USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 501 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 THR OG1 : rot 36:sc= 0.502 USER MOD Single : A 5 GLN :FLIP amide:sc= -1.14 F(o=-2.6,f=-1.1) USER MOD Single : A 20 THR OG1 : rot -74:sc= -1.01 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -115:sc= -2.04! (180deg=-6.64!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 142:sc= -7.17! USER MOD Single : A 44 MET CE :methyl 166:sc= -0.0492 (180deg=-0.419) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.869 F(o=-2.7,f=-0.87) USER MOD Single : A 51 THR OG1 : rot -70:sc= -0.688 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 15:sc= -1.38 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0209 K(o=-0.021,f=-0.67) USER MOD Single : A 79 LYS NZ :NH3+ -111:sc= -0.391 (180deg=-1.32!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 -9.607 1.909 -8.409 1.00 0.00 N ATOM 44 CA THR A 4 -10.224 2.193 -7.123 1.00 0.00 C ATOM 45 C THR A 4 -9.499 1.438 -6.008 1.00 0.00 C ATOM 46 O THR A 4 -8.552 0.698 -6.266 1.00 0.00 O ATOM 47 CB THR A 4 -11.710 1.849 -7.226 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.158 2.576 -8.367 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.527 2.431 -6.070 1.00 0.00 C ATOM 0 HA THR A 4 -10.139 3.249 -6.866 1.00 0.00 H new ATOM 0 HB THR A 4 -11.830 0.766 -7.247 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.448 2.595 -9.042 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.575 2.157 -6.191 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.155 2.034 -5.126 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.433 3.517 -6.069 1.00 0.00 H new ATOM 57 N GLN A 5 -9.973 1.653 -4.788 1.00 0.00 N ATOM 58 CA GLN A 5 -9.384 1.000 -3.631 1.00 0.00 C ATOM 59 C GLN A 5 -9.231 -0.500 -3.887 1.00 0.00 C ATOM 60 O GLN A 5 -8.115 -1.000 -4.021 1.00 0.00 O ATOM 61 CB GLN A 5 -10.215 1.261 -2.373 1.00 0.00 C ATOM 62 CG GLN A 5 -9.536 0.668 -1.136 1.00 0.00 C ATOM 63 CD GLN A 5 -8.499 1.634 -0.564 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.349 1.653 -1.233 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -8.726 2.319 0.421 1.00 0.00 N flip ATOM 0 H GLN A 5 -10.757 2.270 -4.577 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.393 1.422 -3.466 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.351 2.334 -2.239 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.207 0.826 -2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.286 0.443 -0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.055 -0.274 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.631 2.256 0.888 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.011 2.954 0.777 1.00 0.00 H new ATOM 72 N GLU A 6 -10.369 -1.177 -3.948 1.00 0.00 N ATOM 73 CA GLU A 6 -10.375 -2.610 -4.185 1.00 0.00 C ATOM 74 C GLU A 6 -9.512 -2.950 -5.402 1.00 0.00 C ATOM 75 O GLU A 6 -9.067 -4.086 -5.553 1.00 0.00 O ATOM 76 CB GLU A 6 -11.803 -3.130 -4.363 1.00 0.00 C ATOM 77 CG GLU A 6 -12.256 -3.919 -3.132 1.00 0.00 C ATOM 78 CD GLU A 6 -13.718 -3.617 -2.796 1.00 0.00 C ATOM 79 OE1 GLU A 6 -13.992 -2.797 -1.907 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.584 -4.268 -3.496 1.00 0.00 O ATOM 0 H GLU A 6 -11.293 -0.759 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.949 -3.105 -3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.480 -2.293 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.855 -3.766 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.134 -4.987 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.624 -3.667 -2.281 1.00 0.00 H new ATOM 86 N GLU A 7 -9.302 -1.944 -6.239 1.00 0.00 N ATOM 87 CA GLU A 7 -8.500 -2.123 -7.437 1.00 0.00 C ATOM 88 C GLU A 7 -7.016 -2.210 -7.075 1.00 0.00 C ATOM 89 O GLU A 7 -6.293 -3.054 -7.603 1.00 0.00 O ATOM 90 CB GLU A 7 -8.755 -0.996 -8.440 1.00 0.00 C ATOM 91 CG GLU A 7 -9.324 -1.545 -9.750 1.00 0.00 C ATOM 92 CD GLU A 7 -10.617 -2.324 -9.502 1.00 0.00 C ATOM 93 OE1 GLU A 7 -10.792 -3.425 -10.046 1.00 0.00 O ATOM 94 OE2 GLU A 7 -11.457 -1.748 -8.711 1.00 0.00 O ATOM 0 H GLU A 7 -9.673 -1.003 -6.111 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.793 -3.060 -7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.450 -0.274 -8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.825 -0.464 -8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.517 -0.723 -10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.589 -2.195 -10.226 1.00 0.00 H new ATOM 100 N ILE A 8 -6.606 -1.325 -6.177 1.00 0.00 N ATOM 101 CA ILE A 8 -5.222 -1.292 -5.739 1.00 0.00 C ATOM 102 C ILE A 8 -5.067 -2.153 -4.484 1.00 0.00 C ATOM 103 O ILE A 8 -3.958 -2.333 -3.982 1.00 0.00 O ATOM 104 CB ILE A 8 -4.753 0.153 -5.555 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.357 1.067 -6.623 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.226 0.234 -5.527 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.137 2.540 -6.274 1.00 0.00 C ATOM 0 H ILE A 8 -7.208 -0.626 -5.742 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.571 -1.720 -6.501 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.112 0.508 -4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.906 0.848 -7.591 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.425 0.867 -6.716 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.919 1.272 -5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.845 -0.365 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.824 -0.147 -6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.576 3.167 -7.050 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.610 2.762 -5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.068 2.742 -6.206 1.00 0.00 H new ATOM 118 N ILE A 9 -6.195 -2.665 -4.013 1.00 0.00 N ATOM 119 CA ILE A 9 -6.200 -3.503 -2.827 1.00 0.00 C ATOM 120 C ILE A 9 -6.394 -4.963 -3.241 1.00 0.00 C ATOM 121 O ILE A 9 -5.744 -5.857 -2.701 1.00 0.00 O ATOM 122 CB ILE A 9 -7.241 -3.004 -1.823 1.00 0.00 C ATOM 123 CG1 ILE A 9 -6.893 -1.600 -1.323 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.410 -3.997 -0.670 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.466 -1.358 0.075 1.00 0.00 C ATOM 0 H ILE A 9 -7.113 -2.515 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.241 -3.442 -2.313 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.202 -2.935 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.810 -1.475 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.287 -0.856 -2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.155 -3.619 0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.737 -4.959 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.458 -4.121 -0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.204 -0.353 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.551 -1.460 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.052 -2.089 0.770 1.00 0.00 H new ATOM 136 N ALA A 10 -7.291 -5.160 -4.195 1.00 0.00 N ATOM 137 CA ALA A 10 -7.580 -6.497 -4.687 1.00 0.00 C ATOM 138 C ALA A 10 -6.696 -6.789 -5.901 1.00 0.00 C ATOM 139 O ALA A 10 -6.251 -7.920 -6.092 1.00 0.00 O ATOM 140 CB ALA A 10 -9.071 -6.612 -5.009 1.00 0.00 C ATOM 0 H ALA A 10 -7.828 -4.416 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.354 -7.244 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.287 -7.615 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.654 -6.424 -4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.336 -5.880 -5.772 1.00 0.00 H new ATOM 146 N GLY A 11 -6.469 -5.750 -6.692 1.00 0.00 N ATOM 147 CA GLY A 11 -5.648 -5.883 -7.884 1.00 0.00 C ATOM 148 C GLY A 11 -4.181 -6.115 -7.515 1.00 0.00 C ATOM 149 O GLY A 11 -3.511 -6.952 -8.119 1.00 0.00 O ATOM 0 H GLY A 11 -6.839 -4.813 -6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.011 -6.714 -8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.736 -4.983 -8.493 1.00 0.00 H new ATOM 153 N ILE A 12 -3.726 -5.360 -6.526 1.00 0.00 N ATOM 154 CA ILE A 12 -2.350 -5.473 -6.069 1.00 0.00 C ATOM 155 C ILE A 12 -2.203 -6.737 -5.220 1.00 0.00 C ATOM 156 O ILE A 12 -1.336 -7.569 -5.484 1.00 0.00 O ATOM 157 CB ILE A 12 -1.918 -4.194 -5.351 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.874 -3.010 -6.318 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.583 -4.396 -4.630 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.640 -2.141 -6.065 1.00 0.00 C ATOM 0 H ILE A 12 -4.285 -4.667 -6.028 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.673 -5.578 -6.917 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.663 -3.960 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.862 -3.375 -7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.776 -2.409 -6.204 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.298 -3.472 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.684 -5.193 -3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.185 -4.667 -5.355 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.633 -1.306 -6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.668 -1.758 -5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.261 -2.739 -6.204 1.00 0.00 H new ATOM 171 N ALA A 13 -3.062 -6.840 -4.217 1.00 0.00 N ATOM 172 CA ALA A 13 -3.037 -7.989 -3.326 1.00 0.00 C ATOM 173 C ALA A 13 -2.788 -9.257 -4.144 1.00 0.00 C ATOM 174 O ALA A 13 -1.951 -10.081 -3.779 1.00 0.00 O ATOM 175 CB ALA A 13 -4.348 -8.052 -2.538 1.00 0.00 C ATOM 0 H ALA A 13 -3.779 -6.148 -4.001 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.226 -7.898 -2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.330 -8.913 -1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.464 -7.140 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.184 -8.147 -3.230 1.00 0.00 H new ATOM 181 N GLU A 14 -3.530 -9.375 -5.235 1.00 0.00 N ATOM 182 CA GLU A 14 -3.399 -10.530 -6.108 1.00 0.00 C ATOM 183 C GLU A 14 -1.971 -10.630 -6.646 1.00 0.00 C ATOM 184 O GLU A 14 -1.391 -11.715 -6.682 1.00 0.00 O ATOM 185 CB GLU A 14 -4.414 -10.470 -7.252 1.00 0.00 C ATOM 186 CG GLU A 14 -5.771 -11.020 -6.811 1.00 0.00 C ATOM 187 CD GLU A 14 -6.037 -12.390 -7.439 1.00 0.00 C ATOM 188 OE1 GLU A 14 -5.103 -13.189 -7.603 1.00 0.00 O ATOM 189 OE2 GLU A 14 -7.266 -12.613 -7.761 1.00 0.00 O ATOM 0 H GLU A 14 -4.224 -8.690 -5.535 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.610 -11.427 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.527 -9.439 -7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.044 -11.044 -8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.798 -11.102 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.560 -10.325 -7.098 1.00 0.00 H new ATOM 195 N ILE A 15 -1.443 -9.485 -7.050 1.00 0.00 N ATOM 196 CA ILE A 15 -0.093 -9.429 -7.585 1.00 0.00 C ATOM 197 C ILE A 15 0.902 -9.807 -6.485 1.00 0.00 C ATOM 198 O ILE A 15 1.830 -10.578 -6.721 1.00 0.00 O ATOM 199 CB ILE A 15 0.178 -8.062 -8.217 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.630 -7.883 -9.503 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.675 -7.852 -8.447 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.280 -6.563 -10.192 1.00 0.00 C ATOM 0 H ILE A 15 -1.926 -8.587 -7.018 1.00 0.00 H new ATOM 0 HA ILE A 15 0.029 -10.155 -8.389 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.152 -7.292 -7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.432 -8.714 -10.180 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.695 -7.906 -9.273 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.840 -6.873 -8.897 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.201 -7.907 -7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.053 -8.627 -9.115 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.869 -6.461 -11.104 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.502 -5.733 -9.522 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.781 -6.553 -10.442 1.00 0.00 H new ATOM 213 N ILE A 16 0.674 -9.244 -5.306 1.00 0.00 N ATOM 214 CA ILE A 16 1.539 -9.511 -4.170 1.00 0.00 C ATOM 215 C ILE A 16 1.642 -11.023 -3.958 1.00 0.00 C ATOM 216 O ILE A 16 2.677 -11.523 -3.519 1.00 0.00 O ATOM 217 CB ILE A 16 1.052 -8.750 -2.936 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.927 -7.253 -3.229 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.953 -9.025 -1.731 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.582 -6.473 -1.959 1.00 0.00 C ATOM 0 H ILE A 16 -0.097 -8.605 -5.114 1.00 0.00 H new ATOM 0 HA ILE A 16 2.547 -9.146 -4.365 1.00 0.00 H new ATOM 0 HB ILE A 16 0.056 -9.113 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.863 -6.881 -3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.156 -7.089 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.584 -8.472 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.947 -10.092 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.971 -8.708 -1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.499 -5.412 -2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.366 -6.831 -1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.367 -6.619 -1.217 1.00 0.00 H new ATOM 231 N GLU A 17 0.555 -11.709 -4.280 1.00 0.00 N ATOM 232 CA GLU A 17 0.511 -13.154 -4.130 1.00 0.00 C ATOM 233 C GLU A 17 1.284 -13.830 -5.265 1.00 0.00 C ATOM 234 O GLU A 17 1.321 -15.056 -5.352 1.00 0.00 O ATOM 235 CB GLU A 17 -0.933 -13.656 -4.077 1.00 0.00 C ATOM 236 CG GLU A 17 -0.987 -15.131 -3.675 1.00 0.00 C ATOM 237 CD GLU A 17 -1.522 -15.993 -4.820 1.00 0.00 C ATOM 238 OE1 GLU A 17 -2.389 -16.851 -4.598 1.00 0.00 O ATOM 239 OE2 GLU A 17 -1.006 -15.745 -5.977 1.00 0.00 O ATOM 0 H GLU A 17 -0.301 -11.291 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 17 0.988 -13.416 -3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.503 -13.060 -3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.404 -13.524 -5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.010 -15.472 -3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.623 -15.249 -2.798 1.00 0.00 H new ATOM 245 N GLU A 18 1.885 -12.999 -6.104 1.00 0.00 N ATOM 246 CA GLU A 18 2.655 -13.500 -7.230 1.00 0.00 C ATOM 247 C GLU A 18 4.149 -13.267 -6.996 1.00 0.00 C ATOM 248 O GLU A 18 4.964 -14.161 -7.222 1.00 0.00 O ATOM 249 CB GLU A 18 2.199 -12.854 -8.539 1.00 0.00 C ATOM 250 CG GLU A 18 0.696 -13.049 -8.752 1.00 0.00 C ATOM 251 CD GLU A 18 0.425 -13.919 -9.981 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.036 -15.089 -9.840 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.631 -13.340 -11.115 1.00 0.00 O ATOM 0 H GLU A 18 1.854 -11.982 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 18 2.482 -14.573 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.433 -11.789 -8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.748 -13.289 -9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.257 -13.514 -7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.214 -12.079 -8.875 1.00 0.00 H new ATOM 259 N VAL A 19 4.465 -12.063 -6.544 1.00 0.00 N ATOM 260 CA VAL A 19 5.846 -11.701 -6.277 1.00 0.00 C ATOM 261 C VAL A 19 6.272 -12.290 -4.931 1.00 0.00 C ATOM 262 O VAL A 19 7.177 -13.121 -4.870 1.00 0.00 O ATOM 263 CB VAL A 19 6.011 -10.181 -6.343 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.481 -9.797 -6.529 1.00 0.00 C ATOM 265 CG2 VAL A 19 5.145 -9.583 -7.453 1.00 0.00 C ATOM 0 H VAL A 19 3.787 -11.325 -6.356 1.00 0.00 H new ATOM 0 HA VAL A 19 6.504 -12.120 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 19 5.673 -9.766 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.571 -8.712 -6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.065 -10.176 -5.690 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.856 -10.230 -7.457 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.281 -8.502 -7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.439 -10.008 -8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.097 -9.812 -7.260 1.00 0.00 H new ATOM 275 N THR A 20 5.598 -11.837 -3.883 1.00 0.00 N ATOM 276 CA THR A 20 5.894 -12.309 -2.542 1.00 0.00 C ATOM 277 C THR A 20 5.231 -13.665 -2.295 1.00 0.00 C ATOM 278 O THR A 20 5.750 -14.486 -1.540 1.00 0.00 O ATOM 279 CB THR A 20 5.455 -11.228 -1.552 1.00 0.00 C ATOM 280 OG1 THR A 20 4.034 -11.227 -1.648 1.00 0.00 O ATOM 281 CG2 THR A 20 5.860 -9.824 -2.001 1.00 0.00 C ATOM 0 H THR A 20 4.848 -11.148 -3.937 1.00 0.00 H new ATOM 0 HA THR A 20 6.963 -12.477 -2.409 1.00 0.00 H new ATOM 0 HB THR A 20 5.888 -11.434 -0.573 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.763 -10.799 -2.487 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.524 -9.095 -1.263 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.945 -9.771 -2.096 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.400 -9.603 -2.964 1.00 0.00 H new ATOM 289 N GLY A 21 4.092 -13.859 -2.945 1.00 0.00 N ATOM 290 CA GLY A 21 3.353 -15.101 -2.805 1.00 0.00 C ATOM 291 C GLY A 21 2.476 -15.079 -1.551 1.00 0.00 C ATOM 292 O GLY A 21 2.134 -16.129 -1.009 1.00 0.00 O ATOM 0 H GLY A 21 3.664 -13.176 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.731 -15.259 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.049 -15.938 -2.752 1.00 0.00 H new ATOM 296 N ILE A 22 2.136 -13.870 -1.128 1.00 0.00 N ATOM 297 CA ILE A 22 1.305 -13.698 0.052 1.00 0.00 C ATOM 298 C ILE A 22 -0.169 -13.794 -0.349 1.00 0.00 C ATOM 299 O ILE A 22 -0.499 -13.735 -1.532 1.00 0.00 O ATOM 300 CB ILE A 22 1.662 -12.397 0.773 1.00 0.00 C ATOM 301 CG1 ILE A 22 3.088 -12.448 1.325 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.638 -12.074 1.863 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.680 -11.043 1.450 1.00 0.00 C ATOM 0 H ILE A 22 2.420 -13.001 -1.581 1.00 0.00 H new ATOM 0 HA ILE A 22 1.493 -14.496 0.770 1.00 0.00 H new ATOM 0 HB ILE A 22 1.627 -11.585 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.086 -12.934 2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.714 -13.053 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.916 -11.144 2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.349 -11.964 1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.617 -12.883 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.694 -11.109 1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.703 -10.569 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.066 -10.448 2.126 1.00 0.00 H new ATOM 314 N GLU A 23 -1.015 -13.941 0.660 1.00 0.00 N ATOM 315 CA GLU A 23 -2.446 -14.046 0.427 1.00 0.00 C ATOM 316 C GLU A 23 -3.002 -12.711 -0.069 1.00 0.00 C ATOM 317 O GLU A 23 -2.503 -11.649 0.301 1.00 0.00 O ATOM 318 CB GLU A 23 -3.173 -14.507 1.692 1.00 0.00 C ATOM 319 CG GLU A 23 -3.675 -15.945 1.542 1.00 0.00 C ATOM 320 CD GLU A 23 -2.842 -16.908 2.391 1.00 0.00 C ATOM 321 OE1 GLU A 23 -1.724 -17.271 1.998 1.00 0.00 O ATOM 322 OE2 GLU A 23 -3.395 -17.279 3.495 1.00 0.00 O ATOM 0 H GLU A 23 -0.737 -13.990 1.640 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.616 -14.797 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.501 -14.440 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.014 -13.844 1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.721 -16.002 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.627 -16.243 0.495 1.00 0.00 H new ATOM 328 N PRO A 24 -4.057 -12.810 -0.922 1.00 0.00 N ATOM 329 CA PRO A 24 -4.686 -11.621 -1.474 1.00 0.00 C ATOM 330 C PRO A 24 -5.555 -10.925 -0.425 1.00 0.00 C ATOM 331 O PRO A 24 -5.441 -9.717 -0.222 1.00 0.00 O ATOM 332 CB PRO A 24 -5.482 -12.118 -2.670 1.00 0.00 C ATOM 333 CG PRO A 24 -5.645 -13.616 -2.470 1.00 0.00 C ATOM 334 CD PRO A 24 -4.675 -14.050 -1.383 1.00 0.00 C ATOM 0 HA PRO A 24 -3.963 -10.865 -1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.452 -11.624 -2.726 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.960 -11.903 -3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.670 -13.854 -2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.441 -14.149 -3.398 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.193 -14.560 -0.571 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.929 -14.744 -1.771 1.00 0.00 H new ATOM 339 N SER A 25 -6.406 -11.715 0.212 1.00 0.00 N ATOM 340 CA SER A 25 -7.294 -11.189 1.235 1.00 0.00 C ATOM 341 C SER A 25 -6.477 -10.646 2.409 1.00 0.00 C ATOM 342 O SER A 25 -6.944 -9.780 3.147 1.00 0.00 O ATOM 343 CB SER A 25 -8.271 -12.262 1.721 1.00 0.00 C ATOM 344 OG SER A 25 -9.619 -11.797 1.717 1.00 0.00 O ATOM 0 H SER A 25 -6.500 -12.716 0.040 1.00 0.00 H new ATOM 0 HA SER A 25 -7.875 -10.377 0.798 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.189 -13.142 1.084 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.997 -12.572 2.730 1.00 0.00 H new ATOM 0 HG SER A 25 -10.212 -12.511 2.032 1.00 0.00 H new ATOM 349 N GLU A 26 -5.271 -11.177 2.544 1.00 0.00 N ATOM 350 CA GLU A 26 -4.384 -10.755 3.616 1.00 0.00 C ATOM 351 C GLU A 26 -4.037 -9.273 3.466 1.00 0.00 C ATOM 352 O GLU A 26 -4.022 -8.533 4.448 1.00 0.00 O ATOM 353 CB GLU A 26 -3.118 -11.614 3.650 1.00 0.00 C ATOM 354 CG GLU A 26 -2.502 -11.629 5.050 1.00 0.00 C ATOM 355 CD GLU A 26 -1.030 -12.045 4.998 1.00 0.00 C ATOM 356 OE1 GLU A 26 -0.723 -13.196 4.655 1.00 0.00 O ATOM 357 OE2 GLU A 26 -0.191 -11.122 5.327 1.00 0.00 O ATOM 0 H GLU A 26 -4.887 -11.895 1.930 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.902 -10.892 4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.357 -12.632 3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.393 -11.227 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.588 -10.640 5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.056 -12.318 5.687 1.00 0.00 H new ATOM 363 N ILE A 27 -3.766 -8.884 2.229 1.00 0.00 N ATOM 364 CA ILE A 27 -3.419 -7.502 1.938 1.00 0.00 C ATOM 365 C ILE A 27 -4.590 -6.596 2.324 1.00 0.00 C ATOM 366 O ILE A 27 -5.734 -6.860 1.955 1.00 0.00 O ATOM 367 CB ILE A 27 -2.984 -7.356 0.479 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.518 -7.757 0.301 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.258 -5.942 -0.036 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.151 -8.917 1.228 1.00 0.00 C ATOM 0 H ILE A 27 -3.779 -9.501 1.417 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.562 -7.189 2.535 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.580 -8.040 -0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.339 -8.044 -0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.875 -6.902 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.939 -5.865 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.325 -5.730 0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.705 -5.222 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.104 -9.182 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.308 -8.618 2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.779 -9.778 0.999 1.00 0.00 H new ATOM 381 N THR A 28 -4.264 -5.546 3.063 1.00 0.00 N ATOM 382 CA THR A 28 -5.274 -4.598 3.503 1.00 0.00 C ATOM 383 C THR A 28 -4.730 -3.170 3.439 1.00 0.00 C ATOM 384 O THR A 28 -3.524 -2.967 3.311 1.00 0.00 O ATOM 385 CB THR A 28 -5.731 -5.012 4.905 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.567 -5.583 5.495 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.738 -6.163 4.875 1.00 0.00 C ATOM 0 H THR A 28 -3.315 -5.331 3.368 1.00 0.00 H new ATOM 0 HA THR A 28 -6.142 -4.611 2.844 1.00 0.00 H new ATOM 0 HB THR A 28 -6.175 -4.155 5.411 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.773 -5.877 6.407 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.030 -6.418 5.894 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.620 -5.860 4.310 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.283 -7.032 4.400 1.00 0.00 H new ATOM 395 N PRO A 29 -5.670 -2.192 3.534 1.00 0.00 N ATOM 396 CA PRO A 29 -5.297 -0.789 3.487 1.00 0.00 C ATOM 397 C PRO A 29 -4.656 -0.348 4.805 1.00 0.00 C ATOM 398 O PRO A 29 -4.920 0.751 5.292 1.00 0.00 O ATOM 399 CB PRO A 29 -6.587 -0.048 3.178 1.00 0.00 C ATOM 400 CG PRO A 29 -7.713 -1.011 3.522 1.00 0.00 C ATOM 401 CD PRO A 29 -7.108 -2.395 3.687 1.00 0.00 C ATOM 0 HA PRO A 29 -4.542 -0.580 2.729 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.662 0.867 3.766 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.629 0.243 2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.213 -0.701 4.439 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.466 -1.015 2.734 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.347 -2.818 4.663 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.492 -3.087 2.938 1.00 0.00 H new ATOM 406 N GLU A 30 -3.826 -1.227 5.346 1.00 0.00 N ATOM 407 CA GLU A 30 -3.145 -0.942 6.597 1.00 0.00 C ATOM 408 C GLU A 30 -1.690 -1.412 6.529 1.00 0.00 C ATOM 409 O GLU A 30 -0.986 -1.412 7.538 1.00 0.00 O ATOM 410 CB GLU A 30 -3.875 -1.588 7.777 1.00 0.00 C ATOM 411 CG GLU A 30 -5.306 -1.060 7.892 1.00 0.00 C ATOM 412 CD GLU A 30 -5.502 -0.284 9.196 1.00 0.00 C ATOM 413 OE1 GLU A 30 -5.003 0.843 9.328 1.00 0.00 O ATOM 414 OE2 GLU A 30 -6.203 -0.893 10.092 1.00 0.00 O ATOM 0 H GLU A 30 -3.610 -2.138 4.941 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.151 0.137 6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.892 -2.670 7.650 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.333 -1.384 8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.528 -0.413 7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.009 -1.892 7.851 1.00 0.00 H new ATOM 420 N LYS A 31 -1.283 -1.800 5.329 1.00 0.00 N ATOM 421 CA LYS A 31 0.075 -2.271 5.117 1.00 0.00 C ATOM 422 C LYS A 31 1.045 -1.096 5.256 1.00 0.00 C ATOM 423 O LYS A 31 0.625 0.060 5.290 1.00 0.00 O ATOM 424 CB LYS A 31 0.185 -3.002 3.777 1.00 0.00 C ATOM 425 CG LYS A 31 -0.727 -4.231 3.748 1.00 0.00 C ATOM 426 CD LYS A 31 0.083 -5.511 3.535 1.00 0.00 C ATOM 427 CE LYS A 31 -0.243 -6.551 4.607 1.00 0.00 C ATOM 428 NZ LYS A 31 0.981 -7.273 5.019 1.00 0.00 N ATOM 0 H LYS A 31 -1.869 -1.798 4.494 1.00 0.00 H new ATOM 0 HA LYS A 31 0.347 -3.003 5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.084 -2.325 2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.218 -3.307 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.281 -4.299 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.461 -4.124 2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.132 -5.921 2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.148 -5.280 3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.692 -6.062 5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.978 -7.259 4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.901 -8.274 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.807 -6.853 4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.097 -7.200 6.050 1.00 0.00 H new ATOM 437 N SER A 32 2.325 -1.432 5.334 1.00 0.00 N ATOM 438 CA SER A 32 3.358 -0.419 5.469 1.00 0.00 C ATOM 439 C SER A 32 4.448 -0.639 4.419 1.00 0.00 C ATOM 440 O SER A 32 5.519 -0.041 4.496 1.00 0.00 O ATOM 441 CB SER A 32 3.963 -0.434 6.875 1.00 0.00 C ATOM 442 OG SER A 32 4.186 0.881 7.374 1.00 0.00 O ATOM 0 H SER A 32 2.670 -2.392 5.306 1.00 0.00 H new ATOM 0 HA SER A 32 2.902 0.558 5.309 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.296 -0.970 7.551 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.906 -0.980 6.858 1.00 0.00 H new ATOM 0 HG SER A 32 4.571 0.829 8.274 1.00 0.00 H new ATOM 447 N PHE A 33 4.136 -1.501 3.462 1.00 0.00 N ATOM 448 CA PHE A 33 5.076 -1.809 2.398 1.00 0.00 C ATOM 449 C PHE A 33 6.132 -2.811 2.870 1.00 0.00 C ATOM 450 O PHE A 33 6.562 -3.673 2.105 1.00 0.00 O ATOM 451 CB PHE A 33 5.768 -0.498 2.019 1.00 0.00 C ATOM 452 CG PHE A 33 6.013 -0.333 0.518 1.00 0.00 C ATOM 453 CD1 PHE A 33 5.053 0.220 -0.270 1.00 0.00 C ATOM 454 CD2 PHE A 33 7.190 -0.741 -0.028 1.00 0.00 C ATOM 455 CE1 PHE A 33 5.279 0.372 -1.664 1.00 0.00 C ATOM 456 CE2 PHE A 33 7.417 -0.588 -1.422 1.00 0.00 C ATOM 457 CZ PHE A 33 6.456 -0.035 -2.210 1.00 0.00 C ATOM 0 H PHE A 33 3.246 -1.995 3.401 1.00 0.00 H new ATOM 0 HA PHE A 33 4.548 -2.250 1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.161 0.336 2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.723 -0.440 2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.119 0.544 0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.952 -1.181 0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.516 0.811 -2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.352 -0.911 -1.856 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.628 0.081 -3.270 1.00 0.00 H new ATOM 466 N VAL A 34 6.519 -2.665 4.129 1.00 0.00 N ATOM 467 CA VAL A 34 7.516 -3.546 4.713 1.00 0.00 C ATOM 468 C VAL A 34 7.068 -3.956 6.118 1.00 0.00 C ATOM 469 O VAL A 34 6.944 -5.144 6.412 1.00 0.00 O ATOM 470 CB VAL A 34 8.887 -2.869 4.696 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.563 -2.966 6.064 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.777 -3.461 3.601 1.00 0.00 C ATOM 0 H VAL A 34 6.160 -1.949 4.761 1.00 0.00 H new ATOM 0 HA VAL A 34 7.612 -4.458 4.124 1.00 0.00 H new ATOM 0 HB VAL A 34 8.737 -1.813 4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.536 -2.477 6.024 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.941 -2.476 6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.695 -4.014 6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.746 -2.962 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.916 -4.527 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.304 -3.316 2.630 1.00 0.00 H new ATOM 482 N ASP A 35 6.838 -2.949 6.948 1.00 0.00 N ATOM 483 CA ASP A 35 6.407 -3.189 8.314 1.00 0.00 C ATOM 484 C ASP A 35 5.415 -4.353 8.335 1.00 0.00 C ATOM 485 O ASP A 35 5.342 -5.095 9.313 1.00 0.00 O ATOM 486 CB ASP A 35 5.703 -1.960 8.894 1.00 0.00 C ATOM 487 CG ASP A 35 5.782 -1.829 10.416 1.00 0.00 C ATOM 488 OD1 ASP A 35 4.778 -1.998 11.124 1.00 0.00 O ATOM 489 OD2 ASP A 35 6.949 -1.535 10.879 1.00 0.00 O ATOM 0 H ASP A 35 6.942 -1.965 6.700 1.00 0.00 H new ATOM 0 HA ASP A 35 7.291 -3.415 8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.135 -1.066 8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.654 -1.989 8.601 1.00 0.00 H new ATOM 494 N ASP A 36 4.677 -4.480 7.242 1.00 0.00 N ATOM 495 CA ASP A 36 3.693 -5.542 7.122 1.00 0.00 C ATOM 496 C ASP A 36 4.224 -6.619 6.174 1.00 0.00 C ATOM 497 O ASP A 36 4.508 -7.739 6.598 1.00 0.00 O ATOM 498 CB ASP A 36 2.378 -5.013 6.547 1.00 0.00 C ATOM 499 CG ASP A 36 1.133 -5.333 7.377 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.304 -4.450 7.649 1.00 0.00 O ATOM 501 OD2 ASP A 36 1.031 -6.561 7.756 1.00 0.00 O ATOM 0 H ASP A 36 4.741 -3.865 6.431 1.00 0.00 H new ATOM 0 HA ASP A 36 3.513 -5.949 8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.456 -3.931 6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.245 -5.425 5.547 1.00 0.00 H new ATOM 506 N LEU A 37 4.344 -6.243 4.909 1.00 0.00 N ATOM 507 CA LEU A 37 4.835 -7.162 3.898 1.00 0.00 C ATOM 508 C LEU A 37 6.023 -7.946 4.461 1.00 0.00 C ATOM 509 O LEU A 37 6.017 -9.176 4.456 1.00 0.00 O ATOM 510 CB LEU A 37 5.153 -6.413 2.602 1.00 0.00 C ATOM 511 CG LEU A 37 3.951 -5.855 1.838 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.400 -5.098 0.586 1.00 0.00 C ATOM 513 CD2 LEU A 37 2.949 -6.963 1.508 1.00 0.00 C ATOM 0 H LEU A 37 4.109 -5.313 4.562 1.00 0.00 H new ATOM 0 HA LEU A 37 4.065 -7.889 3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.824 -5.587 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.698 -7.087 1.941 1.00 0.00 H new ATOM 0 HG LEU A 37 3.440 -5.139 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.526 -4.712 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.046 -4.269 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.948 -5.774 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.104 -6.540 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.434 -7.720 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.594 -7.420 2.432 1.00 0.00 H new ATOM 524 N ASP A 38 7.011 -7.201 4.935 1.00 0.00 N ATOM 525 CA ASP A 38 8.202 -7.812 5.502 1.00 0.00 C ATOM 526 C ASP A 38 9.000 -8.492 4.388 1.00 0.00 C ATOM 527 O ASP A 38 9.931 -9.249 4.661 1.00 0.00 O ATOM 528 CB ASP A 38 7.835 -8.875 6.539 1.00 0.00 C ATOM 529 CG ASP A 38 8.766 -8.942 7.753 1.00 0.00 C ATOM 530 OD1 ASP A 38 8.400 -8.524 8.861 1.00 0.00 O ATOM 531 OD2 ASP A 38 9.925 -9.458 7.523 1.00 0.00 O ATOM 0 H ASP A 38 7.012 -6.181 4.938 1.00 0.00 H new ATOM 0 HA ASP A 38 8.788 -7.028 5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.820 -8.685 6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.827 -9.850 6.051 1.00 0.00 H new ATOM 536 N ILE A 39 8.607 -8.198 3.158 1.00 0.00 N ATOM 537 CA ILE A 39 9.274 -8.772 2.001 1.00 0.00 C ATOM 538 C ILE A 39 10.363 -7.812 1.518 1.00 0.00 C ATOM 539 O ILE A 39 11.217 -8.190 0.718 1.00 0.00 O ATOM 540 CB ILE A 39 8.254 -9.139 0.922 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.693 -10.388 0.155 1.00 0.00 C ATOM 542 CG2 ILE A 39 7.994 -7.956 -0.012 1.00 0.00 C ATOM 543 CD1 ILE A 39 10.048 -10.168 -0.522 1.00 0.00 C ATOM 0 H ILE A 39 7.835 -7.570 2.937 1.00 0.00 H new ATOM 0 HA ILE A 39 9.768 -9.706 2.270 1.00 0.00 H new ATOM 0 HB ILE A 39 7.310 -9.376 1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.757 -11.235 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.944 -10.640 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.265 -8.244 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.606 -7.116 0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.925 -7.664 -0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.337 -11.071 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.974 -9.336 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.800 -9.940 0.234 1.00 0.00 H new ATOM 554 N ASP A 40 10.297 -6.589 2.024 1.00 0.00 N ATOM 555 CA ASP A 40 11.267 -5.573 1.653 1.00 0.00 C ATOM 556 C ASP A 40 10.777 -4.838 0.403 1.00 0.00 C ATOM 557 O ASP A 40 9.643 -5.034 -0.032 1.00 0.00 O ATOM 558 CB ASP A 40 12.626 -6.198 1.332 1.00 0.00 C ATOM 559 CG ASP A 40 13.831 -5.294 1.592 1.00 0.00 C ATOM 560 OD1 ASP A 40 13.728 -4.280 2.299 1.00 0.00 O ATOM 561 OD2 ASP A 40 14.928 -5.672 1.028 1.00 0.00 O ATOM 0 H ASP A 40 9.587 -6.279 2.688 1.00 0.00 H new ATOM 0 HA ASP A 40 11.376 -4.888 2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.739 -7.107 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.634 -6.495 0.283 1.00 0.00 H new ATOM 566 N SER A 41 11.656 -4.009 -0.138 1.00 0.00 N ATOM 567 CA SER A 41 11.327 -3.244 -1.330 1.00 0.00 C ATOM 568 C SER A 41 11.727 -4.028 -2.581 1.00 0.00 C ATOM 569 O SER A 41 11.510 -3.568 -3.701 1.00 0.00 O ATOM 570 CB SER A 41 12.017 -1.878 -1.315 1.00 0.00 C ATOM 571 OG SER A 41 13.435 -1.995 -1.382 1.00 0.00 O ATOM 0 H SER A 41 12.595 -3.849 0.226 1.00 0.00 H new ATOM 0 HA SER A 41 10.250 -3.076 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.662 -1.284 -2.157 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.740 -1.342 -0.407 1.00 0.00 H new ATOM 0 HG SER A 41 13.838 -1.102 -1.372 1.00 0.00 H new ATOM 576 N LEU A 42 12.304 -5.198 -2.349 1.00 0.00 N ATOM 577 CA LEU A 42 12.737 -6.049 -3.444 1.00 0.00 C ATOM 578 C LEU A 42 11.512 -6.531 -4.224 1.00 0.00 C ATOM 579 O LEU A 42 11.312 -6.143 -5.374 1.00 0.00 O ATOM 580 CB LEU A 42 13.620 -7.185 -2.923 1.00 0.00 C ATOM 581 CG LEU A 42 14.997 -7.318 -3.576 1.00 0.00 C ATOM 582 CD1 LEU A 42 16.060 -7.700 -2.544 1.00 0.00 C ATOM 583 CD2 LEU A 42 14.956 -8.302 -4.747 1.00 0.00 C ATOM 0 H LEU A 42 12.482 -5.577 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 42 13.359 -5.487 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.760 -7.047 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.084 -8.125 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 42 15.277 -6.346 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 42 17.029 -7.788 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 42 16.112 -6.931 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.797 -8.654 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 42 15.948 -8.378 -5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.644 -9.283 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.247 -7.947 -5.496 1.00 0.00 H new ATOM 594 N SER A 43 10.724 -7.370 -3.567 1.00 0.00 N ATOM 595 CA SER A 43 9.524 -7.908 -4.185 1.00 0.00 C ATOM 596 C SER A 43 8.539 -6.778 -4.485 1.00 0.00 C ATOM 597 O SER A 43 7.992 -6.702 -5.585 1.00 0.00 O ATOM 598 CB SER A 43 8.870 -8.961 -3.289 1.00 0.00 C ATOM 599 OG SER A 43 7.867 -9.702 -3.980 1.00 0.00 O ATOM 0 H SER A 43 10.893 -7.690 -2.613 1.00 0.00 H new ATOM 0 HA SER A 43 9.806 -8.391 -5.120 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.633 -9.644 -2.916 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.427 -8.473 -2.421 1.00 0.00 H new ATOM 0 HG SER A 43 7.901 -10.640 -3.698 1.00 0.00 H new ATOM 604 N MET A 44 8.340 -5.928 -3.489 1.00 0.00 N ATOM 605 CA MET A 44 7.429 -4.806 -3.632 1.00 0.00 C ATOM 606 C MET A 44 7.696 -4.045 -4.932 1.00 0.00 C ATOM 607 O MET A 44 6.772 -3.518 -5.550 1.00 0.00 O ATOM 608 CB MET A 44 7.594 -3.857 -2.443 1.00 0.00 C ATOM 609 CG MET A 44 6.555 -4.151 -1.359 1.00 0.00 C ATOM 610 SD MET A 44 5.329 -2.854 -1.323 1.00 0.00 S ATOM 611 CE MET A 44 4.116 -3.542 -2.438 1.00 0.00 C ATOM 0 H MET A 44 8.795 -5.994 -2.578 1.00 0.00 H new ATOM 0 HA MET A 44 6.410 -5.192 -3.661 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.597 -3.959 -2.028 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.492 -2.825 -2.780 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.076 -5.111 -1.553 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.043 -4.229 -0.387 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.181 -2.990 -2.343 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.480 -3.467 -3.463 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.946 -4.590 -2.189 1.00 0.00 H new ATOM 619 N VAL A 45 8.967 -4.011 -5.310 1.00 0.00 N ATOM 620 CA VAL A 45 9.368 -3.324 -6.526 1.00 0.00 C ATOM 621 C VAL A 45 8.691 -3.985 -7.728 1.00 0.00 C ATOM 622 O VAL A 45 8.349 -3.313 -8.700 1.00 0.00 O ATOM 623 CB VAL A 45 10.894 -3.302 -6.635 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.348 -3.716 -8.037 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.451 -1.928 -6.261 1.00 0.00 C ATOM 0 H VAL A 45 9.731 -4.448 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 45 9.042 -2.284 -6.502 1.00 0.00 H new ATOM 0 HB VAL A 45 11.292 -4.028 -5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.437 -3.692 -8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.996 -4.726 -8.250 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.935 -3.025 -8.772 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.538 -1.940 -6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.042 -1.174 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.171 -1.689 -5.235 1.00 0.00 H new ATOM 635 N GLU A 46 8.518 -5.295 -7.623 1.00 0.00 N ATOM 636 CA GLU A 46 7.889 -6.054 -8.689 1.00 0.00 C ATOM 637 C GLU A 46 6.383 -5.781 -8.719 1.00 0.00 C ATOM 638 O GLU A 46 5.839 -5.400 -9.754 1.00 0.00 O ATOM 639 CB GLU A 46 8.171 -7.550 -8.537 1.00 0.00 C ATOM 640 CG GLU A 46 8.951 -8.086 -9.740 1.00 0.00 C ATOM 641 CD GLU A 46 10.330 -8.595 -9.316 1.00 0.00 C ATOM 642 OE1 GLU A 46 11.188 -7.797 -8.911 1.00 0.00 O ATOM 643 OE2 GLU A 46 10.495 -9.870 -9.417 1.00 0.00 O ATOM 0 H GLU A 46 8.803 -5.849 -6.816 1.00 0.00 H new ATOM 0 HA GLU A 46 8.316 -5.731 -9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.739 -7.726 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.231 -8.093 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.390 -8.893 -10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.063 -7.299 -10.485 1.00 0.00 H new ATOM 649 N ILE A 47 5.754 -5.986 -7.571 1.00 0.00 N ATOM 650 CA ILE A 47 4.323 -5.766 -7.452 1.00 0.00 C ATOM 651 C ILE A 47 3.940 -4.501 -8.223 1.00 0.00 C ATOM 652 O ILE A 47 2.965 -4.499 -8.972 1.00 0.00 O ATOM 653 CB ILE A 47 3.906 -5.739 -5.980 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.730 -7.158 -5.434 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.649 -4.889 -5.783 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.354 -7.292 -4.044 1.00 0.00 C ATOM 0 H ILE A 47 6.209 -6.302 -6.715 1.00 0.00 H new ATOM 0 HA ILE A 47 3.772 -6.592 -7.901 1.00 0.00 H new ATOM 0 HB ILE A 47 4.705 -5.270 -5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.669 -7.404 -5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.192 -7.873 -6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.373 -4.886 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.845 -3.868 -6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.831 -5.307 -6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.215 -8.310 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.419 -7.069 -4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.873 -6.593 -3.360 1.00 0.00 H new ATOM 667 N ALA A 48 4.728 -3.457 -8.013 1.00 0.00 N ATOM 668 CA ALA A 48 4.484 -2.189 -8.679 1.00 0.00 C ATOM 669 C ALA A 48 4.831 -2.323 -10.163 1.00 0.00 C ATOM 670 O ALA A 48 4.065 -1.891 -11.024 1.00 0.00 O ATOM 671 CB ALA A 48 5.289 -1.086 -7.988 1.00 0.00 C ATOM 0 H ALA A 48 5.536 -3.463 -7.391 1.00 0.00 H new ATOM 0 HA ALA A 48 3.431 -1.915 -8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.106 -0.135 -8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.984 -1.012 -6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.351 -1.324 -8.039 1.00 0.00 H new ATOM 677 N VAL A 49 5.984 -2.922 -10.416 1.00 0.00 N ATOM 678 CA VAL A 49 6.443 -3.118 -11.782 1.00 0.00 C ATOM 679 C VAL A 49 5.307 -3.715 -12.615 1.00 0.00 C ATOM 680 O VAL A 49 5.251 -3.516 -13.827 1.00 0.00 O ATOM 681 CB VAL A 49 7.708 -3.977 -11.791 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.390 -5.416 -12.204 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.777 -3.369 -12.701 1.00 0.00 C ATOM 0 H VAL A 49 6.615 -3.279 -9.699 1.00 0.00 H new ATOM 0 HA VAL A 49 6.712 -2.164 -12.236 1.00 0.00 H new ATOM 0 HB VAL A 49 8.105 -3.999 -10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.307 -6.006 -12.202 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.679 -5.848 -11.500 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.958 -5.420 -13.205 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.666 -3.999 -12.689 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.393 -3.302 -13.719 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.034 -2.372 -12.344 1.00 0.00 H new ATOM 693 N GLN A 50 4.430 -4.435 -11.931 1.00 0.00 N ATOM 694 CA GLN A 50 3.299 -5.064 -12.594 1.00 0.00 C ATOM 695 C GLN A 50 2.117 -4.096 -12.658 1.00 0.00 C ATOM 696 O GLN A 50 1.652 -3.750 -13.743 1.00 0.00 O ATOM 697 CB GLN A 50 2.905 -6.364 -11.890 1.00 0.00 C ATOM 698 CG GLN A 50 4.079 -7.346 -11.853 1.00 0.00 C ATOM 699 CD GLN A 50 3.626 -8.723 -11.365 1.00 0.00 C ATOM 700 OE1 GLN A 50 4.139 -9.076 -10.190 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 2.861 -9.418 -12.012 1.00 0.00 N flip ATOM 0 H GLN A 50 4.479 -4.597 -10.925 1.00 0.00 H new ATOM 0 HA GLN A 50 3.593 -5.316 -13.613 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.576 -6.146 -10.874 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.061 -6.820 -12.407 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.516 -7.434 -12.848 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.859 -6.962 -11.196 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.504 -9.086 -12.908 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.578 -10.332 -11.657 1.00 0.00 H new ATOM 708 N THR A 51 1.665 -3.684 -11.483 1.00 0.00 N ATOM 709 CA THR A 51 0.545 -2.762 -11.392 1.00 0.00 C ATOM 710 C THR A 51 0.790 -1.538 -12.277 1.00 0.00 C ATOM 711 O THR A 51 -0.133 -1.034 -12.915 1.00 0.00 O ATOM 712 CB THR A 51 0.337 -2.414 -9.917 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.552 -3.422 -9.444 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.441 -1.111 -9.727 1.00 0.00 C ATOM 0 H THR A 51 2.054 -3.972 -10.585 1.00 0.00 H new ATOM 0 HA THR A 51 -0.373 -3.216 -11.765 1.00 0.00 H new ATOM 0 HB THR A 51 1.305 -2.333 -9.423 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.440 -3.285 -9.835 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.561 -0.911 -8.662 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.105 -0.290 -10.191 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.423 -1.202 -10.192 1.00 0.00 H new ATOM 722 N GLU A 52 2.039 -1.094 -12.287 1.00 0.00 N ATOM 723 CA GLU A 52 2.417 0.061 -13.083 1.00 0.00 C ATOM 724 C GLU A 52 2.464 -0.309 -14.566 1.00 0.00 C ATOM 725 O GLU A 52 2.711 0.546 -15.415 1.00 0.00 O ATOM 726 CB GLU A 52 3.757 0.632 -12.617 1.00 0.00 C ATOM 727 CG GLU A 52 3.611 1.353 -11.276 1.00 0.00 C ATOM 728 CD GLU A 52 4.843 1.133 -10.396 1.00 0.00 C ATOM 729 OE1 GLU A 52 5.854 0.593 -10.870 1.00 0.00 O ATOM 730 OE2 GLU A 52 4.727 1.547 -9.181 1.00 0.00 O ATOM 0 H GLU A 52 2.802 -1.514 -11.756 1.00 0.00 H new ATOM 0 HA GLU A 52 1.662 0.835 -12.946 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.486 -0.173 -12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.141 1.325 -13.366 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.468 2.420 -11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.722 0.991 -10.760 1.00 0.00 H new ATOM 736 N ASP A 53 2.222 -1.585 -14.833 1.00 0.00 N ATOM 737 CA ASP A 53 2.234 -2.077 -16.200 1.00 0.00 C ATOM 738 C ASP A 53 0.835 -2.575 -16.570 1.00 0.00 C ATOM 739 O ASP A 53 0.192 -2.024 -17.462 1.00 0.00 O ATOM 740 CB ASP A 53 3.208 -3.247 -16.355 1.00 0.00 C ATOM 741 CG ASP A 53 4.198 -3.114 -17.513 1.00 0.00 C ATOM 742 OD1 ASP A 53 3.816 -2.786 -18.646 1.00 0.00 O ATOM 743 OD2 ASP A 53 5.427 -3.369 -17.212 1.00 0.00 O ATOM 0 H ASP A 53 2.017 -2.292 -14.127 1.00 0.00 H new ATOM 0 HA ASP A 53 2.545 -1.260 -16.850 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.770 -3.358 -15.427 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.633 -4.163 -16.491 1.00 0.00 H new ATOM 748 N LYS A 54 0.404 -3.611 -15.865 1.00 0.00 N ATOM 749 CA LYS A 54 -0.907 -4.188 -16.109 1.00 0.00 C ATOM 750 C LYS A 54 -1.932 -3.064 -16.269 1.00 0.00 C ATOM 751 O LYS A 54 -2.809 -3.137 -17.130 1.00 0.00 O ATOM 752 CB LYS A 54 -1.262 -5.193 -15.011 1.00 0.00 C ATOM 753 CG LYS A 54 -0.831 -6.609 -15.403 1.00 0.00 C ATOM 754 CD LYS A 54 -1.205 -7.616 -14.314 1.00 0.00 C ATOM 755 CE LYS A 54 -0.521 -8.963 -14.555 1.00 0.00 C ATOM 756 NZ LYS A 54 -1.457 -10.076 -14.284 1.00 0.00 N ATOM 0 H LYS A 54 0.939 -4.065 -15.125 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.907 -4.755 -17.040 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.775 -4.906 -14.079 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.336 -5.173 -14.829 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.306 -6.891 -16.343 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.246 -6.632 -15.571 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.915 -7.226 -13.338 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.286 -7.751 -14.295 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.168 -9.019 -15.585 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.355 -9.053 -13.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.976 -10.983 -14.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.773 -10.031 -13.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.281 -9.998 -14.914 1.00 0.00 H new ATOM 765 N TYR A 55 -1.790 -2.052 -15.427 1.00 0.00 N ATOM 766 CA TYR A 55 -2.694 -0.915 -15.465 1.00 0.00 C ATOM 767 C TYR A 55 -2.024 0.296 -16.118 1.00 0.00 C ATOM 768 O TYR A 55 -2.637 0.985 -16.932 1.00 0.00 O ATOM 769 CB TYR A 55 -3.012 -0.581 -14.006 1.00 0.00 C ATOM 770 CG TYR A 55 -4.423 -0.981 -13.570 1.00 0.00 C ATOM 771 CD1 TYR A 55 -4.786 -2.312 -13.546 1.00 0.00 C ATOM 772 CD2 TYR A 55 -5.332 -0.010 -13.201 1.00 0.00 C ATOM 773 CE1 TYR A 55 -6.115 -2.688 -13.136 1.00 0.00 C ATOM 774 CE2 TYR A 55 -6.660 -0.387 -12.790 1.00 0.00 C ATOM 775 CZ TYR A 55 -6.986 -1.707 -12.779 1.00 0.00 C ATOM 776 OH TYR A 55 -8.240 -2.063 -12.391 1.00 0.00 O ATOM 0 H TYR A 55 -1.063 -1.995 -14.714 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.586 -1.153 -16.044 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.288 -1.082 -13.363 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.886 0.491 -13.853 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.074 -3.071 -13.834 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.048 1.032 -13.220 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.413 -3.726 -13.113 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.381 0.362 -12.497 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.263 -3.024 -12.201 1.00 0.00 H new ATOM 785 N GLY A 56 -0.774 0.518 -15.736 1.00 0.00 N ATOM 786 CA GLY A 56 -0.015 1.634 -16.275 1.00 0.00 C ATOM 787 C GLY A 56 0.063 2.782 -15.266 1.00 0.00 C ATOM 788 O GLY A 56 0.553 3.863 -15.587 1.00 0.00 O ATOM 0 H GLY A 56 -0.269 -0.055 -15.061 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.991 1.303 -16.534 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.482 1.985 -17.195 1.00 0.00 H new ATOM 792 N VAL A 57 -0.427 2.506 -14.066 1.00 0.00 N ATOM 793 CA VAL A 57 -0.419 3.503 -13.008 1.00 0.00 C ATOM 794 C VAL A 57 0.936 4.215 -12.995 1.00 0.00 C ATOM 795 O VAL A 57 1.955 3.625 -13.350 1.00 0.00 O ATOM 796 CB VAL A 57 -0.762 2.847 -11.669 1.00 0.00 C ATOM 797 CG1 VAL A 57 -2.081 2.077 -11.758 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.373 1.936 -11.197 1.00 0.00 C ATOM 0 H VAL A 57 -0.832 1.607 -13.803 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.183 4.259 -13.190 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.885 3.639 -10.930 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.302 1.620 -10.793 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.885 2.762 -12.027 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.998 1.299 -12.517 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.103 1.483 -10.243 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.542 1.153 -11.936 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.284 2.523 -11.075 1.00 0.00 H new ATOM 808 N LYS A 58 0.902 5.473 -12.581 1.00 0.00 N ATOM 809 CA LYS A 58 2.114 6.272 -12.517 1.00 0.00 C ATOM 810 C LYS A 58 2.670 6.235 -11.092 1.00 0.00 C ATOM 811 O LYS A 58 2.224 6.987 -10.228 1.00 0.00 O ATOM 812 CB LYS A 58 1.851 7.687 -13.037 1.00 0.00 C ATOM 813 CG LYS A 58 0.907 8.449 -12.104 1.00 0.00 C ATOM 814 CD LYS A 58 -0.075 9.310 -12.901 1.00 0.00 C ATOM 815 CE LYS A 58 -1.269 8.481 -13.379 1.00 0.00 C ATOM 816 NZ LYS A 58 -2.026 9.215 -14.416 1.00 0.00 N ATOM 0 H LYS A 58 0.055 5.959 -12.287 1.00 0.00 H new ATOM 0 HA LYS A 58 2.880 5.854 -13.170 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.794 8.227 -13.126 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.418 7.636 -14.036 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.356 7.743 -11.483 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.487 9.081 -11.431 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.426 10.136 -12.282 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.434 9.749 -13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.921 7.529 -13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.922 8.253 -12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.833 8.639 -14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.374 10.112 -14.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.404 9.411 -15.226 1.00 0.00 H new ATOM 825 N ILE A 59 3.635 5.350 -10.892 1.00 0.00 N ATOM 826 CA ILE A 59 4.257 5.204 -9.586 1.00 0.00 C ATOM 827 C ILE A 59 5.729 4.829 -9.767 1.00 0.00 C ATOM 828 O ILE A 59 6.112 3.680 -9.551 1.00 0.00 O ATOM 829 CB ILE A 59 3.471 4.212 -8.726 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.059 4.731 -8.442 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.229 3.880 -7.440 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.305 3.785 -7.507 1.00 0.00 C ATOM 0 H ILE A 59 4.002 4.727 -11.611 1.00 0.00 H new ATOM 0 HA ILE A 59 4.232 6.149 -9.044 1.00 0.00 H new ATOM 0 HB ILE A 59 3.366 3.283 -9.286 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.116 5.723 -7.993 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.511 4.836 -9.378 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.648 3.173 -6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.193 3.438 -7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.387 4.792 -6.865 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.305 4.177 -7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.229 2.801 -7.969 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.843 3.702 -6.563 1.00 0.00 H new ATOM 843 N PRO A 60 6.536 5.847 -10.170 1.00 0.00 N ATOM 844 CA PRO A 60 7.958 5.635 -10.380 1.00 0.00 C ATOM 845 C PRO A 60 8.700 5.529 -9.047 1.00 0.00 C ATOM 846 O PRO A 60 8.133 5.806 -7.992 1.00 0.00 O ATOM 847 CB PRO A 60 8.410 6.819 -11.220 1.00 0.00 C ATOM 848 CG PRO A 60 7.336 7.881 -11.056 1.00 0.00 C ATOM 849 CD PRO A 60 6.118 7.220 -10.434 1.00 0.00 C ATOM 0 HA PRO A 60 8.173 4.696 -10.889 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.379 7.189 -10.884 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.522 6.535 -12.266 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.695 8.692 -10.423 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.082 8.319 -12.021 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.818 7.726 -9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.263 7.251 -11.109 1.00 0.00 H new ATOM 854 N ASP A 61 9.960 5.127 -9.138 1.00 0.00 N ATOM 855 CA ASP A 61 10.787 4.981 -7.952 1.00 0.00 C ATOM 856 C ASP A 61 10.836 6.314 -7.203 1.00 0.00 C ATOM 857 O ASP A 61 10.780 6.342 -5.975 1.00 0.00 O ATOM 858 CB ASP A 61 12.220 4.593 -8.324 1.00 0.00 C ATOM 859 CG ASP A 61 12.579 3.128 -8.071 1.00 0.00 C ATOM 860 OD1 ASP A 61 12.366 2.259 -8.930 1.00 0.00 O ATOM 861 OD2 ASP A 61 13.107 2.887 -6.918 1.00 0.00 O ATOM 0 H ASP A 61 10.428 4.898 -10.015 1.00 0.00 H new ATOM 0 HA ASP A 61 10.352 4.198 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.378 4.813 -9.380 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.909 5.223 -7.761 1.00 0.00 H new ATOM 866 N GLU A 62 10.942 7.386 -7.974 1.00 0.00 N ATOM 867 CA GLU A 62 11.000 8.719 -7.398 1.00 0.00 C ATOM 868 C GLU A 62 9.814 8.943 -6.458 1.00 0.00 C ATOM 869 O GLU A 62 9.848 9.836 -5.613 1.00 0.00 O ATOM 870 CB GLU A 62 11.042 9.787 -8.493 1.00 0.00 C ATOM 871 CG GLU A 62 11.439 11.147 -7.916 1.00 0.00 C ATOM 872 CD GLU A 62 12.267 11.949 -8.923 1.00 0.00 C ATOM 873 OE1 GLU A 62 13.294 11.457 -9.414 1.00 0.00 O ATOM 874 OE2 GLU A 62 11.808 13.124 -9.193 1.00 0.00 O ATOM 0 H GLU A 62 10.989 7.359 -8.993 1.00 0.00 H new ATOM 0 HA GLU A 62 11.919 8.804 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.753 9.494 -9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.065 9.862 -8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.544 11.708 -7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.012 11.004 -7.000 1.00 0.00 H new ATOM 880 N ASP A 63 8.794 8.117 -6.637 1.00 0.00 N ATOM 881 CA ASP A 63 7.599 8.215 -5.815 1.00 0.00 C ATOM 882 C ASP A 63 7.497 6.975 -4.924 1.00 0.00 C ATOM 883 O ASP A 63 7.037 7.061 -3.787 1.00 0.00 O ATOM 884 CB ASP A 63 6.339 8.281 -6.681 1.00 0.00 C ATOM 885 CG ASP A 63 5.652 9.647 -6.721 1.00 0.00 C ATOM 886 OD1 ASP A 63 4.826 9.972 -5.855 1.00 0.00 O ATOM 887 OD2 ASP A 63 6.002 10.403 -7.705 1.00 0.00 O ATOM 0 H ASP A 63 8.770 7.377 -7.339 1.00 0.00 H new ATOM 0 HA ASP A 63 7.673 9.123 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.601 7.993 -7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.625 7.543 -6.314 1.00 0.00 H new ATOM 892 N LEU A 64 7.934 5.852 -5.474 1.00 0.00 N ATOM 893 CA LEU A 64 7.897 4.597 -4.742 1.00 0.00 C ATOM 894 C LEU A 64 8.749 4.723 -3.478 1.00 0.00 C ATOM 895 O LEU A 64 8.644 3.901 -2.570 1.00 0.00 O ATOM 896 CB LEU A 64 8.311 3.436 -5.650 1.00 0.00 C ATOM 897 CG LEU A 64 7.710 2.071 -5.308 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.422 1.445 -4.106 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.200 2.175 -5.089 1.00 0.00 C ATOM 0 H LEU A 64 8.315 5.785 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 64 6.880 4.373 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.036 3.686 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.397 3.350 -5.624 1.00 0.00 H new ATOM 0 HG LEU A 64 7.866 1.407 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.976 0.476 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.479 1.314 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.318 2.099 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.799 1.191 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.998 2.861 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.725 2.547 -5.997 1.00 0.00 H new ATOM 910 N ALA A 65 9.574 5.759 -3.461 1.00 0.00 N ATOM 911 CA ALA A 65 10.445 6.003 -2.323 1.00 0.00 C ATOM 912 C ALA A 65 9.620 6.581 -1.171 1.00 0.00 C ATOM 913 O ALA A 65 9.867 6.265 -0.007 1.00 0.00 O ATOM 914 CB ALA A 65 11.588 6.930 -2.744 1.00 0.00 C ATOM 0 H ALA A 65 9.658 6.439 -4.216 1.00 0.00 H new ATOM 0 HA ALA A 65 10.892 5.072 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.241 7.113 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.160 6.462 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.178 7.876 -3.097 1.00 0.00 H new ATOM 920 N GLY A 66 8.657 7.415 -1.534 1.00 0.00 N ATOM 921 CA GLY A 66 7.795 8.039 -0.545 1.00 0.00 C ATOM 922 C GLY A 66 6.714 7.066 -0.068 1.00 0.00 C ATOM 923 O GLY A 66 6.485 6.928 1.132 1.00 0.00 O ATOM 0 H GLY A 66 8.455 7.673 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.391 8.371 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.328 8.926 -0.972 1.00 0.00 H new ATOM 927 N LEU A 67 6.080 6.417 -1.033 1.00 0.00 N ATOM 928 CA LEU A 67 5.029 5.461 -0.727 1.00 0.00 C ATOM 929 C LEU A 67 5.425 4.653 0.511 1.00 0.00 C ATOM 930 O LEU A 67 6.447 3.968 0.510 1.00 0.00 O ATOM 931 CB LEU A 67 4.719 4.596 -1.952 1.00 0.00 C ATOM 932 CG LEU A 67 4.100 5.324 -3.147 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.595 4.329 -4.193 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.001 6.288 -2.694 1.00 0.00 C ATOM 0 H LEU A 67 6.274 6.534 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 67 4.101 5.979 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.644 4.121 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.042 3.798 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 67 4.877 5.923 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.160 4.872 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.427 3.720 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.838 3.684 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.578 6.792 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.217 5.731 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.424 7.029 -2.015 1.00 0.00 H new ATOM 945 N ARG A 68 4.595 4.762 1.538 1.00 0.00 N ATOM 946 CA ARG A 68 4.845 4.052 2.781 1.00 0.00 C ATOM 947 C ARG A 68 3.779 2.975 3.000 1.00 0.00 C ATOM 948 O ARG A 68 4.082 1.888 3.488 1.00 0.00 O ATOM 949 CB ARG A 68 4.847 5.010 3.973 1.00 0.00 C ATOM 950 CG ARG A 68 6.242 5.114 4.591 1.00 0.00 C ATOM 951 CD ARG A 68 6.191 4.892 6.104 1.00 0.00 C ATOM 952 NE ARG A 68 7.002 5.918 6.794 1.00 0.00 N ATOM 953 CZ ARG A 68 6.536 7.129 7.166 1.00 0.00 C ATOM 954 NH1 ARG A 68 5.256 7.476 6.915 1.00 0.00 N ATOM 955 NH2 ARG A 68 7.351 7.969 7.778 1.00 0.00 N ATOM 0 H ARG A 68 3.749 5.331 1.535 1.00 0.00 H new ATOM 0 HA ARG A 68 5.827 3.586 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.513 5.997 3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.138 4.663 4.724 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.902 4.376 4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.665 6.096 4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.159 4.938 6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.565 3.897 6.347 1.00 0.00 H new ATOM 0 HE ARG A 68 7.976 5.697 7.002 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.634 6.821 6.441 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.911 8.393 7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.317 7.699 7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.014 8.888 8.066 1.00 0.00 H new ATOM 964 N THR A 69 2.554 3.317 2.629 1.00 0.00 N ATOM 965 CA THR A 69 1.442 2.395 2.780 1.00 0.00 C ATOM 966 C THR A 69 0.576 2.394 1.519 1.00 0.00 C ATOM 967 O THR A 69 0.739 3.247 0.648 1.00 0.00 O ATOM 968 CB THR A 69 0.674 2.782 4.045 1.00 0.00 C ATOM 969 OG1 THR A 69 0.359 4.158 3.852 1.00 0.00 O ATOM 970 CG2 THR A 69 1.559 2.774 5.293 1.00 0.00 C ATOM 0 H THR A 69 2.307 4.220 2.224 1.00 0.00 H new ATOM 0 HA THR A 69 1.792 1.369 2.897 1.00 0.00 H new ATOM 0 HB THR A 69 -0.160 2.095 4.187 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.142 4.491 4.626 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.965 3.056 6.162 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.969 1.775 5.442 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.375 3.486 5.165 1.00 0.00 H new ATOM 978 N VAL A 70 -0.328 1.426 1.462 1.00 0.00 N ATOM 979 CA VAL A 70 -1.222 1.303 0.322 1.00 0.00 C ATOM 980 C VAL A 70 -1.914 2.645 0.075 1.00 0.00 C ATOM 981 O VAL A 70 -1.871 3.176 -1.034 1.00 0.00 O ATOM 982 CB VAL A 70 -2.206 0.156 0.550 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.965 -0.179 -0.735 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.491 -1.079 1.102 1.00 0.00 C ATOM 0 H VAL A 70 -0.461 0.720 2.186 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.660 1.056 -0.579 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.933 0.482 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.658 -0.998 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.521 0.697 -1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.257 -0.475 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.214 -1.880 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.731 -1.407 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.018 -0.831 2.052 1.00 0.00 H new ATOM 994 N GLY A 71 -2.536 3.156 1.128 1.00 0.00 N ATOM 995 CA GLY A 71 -3.238 4.426 1.038 1.00 0.00 C ATOM 996 C GLY A 71 -2.403 5.461 0.280 1.00 0.00 C ATOM 997 O GLY A 71 -2.943 6.260 -0.482 1.00 0.00 O ATOM 0 H GLY A 71 -2.569 2.714 2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.193 4.283 0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.460 4.795 2.039 1.00 0.00 H new ATOM 1001 N ASP A 72 -1.100 5.412 0.517 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.187 6.336 -0.134 1.00 0.00 C ATOM 1003 C ASP A 72 0.111 5.838 -1.550 1.00 0.00 C ATOM 1004 O ASP A 72 0.217 6.634 -2.482 1.00 0.00 O ATOM 1005 CB ASP A 72 1.139 6.425 0.625 1.00 0.00 C ATOM 1006 CG ASP A 72 1.814 7.797 0.589 1.00 0.00 C ATOM 1007 OD1 ASP A 72 1.237 8.779 0.097 1.00 0.00 O ATOM 1008 OD2 ASP A 72 2.997 7.838 1.101 1.00 0.00 O ATOM 0 H ASP A 72 -0.655 4.747 1.150 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.658 7.319 -0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.964 6.150 1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.827 5.687 0.212 1.00 0.00 H new ATOM 1013 N VAL A 73 0.239 4.524 -1.667 1.00 0.00 N ATOM 1014 CA VAL A 73 0.523 3.911 -2.953 1.00 0.00 C ATOM 1015 C VAL A 73 -0.708 4.035 -3.854 1.00 0.00 C ATOM 1016 O VAL A 73 -0.613 3.850 -5.067 1.00 0.00 O ATOM 1017 CB VAL A 73 0.974 2.463 -2.754 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.415 1.839 -4.080 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.090 2.375 -1.710 1.00 0.00 C ATOM 0 H VAL A 73 0.151 3.867 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 73 1.344 4.428 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 73 0.121 1.895 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.731 0.810 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.582 1.852 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.247 2.410 -4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.392 1.335 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.945 2.965 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.729 2.762 -0.757 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.832 4.348 -3.227 1.00 0.00 N ATOM 1030 CA VAL A 74 -3.079 4.498 -3.958 1.00 0.00 C ATOM 1031 C VAL A 74 -3.318 5.981 -4.248 1.00 0.00 C ATOM 1032 O VAL A 74 -3.504 6.370 -5.400 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.224 3.849 -3.178 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.562 4.065 -3.888 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.958 2.359 -2.952 1.00 0.00 C ATOM 0 H VAL A 74 -1.906 4.502 -2.221 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.025 3.983 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.280 4.331 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.359 3.594 -3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.760 5.133 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.522 3.622 -4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.787 1.922 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.862 1.856 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.035 2.236 -2.385 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.307 6.769 -3.183 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.522 8.201 -3.309 1.00 0.00 C ATOM 1047 C ALA A 75 -2.619 8.751 -4.414 1.00 0.00 C ATOM 1048 O ALA A 75 -3.097 9.393 -5.350 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.269 8.875 -1.959 1.00 0.00 C ATOM 0 H ALA A 75 -3.153 6.443 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.554 8.412 -3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.430 9.949 -2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.955 8.469 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.242 8.688 -1.646 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.330 8.482 -4.271 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.356 8.943 -5.246 1.00 0.00 C ATOM 1057 C TYR A 76 -0.866 8.730 -6.673 1.00 0.00 C ATOM 1058 O TYR A 76 -0.496 9.469 -7.585 1.00 0.00 O ATOM 1059 CB TYR A 76 0.894 8.087 -5.031 1.00 0.00 C ATOM 1060 CG TYR A 76 1.953 8.744 -4.143 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.568 9.582 -3.116 1.00 0.00 C ATOM 1062 CD2 TYR A 76 3.292 8.497 -4.368 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.565 10.200 -2.280 1.00 0.00 C ATOM 1064 CE2 TYR A 76 4.288 9.114 -3.532 1.00 0.00 C ATOM 1065 CZ TYR A 76 3.875 9.935 -2.529 1.00 0.00 C ATOM 1066 OH TYR A 76 4.816 10.519 -1.739 1.00 0.00 O ATOM 0 H TYR A 76 -0.937 7.950 -3.494 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.160 10.008 -5.119 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.599 7.137 -4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.338 7.860 -6.000 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.520 9.774 -2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.593 7.841 -5.171 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.278 10.859 -1.474 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.339 8.929 -3.697 1.00 0.00 H new ATOM 0 HH TYR A 76 5.708 10.239 -2.032 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.708 7.718 -6.822 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.272 7.400 -8.122 1.00 0.00 C ATOM 1077 C ILE A 77 -3.440 8.343 -8.412 1.00 0.00 C ATOM 1078 O ILE A 77 -3.306 9.281 -9.196 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.646 5.917 -8.196 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.633 5.058 -7.435 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -2.807 5.463 -9.648 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.800 3.577 -7.782 1.00 0.00 C ATOM 0 H ILE A 77 -2.013 7.108 -6.064 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.532 7.559 -8.906 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.612 5.784 -7.709 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.621 5.381 -7.679 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.763 5.201 -6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.073 4.406 -9.671 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.594 6.046 -10.126 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.869 5.613 -10.182 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.068 2.989 -7.228 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.805 3.252 -7.514 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.646 3.434 -8.852 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.561 8.062 -7.763 1.00 0.00 N ATOM 1094 CA GLN A 78 -5.753 8.874 -7.940 1.00 0.00 C ATOM 1095 C GLN A 78 -5.412 10.358 -7.777 1.00 0.00 C ATOM 1096 O GLN A 78 -5.720 11.169 -8.650 1.00 0.00 O ATOM 1097 CB GLN A 78 -6.854 8.454 -6.965 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.249 6.992 -7.182 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.910 6.410 -5.931 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -8.306 7.120 -5.020 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -8.006 5.085 -5.936 1.00 0.00 N ATOM 0 H GLN A 78 -4.669 7.283 -7.114 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.130 8.716 -8.950 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.510 8.593 -5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.726 9.094 -7.098 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.934 6.918 -8.027 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.365 6.407 -7.436 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.654 4.551 -6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.432 4.602 -5.145 1.00 0.00 H new ATOM 1108 N LYS A 79 -4.784 10.668 -6.653 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.399 12.039 -6.365 1.00 0.00 C ATOM 1110 C LYS A 79 -3.852 12.690 -7.637 1.00 0.00 C ATOM 1111 O LYS A 79 -4.165 13.842 -7.933 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.427 12.085 -5.184 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.082 11.540 -3.913 1.00 0.00 C ATOM 1114 CD LYS A 79 -5.168 12.490 -3.404 1.00 0.00 C ATOM 1115 CE LYS A 79 -4.573 13.845 -3.017 1.00 0.00 C ATOM 1116 NZ LYS A 79 -4.716 14.811 -4.129 1.00 0.00 N ATOM 0 H LYS A 79 -4.532 9.993 -5.931 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.267 12.621 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.537 11.501 -5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.100 13.111 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.516 10.561 -4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.325 11.400 -3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.926 12.628 -4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.668 12.048 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.074 14.228 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.520 13.727 -2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.779 15.022 -4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.323 14.402 -4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.147 15.688 -3.773 1.00 0.00 H new