USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 590 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 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.023) USER MOD Single : A 33 ASN : amide:sc= -0.0254 K(o=-0.025,f=-3.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -111:sc= -0.88 USER MOD Single : A 65 HIS : no HE2:sc= -4.17! C(o=-4.2!,f=-8.1!) USER MOD Single : A 68 SER OG : rot -170:sc= -0.955 USER MOD Single : A 71 SER OG : rot -120:sc= -5.24! USER MOD Single : A 80 THR OG1 : rot -27:sc= 0.285 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N HIS A 3 3.195 -9.672 -5.336 1.00 0.00 N ATOM 64 CA HIS A 3 2.555 -8.824 -6.389 1.00 0.00 C ATOM 65 C HIS A 3 2.631 -7.347 -5.994 1.00 0.00 C ATOM 66 O HIS A 3 1.631 -6.659 -5.947 1.00 0.00 O ATOM 67 CB HIS A 3 1.088 -9.224 -6.569 1.00 0.00 C ATOM 68 CG HIS A 3 0.949 -10.714 -6.421 1.00 0.00 C ATOM 69 ND1 HIS A 3 1.416 -11.601 -7.382 1.00 0.00 N ATOM 70 CD2 HIS A 3 0.399 -11.491 -5.430 1.00 0.00 C ATOM 71 CE1 HIS A 3 1.142 -12.847 -6.953 1.00 0.00 C ATOM 72 NE2 HIS A 3 0.523 -12.833 -5.771 1.00 0.00 N ATOM 0 HA HIS A 3 3.089 -8.976 -7.327 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.469 -8.716 -5.830 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.733 -8.911 -7.551 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.059 -11.117 -4.526 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.392 -13.746 -7.497 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.207 -13.638 -5.231 1.00 0.00 H new ATOM 81 N ALA A 4 3.806 -6.848 -5.715 1.00 0.00 N ATOM 82 CA ALA A 4 3.926 -5.413 -5.332 1.00 0.00 C ATOM 83 C ALA A 4 3.460 -4.535 -6.497 1.00 0.00 C ATOM 84 O ALA A 4 2.831 -3.514 -6.306 1.00 0.00 O ATOM 85 CB ALA A 4 5.384 -5.081 -5.010 1.00 0.00 C ATOM 0 H ALA A 4 4.682 -7.369 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 4 3.308 -5.225 -4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.465 -4.030 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.725 -5.704 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.003 -5.272 -5.887 1.00 0.00 H new ATOM 91 N SER A 5 3.774 -4.924 -7.703 1.00 0.00 N ATOM 92 CA SER A 5 3.361 -4.113 -8.883 1.00 0.00 C ATOM 93 C SER A 5 1.836 -4.009 -8.940 1.00 0.00 C ATOM 94 O SER A 5 1.289 -2.982 -9.288 1.00 0.00 O ATOM 95 CB SER A 5 3.872 -4.779 -10.161 1.00 0.00 C ATOM 96 OG SER A 5 3.628 -3.921 -11.268 1.00 0.00 O ATOM 0 H SER A 5 4.300 -5.770 -7.922 1.00 0.00 H new ATOM 0 HA SER A 5 3.784 -3.112 -8.794 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.939 -4.986 -10.075 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.372 -5.736 -10.311 1.00 0.00 H new ATOM 0 HG SER A 5 3.956 -4.345 -12.089 1.00 0.00 H new ATOM 102 N VAL A 6 1.145 -5.062 -8.605 1.00 0.00 N ATOM 103 CA VAL A 6 -0.344 -5.014 -8.647 1.00 0.00 C ATOM 104 C VAL A 6 -0.849 -3.949 -7.673 1.00 0.00 C ATOM 105 O VAL A 6 -1.738 -3.181 -7.980 1.00 0.00 O ATOM 106 CB VAL A 6 -0.911 -6.376 -8.252 1.00 0.00 C ATOM 107 CG1 VAL A 6 -2.430 -6.276 -8.101 1.00 0.00 C ATOM 108 CG2 VAL A 6 -0.574 -7.401 -9.337 1.00 0.00 C ATOM 0 H VAL A 6 1.544 -5.951 -8.305 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.669 -4.765 -9.657 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.473 -6.689 -7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.832 -7.249 -7.819 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.672 -5.546 -7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.870 -5.962 -9.048 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.978 -8.374 -9.057 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.012 -7.086 -10.284 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.508 -7.475 -9.444 1.00 0.00 H new ATOM 118 N ILE A 7 -0.282 -3.897 -6.502 1.00 0.00 N ATOM 119 CA ILE A 7 -0.718 -2.882 -5.504 1.00 0.00 C ATOM 120 C ILE A 7 -0.497 -1.482 -6.078 1.00 0.00 C ATOM 121 O ILE A 7 -1.358 -0.623 -6.009 1.00 0.00 O ATOM 122 CB ILE A 7 0.110 -3.051 -4.232 1.00 0.00 C ATOM 123 CG1 ILE A 7 -0.083 -4.471 -3.692 1.00 0.00 C ATOM 124 CG2 ILE A 7 -0.350 -2.038 -3.182 1.00 0.00 C ATOM 125 CD1 ILE A 7 0.966 -4.758 -2.618 1.00 0.00 C ATOM 0 H ILE A 7 0.467 -4.516 -6.191 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.775 -3.015 -5.274 1.00 0.00 H new ATOM 0 HB ILE A 7 1.163 -2.883 -4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.084 -4.579 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.005 -5.194 -4.503 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.242 -2.160 -2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.217 -1.028 -3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.403 -2.204 -2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.827 -5.769 -2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.963 -4.667 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.857 -4.043 -1.803 1.00 0.00 H new ATOM 137 N ALA A 8 0.650 -1.247 -6.656 1.00 0.00 N ATOM 138 CA ALA A 8 0.926 0.090 -7.244 1.00 0.00 C ATOM 139 C ALA A 8 -0.091 0.356 -8.354 1.00 0.00 C ATOM 140 O ALA A 8 -0.586 1.455 -8.510 1.00 0.00 O ATOM 141 CB ALA A 8 2.341 0.108 -7.825 1.00 0.00 C ATOM 0 H ALA A 8 1.407 -1.925 -6.745 1.00 0.00 H new ATOM 0 HA ALA A 8 0.846 0.861 -6.477 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.545 1.088 -8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.062 -0.097 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.426 -0.654 -8.599 1.00 0.00 H new ATOM 147 N GLN A 9 -0.412 -0.648 -9.119 1.00 0.00 N ATOM 148 CA GLN A 9 -1.407 -0.468 -10.210 1.00 0.00 C ATOM 149 C GLN A 9 -2.770 -0.141 -9.597 1.00 0.00 C ATOM 150 O GLN A 9 -3.545 0.615 -10.146 1.00 0.00 O ATOM 151 CB GLN A 9 -1.507 -1.757 -11.028 1.00 0.00 C ATOM 152 CG GLN A 9 -2.382 -1.517 -12.260 1.00 0.00 C ATOM 153 CD GLN A 9 -2.563 -2.831 -13.022 1.00 0.00 C ATOM 154 OE1 GLN A 9 -1.640 -3.319 -13.643 1.00 0.00 O ATOM 155 NE2 GLN A 9 -3.723 -3.428 -13.001 1.00 0.00 N ATOM 0 H GLN A 9 -0.027 -1.589 -9.035 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.094 0.348 -10.862 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.513 -2.084 -11.334 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.931 -2.555 -10.418 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.352 -1.123 -11.959 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.921 -0.770 -12.906 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.498 -3.018 -12.480 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.855 -4.304 -13.506 1.00 0.00 H new ATOM 164 N PHE A 10 -3.066 -0.716 -8.465 1.00 0.00 N ATOM 165 CA PHE A 10 -4.381 -0.453 -7.812 1.00 0.00 C ATOM 166 C PHE A 10 -4.522 1.031 -7.492 1.00 0.00 C ATOM 167 O PHE A 10 -5.510 1.655 -7.825 1.00 0.00 O ATOM 168 CB PHE A 10 -4.456 -1.243 -6.507 1.00 0.00 C ATOM 169 CG PHE A 10 -5.515 -2.313 -6.601 1.00 0.00 C ATOM 170 CD1 PHE A 10 -6.870 -1.958 -6.626 1.00 0.00 C ATOM 171 CD2 PHE A 10 -5.143 -3.661 -6.648 1.00 0.00 C ATOM 172 CE1 PHE A 10 -7.853 -2.953 -6.696 1.00 0.00 C ATOM 173 CE2 PHE A 10 -6.125 -4.656 -6.722 1.00 0.00 C ATOM 174 CZ PHE A 10 -7.480 -4.302 -6.744 1.00 0.00 C ATOM 0 H PHE A 10 -2.454 -1.358 -7.962 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.180 -0.755 -8.489 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.489 -1.697 -6.293 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.682 -0.570 -5.680 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.156 -0.917 -6.591 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.098 -3.934 -6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.898 -2.680 -6.713 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.838 -5.696 -6.762 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.238 -5.070 -6.798 1.00 0.00 H new ATOM 184 N VAL A 11 -3.549 1.605 -6.846 1.00 0.00 N ATOM 185 CA VAL A 11 -3.645 3.049 -6.507 1.00 0.00 C ATOM 186 C VAL A 11 -3.611 3.869 -7.796 1.00 0.00 C ATOM 187 O VAL A 11 -4.309 4.854 -7.936 1.00 0.00 O ATOM 188 CB VAL A 11 -2.480 3.443 -5.598 1.00 0.00 C ATOM 189 CG1 VAL A 11 -2.633 2.742 -4.247 1.00 0.00 C ATOM 190 CG2 VAL A 11 -1.158 3.017 -6.237 1.00 0.00 C ATOM 0 H VAL A 11 -2.695 1.139 -6.539 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.580 3.244 -5.981 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.483 4.524 -5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.804 3.021 -3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.573 3.043 -3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.631 1.662 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.331 3.300 -5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.154 1.936 -6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.045 3.511 -7.202 1.00 0.00 H new ATOM 200 N VAL A 12 -2.814 3.464 -8.746 1.00 0.00 N ATOM 201 CA VAL A 12 -2.747 4.216 -10.028 1.00 0.00 C ATOM 202 C VAL A 12 -4.110 4.155 -10.724 1.00 0.00 C ATOM 203 O VAL A 12 -4.613 5.146 -11.212 1.00 0.00 O ATOM 204 CB VAL A 12 -1.682 3.589 -10.926 1.00 0.00 C ATOM 205 CG1 VAL A 12 -1.706 4.256 -12.302 1.00 0.00 C ATOM 206 CG2 VAL A 12 -0.303 3.784 -10.292 1.00 0.00 C ATOM 0 H VAL A 12 -2.207 2.646 -8.689 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.488 5.256 -9.831 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.888 2.524 -11.038 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.945 3.805 -12.938 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.687 4.118 -12.756 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.504 5.322 -12.193 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.458 3.337 -10.932 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.102 4.849 -10.179 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.281 3.305 -9.313 1.00 0.00 H new ATOM 216 N GLU A 13 -4.714 2.996 -10.767 1.00 0.00 N ATOM 217 CA GLU A 13 -6.043 2.868 -11.423 1.00 0.00 C ATOM 218 C GLU A 13 -7.120 3.503 -10.546 1.00 0.00 C ATOM 219 O GLU A 13 -8.205 3.813 -10.997 1.00 0.00 O ATOM 220 CB GLU A 13 -6.358 1.391 -11.633 1.00 0.00 C ATOM 221 CG GLU A 13 -5.384 0.807 -12.650 1.00 0.00 C ATOM 222 CD GLU A 13 -5.739 -0.656 -12.921 1.00 0.00 C ATOM 223 OE1 GLU A 13 -6.584 -1.181 -12.214 1.00 0.00 O ATOM 224 OE2 GLU A 13 -5.160 -1.228 -13.830 1.00 0.00 O ATOM 0 H GLU A 13 -4.341 2.132 -10.374 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.023 3.380 -12.385 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.281 0.853 -10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.383 1.272 -11.984 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.424 1.379 -13.577 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.363 0.880 -12.274 1.00 0.00 H new ATOM 231 N GLU A 14 -6.834 3.680 -9.288 1.00 0.00 N ATOM 232 CA GLU A 14 -7.843 4.273 -8.366 1.00 0.00 C ATOM 233 C GLU A 14 -8.167 5.712 -8.781 1.00 0.00 C ATOM 234 O GLU A 14 -9.274 6.179 -8.598 1.00 0.00 O ATOM 235 CB GLU A 14 -7.288 4.269 -6.941 1.00 0.00 C ATOM 236 CG GLU A 14 -8.372 4.735 -5.966 1.00 0.00 C ATOM 237 CD GLU A 14 -7.785 4.831 -4.557 1.00 0.00 C ATOM 238 OE1 GLU A 14 -6.602 4.571 -4.412 1.00 0.00 O ATOM 239 OE2 GLU A 14 -8.527 5.162 -3.648 1.00 0.00 O ATOM 0 H GLU A 14 -5.942 3.439 -8.856 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.756 3.680 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.951 3.267 -6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.420 4.925 -6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.762 5.705 -6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.209 4.037 -5.976 1.00 0.00 H new ATOM 246 N PHE A 15 -7.219 6.425 -9.327 1.00 0.00 N ATOM 247 CA PHE A 15 -7.504 7.832 -9.733 1.00 0.00 C ATOM 248 C PHE A 15 -6.786 8.167 -11.045 1.00 0.00 C ATOM 249 O PHE A 15 -7.305 8.891 -11.870 1.00 0.00 O ATOM 250 CB PHE A 15 -7.029 8.783 -8.632 1.00 0.00 C ATOM 251 CG PHE A 15 -7.488 10.188 -8.944 1.00 0.00 C ATOM 252 CD1 PHE A 15 -8.809 10.569 -8.675 1.00 0.00 C ATOM 253 CD2 PHE A 15 -6.593 11.110 -9.498 1.00 0.00 C ATOM 254 CE1 PHE A 15 -9.234 11.871 -8.964 1.00 0.00 C ATOM 255 CE2 PHE A 15 -7.019 12.413 -9.787 1.00 0.00 C ATOM 256 CZ PHE A 15 -8.340 12.792 -9.519 1.00 0.00 C ATOM 0 H PHE A 15 -6.270 6.099 -9.508 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.578 7.946 -9.883 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.425 8.466 -7.667 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.942 8.753 -8.555 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.499 9.858 -8.245 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.574 10.817 -9.703 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.253 12.164 -8.758 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.329 13.125 -10.216 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.669 13.796 -9.741 1.00 0.00 H new ATOM 266 N LEU A 16 -5.598 7.658 -11.242 1.00 0.00 N ATOM 267 CA LEU A 16 -4.852 7.962 -12.497 1.00 0.00 C ATOM 268 C LEU A 16 -4.569 6.668 -13.265 1.00 0.00 C ATOM 269 O LEU A 16 -3.478 6.136 -13.213 1.00 0.00 O ATOM 270 CB LEU A 16 -3.527 8.631 -12.138 1.00 0.00 C ATOM 271 CG LEU A 16 -3.701 10.148 -12.166 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.596 10.805 -11.338 1.00 0.00 C ATOM 273 CD2 LEU A 16 -3.620 10.644 -13.612 1.00 0.00 C ATOM 0 H LEU A 16 -5.113 7.045 -10.587 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.451 8.625 -13.121 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.201 8.309 -11.149 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.752 8.330 -12.843 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.672 10.410 -11.746 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.721 11.888 -11.358 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.654 10.452 -10.308 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.624 10.544 -11.756 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.744 11.727 -13.633 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.649 10.382 -14.033 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.409 10.177 -14.202 1.00 0.00 H new ATOM 285 N PRO A 17 -5.542 6.168 -13.982 1.00 0.00 N ATOM 286 CA PRO A 17 -5.391 4.922 -14.780 1.00 0.00 C ATOM 287 C PRO A 17 -4.633 5.161 -16.091 1.00 0.00 C ATOM 288 O PRO A 17 -4.199 4.234 -16.746 1.00 0.00 O ATOM 289 CB PRO A 17 -6.830 4.492 -15.061 1.00 0.00 C ATOM 290 CG PRO A 17 -7.649 5.741 -14.990 1.00 0.00 C ATOM 291 CD PRO A 17 -6.893 6.738 -14.107 1.00 0.00 C ATOM 0 HA PRO A 17 -4.810 4.168 -14.248 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.914 4.024 -16.042 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.169 3.760 -14.329 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.806 6.154 -15.987 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.634 5.530 -14.574 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.865 7.729 -14.561 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.370 6.847 -13.133 1.00 0.00 H new ATOM 299 N ASP A 18 -4.477 6.397 -16.478 1.00 0.00 N ATOM 300 CA ASP A 18 -3.757 6.699 -17.744 1.00 0.00 C ATOM 301 C ASP A 18 -2.263 6.882 -17.463 1.00 0.00 C ATOM 302 O ASP A 18 -1.505 7.265 -18.333 1.00 0.00 O ATOM 303 CB ASP A 18 -4.323 7.983 -18.344 1.00 0.00 C ATOM 304 CG ASP A 18 -5.761 7.740 -18.808 1.00 0.00 C ATOM 305 OD1 ASP A 18 -6.159 6.588 -18.858 1.00 0.00 O ATOM 306 OD2 ASP A 18 -6.437 8.711 -19.104 1.00 0.00 O ATOM 0 H ASP A 18 -4.819 7.212 -15.969 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.889 5.873 -18.443 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.299 8.784 -17.605 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.708 8.306 -19.184 1.00 0.00 H new ATOM 311 N VAL A 19 -1.834 6.614 -16.259 1.00 0.00 N ATOM 312 CA VAL A 19 -0.389 6.774 -15.926 1.00 0.00 C ATOM 313 C VAL A 19 0.249 5.396 -15.734 1.00 0.00 C ATOM 314 O VAL A 19 -0.301 4.532 -15.081 1.00 0.00 O ATOM 315 CB VAL A 19 -0.252 7.580 -14.634 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.230 7.827 -14.340 1.00 0.00 C ATOM 317 CG2 VAL A 19 -0.968 8.923 -14.795 1.00 0.00 C ATOM 0 H VAL A 19 -2.422 6.291 -15.491 1.00 0.00 H new ATOM 0 HA VAL A 19 0.114 7.297 -16.739 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.698 7.024 -13.810 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.327 8.402 -13.419 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.743 6.872 -14.228 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.677 8.384 -15.164 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.872 9.499 -13.875 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.520 9.478 -15.619 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.023 8.750 -15.006 1.00 0.00 H new ATOM 327 N ALA A 20 1.407 5.184 -16.301 1.00 0.00 N ATOM 328 CA ALA A 20 2.077 3.862 -16.151 1.00 0.00 C ATOM 329 C ALA A 20 2.615 3.722 -14.716 1.00 0.00 C ATOM 330 O ALA A 20 3.477 4.474 -14.310 1.00 0.00 O ATOM 331 CB ALA A 20 3.248 3.784 -17.133 1.00 0.00 C ATOM 0 H ALA A 20 1.916 5.869 -16.860 1.00 0.00 H new ATOM 0 HA ALA A 20 1.364 3.063 -16.355 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.745 2.819 -17.031 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.876 3.895 -18.152 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.958 4.583 -16.917 1.00 0.00 H new ATOM 337 N PRO A 21 2.134 2.768 -13.945 1.00 0.00 N ATOM 338 CA PRO A 21 2.617 2.565 -12.547 1.00 0.00 C ATOM 339 C PRO A 21 4.143 2.446 -12.476 1.00 0.00 C ATOM 340 O PRO A 21 4.752 2.740 -11.466 1.00 0.00 O ATOM 341 CB PRO A 21 1.972 1.249 -12.110 1.00 0.00 C ATOM 342 CG PRO A 21 0.791 1.056 -13.001 1.00 0.00 C ATOM 343 CD PRO A 21 1.086 1.795 -14.305 1.00 0.00 C ATOM 0 HA PRO A 21 2.353 3.410 -11.911 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.673 0.420 -12.206 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.669 1.291 -11.064 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.620 -0.004 -13.189 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.113 1.447 -12.533 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.429 1.111 -15.081 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.196 2.293 -14.690 1.00 0.00 H new ATOM 351 N ALA A 22 4.761 2.014 -13.539 1.00 0.00 N ATOM 352 CA ALA A 22 6.245 1.869 -13.537 1.00 0.00 C ATOM 353 C ALA A 22 6.898 3.244 -13.387 1.00 0.00 C ATOM 354 O ALA A 22 8.027 3.361 -12.955 1.00 0.00 O ATOM 355 CB ALA A 22 6.692 1.233 -14.854 1.00 0.00 C ATOM 0 H ALA A 22 4.302 1.754 -14.412 1.00 0.00 H new ATOM 0 HA ALA A 22 6.546 1.236 -12.703 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.777 1.125 -14.856 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.230 0.252 -14.959 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.389 1.868 -15.686 1.00 0.00 H new ATOM 361 N ASP A 23 6.202 4.287 -13.749 1.00 0.00 N ATOM 362 CA ASP A 23 6.789 5.653 -13.634 1.00 0.00 C ATOM 363 C ASP A 23 6.585 6.193 -12.216 1.00 0.00 C ATOM 364 O ASP A 23 6.859 7.344 -11.939 1.00 0.00 O ATOM 365 CB ASP A 23 6.114 6.586 -14.642 1.00 0.00 C ATOM 366 CG ASP A 23 4.633 6.751 -14.291 1.00 0.00 C ATOM 367 OD1 ASP A 23 4.251 6.348 -13.204 1.00 0.00 O ATOM 368 OD2 ASP A 23 3.904 7.273 -15.117 1.00 0.00 O ATOM 0 H ASP A 23 5.252 4.253 -14.119 1.00 0.00 H new ATOM 0 HA ASP A 23 7.857 5.602 -13.844 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.608 7.558 -14.638 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.215 6.181 -15.649 1.00 0.00 H new ATOM 373 N VAL A 24 6.107 5.377 -11.316 1.00 0.00 N ATOM 374 CA VAL A 24 5.888 5.858 -9.921 1.00 0.00 C ATOM 375 C VAL A 24 7.007 5.340 -9.022 1.00 0.00 C ATOM 376 O VAL A 24 7.331 4.169 -9.030 1.00 0.00 O ATOM 377 CB VAL A 24 4.558 5.321 -9.397 1.00 0.00 C ATOM 378 CG1 VAL A 24 4.198 6.036 -8.094 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.460 5.562 -10.436 1.00 0.00 C ATOM 0 H VAL A 24 5.859 4.402 -11.485 1.00 0.00 H new ATOM 0 HA VAL A 24 5.878 6.948 -9.918 1.00 0.00 H new ATOM 0 HB VAL A 24 4.648 4.251 -9.211 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.249 5.653 -7.719 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.978 5.858 -7.354 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.110 7.107 -8.279 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.512 5.178 -10.059 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.368 6.631 -10.627 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.717 5.049 -11.363 1.00 0.00 H new ATOM 389 N ASP A 25 7.595 6.196 -8.234 1.00 0.00 N ATOM 390 CA ASP A 25 8.679 5.735 -7.328 1.00 0.00 C ATOM 391 C ASP A 25 8.061 5.282 -6.006 1.00 0.00 C ATOM 392 O ASP A 25 7.419 6.049 -5.316 1.00 0.00 O ATOM 393 CB ASP A 25 9.653 6.888 -7.072 1.00 0.00 C ATOM 394 CG ASP A 25 10.852 6.376 -6.272 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.884 5.191 -5.983 1.00 0.00 O ATOM 396 OD2 ASP A 25 11.718 7.178 -5.962 1.00 0.00 O ATOM 0 H ASP A 25 7.372 7.190 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 25 9.218 4.905 -7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.988 7.312 -8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.152 7.687 -6.525 1.00 0.00 H new ATOM 401 N VAL A 26 8.247 4.044 -5.642 1.00 0.00 N ATOM 402 CA VAL A 26 7.667 3.552 -4.365 1.00 0.00 C ATOM 403 C VAL A 26 8.456 4.130 -3.188 1.00 0.00 C ATOM 404 O VAL A 26 8.206 3.809 -2.043 1.00 0.00 O ATOM 405 CB VAL A 26 7.746 2.026 -4.332 1.00 0.00 C ATOM 406 CG1 VAL A 26 7.042 1.449 -5.561 1.00 0.00 C ATOM 407 CG2 VAL A 26 9.214 1.593 -4.336 1.00 0.00 C ATOM 0 H VAL A 26 8.776 3.353 -6.174 1.00 0.00 H new ATOM 0 HA VAL A 26 6.626 3.867 -4.291 1.00 0.00 H new ATOM 0 HB VAL A 26 7.259 1.657 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.099 0.361 -5.536 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.997 1.757 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.528 1.817 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.272 0.505 -4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.700 1.963 -5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.716 2.002 -3.460 1.00 0.00 H new ATOM 417 N ASP A 27 9.403 4.986 -3.459 1.00 0.00 N ATOM 418 CA ASP A 27 10.200 5.591 -2.358 1.00 0.00 C ATOM 419 C ASP A 27 9.512 6.873 -1.888 1.00 0.00 C ATOM 420 O ASP A 27 9.889 7.469 -0.899 1.00 0.00 O ATOM 421 CB ASP A 27 11.599 5.920 -2.875 1.00 0.00 C ATOM 422 CG ASP A 27 12.348 4.623 -3.188 1.00 0.00 C ATOM 423 OD1 ASP A 27 11.867 3.575 -2.790 1.00 0.00 O ATOM 424 OD2 ASP A 27 13.388 4.701 -3.821 1.00 0.00 O ATOM 0 H ASP A 27 9.659 5.292 -4.398 1.00 0.00 H new ATOM 0 HA ASP A 27 10.275 4.892 -1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.531 6.538 -3.770 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.147 6.498 -2.130 1.00 0.00 H new ATOM 429 N LEU A 28 8.501 7.298 -2.594 1.00 0.00 N ATOM 430 CA LEU A 28 7.778 8.539 -2.203 1.00 0.00 C ATOM 431 C LEU A 28 6.475 8.164 -1.498 1.00 0.00 C ATOM 432 O LEU A 28 5.789 7.242 -1.895 1.00 0.00 O ATOM 433 CB LEU A 28 7.464 9.362 -3.452 1.00 0.00 C ATOM 434 CG LEU A 28 6.814 10.688 -3.048 1.00 0.00 C ATOM 435 CD1 LEU A 28 7.835 11.567 -2.321 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.322 11.415 -4.302 1.00 0.00 C ATOM 0 H LEU A 28 8.143 6.836 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 28 8.401 9.128 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.379 9.551 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.796 8.804 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 28 5.973 10.488 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.367 12.509 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.187 11.052 -1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.679 11.767 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.859 12.360 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.166 11.610 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.591 10.794 -4.819 1.00 0.00 H new ATOM 448 N ASP A 29 6.127 8.866 -0.457 1.00 0.00 N ATOM 449 CA ASP A 29 4.869 8.534 0.264 1.00 0.00 C ATOM 450 C ASP A 29 3.689 8.640 -0.700 1.00 0.00 C ATOM 451 O ASP A 29 3.646 9.497 -1.562 1.00 0.00 O ATOM 452 CB ASP A 29 4.673 9.503 1.431 1.00 0.00 C ATOM 453 CG ASP A 29 5.765 9.271 2.477 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.442 8.261 2.382 1.00 0.00 O ATOM 455 OD2 ASP A 29 5.906 10.106 3.355 1.00 0.00 O ATOM 0 H ASP A 29 6.656 9.651 -0.076 1.00 0.00 H new ATOM 0 HA ASP A 29 4.929 7.517 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.710 10.532 1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.690 9.356 1.878 1.00 0.00 H new ATOM 460 N LEU A 30 2.744 7.756 -0.570 1.00 0.00 N ATOM 461 CA LEU A 30 1.569 7.764 -1.479 1.00 0.00 C ATOM 462 C LEU A 30 0.686 8.986 -1.213 1.00 0.00 C ATOM 463 O LEU A 30 0.137 9.573 -2.122 1.00 0.00 O ATOM 464 CB LEU A 30 0.753 6.499 -1.231 1.00 0.00 C ATOM 465 CG LEU A 30 0.100 6.053 -2.535 1.00 0.00 C ATOM 466 CD1 LEU A 30 -0.656 4.748 -2.301 1.00 0.00 C ATOM 467 CD2 LEU A 30 -0.871 7.134 -3.010 1.00 0.00 C ATOM 0 H LEU A 30 2.736 7.020 0.136 1.00 0.00 H new ATOM 0 HA LEU A 30 1.918 7.804 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.396 5.708 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.010 6.687 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 30 0.865 5.896 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.124 4.427 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.039 3.981 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.424 4.903 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.339 6.818 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.639 7.291 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.328 8.065 -3.174 1.00 0.00 H new ATOM 479 N VAL A 31 0.525 9.360 0.022 1.00 0.00 N ATOM 480 CA VAL A 31 -0.345 10.529 0.336 1.00 0.00 C ATOM 481 C VAL A 31 0.242 11.808 -0.256 1.00 0.00 C ATOM 482 O VAL A 31 -0.478 12.679 -0.706 1.00 0.00 O ATOM 483 CB VAL A 31 -0.480 10.685 1.844 1.00 0.00 C ATOM 484 CG1 VAL A 31 -1.225 11.986 2.143 1.00 0.00 C ATOM 485 CG2 VAL A 31 -1.270 9.501 2.399 1.00 0.00 C ATOM 0 H VAL A 31 0.956 8.909 0.829 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.328 10.355 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 31 0.506 10.713 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.327 12.107 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.666 12.828 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.214 11.952 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.371 9.605 3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.260 9.478 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.744 8.574 2.172 1.00 0.00 H new ATOM 495 N ASP A 32 1.537 11.939 -0.264 1.00 0.00 N ATOM 496 CA ASP A 32 2.143 13.173 -0.834 1.00 0.00 C ATOM 497 C ASP A 32 1.578 13.378 -2.236 1.00 0.00 C ATOM 498 O ASP A 32 1.381 14.490 -2.687 1.00 0.00 O ATOM 499 CB ASP A 32 3.663 13.016 -0.908 1.00 0.00 C ATOM 500 CG ASP A 32 4.244 12.993 0.508 1.00 0.00 C ATOM 501 OD1 ASP A 32 3.508 13.294 1.434 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.413 12.674 0.641 1.00 0.00 O ATOM 0 H ASP A 32 2.199 11.251 0.096 1.00 0.00 H new ATOM 0 HA ASP A 32 1.910 14.032 -0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.919 12.095 -1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.097 13.838 -1.477 1.00 0.00 H new ATOM 507 N ASN A 33 1.310 12.306 -2.923 1.00 0.00 N ATOM 508 CA ASN A 33 0.747 12.410 -4.294 1.00 0.00 C ATOM 509 C ASN A 33 -0.701 12.899 -4.229 1.00 0.00 C ATOM 510 O ASN A 33 -1.166 13.611 -5.099 1.00 0.00 O ATOM 511 CB ASN A 33 0.776 11.030 -4.940 1.00 0.00 C ATOM 512 CG ASN A 33 2.224 10.622 -5.220 1.00 0.00 C ATOM 513 OD1 ASN A 33 3.110 11.454 -5.227 1.00 0.00 O ATOM 514 ND2 ASN A 33 2.504 9.370 -5.453 1.00 0.00 N ATOM 0 H ASN A 33 1.458 11.353 -2.590 1.00 0.00 H new ATOM 0 HA ASN A 33 1.338 13.116 -4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.303 10.300 -4.283 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.205 11.040 -5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.466 9.089 -5.641 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.761 8.672 -5.447 1.00 0.00 H new ATOM 521 N GLY A 34 -1.422 12.514 -3.214 1.00 0.00 N ATOM 522 CA GLY A 34 -2.845 12.944 -3.101 1.00 0.00 C ATOM 523 C GLY A 34 -3.720 11.969 -3.884 1.00 0.00 C ATOM 524 O GLY A 34 -4.911 12.163 -4.033 1.00 0.00 O ATOM 0 H GLY A 34 -1.088 11.919 -2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.150 12.967 -2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.965 13.955 -3.491 1.00 0.00 H new ATOM 528 N VAL A 35 -3.135 10.916 -4.384 1.00 0.00 N ATOM 529 CA VAL A 35 -3.922 9.917 -5.155 1.00 0.00 C ATOM 530 C VAL A 35 -4.993 9.316 -4.246 1.00 0.00 C ATOM 531 O VAL A 35 -6.072 8.970 -4.685 1.00 0.00 O ATOM 532 CB VAL A 35 -2.992 8.810 -5.655 1.00 0.00 C ATOM 533 CG1 VAL A 35 -3.823 7.683 -6.271 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.045 9.380 -6.713 1.00 0.00 C ATOM 0 H VAL A 35 -2.141 10.705 -4.291 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.396 10.401 -6.009 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.412 8.418 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.160 6.895 -6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.499 7.276 -5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.403 8.074 -7.107 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.382 8.592 -7.070 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.626 9.772 -7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.452 10.183 -6.276 1.00 0.00 H new ATOM 544 N ILE A 36 -4.703 9.185 -2.981 1.00 0.00 N ATOM 545 CA ILE A 36 -5.705 8.603 -2.047 1.00 0.00 C ATOM 546 C ILE A 36 -6.546 9.719 -1.429 1.00 0.00 C ATOM 547 O ILE A 36 -6.034 10.639 -0.820 1.00 0.00 O ATOM 548 CB ILE A 36 -4.986 7.843 -0.934 1.00 0.00 C ATOM 549 CG1 ILE A 36 -4.144 6.725 -1.539 1.00 0.00 C ATOM 550 CG2 ILE A 36 -6.012 7.231 0.012 1.00 0.00 C ATOM 551 CD1 ILE A 36 -3.303 6.075 -0.439 1.00 0.00 C ATOM 0 H ILE A 36 -3.817 9.456 -2.555 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.353 7.922 -2.599 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.344 8.534 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.789 5.981 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.497 7.123 -2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.497 6.689 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.621 8.022 0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.652 6.543 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.699 5.275 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.649 6.823 0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.961 5.663 0.326 1.00 0.00 H new ATOM 563 N ASP A 37 -7.836 9.634 -1.579 1.00 0.00 N ATOM 564 CA ASP A 37 -8.738 10.664 -1.008 1.00 0.00 C ATOM 565 C ASP A 37 -9.608 10.021 0.073 1.00 0.00 C ATOM 566 O ASP A 37 -9.369 8.905 0.491 1.00 0.00 O ATOM 567 CB ASP A 37 -9.629 11.214 -2.120 1.00 0.00 C ATOM 568 CG ASP A 37 -8.782 12.029 -3.099 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.636 12.297 -2.779 1.00 0.00 O ATOM 570 OD2 ASP A 37 -9.294 12.370 -4.153 1.00 0.00 O ATOM 0 H ASP A 37 -8.309 8.882 -2.081 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.154 11.474 -0.572 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.122 10.395 -2.644 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.415 11.839 -1.695 1.00 0.00 H new ATOM 575 N ALA A 38 -10.619 10.709 0.528 1.00 0.00 N ATOM 576 CA ALA A 38 -11.501 10.123 1.577 1.00 0.00 C ATOM 577 C ALA A 38 -12.196 8.892 1.001 1.00 0.00 C ATOM 578 O ALA A 38 -12.113 7.805 1.541 1.00 0.00 O ATOM 579 CB ALA A 38 -12.548 11.154 2.003 1.00 0.00 C ATOM 0 H ALA A 38 -10.872 11.648 0.220 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.907 9.841 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.192 10.723 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.048 12.036 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.151 11.438 1.141 1.00 0.00 H new ATOM 585 N LEU A 39 -12.851 9.048 -0.112 1.00 0.00 N ATOM 586 CA LEU A 39 -13.517 7.887 -0.749 1.00 0.00 C ATOM 587 C LEU A 39 -12.419 6.967 -1.254 1.00 0.00 C ATOM 588 O LEU A 39 -12.549 5.759 -1.265 1.00 0.00 O ATOM 589 CB LEU A 39 -14.382 8.356 -1.919 1.00 0.00 C ATOM 590 CG LEU A 39 -15.590 9.132 -1.391 1.00 0.00 C ATOM 591 CD1 LEU A 39 -15.172 10.551 -0.990 1.00 0.00 C ATOM 592 CD2 LEU A 39 -16.660 9.208 -2.481 1.00 0.00 C ATOM 0 H LEU A 39 -12.953 9.933 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.162 7.371 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.796 8.988 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.716 7.498 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 39 -15.988 8.618 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.040 11.094 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.412 10.500 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.766 11.070 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.522 9.761 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.254 9.717 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.968 8.200 -2.759 1.00 0.00 H new ATOM 604 N GLY A 40 -11.324 7.547 -1.661 1.00 0.00 N ATOM 605 CA GLY A 40 -10.189 6.735 -2.155 1.00 0.00 C ATOM 606 C GLY A 40 -9.746 5.788 -1.045 1.00 0.00 C ATOM 607 O GLY A 40 -9.474 4.626 -1.272 1.00 0.00 O ATOM 0 H GLY A 40 -11.171 8.555 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.485 6.169 -3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.363 7.381 -2.452 1.00 0.00 H new ATOM 611 N LEU A 41 -9.692 6.276 0.163 1.00 0.00 N ATOM 612 CA LEU A 41 -9.290 5.410 1.297 1.00 0.00 C ATOM 613 C LEU A 41 -10.344 4.321 1.484 1.00 0.00 C ATOM 614 O LEU A 41 -10.034 3.171 1.726 1.00 0.00 O ATOM 615 CB LEU A 41 -9.192 6.263 2.563 1.00 0.00 C ATOM 616 CG LEU A 41 -8.665 5.415 3.718 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.722 6.260 4.572 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.839 4.940 4.579 1.00 0.00 C ATOM 0 H LEU A 41 -9.910 7.241 0.411 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.323 4.948 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.530 7.111 2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.171 6.670 2.815 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.130 4.551 3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.343 5.659 5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.888 6.604 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.262 7.121 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.464 4.334 5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.372 5.804 4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.518 4.343 3.971 1.00 0.00 H new ATOM 630 N LEU A 42 -11.593 4.677 1.367 1.00 0.00 N ATOM 631 CA LEU A 42 -12.673 3.665 1.531 1.00 0.00 C ATOM 632 C LEU A 42 -12.492 2.569 0.484 1.00 0.00 C ATOM 633 O LEU A 42 -12.573 1.392 0.775 1.00 0.00 O ATOM 634 CB LEU A 42 -14.028 4.350 1.318 1.00 0.00 C ATOM 635 CG LEU A 42 -15.162 3.332 1.460 1.00 0.00 C ATOM 636 CD1 LEU A 42 -15.735 3.394 2.877 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.260 3.658 0.445 1.00 0.00 C ATOM 0 H LEU A 42 -11.912 5.624 1.165 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.630 3.229 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.156 5.152 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.061 4.807 0.329 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.779 2.329 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.542 2.668 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.950 3.163 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.122 4.395 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.071 2.936 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.643 4.661 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.849 3.610 -0.563 1.00 0.00 H new ATOM 649 N LYS A 43 -12.249 2.951 -0.732 1.00 0.00 N ATOM 650 CA LYS A 43 -12.064 1.941 -1.807 1.00 0.00 C ATOM 651 C LYS A 43 -10.873 1.044 -1.464 1.00 0.00 C ATOM 652 O LYS A 43 -10.869 -0.139 -1.745 1.00 0.00 O ATOM 653 CB LYS A 43 -11.804 2.657 -3.130 1.00 0.00 C ATOM 654 CG LYS A 43 -13.050 3.443 -3.542 1.00 0.00 C ATOM 655 CD LYS A 43 -12.829 4.068 -4.921 1.00 0.00 C ATOM 656 CE LYS A 43 -14.026 4.950 -5.280 1.00 0.00 C ATOM 657 NZ LYS A 43 -13.607 5.975 -6.277 1.00 0.00 N ATOM 0 H LYS A 43 -12.170 3.923 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.962 1.329 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.953 3.331 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.547 1.933 -3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.917 2.783 -3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.261 4.221 -2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.914 4.661 -4.921 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.702 3.286 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.832 4.339 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.415 5.436 -4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.421 6.575 -6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.852 6.564 -5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.256 5.502 -7.134 1.00 0.00 H new ATOM 671 N VAL A 44 -9.859 1.601 -0.861 1.00 0.00 N ATOM 672 CA VAL A 44 -8.661 0.796 -0.496 1.00 0.00 C ATOM 673 C VAL A 44 -9.056 -0.301 0.493 1.00 0.00 C ATOM 674 O VAL A 44 -8.629 -1.432 0.386 1.00 0.00 O ATOM 675 CB VAL A 44 -7.618 1.709 0.152 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.468 0.861 0.701 1.00 0.00 C ATOM 677 CG2 VAL A 44 -7.075 2.682 -0.897 1.00 0.00 C ATOM 0 H VAL A 44 -9.810 2.587 -0.604 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.246 0.339 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.079 2.268 0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.725 1.511 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.853 0.164 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.006 0.303 -0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.332 3.334 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.614 2.121 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.893 3.285 -1.291 1.00 0.00 H new ATOM 687 N ILE A 45 -9.861 0.034 1.458 1.00 0.00 N ATOM 688 CA ILE A 45 -10.284 -0.969 2.471 1.00 0.00 C ATOM 689 C ILE A 45 -11.173 -2.049 1.844 1.00 0.00 C ATOM 690 O ILE A 45 -11.090 -3.206 2.193 1.00 0.00 O ATOM 691 CB ILE A 45 -11.060 -0.246 3.572 1.00 0.00 C ATOM 692 CG1 ILE A 45 -10.096 0.165 4.685 1.00 0.00 C ATOM 693 CG2 ILE A 45 -12.138 -1.167 4.145 1.00 0.00 C ATOM 694 CD1 ILE A 45 -8.978 1.029 4.099 1.00 0.00 C ATOM 0 H ILE A 45 -10.248 0.968 1.590 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.399 -1.457 2.879 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.536 0.640 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.630 0.718 5.458 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.674 -0.720 5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.685 -0.643 4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.828 -1.457 3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.670 -2.058 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.291 1.322 4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.437 0.460 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.408 1.921 3.644 1.00 0.00 H new ATOM 706 N ALA A 46 -12.051 -1.686 0.956 1.00 0.00 N ATOM 707 CA ALA A 46 -12.966 -2.707 0.365 1.00 0.00 C ATOM 708 C ALA A 46 -12.212 -3.717 -0.511 1.00 0.00 C ATOM 709 O ALA A 46 -12.380 -4.915 -0.369 1.00 0.00 O ATOM 710 CB ALA A 46 -14.010 -1.996 -0.491 1.00 0.00 C ATOM 0 H ALA A 46 -12.178 -0.734 0.613 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.433 -3.254 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.685 -2.732 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.580 -1.305 0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.512 -1.442 -1.287 1.00 0.00 H new ATOM 716 N TRP A 47 -11.399 -3.263 -1.424 1.00 0.00 N ATOM 717 CA TRP A 47 -10.682 -4.234 -2.302 1.00 0.00 C ATOM 718 C TRP A 47 -9.490 -4.847 -1.567 1.00 0.00 C ATOM 719 O TRP A 47 -9.261 -6.037 -1.629 1.00 0.00 O ATOM 720 CB TRP A 47 -10.185 -3.529 -3.566 1.00 0.00 C ATOM 721 CG TRP A 47 -8.725 -3.792 -3.726 1.00 0.00 C ATOM 722 CD1 TRP A 47 -8.174 -4.990 -4.032 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.623 -2.860 -3.584 1.00 0.00 C ATOM 724 NE1 TRP A 47 -6.797 -4.849 -4.072 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.411 -3.550 -3.802 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.567 -1.494 -3.284 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -5.178 -2.901 -3.721 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.332 -0.833 -3.202 1.00 0.00 C ATOM 729 CH2 TRP A 47 -5.138 -1.537 -3.417 1.00 0.00 C ATOM 0 H TRP A 47 -11.201 -2.278 -1.600 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.379 -5.027 -2.573 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.730 -3.890 -4.438 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.369 -2.457 -3.496 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.718 -5.905 -4.215 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.148 -5.609 -4.275 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.481 -0.945 -3.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.263 -3.448 -3.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.301 0.222 -2.972 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.189 -1.026 -3.348 1.00 0.00 H new ATOM 740 N LEU A 48 -8.717 -4.047 -0.889 1.00 0.00 N ATOM 741 CA LEU A 48 -7.530 -4.599 -0.179 1.00 0.00 C ATOM 742 C LEU A 48 -7.968 -5.666 0.823 1.00 0.00 C ATOM 743 O LEU A 48 -7.365 -6.716 0.928 1.00 0.00 O ATOM 744 CB LEU A 48 -6.824 -3.471 0.572 1.00 0.00 C ATOM 745 CG LEU A 48 -5.510 -3.985 1.154 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.514 -4.263 0.024 1.00 0.00 C ATOM 747 CD2 LEU A 48 -4.929 -2.931 2.099 1.00 0.00 C ATOM 0 H LEU A 48 -8.854 -3.041 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.854 -5.045 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.633 -2.636 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.464 -3.096 1.370 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.695 -4.909 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.578 -4.630 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.928 -5.014 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.327 -3.343 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.990 -3.295 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.748 -2.008 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.635 -2.738 2.907 1.00 0.00 H new ATOM 759 N GLU A 49 -9.007 -5.409 1.566 1.00 0.00 N ATOM 760 CA GLU A 49 -9.472 -6.411 2.559 1.00 0.00 C ATOM 761 C GLU A 49 -10.031 -7.636 1.829 1.00 0.00 C ATOM 762 O GLU A 49 -9.853 -8.760 2.254 1.00 0.00 O ATOM 763 CB GLU A 49 -10.558 -5.776 3.421 1.00 0.00 C ATOM 764 CG GLU A 49 -9.943 -4.644 4.244 1.00 0.00 C ATOM 765 CD GLU A 49 -8.900 -5.202 5.214 1.00 0.00 C ATOM 766 OE1 GLU A 49 -9.261 -6.035 6.027 1.00 0.00 O ATOM 767 OE2 GLU A 49 -7.761 -4.774 5.137 1.00 0.00 O ATOM 0 H GLU A 49 -9.553 -4.548 1.527 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.641 -6.728 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.361 -5.391 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.000 -6.523 4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.480 -3.913 3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.723 -4.122 4.798 1.00 0.00 H new ATOM 774 N ASP A 50 -10.710 -7.423 0.733 1.00 0.00 N ATOM 775 CA ASP A 50 -11.289 -8.568 -0.028 1.00 0.00 C ATOM 776 C ASP A 50 -10.181 -9.499 -0.538 1.00 0.00 C ATOM 777 O ASP A 50 -10.347 -10.701 -0.591 1.00 0.00 O ATOM 778 CB ASP A 50 -12.077 -8.028 -1.218 1.00 0.00 C ATOM 779 CG ASP A 50 -12.829 -9.173 -1.897 1.00 0.00 C ATOM 780 OD1 ASP A 50 -13.911 -9.501 -1.436 1.00 0.00 O ATOM 781 OD2 ASP A 50 -12.312 -9.705 -2.866 1.00 0.00 O ATOM 0 H ASP A 50 -10.889 -6.503 0.331 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.943 -9.135 0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.780 -7.264 -0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.401 -7.551 -1.928 1.00 0.00 H new ATOM 786 N ARG A 51 -9.066 -8.955 -0.939 1.00 0.00 N ATOM 787 CA ARG A 51 -7.963 -9.807 -1.474 1.00 0.00 C ATOM 788 C ARG A 51 -7.520 -10.850 -0.443 1.00 0.00 C ATOM 789 O ARG A 51 -7.220 -11.976 -0.787 1.00 0.00 O ATOM 790 CB ARG A 51 -6.773 -8.920 -1.833 1.00 0.00 C ATOM 791 CG ARG A 51 -7.143 -7.989 -2.993 1.00 0.00 C ATOM 792 CD ARG A 51 -7.071 -8.751 -4.320 1.00 0.00 C ATOM 793 NE ARG A 51 -7.169 -7.786 -5.452 1.00 0.00 N ATOM 794 CZ ARG A 51 -7.114 -8.219 -6.683 1.00 0.00 C ATOM 795 NH1 ARG A 51 -6.971 -9.494 -6.920 1.00 0.00 N ATOM 796 NH2 ARG A 51 -7.202 -7.377 -7.676 1.00 0.00 N ATOM 0 H ARG A 51 -8.869 -7.954 -0.920 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.329 -10.330 -2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.473 -8.332 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.919 -9.538 -2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.148 -7.593 -2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.464 -7.136 -3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.136 -9.307 -4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.880 -9.480 -4.378 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.279 -6.789 -5.266 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.902 -10.152 -6.144 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.928 -9.832 -7.881 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.314 -6.380 -7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.159 -7.716 -8.637 1.00 0.00 H new ATOM 810 N PHE A 52 -7.460 -10.496 0.809 1.00 0.00 N ATOM 811 CA PHE A 52 -7.016 -11.490 1.828 1.00 0.00 C ATOM 812 C PHE A 52 -8.223 -12.231 2.409 1.00 0.00 C ATOM 813 O PHE A 52 -8.078 -13.130 3.213 1.00 0.00 O ATOM 814 CB PHE A 52 -6.250 -10.775 2.943 1.00 0.00 C ATOM 815 CG PHE A 52 -4.783 -10.739 2.590 1.00 0.00 C ATOM 816 CD1 PHE A 52 -4.331 -9.909 1.557 1.00 0.00 C ATOM 817 CD2 PHE A 52 -3.875 -11.541 3.291 1.00 0.00 C ATOM 818 CE1 PHE A 52 -2.971 -9.881 1.226 1.00 0.00 C ATOM 819 CE2 PHE A 52 -2.515 -11.512 2.961 1.00 0.00 C ATOM 820 CZ PHE A 52 -2.063 -10.682 1.929 1.00 0.00 C ATOM 0 H PHE A 52 -7.696 -9.572 1.170 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.360 -12.218 1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.631 -9.762 3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.396 -11.292 3.891 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.031 -9.290 1.016 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.224 -12.182 4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.622 -9.242 0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.815 -12.130 3.503 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.014 -10.659 1.675 1.00 0.00 H new ATOM 830 N GLY A 53 -9.412 -11.866 2.016 1.00 0.00 N ATOM 831 CA GLY A 53 -10.612 -12.561 2.556 1.00 0.00 C ATOM 832 C GLY A 53 -10.828 -12.107 3.993 1.00 0.00 C ATOM 833 O GLY A 53 -11.326 -12.841 4.825 1.00 0.00 O ATOM 0 H GLY A 53 -9.603 -11.120 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.488 -12.330 1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.473 -13.641 2.517 1.00 0.00 H new ATOM 837 N ILE A 54 -10.435 -10.901 4.291 1.00 0.00 N ATOM 838 CA ILE A 54 -10.587 -10.377 5.670 1.00 0.00 C ATOM 839 C ILE A 54 -11.601 -9.231 5.682 1.00 0.00 C ATOM 840 O ILE A 54 -11.800 -8.556 4.692 1.00 0.00 O ATOM 841 CB ILE A 54 -9.230 -9.864 6.142 1.00 0.00 C ATOM 842 CG1 ILE A 54 -8.717 -8.835 5.133 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.243 -11.030 6.231 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.407 -8.228 5.633 1.00 0.00 C ATOM 0 H ILE A 54 -10.011 -10.251 3.629 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.943 -11.167 6.331 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.328 -9.404 7.126 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.562 -9.309 4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.460 -8.051 4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.274 -10.662 6.568 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.617 -11.770 6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.134 -11.490 5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.046 -7.496 4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.576 -7.739 6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.663 -9.016 5.753 1.00 0.00 H new ATOM 856 N ALA A 55 -12.244 -9.008 6.795 1.00 0.00 N ATOM 857 CA ALA A 55 -13.243 -7.906 6.870 1.00 0.00 C ATOM 858 C ALA A 55 -12.583 -6.667 7.479 1.00 0.00 C ATOM 859 O ALA A 55 -11.804 -6.760 8.407 1.00 0.00 O ATOM 860 CB ALA A 55 -14.420 -8.341 7.744 1.00 0.00 C ATOM 0 H ALA A 55 -12.121 -9.541 7.656 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.605 -7.672 5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.151 -7.534 7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.888 -9.225 7.311 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.062 -8.574 8.747 1.00 0.00 H new ATOM 866 N ALA A 56 -12.885 -5.508 6.963 1.00 0.00 N ATOM 867 CA ALA A 56 -12.271 -4.265 7.510 1.00 0.00 C ATOM 868 C ALA A 56 -12.697 -4.077 8.966 1.00 0.00 C ATOM 869 O ALA A 56 -11.973 -3.522 9.767 1.00 0.00 O ATOM 870 CB ALA A 56 -12.732 -3.063 6.687 1.00 0.00 C ATOM 0 H ALA A 56 -13.531 -5.367 6.186 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.185 -4.348 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.283 -2.154 7.087 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.425 -3.193 5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.818 -2.983 6.736 1.00 0.00 H new ATOM 876 N ASP A 57 -13.868 -4.528 9.318 1.00 0.00 N ATOM 877 CA ASP A 57 -14.334 -4.367 10.719 1.00 0.00 C ATOM 878 C ASP A 57 -13.325 -5.006 11.674 1.00 0.00 C ATOM 879 O ASP A 57 -13.053 -4.491 12.741 1.00 0.00 O ATOM 880 CB ASP A 57 -15.691 -5.048 10.877 1.00 0.00 C ATOM 881 CG ASP A 57 -16.745 -4.283 10.075 1.00 0.00 C ATOM 882 OD1 ASP A 57 -16.443 -3.186 9.632 1.00 0.00 O ATOM 883 OD2 ASP A 57 -17.835 -4.806 9.916 1.00 0.00 O ATOM 0 H ASP A 57 -14.522 -5.001 8.694 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.426 -3.307 10.954 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.634 -6.080 10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.973 -5.080 11.929 1.00 0.00 H new ATOM 888 N ASP A 58 -12.769 -6.126 11.303 1.00 0.00 N ATOM 889 CA ASP A 58 -11.780 -6.798 12.192 1.00 0.00 C ATOM 890 C ASP A 58 -10.574 -5.883 12.417 1.00 0.00 C ATOM 891 O ASP A 58 -10.058 -5.782 13.512 1.00 0.00 O ATOM 892 CB ASP A 58 -11.316 -8.100 11.543 1.00 0.00 C ATOM 893 CG ASP A 58 -12.482 -9.088 11.487 1.00 0.00 C ATOM 894 OD1 ASP A 58 -13.484 -8.829 12.133 1.00 0.00 O ATOM 895 OD2 ASP A 58 -12.355 -10.088 10.798 1.00 0.00 O ATOM 0 H ASP A 58 -12.957 -6.605 10.422 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.250 -7.013 13.152 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.943 -7.904 10.538 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.490 -8.528 12.112 1.00 0.00 H new ATOM 900 N VAL A 59 -10.121 -5.219 11.387 1.00 0.00 N ATOM 901 CA VAL A 59 -8.945 -4.312 11.539 1.00 0.00 C ATOM 902 C VAL A 59 -9.264 -2.945 10.927 1.00 0.00 C ATOM 903 O VAL A 59 -9.776 -2.852 9.830 1.00 0.00 O ATOM 904 CB VAL A 59 -7.740 -4.918 10.823 1.00 0.00 C ATOM 905 CG1 VAL A 59 -6.512 -4.033 11.044 1.00 0.00 C ATOM 906 CG2 VAL A 59 -7.467 -6.317 11.380 1.00 0.00 C ATOM 0 H VAL A 59 -10.514 -5.265 10.447 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.719 -4.190 12.598 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.950 -4.985 9.755 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.653 -4.468 10.532 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.705 -3.037 10.647 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.301 -3.963 12.111 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.607 -6.750 10.869 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.259 -6.249 12.448 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.340 -6.949 11.220 1.00 0.00 H new ATOM 916 N GLU A 60 -8.957 -1.885 11.624 1.00 0.00 N ATOM 917 CA GLU A 60 -9.237 -0.527 11.077 1.00 0.00 C ATOM 918 C GLU A 60 -7.931 0.104 10.590 1.00 0.00 C ATOM 919 O GLU A 60 -6.921 0.059 11.264 1.00 0.00 O ATOM 920 CB GLU A 60 -9.847 0.349 12.174 1.00 0.00 C ATOM 921 CG GLU A 60 -10.263 1.691 11.583 1.00 0.00 C ATOM 922 CD GLU A 60 -10.777 2.605 12.698 1.00 0.00 C ATOM 923 OE1 GLU A 60 -10.767 2.176 13.839 1.00 0.00 O ATOM 924 OE2 GLU A 60 -11.172 3.717 12.390 1.00 0.00 O ATOM 0 H GLU A 60 -8.525 -1.901 12.548 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.936 -0.607 10.245 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.711 -0.150 12.614 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.125 0.501 12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.416 2.156 11.079 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.039 1.544 10.832 1.00 0.00 H new ATOM 931 N LEU A 61 -7.940 0.688 9.424 1.00 0.00 N ATOM 932 CA LEU A 61 -6.703 1.314 8.894 1.00 0.00 C ATOM 933 C LEU A 61 -6.714 2.813 9.206 1.00 0.00 C ATOM 934 O LEU A 61 -7.738 3.463 9.138 1.00 0.00 O ATOM 935 CB LEU A 61 -6.648 1.113 7.381 1.00 0.00 C ATOM 936 CG LEU A 61 -6.786 -0.373 7.052 1.00 0.00 C ATOM 937 CD1 LEU A 61 -6.570 -0.585 5.553 1.00 0.00 C ATOM 938 CD2 LEU A 61 -5.740 -1.171 7.833 1.00 0.00 C ATOM 0 H LEU A 61 -8.755 0.757 8.815 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.832 0.853 9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.447 1.677 6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.706 1.496 6.988 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.784 -0.713 7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.668 -1.645 5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.315 -0.019 4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.572 -0.243 5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.840 -2.230 7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.742 -0.830 7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.892 -1.021 8.902 1.00 0.00 H new ATOM 950 N SER A 62 -5.580 3.366 9.540 1.00 0.00 N ATOM 951 CA SER A 62 -5.513 4.814 9.849 1.00 0.00 C ATOM 952 C SER A 62 -4.757 5.515 8.718 1.00 0.00 C ATOM 953 O SER A 62 -3.974 4.898 8.023 1.00 0.00 O ATOM 954 CB SER A 62 -4.756 4.993 11.165 1.00 0.00 C ATOM 955 OG SER A 62 -5.459 5.901 12.002 1.00 0.00 O ATOM 0 H SER A 62 -4.692 2.869 9.611 1.00 0.00 H new ATOM 0 HA SER A 62 -6.512 5.239 9.941 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.646 4.031 11.666 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.751 5.367 10.970 1.00 0.00 H new ATOM 0 HG SER A 62 -4.947 6.732 12.086 1.00 0.00 H new ATOM 961 N PRO A 63 -4.975 6.788 8.530 1.00 0.00 N ATOM 962 CA PRO A 63 -4.282 7.554 7.464 1.00 0.00 C ATOM 963 C PRO A 63 -2.775 7.295 7.500 1.00 0.00 C ATOM 964 O PRO A 63 -2.075 7.461 6.521 1.00 0.00 O ATOM 965 CB PRO A 63 -4.587 9.027 7.783 1.00 0.00 C ATOM 966 CG PRO A 63 -5.343 9.040 9.077 1.00 0.00 C ATOM 967 CD PRO A 63 -5.891 7.632 9.297 1.00 0.00 C ATOM 0 HA PRO A 63 -4.618 7.268 6.467 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.666 9.603 7.867 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.176 9.482 6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.691 9.331 9.900 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.154 9.767 9.041 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.896 7.363 10.353 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.917 7.540 8.940 1.00 0.00 H new ATOM 975 N GLU A 64 -2.279 6.869 8.631 1.00 0.00 N ATOM 976 CA GLU A 64 -0.829 6.570 8.759 1.00 0.00 C ATOM 977 C GLU A 64 -0.500 5.304 7.976 1.00 0.00 C ATOM 978 O GLU A 64 0.591 5.141 7.474 1.00 0.00 O ATOM 979 CB GLU A 64 -0.484 6.368 10.233 1.00 0.00 C ATOM 980 CG GLU A 64 1.006 6.085 10.379 1.00 0.00 C ATOM 981 CD GLU A 64 1.337 5.825 11.849 1.00 0.00 C ATOM 982 OE1 GLU A 64 0.419 5.833 12.653 1.00 0.00 O ATOM 983 OE2 GLU A 64 2.503 5.624 12.146 1.00 0.00 O ATOM 0 H GLU A 64 -2.825 6.715 9.479 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.246 7.401 8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.753 7.257 10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.063 5.540 10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.283 5.221 9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.585 6.931 10.010 1.00 0.00 H new ATOM 990 N HIS A 65 -1.437 4.407 7.868 1.00 0.00 N ATOM 991 CA HIS A 65 -1.177 3.149 7.121 1.00 0.00 C ATOM 992 C HIS A 65 -0.960 3.482 5.651 1.00 0.00 C ATOM 993 O HIS A 65 -0.446 2.688 4.888 1.00 0.00 O ATOM 994 CB HIS A 65 -2.382 2.219 7.265 1.00 0.00 C ATOM 995 CG HIS A 65 -2.492 1.328 6.056 1.00 0.00 C ATOM 996 ND1 HIS A 65 -2.273 -0.042 6.122 1.00 0.00 N ATOM 997 CD2 HIS A 65 -2.815 1.594 4.747 1.00 0.00 C ATOM 998 CE1 HIS A 65 -2.467 -0.542 4.886 1.00 0.00 C ATOM 999 NE2 HIS A 65 -2.797 0.413 4.017 1.00 0.00 N ATOM 0 H HIS A 65 -2.373 4.491 8.265 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.290 2.655 7.519 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.279 1.613 8.165 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.293 2.806 7.379 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.013 -0.572 6.954 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.047 2.570 4.348 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.367 -1.587 4.631 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.350 4.655 5.251 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.175 5.057 3.834 1.00 0.00 C ATOM 1010 C PHE A 66 0.095 5.894 3.711 1.00 0.00 C ATOM 1011 O PHE A 66 0.320 6.574 2.729 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.385 5.876 3.395 1.00 0.00 C ATOM 1013 CG PHE A 66 -3.644 5.114 3.736 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.061 5.023 5.069 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.395 4.502 2.726 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.226 4.321 5.394 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -5.561 3.799 3.050 1.00 0.00 C ATOM 1018 CZ PHE A 66 -5.977 3.709 4.384 1.00 0.00 C ATOM 0 H PHE A 66 -1.785 5.357 5.849 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.090 4.175 3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.385 6.845 3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.340 6.069 2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.482 5.496 5.848 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.075 4.572 1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.546 4.251 6.423 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.140 3.326 2.271 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.877 3.167 4.633 1.00 0.00 H new ATOM 1028 N ARG A 67 0.923 5.846 4.714 1.00 0.00 N ATOM 1029 CA ARG A 67 2.183 6.628 4.695 1.00 0.00 C ATOM 1030 C ARG A 67 2.940 6.370 3.389 1.00 0.00 C ATOM 1031 O ARG A 67 3.565 7.258 2.844 1.00 0.00 O ATOM 1032 CB ARG A 67 3.032 6.190 5.888 1.00 0.00 C ATOM 1033 CG ARG A 67 3.408 4.714 5.730 1.00 0.00 C ATOM 1034 CD ARG A 67 3.316 4.007 7.086 1.00 0.00 C ATOM 1035 NE ARG A 67 4.225 2.828 7.101 1.00 0.00 N ATOM 1036 CZ ARG A 67 4.048 1.882 7.983 1.00 0.00 C ATOM 1037 NH1 ARG A 67 3.086 1.979 8.860 1.00 0.00 N ATOM 1038 NH2 ARG A 67 4.830 0.837 7.988 1.00 0.00 N ATOM 0 H ARG A 67 0.776 5.290 5.557 1.00 0.00 H new ATOM 0 HA ARG A 67 1.966 7.694 4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.932 6.801 5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.479 6.339 6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.741 4.234 5.013 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.419 4.627 5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.586 4.697 7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.290 3.690 7.272 1.00 0.00 H new ATOM 0 HE ARG A 67 4.984 2.760 6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.473 2.794 8.856 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.948 1.240 9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.581 0.759 7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.690 0.099 8.678 1.00 0.00 H new ATOM 1052 N SER A 68 2.897 5.168 2.880 1.00 0.00 N ATOM 1053 CA SER A 68 3.623 4.881 1.612 1.00 0.00 C ATOM 1054 C SER A 68 3.104 3.581 0.987 1.00 0.00 C ATOM 1055 O SER A 68 2.615 2.702 1.671 1.00 0.00 O ATOM 1056 CB SER A 68 5.114 4.754 1.913 1.00 0.00 C ATOM 1057 OG SER A 68 5.321 3.662 2.801 1.00 0.00 O ATOM 0 H SER A 68 2.394 4.378 3.285 1.00 0.00 H new ATOM 0 HA SER A 68 3.457 5.695 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.672 4.598 0.989 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.487 5.676 2.359 1.00 0.00 H new ATOM 0 HG SER A 68 6.247 3.672 3.121 1.00 0.00 H new ATOM 1063 N ILE A 69 3.212 3.453 -0.309 1.00 0.00 N ATOM 1064 CA ILE A 69 2.738 2.218 -0.989 1.00 0.00 C ATOM 1065 C ILE A 69 3.476 1.015 -0.408 1.00 0.00 C ATOM 1066 O ILE A 69 2.895 -0.016 -0.130 1.00 0.00 O ATOM 1067 CB ILE A 69 3.048 2.324 -2.480 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.523 3.657 -3.010 1.00 0.00 C ATOM 1069 CG2 ILE A 69 2.359 1.181 -3.218 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.674 4.661 -3.132 1.00 0.00 C ATOM 0 H ILE A 69 3.612 4.158 -0.928 1.00 0.00 H new ATOM 0 HA ILE A 69 1.665 2.099 -0.841 1.00 0.00 H new ATOM 0 HB ILE A 69 4.125 2.266 -2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.052 3.511 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.757 4.048 -2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.577 1.252 -4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.725 0.228 -2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.282 1.245 -3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.291 5.609 -3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.126 4.817 -2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.425 4.272 -3.820 1.00 0.00 H new ATOM 1082 N ARG A 70 4.755 1.149 -0.217 1.00 0.00 N ATOM 1083 CA ARG A 70 5.555 0.035 0.355 1.00 0.00 C ATOM 1084 C ARG A 70 4.980 -0.339 1.721 1.00 0.00 C ATOM 1085 O ARG A 70 4.881 -1.499 2.071 1.00 0.00 O ATOM 1086 CB ARG A 70 7.005 0.501 0.513 1.00 0.00 C ATOM 1087 CG ARG A 70 7.028 1.778 1.362 1.00 0.00 C ATOM 1088 CD ARG A 70 8.281 2.606 1.057 1.00 0.00 C ATOM 1089 NE ARG A 70 9.467 1.966 1.692 1.00 0.00 N ATOM 1090 CZ ARG A 70 10.626 2.565 1.661 1.00 0.00 C ATOM 1091 NH1 ARG A 70 10.746 3.725 1.075 1.00 0.00 N ATOM 1092 NH2 ARG A 70 11.666 2.004 2.217 1.00 0.00 N ATOM 0 H ARG A 70 5.286 1.992 -0.435 1.00 0.00 H new ATOM 0 HA ARG A 70 5.520 -0.834 -0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.601 -0.278 0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.448 0.690 -0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.136 2.371 1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.006 1.518 2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.428 2.680 -0.021 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.158 3.622 1.432 1.00 0.00 H new ATOM 0 HE ARG A 70 9.373 1.060 2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.934 4.164 0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.652 4.193 1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.572 1.098 2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.572 2.472 2.193 1.00 0.00 H new ATOM 1106 N SER A 71 4.592 0.638 2.490 1.00 0.00 N ATOM 1107 CA SER A 71 4.012 0.350 3.831 1.00 0.00 C ATOM 1108 C SER A 71 2.711 -0.437 3.675 1.00 0.00 C ATOM 1109 O SER A 71 2.440 -1.358 4.421 1.00 0.00 O ATOM 1110 CB SER A 71 3.717 1.666 4.548 1.00 0.00 C ATOM 1111 OG SER A 71 2.969 1.397 5.725 1.00 0.00 O ATOM 0 H SER A 71 4.652 1.627 2.247 1.00 0.00 H new ATOM 0 HA SER A 71 4.724 -0.237 4.411 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.648 2.173 4.802 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.159 2.334 3.892 1.00 0.00 H new ATOM 0 HG SER A 71 2.107 1.862 5.678 1.00 0.00 H new ATOM 1117 N ILE A 72 1.898 -0.079 2.718 1.00 0.00 N ATOM 1118 CA ILE A 72 0.616 -0.802 2.525 1.00 0.00 C ATOM 1119 C ILE A 72 0.896 -2.281 2.263 1.00 0.00 C ATOM 1120 O ILE A 72 0.306 -3.150 2.872 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.121 -0.198 1.333 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.410 1.280 1.606 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.434 -0.941 1.122 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.038 1.917 0.364 1.00 0.00 C ATOM 0 H ILE A 72 2.070 0.684 2.063 1.00 0.00 H new ATOM 0 HA ILE A 72 0.002 -0.709 3.421 1.00 0.00 H new ATOM 0 HB ILE A 72 0.497 -0.287 0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.083 1.378 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.512 1.799 1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.962 -0.511 0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.229 -1.994 0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.051 -0.850 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.243 2.969 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.349 1.832 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.969 1.404 0.123 1.00 0.00 H new ATOM 1136 N ASP A 73 1.795 -2.576 1.365 1.00 0.00 N ATOM 1137 CA ASP A 73 2.108 -4.001 1.077 1.00 0.00 C ATOM 1138 C ASP A 73 2.614 -4.661 2.359 1.00 0.00 C ATOM 1139 O ASP A 73 2.236 -5.765 2.698 1.00 0.00 O ATOM 1140 CB ASP A 73 3.198 -4.076 0.007 1.00 0.00 C ATOM 1141 CG ASP A 73 3.222 -5.479 -0.602 1.00 0.00 C ATOM 1142 OD1 ASP A 73 2.369 -6.274 -0.244 1.00 0.00 O ATOM 1143 OD2 ASP A 73 4.094 -5.735 -1.417 1.00 0.00 O ATOM 0 H ASP A 73 2.324 -1.894 0.821 1.00 0.00 H new ATOM 0 HA ASP A 73 1.214 -4.513 0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.011 -3.334 -0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.168 -3.842 0.445 1.00 0.00 H new ATOM 1148 N ALA A 74 3.470 -3.983 3.070 1.00 0.00 N ATOM 1149 CA ALA A 74 4.014 -4.550 4.334 1.00 0.00 C ATOM 1150 C ALA A 74 2.901 -4.663 5.376 1.00 0.00 C ATOM 1151 O ALA A 74 2.842 -5.611 6.131 1.00 0.00 O ATOM 1152 CB ALA A 74 5.117 -3.633 4.861 1.00 0.00 C ATOM 0 H ALA A 74 3.818 -3.055 2.828 1.00 0.00 H new ATOM 0 HA ALA A 74 4.421 -5.543 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.520 -4.043 5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.913 -3.559 4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.706 -2.642 5.052 1.00 0.00 H new ATOM 1158 N PHE A 75 2.025 -3.701 5.432 1.00 0.00 N ATOM 1159 CA PHE A 75 0.927 -3.764 6.435 1.00 0.00 C ATOM 1160 C PHE A 75 0.048 -4.984 6.153 1.00 0.00 C ATOM 1161 O PHE A 75 -0.270 -5.750 7.040 1.00 0.00 O ATOM 1162 CB PHE A 75 0.076 -2.499 6.351 1.00 0.00 C ATOM 1163 CG PHE A 75 -0.934 -2.504 7.473 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -2.177 -3.122 7.295 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -0.626 -1.892 8.694 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -3.112 -3.127 8.335 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -1.562 -1.897 9.735 1.00 0.00 C ATOM 1168 CZ PHE A 75 -2.805 -2.514 9.556 1.00 0.00 C ATOM 0 H PHE A 75 2.021 -2.877 4.830 1.00 0.00 H new ATOM 0 HA PHE A 75 1.358 -3.844 7.433 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.710 -1.615 6.420 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.433 -2.452 5.388 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.414 -3.595 6.354 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.334 -1.416 8.833 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.071 -3.604 8.196 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.325 -1.424 10.677 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.527 -2.517 10.359 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.347 -5.171 4.922 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.203 -6.336 4.583 1.00 0.00 C ATOM 1180 C VAL A 76 -0.426 -7.634 4.814 1.00 0.00 C ATOM 1181 O VAL A 76 -0.912 -8.554 5.441 1.00 0.00 O ATOM 1182 CB VAL A 76 -1.607 -6.236 3.113 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -2.240 -7.550 2.676 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -2.616 -5.099 2.938 1.00 0.00 C ATOM 0 H VAL A 76 -0.111 -4.564 4.137 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.091 -6.338 5.215 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.726 -6.035 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.530 -7.483 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.522 -8.360 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.122 -7.749 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.905 -5.027 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.499 -5.300 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.164 -4.159 3.255 1.00 0.00 H new ATOM 1194 N VAL A 77 0.780 -7.715 4.319 1.00 0.00 N ATOM 1195 CA VAL A 77 1.581 -8.949 4.519 1.00 0.00 C ATOM 1196 C VAL A 77 1.985 -9.058 5.989 1.00 0.00 C ATOM 1197 O VAL A 77 1.826 -10.085 6.619 1.00 0.00 O ATOM 1198 CB VAL A 77 2.833 -8.870 3.649 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.723 -10.073 3.932 1.00 0.00 C ATOM 1200 CG2 VAL A 77 2.432 -8.867 2.172 1.00 0.00 C ATOM 0 H VAL A 77 1.242 -6.978 3.786 1.00 0.00 H new ATOM 0 HA VAL A 77 0.993 -9.824 4.242 1.00 0.00 H new ATOM 0 HB VAL A 77 3.376 -7.953 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.617 -10.018 3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.010 -10.074 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.179 -10.990 3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.327 -8.811 1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.888 -9.783 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.795 -8.006 1.970 1.00 0.00 H new ATOM 1210 N GLY A 78 2.511 -7.997 6.534 1.00 0.00 N ATOM 1211 CA GLY A 78 2.940 -8.011 7.961 1.00 0.00 C ATOM 1212 C GLY A 78 1.725 -8.176 8.878 1.00 0.00 C ATOM 1213 O GLY A 78 1.835 -8.665 9.985 1.00 0.00 O ATOM 0 H GLY A 78 2.663 -7.113 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.644 -8.826 8.128 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.462 -7.085 8.200 1.00 0.00 H new ATOM 1217 N ALA A 79 0.572 -7.759 8.437 1.00 0.00 N ATOM 1218 CA ALA A 79 -0.639 -7.883 9.298 1.00 0.00 C ATOM 1219 C ALA A 79 -0.993 -9.357 9.494 1.00 0.00 C ATOM 1220 O ALA A 79 -1.382 -9.773 10.568 1.00 0.00 O ATOM 1221 CB ALA A 79 -1.813 -7.163 8.632 1.00 0.00 C ATOM 0 H ALA A 79 0.415 -7.339 7.521 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.434 -7.432 10.269 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.699 -7.253 9.261 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.567 -6.109 8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.011 -7.613 7.659 1.00 0.00 H new ATOM 1227 N THR A 80 -0.863 -10.151 8.470 1.00 0.00 N ATOM 1228 CA THR A 80 -1.194 -11.596 8.605 1.00 0.00 C ATOM 1229 C THR A 80 -0.008 -12.338 9.222 1.00 0.00 C ATOM 1230 O THR A 80 -0.171 -13.342 9.887 1.00 0.00 O ATOM 1231 CB THR A 80 -1.502 -12.177 7.222 1.00 0.00 C ATOM 1232 OG1 THR A 80 -0.329 -12.137 6.420 1.00 0.00 O ATOM 1233 CG2 THR A 80 -2.609 -11.356 6.555 1.00 0.00 C ATOM 0 H THR A 80 -0.542 -9.863 7.546 1.00 0.00 H new ATOM 0 HA THR A 80 -2.065 -11.712 9.250 1.00 0.00 H new ATOM 0 HB THR A 80 -1.834 -13.210 7.328 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.248 -11.405 6.721 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.827 -11.771 5.571 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.508 -11.390 7.170 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.281 -10.322 6.448 1.00 0.00 H new ATOM 1241 N THR A 81 1.186 -11.852 9.004 1.00 0.00 N ATOM 1242 CA THR A 81 2.384 -12.529 9.574 1.00 0.00 C ATOM 1243 C THR A 81 3.300 -11.488 10.235 1.00 0.00 C ATOM 1244 O THR A 81 3.368 -10.359 9.797 1.00 0.00 O ATOM 1245 CB THR A 81 3.141 -13.234 8.444 1.00 0.00 C ATOM 1246 OG1 THR A 81 4.400 -13.687 8.920 1.00 0.00 O ATOM 1247 CG2 THR A 81 3.357 -12.258 7.287 1.00 0.00 C ATOM 0 H THR A 81 1.381 -11.015 8.455 1.00 0.00 H new ATOM 0 HA THR A 81 2.074 -13.258 10.323 1.00 0.00 H new ATOM 0 HB THR A 81 2.557 -14.087 8.098 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.880 -14.139 8.195 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.896 -12.760 6.483 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.392 -11.913 6.917 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.938 -11.404 7.635 1.00 0.00 H new