USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot 180:sc= -0.08 USER MOD Set 1.2: A 16 MET CE :methyl 157:sc= -0.281 (180deg=-1.64!) USER MOD Set 1.3: A 43 CYS SG : rot -157:sc= -0.818 USER MOD Single : A 9 CYS SG : rot 180:sc= -2.63! USER MOD Single : A 18 GLN : amide:sc= 0.0288 X(o=0.029,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.0957 X(o=-0.096,f=-0.29) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -3.54! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.5) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 7.658 -5.145 -10.069 1.00 0.00 N ATOM 42 CA LEU A 4 8.478 -6.332 -10.280 1.00 0.00 C ATOM 43 C LEU A 4 9.614 -6.043 -11.256 1.00 0.00 C ATOM 44 O LEU A 4 9.601 -6.508 -12.396 1.00 0.00 O ATOM 45 CB LEU A 4 7.619 -7.483 -10.808 1.00 0.00 C ATOM 46 CG LEU A 4 6.377 -7.825 -9.984 1.00 0.00 C ATOM 47 CD1 LEU A 4 5.362 -8.574 -10.834 1.00 0.00 C ATOM 48 CD2 LEU A 4 6.758 -8.644 -8.759 1.00 0.00 C ATOM 0 HA LEU A 4 8.910 -6.619 -9.321 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.302 -7.238 -11.822 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.243 -8.374 -10.876 1.00 0.00 H new ATOM 0 HG LEU A 4 5.921 -6.894 -9.646 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.485 -8.809 -10.231 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.065 -7.952 -11.679 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.807 -9.498 -11.202 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.862 -8.878 -8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.238 -9.570 -9.075 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.447 -8.071 -8.138 1.00 0.00 H new ATOM 60 N ARG A 5 10.596 -5.272 -10.801 1.00 0.00 N ATOM 61 CA ARG A 5 11.741 -4.921 -11.633 1.00 0.00 C ATOM 62 C ARG A 5 12.809 -6.009 -11.575 1.00 0.00 C ATOM 63 O ARG A 5 12.686 -6.975 -10.822 1.00 0.00 O ATOM 64 CB ARG A 5 12.334 -3.585 -11.185 1.00 0.00 C ATOM 65 CG ARG A 5 12.958 -3.629 -9.799 1.00 0.00 C ATOM 66 CD ARG A 5 13.041 -2.243 -9.181 1.00 0.00 C ATOM 67 NE ARG A 5 14.071 -1.422 -9.813 1.00 0.00 N ATOM 68 CZ ARG A 5 15.369 -1.547 -9.559 1.00 0.00 C ATOM 69 NH1 ARG A 5 15.793 -2.454 -8.690 1.00 0.00 N ATOM 70 NH2 ARG A 5 16.245 -0.764 -10.175 1.00 0.00 N ATOM 0 H ARG A 5 10.622 -4.878 -9.860 1.00 0.00 H new ATOM 0 HA ARG A 5 11.395 -4.830 -12.663 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.091 -3.273 -11.905 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.551 -2.827 -11.198 1.00 0.00 H new ATOM 0 HG2 ARG A 5 12.369 -4.281 -9.154 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.957 -4.061 -9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.075 -1.747 -9.273 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.253 -2.333 -8.116 1.00 0.00 H new ATOM 0 HE ARG A 5 13.777 -0.714 -10.486 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.122 -3.058 -8.215 1.00 0.00 H new ATOM 0 HH12 ARG A 5 16.790 -2.548 -8.497 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.922 -0.065 -10.844 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.241 -0.861 -9.979 1.00 0.00 H new ATOM 84 N VAL A 6 13.857 -5.846 -12.376 1.00 0.00 N ATOM 85 CA VAL A 6 14.947 -6.813 -12.416 1.00 0.00 C ATOM 86 C VAL A 6 15.999 -6.499 -11.358 1.00 0.00 C ATOM 87 O VAL A 6 16.522 -5.387 -11.298 1.00 0.00 O ATOM 88 CB VAL A 6 15.621 -6.843 -13.801 1.00 0.00 C ATOM 89 CG1 VAL A 6 16.102 -5.454 -14.191 1.00 0.00 C ATOM 90 CG2 VAL A 6 16.772 -7.837 -13.812 1.00 0.00 C ATOM 0 H VAL A 6 13.974 -5.053 -13.006 1.00 0.00 H new ATOM 0 HA VAL A 6 14.510 -7.791 -12.212 1.00 0.00 H new ATOM 0 HB VAL A 6 14.885 -7.166 -14.537 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.575 -5.495 -15.172 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.253 -4.771 -14.226 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.823 -5.099 -13.455 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.236 -7.845 -14.798 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.511 -7.546 -13.065 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.395 -8.833 -13.581 1.00 0.00 H new ATOM 100 N GLY A 7 16.305 -7.488 -10.524 1.00 0.00 N ATOM 101 CA GLY A 7 17.294 -7.298 -9.479 1.00 0.00 C ATOM 102 C GLY A 7 16.664 -7.082 -8.117 1.00 0.00 C ATOM 103 O GLY A 7 17.341 -7.162 -7.091 1.00 0.00 O ATOM 0 H GLY A 7 15.886 -8.417 -10.553 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.948 -8.169 -9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.920 -6.441 -9.727 1.00 0.00 H new ATOM 107 N LEU A 8 15.365 -6.805 -8.105 1.00 0.00 N ATOM 108 CA LEU A 8 14.643 -6.575 -6.859 1.00 0.00 C ATOM 109 C LEU A 8 14.815 -7.752 -5.904 1.00 0.00 C ATOM 110 O LEU A 8 14.724 -7.595 -4.686 1.00 0.00 O ATOM 111 CB LEU A 8 13.157 -6.346 -7.142 1.00 0.00 C ATOM 112 CG LEU A 8 12.313 -7.603 -7.353 1.00 0.00 C ATOM 113 CD1 LEU A 8 11.735 -8.086 -6.031 1.00 0.00 C ATOM 114 CD2 LEU A 8 11.201 -7.337 -8.357 1.00 0.00 C ATOM 0 H LEU A 8 14.790 -6.734 -8.944 1.00 0.00 H new ATOM 0 HA LEU A 8 15.058 -5.685 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.732 -5.782 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.069 -5.720 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 8 12.957 -8.386 -7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.137 -8.982 -6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.547 -8.317 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.106 -7.306 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.611 -8.243 -8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.559 -6.538 -7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.636 -7.039 -9.311 1.00 0.00 H new ATOM 126 N CYS A 9 15.066 -8.929 -6.465 1.00 0.00 N ATOM 127 CA CYS A 9 15.253 -10.134 -5.664 1.00 0.00 C ATOM 128 C CYS A 9 16.272 -11.065 -6.312 1.00 0.00 C ATOM 129 O CYS A 9 16.503 -11.028 -7.521 1.00 0.00 O ATOM 130 CB CYS A 9 13.921 -10.862 -5.482 1.00 0.00 C ATOM 131 SG CYS A 9 12.988 -11.087 -7.014 1.00 0.00 S ATOM 0 H CYS A 9 15.145 -9.075 -7.471 1.00 0.00 H new ATOM 0 HA CYS A 9 15.632 -9.836 -4.686 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.111 -11.839 -5.038 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.308 -10.304 -4.774 1.00 0.00 H new ATOM 0 HG CYS A 9 11.878 -11.714 -6.758 1.00 0.00 H new ATOM 137 N PRO A 10 16.898 -11.921 -5.491 1.00 0.00 N ATOM 138 CA PRO A 10 17.904 -12.878 -5.962 1.00 0.00 C ATOM 139 C PRO A 10 17.295 -13.988 -6.812 1.00 0.00 C ATOM 140 O PRO A 10 16.931 -15.046 -6.301 1.00 0.00 O ATOM 141 CB PRO A 10 18.481 -13.453 -4.666 1.00 0.00 C ATOM 142 CG PRO A 10 17.395 -13.284 -3.660 1.00 0.00 C ATOM 143 CD PRO A 10 16.673 -12.020 -4.039 1.00 0.00 C ATOM 0 HA PRO A 10 18.648 -12.405 -6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.751 -14.502 -4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.385 -12.923 -4.366 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.718 -14.138 -3.669 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.804 -13.213 -2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.611 -12.077 -3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 10 17.073 -11.155 -3.510 1.00 0.00 H new ATOM 151 N GLY A 11 17.186 -13.738 -8.114 1.00 0.00 N ATOM 152 CA GLY A 11 16.621 -14.726 -9.014 1.00 0.00 C ATOM 153 C GLY A 11 16.046 -14.103 -10.271 1.00 0.00 C ATOM 154 O GLY A 11 16.261 -14.605 -11.375 1.00 0.00 O ATOM 0 H GLY A 11 17.479 -12.869 -8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 11 17.392 -15.446 -9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.838 -15.280 -8.496 1.00 0.00 H new ATOM 158 N LEU A 12 15.313 -13.008 -10.104 1.00 0.00 N ATOM 159 CA LEU A 12 14.703 -12.316 -11.235 1.00 0.00 C ATOM 160 C LEU A 12 15.770 -11.724 -12.150 1.00 0.00 C ATOM 161 O LEU A 12 16.710 -11.075 -11.688 1.00 0.00 O ATOM 162 CB LEU A 12 13.770 -11.211 -10.739 1.00 0.00 C ATOM 163 CG LEU A 12 12.304 -11.604 -10.551 1.00 0.00 C ATOM 164 CD1 LEU A 12 11.504 -10.434 -10.001 1.00 0.00 C ATOM 165 CD2 LEU A 12 11.709 -12.088 -11.866 1.00 0.00 C ATOM 0 H LEU A 12 15.126 -12.580 -9.197 1.00 0.00 H new ATOM 0 HA LEU A 12 14.124 -13.043 -11.805 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.151 -10.841 -9.787 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.815 -10.381 -11.444 1.00 0.00 H new ATOM 0 HG LEU A 12 12.256 -12.421 -9.831 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.463 -10.732 -9.874 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.915 -10.133 -9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.559 -9.597 -10.697 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.665 -12.363 -11.714 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.770 -11.292 -12.608 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.265 -12.956 -12.220 1.00 0.00 H new ATOM 177 N THR A 13 15.618 -11.949 -13.451 1.00 0.00 N ATOM 178 CA THR A 13 16.568 -11.437 -14.432 1.00 0.00 C ATOM 179 C THR A 13 15.883 -10.505 -15.425 1.00 0.00 C ATOM 180 O THR A 13 14.656 -10.464 -15.507 1.00 0.00 O ATOM 181 CB THR A 13 17.249 -12.582 -15.205 1.00 0.00 C ATOM 182 OG1 THR A 13 16.260 -13.469 -15.739 1.00 0.00 O ATOM 183 CG2 THR A 13 18.197 -13.356 -14.302 1.00 0.00 C ATOM 0 H THR A 13 14.846 -12.483 -13.850 1.00 0.00 H new ATOM 0 HA THR A 13 17.325 -10.881 -13.879 1.00 0.00 H new ATOM 0 HB THR A 13 17.825 -12.147 -16.022 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.701 -14.193 -16.230 1.00 0.00 H new ATOM 0 HG21 THR A 13 18.666 -14.159 -14.870 1.00 0.00 H new ATOM 0 HG22 THR A 13 18.966 -12.684 -13.921 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.639 -13.780 -13.467 1.00 0.00 H new ATOM 191 N GLU A 14 16.685 -9.758 -16.178 1.00 0.00 N ATOM 192 CA GLU A 14 16.155 -8.826 -17.166 1.00 0.00 C ATOM 193 C GLU A 14 15.294 -9.555 -18.194 1.00 0.00 C ATOM 194 O GLU A 14 14.381 -8.972 -18.778 1.00 0.00 O ATOM 195 CB GLU A 14 17.297 -8.090 -17.870 1.00 0.00 C ATOM 196 CG GLU A 14 16.824 -7.051 -18.872 1.00 0.00 C ATOM 197 CD GLU A 14 17.956 -6.188 -19.396 1.00 0.00 C ATOM 198 OE1 GLU A 14 18.811 -6.718 -20.136 1.00 0.00 O ATOM 199 OE2 GLU A 14 17.987 -4.984 -19.066 1.00 0.00 O ATOM 0 H GLU A 14 17.703 -9.780 -16.122 1.00 0.00 H new ATOM 0 HA GLU A 14 15.531 -8.099 -16.645 1.00 0.00 H new ATOM 0 HB2 GLU A 14 17.921 -7.602 -17.121 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.926 -8.818 -18.383 1.00 0.00 H new ATOM 0 HG2 GLU A 14 16.338 -7.553 -19.708 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.074 -6.414 -18.403 1.00 0.00 H new ATOM 206 N GLU A 15 15.594 -10.832 -18.410 1.00 0.00 N ATOM 207 CA GLU A 15 14.849 -11.639 -19.369 1.00 0.00 C ATOM 208 C GLU A 15 13.436 -11.917 -18.864 1.00 0.00 C ATOM 209 O GLU A 15 12.473 -11.875 -19.629 1.00 0.00 O ATOM 210 CB GLU A 15 15.577 -12.959 -19.632 1.00 0.00 C ATOM 211 CG GLU A 15 15.231 -13.588 -20.971 1.00 0.00 C ATOM 212 CD GLU A 15 15.660 -12.732 -22.147 1.00 0.00 C ATOM 213 OE1 GLU A 15 16.856 -12.380 -22.220 1.00 0.00 O ATOM 214 OE2 GLU A 15 14.799 -12.414 -22.993 1.00 0.00 O ATOM 0 H GLU A 15 16.347 -11.329 -17.934 1.00 0.00 H new ATOM 0 HA GLU A 15 14.780 -11.078 -20.301 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.652 -12.786 -19.588 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.335 -13.663 -18.836 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.710 -14.565 -21.044 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.155 -13.756 -21.022 1.00 0.00 H new ATOM 221 N MET A 16 13.321 -12.202 -17.571 1.00 0.00 N ATOM 222 CA MET A 16 12.026 -12.487 -16.963 1.00 0.00 C ATOM 223 C MET A 16 11.091 -11.289 -17.091 1.00 0.00 C ATOM 224 O MET A 16 9.874 -11.448 -17.189 1.00 0.00 O ATOM 225 CB MET A 16 12.201 -12.858 -15.489 1.00 0.00 C ATOM 226 CG MET A 16 12.828 -14.226 -15.277 1.00 0.00 C ATOM 227 SD MET A 16 12.526 -14.879 -13.624 1.00 0.00 S ATOM 228 CE MET A 16 14.068 -15.736 -13.312 1.00 0.00 C ATOM 0 H MET A 16 14.109 -12.242 -16.924 1.00 0.00 H new ATOM 0 HA MET A 16 11.582 -13.330 -17.491 1.00 0.00 H new ATOM 0 HB2 MET A 16 12.821 -12.104 -15.004 1.00 0.00 H new ATOM 0 HB3 MET A 16 11.228 -12.834 -14.999 1.00 0.00 H new ATOM 0 HG2 MET A 16 12.431 -14.922 -16.016 1.00 0.00 H new ATOM 0 HG3 MET A 16 13.903 -14.159 -15.446 1.00 0.00 H new ATOM 0 HE1 MET A 16 14.217 -15.837 -12.237 1.00 0.00 H new ATOM 0 HE2 MET A 16 14.033 -16.725 -13.768 1.00 0.00 H new ATOM 0 HE3 MET A 16 14.893 -15.167 -13.741 1.00 0.00 H new ATOM 238 N ILE A 17 11.667 -10.091 -17.090 1.00 0.00 N ATOM 239 CA ILE A 17 10.884 -8.867 -17.206 1.00 0.00 C ATOM 240 C ILE A 17 10.322 -8.706 -18.615 1.00 0.00 C ATOM 241 O ILE A 17 9.198 -8.238 -18.795 1.00 0.00 O ATOM 242 CB ILE A 17 11.724 -7.626 -16.856 1.00 0.00 C ATOM 243 CG1 ILE A 17 12.550 -7.882 -15.593 1.00 0.00 C ATOM 244 CG2 ILE A 17 10.825 -6.412 -16.670 1.00 0.00 C ATOM 245 CD1 ILE A 17 11.722 -8.330 -14.410 1.00 0.00 C ATOM 0 H ILE A 17 12.673 -9.942 -17.010 1.00 0.00 H new ATOM 0 HA ILE A 17 10.061 -8.950 -16.496 1.00 0.00 H new ATOM 0 HB ILE A 17 12.408 -7.424 -17.681 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.302 -8.641 -15.808 1.00 0.00 H new ATOM 0 HG13 ILE A 17 13.085 -6.970 -15.327 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.434 -5.543 -16.423 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.277 -6.221 -17.592 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.119 -6.602 -15.861 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.373 -8.493 -13.551 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.987 -7.562 -14.168 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.208 -9.259 -14.657 1.00 0.00 H new ATOM 257 N GLN A 18 11.112 -9.099 -19.609 1.00 0.00 N ATOM 258 CA GLN A 18 10.692 -8.999 -21.002 1.00 0.00 C ATOM 259 C GLN A 18 9.496 -9.904 -21.277 1.00 0.00 C ATOM 260 O GLN A 18 8.499 -9.474 -21.858 1.00 0.00 O ATOM 261 CB GLN A 18 11.849 -9.366 -21.933 1.00 0.00 C ATOM 262 CG GLN A 18 11.439 -9.499 -23.390 1.00 0.00 C ATOM 263 CD GLN A 18 12.542 -9.091 -24.347 1.00 0.00 C ATOM 264 OE1 GLN A 18 12.335 -8.262 -25.234 1.00 0.00 O ATOM 265 NE2 GLN A 18 13.723 -9.672 -24.172 1.00 0.00 N ATOM 0 H GLN A 18 12.045 -9.489 -19.476 1.00 0.00 H new ATOM 0 HA GLN A 18 10.395 -7.968 -21.192 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.626 -8.606 -21.851 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.288 -10.307 -21.600 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.153 -10.532 -23.590 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.558 -8.883 -23.573 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.850 -10.354 -23.424 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.503 -9.437 -24.786 1.00 0.00 H new ATOM 274 N LEU A 19 9.602 -11.160 -20.855 1.00 0.00 N ATOM 275 CA LEU A 19 8.529 -12.127 -21.056 1.00 0.00 C ATOM 276 C LEU A 19 7.326 -11.797 -20.178 1.00 0.00 C ATOM 277 O LEU A 19 6.179 -12.002 -20.575 1.00 0.00 O ATOM 278 CB LEU A 19 9.026 -13.541 -20.749 1.00 0.00 C ATOM 279 CG LEU A 19 9.065 -13.933 -19.272 1.00 0.00 C ATOM 280 CD1 LEU A 19 7.737 -14.540 -18.846 1.00 0.00 C ATOM 281 CD2 LEU A 19 10.207 -14.903 -19.007 1.00 0.00 C ATOM 0 H LEU A 19 10.420 -11.532 -20.372 1.00 0.00 H new ATOM 0 HA LEU A 19 8.218 -12.076 -22.100 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.388 -14.251 -21.276 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.030 -13.649 -21.159 1.00 0.00 H new ATOM 0 HG LEU A 19 9.236 -13.033 -18.681 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.783 -14.813 -17.792 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.939 -13.813 -18.998 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.536 -15.430 -19.443 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.219 -15.171 -17.950 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.068 -15.802 -19.608 1.00 0.00 H new ATOM 0 HD23 LEU A 19 11.153 -14.432 -19.273 1.00 0.00 H new ATOM 293 N LEU A 20 7.597 -11.282 -18.983 1.00 0.00 N ATOM 294 CA LEU A 20 6.537 -10.920 -18.049 1.00 0.00 C ATOM 295 C LEU A 20 5.712 -9.754 -18.585 1.00 0.00 C ATOM 296 O LEU A 20 4.484 -9.763 -18.509 1.00 0.00 O ATOM 297 CB LEU A 20 7.133 -10.554 -16.688 1.00 0.00 C ATOM 298 CG LEU A 20 7.386 -11.720 -15.731 1.00 0.00 C ATOM 299 CD1 LEU A 20 8.398 -11.326 -14.667 1.00 0.00 C ATOM 300 CD2 LEU A 20 6.084 -12.176 -15.090 1.00 0.00 C ATOM 0 H LEU A 20 8.541 -11.106 -18.639 1.00 0.00 H new ATOM 0 HA LEU A 20 5.880 -11.782 -17.932 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.077 -10.035 -16.855 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.463 -9.847 -16.199 1.00 0.00 H new ATOM 0 HG LEU A 20 7.796 -12.552 -16.303 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.566 -12.168 -13.995 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.338 -11.049 -15.144 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.016 -10.478 -14.098 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.283 -13.006 -14.412 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.644 -11.349 -14.532 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.390 -12.500 -15.866 1.00 0.00 H new ATOM 312 N ARG A 21 6.397 -8.752 -19.129 1.00 0.00 N ATOM 313 CA ARG A 21 5.727 -7.580 -19.679 1.00 0.00 C ATOM 314 C ARG A 21 5.006 -7.926 -20.978 1.00 0.00 C ATOM 315 O ARG A 21 4.005 -7.302 -21.329 1.00 0.00 O ATOM 316 CB ARG A 21 6.738 -6.459 -19.927 1.00 0.00 C ATOM 317 CG ARG A 21 6.133 -5.066 -19.854 1.00 0.00 C ATOM 318 CD ARG A 21 7.159 -4.036 -19.409 1.00 0.00 C ATOM 319 NE ARG A 21 6.619 -2.679 -19.435 1.00 0.00 N ATOM 320 CZ ARG A 21 6.453 -1.976 -20.550 1.00 0.00 C ATOM 321 NH1 ARG A 21 6.782 -2.499 -21.723 1.00 0.00 N ATOM 322 NH2 ARG A 21 5.955 -0.747 -20.492 1.00 0.00 N ATOM 0 H ARG A 21 7.414 -8.729 -19.200 1.00 0.00 H new ATOM 0 HA ARG A 21 4.988 -7.240 -18.953 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.541 -6.536 -19.194 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.189 -6.599 -20.909 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.737 -4.788 -20.831 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.293 -5.069 -19.159 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.496 -4.273 -18.400 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.033 -4.091 -20.058 1.00 0.00 H new ATOM 0 HE ARG A 21 6.355 -2.248 -18.549 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.164 -3.444 -21.771 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.653 -1.957 -22.577 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.700 -0.342 -19.591 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.828 -0.207 -21.348 1.00 0.00 H new ATOM 336 N SER A 22 5.523 -8.923 -21.689 1.00 0.00 N ATOM 337 CA SER A 22 4.931 -9.349 -22.952 1.00 0.00 C ATOM 338 C SER A 22 3.478 -9.771 -22.756 1.00 0.00 C ATOM 339 O SER A 22 2.660 -9.664 -23.670 1.00 0.00 O ATOM 340 CB SER A 22 5.734 -10.506 -23.551 1.00 0.00 C ATOM 341 OG SER A 22 5.124 -10.990 -24.735 1.00 0.00 O ATOM 0 H SER A 22 6.351 -9.451 -21.412 1.00 0.00 H new ATOM 0 HA SER A 22 4.956 -8.504 -23.640 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.749 -10.174 -23.770 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.814 -11.313 -22.823 1.00 0.00 H new ATOM 0 HG SER A 22 5.657 -11.728 -25.099 1.00 0.00 H new ATOM 347 N HIS A 23 3.165 -10.251 -21.557 1.00 0.00 N ATOM 348 CA HIS A 23 1.810 -10.689 -21.239 1.00 0.00 C ATOM 349 C HIS A 23 0.993 -9.544 -20.647 1.00 0.00 C ATOM 350 O HIS A 23 -0.089 -9.759 -20.101 1.00 0.00 O ATOM 351 CB HIS A 23 1.848 -11.863 -20.260 1.00 0.00 C ATOM 352 CG HIS A 23 1.189 -13.102 -20.785 1.00 0.00 C ATOM 353 ND1 HIS A 23 1.396 -13.581 -22.061 1.00 0.00 N ATOM 354 CD2 HIS A 23 0.325 -13.962 -20.197 1.00 0.00 C ATOM 355 CE1 HIS A 23 0.686 -14.681 -22.237 1.00 0.00 C ATOM 356 NE2 HIS A 23 0.028 -14.935 -21.120 1.00 0.00 N ATOM 0 H HIS A 23 3.830 -10.347 -20.790 1.00 0.00 H new ATOM 0 HA HIS A 23 1.333 -11.012 -22.164 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.886 -12.089 -20.016 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.360 -11.567 -19.331 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.059 -13.896 -19.190 1.00 0.00 H new ATOM 0 HE1 HIS A 23 0.650 -15.272 -23.140 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -0.599 -15.725 -20.968 1.00 0.00 H new ATOM 364 N ARG A 24 1.520 -8.329 -20.760 1.00 0.00 N ATOM 365 CA ARG A 24 0.840 -7.151 -20.234 1.00 0.00 C ATOM 366 C ARG A 24 0.523 -7.322 -18.751 1.00 0.00 C ATOM 367 O ARG A 24 -0.485 -6.815 -18.259 1.00 0.00 O ATOM 368 CB ARG A 24 -0.449 -6.888 -21.015 1.00 0.00 C ATOM 369 CG ARG A 24 -0.256 -6.878 -22.523 1.00 0.00 C ATOM 370 CD ARG A 24 -1.491 -6.354 -23.238 1.00 0.00 C ATOM 371 NE ARG A 24 -1.694 -4.926 -23.006 1.00 0.00 N ATOM 372 CZ ARG A 24 -2.827 -4.291 -23.281 1.00 0.00 C ATOM 373 NH1 ARG A 24 -3.855 -4.953 -23.795 1.00 0.00 N ATOM 374 NH2 ARG A 24 -2.935 -2.990 -23.042 1.00 0.00 N ATOM 0 H ARG A 24 2.414 -8.135 -21.210 1.00 0.00 H new ATOM 0 HA ARG A 24 1.507 -6.297 -20.349 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.183 -7.651 -20.756 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.863 -5.929 -20.704 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.604 -6.258 -22.777 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.034 -7.887 -22.869 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.395 -6.537 -24.308 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.368 -6.905 -22.898 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.923 -4.387 -22.611 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.776 -5.953 -23.980 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.724 -4.462 -24.005 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.147 -2.477 -22.647 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.806 -2.503 -23.254 1.00 0.00 H new ATOM 388 N ILE A 25 1.390 -8.041 -18.046 1.00 0.00 N ATOM 389 CA ILE A 25 1.203 -8.278 -16.620 1.00 0.00 C ATOM 390 C ILE A 25 1.390 -6.994 -15.819 1.00 0.00 C ATOM 391 O ILE A 25 2.169 -6.119 -16.200 1.00 0.00 O ATOM 392 CB ILE A 25 2.181 -9.345 -16.093 1.00 0.00 C ATOM 393 CG1 ILE A 25 2.014 -10.650 -16.874 1.00 0.00 C ATOM 394 CG2 ILE A 25 1.960 -9.578 -14.606 1.00 0.00 C ATOM 395 CD1 ILE A 25 2.833 -11.795 -16.318 1.00 0.00 C ATOM 0 H ILE A 25 2.228 -8.469 -18.439 1.00 0.00 H new ATOM 0 HA ILE A 25 0.182 -8.638 -16.492 1.00 0.00 H new ATOM 0 HB ILE A 25 3.200 -8.986 -16.236 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.961 -10.933 -16.873 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.298 -10.481 -17.913 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.659 -10.335 -14.248 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.124 -8.647 -14.063 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.938 -9.920 -14.439 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.666 -12.688 -16.920 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.891 -11.532 -16.344 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.533 -11.990 -15.288 1.00 0.00 H new ATOM 407 N LYS A 26 0.672 -6.887 -14.706 1.00 0.00 N ATOM 408 CA LYS A 26 0.760 -5.711 -13.848 1.00 0.00 C ATOM 409 C LYS A 26 1.889 -5.861 -12.834 1.00 0.00 C ATOM 410 O LYS A 26 2.681 -6.801 -12.905 1.00 0.00 O ATOM 411 CB LYS A 26 -0.567 -5.486 -13.120 1.00 0.00 C ATOM 412 CG LYS A 26 -1.258 -4.188 -13.502 1.00 0.00 C ATOM 413 CD LYS A 26 -2.070 -4.343 -14.777 1.00 0.00 C ATOM 414 CE LYS A 26 -3.183 -3.310 -14.858 1.00 0.00 C ATOM 415 NZ LYS A 26 -2.653 -1.941 -15.110 1.00 0.00 N ATOM 0 H LYS A 26 0.022 -7.601 -14.377 1.00 0.00 H new ATOM 0 HA LYS A 26 0.973 -4.847 -14.478 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.235 -6.320 -13.334 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.387 -5.489 -12.045 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.912 -3.870 -12.690 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.513 -3.404 -13.637 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.414 -4.241 -15.642 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.498 -5.345 -14.817 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.875 -3.584 -15.654 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.750 -3.314 -13.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.443 -1.266 -15.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.012 -1.669 -14.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.133 -1.930 -16.011 1.00 0.00 H new ATOM 429 N THR A 27 1.957 -4.928 -11.889 1.00 0.00 N ATOM 430 CA THR A 27 2.989 -4.957 -10.861 1.00 0.00 C ATOM 431 C THR A 27 2.751 -6.094 -9.874 1.00 0.00 C ATOM 432 O THR A 27 1.812 -6.875 -10.026 1.00 0.00 O ATOM 433 CB THR A 27 3.049 -3.625 -10.088 1.00 0.00 C ATOM 434 OG1 THR A 27 1.742 -3.267 -9.627 1.00 0.00 O ATOM 435 CG2 THR A 27 3.605 -2.514 -10.966 1.00 0.00 C ATOM 0 H THR A 27 1.309 -4.143 -11.815 1.00 0.00 H new ATOM 0 HA THR A 27 3.939 -5.116 -11.371 1.00 0.00 H new ATOM 0 HB THR A 27 3.712 -3.756 -9.233 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.789 -2.421 -9.135 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.638 -1.584 -10.399 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.612 -2.776 -11.291 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.964 -2.385 -11.838 1.00 0.00 H new ATOM 443 N VAL A 28 3.607 -6.181 -8.860 1.00 0.00 N ATOM 444 CA VAL A 28 3.488 -7.222 -7.847 1.00 0.00 C ATOM 445 C VAL A 28 2.053 -7.340 -7.346 1.00 0.00 C ATOM 446 O VAL A 28 1.612 -8.416 -6.940 1.00 0.00 O ATOM 447 CB VAL A 28 4.417 -6.948 -6.649 1.00 0.00 C ATOM 448 CG1 VAL A 28 3.950 -5.722 -5.880 1.00 0.00 C ATOM 449 CG2 VAL A 28 4.485 -8.165 -5.739 1.00 0.00 C ATOM 0 H VAL A 28 4.390 -5.543 -8.719 1.00 0.00 H new ATOM 0 HA VAL A 28 3.783 -8.159 -8.320 1.00 0.00 H new ATOM 0 HB VAL A 28 5.420 -6.749 -7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.619 -5.544 -5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.958 -4.854 -6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.938 -5.888 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.146 -7.954 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.487 -8.398 -5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.871 -9.017 -6.299 1.00 0.00 H new ATOM 459 N VAL A 29 1.327 -6.227 -7.378 1.00 0.00 N ATOM 460 CA VAL A 29 -0.060 -6.205 -6.929 1.00 0.00 C ATOM 461 C VAL A 29 -0.892 -7.248 -7.666 1.00 0.00 C ATOM 462 O VAL A 29 -1.705 -7.948 -7.063 1.00 0.00 O ATOM 463 CB VAL A 29 -0.695 -4.817 -7.135 1.00 0.00 C ATOM 464 CG1 VAL A 29 0.011 -3.775 -6.281 1.00 0.00 C ATOM 465 CG2 VAL A 29 -0.658 -4.428 -8.605 1.00 0.00 C ATOM 0 H VAL A 29 1.677 -5.328 -7.710 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.052 -6.437 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.738 -4.863 -6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.451 -2.801 -6.440 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.072 -4.049 -5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.063 -3.727 -6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.111 -3.445 -8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.376 -4.399 -8.948 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.213 -5.162 -9.190 1.00 0.00 H new ATOM 475 N ASP A 30 -0.684 -7.345 -8.974 1.00 0.00 N ATOM 476 CA ASP A 30 -1.415 -8.304 -9.795 1.00 0.00 C ATOM 477 C ASP A 30 -0.930 -9.726 -9.532 1.00 0.00 C ATOM 478 O ASP A 30 -1.704 -10.681 -9.606 1.00 0.00 O ATOM 479 CB ASP A 30 -1.255 -7.964 -11.278 1.00 0.00 C ATOM 480 CG ASP A 30 -1.760 -9.071 -12.183 1.00 0.00 C ATOM 481 OD1 ASP A 30 -2.958 -9.048 -12.537 1.00 0.00 O ATOM 482 OD2 ASP A 30 -0.957 -9.958 -12.539 1.00 0.00 O ATOM 0 H ASP A 30 -0.016 -6.772 -9.489 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.470 -8.244 -9.528 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.796 -7.044 -11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.203 -7.774 -11.493 1.00 0.00 H new ATOM 487 N LEU A 31 0.356 -9.860 -9.224 1.00 0.00 N ATOM 488 CA LEU A 31 0.945 -11.166 -8.950 1.00 0.00 C ATOM 489 C LEU A 31 0.139 -11.916 -7.894 1.00 0.00 C ATOM 490 O LEU A 31 0.007 -13.139 -7.952 1.00 0.00 O ATOM 491 CB LEU A 31 2.393 -11.006 -8.484 1.00 0.00 C ATOM 492 CG LEU A 31 3.293 -12.231 -8.657 1.00 0.00 C ATOM 493 CD1 LEU A 31 4.726 -11.806 -8.936 1.00 0.00 C ATOM 494 CD2 LEU A 31 3.228 -13.117 -7.421 1.00 0.00 C ATOM 0 H LEU A 31 1.010 -9.080 -9.158 1.00 0.00 H new ATOM 0 HA LEU A 31 0.928 -11.746 -9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.839 -10.173 -9.028 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.386 -10.731 -7.429 1.00 0.00 H new ATOM 0 HG LEU A 31 2.934 -12.805 -9.511 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.351 -12.691 -9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.758 -11.212 -9.850 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.097 -11.210 -8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.874 -13.984 -7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.562 -12.552 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.202 -13.450 -7.266 1.00 0.00 H new ATOM 506 N VAL A 32 -0.399 -11.175 -6.931 1.00 0.00 N ATOM 507 CA VAL A 32 -1.195 -11.769 -5.863 1.00 0.00 C ATOM 508 C VAL A 32 -2.325 -12.622 -6.430 1.00 0.00 C ATOM 509 O VAL A 32 -2.783 -13.568 -5.790 1.00 0.00 O ATOM 510 CB VAL A 32 -1.793 -10.690 -4.942 1.00 0.00 C ATOM 511 CG1 VAL A 32 -0.732 -9.671 -4.554 1.00 0.00 C ATOM 512 CG2 VAL A 32 -2.975 -10.010 -5.616 1.00 0.00 C ATOM 0 H VAL A 32 -0.298 -10.162 -6.868 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.524 -12.400 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.150 -11.171 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.173 -8.916 -3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.080 -10.173 -4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.342 -9.192 -5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.385 -9.250 -4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.645 -9.541 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.743 -10.751 -5.838 1.00 0.00 H new ATOM 522 N SER A 33 -2.769 -12.280 -7.635 1.00 0.00 N ATOM 523 CA SER A 33 -3.849 -13.012 -8.287 1.00 0.00 C ATOM 524 C SER A 33 -3.306 -13.901 -9.401 1.00 0.00 C ATOM 525 O SER A 33 -3.926 -14.897 -9.773 1.00 0.00 O ATOM 526 CB SER A 33 -4.883 -12.038 -8.855 1.00 0.00 C ATOM 527 OG SER A 33 -5.767 -12.696 -9.746 1.00 0.00 O ATOM 0 H SER A 33 -2.398 -11.501 -8.179 1.00 0.00 H new ATOM 0 HA SER A 33 -4.328 -13.645 -7.541 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.451 -11.589 -8.040 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.375 -11.226 -9.375 1.00 0.00 H new ATOM 0 HG SER A 33 -6.419 -12.053 -10.094 1.00 0.00 H new ATOM 533 N ALA A 34 -2.143 -13.534 -9.930 1.00 0.00 N ATOM 534 CA ALA A 34 -1.515 -14.299 -11.000 1.00 0.00 C ATOM 535 C ALA A 34 -1.258 -15.738 -10.568 1.00 0.00 C ATOM 536 O ALA A 34 -1.534 -16.113 -9.429 1.00 0.00 O ATOM 537 CB ALA A 34 -0.215 -13.635 -11.430 1.00 0.00 C ATOM 0 H ALA A 34 -1.617 -12.712 -9.635 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.199 -14.319 -11.849 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.244 -14.217 -12.230 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.423 -12.627 -11.788 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.466 -13.585 -10.581 1.00 0.00 H new ATOM 543 N ASP A 35 -0.730 -16.541 -11.486 1.00 0.00 N ATOM 544 CA ASP A 35 -0.435 -17.940 -11.200 1.00 0.00 C ATOM 545 C ASP A 35 1.045 -18.130 -10.884 1.00 0.00 C ATOM 546 O ASP A 35 1.751 -18.859 -11.583 1.00 0.00 O ATOM 547 CB ASP A 35 -0.834 -18.820 -12.385 1.00 0.00 C ATOM 548 CG ASP A 35 -0.337 -18.270 -13.707 1.00 0.00 C ATOM 549 OD1 ASP A 35 0.635 -17.486 -13.696 1.00 0.00 O ATOM 550 OD2 ASP A 35 -0.919 -18.625 -14.754 1.00 0.00 O ATOM 0 H ASP A 35 -0.498 -16.247 -12.435 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.015 -18.237 -10.326 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.435 -19.824 -12.239 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.920 -18.910 -12.417 1.00 0.00 H new ATOM 555 N LEU A 36 1.509 -17.471 -9.829 1.00 0.00 N ATOM 556 CA LEU A 36 2.907 -17.566 -9.421 1.00 0.00 C ATOM 557 C LEU A 36 3.305 -19.018 -9.179 1.00 0.00 C ATOM 558 O LEU A 36 4.431 -19.419 -9.471 1.00 0.00 O ATOM 559 CB LEU A 36 3.146 -16.742 -8.154 1.00 0.00 C ATOM 560 CG LEU A 36 4.557 -16.182 -7.975 1.00 0.00 C ATOM 561 CD1 LEU A 36 5.567 -17.311 -7.841 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.922 -15.273 -9.140 1.00 0.00 C ATOM 0 H LEU A 36 0.938 -16.865 -9.240 1.00 0.00 H new ATOM 0 HA LEU A 36 3.524 -17.169 -10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.443 -15.909 -8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.911 -17.364 -7.290 1.00 0.00 H new ATOM 0 HG LEU A 36 4.579 -15.592 -7.059 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.566 -16.893 -7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.317 -17.922 -6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.543 -17.929 -8.739 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.930 -14.883 -8.996 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.882 -15.840 -10.070 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.216 -14.444 -9.190 1.00 0.00 H new ATOM 574 N GLU A 37 2.373 -19.802 -8.646 1.00 0.00 N ATOM 575 CA GLU A 37 2.628 -21.210 -8.366 1.00 0.00 C ATOM 576 C GLU A 37 3.024 -21.954 -9.639 1.00 0.00 C ATOM 577 O GLU A 37 3.965 -22.747 -9.638 1.00 0.00 O ATOM 578 CB GLU A 37 1.391 -21.862 -7.746 1.00 0.00 C ATOM 579 CG GLU A 37 0.131 -21.691 -8.577 1.00 0.00 C ATOM 580 CD GLU A 37 -1.135 -21.900 -7.768 1.00 0.00 C ATOM 581 OE1 GLU A 37 -1.025 -22.238 -6.571 1.00 0.00 O ATOM 582 OE2 GLU A 37 -2.235 -21.727 -8.333 1.00 0.00 O ATOM 0 H GLU A 37 1.435 -19.486 -8.400 1.00 0.00 H new ATOM 0 HA GLU A 37 3.454 -21.269 -7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.583 -22.926 -7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.224 -21.436 -6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.119 -20.691 -9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.149 -22.398 -9.406 1.00 0.00 H new ATOM 589 N GLU A 38 2.298 -21.691 -10.721 1.00 0.00 N ATOM 590 CA GLU A 38 2.573 -22.337 -11.999 1.00 0.00 C ATOM 591 C GLU A 38 3.816 -21.741 -12.654 1.00 0.00 C ATOM 592 O GLU A 38 4.703 -22.467 -13.103 1.00 0.00 O ATOM 593 CB GLU A 38 1.372 -22.194 -12.936 1.00 0.00 C ATOM 594 CG GLU A 38 0.359 -23.320 -12.804 1.00 0.00 C ATOM 595 CD GLU A 38 -0.638 -23.079 -11.686 1.00 0.00 C ATOM 596 OE1 GLU A 38 -1.074 -21.921 -11.519 1.00 0.00 O ATOM 597 OE2 GLU A 38 -0.981 -24.049 -10.980 1.00 0.00 O ATOM 0 H GLU A 38 1.516 -21.036 -10.738 1.00 0.00 H new ATOM 0 HA GLU A 38 2.755 -23.395 -11.810 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.876 -21.245 -12.734 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.728 -22.155 -13.966 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.177 -23.434 -13.746 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.885 -24.257 -12.621 1.00 0.00 H new ATOM 604 N VAL A 39 3.872 -20.414 -12.705 1.00 0.00 N ATOM 605 CA VAL A 39 5.005 -19.719 -13.304 1.00 0.00 C ATOM 606 C VAL A 39 6.315 -20.130 -12.640 1.00 0.00 C ATOM 607 O VAL A 39 7.327 -20.331 -13.311 1.00 0.00 O ATOM 608 CB VAL A 39 4.846 -18.191 -13.198 1.00 0.00 C ATOM 609 CG1 VAL A 39 6.025 -17.485 -13.850 1.00 0.00 C ATOM 610 CG2 VAL A 39 3.534 -17.747 -13.827 1.00 0.00 C ATOM 0 H VAL A 39 3.146 -19.799 -12.339 1.00 0.00 H new ATOM 0 HA VAL A 39 5.030 -20.002 -14.356 1.00 0.00 H new ATOM 0 HB VAL A 39 4.828 -17.917 -12.143 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.895 -16.406 -13.765 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.948 -17.780 -13.350 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.078 -17.762 -14.903 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.438 -16.664 -13.743 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.520 -18.032 -14.879 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.702 -18.226 -13.310 1.00 0.00 H new ATOM 620 N ALA A 40 6.288 -20.254 -11.317 1.00 0.00 N ATOM 621 CA ALA A 40 7.472 -20.644 -10.562 1.00 0.00 C ATOM 622 C ALA A 40 7.926 -22.050 -10.940 1.00 0.00 C ATOM 623 O ALA A 40 9.123 -22.334 -10.983 1.00 0.00 O ATOM 624 CB ALA A 40 7.197 -20.560 -9.068 1.00 0.00 C ATOM 0 H ALA A 40 5.459 -20.090 -10.746 1.00 0.00 H new ATOM 0 HA ALA A 40 8.276 -19.952 -10.812 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.090 -20.854 -8.517 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.928 -19.537 -8.804 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.375 -21.229 -8.811 1.00 0.00 H new ATOM 630 N GLN A 41 6.963 -22.925 -11.212 1.00 0.00 N ATOM 631 CA GLN A 41 7.265 -24.301 -11.585 1.00 0.00 C ATOM 632 C GLN A 41 7.965 -24.358 -12.939 1.00 0.00 C ATOM 633 O GLN A 41 8.988 -25.024 -13.094 1.00 0.00 O ATOM 634 CB GLN A 41 5.983 -25.134 -11.625 1.00 0.00 C ATOM 635 CG GLN A 41 5.790 -26.013 -10.400 1.00 0.00 C ATOM 636 CD GLN A 41 4.897 -25.372 -9.356 1.00 0.00 C ATOM 637 OE1 GLN A 41 3.671 -25.393 -9.473 1.00 0.00 O ATOM 638 NE2 GLN A 41 5.508 -24.797 -8.327 1.00 0.00 N ATOM 0 H GLN A 41 5.967 -22.705 -11.181 1.00 0.00 H new ATOM 0 HA GLN A 41 7.936 -24.715 -10.832 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.128 -24.465 -11.720 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.996 -25.763 -12.515 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.358 -26.966 -10.706 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.762 -26.231 -9.957 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.526 -24.803 -8.270 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.959 -24.349 -7.593 1.00 0.00 H new ATOM 647 N LYS A 42 7.406 -23.654 -13.917 1.00 0.00 N ATOM 648 CA LYS A 42 7.975 -23.622 -15.259 1.00 0.00 C ATOM 649 C LYS A 42 9.297 -22.861 -15.271 1.00 0.00 C ATOM 650 O LYS A 42 10.274 -23.304 -15.877 1.00 0.00 O ATOM 651 CB LYS A 42 6.993 -22.974 -16.237 1.00 0.00 C ATOM 652 CG LYS A 42 5.619 -23.622 -16.239 1.00 0.00 C ATOM 653 CD LYS A 42 5.660 -25.013 -16.848 1.00 0.00 C ATOM 654 CE LYS A 42 5.999 -24.963 -18.330 1.00 0.00 C ATOM 655 NZ LYS A 42 5.733 -26.264 -19.005 1.00 0.00 N ATOM 0 H LYS A 42 6.559 -23.097 -13.805 1.00 0.00 H new ATOM 0 HA LYS A 42 8.164 -24.649 -15.571 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.887 -21.918 -15.987 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.410 -23.023 -17.243 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.242 -23.682 -15.218 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.922 -22.999 -16.800 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.400 -25.619 -16.325 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.695 -25.500 -16.711 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.414 -24.179 -18.810 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.049 -24.698 -18.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.977 -26.188 -20.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.310 -27.008 -18.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.726 -26.505 -18.910 1.00 0.00 H new ATOM 669 N CYS A 43 9.322 -21.716 -14.598 1.00 0.00 N ATOM 670 CA CYS A 43 10.525 -20.894 -14.530 1.00 0.00 C ATOM 671 C CYS A 43 11.609 -21.584 -13.709 1.00 0.00 C ATOM 672 O CYS A 43 12.799 -21.337 -13.901 1.00 0.00 O ATOM 673 CB CYS A 43 10.201 -19.528 -13.924 1.00 0.00 C ATOM 674 SG CYS A 43 11.261 -18.188 -14.516 1.00 0.00 S ATOM 0 H CYS A 43 8.523 -21.336 -14.091 1.00 0.00 H new ATOM 0 HA CYS A 43 10.897 -20.754 -15.545 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.163 -19.281 -14.146 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.288 -19.594 -12.839 1.00 0.00 H new ATOM 0 HG CYS A 43 11.257 -17.217 -13.652 1.00 0.00 H new ATOM 680 N GLY A 44 11.189 -22.449 -12.791 1.00 0.00 N ATOM 681 CA GLY A 44 12.137 -23.160 -11.953 1.00 0.00 C ATOM 682 C GLY A 44 12.513 -22.378 -10.710 1.00 0.00 C ATOM 683 O GLY A 44 13.578 -22.593 -10.130 1.00 0.00 O ATOM 0 H GLY A 44 10.209 -22.670 -12.613 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.710 -24.119 -11.660 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.037 -23.375 -12.529 1.00 0.00 H new ATOM 687 N LEU A 45 11.638 -21.466 -10.301 1.00 0.00 N ATOM 688 CA LEU A 45 11.884 -20.646 -9.119 1.00 0.00 C ATOM 689 C LEU A 45 11.313 -21.307 -7.869 1.00 0.00 C ATOM 690 O LEU A 45 10.630 -22.328 -7.952 1.00 0.00 O ATOM 691 CB LEU A 45 11.270 -19.257 -9.301 1.00 0.00 C ATOM 692 CG LEU A 45 12.183 -18.194 -9.914 1.00 0.00 C ATOM 693 CD1 LEU A 45 13.414 -17.984 -9.047 1.00 0.00 C ATOM 694 CD2 LEU A 45 12.585 -18.589 -11.328 1.00 0.00 C ATOM 0 H LEU A 45 10.752 -21.275 -10.770 1.00 0.00 H new ATOM 0 HA LEU A 45 12.962 -20.546 -8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.385 -19.353 -9.929 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.933 -18.900 -8.328 1.00 0.00 H new ATOM 0 HG LEU A 45 11.634 -17.254 -9.963 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.052 -17.224 -9.499 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.108 -17.657 -8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.966 -18.920 -8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.234 -17.822 -11.749 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.116 -19.540 -11.303 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.692 -18.688 -11.946 1.00 0.00 H new ATOM 706 N SER A 46 11.595 -20.718 -6.712 1.00 0.00 N ATOM 707 CA SER A 46 11.111 -21.250 -5.444 1.00 0.00 C ATOM 708 C SER A 46 9.933 -20.431 -4.925 1.00 0.00 C ATOM 709 O SER A 46 10.103 -19.303 -4.463 1.00 0.00 O ATOM 710 CB SER A 46 12.236 -21.260 -4.407 1.00 0.00 C ATOM 711 OG SER A 46 12.031 -22.277 -3.442 1.00 0.00 O ATOM 0 H SER A 46 12.157 -19.871 -6.626 1.00 0.00 H new ATOM 0 HA SER A 46 10.774 -22.273 -5.613 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.193 -21.415 -4.905 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.288 -20.290 -3.912 1.00 0.00 H new ATOM 0 HG SER A 46 12.764 -22.264 -2.792 1.00 0.00 H new ATOM 717 N TYR A 47 8.739 -21.008 -5.004 1.00 0.00 N ATOM 718 CA TYR A 47 7.532 -20.331 -4.545 1.00 0.00 C ATOM 719 C TYR A 47 7.599 -20.053 -3.047 1.00 0.00 C ATOM 720 O TYR A 47 6.972 -19.119 -2.547 1.00 0.00 O ATOM 721 CB TYR A 47 6.297 -21.176 -4.864 1.00 0.00 C ATOM 722 CG TYR A 47 5.004 -20.567 -4.371 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.524 -19.378 -4.908 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.262 -21.179 -3.369 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.343 -18.817 -4.461 1.00 0.00 C ATOM 726 CE2 TYR A 47 3.079 -20.626 -2.916 1.00 0.00 C ATOM 727 CZ TYR A 47 2.624 -19.446 -3.465 1.00 0.00 C ATOM 728 OH TYR A 47 1.448 -18.891 -3.016 1.00 0.00 O ATOM 0 H TYR A 47 8.581 -21.942 -5.381 1.00 0.00 H new ATOM 0 HA TYR A 47 7.458 -19.378 -5.069 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.234 -21.319 -5.943 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.417 -22.163 -4.418 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.084 -18.884 -5.688 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.616 -22.103 -2.936 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.985 -17.892 -4.888 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.514 -21.116 -2.136 1.00 0.00 H new ATOM 0 HH TYR A 47 1.065 -19.458 -2.314 1.00 0.00 H new ATOM 738 N LYS A 48 8.365 -20.872 -2.334 1.00 0.00 N ATOM 739 CA LYS A 48 8.519 -20.716 -0.892 1.00 0.00 C ATOM 740 C LYS A 48 9.040 -19.325 -0.548 1.00 0.00 C ATOM 741 O LYS A 48 8.636 -18.730 0.450 1.00 0.00 O ATOM 742 CB LYS A 48 9.471 -21.780 -0.342 1.00 0.00 C ATOM 743 CG LYS A 48 8.921 -23.193 -0.430 1.00 0.00 C ATOM 744 CD LYS A 48 8.136 -23.565 0.817 1.00 0.00 C ATOM 745 CE LYS A 48 8.240 -25.052 1.118 1.00 0.00 C ATOM 746 NZ LYS A 48 7.605 -25.401 2.419 1.00 0.00 N ATOM 0 H LYS A 48 8.889 -21.651 -2.732 1.00 0.00 H new ATOM 0 HA LYS A 48 7.539 -20.842 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.412 -21.731 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.696 -21.551 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.277 -23.280 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.742 -23.896 -0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.509 -22.994 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.089 -23.292 0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.763 -25.619 0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.289 -25.346 1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.697 -26.423 2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.076 -24.880 3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.598 -25.144 2.394 1.00 0.00 H new ATOM 760 N ALA A 49 9.939 -18.811 -1.382 1.00 0.00 N ATOM 761 CA ALA A 49 10.512 -17.489 -1.168 1.00 0.00 C ATOM 762 C ALA A 49 9.423 -16.425 -1.082 1.00 0.00 C ATOM 763 O ALA A 49 9.475 -15.537 -0.230 1.00 0.00 O ATOM 764 CB ALA A 49 11.494 -17.153 -2.281 1.00 0.00 C ATOM 0 H ALA A 49 10.286 -19.291 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 49 11.046 -17.502 -0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.915 -16.162 -2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.296 -17.891 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.975 -17.165 -3.240 1.00 0.00 H new ATOM 770 N LEU A 50 8.438 -16.521 -1.968 1.00 0.00 N ATOM 771 CA LEU A 50 7.336 -15.566 -1.992 1.00 0.00 C ATOM 772 C LEU A 50 6.381 -15.806 -0.827 1.00 0.00 C ATOM 773 O LEU A 50 5.819 -14.865 -0.267 1.00 0.00 O ATOM 774 CB LEU A 50 6.577 -15.666 -3.317 1.00 0.00 C ATOM 775 CG LEU A 50 5.268 -14.881 -3.402 1.00 0.00 C ATOM 776 CD1 LEU A 50 5.040 -14.374 -4.818 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.099 -15.742 -2.947 1.00 0.00 C ATOM 0 H LEU A 50 8.380 -17.250 -2.679 1.00 0.00 H new ATOM 0 HA LEU A 50 7.754 -14.564 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.235 -15.324 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.360 -16.717 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 50 5.339 -14.020 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.104 -13.818 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.863 -13.721 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.990 -15.220 -5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.176 -15.167 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.025 -16.622 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.257 -16.055 -1.915 1.00 0.00 H new ATOM 789 N VAL A 51 6.204 -17.073 -0.465 1.00 0.00 N ATOM 790 CA VAL A 51 5.321 -17.437 0.636 1.00 0.00 C ATOM 791 C VAL A 51 5.743 -16.749 1.929 1.00 0.00 C ATOM 792 O VAL A 51 4.902 -16.334 2.726 1.00 0.00 O ATOM 793 CB VAL A 51 5.302 -18.961 0.860 1.00 0.00 C ATOM 794 CG1 VAL A 51 4.395 -19.318 2.027 1.00 0.00 C ATOM 795 CG2 VAL A 51 4.863 -19.680 -0.407 1.00 0.00 C ATOM 0 H VAL A 51 6.661 -17.864 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 51 4.320 -17.105 0.362 1.00 0.00 H new ATOM 0 HB VAL A 51 6.313 -19.288 1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.394 -20.399 2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.759 -18.832 2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.381 -18.979 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.855 -20.756 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.862 -19.350 -0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.557 -19.450 -1.215 1.00 0.00 H new ATOM 805 N ALA A 52 7.051 -16.633 2.132 1.00 0.00 N ATOM 806 CA ALA A 52 7.585 -15.993 3.328 1.00 0.00 C ATOM 807 C ALA A 52 7.114 -14.546 3.433 1.00 0.00 C ATOM 808 O ALA A 52 6.686 -14.098 4.497 1.00 0.00 O ATOM 809 CB ALA A 52 9.105 -16.056 3.326 1.00 0.00 C ATOM 0 H ALA A 52 7.761 -16.974 1.484 1.00 0.00 H new ATOM 0 HA ALA A 52 7.211 -16.534 4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.490 -15.574 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.426 -17.097 3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.489 -15.541 2.445 1.00 0.00 H new ATOM 815 N LEU A 53 7.196 -13.820 2.324 1.00 0.00 N ATOM 816 CA LEU A 53 6.779 -12.422 2.292 1.00 0.00 C ATOM 817 C LEU A 53 5.263 -12.304 2.413 1.00 0.00 C ATOM 818 O LEU A 53 4.754 -11.459 3.149 1.00 0.00 O ATOM 819 CB LEU A 53 7.252 -11.758 0.997 1.00 0.00 C ATOM 820 CG LEU A 53 8.754 -11.824 0.719 1.00 0.00 C ATOM 821 CD1 LEU A 53 9.015 -11.966 -0.772 1.00 0.00 C ATOM 822 CD2 LEU A 53 9.453 -10.588 1.269 1.00 0.00 C ATOM 0 H LEU A 53 7.547 -14.176 1.435 1.00 0.00 H new ATOM 0 HA LEU A 53 7.234 -11.913 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.727 -12.222 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.953 -10.710 1.019 1.00 0.00 H new ATOM 0 HG LEU A 53 9.159 -12.701 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.089 -12.011 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.547 -12.880 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.596 -11.108 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.521 -10.652 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.044 -9.697 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.295 -10.529 2.346 1.00 0.00 H new ATOM 834 N ARG A 54 4.548 -13.158 1.688 1.00 0.00 N ATOM 835 CA ARG A 54 3.091 -13.149 1.715 1.00 0.00 C ATOM 836 C ARG A 54 2.571 -13.457 3.117 1.00 0.00 C ATOM 837 O ARG A 54 1.669 -12.784 3.616 1.00 0.00 O ATOM 838 CB ARG A 54 2.535 -14.169 0.719 1.00 0.00 C ATOM 839 CG ARG A 54 1.892 -13.536 -0.505 1.00 0.00 C ATOM 840 CD ARG A 54 0.793 -14.418 -1.075 1.00 0.00 C ATOM 841 NE ARG A 54 -0.537 -13.956 -0.686 1.00 0.00 N ATOM 842 CZ ARG A 54 -1.648 -14.281 -1.336 1.00 0.00 C ATOM 843 NH1 ARG A 54 -1.590 -15.068 -2.402 1.00 0.00 N ATOM 844 NH2 ARG A 54 -2.821 -13.821 -0.920 1.00 0.00 N ATOM 0 H ARG A 54 4.954 -13.865 1.075 1.00 0.00 H new ATOM 0 HA ARG A 54 2.754 -12.152 1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.342 -14.826 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.798 -14.793 1.224 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.478 -12.564 -0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.652 -13.361 -1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.868 -14.433 -2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.936 -15.443 -0.731 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.617 -13.350 0.131 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.690 -15.425 -2.724 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.445 -15.316 -2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.870 -13.217 -0.100 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.674 -14.072 -1.421 1.00 0.00 H new ATOM 858 N ARG A 55 3.147 -14.476 3.745 1.00 0.00 N ATOM 859 CA ARG A 55 2.741 -14.874 5.088 1.00 0.00 C ATOM 860 C ARG A 55 2.898 -13.715 6.068 1.00 0.00 C ATOM 861 O ARG A 55 2.065 -13.519 6.953 1.00 0.00 O ATOM 862 CB ARG A 55 3.567 -16.072 5.560 1.00 0.00 C ATOM 863 CG ARG A 55 3.273 -16.488 6.991 1.00 0.00 C ATOM 864 CD ARG A 55 3.814 -17.878 7.290 1.00 0.00 C ATOM 865 NE ARG A 55 3.930 -18.124 8.724 1.00 0.00 N ATOM 866 CZ ARG A 55 4.703 -19.069 9.248 1.00 0.00 C ATOM 867 NH1 ARG A 55 5.424 -19.853 8.458 1.00 0.00 N ATOM 868 NH2 ARG A 55 4.756 -19.231 10.564 1.00 0.00 N ATOM 0 H ARG A 55 3.896 -15.041 3.346 1.00 0.00 H new ATOM 0 HA ARG A 55 1.689 -15.159 5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.377 -16.917 4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.626 -15.830 5.471 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.717 -15.768 7.679 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.197 -16.471 7.162 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.157 -18.626 6.846 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.792 -17.995 6.822 1.00 0.00 H new ATOM 0 HE ARG A 55 3.388 -17.538 9.359 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.386 -19.731 7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.017 -20.578 8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.203 -18.630 11.175 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.350 -19.957 10.965 1.00 0.00 H new ATOM 882 N VAL A 56 3.974 -12.951 5.906 1.00 0.00 N ATOM 883 CA VAL A 56 4.241 -11.812 6.776 1.00 0.00 C ATOM 884 C VAL A 56 3.229 -10.695 6.544 1.00 0.00 C ATOM 885 O VAL A 56 2.782 -10.042 7.488 1.00 0.00 O ATOM 886 CB VAL A 56 5.661 -11.258 6.555 1.00 0.00 C ATOM 887 CG1 VAL A 56 5.908 -10.052 7.449 1.00 0.00 C ATOM 888 CG2 VAL A 56 6.699 -12.340 6.806 1.00 0.00 C ATOM 0 H VAL A 56 4.675 -13.101 5.180 1.00 0.00 H new ATOM 0 HA VAL A 56 4.154 -12.169 7.802 1.00 0.00 H new ATOM 0 HB VAL A 56 5.750 -10.935 5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.916 -9.674 7.279 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.184 -9.272 7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.801 -10.345 8.493 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.697 -11.931 6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.613 -12.695 7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.532 -13.170 6.120 1.00 0.00 H new ATOM 898 N LEU A 57 2.872 -10.480 5.283 1.00 0.00 N ATOM 899 CA LEU A 57 1.912 -9.441 4.926 1.00 0.00 C ATOM 900 C LEU A 57 0.536 -9.747 5.510 1.00 0.00 C ATOM 901 O LEU A 57 -0.105 -8.880 6.104 1.00 0.00 O ATOM 902 CB LEU A 57 1.815 -9.310 3.405 1.00 0.00 C ATOM 903 CG LEU A 57 2.898 -8.464 2.734 1.00 0.00 C ATOM 904 CD1 LEU A 57 2.939 -8.738 1.239 1.00 0.00 C ATOM 905 CD2 LEU A 57 2.661 -6.985 3.001 1.00 0.00 C ATOM 0 H LEU A 57 3.233 -11.011 4.490 1.00 0.00 H new ATOM 0 HA LEU A 57 2.262 -8.498 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.843 -10.310 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.843 -8.882 3.158 1.00 0.00 H new ATOM 0 HG LEU A 57 3.863 -8.739 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.715 -8.127 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.157 -9.792 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.974 -8.491 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.441 -6.398 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.688 -6.695 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.683 -6.801 4.075 1.00 0.00 H new ATOM 917 N LEU A 58 0.089 -10.987 5.339 1.00 0.00 N ATOM 918 CA LEU A 58 -1.210 -11.409 5.852 1.00 0.00 C ATOM 919 C LEU A 58 -1.181 -11.535 7.371 1.00 0.00 C ATOM 920 O LEU A 58 -2.176 -11.271 8.045 1.00 0.00 O ATOM 921 CB LEU A 58 -1.617 -12.744 5.225 1.00 0.00 C ATOM 922 CG LEU A 58 -0.619 -13.891 5.382 1.00 0.00 C ATOM 923 CD1 LEU A 58 -0.840 -14.616 6.701 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.733 -14.860 4.214 1.00 0.00 C ATOM 0 H LEU A 58 0.607 -11.717 4.849 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.944 -10.649 5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.567 -13.053 5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.792 -12.584 4.161 1.00 0.00 H new ATOM 0 HG LEU A 58 0.388 -13.473 5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.120 -15.429 6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.707 -13.917 7.527 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.851 -15.022 6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.015 -15.670 4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.742 -15.271 4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.524 -14.334 3.283 1.00 0.00 H new ATOM 936 N ALA A 59 -0.032 -11.938 7.905 1.00 0.00 N ATOM 937 CA ALA A 59 0.128 -12.094 9.345 1.00 0.00 C ATOM 938 C ALA A 59 -0.078 -10.767 10.068 1.00 0.00 C ATOM 939 O ALA A 59 -0.768 -10.705 11.085 1.00 0.00 O ATOM 940 CB ALA A 59 1.502 -12.663 9.665 1.00 0.00 C ATOM 0 H ALA A 59 0.801 -12.162 7.361 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.633 -12.791 9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.607 -12.774 10.744 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.613 -13.637 9.187 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.272 -11.987 9.293 1.00 0.00 H new ATOM 946 N GLN A 60 0.524 -9.709 9.535 1.00 0.00 N ATOM 947 CA GLN A 60 0.407 -8.383 10.131 1.00 0.00 C ATOM 948 C GLN A 60 -0.957 -7.770 9.832 1.00 0.00 C ATOM 949 O GLN A 60 -1.521 -7.051 10.657 1.00 0.00 O ATOM 950 CB GLN A 60 1.516 -7.467 9.611 1.00 0.00 C ATOM 951 CG GLN A 60 1.399 -7.151 8.129 1.00 0.00 C ATOM 952 CD GLN A 60 2.478 -6.201 7.648 1.00 0.00 C ATOM 953 OE1 GLN A 60 3.631 -6.286 8.072 1.00 0.00 O ATOM 954 NE2 GLN A 60 2.108 -5.288 6.757 1.00 0.00 N ATOM 0 H GLN A 60 1.097 -9.744 8.692 1.00 0.00 H new ATOM 0 HA GLN A 60 0.509 -8.488 11.211 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.500 -6.535 10.175 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.482 -7.937 9.799 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.455 -8.078 7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.420 -6.714 7.931 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.141 -5.254 6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.791 -4.621 6.397 1.00 0.00 H new ATOM 963 N PHE A 61 -1.483 -8.059 8.646 1.00 0.00 N ATOM 964 CA PHE A 61 -2.781 -7.535 8.237 1.00 0.00 C ATOM 965 C PHE A 61 -3.900 -8.134 9.084 1.00 0.00 C ATOM 966 O PHE A 61 -4.764 -7.416 9.587 1.00 0.00 O ATOM 967 CB PHE A 61 -3.031 -7.832 6.757 1.00 0.00 C ATOM 968 CG PHE A 61 -4.271 -7.180 6.216 1.00 0.00 C ATOM 969 CD1 PHE A 61 -4.296 -5.819 5.955 1.00 0.00 C ATOM 970 CD2 PHE A 61 -5.411 -7.927 5.968 1.00 0.00 C ATOM 971 CE1 PHE A 61 -5.436 -5.216 5.458 1.00 0.00 C ATOM 972 CE2 PHE A 61 -6.554 -7.330 5.470 1.00 0.00 C ATOM 973 CZ PHE A 61 -6.566 -5.973 5.214 1.00 0.00 C ATOM 0 H PHE A 61 -1.030 -8.653 7.951 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.773 -6.455 8.387 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.171 -7.497 6.177 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.107 -8.911 6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.415 -5.223 6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.407 -8.989 6.166 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.444 -4.154 5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.436 -7.924 5.281 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.457 -5.504 4.824 1.00 0.00 H new