USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 563 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 6 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.059) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0951 K(o=-0.095,f=-1.7!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -73:sc= 0.857 USER MOD Single : A 70 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.11) USER MOD Single : A 74 THR OG1 : rot 86:sc= 0.807 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= -0.0154 (180deg=-0.335) USER MOD Single : A 88 LYS NZ :NH3+ 155:sc= -0.119 (180deg=-0.584) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 96 SER OG : rot -33:sc= -0.428 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 10.628 6.499 -19.140 1.00 1.00 N ATOM 47 CA GLU A 4 9.635 7.447 -18.648 1.00 1.00 C ATOM 48 C GLU A 4 8.308 7.260 -19.376 1.00 1.00 C ATOM 49 O GLU A 4 7.241 7.295 -18.762 1.00 1.00 O ATOM 50 CB GLU A 4 10.135 8.879 -18.851 1.00 1.00 C ATOM 51 CG GLU A 4 11.458 9.068 -18.111 1.00 1.00 C ATOM 52 CD GLU A 4 11.250 9.959 -16.889 1.00 1.00 C ATOM 53 OE1 GLU A 4 10.231 9.807 -16.237 1.00 1.00 O ATOM 54 OE2 GLU A 4 12.112 10.780 -16.626 1.00 1.00 O ATOM 0 HA GLU A 4 9.481 7.264 -17.585 1.00 1.00 H new ATOM 0 HB2 GLU A 4 10.269 9.081 -19.914 1.00 1.00 H new ATOM 0 HB3 GLU A 4 9.395 9.589 -18.482 1.00 1.00 H new ATOM 0 HG2 GLU A 4 11.853 8.100 -17.803 1.00 1.00 H new ATOM 0 HG3 GLU A 4 12.196 9.516 -18.777 1.00 1.00 H new ATOM 61 N LEU A 5 8.382 7.066 -20.689 1.00 1.00 N ATOM 62 CA LEU A 5 7.179 6.875 -21.491 1.00 1.00 C ATOM 63 C LEU A 5 6.607 5.477 -21.279 1.00 1.00 C ATOM 64 O LEU A 5 5.392 5.298 -21.190 1.00 1.00 O ATOM 65 CB LEU A 5 7.502 7.076 -22.973 1.00 1.00 C ATOM 66 CG LEU A 5 8.368 8.326 -23.141 1.00 1.00 C ATOM 67 CD1 LEU A 5 8.643 8.560 -24.628 1.00 1.00 C ATOM 68 CD2 LEU A 5 7.632 9.536 -22.563 1.00 1.00 C ATOM 0 H LEU A 5 9.255 7.037 -21.217 1.00 1.00 H new ATOM 0 HA LEU A 5 6.437 7.609 -21.177 1.00 1.00 H new ATOM 0 HB2 LEU A 5 8.025 6.203 -23.364 1.00 1.00 H new ATOM 0 HB3 LEU A 5 6.581 7.179 -23.546 1.00 1.00 H new ATOM 0 HG LEU A 5 9.312 8.188 -22.614 1.00 1.00 H new ATOM 0 HD11 LEU A 5 9.260 9.451 -24.748 1.00 1.00 H new ATOM 0 HD12 LEU A 5 9.166 7.698 -25.041 1.00 1.00 H new ATOM 0 HD13 LEU A 5 7.699 8.699 -25.155 1.00 1.00 H new ATOM 0 HD21 LEU A 5 8.248 10.427 -22.682 1.00 1.00 H new ATOM 0 HD22 LEU A 5 6.688 9.674 -23.091 1.00 1.00 H new ATOM 0 HD23 LEU A 5 7.435 9.370 -21.504 1.00 1.00 H new ATOM 80 N GLN A 6 7.491 4.487 -21.201 1.00 1.00 N ATOM 81 CA GLN A 6 7.063 3.107 -21.001 1.00 1.00 C ATOM 82 C GLN A 6 6.355 2.953 -19.658 1.00 1.00 C ATOM 83 O GLN A 6 5.454 2.128 -19.512 1.00 1.00 O ATOM 84 CB GLN A 6 8.272 2.172 -21.054 1.00 1.00 C ATOM 85 CG GLN A 6 8.842 2.154 -22.474 1.00 1.00 C ATOM 86 CD GLN A 6 8.602 0.791 -23.115 1.00 1.00 C ATOM 87 OE1 GLN A 6 8.122 0.711 -24.246 1.00 1.00 O ATOM 88 NE2 GLN A 6 8.908 -0.293 -22.455 1.00 1.00 N ATOM 0 H GLN A 6 8.501 4.613 -21.273 1.00 1.00 H new ATOM 0 HA GLN A 6 6.366 2.844 -21.797 1.00 1.00 H new ATOM 0 HB2 GLN A 6 9.034 2.505 -20.349 1.00 1.00 H new ATOM 0 HB3 GLN A 6 7.980 1.165 -20.755 1.00 1.00 H new ATOM 0 HG2 GLN A 6 8.373 2.934 -23.073 1.00 1.00 H new ATOM 0 HG3 GLN A 6 9.910 2.370 -22.449 1.00 1.00 H new ATOM 0 HE21 GLN A 6 9.306 -0.225 -21.518 1.00 1.00 H new ATOM 0 HE22 GLN A 6 8.750 -1.208 -22.876 1.00 1.00 H new ATOM 97 N CYS A 7 6.771 3.751 -18.681 1.00 1.00 N ATOM 98 CA CYS A 7 6.170 3.693 -17.353 1.00 1.00 C ATOM 99 C CYS A 7 4.674 3.979 -17.427 1.00 1.00 C ATOM 100 O CYS A 7 3.857 3.194 -16.948 1.00 1.00 O ATOM 101 CB CYS A 7 6.841 4.712 -16.430 1.00 1.00 C ATOM 102 SG CYS A 7 6.624 4.200 -14.708 1.00 1.00 S ATOM 0 H CYS A 7 7.516 4.441 -18.781 1.00 1.00 H new ATOM 0 HA CYS A 7 6.317 2.689 -16.954 1.00 1.00 H new ATOM 0 HB2 CYS A 7 7.902 4.790 -16.667 1.00 1.00 H new ATOM 0 HB3 CYS A 7 6.407 5.700 -16.584 1.00 1.00 H new ATOM 0 HG CYS A 7 7.196 5.064 -13.923 1.00 1.00 H new ATOM 107 N ILE A 8 4.323 5.108 -18.035 1.00 1.00 N ATOM 108 CA ILE A 8 2.920 5.488 -18.168 1.00 1.00 C ATOM 109 C ILE A 8 2.169 4.472 -19.023 1.00 1.00 C ATOM 110 O ILE A 8 0.991 4.203 -18.793 1.00 1.00 O ATOM 111 CB ILE A 8 2.813 6.875 -18.804 1.00 1.00 C ATOM 112 CG1 ILE A 8 3.025 7.944 -17.729 1.00 1.00 C ATOM 113 CG2 ILE A 8 1.426 7.049 -19.425 1.00 1.00 C ATOM 114 CD1 ILE A 8 4.375 7.722 -17.044 1.00 1.00 C ATOM 0 H ILE A 8 4.984 5.771 -18.440 1.00 1.00 H new ATOM 0 HA ILE A 8 2.472 5.510 -17.174 1.00 1.00 H new ATOM 0 HB ILE A 8 3.573 6.978 -19.579 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.992 8.937 -18.178 1.00 1.00 H new ATOM 0 HG13 ILE A 8 2.221 7.900 -16.994 1.00 1.00 H new ATOM 0 HG21 ILE A 8 1.351 8.038 -19.878 1.00 1.00 H new ATOM 0 HG22 ILE A 8 1.271 6.287 -20.189 1.00 1.00 H new ATOM 0 HG23 ILE A 8 0.665 6.946 -18.651 1.00 1.00 H new ATOM 0 HD11 ILE A 8 4.524 8.484 -16.279 1.00 1.00 H new ATOM 0 HD12 ILE A 8 4.390 6.735 -16.581 1.00 1.00 H new ATOM 0 HD13 ILE A 8 5.173 7.789 -17.783 1.00 1.00 H new ATOM 126 N ARG A 9 2.860 3.913 -20.011 1.00 1.00 N ATOM 127 CA ARG A 9 2.249 2.929 -20.896 1.00 1.00 C ATOM 128 C ARG A 9 1.817 1.694 -20.110 1.00 1.00 C ATOM 129 O ARG A 9 0.832 1.041 -20.453 1.00 1.00 O ATOM 130 CB ARG A 9 3.241 2.519 -21.987 1.00 1.00 C ATOM 131 CG ARG A 9 2.615 1.433 -22.865 1.00 1.00 C ATOM 132 CD ARG A 9 3.462 1.243 -24.124 1.00 1.00 C ATOM 133 NE ARG A 9 2.871 1.962 -25.245 1.00 1.00 N ATOM 134 CZ ARG A 9 1.707 1.587 -25.766 1.00 1.00 C ATOM 135 NH1 ARG A 9 1.074 0.556 -25.274 1.00 1.00 N ATOM 136 NH2 ARG A 9 1.196 2.248 -26.768 1.00 1.00 N ATOM 0 H ARG A 9 3.837 4.123 -20.218 1.00 1.00 H new ATOM 0 HA ARG A 9 1.369 3.380 -21.355 1.00 1.00 H new ATOM 0 HB2 ARG A 9 3.507 3.384 -22.595 1.00 1.00 H new ATOM 0 HB3 ARG A 9 4.162 2.150 -21.536 1.00 1.00 H new ATOM 0 HG2 ARG A 9 2.551 0.496 -22.312 1.00 1.00 H new ATOM 0 HG3 ARG A 9 1.597 1.713 -23.137 1.00 1.00 H new ATOM 0 HD2 ARG A 9 4.475 1.603 -23.946 1.00 1.00 H new ATOM 0 HD3 ARG A 9 3.538 0.182 -24.363 1.00 1.00 H new ATOM 0 HE ARG A 9 3.359 2.767 -25.637 1.00 1.00 H new ATOM 0 HH11 ARG A 9 1.473 0.039 -24.490 1.00 1.00 H new ATOM 0 HH12 ARG A 9 0.181 0.268 -25.673 1.00 1.00 H new ATOM 0 HH21 ARG A 9 1.690 3.053 -27.152 1.00 1.00 H new ATOM 0 HH22 ARG A 9 0.303 1.959 -27.167 1.00 1.00 H new ATOM 150 N GLU A 10 2.564 1.378 -19.055 1.00 1.00 N ATOM 151 CA GLU A 10 2.249 0.220 -18.228 1.00 1.00 C ATOM 152 C GLU A 10 0.927 0.427 -17.496 1.00 1.00 C ATOM 153 O GLU A 10 0.091 -0.475 -17.438 1.00 1.00 O ATOM 154 CB GLU A 10 3.367 -0.016 -17.212 1.00 1.00 C ATOM 155 CG GLU A 10 4.679 -0.291 -17.949 1.00 1.00 C ATOM 156 CD GLU A 10 5.100 -1.740 -17.740 1.00 1.00 C ATOM 157 OE1 GLU A 10 5.071 -2.190 -16.606 1.00 1.00 O ATOM 158 OE2 GLU A 10 5.446 -2.383 -18.719 1.00 1.00 O ATOM 0 H GLU A 10 3.385 1.904 -18.756 1.00 1.00 H new ATOM 0 HA GLU A 10 2.158 -0.652 -18.876 1.00 1.00 H new ATOM 0 HB2 GLU A 10 3.476 0.856 -16.567 1.00 1.00 H new ATOM 0 HB3 GLU A 10 3.116 -0.859 -16.569 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.557 -0.089 -19.013 1.00 1.00 H new ATOM 0 HG3 GLU A 10 5.458 0.379 -17.584 1.00 1.00 H new ATOM 165 N CYS A 11 0.746 1.618 -16.936 1.00 1.00 N ATOM 166 CA CYS A 11 -0.479 1.930 -16.207 1.00 1.00 C ATOM 167 C CYS A 11 -1.619 2.223 -17.178 1.00 1.00 C ATOM 168 O CYS A 11 -2.783 1.944 -16.886 1.00 1.00 O ATOM 169 CB CYS A 11 -0.254 3.142 -15.302 1.00 1.00 C ATOM 170 SG CYS A 11 -1.208 2.939 -13.775 1.00 1.00 S ATOM 0 H CYS A 11 1.425 2.378 -16.972 1.00 1.00 H new ATOM 0 HA CYS A 11 -0.747 1.067 -15.598 1.00 1.00 H new ATOM 0 HB2 CYS A 11 0.806 3.245 -15.070 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -0.558 4.054 -15.815 1.00 1.00 H new ATOM 0 HG CYS A 11 -1.016 3.968 -13.004 1.00 1.00 H new ATOM 175 N ARG A 12 -1.279 2.784 -18.333 1.00 1.00 N ATOM 176 CA ARG A 12 -2.283 3.110 -19.339 1.00 1.00 C ATOM 177 C ARG A 12 -2.981 1.845 -19.826 1.00 1.00 C ATOM 178 O ARG A 12 -4.184 1.849 -20.090 1.00 1.00 O ATOM 179 CB ARG A 12 -1.626 3.821 -20.523 1.00 1.00 C ATOM 180 CG ARG A 12 -2.699 4.526 -21.354 1.00 1.00 C ATOM 181 CD ARG A 12 -2.043 5.259 -22.525 1.00 1.00 C ATOM 182 NE ARG A 12 -2.836 5.087 -23.736 1.00 1.00 N ATOM 183 CZ ARG A 12 -2.337 5.382 -24.933 1.00 1.00 C ATOM 184 NH1 ARG A 12 -1.118 5.836 -25.039 1.00 1.00 N ATOM 185 NH2 ARG A 12 -3.067 5.219 -26.003 1.00 1.00 N ATOM 0 H ARG A 12 -0.322 3.021 -18.595 1.00 1.00 H new ATOM 0 HA ARG A 12 -3.023 3.770 -18.886 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -0.894 4.545 -20.165 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -1.088 3.101 -21.140 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -3.421 3.799 -21.726 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -3.249 5.232 -20.732 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -1.948 6.319 -22.292 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -1.035 4.876 -22.684 1.00 1.00 H new ATOM 0 HE ARG A 12 -3.790 4.734 -23.664 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -0.547 5.965 -24.203 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -0.736 6.062 -25.957 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -4.020 4.865 -25.921 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -2.684 5.445 -26.921 1.00 1.00 H new ATOM 199 N LEU A 13 -2.218 0.763 -19.946 1.00 1.00 N ATOM 200 CA LEU A 13 -2.774 -0.506 -20.403 1.00 1.00 C ATOM 201 C LEU A 13 -3.755 -1.059 -19.374 1.00 1.00 C ATOM 202 O LEU A 13 -4.750 -1.690 -19.729 1.00 1.00 O ATOM 203 CB LEU A 13 -1.643 -1.515 -20.637 1.00 1.00 C ATOM 204 CG LEU A 13 -2.201 -2.803 -21.262 1.00 1.00 C ATOM 205 CD1 LEU A 13 -2.777 -2.509 -22.650 1.00 1.00 C ATOM 206 CD2 LEU A 13 -1.074 -3.829 -21.388 1.00 1.00 C ATOM 0 H LEU A 13 -1.220 0.739 -19.735 1.00 1.00 H new ATOM 0 HA LEU A 13 -3.307 -0.337 -21.339 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -0.889 -1.081 -21.293 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -1.150 -1.745 -19.693 1.00 1.00 H new ATOM 0 HG LEU A 13 -2.993 -3.196 -20.625 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -3.170 -3.429 -23.083 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -3.580 -1.777 -22.563 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -1.992 -2.111 -23.293 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -1.464 -4.745 -21.831 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -0.285 -3.426 -22.023 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -0.669 -4.048 -20.400 1.00 1.00 H new ATOM 218 N ALA A 14 -3.466 -0.819 -18.099 1.00 1.00 N ATOM 219 CA ALA A 14 -4.330 -1.298 -17.027 1.00 1.00 C ATOM 220 C ALA A 14 -5.567 -0.413 -16.899 1.00 1.00 C ATOM 221 O ALA A 14 -6.620 -0.865 -16.452 1.00 1.00 O ATOM 222 CB ALA A 14 -3.564 -1.304 -15.703 1.00 1.00 C ATOM 0 H ALA A 14 -2.646 -0.300 -17.785 1.00 1.00 H new ATOM 0 HA ALA A 14 -4.648 -2.313 -17.267 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -4.216 -1.663 -14.907 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -2.698 -1.961 -15.787 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -3.231 -0.292 -15.471 1.00 1.00 H new ATOM 228 N GLN A 15 -5.429 0.848 -17.295 1.00 1.00 N ATOM 229 CA GLN A 15 -6.543 1.787 -17.219 1.00 1.00 C ATOM 230 C GLN A 15 -7.556 1.506 -18.324 1.00 1.00 C ATOM 231 O GLN A 15 -8.679 2.011 -18.291 1.00 1.00 O ATOM 232 CB GLN A 15 -6.025 3.222 -17.351 1.00 1.00 C ATOM 233 CG GLN A 15 -7.064 4.193 -16.790 1.00 1.00 C ATOM 234 CD GLN A 15 -7.104 5.460 -17.638 1.00 1.00 C ATOM 235 OE1 GLN A 15 -7.954 5.593 -18.518 1.00 1.00 O ATOM 236 NE2 GLN A 15 -6.228 6.404 -17.425 1.00 1.00 N ATOM 0 H GLN A 15 -4.565 1.241 -17.669 1.00 1.00 H new ATOM 0 HA GLN A 15 -7.033 1.665 -16.253 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -5.083 3.331 -16.814 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -5.824 3.453 -18.397 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -8.047 3.721 -16.779 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -6.820 4.444 -15.758 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -5.524 6.292 -16.695 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -6.247 7.254 -17.988 1.00 1.00 H new ATOM 598 N ALA A 45 6.564 -10.389 -5.833 1.00 1.00 N ATOM 599 CA ALA A 45 7.853 -10.734 -5.240 1.00 1.00 C ATOM 600 C ALA A 45 8.502 -9.525 -4.566 1.00 1.00 C ATOM 601 O ALA A 45 9.243 -9.676 -3.595 1.00 1.00 O ATOM 602 CB ALA A 45 8.792 -11.275 -6.320 1.00 1.00 C ATOM 0 HA ALA A 45 7.677 -11.496 -4.481 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.752 -11.531 -5.872 1.00 1.00 H new ATOM 0 HB2 ALA A 45 8.353 -12.165 -6.771 1.00 1.00 H new ATOM 0 HB3 ALA A 45 8.940 -10.515 -7.087 1.00 1.00 H new ATOM 608 N ILE A 46 8.235 -8.328 -5.084 1.00 1.00 N ATOM 609 CA ILE A 46 8.822 -7.121 -4.510 1.00 1.00 C ATOM 610 C ILE A 46 8.039 -6.656 -3.283 1.00 1.00 C ATOM 611 O ILE A 46 8.576 -5.956 -2.425 1.00 1.00 O ATOM 612 CB ILE A 46 8.861 -6.000 -5.554 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.553 -5.204 -5.514 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.052 -6.603 -6.945 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.385 -4.434 -6.825 1.00 1.00 C ATOM 0 H ILE A 46 7.626 -8.169 -5.887 1.00 1.00 H new ATOM 0 HA ILE A 46 9.839 -7.360 -4.199 1.00 1.00 H new ATOM 0 HB ILE A 46 9.692 -5.332 -5.330 1.00 1.00 H new ATOM 0 HG12 ILE A 46 6.709 -5.878 -5.365 1.00 1.00 H new ATOM 0 HG13 ILE A 46 7.561 -4.512 -4.672 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.080 -5.805 -7.687 1.00 1.00 H new ATOM 0 HG22 ILE A 46 9.989 -7.159 -6.975 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.224 -7.276 -7.167 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.454 -3.867 -6.797 1.00 1.00 H new ATOM 0 HD12 ILE A 46 8.223 -3.749 -6.955 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.358 -5.136 -7.658 1.00 1.00 H new ATOM 627 N ALA A 47 6.773 -7.046 -3.207 1.00 1.00 N ATOM 628 CA ALA A 47 5.930 -6.658 -2.080 1.00 1.00 C ATOM 629 C ALA A 47 6.446 -7.270 -0.781 1.00 1.00 C ATOM 630 O ALA A 47 6.237 -6.720 0.300 1.00 1.00 O ATOM 631 CB ALA A 47 4.491 -7.116 -2.323 1.00 1.00 C ATOM 0 H ALA A 47 6.309 -7.626 -3.906 1.00 1.00 H new ATOM 0 HA ALA A 47 5.958 -5.572 -1.991 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.868 -6.823 -1.478 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.110 -6.652 -3.233 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.468 -8.200 -2.432 1.00 1.00 H new ATOM 637 N ASN A 48 7.121 -8.409 -0.893 1.00 1.00 N ATOM 638 CA ASN A 48 7.663 -9.084 0.281 1.00 1.00 C ATOM 639 C ASN A 48 9.009 -8.483 0.661 1.00 1.00 C ATOM 640 O ASN A 48 9.472 -8.630 1.793 1.00 1.00 O ATOM 641 CB ASN A 48 7.828 -10.577 -0.003 1.00 1.00 C ATOM 642 CG ASN A 48 6.521 -11.310 0.287 1.00 1.00 C ATOM 643 OD1 ASN A 48 5.483 -10.676 0.470 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.513 -12.614 0.340 1.00 1.00 N ATOM 0 H ASN A 48 7.305 -8.882 -1.778 1.00 1.00 H new ATOM 0 HA ASN A 48 6.968 -8.951 1.110 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.116 -10.728 -1.043 1.00 1.00 H new ATOM 0 HB3 ASN A 48 8.629 -10.987 0.613 1.00 1.00 H new ATOM 0 HD21 ASN A 48 5.644 -13.111 0.534 1.00 1.00 H new ATOM 0 HD22 ASN A 48 7.376 -13.136 0.188 1.00 1.00 H new ATOM 651 N PHE A 49 9.633 -7.809 -0.296 1.00 1.00 N ATOM 652 CA PHE A 49 10.930 -7.188 -0.066 1.00 1.00 C ATOM 653 C PHE A 49 10.794 -5.980 0.857 1.00 1.00 C ATOM 654 O PHE A 49 11.762 -5.260 1.099 1.00 1.00 O ATOM 655 CB PHE A 49 11.533 -6.755 -1.400 1.00 1.00 C ATOM 656 CG PHE A 49 12.658 -7.691 -1.772 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.376 -8.885 -2.445 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.979 -7.367 -1.443 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.417 -9.756 -2.789 1.00 1.00 C ATOM 660 CE2 PHE A 49 15.020 -8.238 -1.787 1.00 1.00 C ATOM 661 CZ PHE A 49 14.739 -9.433 -2.460 1.00 1.00 C ATOM 0 H PHE A 49 9.263 -7.679 -1.237 1.00 1.00 H new ATOM 0 HA PHE A 49 11.586 -7.915 0.413 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.768 -6.762 -2.176 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.905 -5.733 -1.328 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.356 -9.135 -2.699 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.196 -6.445 -0.924 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.200 -10.678 -3.308 1.00 1.00 H new ATOM 0 HE2 PHE A 49 16.040 -7.988 -1.533 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.542 -10.105 -2.725 1.00 1.00 H new ATOM 671 N LEU A 50 9.585 -5.772 1.373 1.00 1.00 N ATOM 672 CA LEU A 50 9.322 -4.656 2.276 1.00 1.00 C ATOM 673 C LEU A 50 8.671 -5.169 3.559 1.00 1.00 C ATOM 674 O LEU A 50 7.517 -5.600 3.552 1.00 1.00 O ATOM 675 CB LEU A 50 8.393 -3.636 1.600 1.00 1.00 C ATOM 676 CG LEU A 50 9.171 -2.785 0.583 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.492 -2.876 -0.785 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.182 -1.319 1.037 1.00 1.00 C ATOM 0 H LEU A 50 8.774 -6.360 1.181 1.00 1.00 H new ATOM 0 HA LEU A 50 10.267 -4.171 2.519 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.577 -4.156 1.098 1.00 1.00 H new ATOM 0 HB3 LEU A 50 7.943 -2.990 2.354 1.00 1.00 H new ATOM 0 HG LEU A 50 10.194 -3.156 0.514 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.044 -2.273 -1.506 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.478 -3.914 -1.116 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.470 -2.506 -0.709 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.734 -0.718 0.314 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.158 -0.952 1.107 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.662 -1.244 2.013 1.00 1.00 H new ATOM 690 N GLU A 51 9.421 -5.126 4.657 1.00 1.00 N ATOM 691 CA GLU A 51 8.913 -5.596 5.944 1.00 1.00 C ATOM 692 C GLU A 51 7.522 -5.015 6.216 1.00 1.00 C ATOM 693 O GLU A 51 7.185 -3.944 5.710 1.00 1.00 O ATOM 694 CB GLU A 51 9.879 -5.176 7.057 1.00 1.00 C ATOM 695 CG GLU A 51 10.984 -6.226 7.207 1.00 1.00 C ATOM 696 CD GLU A 51 10.565 -7.289 8.216 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.132 -6.917 9.293 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.693 -8.461 7.900 1.00 1.00 O ATOM 0 H GLU A 51 10.378 -4.773 4.683 1.00 1.00 H new ATOM 0 HA GLU A 51 8.835 -6.683 5.918 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.316 -4.205 6.825 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.339 -5.066 7.997 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.188 -6.690 6.242 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.908 -5.748 7.533 1.00 1.00 H new ATOM 705 N PRO A 52 6.709 -5.693 6.997 1.00 1.00 N ATOM 706 CA PRO A 52 5.329 -5.216 7.324 1.00 1.00 C ATOM 707 C PRO A 52 5.337 -3.880 8.064 1.00 1.00 C ATOM 708 O PRO A 52 4.711 -2.915 7.626 1.00 1.00 O ATOM 709 CB PRO A 52 4.743 -6.324 8.205 1.00 1.00 C ATOM 710 CG PRO A 52 5.909 -7.110 8.703 1.00 1.00 C ATOM 711 CD PRO A 52 7.005 -6.978 7.650 1.00 1.00 C ATOM 0 HA PRO A 52 4.744 -5.037 6.422 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.173 -5.904 9.033 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.061 -6.955 7.636 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.249 -6.730 9.666 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.637 -8.155 8.851 1.00 1.00 H new ATOM 0 HD2 PRO A 52 7.997 -6.978 8.102 1.00 1.00 H new ATOM 0 HD3 PRO A 52 6.979 -7.804 6.939 1.00 1.00 H new ATOM 719 N GLN A 53 6.050 -3.827 9.184 1.00 1.00 N ATOM 720 CA GLN A 53 6.126 -2.599 9.965 1.00 1.00 C ATOM 721 C GLN A 53 6.739 -1.487 9.122 1.00 1.00 C ATOM 722 O GLN A 53 6.288 -0.344 9.156 1.00 1.00 O ATOM 723 CB GLN A 53 6.972 -2.826 11.220 1.00 1.00 C ATOM 724 CG GLN A 53 6.224 -3.764 12.170 1.00 1.00 C ATOM 725 CD GLN A 53 7.092 -4.084 13.382 1.00 1.00 C ATOM 726 OE1 GLN A 53 7.870 -5.039 13.358 1.00 1.00 O ATOM 727 NE2 GLN A 53 6.997 -3.346 14.455 1.00 1.00 N ATOM 0 H GLN A 53 6.578 -4.611 9.568 1.00 1.00 H new ATOM 0 HA GLN A 53 5.119 -2.308 10.265 1.00 1.00 H new ATOM 0 HB2 GLN A 53 7.936 -3.256 10.950 1.00 1.00 H new ATOM 0 HB3 GLN A 53 7.174 -1.875 11.713 1.00 1.00 H new ATOM 0 HG2 GLN A 53 5.292 -3.300 12.493 1.00 1.00 H new ATOM 0 HG3 GLN A 53 5.958 -4.684 11.650 1.00 1.00 H new ATOM 0 HE21 GLN A 53 6.353 -2.555 14.475 1.00 1.00 H new ATOM 0 HE22 GLN A 53 7.567 -3.560 15.273 1.00 1.00 H new ATOM 736 N ALA A 54 7.763 -1.843 8.356 1.00 1.00 N ATOM 737 CA ALA A 54 8.428 -0.879 7.488 1.00 1.00 C ATOM 738 C ALA A 54 7.467 -0.392 6.416 1.00 1.00 C ATOM 739 O ALA A 54 7.575 0.733 5.932 1.00 1.00 O ATOM 740 CB ALA A 54 9.639 -1.526 6.820 1.00 1.00 C ATOM 0 H ALA A 54 8.149 -2.786 8.318 1.00 1.00 H new ATOM 0 HA ALA A 54 8.755 -0.033 8.093 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.130 -0.799 6.173 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.339 -1.863 7.584 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.314 -2.379 6.225 1.00 1.00 H new ATOM 746 N LEU A 55 6.528 -1.253 6.050 1.00 1.00 N ATOM 747 CA LEU A 55 5.547 -0.903 5.028 1.00 1.00 C ATOM 748 C LEU A 55 4.729 0.302 5.478 1.00 1.00 C ATOM 749 O LEU A 55 4.336 1.140 4.666 1.00 1.00 O ATOM 750 CB LEU A 55 4.621 -2.090 4.755 1.00 1.00 C ATOM 751 CG LEU A 55 4.597 -2.381 3.251 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.678 -3.572 2.970 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.080 -1.151 2.499 1.00 1.00 C ATOM 0 H LEU A 55 6.423 -2.190 6.440 1.00 1.00 H new ATOM 0 HA LEU A 55 6.075 -0.650 4.109 1.00 1.00 H new ATOM 0 HB2 LEU A 55 4.966 -2.968 5.301 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.614 -1.869 5.110 1.00 1.00 H new ATOM 0 HG LEU A 55 5.607 -2.616 2.915 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.664 -3.776 1.899 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.047 -4.449 3.501 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.668 -3.340 3.309 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.063 -1.359 1.429 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.072 -0.914 2.838 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.737 -0.303 2.694 1.00 1.00 H new ATOM 765 N GLU A 56 4.484 0.385 6.781 1.00 1.00 N ATOM 766 CA GLU A 56 3.720 1.493 7.337 1.00 1.00 C ATOM 767 C GLU A 56 4.532 2.783 7.281 1.00 1.00 C ATOM 768 O GLU A 56 3.982 3.866 7.077 1.00 1.00 O ATOM 769 CB GLU A 56 3.341 1.189 8.788 1.00 1.00 C ATOM 770 CG GLU A 56 1.855 0.829 8.863 1.00 1.00 C ATOM 771 CD GLU A 56 1.555 -0.342 7.935 1.00 1.00 C ATOM 772 OE1 GLU A 56 2.121 -1.401 8.147 1.00 1.00 O ATOM 773 OE2 GLU A 56 0.763 -0.163 7.024 1.00 1.00 O ATOM 0 H GLU A 56 4.802 -0.299 7.468 1.00 1.00 H new ATOM 0 HA GLU A 56 2.814 1.620 6.744 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.945 0.365 9.168 1.00 1.00 H new ATOM 0 HB3 GLU A 56 3.549 2.054 9.418 1.00 1.00 H new ATOM 0 HG2 GLU A 56 1.586 0.570 9.887 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.249 1.691 8.583 1.00 1.00 H new ATOM 780 N ARG A 57 5.842 2.662 7.476 1.00 1.00 N ATOM 781 CA ARG A 57 6.719 3.822 7.458 1.00 1.00 C ATOM 782 C ARG A 57 6.629 4.556 6.124 1.00 1.00 C ATOM 783 O ARG A 57 6.341 5.753 6.086 1.00 1.00 O ATOM 784 CB ARG A 57 8.164 3.368 7.702 1.00 1.00 C ATOM 785 CG ARG A 57 9.115 4.571 7.688 1.00 1.00 C ATOM 786 CD ARG A 57 8.682 5.592 8.741 1.00 1.00 C ATOM 787 NE ARG A 57 8.118 4.921 9.908 1.00 1.00 N ATOM 788 CZ ARG A 57 7.347 5.571 10.773 1.00 1.00 C ATOM 789 NH1 ARG A 57 7.082 6.835 10.587 1.00 1.00 N ATOM 790 NH2 ARG A 57 6.858 4.946 11.807 1.00 1.00 N ATOM 0 H ARG A 57 6.315 1.775 7.647 1.00 1.00 H new ATOM 0 HA ARG A 57 6.406 4.508 8.245 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.233 2.854 8.661 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.461 2.653 6.935 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.135 4.241 7.887 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.116 5.033 6.701 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.537 6.197 9.041 1.00 1.00 H new ATOM 0 HD3 ARG A 57 7.944 6.272 8.314 1.00 1.00 H new ATOM 0 HE ARG A 57 8.320 3.933 10.063 1.00 1.00 H new ATOM 0 HH11 ARG A 57 7.467 7.323 9.778 1.00 1.00 H new ATOM 0 HH12 ARG A 57 6.490 7.335 11.250 1.00 1.00 H new ATOM 0 HH21 ARG A 57 7.067 3.958 11.952 1.00 1.00 H new ATOM 0 HH22 ARG A 57 6.266 5.445 12.471 1.00 1.00 H new ATOM 804 N LEU A 58 6.876 3.841 5.029 1.00 1.00 N ATOM 805 CA LEU A 58 6.818 4.460 3.709 1.00 1.00 C ATOM 806 C LEU A 58 5.425 5.038 3.466 1.00 1.00 C ATOM 807 O LEU A 58 5.271 6.074 2.822 1.00 1.00 O ATOM 808 CB LEU A 58 7.155 3.432 2.624 1.00 1.00 C ATOM 809 CG LEU A 58 7.227 4.115 1.249 1.00 1.00 C ATOM 810 CD1 LEU A 58 8.356 5.149 1.229 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.497 3.061 0.172 1.00 1.00 C ATOM 0 H LEU A 58 7.114 2.849 5.028 1.00 1.00 H new ATOM 0 HA LEU A 58 7.551 5.266 3.667 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.107 2.953 2.850 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.399 2.647 2.609 1.00 1.00 H new ATOM 0 HG LEU A 58 6.279 4.616 1.054 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.396 5.625 0.249 1.00 1.00 H new ATOM 0 HD12 LEU A 58 8.171 5.905 1.993 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.306 4.654 1.431 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.548 3.543 -0.804 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.443 2.562 0.381 1.00 1.00 H new ATOM 0 HD23 LEU A 58 6.692 2.326 0.172 1.00 1.00 H new ATOM 823 N SER A 59 4.413 4.363 3.991 1.00 1.00 N ATOM 824 CA SER A 59 3.043 4.831 3.837 1.00 1.00 C ATOM 825 C SER A 59 2.840 6.140 4.599 1.00 1.00 C ATOM 826 O SER A 59 2.155 7.048 4.127 1.00 1.00 O ATOM 827 CB SER A 59 2.067 3.778 4.360 1.00 1.00 C ATOM 828 OG SER A 59 1.594 4.171 5.642 1.00 1.00 O ATOM 0 H SER A 59 4.512 3.498 4.522 1.00 1.00 H new ATOM 0 HA SER A 59 2.853 5.003 2.778 1.00 1.00 H new ATOM 0 HB2 SER A 59 1.231 3.666 3.670 1.00 1.00 H new ATOM 0 HB3 SER A 59 2.560 2.808 4.423 1.00 1.00 H new ATOM 0 HG SER A 59 2.304 4.044 6.306 1.00 1.00 H new ATOM 834 N ARG A 60 3.421 6.210 5.796 1.00 1.00 N ATOM 835 CA ARG A 60 3.285 7.391 6.649 1.00 1.00 C ATOM 836 C ARG A 60 3.975 8.620 6.058 1.00 1.00 C ATOM 837 O ARG A 60 3.397 9.708 6.040 1.00 1.00 O ATOM 838 CB ARG A 60 3.880 7.097 8.026 1.00 1.00 C ATOM 839 CG ARG A 60 3.612 8.276 8.966 1.00 1.00 C ATOM 840 CD ARG A 60 3.882 7.848 10.408 1.00 1.00 C ATOM 841 NE ARG A 60 2.666 7.318 11.013 1.00 1.00 N ATOM 842 CZ ARG A 60 1.780 8.117 11.597 1.00 1.00 C ATOM 843 NH1 ARG A 60 1.991 9.405 11.639 1.00 1.00 N ATOM 844 NH2 ARG A 60 0.700 7.616 12.132 1.00 1.00 N ATOM 0 H ARG A 60 3.990 5.464 6.197 1.00 1.00 H new ATOM 0 HA ARG A 60 2.221 7.614 6.727 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.442 6.186 8.435 1.00 1.00 H new ATOM 0 HB3 ARG A 60 4.953 6.924 7.940 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.249 9.119 8.700 1.00 1.00 H new ATOM 0 HG3 ARG A 60 2.580 8.611 8.862 1.00 1.00 H new ATOM 0 HD2 ARG A 60 4.667 7.092 10.430 1.00 1.00 H new ATOM 0 HD3 ARG A 60 4.243 8.699 10.986 1.00 1.00 H new ATOM 0 HE ARG A 60 2.492 6.313 10.987 1.00 1.00 H new ATOM 0 HH11 ARG A 60 2.836 9.797 11.223 1.00 1.00 H new ATOM 0 HH12 ARG A 60 1.311 10.019 12.087 1.00 1.00 H new ATOM 0 HH21 ARG A 60 0.536 6.610 12.102 1.00 1.00 H new ATOM 0 HH22 ARG A 60 0.020 8.231 12.580 1.00 1.00 H new ATOM 858 N VAL A 61 5.206 8.459 5.581 1.00 1.00 N ATOM 859 CA VAL A 61 5.931 9.591 5.009 1.00 1.00 C ATOM 860 C VAL A 61 5.294 10.016 3.690 1.00 1.00 C ATOM 861 O VAL A 61 5.132 11.205 3.422 1.00 1.00 O ATOM 862 CB VAL A 61 7.404 9.229 4.780 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.496 8.147 3.715 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.181 10.467 4.309 1.00 1.00 C ATOM 0 H VAL A 61 5.715 7.575 5.578 1.00 1.00 H new ATOM 0 HA VAL A 61 5.879 10.420 5.714 1.00 1.00 H new ATOM 0 HB VAL A 61 7.833 8.868 5.715 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.542 7.887 3.550 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.951 7.263 4.046 1.00 1.00 H new ATOM 0 HG13 VAL A 61 7.062 8.514 2.785 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.226 10.202 4.149 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.752 10.832 3.376 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.117 11.247 5.068 1.00 1.00 H new ATOM 874 N ALA A 62 4.939 9.033 2.871 1.00 1.00 N ATOM 875 CA ALA A 62 4.322 9.311 1.579 1.00 1.00 C ATOM 876 C ALA A 62 3.163 10.291 1.733 1.00 1.00 C ATOM 877 O ALA A 62 2.964 11.168 0.893 1.00 1.00 O ATOM 878 CB ALA A 62 3.815 8.013 0.952 1.00 1.00 C ATOM 0 H ALA A 62 5.067 8.042 3.076 1.00 1.00 H new ATOM 0 HA ALA A 62 5.075 9.759 0.930 1.00 1.00 H new ATOM 0 HB1 ALA A 62 3.356 8.230 -0.012 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.650 7.327 0.810 1.00 1.00 H new ATOM 0 HB3 ALA A 62 3.077 7.555 1.610 1.00 1.00 H new ATOM 884 N LEU A 63 2.403 10.137 2.812 1.00 1.00 N ATOM 885 CA LEU A 63 1.265 11.015 3.063 1.00 1.00 C ATOM 886 C LEU A 63 1.726 12.459 3.232 1.00 1.00 C ATOM 887 O LEU A 63 0.932 13.391 3.104 1.00 1.00 O ATOM 888 CB LEU A 63 0.534 10.575 4.333 1.00 1.00 C ATOM 889 CG LEU A 63 -0.314 9.335 4.038 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.482 8.517 5.319 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.694 9.768 3.531 1.00 1.00 C ATOM 0 H LEU A 63 2.552 9.419 3.521 1.00 1.00 H new ATOM 0 HA LEU A 63 0.593 10.951 2.208 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.254 10.356 5.121 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -0.101 11.383 4.697 1.00 1.00 H new ATOM 0 HG LEU A 63 0.181 8.730 3.279 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.086 7.634 5.110 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.497 8.209 5.685 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -0.978 9.124 6.076 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.298 8.885 3.321 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.188 10.373 4.292 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.579 10.354 2.619 1.00 1.00 H new ATOM 903 N VAL A 64 3.009 12.634 3.532 1.00 1.00 N ATOM 904 CA VAL A 64 3.564 13.967 3.735 1.00 1.00 C ATOM 905 C VAL A 64 4.448 14.387 2.563 1.00 1.00 C ATOM 906 O VAL A 64 4.322 15.502 2.055 1.00 1.00 O ATOM 907 CB VAL A 64 4.377 13.995 5.031 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.199 15.350 5.713 1.00 1.00 C ATOM 909 CG2 VAL A 64 3.880 12.891 5.968 1.00 1.00 C ATOM 0 H VAL A 64 3.681 11.874 3.639 1.00 1.00 H new ATOM 0 HA VAL A 64 2.735 14.672 3.803 1.00 1.00 H new ATOM 0 HB VAL A 64 5.431 13.835 4.802 1.00 1.00 H new ATOM 0 HG11 VAL A 64 4.778 15.371 6.636 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.547 16.140 5.048 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.145 15.507 5.942 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.458 12.910 6.892 1.00 1.00 H new ATOM 0 HG22 VAL A 64 2.827 13.054 6.196 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.000 11.922 5.484 1.00 1.00 H new ATOM 919 N ARG A 65 5.341 13.497 2.135 1.00 1.00 N ATOM 920 CA ARG A 65 6.234 13.807 1.022 1.00 1.00 C ATOM 921 C ARG A 65 6.358 12.619 0.073 1.00 1.00 C ATOM 922 O ARG A 65 7.319 11.851 0.138 1.00 1.00 O ATOM 923 CB ARG A 65 7.613 14.196 1.546 1.00 1.00 C ATOM 924 CG ARG A 65 7.451 15.180 2.709 1.00 1.00 C ATOM 925 CD ARG A 65 8.722 16.015 2.858 1.00 1.00 C ATOM 926 NE ARG A 65 8.583 16.955 3.966 1.00 1.00 N ATOM 927 CZ ARG A 65 9.626 17.649 4.410 1.00 1.00 C ATOM 928 NH1 ARG A 65 10.793 17.507 3.842 1.00 1.00 N ATOM 929 NH2 ARG A 65 9.483 18.472 5.412 1.00 1.00 N ATOM 0 H ARG A 65 5.465 12.567 2.536 1.00 1.00 H new ATOM 0 HA ARG A 65 5.808 14.646 0.471 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.153 13.309 1.877 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.203 14.650 0.750 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.595 15.831 2.530 1.00 1.00 H new ATOM 0 HG3 ARG A 65 7.251 14.637 3.633 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.577 15.361 3.032 1.00 1.00 H new ATOM 0 HD3 ARG A 65 8.919 16.558 1.934 1.00 1.00 H new ATOM 0 HE ARG A 65 7.672 17.081 4.406 1.00 1.00 H new ATOM 0 HH11 ARG A 65 10.904 16.864 3.058 1.00 1.00 H new ATOM 0 HH12 ARG A 65 11.594 18.039 4.182 1.00 1.00 H new ATOM 0 HH21 ARG A 65 8.571 18.583 5.855 1.00 1.00 H new ATOM 0 HH22 ARG A 65 10.283 19.005 5.753 1.00 1.00 H new ATOM 943 N ARG A 66 5.380 12.490 -0.811 1.00 1.00 N ATOM 944 CA ARG A 66 5.365 11.411 -1.790 1.00 1.00 C ATOM 945 C ARG A 66 6.593 11.474 -2.694 1.00 1.00 C ATOM 946 O ARG A 66 7.069 10.450 -3.183 1.00 1.00 O ATOM 947 CB ARG A 66 4.099 11.500 -2.640 1.00 1.00 C ATOM 948 CG ARG A 66 4.076 10.348 -3.647 1.00 1.00 C ATOM 949 CD ARG A 66 2.681 10.233 -4.263 1.00 1.00 C ATOM 950 NE ARG A 66 2.778 10.067 -5.709 1.00 1.00 N ATOM 951 CZ ARG A 66 3.072 8.889 -6.247 1.00 1.00 C ATOM 952 NH1 ARG A 66 3.283 7.856 -5.479 1.00 1.00 N ATOM 953 NH2 ARG A 66 3.148 8.764 -7.544 1.00 1.00 N ATOM 0 H ARG A 66 4.582 13.122 -0.871 1.00 1.00 H new ATOM 0 HA ARG A 66 5.381 10.463 -1.252 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.216 11.456 -2.002 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.067 12.455 -3.164 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.817 10.520 -4.428 1.00 1.00 H new ATOM 0 HG3 ARG A 66 4.345 9.414 -3.153 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.153 9.385 -3.827 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.099 11.125 -4.031 1.00 1.00 H new ATOM 0 HE ARG A 66 2.617 10.870 -6.317 1.00 1.00 H new ATOM 0 HH11 ARG A 66 3.222 7.953 -4.465 1.00 1.00 H new ATOM 0 HH12 ARG A 66 3.509 6.951 -5.892 1.00 1.00 H new ATOM 0 HH21 ARG A 66 2.982 9.571 -8.145 1.00 1.00 H new ATOM 0 HH22 ARG A 66 3.374 7.859 -7.957 1.00 1.00 H new ATOM 967 N ASP A 67 7.090 12.686 -2.931 1.00 1.00 N ATOM 968 CA ASP A 67 8.250 12.866 -3.800 1.00 1.00 C ATOM 969 C ASP A 67 9.436 12.039 -3.315 1.00 1.00 C ATOM 970 O ASP A 67 10.087 11.348 -4.100 1.00 1.00 O ATOM 971 CB ASP A 67 8.641 14.345 -3.843 1.00 1.00 C ATOM 972 CG ASP A 67 10.125 14.483 -4.165 1.00 1.00 C ATOM 973 OD1 ASP A 67 10.484 14.267 -5.310 1.00 1.00 O ATOM 974 OD2 ASP A 67 10.879 14.809 -3.263 1.00 1.00 O ATOM 0 H ASP A 67 6.713 13.549 -2.539 1.00 1.00 H new ATOM 0 HA ASP A 67 7.980 12.526 -4.800 1.00 1.00 H new ATOM 0 HB2 ASP A 67 8.047 14.865 -4.595 1.00 1.00 H new ATOM 0 HB3 ASP A 67 8.423 14.815 -2.884 1.00 1.00 H new ATOM 979 N ARG A 68 9.710 12.110 -2.020 1.00 1.00 N ATOM 980 CA ARG A 68 10.817 11.363 -1.443 1.00 1.00 C ATOM 981 C ARG A 68 10.491 9.875 -1.403 1.00 1.00 C ATOM 982 O ARG A 68 11.357 9.031 -1.630 1.00 1.00 O ATOM 983 CB ARG A 68 11.093 11.872 -0.030 1.00 1.00 C ATOM 984 CG ARG A 68 11.083 13.402 -0.031 1.00 1.00 C ATOM 985 CD ARG A 68 11.430 13.914 1.365 1.00 1.00 C ATOM 986 NE ARG A 68 11.479 15.374 1.372 1.00 1.00 N ATOM 987 CZ ARG A 68 12.449 16.033 0.749 1.00 1.00 C ATOM 988 NH1 ARG A 68 13.381 15.378 0.115 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.469 17.337 0.773 1.00 1.00 N ATOM 0 H ARG A 68 9.184 12.674 -1.353 1.00 1.00 H new ATOM 0 HA ARG A 68 11.703 11.508 -2.062 1.00 1.00 H new ATOM 0 HB2 ARG A 68 10.338 11.493 0.659 1.00 1.00 H new ATOM 0 HB3 ARG A 68 12.058 11.504 0.319 1.00 1.00 H new ATOM 0 HG2 ARG A 68 11.802 13.781 -0.758 1.00 1.00 H new ATOM 0 HG3 ARG A 68 10.102 13.770 -0.331 1.00 1.00 H new ATOM 0 HD2 ARG A 68 10.688 13.565 2.083 1.00 1.00 H new ATOM 0 HD3 ARG A 68 12.392 13.510 1.679 1.00 1.00 H new ATOM 0 HE ARG A 68 10.755 15.897 1.865 1.00 1.00 H new ATOM 0 HH11 ARG A 68 13.366 14.358 0.097 1.00 1.00 H new ATOM 0 HH12 ARG A 68 14.126 15.885 -0.363 1.00 1.00 H new ATOM 0 HH21 ARG A 68 11.740 17.849 1.270 1.00 1.00 H new ATOM 0 HH22 ARG A 68 13.213 17.845 0.295 1.00 1.00 H new ATOM 1003 N ALA A 69 9.229 9.566 -1.123 1.00 1.00 N ATOM 1004 CA ALA A 69 8.784 8.179 -1.064 1.00 1.00 C ATOM 1005 C ALA A 69 8.854 7.531 -2.441 1.00 1.00 C ATOM 1006 O ALA A 69 9.048 6.321 -2.562 1.00 1.00 O ATOM 1007 CB ALA A 69 7.343 8.117 -0.561 1.00 1.00 C ATOM 0 H ALA A 69 8.500 10.254 -0.934 1.00 1.00 H new ATOM 0 HA ALA A 69 9.441 7.640 -0.381 1.00 1.00 H new ATOM 0 HB1 ALA A 69 7.017 7.078 -0.519 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.286 8.555 0.435 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.696 8.673 -1.240 1.00 1.00 H new ATOM 1013 N GLN A 70 8.676 8.344 -3.475 1.00 1.00 N ATOM 1014 CA GLN A 70 8.699 7.840 -4.842 1.00 1.00 C ATOM 1015 C GLN A 70 10.098 7.378 -5.229 1.00 1.00 C ATOM 1016 O GLN A 70 10.260 6.417 -5.979 1.00 1.00 O ATOM 1017 CB GLN A 70 8.233 8.934 -5.808 1.00 1.00 C ATOM 1018 CG GLN A 70 7.650 8.297 -7.074 1.00 1.00 C ATOM 1019 CD GLN A 70 8.047 9.111 -8.300 1.00 1.00 C ATOM 1020 OE1 GLN A 70 7.197 9.451 -9.122 1.00 1.00 O ATOM 1021 NE2 GLN A 70 9.299 9.435 -8.479 1.00 1.00 N ATOM 0 H GLN A 70 8.515 9.348 -3.394 1.00 1.00 H new ATOM 0 HA GLN A 70 8.024 6.986 -4.902 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.482 9.561 -5.327 1.00 1.00 H new ATOM 0 HB3 GLN A 70 9.070 9.582 -6.069 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.011 7.273 -7.175 1.00 1.00 H new ATOM 0 HG3 GLN A 70 6.564 8.246 -6.998 1.00 1.00 H new ATOM 0 HE21 GLN A 70 10.002 9.152 -7.796 1.00 1.00 H new ATOM 0 HE22 GLN A 70 9.574 9.971 -9.302 1.00 1.00 H new ATOM 1030 N ALA A 71 11.108 8.074 -4.723 1.00 1.00 N ATOM 1031 CA ALA A 71 12.488 7.725 -5.033 1.00 1.00 C ATOM 1032 C ALA A 71 12.922 6.475 -4.268 1.00 1.00 C ATOM 1033 O ALA A 71 13.738 5.694 -4.757 1.00 1.00 O ATOM 1034 CB ALA A 71 13.408 8.892 -4.681 1.00 1.00 C ATOM 0 H ALA A 71 11.000 8.876 -4.102 1.00 1.00 H new ATOM 0 HA ALA A 71 12.557 7.515 -6.100 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.439 8.626 -4.915 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.120 9.770 -5.259 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.323 9.114 -3.617 1.00 1.00 H new ATOM 1040 N VAL A 72 12.373 6.289 -3.069 1.00 1.00 N ATOM 1041 CA VAL A 72 12.720 5.124 -2.257 1.00 1.00 C ATOM 1042 C VAL A 72 12.303 3.843 -2.968 1.00 1.00 C ATOM 1043 O VAL A 72 13.088 2.900 -3.091 1.00 1.00 O ATOM 1044 CB VAL A 72 12.022 5.197 -0.897 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.452 4.005 -0.043 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.414 6.494 -0.183 1.00 1.00 C ATOM 0 H VAL A 72 11.695 6.921 -2.642 1.00 1.00 H new ATOM 0 HA VAL A 72 13.800 5.120 -2.108 1.00 1.00 H new ATOM 0 HB VAL A 72 10.942 5.176 -1.045 1.00 1.00 H new ATOM 0 HG11 VAL A 72 11.956 4.054 0.927 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.175 3.078 -0.546 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.532 4.031 0.100 1.00 1.00 H new ATOM 0 HG21 VAL A 72 11.915 6.542 0.785 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.494 6.516 -0.036 1.00 1.00 H new ATOM 0 HG23 VAL A 72 12.113 7.348 -0.789 1.00 1.00 H new ATOM 1056 N GLU A 73 11.067 3.824 -3.442 1.00 1.00 N ATOM 1057 CA GLU A 73 10.553 2.658 -4.149 1.00 1.00 C ATOM 1058 C GLU A 73 11.330 2.445 -5.444 1.00 1.00 C ATOM 1059 O GLU A 73 11.544 1.311 -5.871 1.00 1.00 O ATOM 1060 CB GLU A 73 9.065 2.837 -4.459 1.00 1.00 C ATOM 1061 CG GLU A 73 8.841 4.180 -5.157 1.00 1.00 C ATOM 1062 CD GLU A 73 7.367 4.340 -5.512 1.00 1.00 C ATOM 1063 OE1 GLU A 73 6.540 4.082 -4.652 1.00 1.00 O ATOM 1064 OE2 GLU A 73 7.085 4.714 -6.639 1.00 1.00 O ATOM 0 H GLU A 73 10.405 4.595 -3.352 1.00 1.00 H new ATOM 0 HA GLU A 73 10.677 1.783 -3.511 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.716 2.023 -5.095 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.484 2.794 -3.538 1.00 1.00 H new ATOM 0 HG2 GLU A 73 9.158 4.995 -4.507 1.00 1.00 H new ATOM 0 HG3 GLU A 73 9.450 4.237 -6.059 1.00 1.00 H new ATOM 1071 N THR A 74 11.752 3.545 -6.065 1.00 1.00 N ATOM 1072 CA THR A 74 12.505 3.463 -7.310 1.00 1.00 C ATOM 1073 C THR A 74 13.883 2.864 -7.058 1.00 1.00 C ATOM 1074 O THR A 74 14.432 2.162 -7.908 1.00 1.00 O ATOM 1075 CB THR A 74 12.657 4.857 -7.923 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.413 5.540 -7.854 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.089 4.729 -9.385 1.00 1.00 C ATOM 0 H THR A 74 11.586 4.494 -5.729 1.00 1.00 H new ATOM 0 HA THR A 74 11.960 2.821 -8.002 1.00 1.00 H new ATOM 0 HB THR A 74 13.412 5.417 -7.371 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.327 5.976 -6.981 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.197 5.722 -9.821 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.043 4.204 -9.438 1.00 1.00 H new ATOM 0 HG23 THR A 74 12.336 4.170 -9.939 1.00 1.00 H new ATOM 1085 N TYR A 75 14.435 3.144 -5.883 1.00 1.00 N ATOM 1086 CA TYR A 75 15.750 2.626 -5.526 1.00 1.00 C ATOM 1087 C TYR A 75 15.729 1.101 -5.498 1.00 1.00 C ATOM 1088 O TYR A 75 16.601 0.447 -6.070 1.00 1.00 O ATOM 1089 CB TYR A 75 16.164 3.162 -4.154 1.00 1.00 C ATOM 1090 CG TYR A 75 17.483 2.555 -3.751 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.517 1.297 -3.137 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.675 3.249 -3.994 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.743 0.734 -2.764 1.00 1.00 C ATOM 1094 CE2 TYR A 75 19.901 2.685 -3.622 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.935 1.426 -3.006 1.00 1.00 C ATOM 1096 OH TYR A 75 21.144 0.870 -2.640 1.00 1.00 O ATOM 0 H TYR A 75 13.996 3.722 -5.166 1.00 1.00 H new ATOM 0 HA TYR A 75 16.471 2.955 -6.275 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.247 4.248 -4.187 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.401 2.923 -3.413 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.598 0.761 -2.951 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.648 4.219 -4.468 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.769 -0.236 -2.289 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.821 3.220 -3.809 1.00 1.00 H new ATOM 0 HH TYR A 75 21.871 1.481 -2.881 1.00 1.00 H new ATOM 1106 N LEU A 76 14.728 0.542 -4.826 1.00 1.00 N ATOM 1107 CA LEU A 76 14.601 -0.909 -4.726 1.00 1.00 C ATOM 1108 C LEU A 76 14.293 -1.534 -6.086 1.00 1.00 C ATOM 1109 O LEU A 76 14.812 -2.599 -6.417 1.00 1.00 O ATOM 1110 CB LEU A 76 13.481 -1.273 -3.750 1.00 1.00 C ATOM 1111 CG LEU A 76 13.641 -2.737 -3.313 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.860 -2.892 -2.392 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.385 -3.193 -2.563 1.00 1.00 C ATOM 0 H LEU A 76 13.997 1.067 -4.345 1.00 1.00 H new ATOM 0 HA LEU A 76 15.553 -1.299 -4.366 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.514 -0.617 -2.880 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.510 -1.127 -4.223 1.00 1.00 H new ATOM 0 HG LEU A 76 13.785 -3.350 -4.203 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.959 -3.935 -2.092 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.759 -2.581 -2.923 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.728 -2.270 -1.506 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.502 -4.232 -2.255 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.240 -2.567 -1.682 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.518 -3.105 -3.218 1.00 1.00 H new ATOM 1125 N LYS A 77 13.442 -0.874 -6.866 1.00 1.00 N ATOM 1126 CA LYS A 77 13.074 -1.390 -8.176 1.00 1.00 C ATOM 1127 C LYS A 77 14.317 -1.567 -9.039 1.00 1.00 C ATOM 1128 O LYS A 77 14.469 -2.580 -9.723 1.00 1.00 O ATOM 1129 CB LYS A 77 12.068 -0.431 -8.837 1.00 1.00 C ATOM 1130 CG LYS A 77 12.367 -0.271 -10.330 1.00 1.00 C ATOM 1131 CD LYS A 77 11.198 0.450 -11.010 1.00 1.00 C ATOM 1132 CE LYS A 77 11.061 1.866 -10.447 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.327 2.718 -11.424 1.00 1.00 N ATOM 0 H LYS A 77 12.999 0.010 -6.615 1.00 1.00 H new ATOM 0 HA LYS A 77 12.603 -2.367 -8.067 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.055 -0.811 -8.703 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.111 0.542 -8.347 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.288 0.295 -10.469 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.522 -1.248 -10.788 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.362 0.492 -12.087 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.274 -0.105 -10.850 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.528 1.841 -9.497 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.047 2.287 -10.249 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 10.233 3.681 -11.043 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 10.853 2.750 -12.320 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.382 2.318 -11.592 1.00 1.00 H new ATOM 1147 N LYS A 78 15.209 -0.585 -8.998 1.00 1.00 N ATOM 1148 CA LYS A 78 16.438 -0.659 -9.779 1.00 1.00 C ATOM 1149 C LYS A 78 17.290 -1.826 -9.297 1.00 1.00 C ATOM 1150 O LYS A 78 17.915 -2.523 -10.093 1.00 1.00 O ATOM 1151 CB LYS A 78 17.228 0.643 -9.640 1.00 1.00 C ATOM 1152 CG LYS A 78 17.365 1.309 -11.012 1.00 1.00 C ATOM 1153 CD LYS A 78 15.981 1.697 -11.537 1.00 1.00 C ATOM 1154 CE LYS A 78 15.980 3.175 -11.933 1.00 1.00 C ATOM 1155 NZ LYS A 78 16.969 3.398 -13.024 1.00 1.00 N ATOM 0 H LYS A 78 15.107 0.262 -8.440 1.00 1.00 H new ATOM 0 HA LYS A 78 16.179 -0.810 -10.827 1.00 1.00 H new ATOM 0 HB2 LYS A 78 16.722 1.315 -8.947 1.00 1.00 H new ATOM 0 HB3 LYS A 78 18.214 0.439 -9.223 1.00 1.00 H new ATOM 0 HG2 LYS A 78 17.997 2.194 -10.936 1.00 1.00 H new ATOM 0 HG3 LYS A 78 17.852 0.628 -11.710 1.00 1.00 H new ATOM 0 HD2 LYS A 78 15.720 1.079 -12.396 1.00 1.00 H new ATOM 0 HD3 LYS A 78 15.226 1.514 -10.772 1.00 1.00 H new ATOM 0 HE2 LYS A 78 14.985 3.473 -12.263 1.00 1.00 H new ATOM 0 HE3 LYS A 78 16.228 3.794 -11.071 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 16.687 4.228 -13.584 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 17.910 3.562 -12.612 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 17.002 2.560 -13.639 1.00 1.00 H new ATOM 1169 N LEU A 79 17.300 -2.034 -7.985 1.00 1.00 N ATOM 1170 CA LEU A 79 18.070 -3.123 -7.393 1.00 1.00 C ATOM 1171 C LEU A 79 17.467 -4.474 -7.768 1.00 1.00 C ATOM 1172 O LEU A 79 18.180 -5.391 -8.176 1.00 1.00 O ATOM 1173 CB LEU A 79 18.080 -2.976 -5.869 1.00 1.00 C ATOM 1174 CG LEU A 79 19.503 -2.701 -5.382 1.00 1.00 C ATOM 1175 CD1 LEU A 79 20.019 -1.403 -6.006 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.502 -2.565 -3.858 1.00 1.00 C ATOM 0 H LEU A 79 16.786 -1.465 -7.313 1.00 1.00 H new ATOM 0 HA LEU A 79 19.089 -3.075 -7.776 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.420 -2.162 -5.569 1.00 1.00 H new ATOM 0 HB3 LEU A 79 17.697 -3.885 -5.405 1.00 1.00 H new ATOM 0 HG LEU A 79 20.151 -3.527 -5.676 1.00 1.00 H new ATOM 0 HD11 LEU A 79 21.033 -1.210 -5.657 1.00 1.00 H new ATOM 0 HD12 LEU A 79 20.021 -1.497 -7.092 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.371 -0.576 -5.714 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.516 -2.369 -3.510 1.00 1.00 H new ATOM 0 HD22 LEU A 79 18.852 -1.740 -3.567 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.137 -3.489 -3.410 1.00 1.00 H new ATOM 1188 N ILE A 80 16.150 -4.592 -7.621 1.00 1.00 N ATOM 1189 CA ILE A 80 15.467 -5.839 -7.944 1.00 1.00 C ATOM 1190 C ILE A 80 15.488 -6.091 -9.447 1.00 1.00 C ATOM 1191 O ILE A 80 15.745 -7.208 -9.896 1.00 1.00 O ATOM 1192 CB ILE A 80 14.018 -5.790 -7.454 1.00 1.00 C ATOM 1193 CG1 ILE A 80 13.990 -5.984 -5.935 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.215 -6.906 -8.126 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.591 -5.664 -5.402 1.00 1.00 C ATOM 0 H ILE A 80 15.541 -3.847 -7.284 1.00 1.00 H new ATOM 0 HA ILE A 80 15.991 -6.653 -7.443 1.00 1.00 H new ATOM 0 HB ILE A 80 13.579 -4.825 -7.707 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.260 -7.010 -5.684 1.00 1.00 H new ATOM 0 HG13 ILE A 80 14.728 -5.336 -5.462 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.183 -6.872 -7.778 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.238 -6.770 -9.207 1.00 1.00 H new ATOM 0 HG23 ILE A 80 13.652 -7.872 -7.872 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.573 -5.803 -4.321 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.339 -4.631 -5.640 1.00 1.00 H new ATOM 0 HD13 ILE A 80 11.864 -6.331 -5.865 1.00 1.00 H new ATOM 1207 N ALA A 81 15.215 -5.046 -10.222 1.00 1.00 N ATOM 1208 CA ALA A 81 15.205 -5.169 -11.673 1.00 1.00 C ATOM 1209 C ALA A 81 16.597 -5.510 -12.191 1.00 1.00 C ATOM 1210 O ALA A 81 16.745 -6.281 -13.139 1.00 1.00 O ATOM 1211 CB ALA A 81 14.729 -3.859 -12.304 1.00 1.00 C ATOM 0 H ALA A 81 15.000 -4.112 -9.872 1.00 1.00 H new ATOM 0 HA ALA A 81 14.522 -5.973 -11.947 1.00 1.00 H new ATOM 0 HB1 ALA A 81 14.724 -3.959 -13.389 1.00 1.00 H new ATOM 0 HB2 ALA A 81 13.721 -3.633 -11.956 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.402 -3.051 -12.017 1.00 1.00 H new ATOM 1306 N LYS A 88 16.110 -7.387 2.305 1.00 1.00 N ATOM 1307 CA LYS A 88 14.714 -6.967 2.375 1.00 1.00 C ATOM 1308 C LYS A 88 14.608 -5.593 3.028 1.00 1.00 C ATOM 1309 O LYS A 88 14.874 -5.439 4.220 1.00 1.00 O ATOM 1310 CB LYS A 88 13.903 -7.983 3.180 1.00 1.00 C ATOM 1311 CG LYS A 88 14.387 -9.397 2.854 1.00 1.00 C ATOM 1312 CD LYS A 88 14.394 -9.597 1.337 1.00 1.00 C ATOM 1313 CE LYS A 88 14.312 -11.091 1.019 1.00 1.00 C ATOM 1314 NZ LYS A 88 12.951 -11.596 1.361 1.00 1.00 N ATOM 0 HA LYS A 88 14.316 -6.910 1.362 1.00 1.00 H new ATOM 0 HB2 LYS A 88 14.011 -7.787 4.247 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.843 -7.887 2.944 1.00 1.00 H new ATOM 0 HG2 LYS A 88 15.388 -9.552 3.257 1.00 1.00 H new ATOM 0 HG3 LYS A 88 13.736 -10.133 3.326 1.00 1.00 H new ATOM 0 HD2 LYS A 88 13.552 -9.072 0.886 1.00 1.00 H new ATOM 0 HD3 LYS A 88 15.301 -9.172 0.908 1.00 1.00 H new ATOM 0 HE2 LYS A 88 14.520 -11.261 -0.037 1.00 1.00 H new ATOM 0 HE3 LYS A 88 15.067 -11.637 1.585 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 12.740 -12.439 0.790 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 12.916 -11.844 2.370 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 12.246 -10.857 1.162 1.00 1.00 H new ATOM 1328 N ILE A 89 14.219 -4.599 2.240 1.00 1.00 N ATOM 1329 CA ILE A 89 14.082 -3.241 2.752 1.00 1.00 C ATOM 1330 C ILE A 89 13.413 -3.262 4.126 1.00 1.00 C ATOM 1331 O ILE A 89 12.583 -4.126 4.409 1.00 1.00 O ATOM 1332 CB ILE A 89 13.275 -2.387 1.755 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.249 -1.492 0.976 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.244 -1.512 2.488 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.503 -0.719 -0.113 1.00 1.00 C ATOM 0 H ILE A 89 13.994 -4.706 1.251 1.00 1.00 H new ATOM 0 HA ILE A 89 15.070 -2.795 2.865 1.00 1.00 H new ATOM 0 HB ILE A 89 12.736 -3.047 1.075 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.737 -0.795 1.657 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.034 -2.101 0.527 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.688 -0.919 1.762 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.554 -2.149 3.041 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.759 -0.847 3.181 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.206 -0.088 -0.658 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.036 -1.422 -0.803 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.735 -0.095 0.345 1.00 1.00 H new ATOM 1347 N THR A 90 13.781 -2.304 4.972 1.00 1.00 N ATOM 1348 CA THR A 90 13.215 -2.215 6.313 1.00 1.00 C ATOM 1349 C THR A 90 12.803 -0.778 6.626 1.00 1.00 C ATOM 1350 O THR A 90 13.063 0.136 5.843 1.00 1.00 O ATOM 1351 CB THR A 90 14.239 -2.690 7.345 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.257 -1.708 7.486 1.00 1.00 O ATOM 1353 CG2 THR A 90 14.860 -4.008 6.879 1.00 1.00 C ATOM 0 H THR A 90 14.466 -1.581 4.753 1.00 1.00 H new ATOM 0 HA THR A 90 12.332 -2.853 6.358 1.00 1.00 H new ATOM 0 HB THR A 90 13.745 -2.842 8.305 1.00 1.00 H new ATOM 0 HG1 THR A 90 15.913 -2.010 8.148 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.590 -4.346 7.614 1.00 1.00 H new ATOM 0 HG22 THR A 90 14.079 -4.760 6.770 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.355 -3.858 5.919 1.00 1.00 H new ATOM 1361 N GLU A 91 12.164 -0.587 7.777 1.00 1.00 N ATOM 1362 CA GLU A 91 11.724 0.743 8.188 1.00 1.00 C ATOM 1363 C GLU A 91 12.903 1.704 8.216 1.00 1.00 C ATOM 1364 O GLU A 91 12.752 2.903 7.979 1.00 1.00 O ATOM 1365 CB GLU A 91 11.087 0.675 9.576 1.00 1.00 C ATOM 1366 CG GLU A 91 12.181 0.606 10.644 1.00 1.00 C ATOM 1367 CD GLU A 91 11.593 0.082 11.949 1.00 1.00 C ATOM 1368 OE1 GLU A 91 10.587 0.621 12.380 1.00 1.00 O ATOM 1369 OE2 GLU A 91 12.146 -0.861 12.492 1.00 1.00 O ATOM 0 H GLU A 91 11.940 -1.331 8.438 1.00 1.00 H new ATOM 0 HA GLU A 91 10.989 1.104 7.469 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.459 1.550 9.741 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.440 -0.200 9.647 1.00 1.00 H new ATOM 0 HG2 GLU A 91 12.988 -0.046 10.310 1.00 1.00 H new ATOM 0 HG3 GLU A 91 12.613 1.594 10.800 1.00 1.00 H new ATOM 1376 N ALA A 92 14.075 1.163 8.504 1.00 1.00 N ATOM 1377 CA ALA A 92 15.287 1.970 8.565 1.00 1.00 C ATOM 1378 C ALA A 92 15.845 2.185 7.164 1.00 1.00 C ATOM 1379 O ALA A 92 16.357 3.257 6.848 1.00 1.00 O ATOM 1380 CB ALA A 92 16.336 1.276 9.434 1.00 1.00 C ATOM 0 H ALA A 92 14.215 0.172 8.699 1.00 1.00 H new ATOM 0 HA ALA A 92 15.041 2.937 9.004 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.238 1.887 9.473 1.00 1.00 H new ATOM 0 HB2 ALA A 92 15.943 1.143 10.442 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.576 0.302 9.007 1.00 1.00 H new ATOM 1386 N GLU A 93 15.733 1.160 6.328 1.00 1.00 N ATOM 1387 CA GLU A 93 16.223 1.248 4.963 1.00 1.00 C ATOM 1388 C GLU A 93 15.433 2.297 4.188 1.00 1.00 C ATOM 1389 O GLU A 93 16.003 3.097 3.446 1.00 1.00 O ATOM 1390 CB GLU A 93 16.095 -0.110 4.278 1.00 1.00 C ATOM 1391 CG GLU A 93 17.144 -0.226 3.172 1.00 1.00 C ATOM 1392 CD GLU A 93 18.515 -0.507 3.781 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.638 -0.394 4.990 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.418 -0.834 3.030 1.00 1.00 O ATOM 0 H GLU A 93 15.310 0.265 6.571 1.00 1.00 H new ATOM 0 HA GLU A 93 17.273 1.541 4.983 1.00 1.00 H new ATOM 0 HB2 GLU A 93 16.229 -0.910 5.006 1.00 1.00 H new ATOM 0 HB3 GLU A 93 15.095 -0.225 3.859 1.00 1.00 H new ATOM 0 HG2 GLU A 93 16.872 -1.026 2.484 1.00 1.00 H new ATOM 0 HG3 GLU A 93 17.177 0.696 2.592 1.00 1.00 H new ATOM 1401 N ILE A 94 14.117 2.293 4.375 1.00 1.00 N ATOM 1402 CA ILE A 94 13.257 3.256 3.697 1.00 1.00 C ATOM 1403 C ILE A 94 13.608 4.665 4.154 1.00 1.00 C ATOM 1404 O ILE A 94 13.751 5.581 3.342 1.00 1.00 O ATOM 1405 CB ILE A 94 11.789 2.954 4.025 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.234 1.968 2.996 1.00 1.00 C ATOM 1407 CG2 ILE A 94 10.958 4.241 3.991 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.076 1.179 3.613 1.00 1.00 C ATOM 0 H ILE A 94 13.626 1.639 4.985 1.00 1.00 H new ATOM 0 HA ILE A 94 13.407 3.181 2.620 1.00 1.00 H new ATOM 0 HB ILE A 94 11.732 2.523 5.024 1.00 1.00 H new ATOM 0 HG12 ILE A 94 10.891 2.505 2.111 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.019 1.286 2.671 1.00 1.00 H new ATOM 0 HG21 ILE A 94 9.919 4.010 4.226 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.348 4.945 4.726 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.015 4.685 2.997 1.00 1.00 H new ATOM 0 HD11 ILE A 94 9.682 0.477 2.878 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.433 0.630 4.484 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.287 1.868 3.916 1.00 1.00 H new ATOM 1420 N VAL A 95 13.750 4.821 5.462 1.00 1.00 N ATOM 1421 CA VAL A 95 14.092 6.109 6.046 1.00 1.00 C ATOM 1422 C VAL A 95 15.511 6.515 5.659 1.00 1.00 C ATOM 1423 O VAL A 95 15.781 7.684 5.392 1.00 1.00 O ATOM 1424 CB VAL A 95 13.979 6.037 7.570 1.00 1.00 C ATOM 1425 CG1 VAL A 95 14.669 7.251 8.192 1.00 1.00 C ATOM 1426 CG2 VAL A 95 12.501 6.031 7.970 1.00 1.00 C ATOM 0 H VAL A 95 13.633 4.069 6.141 1.00 1.00 H new ATOM 0 HA VAL A 95 13.396 6.856 5.664 1.00 1.00 H new ATOM 0 HB VAL A 95 14.458 5.125 7.927 1.00 1.00 H new ATOM 0 HG11 VAL A 95 14.588 7.199 9.278 1.00 1.00 H new ATOM 0 HG12 VAL A 95 15.721 7.258 7.906 1.00 1.00 H new ATOM 0 HG13 VAL A 95 14.191 8.163 7.836 1.00 1.00 H new ATOM 0 HG21 VAL A 95 12.418 5.980 9.056 1.00 1.00 H new ATOM 0 HG22 VAL A 95 12.024 6.943 7.612 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.008 5.166 7.527 1.00 1.00 H new ATOM 1436 N SER A 96 16.415 5.540 5.656 1.00 1.00 N ATOM 1437 CA SER A 96 17.815 5.811 5.326 1.00 1.00 C ATOM 1438 C SER A 96 17.950 6.359 3.912 1.00 1.00 C ATOM 1439 O SER A 96 18.654 7.343 3.684 1.00 1.00 O ATOM 1440 CB SER A 96 18.644 4.533 5.455 1.00 1.00 C ATOM 1441 OG SER A 96 18.232 3.607 4.459 1.00 1.00 O ATOM 0 H SER A 96 16.209 4.565 5.875 1.00 1.00 H new ATOM 0 HA SER A 96 18.184 6.560 6.027 1.00 1.00 H new ATOM 0 HB2 SER A 96 19.704 4.760 5.342 1.00 1.00 H new ATOM 0 HB3 SER A 96 18.515 4.100 6.447 1.00 1.00 H new ATOM 0 HG SER A 96 17.272 3.711 4.293 1.00 1.00 H new ATOM 1447 N ILE A 97 17.268 5.727 2.964 1.00 1.00 N ATOM 1448 CA ILE A 97 17.325 6.181 1.583 1.00 1.00 C ATOM 1449 C ILE A 97 16.586 7.508 1.461 1.00 1.00 C ATOM 1450 O ILE A 97 17.055 8.439 0.806 1.00 1.00 O ATOM 1451 CB ILE A 97 16.694 5.140 0.652 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.397 3.789 0.832 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.851 5.592 -0.801 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.458 2.664 0.396 1.00 1.00 C ATOM 0 H ILE A 97 16.678 4.911 3.124 1.00 1.00 H new ATOM 0 HA ILE A 97 18.367 6.315 1.292 1.00 1.00 H new ATOM 0 HB ILE A 97 15.637 5.038 0.897 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.313 3.762 0.242 1.00 1.00 H new ATOM 0 HG13 ILE A 97 17.685 3.653 1.874 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.402 4.851 -1.463 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.353 6.552 -0.939 1.00 1.00 H new ATOM 0 HG23 ILE A 97 17.910 5.695 -1.037 1.00 1.00 H new ATOM 0 HD11 ILE A 97 16.957 1.703 0.524 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.555 2.687 1.005 1.00 1.00 H new ATOM 0 HD13 ILE A 97 16.192 2.798 -0.652 1.00 1.00 H new ATOM 1466 N LEU A 98 15.431 7.586 2.113 1.00 1.00 N ATOM 1467 CA LEU A 98 14.629 8.801 2.099 1.00 1.00 C ATOM 1468 C LEU A 98 15.455 9.984 2.592 1.00 1.00 C ATOM 1469 O LEU A 98 15.371 11.085 2.047 1.00 1.00 O ATOM 1470 CB LEU A 98 13.409 8.616 3.004 1.00 1.00 C ATOM 1471 CG LEU A 98 12.555 9.881 2.992 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.107 9.516 2.659 1.00 1.00 C ATOM 1473 CD2 LEU A 98 12.608 10.543 4.369 1.00 1.00 C ATOM 0 H LEU A 98 15.030 6.822 2.657 1.00 1.00 H new ATOM 0 HA LEU A 98 14.303 8.999 1.078 1.00 1.00 H new ATOM 0 HB2 LEU A 98 12.819 7.765 2.663 1.00 1.00 H new ATOM 0 HB3 LEU A 98 13.731 8.394 4.021 1.00 1.00 H new ATOM 0 HG LEU A 98 12.938 10.571 2.240 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.497 10.419 2.650 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.068 9.042 1.678 1.00 1.00 H new ATOM 0 HD13 LEU A 98 10.724 8.826 3.411 1.00 1.00 H new ATOM 0 HD21 LEU A 98 11.999 11.447 4.362 1.00 1.00 H new ATOM 0 HD22 LEU A 98 12.224 9.852 5.120 1.00 1.00 H new ATOM 0 HD23 LEU A 98 13.639 10.803 4.608 1.00 1.00 H new ATOM 1485 N ASN A 99 16.255 9.746 3.627 1.00 1.00 N ATOM 1486 CA ASN A 99 17.098 10.793 4.192 1.00 1.00 C ATOM 1487 C ASN A 99 18.214 11.165 3.220 1.00 1.00 C ATOM 1488 O ASN A 99 18.626 12.322 3.144 1.00 1.00 O ATOM 1489 CB ASN A 99 17.705 10.314 5.512 1.00 1.00 C ATOM 1490 CG ASN A 99 17.074 11.065 6.679 1.00 1.00 C ATOM 1491 OD1 ASN A 99 17.347 12.248 6.879 1.00 1.00 O ATOM 1492 ND2 ASN A 99 16.237 10.446 7.466 1.00 1.00 N ATOM 0 H ASN A 99 16.337 8.841 4.090 1.00 1.00 H new ATOM 0 HA ASN A 99 16.482 11.674 4.373 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.543 9.242 5.628 1.00 1.00 H new ATOM 0 HB3 ASN A 99 18.783 10.475 5.506 1.00 1.00 H new ATOM 0 HD21 ASN A 99 15.809 10.943 8.247 1.00 1.00 H new ATOM 0 HD22 ASN A 99 16.011 9.465 7.300 1.00 1.00 H new ATOM 1499 N GLY A 100 18.696 10.174 2.479 1.00 1.00 N ATOM 1500 CA GLY A 100 19.762 10.404 1.511 1.00 1.00 C ATOM 1501 C GLY A 100 19.218 11.092 0.265 1.00 1.00 C ATOM 1502 O GLY A 100 19.922 11.861 -0.392 1.00 1.00 O ATOM 0 H GLY A 100 18.368 9.209 2.529 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.542 11.018 1.961 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.222 9.455 1.237 1.00 1.00 H new ATOM 1506 N ILE A 101 17.960 10.809 -0.054 1.00 1.00 N ATOM 1507 CA ILE A 101 17.323 11.403 -1.224 1.00 1.00 C ATOM 1508 C ILE A 101 17.078 12.892 -1.004 1.00 1.00 C ATOM 1509 O ILE A 101 17.182 13.691 -1.935 1.00 1.00 O ATOM 1510 CB ILE A 101 15.994 10.693 -1.501 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.254 9.422 -2.318 1.00 1.00 C ATOM 1512 CG2 ILE A 101 15.063 11.622 -2.286 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.261 8.335 -1.904 1.00 1.00 C ATOM 0 H ILE A 101 17.363 10.175 0.478 1.00 1.00 H new ATOM 0 HA ILE A 101 17.985 11.285 -2.081 1.00 1.00 H new ATOM 0 HB ILE A 101 15.524 10.429 -0.554 1.00 1.00 H new ATOM 0 HG12 ILE A 101 16.153 9.635 -3.382 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.275 9.076 -2.157 1.00 1.00 H new ATOM 0 HG21 ILE A 101 14.119 11.112 -2.480 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.875 12.525 -1.705 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.531 11.891 -3.233 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.447 7.432 -2.485 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.383 8.115 -0.843 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.244 8.682 -2.088 1.00 1.00 H new ATOM 1525 N ALA A 102 16.750 13.259 0.229 1.00 1.00 N ATOM 1526 CA ALA A 102 16.491 14.657 0.554 1.00 1.00 C ATOM 1527 C ALA A 102 17.768 15.483 0.432 1.00 1.00 C ATOM 1528 O ALA A 102 17.716 16.696 0.226 1.00 1.00 O ATOM 1529 CB ALA A 102 15.943 14.770 1.978 1.00 1.00 C ATOM 0 H ALA A 102 16.658 12.615 1.014 1.00 1.00 H new ATOM 0 HA ALA A 102 15.754 15.042 -0.151 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.752 15.817 2.212 1.00 1.00 H new ATOM 0 HB2 ALA A 102 15.014 14.206 2.056 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.672 14.368 2.681 1.00 1.00 H new ATOM 1535 N LYS A 103 18.912 14.819 0.563 1.00 1.00 N ATOM 1536 CA LYS A 103 20.196 15.506 0.469 1.00 1.00 C ATOM 1537 C LYS A 103 20.554 15.791 -0.987 1.00 1.00 C ATOM 1538 O LYS A 103 20.978 16.896 -1.325 1.00 1.00 O ATOM 1539 CB LYS A 103 21.291 14.650 1.109 1.00 1.00 C ATOM 1540 CG LYS A 103 22.224 15.542 1.932 1.00 1.00 C ATOM 1541 CD LYS A 103 22.848 16.607 1.027 1.00 1.00 C ATOM 1542 CE LYS A 103 24.241 16.966 1.547 1.00 1.00 C ATOM 1543 NZ LYS A 103 24.609 18.331 1.078 1.00 1.00 N ATOM 0 H LYS A 103 18.977 13.815 0.733 1.00 1.00 H new ATOM 0 HA LYS A 103 20.117 16.455 0.999 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.844 13.887 1.747 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.857 14.129 0.337 1.00 1.00 H new ATOM 0 HG2 LYS A 103 21.669 16.018 2.741 1.00 1.00 H new ATOM 0 HG3 LYS A 103 23.006 14.939 2.394 1.00 1.00 H new ATOM 0 HD2 LYS A 103 22.914 16.237 0.004 1.00 1.00 H new ATOM 0 HD3 LYS A 103 22.217 17.495 1.004 1.00 1.00 H new ATOM 0 HE2 LYS A 103 24.255 16.928 2.636 1.00 1.00 H new ATOM 0 HE3 LYS A 103 24.972 16.239 1.193 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 25.556 18.576 1.431 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 24.611 18.352 0.038 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 23.917 19.020 1.437 1.00 1.00 H new ATOM 1557 N GLN A 104 20.387 14.788 -1.843 1.00 1.00 N ATOM 1558 CA GLN A 104 20.703 14.946 -3.259 1.00 1.00 C ATOM 1559 C GLN A 104 19.565 15.650 -3.995 1.00 1.00 C ATOM 1560 O GLN A 104 19.802 16.502 -4.849 1.00 1.00 O ATOM 1561 CB GLN A 104 20.963 13.578 -3.896 1.00 1.00 C ATOM 1562 CG GLN A 104 19.634 12.862 -4.134 1.00 1.00 C ATOM 1563 CD GLN A 104 19.873 11.370 -4.338 1.00 1.00 C ATOM 1564 OE1 GLN A 104 19.864 10.888 -5.470 1.00 1.00 O ATOM 1565 NE2 GLN A 104 20.083 10.605 -3.302 1.00 1.00 N ATOM 0 H GLN A 104 20.038 13.865 -1.585 1.00 1.00 H new ATOM 0 HA GLN A 104 21.601 15.559 -3.341 1.00 1.00 H new ATOM 0 HB2 GLN A 104 21.496 13.700 -4.839 1.00 1.00 H new ATOM 0 HB3 GLN A 104 21.600 12.978 -3.246 1.00 1.00 H new ATOM 0 HG2 GLN A 104 18.970 13.019 -3.284 1.00 1.00 H new ATOM 0 HG3 GLN A 104 19.137 13.282 -5.009 1.00 1.00 H new ATOM 0 HE21 GLN A 104 20.090 11.007 -2.364 1.00 1.00 H new ATOM 0 HE22 GLN A 104 20.240 9.605 -3.430 1.00 1.00 H new