USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=10 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 K(o=0,f=-1.6!) 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= -1.03! K(o=-1!,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0766 K(o=-0.077,f=-2.2!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.36) USER MOD Single : A 74 THR OG1 : rot 91:sc= 1.06 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -161:sc= -2.78 (180deg=-3.04!) USER MOD Single : A 78 LYS NZ :NH3+ -152:sc= -0.121 (180deg=-0.651) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0767 USER MOD Single : A 96 SER OG : rot -82:sc= 0.948 USER MOD Single : A 99 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.11) USER MOD Single : A 103 LYS NZ :NH3+ 165:sc=-0.00362 (180deg=-0.0902) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 8.176 9.814 -15.178 1.00 1.00 N ATOM 47 CA GLU A 4 7.385 9.161 -14.143 1.00 1.00 C ATOM 48 C GLU A 4 5.908 9.507 -14.304 1.00 1.00 C ATOM 49 O GLU A 4 5.033 8.709 -13.967 1.00 1.00 O ATOM 50 CB GLU A 4 7.867 9.603 -12.759 1.00 1.00 C ATOM 51 CG GLU A 4 9.355 9.281 -12.611 1.00 1.00 C ATOM 52 CD GLU A 4 10.189 10.523 -12.909 1.00 1.00 C ATOM 53 OE1 GLU A 4 9.946 11.540 -12.281 1.00 1.00 O ATOM 54 OE2 GLU A 4 11.059 10.438 -13.761 1.00 1.00 O ATOM 0 HA GLU A 4 7.509 8.083 -14.242 1.00 1.00 H new ATOM 0 HB2 GLU A 4 7.701 10.672 -12.628 1.00 1.00 H new ATOM 0 HB3 GLU A 4 7.295 9.094 -11.983 1.00 1.00 H new ATOM 0 HG2 GLU A 4 9.561 8.929 -11.600 1.00 1.00 H new ATOM 0 HG3 GLU A 4 9.631 8.476 -13.292 1.00 1.00 H new ATOM 61 N LEU A 5 5.639 10.702 -14.818 1.00 1.00 N ATOM 62 CA LEU A 5 4.265 11.146 -15.019 1.00 1.00 C ATOM 63 C LEU A 5 3.613 10.365 -16.158 1.00 1.00 C ATOM 64 O LEU A 5 2.398 10.163 -16.166 1.00 1.00 O ATOM 65 CB LEU A 5 4.241 12.641 -15.343 1.00 1.00 C ATOM 66 CG LEU A 5 3.601 13.407 -14.184 1.00 1.00 C ATOM 67 CD1 LEU A 5 3.766 14.910 -14.412 1.00 1.00 C ATOM 68 CD2 LEU A 5 2.111 13.065 -14.106 1.00 1.00 C ATOM 0 H LEU A 5 6.349 11.377 -15.101 1.00 1.00 H new ATOM 0 HA LEU A 5 3.705 10.965 -14.101 1.00 1.00 H new ATOM 0 HB2 LEU A 5 5.255 13.002 -15.515 1.00 1.00 H new ATOM 0 HB3 LEU A 5 3.680 12.815 -16.261 1.00 1.00 H new ATOM 0 HG LEU A 5 4.088 13.125 -13.251 1.00 1.00 H new ATOM 0 HD11 LEU A 5 3.310 15.456 -13.586 1.00 1.00 H new ATOM 0 HD12 LEU A 5 4.827 15.155 -14.467 1.00 1.00 H new ATOM 0 HD13 LEU A 5 3.279 15.192 -15.346 1.00 1.00 H new ATOM 0 HD21 LEU A 5 1.655 13.611 -13.280 1.00 1.00 H new ATOM 0 HD22 LEU A 5 1.624 13.346 -15.040 1.00 1.00 H new ATOM 0 HD23 LEU A 5 1.992 11.994 -13.943 1.00 1.00 H new ATOM 80 N GLN A 6 4.426 9.931 -17.113 1.00 1.00 N ATOM 81 CA GLN A 6 3.917 9.173 -18.251 1.00 1.00 C ATOM 82 C GLN A 6 3.312 7.853 -17.784 1.00 1.00 C ATOM 83 O GLN A 6 2.321 7.382 -18.343 1.00 1.00 O ATOM 84 CB GLN A 6 5.047 8.898 -19.244 1.00 1.00 C ATOM 85 CG GLN A 6 5.586 10.226 -19.781 1.00 1.00 C ATOM 86 CD GLN A 6 6.548 9.972 -20.935 1.00 1.00 C ATOM 87 OE1 GLN A 6 6.717 8.832 -21.367 1.00 1.00 O ATOM 88 NE2 GLN A 6 7.193 10.975 -21.466 1.00 1.00 N ATOM 0 H GLN A 6 5.434 10.089 -17.124 1.00 1.00 H new ATOM 0 HA GLN A 6 3.142 9.762 -18.741 1.00 1.00 H new ATOM 0 HB2 GLN A 6 5.846 8.339 -18.757 1.00 1.00 H new ATOM 0 HB3 GLN A 6 4.682 8.282 -20.066 1.00 1.00 H new ATOM 0 HG2 GLN A 6 4.760 10.853 -20.117 1.00 1.00 H new ATOM 0 HG3 GLN A 6 6.096 10.769 -18.985 1.00 1.00 H new ATOM 0 HE21 GLN A 6 7.052 11.919 -21.107 1.00 1.00 H new ATOM 0 HE22 GLN A 6 7.838 10.814 -22.240 1.00 1.00 H new ATOM 97 N CYS A 7 3.911 7.263 -16.756 1.00 1.00 N ATOM 98 CA CYS A 7 3.420 5.999 -16.221 1.00 1.00 C ATOM 99 C CYS A 7 2.062 6.194 -15.554 1.00 1.00 C ATOM 100 O CYS A 7 1.114 5.458 -15.825 1.00 1.00 O ATOM 101 CB CYS A 7 4.414 5.444 -15.198 1.00 1.00 C ATOM 102 SG CYS A 7 5.812 4.683 -16.061 1.00 1.00 S ATOM 0 H CYS A 7 4.732 7.636 -16.279 1.00 1.00 H new ATOM 0 HA CYS A 7 3.313 5.294 -17.045 1.00 1.00 H new ATOM 0 HB2 CYS A 7 4.767 6.244 -14.548 1.00 1.00 H new ATOM 0 HB3 CYS A 7 3.923 4.709 -14.561 1.00 1.00 H new ATOM 0 HG CYS A 7 6.656 4.214 -15.191 1.00 1.00 H new ATOM 107 N ILE A 8 1.979 7.191 -14.679 1.00 1.00 N ATOM 108 CA ILE A 8 0.738 7.481 -13.973 1.00 1.00 C ATOM 109 C ILE A 8 -0.410 7.697 -14.954 1.00 1.00 C ATOM 110 O ILE A 8 -1.557 7.353 -14.666 1.00 1.00 O ATOM 111 CB ILE A 8 0.910 8.729 -13.105 1.00 1.00 C ATOM 112 CG1 ILE A 8 1.915 8.437 -11.989 1.00 1.00 C ATOM 113 CG2 ILE A 8 -0.436 9.114 -12.493 1.00 1.00 C ATOM 114 CD1 ILE A 8 2.332 9.749 -11.321 1.00 1.00 C ATOM 0 H ILE A 8 2.755 7.810 -14.443 1.00 1.00 H new ATOM 0 HA ILE A 8 0.499 6.626 -13.341 1.00 1.00 H new ATOM 0 HB ILE A 8 1.277 9.552 -13.718 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.472 7.766 -11.253 1.00 1.00 H new ATOM 0 HG13 ILE A 8 2.790 7.930 -12.396 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.313 10.003 -11.875 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.152 9.321 -13.289 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -0.805 8.293 -11.879 1.00 1.00 H new ATOM 0 HD11 ILE A 8 3.048 9.541 -10.526 1.00 1.00 H new ATOM 0 HD12 ILE A 8 2.792 10.404 -12.061 1.00 1.00 H new ATOM 0 HD13 ILE A 8 1.454 10.238 -10.900 1.00 1.00 H new ATOM 126 N ARG A 9 -0.099 8.269 -16.112 1.00 1.00 N ATOM 127 CA ARG A 9 -1.119 8.525 -17.124 1.00 1.00 C ATOM 128 C ARG A 9 -1.792 7.223 -17.548 1.00 1.00 C ATOM 129 O ARG A 9 -3.014 7.158 -17.679 1.00 1.00 O ATOM 130 CB ARG A 9 -0.486 9.191 -18.346 1.00 1.00 C ATOM 131 CG ARG A 9 -0.667 10.708 -18.254 1.00 1.00 C ATOM 132 CD ARG A 9 0.259 11.395 -19.258 1.00 1.00 C ATOM 133 NE ARG A 9 0.658 10.458 -20.302 1.00 1.00 N ATOM 134 CZ ARG A 9 1.428 10.843 -21.315 1.00 1.00 C ATOM 135 NH1 ARG A 9 1.841 12.079 -21.388 1.00 1.00 N ATOM 136 NH2 ARG A 9 1.770 9.985 -22.237 1.00 1.00 N ATOM 0 H ARG A 9 0.843 8.562 -16.373 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.870 9.188 -16.695 1.00 1.00 H new ATOM 0 HB2 ARG A 9 0.574 8.944 -18.400 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -0.948 8.814 -19.259 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -1.704 10.974 -18.459 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -0.444 11.051 -17.244 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -0.247 12.252 -19.703 1.00 1.00 H new ATOM 0 HD3 ARG A 9 1.142 11.777 -18.746 1.00 1.00 H new ATOM 0 HE ARG A 9 0.341 9.490 -20.254 1.00 1.00 H new ATOM 0 HH11 ARG A 9 1.573 12.750 -20.668 1.00 1.00 H new ATOM 0 HH12 ARG A 9 2.432 12.374 -22.165 1.00 1.00 H new ATOM 0 HH21 ARG A 9 1.446 9.019 -22.180 1.00 1.00 H new ATOM 0 HH22 ARG A 9 2.361 10.280 -23.014 1.00 1.00 H new ATOM 150 N GLU A 10 -0.985 6.189 -17.758 1.00 1.00 N ATOM 151 CA GLU A 10 -1.512 4.891 -18.165 1.00 1.00 C ATOM 152 C GLU A 10 -2.237 4.220 -17.003 1.00 1.00 C ATOM 153 O GLU A 10 -3.319 3.658 -17.174 1.00 1.00 O ATOM 154 CB GLU A 10 -0.371 3.993 -18.645 1.00 1.00 C ATOM 155 CG GLU A 10 0.358 4.669 -19.808 1.00 1.00 C ATOM 156 CD GLU A 10 1.646 3.918 -20.124 1.00 1.00 C ATOM 157 OE1 GLU A 10 2.183 3.294 -19.224 1.00 1.00 O ATOM 158 OE2 GLU A 10 2.077 3.977 -21.264 1.00 1.00 O ATOM 0 H GLU A 10 0.029 6.223 -17.654 1.00 1.00 H new ATOM 0 HA GLU A 10 -2.220 5.045 -18.979 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.325 3.803 -17.828 1.00 1.00 H new ATOM 0 HB3 GLU A 10 -0.763 3.026 -18.961 1.00 1.00 H new ATOM 0 HG2 GLU A 10 -0.285 4.690 -20.688 1.00 1.00 H new ATOM 0 HG3 GLU A 10 0.584 5.704 -19.553 1.00 1.00 H new ATOM 165 N CYS A 11 -1.630 4.280 -15.823 1.00 1.00 N ATOM 166 CA CYS A 11 -2.221 3.673 -14.636 1.00 1.00 C ATOM 167 C CYS A 11 -3.668 4.126 -14.463 1.00 1.00 C ATOM 168 O CYS A 11 -4.492 3.400 -13.906 1.00 1.00 O ATOM 169 CB CYS A 11 -1.414 4.057 -13.394 1.00 1.00 C ATOM 170 SG CYS A 11 -1.128 2.585 -12.380 1.00 1.00 S ATOM 0 H CYS A 11 -0.734 4.740 -15.663 1.00 1.00 H new ATOM 0 HA CYS A 11 -2.204 2.590 -14.761 1.00 1.00 H new ATOM 0 HB2 CYS A 11 -0.462 4.499 -13.688 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -1.951 4.810 -12.817 1.00 1.00 H new ATOM 0 HG CYS A 11 -0.440 2.911 -11.326 1.00 1.00 H new ATOM 175 N ARG A 12 -3.971 5.324 -14.949 1.00 1.00 N ATOM 176 CA ARG A 12 -5.326 5.857 -14.848 1.00 1.00 C ATOM 177 C ARG A 12 -6.266 5.105 -15.784 1.00 1.00 C ATOM 178 O ARG A 12 -7.347 4.676 -15.383 1.00 1.00 O ATOM 179 CB ARG A 12 -5.330 7.345 -15.202 1.00 1.00 C ATOM 180 CG ARG A 12 -4.978 8.168 -13.961 1.00 1.00 C ATOM 181 CD ARG A 12 -6.254 8.476 -13.174 1.00 1.00 C ATOM 182 NE ARG A 12 -5.931 8.738 -11.776 1.00 1.00 N ATOM 183 CZ ARG A 12 -6.844 8.598 -10.822 1.00 1.00 C ATOM 184 NH1 ARG A 12 -8.057 8.222 -11.129 1.00 1.00 N ATOM 185 NH2 ARG A 12 -6.532 8.836 -9.577 1.00 1.00 N ATOM 0 H ARG A 12 -3.304 5.941 -15.413 1.00 1.00 H new ATOM 0 HA ARG A 12 -5.673 5.729 -13.823 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -4.611 7.542 -15.997 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -6.310 7.637 -15.579 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -4.275 7.619 -13.335 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -4.486 9.095 -14.254 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -6.758 9.340 -13.607 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -6.945 7.636 -13.244 1.00 1.00 H new ATOM 0 HE ARG A 12 -4.987 9.034 -11.527 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -8.303 8.036 -12.101 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -8.758 8.114 -10.396 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -5.586 9.130 -9.336 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -7.235 8.728 -8.846 1.00 1.00 H new ATOM 199 N LEU A 13 -5.843 4.953 -17.034 1.00 1.00 N ATOM 200 CA LEU A 13 -6.650 4.256 -18.029 1.00 1.00 C ATOM 201 C LEU A 13 -6.698 2.761 -17.728 1.00 1.00 C ATOM 202 O LEU A 13 -7.703 2.099 -17.987 1.00 1.00 O ATOM 203 CB LEU A 13 -6.062 4.477 -19.427 1.00 1.00 C ATOM 204 CG LEU A 13 -6.864 5.549 -20.174 1.00 1.00 C ATOM 205 CD1 LEU A 13 -8.268 5.027 -20.494 1.00 1.00 C ATOM 206 CD2 LEU A 13 -6.974 6.805 -19.304 1.00 1.00 C ATOM 0 H LEU A 13 -4.950 5.301 -17.382 1.00 1.00 H new ATOM 0 HA LEU A 13 -7.663 4.656 -17.992 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -5.019 4.783 -19.347 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -6.078 3.543 -19.988 1.00 1.00 H new ATOM 0 HG LEU A 13 -6.352 5.791 -21.105 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -8.830 5.796 -21.025 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -8.192 4.137 -21.119 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -8.783 4.776 -19.567 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -7.544 7.567 -19.835 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -7.480 6.558 -18.371 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -5.976 7.185 -19.086 1.00 1.00 H new ATOM 218 N ALA A 14 -5.608 2.234 -17.180 1.00 1.00 N ATOM 219 CA ALA A 14 -5.540 0.817 -16.848 1.00 1.00 C ATOM 220 C ALA A 14 -6.688 0.429 -15.920 1.00 1.00 C ATOM 221 O ALA A 14 -7.171 -0.702 -15.954 1.00 1.00 O ATOM 222 CB ALA A 14 -4.206 0.501 -16.172 1.00 1.00 C ATOM 0 H ALA A 14 -4.765 2.764 -16.958 1.00 1.00 H new ATOM 0 HA ALA A 14 -5.623 0.243 -17.771 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -4.164 -0.560 -15.928 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -3.388 0.750 -16.848 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -4.113 1.088 -15.258 1.00 1.00 H new ATOM 228 N GLN A 15 -7.118 1.376 -15.093 1.00 1.00 N ATOM 229 CA GLN A 15 -8.209 1.126 -14.159 1.00 1.00 C ATOM 230 C GLN A 15 -9.509 0.868 -14.913 1.00 1.00 C ATOM 231 O GLN A 15 -10.270 -0.037 -14.568 1.00 1.00 O ATOM 232 CB GLN A 15 -8.385 2.325 -13.227 1.00 1.00 C ATOM 233 CG GLN A 15 -8.463 1.840 -11.778 1.00 1.00 C ATOM 234 CD GLN A 15 -8.772 3.011 -10.852 1.00 1.00 C ATOM 235 OE1 GLN A 15 -9.102 2.809 -9.684 1.00 1.00 O ATOM 236 NE2 GLN A 15 -8.683 4.231 -11.306 1.00 1.00 N ATOM 0 H GLN A 15 -6.730 2.318 -15.050 1.00 1.00 H new ATOM 0 HA GLN A 15 -7.963 0.243 -13.569 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -7.551 3.016 -13.346 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -9.291 2.871 -13.488 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -9.235 1.077 -11.682 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -7.519 1.377 -11.490 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -8.409 4.396 -12.275 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -8.887 5.020 -10.692 1.00 1.00 H new ATOM 598 N ALA A 45 6.648 -10.254 -5.602 1.00 1.00 N ATOM 599 CA ALA A 45 8.011 -10.580 -5.195 1.00 1.00 C ATOM 600 C ALA A 45 8.687 -9.372 -4.554 1.00 1.00 C ATOM 601 O ALA A 45 9.418 -9.510 -3.573 1.00 1.00 O ATOM 602 CB ALA A 45 8.823 -11.036 -6.408 1.00 1.00 C ATOM 0 HA ALA A 45 7.966 -11.386 -4.462 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.839 -11.277 -6.096 1.00 1.00 H new ATOM 0 HB2 ALA A 45 8.358 -11.920 -6.846 1.00 1.00 H new ATOM 0 HB3 ALA A 45 8.851 -10.237 -7.148 1.00 1.00 H new ATOM 608 N ILE A 46 8.441 -8.192 -5.112 1.00 1.00 N ATOM 609 CA ILE A 46 9.037 -6.970 -4.581 1.00 1.00 C ATOM 610 C ILE A 46 8.242 -6.466 -3.380 1.00 1.00 C ATOM 611 O ILE A 46 8.773 -5.763 -2.522 1.00 1.00 O ATOM 612 CB ILE A 46 9.077 -5.892 -5.666 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.685 -5.727 -6.277 1.00 1.00 C ATOM 614 CG2 ILE A 46 10.065 -6.300 -6.761 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.678 -4.515 -7.211 1.00 1.00 C ATOM 0 H ILE A 46 7.839 -8.055 -5.924 1.00 1.00 H new ATOM 0 HA ILE A 46 10.054 -7.193 -4.259 1.00 1.00 H new ATOM 0 HB ILE A 46 9.395 -4.949 -5.222 1.00 1.00 H new ATOM 0 HG12 ILE A 46 7.409 -6.626 -6.828 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.943 -5.596 -5.489 1.00 1.00 H new ATOM 0 HG21 ILE A 46 10.091 -5.530 -7.532 1.00 1.00 H new ATOM 0 HG22 ILE A 46 11.059 -6.415 -6.329 1.00 1.00 H new ATOM 0 HG23 ILE A 46 9.749 -7.245 -7.202 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.686 -4.397 -7.647 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.935 -3.619 -6.646 1.00 1.00 H new ATOM 0 HD13 ILE A 46 8.408 -4.664 -8.006 1.00 1.00 H new ATOM 627 N ALA A 47 6.968 -6.831 -3.323 1.00 1.00 N ATOM 628 CA ALA A 47 6.116 -6.412 -2.216 1.00 1.00 C ATOM 629 C ALA A 47 6.595 -7.034 -0.905 1.00 1.00 C ATOM 630 O ALA A 47 6.331 -6.507 0.175 1.00 1.00 O ATOM 631 CB ALA A 47 4.669 -6.830 -2.482 1.00 1.00 C ATOM 0 H ALA A 47 6.504 -7.411 -4.023 1.00 1.00 H new ATOM 0 HA ALA A 47 6.170 -5.327 -2.132 1.00 1.00 H new ATOM 0 HB1 ALA A 47 4.040 -6.513 -1.650 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.318 -6.361 -3.401 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.616 -7.914 -2.584 1.00 1.00 H new ATOM 637 N ASN A 48 7.299 -8.157 -1.013 1.00 1.00 N ATOM 638 CA ASN A 48 7.810 -8.847 0.166 1.00 1.00 C ATOM 639 C ASN A 48 9.134 -8.240 0.603 1.00 1.00 C ATOM 640 O ASN A 48 9.525 -8.337 1.766 1.00 1.00 O ATOM 641 CB ASN A 48 7.997 -10.334 -0.139 1.00 1.00 C ATOM 642 CG ASN A 48 6.641 -11.031 -0.166 1.00 1.00 C ATOM 643 OD1 ASN A 48 5.638 -10.419 -0.533 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.547 -12.277 0.210 1.00 1.00 N ATOM 0 H ASN A 48 7.527 -8.606 -1.900 1.00 1.00 H new ATOM 0 HA ASN A 48 7.088 -8.735 0.975 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.499 -10.457 -1.099 1.00 1.00 H new ATOM 0 HB3 ASN A 48 8.636 -10.792 0.616 1.00 1.00 H new ATOM 0 HD21 ASN A 48 5.641 -12.746 0.200 1.00 1.00 H new ATOM 0 HD22 ASN A 48 7.379 -12.782 0.514 1.00 1.00 H new ATOM 651 N PHE A 49 9.820 -7.617 -0.346 1.00 1.00 N ATOM 652 CA PHE A 49 11.105 -6.993 -0.066 1.00 1.00 C ATOM 653 C PHE A 49 10.933 -5.787 0.853 1.00 1.00 C ATOM 654 O PHE A 49 11.876 -5.027 1.077 1.00 1.00 O ATOM 655 CB PHE A 49 11.754 -6.559 -1.378 1.00 1.00 C ATOM 656 CG PHE A 49 12.630 -7.672 -1.900 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.083 -8.942 -2.121 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.983 -7.437 -2.170 1.00 1.00 C ATOM 659 CE1 PHE A 49 12.890 -9.975 -2.610 1.00 1.00 C ATOM 660 CE2 PHE A 49 14.790 -8.471 -2.661 1.00 1.00 C ATOM 661 CZ PHE A 49 14.243 -9.740 -2.880 1.00 1.00 C ATOM 0 H PHE A 49 9.509 -7.531 -1.314 1.00 1.00 H new ATOM 0 HA PHE A 49 11.745 -7.717 0.438 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.986 -6.312 -2.111 1.00 1.00 H new ATOM 0 HB3 PHE A 49 12.347 -5.658 -1.222 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.039 -9.124 -1.914 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.405 -6.458 -2.000 1.00 1.00 H new ATOM 0 HE1 PHE A 49 12.468 -10.955 -2.779 1.00 1.00 H new ATOM 0 HE2 PHE A 49 15.834 -8.289 -2.870 1.00 1.00 H new ATOM 0 HZ PHE A 49 14.865 -10.538 -3.257 1.00 1.00 H new ATOM 671 N LEU A 50 9.728 -5.626 1.390 1.00 1.00 N ATOM 672 CA LEU A 50 9.437 -4.518 2.295 1.00 1.00 C ATOM 673 C LEU A 50 8.742 -5.046 3.550 1.00 1.00 C ATOM 674 O LEU A 50 7.574 -5.432 3.507 1.00 1.00 O ATOM 675 CB LEU A 50 8.528 -3.493 1.600 1.00 1.00 C ATOM 676 CG LEU A 50 9.327 -2.668 0.575 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.705 -2.836 -0.811 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.284 -1.186 0.965 1.00 1.00 C ATOM 0 H LEU A 50 8.938 -6.247 1.215 1.00 1.00 H new ATOM 0 HA LEU A 50 10.374 -4.035 2.573 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.707 -4.007 1.101 1.00 1.00 H new ATOM 0 HB3 LEU A 50 8.084 -2.830 2.343 1.00 1.00 H new ATOM 0 HG LEU A 50 10.360 -3.015 0.560 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.271 -2.252 -1.537 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.728 -3.888 -1.095 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.672 -2.488 -0.791 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.850 -0.602 0.239 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.249 -0.843 0.979 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.722 -1.057 1.955 1.00 1.00 H new ATOM 690 N GLU A 51 9.471 -5.069 4.662 1.00 1.00 N ATOM 691 CA GLU A 51 8.919 -5.564 5.922 1.00 1.00 C ATOM 692 C GLU A 51 7.518 -4.990 6.161 1.00 1.00 C ATOM 693 O GLU A 51 7.205 -3.898 5.685 1.00 1.00 O ATOM 694 CB GLU A 51 9.844 -5.173 7.078 1.00 1.00 C ATOM 695 CG GLU A 51 10.968 -6.202 7.205 1.00 1.00 C ATOM 696 CD GLU A 51 10.456 -7.451 7.914 1.00 1.00 C ATOM 697 OE1 GLU A 51 9.890 -8.299 7.244 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.639 -7.543 9.118 1.00 1.00 O ATOM 0 H GLU A 51 10.439 -4.753 4.718 1.00 1.00 H new ATOM 0 HA GLU A 51 8.843 -6.650 5.867 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.263 -4.182 6.903 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.278 -5.121 8.008 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.345 -6.464 6.217 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.802 -5.774 7.761 1.00 1.00 H new ATOM 705 N PRO A 52 6.670 -5.697 6.878 1.00 1.00 N ATOM 706 CA PRO A 52 5.278 -5.234 7.168 1.00 1.00 C ATOM 707 C PRO A 52 5.243 -3.934 7.971 1.00 1.00 C ATOM 708 O PRO A 52 4.601 -2.964 7.571 1.00 1.00 O ATOM 709 CB PRO A 52 4.652 -6.384 7.967 1.00 1.00 C ATOM 710 CG PRO A 52 5.797 -7.186 8.487 1.00 1.00 C ATOM 711 CD PRO A 52 6.941 -7.007 7.494 1.00 1.00 C ATOM 0 HA PRO A 52 4.739 -5.009 6.248 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.038 -6.004 8.783 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.003 -6.991 7.336 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.089 -6.845 9.480 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.524 -8.237 8.578 1.00 1.00 H new ATOM 0 HD2 PRO A 52 7.910 -7.022 7.993 1.00 1.00 H new ATOM 0 HD3 PRO A 52 6.954 -7.804 6.750 1.00 1.00 H new ATOM 719 N GLN A 53 5.936 -3.922 9.106 1.00 1.00 N ATOM 720 CA GLN A 53 5.967 -2.730 9.946 1.00 1.00 C ATOM 721 C GLN A 53 6.566 -1.564 9.170 1.00 1.00 C ATOM 722 O GLN A 53 6.017 -0.463 9.155 1.00 1.00 O ATOM 723 CB GLN A 53 6.800 -2.996 11.202 1.00 1.00 C ATOM 724 CG GLN A 53 6.329 -2.075 12.331 1.00 1.00 C ATOM 725 CD GLN A 53 7.474 -1.821 13.306 1.00 1.00 C ATOM 726 OE1 GLN A 53 7.961 -0.695 13.412 1.00 1.00 O ATOM 727 NE2 GLN A 53 7.933 -2.806 14.029 1.00 1.00 N ATOM 0 H GLN A 53 6.476 -4.711 9.461 1.00 1.00 H new ATOM 0 HA GLN A 53 4.948 -2.479 10.240 1.00 1.00 H new ATOM 0 HB2 GLN A 53 6.700 -4.039 11.503 1.00 1.00 H new ATOM 0 HB3 GLN A 53 7.856 -2.824 10.994 1.00 1.00 H new ATOM 0 HG2 GLN A 53 5.975 -1.130 11.918 1.00 1.00 H new ATOM 0 HG3 GLN A 53 5.488 -2.529 12.855 1.00 1.00 H new ATOM 0 HE21 GLN A 53 7.527 -3.737 13.939 1.00 1.00 H new ATOM 0 HE22 GLN A 53 8.698 -2.644 14.685 1.00 1.00 H new ATOM 736 N ALA A 54 7.690 -1.822 8.515 1.00 1.00 N ATOM 737 CA ALA A 54 8.356 -0.797 7.724 1.00 1.00 C ATOM 738 C ALA A 54 7.440 -0.317 6.611 1.00 1.00 C ATOM 739 O ALA A 54 7.527 0.829 6.169 1.00 1.00 O ATOM 740 CB ALA A 54 9.640 -1.356 7.114 1.00 1.00 C ATOM 0 H ALA A 54 8.158 -2.728 8.516 1.00 1.00 H new ATOM 0 HA ALA A 54 8.600 0.040 8.378 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.130 -0.581 6.524 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.308 -1.684 7.910 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.399 -2.203 6.471 1.00 1.00 H new ATOM 746 N LEU A 55 6.564 -1.204 6.161 1.00 1.00 N ATOM 747 CA LEU A 55 5.636 -0.858 5.090 1.00 1.00 C ATOM 748 C LEU A 55 4.769 0.322 5.512 1.00 1.00 C ATOM 749 O LEU A 55 4.429 1.182 4.699 1.00 1.00 O ATOM 750 CB LEU A 55 4.748 -2.057 4.748 1.00 1.00 C ATOM 751 CG LEU A 55 4.797 -2.316 3.239 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.906 -3.511 2.893 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.295 -1.077 2.492 1.00 1.00 C ATOM 0 H LEU A 55 6.475 -2.157 6.514 1.00 1.00 H new ATOM 0 HA LEU A 55 6.211 -0.582 4.206 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.086 -2.940 5.290 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.722 -1.864 5.061 1.00 1.00 H new ATOM 0 HG LEU A 55 5.824 -2.531 2.943 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.943 -3.693 1.819 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.261 -4.395 3.423 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.879 -3.297 3.190 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.330 -1.261 1.418 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.269 -0.863 2.791 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.929 -0.224 2.735 1.00 1.00 H new ATOM 765 N GLU A 56 4.423 0.360 6.793 1.00 1.00 N ATOM 766 CA GLU A 56 3.607 1.442 7.322 1.00 1.00 C ATOM 767 C GLU A 56 4.399 2.747 7.338 1.00 1.00 C ATOM 768 O GLU A 56 3.845 3.824 7.117 1.00 1.00 O ATOM 769 CB GLU A 56 3.145 1.104 8.741 1.00 1.00 C ATOM 770 CG GLU A 56 1.634 0.859 8.746 1.00 1.00 C ATOM 771 CD GLU A 56 1.286 -0.288 7.803 1.00 1.00 C ATOM 772 OE1 GLU A 56 2.192 -1.010 7.420 1.00 1.00 O ATOM 773 OE2 GLU A 56 0.120 -0.423 7.471 1.00 1.00 O ATOM 0 H GLU A 56 4.694 -0.343 7.481 1.00 1.00 H new ATOM 0 HA GLU A 56 2.736 1.565 6.679 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.668 0.219 9.103 1.00 1.00 H new ATOM 0 HB3 GLU A 56 3.393 1.921 9.419 1.00 1.00 H new ATOM 0 HG2 GLU A 56 1.299 0.624 9.756 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.110 1.764 8.439 1.00 1.00 H new ATOM 780 N ARG A 57 5.697 2.644 7.611 1.00 1.00 N ATOM 781 CA ARG A 57 6.552 3.820 7.664 1.00 1.00 C ATOM 782 C ARG A 57 6.537 4.572 6.335 1.00 1.00 C ATOM 783 O ARG A 57 6.235 5.764 6.295 1.00 1.00 O ATOM 784 CB ARG A 57 7.987 3.404 7.993 1.00 1.00 C ATOM 785 CG ARG A 57 8.453 4.132 9.255 1.00 1.00 C ATOM 786 CD ARG A 57 8.449 5.642 9.009 1.00 1.00 C ATOM 787 NE ARG A 57 7.526 6.296 9.931 1.00 1.00 N ATOM 788 CZ ARG A 57 7.315 7.607 9.882 1.00 1.00 C ATOM 789 NH1 ARG A 57 7.948 8.338 9.005 1.00 1.00 N ATOM 790 NH2 ARG A 57 6.474 8.164 10.709 1.00 1.00 N ATOM 0 H ARG A 57 6.175 1.762 7.798 1.00 1.00 H new ATOM 0 HA ARG A 57 6.169 4.481 8.442 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.039 2.326 8.142 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.646 3.642 7.158 1.00 1.00 H new ATOM 0 HG2 ARG A 57 7.797 3.888 10.091 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.455 3.801 9.529 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.454 6.043 9.142 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.156 5.850 7.980 1.00 1.00 H new ATOM 0 HE ARG A 57 7.033 5.736 10.627 1.00 1.00 H new ATOM 0 HH11 ARG A 57 8.605 7.903 8.357 1.00 1.00 H new ATOM 0 HH12 ARG A 57 7.786 9.344 8.968 1.00 1.00 H new ATOM 0 HH21 ARG A 57 5.978 7.593 11.394 1.00 1.00 H new ATOM 0 HH22 ARG A 57 6.312 9.170 10.671 1.00 1.00 H new ATOM 804 N LEU A 58 6.871 3.875 5.253 1.00 1.00 N ATOM 805 CA LEU A 58 6.892 4.510 3.939 1.00 1.00 C ATOM 806 C LEU A 58 5.512 5.081 3.616 1.00 1.00 C ATOM 807 O LEU A 58 5.387 6.111 2.956 1.00 1.00 O ATOM 808 CB LEU A 58 7.312 3.495 2.867 1.00 1.00 C ATOM 809 CG LEU A 58 7.327 4.156 1.480 1.00 1.00 C ATOM 810 CD1 LEU A 58 8.265 5.365 1.480 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.821 3.146 0.440 1.00 1.00 C ATOM 0 H LEU A 58 7.127 2.888 5.258 1.00 1.00 H new ATOM 0 HA LEU A 58 7.617 5.324 3.950 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.301 3.100 3.099 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.623 2.650 2.867 1.00 1.00 H new ATOM 0 HG LEU A 58 6.316 4.483 1.236 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.267 5.824 0.491 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.922 6.091 2.217 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.275 5.042 1.731 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.832 3.614 -0.545 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.829 2.821 0.699 1.00 1.00 H new ATOM 0 HD23 LEU A 58 7.154 2.284 0.425 1.00 1.00 H new ATOM 823 N SER A 59 4.474 4.409 4.094 1.00 1.00 N ATOM 824 CA SER A 59 3.113 4.875 3.870 1.00 1.00 C ATOM 825 C SER A 59 2.874 6.187 4.619 1.00 1.00 C ATOM 826 O SER A 59 2.157 7.068 4.144 1.00 1.00 O ATOM 827 CB SER A 59 2.113 3.822 4.348 1.00 1.00 C ATOM 828 OG SER A 59 1.203 3.528 3.298 1.00 1.00 O ATOM 0 H SER A 59 4.547 3.547 4.635 1.00 1.00 H new ATOM 0 HA SER A 59 2.974 5.044 2.802 1.00 1.00 H new ATOM 0 HB2 SER A 59 2.638 2.917 4.653 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.573 4.187 5.221 1.00 1.00 H new ATOM 0 HG SER A 59 0.562 2.852 3.601 1.00 1.00 H new ATOM 834 N ARG A 60 3.464 6.289 5.810 1.00 1.00 N ATOM 835 CA ARG A 60 3.303 7.470 6.658 1.00 1.00 C ATOM 836 C ARG A 60 3.953 8.718 6.056 1.00 1.00 C ATOM 837 O ARG A 60 3.355 9.793 6.055 1.00 1.00 O ATOM 838 CB ARG A 60 3.922 7.202 8.030 1.00 1.00 C ATOM 839 CG ARG A 60 3.290 8.133 9.068 1.00 1.00 C ATOM 840 CD ARG A 60 2.124 7.419 9.752 1.00 1.00 C ATOM 841 NE ARG A 60 1.430 8.335 10.651 1.00 1.00 N ATOM 842 CZ ARG A 60 0.438 7.915 11.431 1.00 1.00 C ATOM 843 NH1 ARG A 60 0.071 6.663 11.402 1.00 1.00 N ATOM 844 NH2 ARG A 60 -0.167 8.754 12.225 1.00 1.00 N ATOM 0 H ARG A 60 4.060 5.565 6.211 1.00 1.00 H new ATOM 0 HA ARG A 60 2.233 7.660 6.744 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.764 6.162 8.315 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.000 7.361 7.992 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.034 8.428 9.808 1.00 1.00 H new ATOM 0 HG3 ARG A 60 2.939 9.046 8.587 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.430 7.039 9.002 1.00 1.00 H new ATOM 0 HD3 ARG A 60 2.492 6.559 10.311 1.00 1.00 H new ATOM 0 HE ARG A 60 1.711 9.315 10.682 1.00 1.00 H new ATOM 0 HH11 ARG A 60 0.545 6.007 10.781 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -0.690 6.341 12.000 1.00 1.00 H new ATOM 0 HH21 ARG A 60 0.121 9.732 12.248 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -0.928 8.432 12.823 1.00 1.00 H new ATOM 858 N VAL A 61 5.181 8.580 5.566 1.00 1.00 N ATOM 859 CA VAL A 61 5.887 9.723 4.990 1.00 1.00 C ATOM 860 C VAL A 61 5.234 10.165 3.683 1.00 1.00 C ATOM 861 O VAL A 61 5.104 11.359 3.418 1.00 1.00 O ATOM 862 CB VAL A 61 7.354 9.362 4.748 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.430 8.168 3.814 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.083 10.553 4.119 1.00 1.00 C ATOM 0 H VAL A 61 5.703 7.704 5.555 1.00 1.00 H new ATOM 0 HA VAL A 61 5.832 10.552 5.696 1.00 1.00 H new ATOM 0 HB VAL A 61 7.828 9.114 5.698 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.474 7.908 3.640 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.916 7.320 4.265 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.955 8.417 2.865 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.127 10.292 3.948 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.613 10.807 3.169 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.029 11.409 4.791 1.00 1.00 H new ATOM 874 N ALA A 62 4.832 9.196 2.865 1.00 1.00 N ATOM 875 CA ALA A 62 4.198 9.504 1.587 1.00 1.00 C ATOM 876 C ALA A 62 3.076 10.523 1.771 1.00 1.00 C ATOM 877 O ALA A 62 2.882 11.403 0.933 1.00 1.00 O ATOM 878 CB ALA A 62 3.631 8.226 0.965 1.00 1.00 C ATOM 0 H ALA A 62 4.933 8.200 3.062 1.00 1.00 H new ATOM 0 HA ALA A 62 4.952 9.930 0.925 1.00 1.00 H new ATOM 0 HB1 ALA A 62 3.159 8.464 0.011 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.438 7.511 0.803 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.891 7.791 1.637 1.00 1.00 H new ATOM 884 N LEU A 63 2.338 10.397 2.869 1.00 1.00 N ATOM 885 CA LEU A 63 1.236 11.314 3.146 1.00 1.00 C ATOM 886 C LEU A 63 1.741 12.748 3.256 1.00 1.00 C ATOM 887 O LEU A 63 0.966 13.697 3.144 1.00 1.00 O ATOM 888 CB LEU A 63 0.546 10.923 4.453 1.00 1.00 C ATOM 889 CG LEU A 63 -0.351 9.708 4.214 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.473 8.898 5.506 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.742 10.180 3.778 1.00 1.00 C ATOM 0 H LEU A 63 2.480 9.676 3.576 1.00 1.00 H new ATOM 0 HA LEU A 63 0.526 11.250 2.321 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.291 10.694 5.215 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -0.047 11.758 4.827 1.00 1.00 H new ATOM 0 HG LEU A 63 0.085 9.084 3.434 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.113 8.032 5.334 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.515 8.562 5.820 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -0.909 9.522 6.287 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.383 9.315 3.607 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.176 10.804 4.559 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.658 10.757 2.857 1.00 1.00 H new ATOM 903 N VAL A 64 3.043 12.896 3.485 1.00 1.00 N ATOM 904 CA VAL A 64 3.641 14.219 3.620 1.00 1.00 C ATOM 905 C VAL A 64 4.461 14.578 2.383 1.00 1.00 C ATOM 906 O VAL A 64 4.308 15.665 1.829 1.00 1.00 O ATOM 907 CB VAL A 64 4.530 14.266 4.863 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.408 15.641 5.520 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.075 13.195 5.858 1.00 1.00 C ATOM 0 H VAL A 64 3.700 12.121 3.580 1.00 1.00 H new ATOM 0 HA VAL A 64 2.837 14.947 3.722 1.00 1.00 H new ATOM 0 HB VAL A 64 5.565 14.083 4.575 1.00 1.00 H new ATOM 0 HG11 VAL A 64 5.041 15.678 6.407 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.725 16.410 4.816 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.371 15.817 5.807 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.709 13.229 6.744 1.00 1.00 H new ATOM 0 HG22 VAL A 64 3.040 13.381 6.145 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.152 12.212 5.394 1.00 1.00 H new ATOM 919 N ARG A 65 5.316 13.655 1.945 1.00 1.00 N ATOM 920 CA ARG A 65 6.139 13.894 0.759 1.00 1.00 C ATOM 921 C ARG A 65 6.170 12.652 -0.130 1.00 1.00 C ATOM 922 O ARG A 65 7.086 11.835 -0.061 1.00 1.00 O ATOM 923 CB ARG A 65 7.572 14.281 1.153 1.00 1.00 C ATOM 924 CG ARG A 65 7.845 15.747 0.790 1.00 1.00 C ATOM 925 CD ARG A 65 6.943 16.675 1.604 1.00 1.00 C ATOM 926 NE ARG A 65 5.856 17.175 0.768 1.00 1.00 N ATOM 927 CZ ARG A 65 5.180 18.271 1.100 1.00 1.00 C ATOM 928 NH1 ARG A 65 5.480 18.919 2.193 1.00 1.00 N ATOM 929 NH2 ARG A 65 4.216 18.699 0.331 1.00 1.00 N ATOM 0 H ARG A 65 5.457 12.746 2.386 1.00 1.00 H new ATOM 0 HA ARG A 65 5.693 14.720 0.206 1.00 1.00 H new ATOM 0 HB2 ARG A 65 7.716 14.131 2.223 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.285 13.634 0.642 1.00 1.00 H new ATOM 0 HG2 ARG A 65 8.891 15.987 0.981 1.00 1.00 H new ATOM 0 HG3 ARG A 65 7.672 15.903 -0.275 1.00 1.00 H new ATOM 0 HD2 ARG A 65 6.536 16.140 2.462 1.00 1.00 H new ATOM 0 HD3 ARG A 65 7.525 17.509 1.996 1.00 1.00 H new ATOM 0 HE ARG A 65 5.610 16.675 -0.086 1.00 1.00 H new ATOM 0 HH11 ARG A 65 6.234 18.585 2.793 1.00 1.00 H new ATOM 0 HH12 ARG A 65 4.961 19.760 2.446 1.00 1.00 H new ATOM 0 HH21 ARG A 65 3.982 18.193 -0.523 1.00 1.00 H new ATOM 0 HH22 ARG A 65 3.697 19.539 0.584 1.00 1.00 H new ATOM 943 N ARG A 66 5.163 12.526 -0.974 1.00 1.00 N ATOM 944 CA ARG A 66 5.082 11.399 -1.892 1.00 1.00 C ATOM 945 C ARG A 66 6.291 11.388 -2.824 1.00 1.00 C ATOM 946 O ARG A 66 6.718 10.334 -3.298 1.00 1.00 O ATOM 947 CB ARG A 66 3.795 11.480 -2.713 1.00 1.00 C ATOM 948 CG ARG A 66 3.375 10.070 -3.137 1.00 1.00 C ATOM 949 CD ARG A 66 2.209 10.156 -4.121 1.00 1.00 C ATOM 950 NE ARG A 66 1.454 8.908 -4.115 1.00 1.00 N ATOM 951 CZ ARG A 66 0.499 8.684 -3.218 1.00 1.00 C ATOM 952 NH1 ARG A 66 0.206 9.598 -2.335 1.00 1.00 N ATOM 953 NH2 ARG A 66 -0.148 7.550 -3.223 1.00 1.00 N ATOM 0 H ARG A 66 4.390 13.187 -1.045 1.00 1.00 H new ATOM 0 HA ARG A 66 5.076 10.477 -1.311 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.004 11.946 -2.125 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.950 12.105 -3.592 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.216 9.553 -3.599 1.00 1.00 H new ATOM 0 HG3 ARG A 66 3.084 9.488 -2.263 1.00 1.00 H new ATOM 0 HD2 ARG A 66 1.556 10.986 -3.851 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.584 10.358 -5.124 1.00 1.00 H new ATOM 0 HE ARG A 66 1.663 8.194 -4.812 1.00 1.00 H new ATOM 0 HH11 ARG A 66 0.710 10.485 -2.333 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -0.527 9.426 -1.647 1.00 1.00 H new ATOM 0 HH21 ARG A 66 0.079 6.836 -3.915 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -0.881 7.378 -2.535 1.00 1.00 H new ATOM 967 N ASP A 67 6.819 12.577 -3.100 1.00 1.00 N ATOM 968 CA ASP A 67 7.962 12.714 -4.000 1.00 1.00 C ATOM 969 C ASP A 67 9.165 11.907 -3.517 1.00 1.00 C ATOM 970 O ASP A 67 9.801 11.200 -4.300 1.00 1.00 O ATOM 971 CB ASP A 67 8.355 14.188 -4.113 1.00 1.00 C ATOM 972 CG ASP A 67 8.114 14.684 -5.534 1.00 1.00 C ATOM 973 OD1 ASP A 67 7.020 14.487 -6.034 1.00 1.00 O ATOM 974 OD2 ASP A 67 9.031 15.253 -6.105 1.00 1.00 O ATOM 0 H ASP A 67 6.476 13.457 -2.715 1.00 1.00 H new ATOM 0 HA ASP A 67 7.664 12.327 -4.974 1.00 1.00 H new ATOM 0 HB2 ASP A 67 7.774 14.783 -3.408 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.405 14.314 -3.848 1.00 1.00 H new ATOM 979 N ARG A 68 9.480 12.017 -2.231 1.00 1.00 N ATOM 980 CA ARG A 68 10.619 11.293 -1.679 1.00 1.00 C ATOM 981 C ARG A 68 10.321 9.798 -1.611 1.00 1.00 C ATOM 982 O ARG A 68 11.201 8.968 -1.836 1.00 1.00 O ATOM 983 CB ARG A 68 10.961 11.847 -0.289 1.00 1.00 C ATOM 984 CG ARG A 68 10.206 11.080 0.801 1.00 1.00 C ATOM 985 CD ARG A 68 10.264 11.857 2.119 1.00 1.00 C ATOM 986 NE ARG A 68 11.270 12.912 2.057 1.00 1.00 N ATOM 987 CZ ARG A 68 11.155 14.012 2.794 1.00 1.00 C ATOM 988 NH1 ARG A 68 10.140 14.153 3.603 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.056 14.951 2.709 1.00 1.00 N ATOM 0 H ARG A 68 8.971 12.592 -1.560 1.00 1.00 H new ATOM 0 HA ARG A 68 11.480 11.433 -2.332 1.00 1.00 H new ATOM 0 HB2 ARG A 68 12.035 11.772 -0.116 1.00 1.00 H new ATOM 0 HB3 ARG A 68 10.704 12.905 -0.240 1.00 1.00 H new ATOM 0 HG2 ARG A 68 9.169 10.932 0.501 1.00 1.00 H new ATOM 0 HG3 ARG A 68 10.645 10.091 0.932 1.00 1.00 H new ATOM 0 HD2 ARG A 68 9.288 12.292 2.333 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.496 11.176 2.938 1.00 1.00 H new ATOM 0 HE ARG A 68 12.074 12.804 1.439 1.00 1.00 H new ATOM 0 HH11 ARG A 68 9.435 13.419 3.670 1.00 1.00 H new ATOM 0 HH12 ARG A 68 10.052 14.997 4.169 1.00 1.00 H new ATOM 0 HH21 ARG A 68 12.849 14.841 2.077 1.00 1.00 H new ATOM 0 HH22 ARG A 68 11.968 15.795 3.275 1.00 1.00 H new ATOM 1003 N ALA A 69 9.075 9.464 -1.303 1.00 1.00 N ATOM 1004 CA ALA A 69 8.662 8.069 -1.210 1.00 1.00 C ATOM 1005 C ALA A 69 8.801 7.379 -2.560 1.00 1.00 C ATOM 1006 O ALA A 69 9.032 6.171 -2.631 1.00 1.00 O ATOM 1007 CB ALA A 69 7.204 7.989 -0.758 1.00 1.00 C ATOM 0 H ALA A 69 8.333 10.138 -1.113 1.00 1.00 H new ATOM 0 HA ALA A 69 9.304 7.569 -0.485 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.901 6.944 -0.690 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.099 8.461 0.219 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.570 8.505 -1.480 1.00 1.00 H new ATOM 1013 N GLN A 70 8.645 8.151 -3.627 1.00 1.00 N ATOM 1014 CA GLN A 70 8.741 7.604 -4.972 1.00 1.00 C ATOM 1015 C GLN A 70 10.182 7.231 -5.304 1.00 1.00 C ATOM 1016 O GLN A 70 10.434 6.250 -6.003 1.00 1.00 O ATOM 1017 CB GLN A 70 8.228 8.631 -5.987 1.00 1.00 C ATOM 1018 CG GLN A 70 7.896 7.933 -7.306 1.00 1.00 C ATOM 1019 CD GLN A 70 8.460 8.734 -8.476 1.00 1.00 C ATOM 1020 OE1 GLN A 70 7.731 9.070 -9.409 1.00 1.00 O ATOM 1021 NE2 GLN A 70 9.723 9.060 -8.481 1.00 1.00 N ATOM 0 H GLN A 70 8.453 9.152 -3.587 1.00 1.00 H new ATOM 0 HA GLN A 70 8.129 6.703 -5.022 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.342 9.131 -5.596 1.00 1.00 H new ATOM 0 HB3 GLN A 70 8.982 9.401 -6.152 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.313 6.926 -7.309 1.00 1.00 H new ATOM 0 HG3 GLN A 70 6.816 7.831 -7.411 1.00 1.00 H new ATOM 0 HE21 GLN A 70 10.325 8.780 -7.707 1.00 1.00 H new ATOM 0 HE22 GLN A 70 10.109 9.595 -9.259 1.00 1.00 H new ATOM 1030 N ALA A 71 11.127 8.021 -4.802 1.00 1.00 N ATOM 1031 CA ALA A 71 12.539 7.763 -5.058 1.00 1.00 C ATOM 1032 C ALA A 71 13.010 6.521 -4.301 1.00 1.00 C ATOM 1033 O ALA A 71 13.817 5.744 -4.810 1.00 1.00 O ATOM 1034 CB ALA A 71 13.375 8.973 -4.640 1.00 1.00 C ATOM 0 H ALA A 71 10.942 8.838 -4.220 1.00 1.00 H new ATOM 0 HA ALA A 71 12.667 7.587 -6.126 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.429 8.772 -4.835 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.061 9.847 -5.211 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.232 9.164 -3.576 1.00 1.00 H new ATOM 1040 N VAL A 72 12.500 6.338 -3.085 1.00 1.00 N ATOM 1041 CA VAL A 72 12.876 5.179 -2.277 1.00 1.00 C ATOM 1042 C VAL A 72 12.482 3.893 -2.990 1.00 1.00 C ATOM 1043 O VAL A 72 13.271 2.951 -3.095 1.00 1.00 O ATOM 1044 CB VAL A 72 12.175 5.238 -0.919 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.554 4.007 -0.095 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.608 6.503 -0.174 1.00 1.00 C ATOM 0 H VAL A 72 11.833 6.969 -2.641 1.00 1.00 H new ATOM 0 HA VAL A 72 13.956 5.194 -2.129 1.00 1.00 H new ATOM 0 HB VAL A 72 11.096 5.257 -1.069 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.054 4.049 0.873 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.245 3.106 -0.624 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.634 3.988 0.055 1.00 1.00 H new ATOM 0 HG21 VAL A 72 12.108 6.544 0.794 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.688 6.486 -0.024 1.00 1.00 H new ATOM 0 HG23 VAL A 72 12.337 7.381 -0.760 1.00 1.00 H new ATOM 1056 N GLU A 73 11.253 3.868 -3.478 1.00 1.00 N ATOM 1057 CA GLU A 73 10.736 2.702 -4.186 1.00 1.00 C ATOM 1058 C GLU A 73 11.519 2.465 -5.475 1.00 1.00 C ATOM 1059 O GLU A 73 11.718 1.322 -5.888 1.00 1.00 O ATOM 1060 CB GLU A 73 9.257 2.906 -4.520 1.00 1.00 C ATOM 1061 CG GLU A 73 8.396 2.310 -3.406 1.00 1.00 C ATOM 1062 CD GLU A 73 8.429 0.787 -3.478 1.00 1.00 C ATOM 1063 OE1 GLU A 73 8.318 0.261 -4.573 1.00 1.00 O ATOM 1064 OE2 GLU A 73 8.568 0.170 -2.434 1.00 1.00 O ATOM 0 H GLU A 73 10.592 4.641 -3.398 1.00 1.00 H new ATOM 0 HA GLU A 73 10.847 1.831 -3.540 1.00 1.00 H new ATOM 0 HB2 GLU A 73 9.042 3.969 -4.632 1.00 1.00 H new ATOM 0 HB3 GLU A 73 9.019 2.431 -5.472 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.761 2.644 -2.435 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.369 2.664 -3.500 1.00 1.00 H new ATOM 1071 N THR A 74 11.955 3.550 -6.108 1.00 1.00 N ATOM 1072 CA THR A 74 12.707 3.441 -7.352 1.00 1.00 C ATOM 1073 C THR A 74 14.108 2.901 -7.086 1.00 1.00 C ATOM 1074 O THR A 74 14.711 2.259 -7.945 1.00 1.00 O ATOM 1075 CB THR A 74 12.804 4.811 -8.025 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.529 5.438 -8.002 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.267 4.640 -9.473 1.00 1.00 C ATOM 0 H THR A 74 11.802 4.505 -5.784 1.00 1.00 H new ATOM 0 HA THR A 74 12.184 2.749 -8.012 1.00 1.00 H new ATOM 0 HB THR A 74 13.523 5.430 -7.489 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.445 5.978 -7.189 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.335 5.617 -9.951 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.245 4.159 -9.488 1.00 1.00 H new ATOM 0 HG23 THR A 74 12.551 4.021 -10.013 1.00 1.00 H new ATOM 1085 N TYR A 75 14.619 3.167 -5.889 1.00 1.00 N ATOM 1086 CA TYR A 75 15.950 2.705 -5.518 1.00 1.00 C ATOM 1087 C TYR A 75 15.982 1.180 -5.435 1.00 1.00 C ATOM 1088 O TYR A 75 16.872 0.537 -5.990 1.00 1.00 O ATOM 1089 CB TYR A 75 16.341 3.310 -4.168 1.00 1.00 C ATOM 1090 CG TYR A 75 17.672 2.757 -3.725 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.741 1.498 -3.115 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.839 3.506 -3.916 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.977 0.989 -2.699 1.00 1.00 C ATOM 1094 CE2 TYR A 75 20.075 2.997 -3.501 1.00 1.00 C ATOM 1095 CZ TYR A 75 20.144 1.739 -2.891 1.00 1.00 C ATOM 1096 OH TYR A 75 21.362 1.237 -2.481 1.00 1.00 O ATOM 0 H TYR A 75 14.135 3.697 -5.164 1.00 1.00 H new ATOM 0 HA TYR A 75 16.661 3.024 -6.280 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.397 4.396 -4.248 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.577 3.084 -3.424 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.841 0.920 -2.966 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.786 4.478 -4.384 1.00 1.00 H new ATOM 0 HE1 TYR A 75 19.031 0.018 -2.230 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.975 3.575 -3.651 1.00 1.00 H new ATOM 0 HH TYR A 75 22.069 1.883 -2.690 1.00 1.00 H new ATOM 1106 N LEU A 76 15.003 0.610 -4.739 1.00 1.00 N ATOM 1107 CA LEU A 76 14.926 -0.842 -4.592 1.00 1.00 C ATOM 1108 C LEU A 76 14.653 -1.513 -5.935 1.00 1.00 C ATOM 1109 O LEU A 76 15.240 -2.548 -6.250 1.00 1.00 O ATOM 1110 CB LEU A 76 13.803 -1.211 -3.622 1.00 1.00 C ATOM 1111 CG LEU A 76 13.945 -2.683 -3.203 1.00 1.00 C ATOM 1112 CD1 LEU A 76 15.195 -2.876 -2.333 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.709 -3.118 -2.409 1.00 1.00 C ATOM 0 H LEU A 76 14.257 1.125 -4.271 1.00 1.00 H new ATOM 0 HA LEU A 76 15.884 -1.190 -4.206 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.842 -0.567 -2.743 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.834 -1.049 -4.094 1.00 1.00 H new ATOM 0 HG LEU A 76 14.039 -3.290 -4.103 1.00 1.00 H new ATOM 0 HD11 LEU A 76 15.280 -3.924 -2.045 1.00 1.00 H new ATOM 0 HD12 LEU A 76 16.080 -2.582 -2.897 1.00 1.00 H new ATOM 0 HD13 LEU A 76 15.114 -2.260 -1.438 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.815 -4.162 -2.114 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.612 -2.498 -1.518 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.820 -3.004 -3.029 1.00 1.00 H new ATOM 1125 N LYS A 77 13.755 -0.923 -6.716 1.00 1.00 N ATOM 1126 CA LYS A 77 13.409 -1.477 -8.013 1.00 1.00 C ATOM 1127 C LYS A 77 14.655 -1.586 -8.885 1.00 1.00 C ATOM 1128 O LYS A 77 14.836 -2.563 -9.610 1.00 1.00 O ATOM 1129 CB LYS A 77 12.353 -0.578 -8.677 1.00 1.00 C ATOM 1130 CG LYS A 77 12.585 -0.499 -10.185 1.00 1.00 C ATOM 1131 CD LYS A 77 11.368 0.145 -10.857 1.00 1.00 C ATOM 1132 CE LYS A 77 11.239 1.607 -10.423 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.385 1.689 -9.203 1.00 1.00 N ATOM 0 H LYS A 77 13.258 -0.066 -6.473 1.00 1.00 H new ATOM 0 HA LYS A 77 12.996 -2.478 -7.889 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.356 -0.970 -8.477 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.395 0.422 -8.244 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.481 0.085 -10.396 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.752 -1.497 -10.591 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.468 0.087 -11.941 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.464 -0.402 -10.591 1.00 1.00 H new ATOM 0 HE2 LYS A 77 12.225 2.025 -10.219 1.00 1.00 H new ATOM 0 HE3 LYS A 77 10.802 2.199 -11.227 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 10.031 2.661 -9.091 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 9.581 1.037 -9.298 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 10.947 1.427 -8.368 1.00 1.00 H new ATOM 1147 N LYS A 78 15.510 -0.575 -8.802 1.00 1.00 N ATOM 1148 CA LYS A 78 16.739 -0.563 -9.582 1.00 1.00 C ATOM 1149 C LYS A 78 17.651 -1.706 -9.147 1.00 1.00 C ATOM 1150 O LYS A 78 18.275 -2.367 -9.978 1.00 1.00 O ATOM 1151 CB LYS A 78 17.457 0.774 -9.388 1.00 1.00 C ATOM 1152 CG LYS A 78 16.859 1.816 -10.333 1.00 1.00 C ATOM 1153 CD LYS A 78 17.587 1.768 -11.677 1.00 1.00 C ATOM 1154 CE LYS A 78 18.794 2.705 -11.640 1.00 1.00 C ATOM 1155 NZ LYS A 78 18.322 4.118 -11.605 1.00 1.00 N ATOM 0 H LYS A 78 15.376 0.242 -8.206 1.00 1.00 H new ATOM 0 HA LYS A 78 16.491 -0.692 -10.636 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.358 1.106 -8.354 1.00 1.00 H new ATOM 0 HB3 LYS A 78 18.523 0.658 -9.585 1.00 1.00 H new ATOM 0 HG2 LYS A 78 15.796 1.623 -10.477 1.00 1.00 H new ATOM 0 HG3 LYS A 78 16.947 2.811 -9.896 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.911 0.749 -11.890 1.00 1.00 H new ATOM 0 HD3 LYS A 78 16.910 2.062 -12.479 1.00 1.00 H new ATOM 0 HE2 LYS A 78 19.407 2.493 -10.764 1.00 1.00 H new ATOM 0 HE3 LYS A 78 19.422 2.541 -12.515 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 19.037 4.734 -12.042 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 17.428 4.199 -12.130 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 18.171 4.409 -10.618 1.00 1.00 H new ATOM 1169 N LEU A 79 17.712 -1.935 -7.840 1.00 1.00 N ATOM 1170 CA LEU A 79 18.541 -3.007 -7.298 1.00 1.00 C ATOM 1171 C LEU A 79 17.967 -4.373 -7.666 1.00 1.00 C ATOM 1172 O LEU A 79 18.691 -5.261 -8.118 1.00 1.00 O ATOM 1173 CB LEU A 79 18.627 -2.880 -5.775 1.00 1.00 C ATOM 1174 CG LEU A 79 19.979 -2.276 -5.385 1.00 1.00 C ATOM 1175 CD1 LEU A 79 20.131 -0.899 -6.033 1.00 1.00 C ATOM 1176 CD2 LEU A 79 20.058 -2.134 -3.863 1.00 1.00 C ATOM 0 H LEU A 79 17.201 -1.397 -7.140 1.00 1.00 H new ATOM 0 HA LEU A 79 19.539 -2.920 -7.728 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.817 -2.251 -5.406 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.507 -3.859 -5.311 1.00 1.00 H new ATOM 0 HG LEU A 79 20.779 -2.931 -5.730 1.00 1.00 H new ATOM 0 HD11 LEU A 79 21.094 -0.470 -5.755 1.00 1.00 H new ATOM 0 HD12 LEU A 79 20.078 -0.999 -7.117 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.330 -0.245 -5.690 1.00 1.00 H new ATOM 0 HD21 LEU A 79 21.021 -1.704 -3.587 1.00 1.00 H new ATOM 0 HD22 LEU A 79 19.257 -1.482 -3.516 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.953 -3.115 -3.400 1.00 1.00 H new ATOM 1188 N ILE A 80 16.662 -4.535 -7.465 1.00 1.00 N ATOM 1189 CA ILE A 80 15.999 -5.799 -7.776 1.00 1.00 C ATOM 1190 C ILE A 80 15.951 -6.033 -9.283 1.00 1.00 C ATOM 1191 O ILE A 80 16.215 -7.139 -9.759 1.00 1.00 O ATOM 1192 CB ILE A 80 14.575 -5.797 -7.216 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.624 -6.005 -5.698 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.775 -6.931 -7.862 1.00 1.00 C ATOM 1195 CD1 ILE A 80 13.242 -5.743 -5.094 1.00 1.00 C ATOM 0 H ILE A 80 16.046 -3.813 -7.091 1.00 1.00 H new ATOM 0 HA ILE A 80 16.572 -6.603 -7.315 1.00 1.00 H new ATOM 0 HB ILE A 80 14.097 -4.843 -7.436 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.943 -7.022 -5.471 1.00 1.00 H new ATOM 0 HG13 ILE A 80 15.359 -5.334 -5.253 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.760 -6.932 -7.465 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.742 -6.784 -8.942 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.252 -7.885 -7.640 1.00 1.00 H new ATOM 0 HD11 ILE A 80 13.282 -5.892 -4.015 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.940 -4.718 -5.308 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.518 -6.432 -5.529 1.00 1.00 H new ATOM 1207 N ALA A 81 15.605 -4.989 -10.028 1.00 1.00 N ATOM 1208 CA ALA A 81 15.516 -5.091 -11.480 1.00 1.00 C ATOM 1209 C ALA A 81 16.891 -5.337 -12.093 1.00 1.00 C ATOM 1210 O ALA A 81 17.003 -5.894 -13.184 1.00 1.00 O ATOM 1211 CB ALA A 81 14.922 -3.806 -12.058 1.00 1.00 C ATOM 0 H ALA A 81 15.383 -4.067 -9.653 1.00 1.00 H new ATOM 0 HA ALA A 81 14.870 -5.934 -11.723 1.00 1.00 H new ATOM 0 HB1 ALA A 81 14.859 -3.890 -13.143 1.00 1.00 H new ATOM 0 HB2 ALA A 81 13.924 -3.650 -11.648 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.559 -2.961 -11.796 1.00 1.00 H new ATOM 1306 N LYS A 88 16.170 -6.867 1.677 1.00 1.00 N ATOM 1307 CA LYS A 88 14.883 -6.833 2.358 1.00 1.00 C ATOM 1308 C LYS A 88 14.705 -5.491 3.060 1.00 1.00 C ATOM 1309 O LYS A 88 14.932 -5.371 4.263 1.00 1.00 O ATOM 1310 CB LYS A 88 14.800 -7.966 3.384 1.00 1.00 C ATOM 1311 CG LYS A 88 14.107 -9.175 2.754 1.00 1.00 C ATOM 1312 CD LYS A 88 14.330 -10.408 3.631 1.00 1.00 C ATOM 1313 CE LYS A 88 13.843 -10.119 5.051 1.00 1.00 C ATOM 1314 NZ LYS A 88 13.476 -11.399 5.720 1.00 1.00 N ATOM 0 HA LYS A 88 14.091 -6.963 1.621 1.00 1.00 H new ATOM 0 HB2 LYS A 88 15.800 -8.241 3.720 1.00 1.00 H new ATOM 0 HB3 LYS A 88 14.248 -7.635 4.264 1.00 1.00 H new ATOM 0 HG2 LYS A 88 13.040 -8.980 2.647 1.00 1.00 H new ATOM 0 HG3 LYS A 88 14.501 -9.352 1.753 1.00 1.00 H new ATOM 0 HD2 LYS A 88 13.794 -11.263 3.218 1.00 1.00 H new ATOM 0 HD3 LYS A 88 15.388 -10.671 3.644 1.00 1.00 H new ATOM 0 HE2 LYS A 88 14.623 -9.610 5.618 1.00 1.00 H new ATOM 0 HE3 LYS A 88 12.982 -9.451 5.023 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 13.145 -11.203 6.686 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 12.719 -11.867 5.182 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 14.308 -12.021 5.759 1.00 1.00 H new ATOM 1328 N ILE A 89 14.313 -4.480 2.292 1.00 1.00 N ATOM 1329 CA ILE A 89 14.122 -3.144 2.842 1.00 1.00 C ATOM 1330 C ILE A 89 13.368 -3.204 4.166 1.00 1.00 C ATOM 1331 O ILE A 89 12.516 -4.066 4.375 1.00 1.00 O ATOM 1332 CB ILE A 89 13.376 -2.261 1.824 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.397 -1.353 1.125 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.311 -1.398 2.520 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.719 -0.556 0.012 1.00 1.00 C ATOM 0 H ILE A 89 14.122 -4.560 1.293 1.00 1.00 H new ATOM 0 HA ILE A 89 15.099 -2.703 3.038 1.00 1.00 H new ATOM 0 HB ILE A 89 12.872 -2.900 1.099 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.845 -0.672 1.849 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.206 -1.955 0.711 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.799 -0.784 1.779 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.588 -2.044 3.018 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.790 -0.753 3.257 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.454 0.084 -0.476 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.293 -1.243 -0.719 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.926 0.060 0.437 1.00 1.00 H new ATOM 1347 N THR A 90 13.686 -2.264 5.048 1.00 1.00 N ATOM 1348 CA THR A 90 13.040 -2.184 6.349 1.00 1.00 C ATOM 1349 C THR A 90 12.786 -0.723 6.707 1.00 1.00 C ATOM 1350 O THR A 90 13.081 0.176 5.921 1.00 1.00 O ATOM 1351 CB THR A 90 13.923 -2.832 7.417 1.00 1.00 C ATOM 1352 OG1 THR A 90 14.948 -1.924 7.796 1.00 1.00 O ATOM 1353 CG2 THR A 90 14.551 -4.108 6.856 1.00 1.00 C ATOM 0 H THR A 90 14.390 -1.545 4.883 1.00 1.00 H new ATOM 0 HA THR A 90 12.090 -2.717 6.306 1.00 1.00 H new ATOM 0 HB THR A 90 13.317 -3.081 8.288 1.00 1.00 H new ATOM 0 HG1 THR A 90 15.514 -2.337 8.481 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.180 -4.569 7.617 1.00 1.00 H new ATOM 0 HG22 THR A 90 13.764 -4.804 6.566 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.158 -3.862 5.984 1.00 1.00 H new ATOM 1361 N GLU A 91 12.242 -0.491 7.894 1.00 1.00 N ATOM 1362 CA GLU A 91 11.959 0.870 8.338 1.00 1.00 C ATOM 1363 C GLU A 91 13.248 1.675 8.417 1.00 1.00 C ATOM 1364 O GLU A 91 13.251 2.891 8.229 1.00 1.00 O ATOM 1365 CB GLU A 91 11.286 0.841 9.714 1.00 1.00 C ATOM 1366 CG GLU A 91 12.310 0.456 10.783 1.00 1.00 C ATOM 1367 CD GLU A 91 12.995 1.706 11.325 1.00 1.00 C ATOM 1368 OE1 GLU A 91 12.292 2.652 11.643 1.00 1.00 O ATOM 1369 OE2 GLU A 91 14.211 1.696 11.424 1.00 1.00 O ATOM 0 H GLU A 91 11.989 -1.219 8.562 1.00 1.00 H new ATOM 0 HA GLU A 91 11.289 1.341 7.619 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.859 1.818 9.941 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.463 0.126 9.712 1.00 1.00 H new ATOM 0 HG2 GLU A 91 11.817 -0.079 11.595 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.052 -0.221 10.360 1.00 1.00 H new ATOM 1376 N ALA A 92 14.337 0.972 8.705 1.00 1.00 N ATOM 1377 CA ALA A 92 15.651 1.596 8.829 1.00 1.00 C ATOM 1378 C ALA A 92 16.275 1.828 7.459 1.00 1.00 C ATOM 1379 O ALA A 92 17.026 2.782 7.266 1.00 1.00 O ATOM 1380 CB ALA A 92 16.573 0.707 9.666 1.00 1.00 C ATOM 0 H ALA A 92 14.336 -0.036 8.858 1.00 1.00 H new ATOM 0 HA ALA A 92 15.525 2.560 9.321 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.552 1.179 9.754 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.145 0.571 10.659 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.681 -0.264 9.182 1.00 1.00 H new ATOM 1386 N GLU A 93 15.967 0.955 6.516 1.00 1.00 N ATOM 1387 CA GLU A 93 16.508 1.088 5.176 1.00 1.00 C ATOM 1388 C GLU A 93 15.813 2.220 4.415 1.00 1.00 C ATOM 1389 O GLU A 93 16.470 3.018 3.753 1.00 1.00 O ATOM 1390 CB GLU A 93 16.333 -0.224 4.417 1.00 1.00 C ATOM 1391 CG GLU A 93 17.283 -0.256 3.221 1.00 1.00 C ATOM 1392 CD GLU A 93 18.720 -0.441 3.699 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.945 -1.327 4.506 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.572 0.311 3.257 1.00 1.00 O ATOM 0 H GLU A 93 15.351 0.154 6.652 1.00 1.00 H new ATOM 0 HA GLU A 93 17.568 1.327 5.256 1.00 1.00 H new ATOM 0 HB2 GLU A 93 16.535 -1.067 5.077 1.00 1.00 H new ATOM 0 HB3 GLU A 93 15.302 -0.325 4.078 1.00 1.00 H new ATOM 0 HG2 GLU A 93 17.007 -1.069 2.549 1.00 1.00 H new ATOM 0 HG3 GLU A 93 17.197 0.670 2.653 1.00 1.00 H new ATOM 1401 N ILE A 94 14.482 2.275 4.509 1.00 1.00 N ATOM 1402 CA ILE A 94 13.708 3.307 3.809 1.00 1.00 C ATOM 1403 C ILE A 94 14.062 4.704 4.310 1.00 1.00 C ATOM 1404 O ILE A 94 14.296 5.611 3.511 1.00 1.00 O ATOM 1405 CB ILE A 94 12.211 3.047 4.024 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.703 2.091 2.943 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.423 4.359 3.942 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.474 1.338 3.457 1.00 1.00 C ATOM 0 H ILE A 94 13.920 1.624 5.058 1.00 1.00 H new ATOM 0 HA ILE A 94 13.951 3.259 2.747 1.00 1.00 H new ATOM 0 HB ILE A 94 12.069 2.608 5.011 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.449 2.648 2.041 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.487 1.384 2.671 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.363 4.157 4.097 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.778 5.045 4.711 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.567 4.809 2.960 1.00 1.00 H new ATOM 0 HD11 ILE A 94 10.115 0.658 2.685 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.742 0.768 4.346 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.688 2.051 3.707 1.00 1.00 H new ATOM 1420 N VAL A 95 14.115 4.877 5.625 1.00 1.00 N ATOM 1421 CA VAL A 95 14.461 6.174 6.184 1.00 1.00 C ATOM 1422 C VAL A 95 15.822 6.604 5.662 1.00 1.00 C ATOM 1423 O VAL A 95 16.055 7.777 5.369 1.00 1.00 O ATOM 1424 CB VAL A 95 14.493 6.112 7.710 1.00 1.00 C ATOM 1425 CG1 VAL A 95 13.082 5.867 8.247 1.00 1.00 C ATOM 1426 CG2 VAL A 95 15.407 4.982 8.155 1.00 1.00 C ATOM 0 H VAL A 95 13.926 4.148 6.313 1.00 1.00 H new ATOM 0 HA VAL A 95 13.705 6.898 5.882 1.00 1.00 H new ATOM 0 HB VAL A 95 14.868 7.058 8.099 1.00 1.00 H new ATOM 0 HG11 VAL A 95 13.110 5.823 9.336 1.00 1.00 H new ATOM 0 HG12 VAL A 95 12.427 6.680 7.933 1.00 1.00 H new ATOM 0 HG13 VAL A 95 12.703 4.923 7.856 1.00 1.00 H new ATOM 0 HG21 VAL A 95 15.429 4.939 9.244 1.00 1.00 H new ATOM 0 HG22 VAL A 95 15.034 4.036 7.762 1.00 1.00 H new ATOM 0 HG23 VAL A 95 16.414 5.159 7.779 1.00 1.00 H new ATOM 1436 N SER A 96 16.722 5.635 5.568 1.00 1.00 N ATOM 1437 CA SER A 96 18.080 5.894 5.100 1.00 1.00 C ATOM 1438 C SER A 96 18.074 6.514 3.709 1.00 1.00 C ATOM 1439 O SER A 96 18.780 7.492 3.457 1.00 1.00 O ATOM 1440 CB SER A 96 18.880 4.592 5.069 1.00 1.00 C ATOM 1441 OG SER A 96 18.966 4.125 3.729 1.00 1.00 O ATOM 0 H SER A 96 16.538 4.661 5.809 1.00 1.00 H new ATOM 0 HA SER A 96 18.544 6.597 5.792 1.00 1.00 H new ATOM 0 HB2 SER A 96 19.879 4.756 5.474 1.00 1.00 H new ATOM 0 HB3 SER A 96 18.400 3.842 5.698 1.00 1.00 H new ATOM 0 HG SER A 96 18.149 3.634 3.500 1.00 1.00 H new ATOM 1447 N ILE A 97 17.275 5.955 2.805 1.00 1.00 N ATOM 1448 CA ILE A 97 17.207 6.494 1.454 1.00 1.00 C ATOM 1449 C ILE A 97 16.534 7.862 1.480 1.00 1.00 C ATOM 1450 O ILE A 97 16.995 8.805 0.836 1.00 1.00 O ATOM 1451 CB ILE A 97 16.441 5.546 0.525 1.00 1.00 C ATOM 1452 CG1 ILE A 97 16.676 4.094 0.963 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.946 5.747 -0.908 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.602 3.151 -0.244 1.00 1.00 C ATOM 0 H ILE A 97 16.678 5.146 2.979 1.00 1.00 H new ATOM 0 HA ILE A 97 18.222 6.598 1.070 1.00 1.00 H new ATOM 0 HB ILE A 97 15.373 5.759 0.572 1.00 1.00 H new ATOM 0 HG12 ILE A 97 17.651 4.006 1.442 1.00 1.00 H new ATOM 0 HG13 ILE A 97 15.930 3.806 1.704 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.409 5.078 -1.580 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.776 6.780 -1.212 1.00 1.00 H new ATOM 0 HG23 ILE A 97 18.013 5.526 -0.952 1.00 1.00 H new ATOM 0 HD11 ILE A 97 16.771 2.126 0.085 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.617 3.227 -0.705 1.00 1.00 H new ATOM 0 HD13 ILE A 97 17.365 3.430 -0.971 1.00 1.00 H new ATOM 1466 N LEU A 98 15.450 7.966 2.243 1.00 1.00 N ATOM 1467 CA LEU A 98 14.731 9.230 2.365 1.00 1.00 C ATOM 1468 C LEU A 98 15.692 10.318 2.834 1.00 1.00 C ATOM 1469 O LEU A 98 15.744 11.406 2.260 1.00 1.00 O ATOM 1470 CB LEU A 98 13.549 9.049 3.344 1.00 1.00 C ATOM 1471 CG LEU A 98 13.444 10.208 4.357 1.00 1.00 C ATOM 1472 CD1 LEU A 98 13.263 11.541 3.626 1.00 1.00 C ATOM 1473 CD2 LEU A 98 12.224 9.968 5.251 1.00 1.00 C ATOM 0 H LEU A 98 15.053 7.197 2.782 1.00 1.00 H new ATOM 0 HA LEU A 98 14.328 9.534 1.399 1.00 1.00 H new ATOM 0 HB2 LEU A 98 12.620 8.978 2.779 1.00 1.00 H new ATOM 0 HB3 LEU A 98 13.667 8.109 3.882 1.00 1.00 H new ATOM 0 HG LEU A 98 14.357 10.248 4.950 1.00 1.00 H new ATOM 0 HD11 LEU A 98 13.191 12.349 4.354 1.00 1.00 H new ATOM 0 HD12 LEU A 98 14.118 11.717 2.973 1.00 1.00 H new ATOM 0 HD13 LEU A 98 12.351 11.508 3.029 1.00 1.00 H new ATOM 0 HD21 LEU A 98 12.137 10.780 5.973 1.00 1.00 H new ATOM 0 HD22 LEU A 98 11.324 9.930 4.637 1.00 1.00 H new ATOM 0 HD23 LEU A 98 12.341 9.023 5.781 1.00 1.00 H new ATOM 1485 N ASN A 99 16.453 10.010 3.878 1.00 1.00 N ATOM 1486 CA ASN A 99 17.416 10.961 4.421 1.00 1.00 C ATOM 1487 C ASN A 99 18.427 11.364 3.351 1.00 1.00 C ATOM 1488 O ASN A 99 18.903 12.499 3.328 1.00 1.00 O ATOM 1489 CB ASN A 99 18.148 10.339 5.610 1.00 1.00 C ATOM 1490 CG ASN A 99 17.633 10.942 6.912 1.00 1.00 C ATOM 1491 OD1 ASN A 99 17.678 12.158 7.094 1.00 1.00 O ATOM 1492 ND2 ASN A 99 17.142 10.158 7.834 1.00 1.00 N ATOM 0 H ASN A 99 16.422 9.114 4.364 1.00 1.00 H new ATOM 0 HA ASN A 99 16.878 11.850 4.751 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.999 9.259 5.615 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.220 10.512 5.519 1.00 1.00 H new ATOM 0 HD21 ASN A 99 16.795 10.553 8.708 1.00 1.00 H new ATOM 0 HD22 ASN A 99 17.106 9.150 7.680 1.00 1.00 H new ATOM 1499 N GLY A 100 18.749 10.423 2.468 1.00 1.00 N ATOM 1500 CA GLY A 100 19.704 10.687 1.397 1.00 1.00 C ATOM 1501 C GLY A 100 19.033 11.415 0.237 1.00 1.00 C ATOM 1502 O GLY A 100 19.658 12.231 -0.440 1.00 1.00 O ATOM 0 H GLY A 100 18.366 9.478 2.472 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.529 11.287 1.780 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.130 9.748 1.044 1.00 1.00 H new ATOM 1506 N ILE A 101 17.758 11.113 0.014 1.00 1.00 N ATOM 1507 CA ILE A 101 17.011 11.744 -1.069 1.00 1.00 C ATOM 1508 C ILE A 101 16.640 13.177 -0.699 1.00 1.00 C ATOM 1509 O ILE A 101 16.627 14.065 -1.551 1.00 1.00 O ATOM 1510 CB ILE A 101 15.741 10.944 -1.362 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.100 9.717 -2.204 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.747 11.816 -2.132 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.179 8.554 -1.829 1.00 1.00 C ATOM 0 H ILE A 101 17.223 10.441 0.564 1.00 1.00 H new ATOM 0 HA ILE A 101 17.641 11.762 -1.958 1.00 1.00 H new ATOM 0 HB ILE A 101 15.288 10.626 -0.423 1.00 1.00 H new ATOM 0 HG12 ILE A 101 15.998 9.948 -3.264 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.141 9.439 -2.036 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.844 11.242 -2.339 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.492 12.691 -1.535 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.196 12.137 -3.072 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.434 7.680 -2.428 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.303 8.318 -0.772 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.143 8.834 -2.019 1.00 1.00 H new ATOM 1525 N ALA A 102 16.339 13.395 0.578 1.00 1.00 N ATOM 1526 CA ALA A 102 15.971 14.725 1.048 1.00 1.00 C ATOM 1527 C ALA A 102 17.124 15.701 0.845 1.00 1.00 C ATOM 1528 O ALA A 102 16.910 16.901 0.666 1.00 1.00 O ATOM 1529 CB ALA A 102 15.600 14.670 2.532 1.00 1.00 C ATOM 0 H ALA A 102 16.343 12.674 1.300 1.00 1.00 H new ATOM 0 HA ALA A 102 15.112 15.070 0.472 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.326 15.667 2.876 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.756 13.994 2.671 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.453 14.309 3.107 1.00 1.00 H new ATOM 1535 N LYS A 103 18.346 15.181 0.876 1.00 1.00 N ATOM 1536 CA LYS A 103 19.527 16.016 0.694 1.00 1.00 C ATOM 1537 C LYS A 103 19.681 16.413 -0.771 1.00 1.00 C ATOM 1538 O LYS A 103 19.985 17.564 -1.084 1.00 1.00 O ATOM 1539 CB LYS A 103 20.775 15.263 1.154 1.00 1.00 C ATOM 1540 CG LYS A 103 21.798 16.260 1.701 1.00 1.00 C ATOM 1541 CD LYS A 103 21.495 16.547 3.173 1.00 1.00 C ATOM 1542 CE LYS A 103 22.266 15.560 4.055 1.00 1.00 C ATOM 1543 NZ LYS A 103 23.690 15.986 4.146 1.00 1.00 N ATOM 0 H LYS A 103 18.544 14.191 1.024 1.00 1.00 H new ATOM 0 HA LYS A 103 19.407 16.919 1.293 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.512 14.537 1.923 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.204 14.705 0.322 1.00 1.00 H new ATOM 0 HG2 LYS A 103 22.805 15.857 1.598 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.764 17.185 1.125 1.00 1.00 H new ATOM 0 HD2 LYS A 103 21.778 17.570 3.421 1.00 1.00 H new ATOM 0 HD3 LYS A 103 20.425 16.458 3.359 1.00 1.00 H new ATOM 0 HE2 LYS A 103 21.822 15.521 5.050 1.00 1.00 H new ATOM 0 HE3 LYS A 103 22.201 14.555 3.638 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 24.153 15.483 4.929 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 24.177 15.762 3.255 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 23.736 17.011 4.318 1.00 1.00 H new ATOM 1557 N GLN A 104 19.471 15.452 -1.664 1.00 1.00 N ATOM 1558 CA GLN A 104 19.589 15.713 -3.095 1.00 1.00 C ATOM 1559 C GLN A 104 18.423 16.567 -3.582 1.00 1.00 C ATOM 1560 O GLN A 104 18.621 17.647 -4.137 1.00 1.00 O ATOM 1561 CB GLN A 104 19.615 14.392 -3.866 1.00 1.00 C ATOM 1562 CG GLN A 104 20.854 13.590 -3.463 1.00 1.00 C ATOM 1563 CD GLN A 104 21.876 13.608 -4.596 1.00 1.00 C ATOM 1564 OE1 GLN A 104 21.964 12.655 -5.369 1.00 1.00 O ATOM 1565 NE2 GLN A 104 22.659 14.642 -4.740 1.00 1.00 N ATOM 0 H GLN A 104 19.220 14.492 -1.426 1.00 1.00 H new ATOM 0 HA GLN A 104 20.518 16.254 -3.271 1.00 1.00 H new ATOM 0 HB2 GLN A 104 18.713 13.818 -3.655 1.00 1.00 H new ATOM 0 HB3 GLN A 104 19.627 14.585 -4.939 1.00 1.00 H new ATOM 0 HG2 GLN A 104 21.293 14.012 -2.559 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.573 12.563 -3.231 1.00 1.00 H new ATOM 0 HE21 GLN A 104 22.585 15.431 -4.098 1.00 1.00 H new ATOM 0 HE22 GLN A 104 23.345 14.661 -5.494 1.00 1.00 H new