USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 519 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 12 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-2.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 6:sc= -0.0244 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -151:sc= -0.52 USER MOD Single : A 70 TYR OH : rot 165:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.5) USER MOD Single : A 77 ASN : amide:sc= -0.903 K(o=-0.9,f=-5.1!) USER MOD Single : A 78 TYR OH : rot -18:sc= 0.808 USER MOD Single : A 81 SER OG : rot 29:sc= -1.25 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -7.08! C(o=-7.1!,f=-9.1!) USER MOD Single : A 88 HIS :FLIP no HD1:sc= -0.602 F(o=-1.5,f=-0.6) USER MOD Single : A 92 SER OG : rot -160:sc= 1.26 USER MOD Single : A 94 TYR OH : rot 60:sc= -1.32 USER MOD ----------------------------------------------------------------- ATOM 88 N GLY A 10 -3.244 17.507 0.884 1.00 0.00 N ATOM 89 CA GLY A 10 -2.529 16.775 1.913 1.00 0.00 C ATOM 90 C GLY A 10 -2.693 15.275 1.779 1.00 0.00 C ATOM 91 O GLY A 10 -2.602 14.730 0.679 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.470 17.027 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.887 17.090 2.893 1.00 0.00 H new ATOM 95 N ALA A 11 -2.933 14.604 2.901 1.00 0.00 N ATOM 96 CA ALA A 11 -3.110 13.157 2.903 1.00 0.00 C ATOM 97 C ALA A 11 -4.371 12.757 2.145 1.00 0.00 C ATOM 98 O ALA A 11 -4.301 12.100 1.107 1.00 0.00 O ATOM 99 CB ALA A 11 -3.163 12.634 4.331 1.00 0.00 C ATOM 0 H ALA A 11 -3.009 15.040 3.820 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.255 12.711 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.295 11.552 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.233 12.879 4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.999 13.095 4.857 1.00 0.00 H new ATOM 105 N HIS A 12 -5.524 13.157 2.672 1.00 0.00 N ATOM 106 CA HIS A 12 -6.802 12.839 2.043 1.00 0.00 C ATOM 107 C HIS A 12 -6.676 12.846 0.523 1.00 0.00 C ATOM 108 O HIS A 12 -7.210 11.970 -0.160 1.00 0.00 O ATOM 109 CB HIS A 12 -7.872 13.838 2.483 1.00 0.00 C ATOM 110 CG HIS A 12 -7.593 15.244 2.050 1.00 0.00 C ATOM 111 ND1 HIS A 12 -6.640 16.040 2.648 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.148 15.996 1.070 1.00 0.00 C ATOM 113 CE1 HIS A 12 -6.621 17.222 2.057 1.00 0.00 C ATOM 114 NE2 HIS A 12 -7.527 17.219 1.095 1.00 0.00 N ATOM 0 H HIS A 12 -5.600 13.701 3.531 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.097 11.839 2.360 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.836 13.527 2.080 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.958 13.811 3.569 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.933 15.690 0.395 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.976 18.048 2.316 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.732 18.000 0.472 1.00 0.00 H new ATOM 122 N LYS A 13 -5.969 13.840 -0.003 1.00 0.00 N ATOM 123 CA LYS A 13 -5.772 13.962 -1.442 1.00 0.00 C ATOM 124 C LYS A 13 -5.167 12.686 -2.019 1.00 0.00 C ATOM 125 O LYS A 13 -5.717 12.089 -2.945 1.00 0.00 O ATOM 126 CB LYS A 13 -4.867 15.155 -1.755 1.00 0.00 C ATOM 127 CG LYS A 13 -5.575 16.496 -1.671 1.00 0.00 C ATOM 128 CD LYS A 13 -6.337 16.805 -2.948 1.00 0.00 C ATOM 129 CE LYS A 13 -7.757 16.260 -2.896 1.00 0.00 C ATOM 130 NZ LYS A 13 -8.685 17.050 -3.753 1.00 0.00 N ATOM 0 H LYS A 13 -5.522 14.574 0.547 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.746 14.122 -1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.026 15.154 -1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.454 15.034 -2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.264 16.492 -0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.845 17.283 -1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.366 17.883 -3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.812 16.374 -3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.759 15.220 -3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.114 16.273 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.642 16.648 -3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.703 18.037 -3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.359 17.017 -4.740 1.00 0.00 H new ATOM 144 N VAL A 14 -4.032 12.272 -1.465 1.00 0.00 N ATOM 145 CA VAL A 14 -3.353 11.066 -1.923 1.00 0.00 C ATOM 146 C VAL A 14 -4.356 9.985 -2.310 1.00 0.00 C ATOM 147 O VAL A 14 -5.482 9.961 -1.813 1.00 0.00 O ATOM 148 CB VAL A 14 -2.409 10.508 -0.842 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.764 9.213 -1.311 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.350 11.539 -0.479 1.00 0.00 C ATOM 0 H VAL A 14 -3.563 12.754 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.767 11.346 -2.798 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.995 10.290 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.101 8.834 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.539 8.475 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.190 9.400 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.691 11.129 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.766 11.789 -1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.833 12.438 -0.098 1.00 0.00 H new ATOM 160 N ARG A 15 -3.940 9.091 -3.202 1.00 0.00 N ATOM 161 CA ARG A 15 -4.802 8.007 -3.658 1.00 0.00 C ATOM 162 C ARG A 15 -3.974 6.815 -4.128 1.00 0.00 C ATOM 163 O ARG A 15 -3.052 6.964 -4.929 1.00 0.00 O ATOM 164 CB ARG A 15 -5.709 8.491 -4.791 1.00 0.00 C ATOM 165 CG ARG A 15 -6.762 7.476 -5.204 1.00 0.00 C ATOM 166 CD ARG A 15 -7.256 7.730 -6.619 1.00 0.00 C ATOM 167 NE ARG A 15 -8.499 7.017 -6.901 1.00 0.00 N ATOM 168 CZ ARG A 15 -9.701 7.472 -6.564 1.00 0.00 C ATOM 169 NH1 ARG A 15 -9.821 8.634 -5.936 1.00 0.00 N ATOM 170 NH2 ARG A 15 -10.785 6.765 -6.855 1.00 0.00 N ATOM 0 H ARG A 15 -3.011 9.096 -3.623 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.420 7.689 -2.818 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.205 9.411 -4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.095 8.737 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.346 6.471 -5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.602 7.519 -4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.411 8.799 -6.762 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.491 7.420 -7.331 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.441 6.120 -7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.990 9.180 -5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.745 8.981 -5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.696 5.871 -7.338 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.707 7.115 -6.596 1.00 0.00 H new ATOM 184 N ALA A 16 -4.311 5.632 -3.624 1.00 0.00 N ATOM 185 CA ALA A 16 -3.600 4.414 -3.994 1.00 0.00 C ATOM 186 C ALA A 16 -4.574 3.300 -4.360 1.00 0.00 C ATOM 187 O ALA A 16 -5.631 3.159 -3.747 1.00 0.00 O ATOM 188 CB ALA A 16 -2.689 3.970 -2.859 1.00 0.00 C ATOM 0 H ALA A 16 -5.071 5.491 -2.959 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.990 4.630 -4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.164 3.060 -3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.963 4.755 -2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.286 3.777 -1.968 1.00 0.00 H new ATOM 222 N GLY A 20 -1.263 -5.371 -6.437 1.00 0.00 N ATOM 223 CA GLY A 20 -0.665 -6.006 -5.277 1.00 0.00 C ATOM 224 C GLY A 20 -1.436 -5.728 -4.002 1.00 0.00 C ATOM 225 O GLY A 20 -1.534 -6.588 -3.126 1.00 0.00 O ATOM 0 HA2 GLY A 20 -0.616 -7.082 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.360 -5.654 -5.162 1.00 0.00 H new ATOM 229 N LEU A 21 -1.983 -4.522 -3.895 1.00 0.00 N ATOM 230 CA LEU A 21 -2.748 -4.131 -2.716 1.00 0.00 C ATOM 231 C LEU A 21 -4.055 -4.911 -2.631 1.00 0.00 C ATOM 232 O LEU A 21 -4.609 -5.099 -1.548 1.00 0.00 O ATOM 233 CB LEU A 21 -3.038 -2.629 -2.746 1.00 0.00 C ATOM 234 CG LEU A 21 -1.839 -1.709 -2.514 1.00 0.00 C ATOM 235 CD1 LEU A 21 -2.179 -0.281 -2.910 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.393 -1.770 -1.060 1.00 0.00 C ATOM 0 H LEU A 21 -1.911 -3.798 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.151 -4.362 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.477 -2.383 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.791 -2.409 -1.989 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.015 -2.052 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.314 0.360 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.449 -0.251 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.018 0.073 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.539 -1.109 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.212 -1.453 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.108 -2.792 -0.809 1.00 0.00 H new ATOM 248 N GLU A 22 -4.543 -5.366 -3.781 1.00 0.00 N ATOM 249 CA GLU A 22 -5.785 -6.128 -3.836 1.00 0.00 C ATOM 250 C GLU A 22 -5.605 -7.508 -3.212 1.00 0.00 C ATOM 251 O GLU A 22 -6.388 -7.923 -2.359 1.00 0.00 O ATOM 252 CB GLU A 22 -6.259 -6.268 -5.284 1.00 0.00 C ATOM 253 CG GLU A 22 -6.579 -4.941 -5.951 1.00 0.00 C ATOM 254 CD GLU A 22 -8.015 -4.506 -5.728 1.00 0.00 C ATOM 255 OE1 GLU A 22 -8.338 -4.090 -4.595 1.00 0.00 O ATOM 256 OE2 GLU A 22 -8.814 -4.581 -6.683 1.00 0.00 O ATOM 0 H GLU A 22 -4.097 -5.220 -4.687 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.539 -5.587 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.489 -6.779 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.147 -6.900 -5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.907 -4.174 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.390 -5.022 -7.021 1.00 0.00 H new ATOM 263 N ARG A 23 -4.566 -8.216 -3.645 1.00 0.00 N ATOM 264 CA ARG A 23 -4.283 -9.549 -3.131 1.00 0.00 C ATOM 265 C ARG A 23 -2.803 -9.890 -3.284 1.00 0.00 C ATOM 266 O ARG A 23 -2.116 -9.341 -4.144 1.00 0.00 O ATOM 267 CB ARG A 23 -5.133 -10.592 -3.859 1.00 0.00 C ATOM 268 CG ARG A 23 -5.475 -11.804 -3.008 1.00 0.00 C ATOM 269 CD ARG A 23 -5.681 -13.044 -3.862 1.00 0.00 C ATOM 270 NE ARG A 23 -6.943 -13.001 -4.595 1.00 0.00 N ATOM 271 CZ ARG A 23 -8.135 -13.057 -4.010 1.00 0.00 C ATOM 272 NH1 ARG A 23 -8.226 -13.159 -2.691 1.00 0.00 N ATOM 273 NH2 ARG A 23 -9.239 -13.012 -4.745 1.00 0.00 N ATOM 0 H ARG A 23 -3.907 -7.887 -4.351 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.534 -9.561 -2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.058 -10.123 -4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.601 -10.924 -4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.674 -11.984 -2.291 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.379 -11.603 -2.433 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.855 -13.139 -4.567 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.661 -13.929 -3.226 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.908 -12.924 -5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.380 -13.195 -2.123 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.142 -13.202 -2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.173 -12.934 -5.760 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.153 -13.055 -4.295 1.00 0.00 H new ATOM 287 N GLY A 24 -2.319 -10.798 -2.443 1.00 0.00 N ATOM 288 CA GLY A 24 -0.924 -11.194 -2.501 1.00 0.00 C ATOM 289 C GLY A 24 -0.744 -12.697 -2.420 1.00 0.00 C ATOM 290 O GLY A 24 -1.674 -13.420 -2.066 1.00 0.00 O ATOM 0 H GLY A 24 -2.868 -11.267 -1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.484 -10.828 -3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.381 -10.722 -1.682 1.00 0.00 H new ATOM 294 N GLU A 25 0.455 -13.167 -2.751 1.00 0.00 N ATOM 295 CA GLU A 25 0.751 -14.594 -2.716 1.00 0.00 C ATOM 296 C GLU A 25 2.049 -14.861 -1.960 1.00 0.00 C ATOM 297 O GLU A 25 3.123 -14.424 -2.374 1.00 0.00 O ATOM 298 CB GLU A 25 0.851 -15.151 -4.137 1.00 0.00 C ATOM 299 CG GLU A 25 -0.476 -15.630 -4.698 1.00 0.00 C ATOM 300 CD GLU A 25 -1.308 -14.499 -5.273 1.00 0.00 C ATOM 301 OE1 GLU A 25 -2.083 -13.885 -4.509 1.00 0.00 O ATOM 302 OE2 GLU A 25 -1.184 -14.229 -6.485 1.00 0.00 O ATOM 0 H GLU A 25 1.236 -12.581 -3.046 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.063 -15.096 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.256 -14.380 -4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.559 -15.980 -4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.291 -16.372 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.041 -16.128 -3.910 1.00 0.00 H new ATOM 309 N ALA A 26 1.942 -15.581 -0.847 1.00 0.00 N ATOM 310 CA ALA A 26 3.107 -15.909 -0.034 1.00 0.00 C ATOM 311 C ALA A 26 4.253 -16.421 -0.898 1.00 0.00 C ATOM 312 O ALA A 26 4.100 -17.389 -1.642 1.00 0.00 O ATOM 313 CB ALA A 26 2.739 -16.940 1.023 1.00 0.00 C ATOM 0 H ALA A 26 1.060 -15.948 -0.488 1.00 0.00 H new ATOM 0 HA ALA A 26 3.441 -14.998 0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.618 -17.176 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.957 -16.537 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.378 -17.846 0.537 1.00 0.00 H new ATOM 319 N GLY A 27 5.405 -15.762 -0.796 1.00 0.00 N ATOM 320 CA GLY A 27 6.562 -16.166 -1.576 1.00 0.00 C ATOM 321 C GLY A 27 6.774 -15.289 -2.793 1.00 0.00 C ATOM 322 O GLY A 27 7.902 -15.119 -3.256 1.00 0.00 O ATOM 0 H GLY A 27 5.557 -14.957 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.451 -16.130 -0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.438 -17.201 -1.895 1.00 0.00 H new ATOM 326 N VAL A 28 5.687 -14.730 -3.316 1.00 0.00 N ATOM 327 CA VAL A 28 5.760 -13.866 -4.489 1.00 0.00 C ATOM 328 C VAL A 28 5.692 -12.396 -4.093 1.00 0.00 C ATOM 329 O VAL A 28 4.913 -11.996 -3.226 1.00 0.00 O ATOM 330 CB VAL A 28 4.624 -14.172 -5.483 1.00 0.00 C ATOM 331 CG1 VAL A 28 4.700 -13.241 -6.682 1.00 0.00 C ATOM 332 CG2 VAL A 28 4.677 -15.627 -5.921 1.00 0.00 C ATOM 0 H VAL A 28 4.745 -14.860 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 28 6.717 -14.066 -4.971 1.00 0.00 H new ATOM 0 HB VAL A 28 3.670 -14.003 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.890 -13.472 -7.374 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.608 -12.208 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.657 -13.375 -7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.867 -15.825 -6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.633 -15.827 -6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.569 -16.273 -5.050 1.00 0.00 H new ATOM 342 N PRO A 29 6.526 -11.569 -4.740 1.00 0.00 N ATOM 343 CA PRO A 29 6.579 -10.129 -4.473 1.00 0.00 C ATOM 344 C PRO A 29 5.328 -9.403 -4.956 1.00 0.00 C ATOM 345 O PRO A 29 4.939 -9.523 -6.117 1.00 0.00 O ATOM 346 CB PRO A 29 7.805 -9.666 -5.265 1.00 0.00 C ATOM 347 CG PRO A 29 7.951 -10.668 -6.357 1.00 0.00 C ATOM 348 CD PRO A 29 7.482 -11.977 -5.784 1.00 0.00 C ATOM 0 HA PRO A 29 6.638 -9.915 -3.406 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.662 -8.662 -5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.694 -9.634 -4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.356 -10.387 -7.226 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.987 -10.736 -6.688 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.008 -12.601 -6.542 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.309 -12.553 -5.369 1.00 0.00 H new ATOM 356 N ALA A 30 4.702 -8.650 -4.058 1.00 0.00 N ATOM 357 CA ALA A 30 3.497 -7.902 -4.394 1.00 0.00 C ATOM 358 C ALA A 30 3.733 -6.400 -4.284 1.00 0.00 C ATOM 359 O ALA A 30 3.733 -5.841 -3.188 1.00 0.00 O ATOM 360 CB ALA A 30 2.347 -8.325 -3.492 1.00 0.00 C ATOM 0 H ALA A 30 5.010 -8.542 -3.092 1.00 0.00 H new ATOM 0 HA ALA A 30 3.236 -8.126 -5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.453 -7.759 -3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.154 -9.390 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.609 -8.130 -2.452 1.00 0.00 H new ATOM 366 N GLU A 31 3.936 -5.754 -5.427 1.00 0.00 N ATOM 367 CA GLU A 31 4.176 -4.315 -5.458 1.00 0.00 C ATOM 368 C GLU A 31 2.983 -3.577 -6.061 1.00 0.00 C ATOM 369 O GLU A 31 2.100 -4.190 -6.661 1.00 0.00 O ATOM 370 CB GLU A 31 5.440 -4.003 -6.261 1.00 0.00 C ATOM 371 CG GLU A 31 5.302 -4.281 -7.749 1.00 0.00 C ATOM 372 CD GLU A 31 5.411 -5.757 -8.080 1.00 0.00 C ATOM 373 OE1 GLU A 31 4.369 -6.446 -8.065 1.00 0.00 O ATOM 374 OE2 GLU A 31 6.536 -6.222 -8.354 1.00 0.00 O ATOM 0 H GLU A 31 3.939 -6.203 -6.343 1.00 0.00 H new ATOM 0 HA GLU A 31 4.312 -3.974 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.701 -2.954 -6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.266 -4.593 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.340 -3.905 -8.097 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.074 -3.733 -8.290 1.00 0.00 H new ATOM 381 N PHE A 32 2.965 -2.259 -5.895 1.00 0.00 N ATOM 382 CA PHE A 32 1.881 -1.438 -6.421 1.00 0.00 C ATOM 383 C PHE A 32 2.403 -0.080 -6.884 1.00 0.00 C ATOM 384 O PHE A 32 3.576 0.243 -6.695 1.00 0.00 O ATOM 385 CB PHE A 32 0.798 -1.245 -5.358 1.00 0.00 C ATOM 386 CG PHE A 32 1.345 -1.048 -3.972 1.00 0.00 C ATOM 387 CD1 PHE A 32 1.707 -2.137 -3.196 1.00 0.00 C ATOM 388 CD2 PHE A 32 1.498 0.225 -3.447 1.00 0.00 C ATOM 389 CE1 PHE A 32 2.210 -1.959 -1.921 1.00 0.00 C ATOM 390 CE2 PHE A 32 2.000 0.409 -2.174 1.00 0.00 C ATOM 391 CZ PHE A 32 2.358 -0.685 -1.410 1.00 0.00 C ATOM 0 H PHE A 32 3.688 -1.737 -5.401 1.00 0.00 H new ATOM 0 HA PHE A 32 1.451 -1.954 -7.279 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.188 -0.382 -5.625 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.140 -2.114 -5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.595 -3.136 -3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.221 1.084 -4.041 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.487 -2.816 -1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.113 1.407 -1.776 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.753 -0.544 -0.415 1.00 0.00 H new ATOM 401 N SER A 33 1.523 0.710 -7.491 1.00 0.00 N ATOM 402 CA SER A 33 1.895 2.030 -7.984 1.00 0.00 C ATOM 403 C SER A 33 1.131 3.123 -7.242 1.00 0.00 C ATOM 404 O SER A 33 -0.082 3.031 -7.056 1.00 0.00 O ATOM 405 CB SER A 33 1.621 2.132 -9.486 1.00 0.00 C ATOM 406 OG SER A 33 2.483 1.280 -10.220 1.00 0.00 O ATOM 0 H SER A 33 0.548 0.458 -7.653 1.00 0.00 H new ATOM 0 HA SER A 33 2.961 2.170 -7.805 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.583 1.867 -9.688 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.757 3.162 -9.815 1.00 0.00 H new ATOM 0 HG SER A 33 2.287 1.362 -11.177 1.00 0.00 H new ATOM 412 N ILE A 34 1.852 4.157 -6.819 1.00 0.00 N ATOM 413 CA ILE A 34 1.243 5.267 -6.098 1.00 0.00 C ATOM 414 C ILE A 34 1.338 6.561 -6.899 1.00 0.00 C ATOM 415 O ILE A 34 2.430 7.072 -7.146 1.00 0.00 O ATOM 416 CB ILE A 34 1.907 5.479 -4.725 1.00 0.00 C ATOM 417 CG1 ILE A 34 1.863 4.185 -3.909 1.00 0.00 C ATOM 418 CG2 ILE A 34 1.220 6.608 -3.972 1.00 0.00 C ATOM 419 CD1 ILE A 34 2.822 4.175 -2.738 1.00 0.00 C ATOM 0 H ILE A 34 2.858 4.248 -6.963 1.00 0.00 H new ATOM 0 HA ILE A 34 0.194 5.009 -5.950 1.00 0.00 H new ATOM 0 HB ILE A 34 2.950 5.755 -4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.849 4.033 -3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.093 3.344 -4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.701 6.745 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.297 7.530 -4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.169 6.359 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.736 3.228 -2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.842 4.296 -3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.579 4.995 -2.062 1.00 0.00 H new ATOM 549 N LEU A 44 6.363 9.598 2.465 1.00 0.00 N ATOM 550 CA LEU A 44 5.601 8.354 2.416 1.00 0.00 C ATOM 551 C LEU A 44 6.232 7.293 3.310 1.00 0.00 C ATOM 552 O LEU A 44 7.338 6.822 3.048 1.00 0.00 O ATOM 553 CB LEU A 44 5.519 7.841 0.976 1.00 0.00 C ATOM 554 CG LEU A 44 4.351 8.368 0.141 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.505 7.953 -1.313 1.00 0.00 C ATOM 556 CD2 LEU A 44 3.028 7.870 0.704 1.00 0.00 C ATOM 0 HA LEU A 44 4.595 8.558 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.448 8.097 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.459 6.753 1.002 1.00 0.00 H new ATOM 0 HG LEU A 44 4.356 9.457 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.665 8.337 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.435 8.359 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.525 6.865 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.207 8.254 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.012 6.780 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.915 8.218 1.731 1.00 0.00 H new ATOM 568 N SER A 45 5.519 6.918 4.368 1.00 0.00 N ATOM 569 CA SER A 45 6.009 5.912 5.304 1.00 0.00 C ATOM 570 C SER A 45 5.240 4.605 5.148 1.00 0.00 C ATOM 571 O SER A 45 4.070 4.512 5.523 1.00 0.00 O ATOM 572 CB SER A 45 5.888 6.421 6.742 1.00 0.00 C ATOM 573 OG SER A 45 6.924 7.338 7.048 1.00 0.00 O ATOM 0 H SER A 45 4.600 7.296 4.598 1.00 0.00 H new ATOM 0 HA SER A 45 7.059 5.724 5.080 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.920 6.902 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.927 5.579 7.433 1.00 0.00 H new ATOM 0 HG SER A 45 6.823 7.649 7.972 1.00 0.00 H new ATOM 579 N ILE A 46 5.904 3.597 4.593 1.00 0.00 N ATOM 580 CA ILE A 46 5.284 2.294 4.388 1.00 0.00 C ATOM 581 C ILE A 46 5.908 1.240 5.296 1.00 0.00 C ATOM 582 O ILE A 46 7.125 1.059 5.309 1.00 0.00 O ATOM 583 CB ILE A 46 5.410 1.834 2.924 1.00 0.00 C ATOM 584 CG1 ILE A 46 4.702 2.821 1.994 1.00 0.00 C ATOM 585 CG2 ILE A 46 4.836 0.435 2.756 1.00 0.00 C ATOM 586 CD1 ILE A 46 5.177 2.747 0.560 1.00 0.00 C ATOM 0 H ILE A 46 6.872 3.658 4.277 1.00 0.00 H new ATOM 0 HA ILE A 46 4.228 2.405 4.635 1.00 0.00 H new ATOM 0 HB ILE A 46 6.467 1.806 2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.629 2.630 2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.856 3.834 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.933 0.125 1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.380 -0.261 3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.783 0.438 3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.632 3.474 -0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.244 2.968 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.998 1.745 0.169 1.00 0.00 H new ATOM 598 N ALA A 47 5.065 0.544 6.053 1.00 0.00 N ATOM 599 CA ALA A 47 5.533 -0.496 6.960 1.00 0.00 C ATOM 600 C ALA A 47 4.630 -1.723 6.902 1.00 0.00 C ATOM 601 O ALA A 47 3.487 -1.688 7.356 1.00 0.00 O ATOM 602 CB ALA A 47 5.608 0.040 8.382 1.00 0.00 C ATOM 0 H ALA A 47 4.054 0.682 6.055 1.00 0.00 H new ATOM 0 HA ALA A 47 6.531 -0.798 6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.959 -0.747 9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.300 0.881 8.418 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.619 0.370 8.699 1.00 0.00 H new ATOM 608 N VAL A 48 5.151 -2.809 6.337 1.00 0.00 N ATOM 609 CA VAL A 48 4.392 -4.047 6.220 1.00 0.00 C ATOM 610 C VAL A 48 4.449 -4.852 7.514 1.00 0.00 C ATOM 611 O VAL A 48 5.527 -5.209 7.986 1.00 0.00 O ATOM 612 CB VAL A 48 4.917 -4.919 5.063 1.00 0.00 C ATOM 613 CG1 VAL A 48 4.073 -6.176 4.916 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.936 -4.126 3.765 1.00 0.00 C ATOM 0 H VAL A 48 6.095 -2.855 5.954 1.00 0.00 H new ATOM 0 HA VAL A 48 3.359 -3.767 6.015 1.00 0.00 H new ATOM 0 HB VAL A 48 5.939 -5.221 5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.459 -6.779 4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.115 -6.753 5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.040 -5.898 4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.309 -4.757 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.926 -3.793 3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.587 -3.259 3.878 1.00 0.00 H new ATOM 624 N GLU A 49 3.279 -5.133 8.080 1.00 0.00 N ATOM 625 CA GLU A 49 3.197 -5.897 9.321 1.00 0.00 C ATOM 626 C GLU A 49 2.167 -7.016 9.203 1.00 0.00 C ATOM 627 O GLU A 49 0.995 -6.769 8.924 1.00 0.00 O ATOM 628 CB GLU A 49 2.835 -4.976 10.488 1.00 0.00 C ATOM 629 CG GLU A 49 3.833 -3.851 10.709 1.00 0.00 C ATOM 630 CD GLU A 49 3.281 -2.747 11.590 1.00 0.00 C ATOM 631 OE1 GLU A 49 2.241 -2.161 11.225 1.00 0.00 O ATOM 632 OE2 GLU A 49 3.891 -2.470 12.644 1.00 0.00 O ATOM 0 H GLU A 49 2.377 -4.844 7.701 1.00 0.00 H new ATOM 0 HA GLU A 49 4.173 -6.344 9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.850 -4.546 10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.762 -5.570 11.399 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.737 -4.256 11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.122 -3.432 9.745 1.00 0.00 H new ATOM 639 N GLY A 50 2.615 -8.249 9.419 1.00 0.00 N ATOM 640 CA GLY A 50 1.720 -9.389 9.332 1.00 0.00 C ATOM 641 C GLY A 50 2.090 -10.492 10.303 1.00 0.00 C ATOM 642 O GLY A 50 2.827 -10.279 11.266 1.00 0.00 O ATOM 0 H GLY A 50 3.581 -8.479 9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.699 -9.062 9.531 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.736 -9.783 8.316 1.00 0.00 H new ATOM 646 N PRO A 51 1.572 -11.704 10.054 1.00 0.00 N ATOM 647 CA PRO A 51 1.838 -12.869 10.903 1.00 0.00 C ATOM 648 C PRO A 51 3.279 -13.353 10.787 1.00 0.00 C ATOM 649 O PRO A 51 3.718 -14.213 11.551 1.00 0.00 O ATOM 650 CB PRO A 51 0.873 -13.928 10.365 1.00 0.00 C ATOM 651 CG PRO A 51 0.627 -13.532 8.950 1.00 0.00 C ATOM 652 CD PRO A 51 0.686 -12.030 8.924 1.00 0.00 C ATOM 0 HA PRO A 51 1.698 -12.644 11.960 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.306 -14.926 10.427 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.054 -13.946 10.938 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.378 -13.964 8.288 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.344 -13.890 8.608 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.086 -11.660 7.980 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.302 -11.587 9.047 1.00 0.00 H new ATOM 660 N SER A 52 4.011 -12.795 9.828 1.00 0.00 N ATOM 661 CA SER A 52 5.402 -13.174 9.610 1.00 0.00 C ATOM 662 C SER A 52 6.194 -12.013 9.014 1.00 0.00 C ATOM 663 O SER A 52 5.620 -11.054 8.498 1.00 0.00 O ATOM 664 CB SER A 52 5.484 -14.389 8.684 1.00 0.00 C ATOM 665 OG SER A 52 5.024 -15.559 9.337 1.00 0.00 O ATOM 0 H SER A 52 3.664 -12.079 9.190 1.00 0.00 H new ATOM 0 HA SER A 52 5.837 -13.432 10.575 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.888 -14.209 7.790 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.514 -14.532 8.357 1.00 0.00 H new ATOM 0 HG SER A 52 4.663 -15.322 10.217 1.00 0.00 H new ATOM 671 N LYS A 53 7.517 -12.107 9.092 1.00 0.00 N ATOM 672 CA LYS A 53 8.391 -11.066 8.561 1.00 0.00 C ATOM 673 C LYS A 53 8.160 -10.874 7.065 1.00 0.00 C ATOM 674 O LYS A 53 7.979 -11.840 6.326 1.00 0.00 O ATOM 675 CB LYS A 53 9.857 -11.422 8.820 1.00 0.00 C ATOM 676 CG LYS A 53 10.795 -10.231 8.735 1.00 0.00 C ATOM 677 CD LYS A 53 12.220 -10.664 8.436 1.00 0.00 C ATOM 678 CE LYS A 53 12.392 -11.045 6.973 1.00 0.00 C ATOM 679 NZ LYS A 53 13.799 -10.872 6.516 1.00 0.00 N ATOM 0 H LYS A 53 8.008 -12.893 9.518 1.00 0.00 H new ATOM 0 HA LYS A 53 8.155 -10.132 9.071 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.944 -11.873 9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.173 -12.175 8.098 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.450 -9.550 7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.771 -9.680 9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.907 -9.855 8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.484 -11.513 9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.089 -12.082 6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.733 -10.432 6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.874 -11.142 5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.081 -9.877 6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.426 -11.476 7.085 1.00 0.00 H new ATOM 693 N ALA A 54 8.167 -9.619 6.627 1.00 0.00 N ATOM 694 CA ALA A 54 7.962 -9.300 5.220 1.00 0.00 C ATOM 695 C ALA A 54 9.059 -8.376 4.700 1.00 0.00 C ATOM 696 O ALA A 54 9.440 -7.416 5.367 1.00 0.00 O ATOM 697 CB ALA A 54 6.595 -8.664 5.017 1.00 0.00 C ATOM 0 H ALA A 54 8.312 -8.807 7.227 1.00 0.00 H new ATOM 0 HA ALA A 54 8.007 -10.230 4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.455 -8.431 3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.819 -9.358 5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.530 -7.747 5.603 1.00 0.00 H new ATOM 703 N GLU A 55 9.563 -8.676 3.508 1.00 0.00 N ATOM 704 CA GLU A 55 10.617 -7.873 2.900 1.00 0.00 C ATOM 705 C GLU A 55 10.034 -6.654 2.192 1.00 0.00 C ATOM 706 O GLU A 55 8.877 -6.664 1.770 1.00 0.00 O ATOM 707 CB GLU A 55 11.424 -8.715 1.910 1.00 0.00 C ATOM 708 CG GLU A 55 12.843 -8.214 1.700 1.00 0.00 C ATOM 709 CD GLU A 55 13.797 -9.318 1.289 1.00 0.00 C ATOM 710 OE1 GLU A 55 13.647 -9.842 0.165 1.00 0.00 O ATOM 711 OE2 GLU A 55 14.692 -9.659 2.089 1.00 0.00 O ATOM 0 H GLU A 55 9.259 -9.469 2.944 1.00 0.00 H new ATOM 0 HA GLU A 55 11.278 -7.527 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.460 -9.744 2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.907 -8.728 0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.841 -7.438 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.202 -7.753 2.620 1.00 0.00 H new ATOM 718 N ILE A 56 10.841 -5.607 2.066 1.00 0.00 N ATOM 719 CA ILE A 56 10.406 -4.381 1.409 1.00 0.00 C ATOM 720 C ILE A 56 11.532 -3.772 0.581 1.00 0.00 C ATOM 721 O ILE A 56 12.591 -3.430 1.107 1.00 0.00 O ATOM 722 CB ILE A 56 9.913 -3.339 2.430 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.797 -3.929 3.295 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.431 -2.085 1.716 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.650 -3.250 4.638 1.00 0.00 C ATOM 0 H ILE A 56 11.801 -5.583 2.411 1.00 0.00 H new ATOM 0 HA ILE A 56 9.580 -4.652 0.751 1.00 0.00 H new ATOM 0 HB ILE A 56 10.745 -3.066 3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.853 -3.856 2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.993 -4.990 3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.086 -1.358 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.251 -1.657 1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.611 -2.341 1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.841 -3.720 5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.580 -3.345 5.198 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.423 -2.194 4.489 1.00 0.00 H new ATOM 737 N THR A 57 11.295 -3.635 -0.721 1.00 0.00 N ATOM 738 CA THR A 57 12.288 -3.066 -1.623 1.00 0.00 C ATOM 739 C THR A 57 11.810 -1.738 -2.199 1.00 0.00 C ATOM 740 O THR A 57 10.876 -1.698 -3.000 1.00 0.00 O ATOM 741 CB THR A 57 12.613 -4.028 -2.781 1.00 0.00 C ATOM 742 OG1 THR A 57 12.986 -5.310 -2.262 1.00 0.00 O ATOM 743 CG2 THR A 57 13.738 -3.477 -3.643 1.00 0.00 C ATOM 0 H THR A 57 10.423 -3.911 -1.173 1.00 0.00 H new ATOM 0 HA THR A 57 13.191 -2.900 -1.035 1.00 0.00 H new ATOM 0 HB THR A 57 11.721 -4.132 -3.399 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.190 -5.917 -3.004 1.00 0.00 H new ATOM 0 HG21 THR A 57 13.950 -4.174 -4.454 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.439 -2.515 -4.060 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.633 -3.347 -3.034 1.00 0.00 H new ATOM 884 N VAL A 68 6.707 0.447 -4.810 1.00 0.00 N ATOM 885 CA VAL A 68 7.086 -0.285 -3.607 1.00 0.00 C ATOM 886 C VAL A 68 6.724 -1.761 -3.725 1.00 0.00 C ATOM 887 O VAL A 68 5.589 -2.107 -4.055 1.00 0.00 O ATOM 888 CB VAL A 68 6.406 0.301 -2.355 1.00 0.00 C ATOM 889 CG1 VAL A 68 6.822 -0.469 -1.112 1.00 0.00 C ATOM 890 CG2 VAL A 68 6.736 1.779 -2.212 1.00 0.00 C ATOM 0 HA VAL A 68 8.167 -0.186 -3.504 1.00 0.00 H new ATOM 0 HB VAL A 68 5.326 0.203 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.332 -0.041 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.530 -1.514 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.903 -0.405 -0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.247 2.176 -1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.815 1.904 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.383 2.317 -3.091 1.00 0.00 H new ATOM 900 N SER A 69 7.694 -2.627 -3.453 1.00 0.00 N ATOM 901 CA SER A 69 7.478 -4.067 -3.531 1.00 0.00 C ATOM 902 C SER A 69 7.752 -4.732 -2.186 1.00 0.00 C ATOM 903 O SER A 69 8.597 -4.275 -1.416 1.00 0.00 O ATOM 904 CB SER A 69 8.376 -4.680 -4.608 1.00 0.00 C ATOM 905 OG SER A 69 9.666 -4.964 -4.095 1.00 0.00 O ATOM 0 H SER A 69 8.638 -2.357 -3.176 1.00 0.00 H new ATOM 0 HA SER A 69 6.435 -4.239 -3.795 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.922 -5.596 -4.987 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.459 -3.994 -5.451 1.00 0.00 H new ATOM 0 HG SER A 69 10.325 -4.906 -4.818 1.00 0.00 H new ATOM 911 N TYR A 70 7.030 -5.813 -1.910 1.00 0.00 N ATOM 912 CA TYR A 70 7.192 -6.541 -0.657 1.00 0.00 C ATOM 913 C TYR A 70 6.847 -8.016 -0.835 1.00 0.00 C ATOM 914 O TYR A 70 5.944 -8.367 -1.595 1.00 0.00 O ATOM 915 CB TYR A 70 6.310 -5.926 0.431 1.00 0.00 C ATOM 916 CG TYR A 70 4.865 -6.366 0.359 1.00 0.00 C ATOM 917 CD1 TYR A 70 4.446 -7.544 0.966 1.00 0.00 C ATOM 918 CD2 TYR A 70 3.919 -5.606 -0.316 1.00 0.00 C ATOM 919 CE1 TYR A 70 3.127 -7.950 0.902 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.598 -6.003 -0.385 1.00 0.00 C ATOM 921 CZ TYR A 70 2.207 -7.177 0.226 1.00 0.00 C ATOM 922 OH TYR A 70 0.893 -7.577 0.160 1.00 0.00 O ATOM 0 H TYR A 70 6.327 -6.204 -2.537 1.00 0.00 H new ATOM 0 HA TYR A 70 8.236 -6.466 -0.354 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.714 -6.192 1.408 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.355 -4.840 0.352 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.164 -8.152 1.497 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.222 -4.687 -0.796 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.818 -8.868 1.379 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.876 -5.399 -0.914 1.00 0.00 H new ATOM 0 HH TYR A 70 0.337 -6.825 -0.133 1.00 0.00 H new ATOM 932 N ILE A 71 7.572 -8.876 -0.128 1.00 0.00 N ATOM 933 CA ILE A 71 7.343 -10.313 -0.206 1.00 0.00 C ATOM 934 C ILE A 71 6.972 -10.885 1.158 1.00 0.00 C ATOM 935 O ILE A 71 7.482 -10.443 2.188 1.00 0.00 O ATOM 936 CB ILE A 71 8.583 -11.053 -0.741 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.782 -10.752 -2.228 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.446 -12.552 -0.512 1.00 0.00 C ATOM 939 CD1 ILE A 71 10.152 -11.135 -2.744 1.00 0.00 C ATOM 0 H ILE A 71 8.323 -8.602 0.505 1.00 0.00 H new ATOM 0 HA ILE A 71 6.514 -10.463 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 71 9.460 -10.701 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.024 -11.284 -2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.623 -9.687 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.330 -13.061 -0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.348 -12.750 0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.561 -12.920 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.222 -10.893 -3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.915 -10.583 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.307 -12.205 -2.605 1.00 0.00 H new ATOM 951 N ALA A 72 6.083 -11.873 1.158 1.00 0.00 N ATOM 952 CA ALA A 72 5.647 -12.508 2.395 1.00 0.00 C ATOM 953 C ALA A 72 6.001 -13.992 2.404 1.00 0.00 C ATOM 954 O ALA A 72 5.347 -14.799 1.743 1.00 0.00 O ATOM 955 CB ALA A 72 4.150 -12.320 2.586 1.00 0.00 C ATOM 0 H ALA A 72 5.651 -12.251 0.315 1.00 0.00 H new ATOM 0 HA ALA A 72 6.170 -12.031 3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.839 -12.800 3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.920 -11.256 2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.617 -12.770 1.748 1.00 0.00 H new ATOM 961 N GLN A 73 7.039 -14.344 3.156 1.00 0.00 N ATOM 962 CA GLN A 73 7.479 -15.731 3.248 1.00 0.00 C ATOM 963 C GLN A 73 6.325 -16.643 3.654 1.00 0.00 C ATOM 964 O GLN A 73 6.178 -17.745 3.128 1.00 0.00 O ATOM 965 CB GLN A 73 8.624 -15.858 4.255 1.00 0.00 C ATOM 966 CG GLN A 73 9.977 -15.461 3.690 1.00 0.00 C ATOM 967 CD GLN A 73 10.301 -16.174 2.392 1.00 0.00 C ATOM 968 OE1 GLN A 73 10.655 -17.353 2.389 1.00 0.00 O ATOM 969 NE2 GLN A 73 10.179 -15.461 1.278 1.00 0.00 N ATOM 0 H GLN A 73 7.590 -13.689 3.710 1.00 0.00 H new ATOM 0 HA GLN A 73 7.833 -16.040 2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.405 -15.235 5.122 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.675 -16.888 4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.994 -14.384 3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.752 -15.682 4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.883 -14.486 1.326 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.382 -15.888 0.374 1.00 0.00 H new ATOM 978 N GLU A 74 5.510 -16.174 4.594 1.00 0.00 N ATOM 979 CA GLU A 74 4.370 -16.949 5.071 1.00 0.00 C ATOM 980 C GLU A 74 3.055 -16.287 4.666 1.00 0.00 C ATOM 981 O GLU A 74 2.934 -15.063 4.625 1.00 0.00 O ATOM 982 CB GLU A 74 4.429 -17.101 6.592 1.00 0.00 C ATOM 983 CG GLU A 74 5.776 -17.583 7.103 1.00 0.00 C ATOM 984 CD GLU A 74 5.679 -18.258 8.457 1.00 0.00 C ATOM 985 OE1 GLU A 74 4.688 -18.982 8.690 1.00 0.00 O ATOM 986 OE2 GLU A 74 6.594 -18.063 9.285 1.00 0.00 O ATOM 0 H GLU A 74 5.618 -15.263 5.040 1.00 0.00 H new ATOM 0 HA GLU A 74 4.417 -17.937 4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.197 -16.141 7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.657 -17.803 6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.205 -18.280 6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.459 -16.736 7.172 1.00 0.00 H new ATOM 993 N PRO A 75 2.047 -17.117 4.359 1.00 0.00 N ATOM 994 CA PRO A 75 0.723 -16.636 3.951 1.00 0.00 C ATOM 995 C PRO A 75 -0.035 -15.981 5.101 1.00 0.00 C ATOM 996 O PRO A 75 0.191 -16.300 6.268 1.00 0.00 O ATOM 997 CB PRO A 75 0.008 -17.911 3.496 1.00 0.00 C ATOM 998 CG PRO A 75 0.686 -19.011 4.237 1.00 0.00 C ATOM 999 CD PRO A 75 2.121 -18.587 4.387 1.00 0.00 C ATOM 0 HA PRO A 75 0.787 -15.869 3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.056 -17.873 3.730 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.093 -18.049 2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.222 -19.169 5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.612 -19.952 3.692 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.552 -18.950 5.320 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.741 -18.974 3.578 1.00 0.00 H new ATOM 1007 N GLY A 76 -0.937 -15.064 4.764 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.716 -14.380 5.779 1.00 0.00 C ATOM 1009 C GLY A 76 -2.118 -12.982 5.356 1.00 0.00 C ATOM 1010 O GLY A 76 -1.789 -12.540 4.257 1.00 0.00 O ATOM 0 H GLY A 76 -1.142 -14.783 3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.611 -14.961 5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.137 -14.325 6.701 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.834 -12.283 6.231 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.284 -10.927 5.942 1.00 0.00 C ATOM 1016 C ASN A 77 -2.257 -9.900 6.410 1.00 0.00 C ATOM 1017 O ASN A 77 -2.226 -9.527 7.582 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.632 -10.659 6.617 1.00 0.00 C ATOM 1019 CG ASN A 77 -5.670 -11.708 6.269 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -5.343 -12.876 6.055 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -6.932 -11.295 6.209 1.00 0.00 N ATOM 0 H ASN A 77 -3.115 -12.634 7.147 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.400 -10.833 4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.495 -10.632 7.698 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.997 -9.677 6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.674 -11.955 5.978 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.158 -10.318 6.394 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.417 -9.448 5.485 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.387 -8.467 5.803 1.00 0.00 C ATOM 1030 C TYR A 78 -0.952 -7.052 5.762 1.00 0.00 C ATOM 1031 O TYR A 78 -1.329 -6.553 4.702 1.00 0.00 O ATOM 1032 CB TYR A 78 0.782 -8.590 4.824 1.00 0.00 C ATOM 1033 CG TYR A 78 1.651 -9.805 5.067 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.231 -11.071 4.681 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.891 -9.684 5.681 1.00 0.00 C ATOM 1036 CE1 TYR A 78 2.020 -12.183 4.902 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.687 -10.791 5.905 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.247 -12.038 5.514 1.00 0.00 C ATOM 1039 OH TYR A 78 4.037 -13.143 5.734 1.00 0.00 O ATOM 0 H TYR A 78 -1.430 -9.745 4.509 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.030 -8.667 6.813 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.391 -8.631 3.807 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.398 -7.693 4.892 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.271 -11.188 4.200 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.239 -8.709 5.988 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.678 -13.161 4.597 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.649 -10.680 6.384 1.00 0.00 H new ATOM 0 HH TYR A 78 3.491 -13.954 5.666 1.00 0.00 H new ATOM 1049 N GLU A 79 -1.008 -6.409 6.924 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.527 -5.049 7.021 1.00 0.00 C ATOM 1051 C GLU A 79 -0.431 -4.027 6.733 1.00 0.00 C ATOM 1052 O GLU A 79 0.440 -3.782 7.566 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.116 -4.803 8.412 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.244 -3.786 8.423 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.448 -3.156 9.788 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.489 -2.547 10.309 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.564 -3.273 10.335 1.00 0.00 O ATOM 0 H GLU A 79 -0.701 -6.807 7.811 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.313 -4.933 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.485 -5.747 8.813 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.323 -4.462 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.030 -3.004 7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.168 -4.271 8.109 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.484 -3.433 5.544 1.00 0.00 N ATOM 1065 CA VAL A 80 0.502 -2.436 5.144 1.00 0.00 C ATOM 1066 C VAL A 80 0.117 -1.050 5.646 1.00 0.00 C ATOM 1067 O VAL A 80 -0.919 -0.505 5.262 1.00 0.00 O ATOM 1068 CB VAL A 80 0.665 -2.390 3.613 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.805 -1.462 3.224 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.891 -3.789 3.059 1.00 0.00 C ATOM 0 H VAL A 80 -1.199 -3.625 4.842 1.00 0.00 H new ATOM 0 HA VAL A 80 1.450 -2.731 5.593 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.254 -1.997 3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.904 -1.443 2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.595 -0.456 3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.734 -1.821 3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.004 -3.738 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.794 -4.213 3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.037 -4.420 3.305 1.00 0.00 H new ATOM 1080 N SER A 81 0.957 -0.482 6.505 1.00 0.00 N ATOM 1081 CA SER A 81 0.703 0.841 7.062 1.00 0.00 C ATOM 1082 C SER A 81 1.310 1.929 6.180 1.00 0.00 C ATOM 1083 O SER A 81 2.515 1.934 5.925 1.00 0.00 O ATOM 1084 CB SER A 81 1.272 0.940 8.478 1.00 0.00 C ATOM 1085 OG SER A 81 2.406 0.103 8.631 1.00 0.00 O ATOM 0 H SER A 81 1.820 -0.918 6.830 1.00 0.00 H new ATOM 0 HA SER A 81 -0.376 0.990 7.101 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.547 1.973 8.692 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.507 0.658 9.201 1.00 0.00 H new ATOM 0 HG SER A 81 2.856 0.000 7.766 1.00 0.00 H new ATOM 1091 N ILE A 82 0.467 2.846 5.719 1.00 0.00 N ATOM 1092 CA ILE A 82 0.922 3.939 4.867 1.00 0.00 C ATOM 1093 C ILE A 82 0.616 5.292 5.500 1.00 0.00 C ATOM 1094 O ILE A 82 -0.523 5.572 5.874 1.00 0.00 O ATOM 1095 CB ILE A 82 0.266 3.876 3.475 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.640 2.570 2.770 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.686 5.075 2.637 1.00 0.00 C ATOM 1098 CD1 ILE A 82 -0.040 2.391 1.431 1.00 0.00 C ATOM 0 H ILE A 82 -0.533 2.855 5.920 1.00 0.00 H new ATOM 0 HA ILE A 82 2.001 3.827 4.757 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.817 3.904 3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.720 2.540 2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.381 1.731 3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.214 5.016 1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.375 5.994 3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.770 5.075 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.271 1.445 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.121 2.389 1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.239 3.210 0.769 1.00 0.00 H new ATOM 1110 N LYS A 83 1.641 6.130 5.614 1.00 0.00 N ATOM 1111 CA LYS A 83 1.484 7.457 6.199 1.00 0.00 C ATOM 1112 C LYS A 83 2.080 8.526 5.288 1.00 0.00 C ATOM 1113 O LYS A 83 3.275 8.508 4.992 1.00 0.00 O ATOM 1114 CB LYS A 83 2.151 7.513 7.575 1.00 0.00 C ATOM 1115 CG LYS A 83 1.249 7.054 8.708 1.00 0.00 C ATOM 1116 CD LYS A 83 1.591 7.755 10.011 1.00 0.00 C ATOM 1117 CE LYS A 83 2.657 6.997 10.788 1.00 0.00 C ATOM 1118 NZ LYS A 83 3.240 7.824 11.882 1.00 0.00 N ATOM 0 H LYS A 83 2.590 5.914 5.309 1.00 0.00 H new ATOM 0 HA LYS A 83 0.418 7.654 6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.047 6.892 7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.475 8.535 7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.209 7.252 8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.346 5.976 8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.942 8.765 9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.693 7.850 10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.223 6.090 11.210 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.449 6.684 10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.962 7.272 12.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.677 8.677 11.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.489 8.101 12.546 1.00 0.00 H new ATOM 1132 N PHE A 84 1.239 9.458 4.850 1.00 0.00 N ATOM 1133 CA PHE A 84 1.684 10.535 3.974 1.00 0.00 C ATOM 1134 C PHE A 84 1.981 11.800 4.774 1.00 0.00 C ATOM 1135 O PHE A 84 1.160 12.247 5.574 1.00 0.00 O ATOM 1136 CB PHE A 84 0.623 10.828 2.911 1.00 0.00 C ATOM 1137 CG PHE A 84 1.100 11.750 1.825 1.00 0.00 C ATOM 1138 CD1 PHE A 84 2.158 11.390 1.008 1.00 0.00 C ATOM 1139 CD2 PHE A 84 0.488 12.977 1.622 1.00 0.00 C ATOM 1140 CE1 PHE A 84 2.600 12.236 0.009 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.925 13.827 0.623 1.00 0.00 C ATOM 1142 CZ PHE A 84 1.981 13.456 -0.184 1.00 0.00 C ATOM 0 H PHE A 84 0.247 9.489 5.087 1.00 0.00 H new ATOM 0 HA PHE A 84 2.602 10.213 3.482 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.300 9.888 2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.250 11.268 3.393 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.644 10.436 1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.339 13.272 2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.428 11.944 -0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.440 14.781 0.474 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.323 14.118 -0.965 1.00 0.00 H new ATOM 1152 N ASN A 85 3.160 12.372 4.553 1.00 0.00 N ATOM 1153 CA ASN A 85 3.566 13.583 5.254 1.00 0.00 C ATOM 1154 C ASN A 85 3.224 13.494 6.738 1.00 0.00 C ATOM 1155 O ASN A 85 2.867 14.493 7.364 1.00 0.00 O ATOM 1156 CB ASN A 85 2.888 14.807 4.635 1.00 0.00 C ATOM 1157 CG ASN A 85 1.379 14.766 4.780 1.00 0.00 C ATOM 1158 OD1 ASN A 85 0.854 14.617 5.882 1.00 0.00 O ATOM 1159 ND2 ASN A 85 0.674 14.899 3.662 1.00 0.00 N ATOM 0 H ASN A 85 3.851 12.015 3.893 1.00 0.00 H new ATOM 0 HA ASN A 85 4.647 13.685 5.155 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.272 15.710 5.109 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.147 14.867 3.578 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.345 14.880 3.696 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.152 15.021 2.769 1.00 0.00 H new ATOM 1166 N ASP A 86 3.334 12.292 7.294 1.00 0.00 N ATOM 1167 CA ASP A 86 3.039 12.073 8.705 1.00 0.00 C ATOM 1168 C ASP A 86 1.537 12.147 8.963 1.00 0.00 C ATOM 1169 O ASP A 86 1.095 12.751 9.939 1.00 0.00 O ATOM 1170 CB ASP A 86 3.769 13.103 9.568 1.00 0.00 C ATOM 1171 CG ASP A 86 4.044 12.594 10.969 1.00 0.00 C ATOM 1172 OD1 ASP A 86 3.098 12.554 11.783 1.00 0.00 O ATOM 1173 OD2 ASP A 86 5.205 12.233 11.251 1.00 0.00 O ATOM 0 H ASP A 86 3.625 11.455 6.789 1.00 0.00 H new ATOM 0 HA ASP A 86 3.387 11.076 8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.712 13.370 9.090 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.172 14.013 9.626 1.00 0.00 H new ATOM 1178 N GLU A 87 0.758 11.529 8.080 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.694 11.527 8.211 1.00 0.00 C ATOM 1180 C GLU A 87 -1.284 10.211 7.712 1.00 0.00 C ATOM 1181 O GLU A 87 -0.860 9.677 6.687 1.00 0.00 O ATOM 1182 CB GLU A 87 -1.300 12.698 7.435 1.00 0.00 C ATOM 1183 CG GLU A 87 -1.383 13.984 8.241 1.00 0.00 C ATOM 1184 CD GLU A 87 -2.001 15.125 7.455 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -3.206 15.042 7.139 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -1.280 16.099 7.156 1.00 0.00 O ATOM 0 H GLU A 87 1.109 11.023 7.266 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.938 11.636 9.268 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.704 12.878 6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.301 12.423 7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.971 13.807 9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.383 14.271 8.565 1.00 0.00 H new ATOM 1193 N HIS A 88 -2.265 9.694 8.445 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.915 8.441 8.077 1.00 0.00 C ATOM 1195 C HIS A 88 -4.032 8.684 7.067 1.00 0.00 C ATOM 1196 O HIS A 88 -5.126 9.117 7.431 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.475 7.749 9.320 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.553 6.723 9.902 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -1.551 6.844 10.805 1.00 0.00 N flip ATOM 1200 CD2 HIS A 88 -2.602 5.387 9.562 1.00 0.00 C flip ATOM 1201 CE1 HIS A 88 -1.020 5.592 10.994 1.00 0.00 C flip ATOM 1202 NE2 HIS A 88 -1.671 4.731 10.232 1.00 0.00 N flip ATOM 0 H HIS A 88 -2.627 10.123 9.297 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.168 7.794 7.616 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.692 8.502 10.078 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.421 7.272 9.065 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.293 4.946 8.859 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -0.203 5.350 11.658 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.486 3.730 10.171 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.750 8.404 5.800 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.731 8.592 4.739 1.00 0.00 C ATOM 1212 C ILE A 89 -5.994 7.781 5.009 1.00 0.00 C ATOM 1213 O ILE A 89 -5.977 6.777 5.720 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.160 8.191 3.366 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.478 6.824 3.453 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.183 9.246 2.869 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.982 6.310 2.120 1.00 0.00 C ATOM 0 H ILE A 89 -2.849 8.046 5.483 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.980 9.653 4.723 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.982 8.122 2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.637 6.890 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.180 6.103 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.788 8.948 1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.697 10.202 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.362 9.345 3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.510 5.337 2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.822 6.211 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.256 7.010 1.707 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.118 8.224 4.425 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.411 7.554 4.585 1.00 0.00 C ATOM 1231 C PRO A 90 -8.457 6.205 3.874 1.00 0.00 C ATOM 1232 O PRO A 90 -9.502 5.558 3.818 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.400 8.529 3.944 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.587 9.303 2.964 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.212 9.414 3.563 1.00 0.00 C ATOM 0 HA PRO A 90 -8.627 7.333 5.630 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.215 7.999 3.451 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.850 9.184 4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.553 8.797 1.999 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.018 10.289 2.791 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.438 9.416 2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.096 10.335 4.135 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.317 5.787 3.333 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.228 4.516 2.625 1.00 0.00 C ATOM 1245 C GLU A 91 -6.282 3.558 3.343 1.00 0.00 C ATOM 1246 O GLU A 91 -6.235 2.367 3.035 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.753 4.738 1.188 1.00 0.00 C ATOM 1248 CG GLU A 91 -7.788 5.412 0.302 1.00 0.00 C ATOM 1249 CD GLU A 91 -8.961 4.505 -0.017 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -8.757 3.499 -0.729 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -10.083 4.800 0.445 1.00 0.00 O ATOM 0 H GLU A 91 -6.442 6.310 3.372 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.223 4.071 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.849 5.346 1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.483 3.777 0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.153 6.312 0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.315 5.728 -0.627 1.00 0.00 H new ATOM 1258 N SER A 92 -5.527 4.088 4.300 1.00 0.00 N ATOM 1259 CA SER A 92 -4.577 3.282 5.059 1.00 0.00 C ATOM 1260 C SER A 92 -5.026 3.137 6.510 1.00 0.00 C ATOM 1261 O SER A 92 -5.775 3.959 7.040 1.00 0.00 O ATOM 1262 CB SER A 92 -3.184 3.912 5.005 1.00 0.00 C ATOM 1263 OG SER A 92 -2.978 4.788 6.099 1.00 0.00 O ATOM 0 H SER A 92 -5.554 5.072 4.568 1.00 0.00 H new ATOM 0 HA SER A 92 -4.537 2.290 4.608 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.426 3.128 5.015 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.065 4.459 4.070 1.00 0.00 H new ATOM 0 HG SER A 92 -2.245 5.405 5.891 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.557 2.068 7.170 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.666 1.084 6.548 1.00 0.00 C ATOM 1271 C PRO A 93 -4.375 0.244 5.492 1.00 0.00 C ATOM 1272 O PRO A 93 -5.565 0.428 5.236 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.232 0.206 7.725 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.331 0.337 8.721 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.862 1.736 8.571 1.00 0.00 C ATOM 0 HA PRO A 93 -2.838 1.560 6.023 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.098 -0.831 7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.281 0.541 8.139 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.114 -0.399 8.537 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.963 0.166 9.733 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.932 1.783 8.771 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.378 2.426 9.262 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.637 -0.677 4.881 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.196 -1.544 3.851 1.00 0.00 C ATOM 1285 C TYR A 94 -4.216 -2.997 4.313 1.00 0.00 C ATOM 1286 O TYR A 94 -3.375 -3.420 5.107 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.388 -1.419 2.557 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.471 -0.049 1.922 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.036 1.081 2.602 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -3.981 0.114 0.640 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.111 2.335 2.027 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.058 1.363 0.055 1.00 0.00 C ATOM 1293 CZ TYR A 94 -3.622 2.470 0.752 1.00 0.00 C ATOM 1294 OH TYR A 94 -3.695 3.717 0.173 1.00 0.00 O ATOM 0 H TYR A 94 -2.651 -0.842 5.081 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.222 -1.228 3.663 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.344 -1.651 2.767 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.742 -2.163 1.844 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.632 0.978 3.598 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.323 -0.751 0.091 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.772 3.204 2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.457 1.472 -0.943 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.796 4.103 0.113 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.182 -3.758 3.809 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.312 -5.167 4.168 1.00 0.00 C ATOM 1306 C LEU A 95 -5.192 -6.056 2.935 1.00 0.00 C ATOM 1307 O LEU A 95 -6.125 -6.160 2.138 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.653 -5.414 4.862 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.837 -6.795 5.492 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.610 -7.181 6.302 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -8.085 -6.820 6.364 1.00 0.00 C ATOM 0 H LEU A 95 -5.886 -3.424 3.151 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.503 -5.419 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.781 -4.662 5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.450 -5.259 4.135 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.961 -7.525 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.760 -8.167 6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.736 -7.204 5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.452 -6.450 7.095 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.201 -7.810 6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.989 -6.079 7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.959 -6.589 5.755 1.00 0.00 H new ATOM 1323 N VAL A 96 -4.038 -6.700 2.785 1.00 0.00 N ATOM 1324 CA VAL A 96 -3.797 -7.584 1.651 1.00 0.00 C ATOM 1325 C VAL A 96 -3.733 -9.041 2.095 1.00 0.00 C ATOM 1326 O VAL A 96 -2.734 -9.504 2.646 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.489 -7.221 0.925 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.470 -7.820 -0.473 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.312 -5.711 0.869 1.00 0.00 C ATOM 0 H VAL A 96 -3.256 -6.626 3.435 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.633 -7.453 0.964 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.654 -7.641 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.538 -7.553 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.547 -8.905 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.312 -7.432 -1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.382 -5.473 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.150 -5.266 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.277 -5.311 1.882 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.823 -9.783 1.850 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.916 -11.199 2.216 1.00 0.00 C ATOM 1341 C PRO A 97 -4.006 -12.078 1.364 1.00 0.00 C ATOM 1342 O PRO A 97 -4.390 -12.519 0.280 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.385 -11.538 1.955 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.823 -10.556 0.923 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.050 -9.296 1.198 1.00 0.00 C ATOM 0 HA PRO A 97 -4.601 -11.376 3.244 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.498 -12.562 1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.980 -11.449 2.864 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.619 -10.928 -0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.896 -10.377 0.985 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.828 -8.752 0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.606 -8.617 1.844 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.800 -12.330 1.860 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.836 -13.158 1.144 1.00 0.00 C ATOM 1355 C VAL A 98 -2.087 -14.640 1.400 1.00 0.00 C ATOM 1356 O VAL A 98 -2.466 -15.034 2.503 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.390 -12.815 1.551 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.601 -13.641 0.746 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.125 -11.329 1.374 1.00 0.00 C ATOM 0 H VAL A 98 -2.466 -11.973 2.755 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.966 -12.949 0.082 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.260 -13.061 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.617 -13.385 1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.424 -14.701 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.473 -13.430 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.901 -11.105 1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.273 -11.055 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.813 -10.760 1.999 1.00 0.00 H new ATOM 1369 N ILE A 99 -1.873 -15.456 0.373 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.075 -16.895 0.488 1.00 0.00 C ATOM 1371 C ILE A 99 -0.946 -17.664 -0.188 1.00 0.00 C ATOM 1372 O ILE A 99 -0.295 -17.155 -1.101 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.417 -17.326 -0.131 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.465 -16.949 -1.613 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.577 -16.688 0.621 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.385 -17.829 -2.431 1.00 0.00 C ATOM 0 H ILE A 99 -1.560 -15.145 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.084 -17.128 1.553 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.507 -18.409 -0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.790 -15.913 -1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.458 -17.006 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.519 -17.002 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.551 -17.002 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.493 -15.603 0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.369 -17.504 -3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.049 -18.864 -2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.401 -17.754 -2.043 1.00 0.00 H new ATOM 1388 N ALA A 100 -0.720 -18.893 0.264 1.00 0.00 N ATOM 1389 CA ALA A 100 0.328 -19.734 -0.300 1.00 0.00 C ATOM 1390 C ALA A 100 -0.124 -20.371 -1.610 1.00 0.00 C ATOM 1391 O ALA A 100 -1.009 -21.227 -1.640 1.00 0.00 O ATOM 1392 CB ALA A 100 0.738 -20.808 0.697 1.00 0.00 C ATOM 0 H ALA A 100 -1.249 -19.328 1.020 1.00 0.00 H new ATOM 0 HA ALA A 100 1.191 -19.102 -0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.521 -21.428 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.111 -20.337 1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.125 -21.429 0.938 1.00 0.00 H new ATOM 1398 N PRO A 101 0.494 -19.945 -2.722 1.00 0.00 N ATOM 1399 CA PRO A 101 0.171 -20.461 -4.055 1.00 0.00 C ATOM 1400 C PRO A 101 0.619 -21.907 -4.242 1.00 0.00 C ATOM 1401 O PRO A 101 1.786 -22.236 -4.034 1.00 0.00 O ATOM 1402 CB PRO A 101 0.950 -19.534 -4.992 1.00 0.00 C ATOM 1403 CG PRO A 101 2.082 -19.026 -4.167 1.00 0.00 C ATOM 1404 CD PRO A 101 1.559 -18.928 -2.761 1.00 0.00 C ATOM 0 HA PRO A 101 -0.903 -20.471 -4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.310 -20.070 -5.870 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.324 -18.717 -5.351 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.936 -19.701 -4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.421 -18.054 -4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.338 -19.134 -2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.172 -17.932 -2.545 1.00 0.00 H new