USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=12 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 Set 1.1: A 83 LYS NZ :NH3+ -122:sc=-0.00906 (180deg=-0.144) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -1.5! K(o=-0.27!,f=0.38) USER MOD Set 1.3: A 92 SER OG : rot 173:sc= 1.23 USER MOD Single : A 12 HIS : no HD1:sc= -3.1! K(o=-3.1!,f=-4.6) 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 180:sc=-0.000107 USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.102) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.103 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0219 X(o=-0.022,f=-0.46) USER MOD Single : A 77 ASN : amide:sc= -0.962! C(o=-0.96!,f=-5.3!) USER MOD Single : A 78 TYR OH : rot 11:sc= -0.127 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -6.25! C(o=-6.2!,f=-8.4!) USER MOD Single : A 94 TYR OH : rot 47:sc= -2 USER MOD ----------------------------------------------------------------- ATOM 88 N GLY A 10 -3.223 17.359 0.801 1.00 0.00 N ATOM 89 CA GLY A 10 -2.462 16.644 1.809 1.00 0.00 C ATOM 90 C GLY A 10 -2.632 15.141 1.705 1.00 0.00 C ATOM 91 O GLY A 10 -2.649 14.586 0.606 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.406 16.895 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.776 16.975 2.799 1.00 0.00 H new ATOM 95 N ALA A 11 -2.755 14.481 2.851 1.00 0.00 N ATOM 96 CA ALA A 11 -2.925 13.033 2.885 1.00 0.00 C ATOM 97 C ALA A 11 -4.229 12.618 2.212 1.00 0.00 C ATOM 98 O ALA A 11 -4.220 11.933 1.188 1.00 0.00 O ATOM 99 CB ALA A 11 -2.886 12.530 4.320 1.00 0.00 C ATOM 0 H ALA A 11 -2.740 14.926 3.769 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.101 12.582 2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.014 11.448 4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.926 12.786 4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.689 12.996 4.891 1.00 0.00 H new ATOM 105 N HIS A 12 -5.348 13.035 2.793 1.00 0.00 N ATOM 106 CA HIS A 12 -6.661 12.705 2.248 1.00 0.00 C ATOM 107 C HIS A 12 -6.647 12.764 0.724 1.00 0.00 C ATOM 108 O HIS A 12 -7.432 12.088 0.058 1.00 0.00 O ATOM 109 CB HIS A 12 -7.719 13.663 2.797 1.00 0.00 C ATOM 110 CG HIS A 12 -7.544 15.078 2.337 1.00 0.00 C ATOM 111 ND1 HIS A 12 -6.313 15.691 2.243 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.453 15.999 1.942 1.00 0.00 C ATOM 113 CE1 HIS A 12 -6.472 16.930 1.812 1.00 0.00 C ATOM 114 NE2 HIS A 12 -7.761 17.142 1.621 1.00 0.00 N ATOM 0 H HIS A 12 -5.373 13.602 3.641 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.909 11.688 2.552 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.706 13.312 2.496 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.690 13.638 3.886 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.523 15.862 1.889 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.682 17.647 1.645 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.176 18.013 1.289 1.00 0.00 H new ATOM 122 N LYS A 13 -5.752 13.578 0.176 1.00 0.00 N ATOM 123 CA LYS A 13 -5.634 13.725 -1.270 1.00 0.00 C ATOM 124 C LYS A 13 -4.560 12.796 -1.827 1.00 0.00 C ATOM 125 O LYS A 13 -3.767 13.189 -2.682 1.00 0.00 O ATOM 126 CB LYS A 13 -5.304 15.176 -1.630 1.00 0.00 C ATOM 127 CG LYS A 13 -6.382 16.164 -1.220 1.00 0.00 C ATOM 128 CD LYS A 13 -7.450 16.302 -2.293 1.00 0.00 C ATOM 129 CE LYS A 13 -8.575 15.299 -2.090 1.00 0.00 C ATOM 130 NZ LYS A 13 -9.869 15.801 -2.631 1.00 0.00 N ATOM 0 H LYS A 13 -5.097 14.147 0.712 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.591 13.454 -1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.365 15.456 -1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.147 15.248 -2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.842 15.836 -0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.931 17.137 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.855 17.314 -2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.002 16.154 -3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.317 14.360 -2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.684 15.086 -1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.611 15.089 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.128 16.684 -2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.773 15.981 -3.651 1.00 0.00 H new ATOM 144 N VAL A 14 -4.542 11.560 -1.337 1.00 0.00 N ATOM 145 CA VAL A 14 -3.567 10.573 -1.787 1.00 0.00 C ATOM 146 C VAL A 14 -4.210 9.202 -1.954 1.00 0.00 C ATOM 147 O VAL A 14 -4.643 8.585 -0.980 1.00 0.00 O ATOM 148 CB VAL A 14 -2.388 10.459 -0.802 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.402 9.399 -1.270 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.699 11.805 -0.638 1.00 0.00 C ATOM 0 H VAL A 14 -5.191 11.218 -0.628 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.193 10.915 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.777 10.155 0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.576 9.333 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.906 8.435 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.016 9.669 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.869 11.706 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.322 12.141 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.412 12.534 -0.253 1.00 0.00 H new ATOM 160 N ARG A 15 -4.270 8.729 -3.195 1.00 0.00 N ATOM 161 CA ARG A 15 -4.862 7.431 -3.490 1.00 0.00 C ATOM 162 C ARG A 15 -3.780 6.390 -3.767 1.00 0.00 C ATOM 163 O ARG A 15 -2.709 6.715 -4.277 1.00 0.00 O ATOM 164 CB ARG A 15 -5.802 7.536 -4.693 1.00 0.00 C ATOM 165 CG ARG A 15 -6.917 6.502 -4.685 1.00 0.00 C ATOM 166 CD ARG A 15 -8.095 6.949 -5.538 1.00 0.00 C ATOM 167 NE ARG A 15 -8.895 7.974 -4.874 1.00 0.00 N ATOM 168 CZ ARG A 15 -9.626 7.747 -3.789 1.00 0.00 C ATOM 169 NH1 ARG A 15 -9.658 6.536 -3.248 1.00 0.00 N ATOM 170 NH2 ARG A 15 -10.327 8.731 -3.241 1.00 0.00 N ATOM 0 H ARG A 15 -3.915 9.226 -4.012 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.433 7.114 -2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.242 8.533 -4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.221 7.425 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.536 5.551 -5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.251 6.332 -3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.728 7.335 -6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.725 6.089 -5.765 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.892 8.916 -5.265 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.120 5.777 -3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.220 6.364 -2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.305 9.664 -3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.888 8.555 -2.408 1.00 0.00 H new ATOM 184 N ALA A 16 -4.068 5.139 -3.425 1.00 0.00 N ATOM 185 CA ALA A 16 -3.122 4.051 -3.638 1.00 0.00 C ATOM 186 C ALA A 16 -3.830 2.796 -4.138 1.00 0.00 C ATOM 187 O ALA A 16 -4.616 2.186 -3.415 1.00 0.00 O ATOM 188 CB ALA A 16 -2.362 3.754 -2.354 1.00 0.00 C ATOM 0 H ALA A 16 -4.950 4.854 -2.999 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.413 4.365 -4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.659 2.939 -2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.816 4.644 -2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.066 3.466 -1.573 1.00 0.00 H new ATOM 222 N GLY A 20 -1.578 -5.413 -6.568 1.00 0.00 N ATOM 223 CA GLY A 20 -0.900 -5.971 -5.412 1.00 0.00 C ATOM 224 C GLY A 20 -1.661 -5.732 -4.122 1.00 0.00 C ATOM 225 O GLY A 20 -1.542 -6.503 -3.170 1.00 0.00 O ATOM 0 HA2 GLY A 20 -0.764 -7.043 -5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.094 -5.532 -5.331 1.00 0.00 H new ATOM 229 N LEU A 21 -2.444 -4.658 -4.090 1.00 0.00 N ATOM 230 CA LEU A 21 -3.227 -4.317 -2.907 1.00 0.00 C ATOM 231 C LEU A 21 -4.419 -5.257 -2.754 1.00 0.00 C ATOM 232 O LEU A 21 -4.724 -5.713 -1.653 1.00 0.00 O ATOM 233 CB LEU A 21 -3.711 -2.869 -2.992 1.00 0.00 C ATOM 234 CG LEU A 21 -2.652 -1.792 -2.757 1.00 0.00 C ATOM 235 CD1 LEU A 21 -3.203 -0.416 -3.099 1.00 0.00 C ATOM 236 CD2 LEU A 21 -2.164 -1.830 -1.315 1.00 0.00 C ATOM 0 H LEU A 21 -2.553 -4.009 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.586 -4.428 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.149 -2.711 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.509 -2.730 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.805 -1.994 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.434 0.337 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.502 -0.394 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.068 -0.204 -2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.411 -1.057 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.003 -1.654 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.728 -2.807 -1.104 1.00 0.00 H new ATOM 248 N GLU A 22 -5.088 -5.542 -3.867 1.00 0.00 N ATOM 249 CA GLU A 22 -6.245 -6.428 -3.855 1.00 0.00 C ATOM 250 C GLU A 22 -5.968 -7.677 -3.024 1.00 0.00 C ATOM 251 O GLU A 22 -6.682 -7.968 -2.065 1.00 0.00 O ATOM 252 CB GLU A 22 -6.625 -6.827 -5.283 1.00 0.00 C ATOM 253 CG GLU A 22 -6.747 -5.647 -6.233 1.00 0.00 C ATOM 254 CD GLU A 22 -7.644 -5.942 -7.418 1.00 0.00 C ATOM 255 OE1 GLU A 22 -7.165 -6.575 -8.383 1.00 0.00 O ATOM 256 OE2 GLU A 22 -8.827 -5.542 -7.381 1.00 0.00 O ATOM 0 H GLU A 22 -4.849 -5.172 -4.787 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.077 -5.889 -3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.876 -7.518 -5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.573 -7.364 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.140 -4.787 -5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.756 -5.371 -6.592 1.00 0.00 H new ATOM 263 N ARG A 23 -4.924 -8.409 -3.399 1.00 0.00 N ATOM 264 CA ARG A 23 -4.551 -9.627 -2.689 1.00 0.00 C ATOM 265 C ARG A 23 -3.036 -9.805 -2.674 1.00 0.00 C ATOM 266 O ARG A 23 -2.298 -8.987 -3.221 1.00 0.00 O ATOM 267 CB ARG A 23 -5.211 -10.844 -3.341 1.00 0.00 C ATOM 268 CG ARG A 23 -6.566 -11.192 -2.747 1.00 0.00 C ATOM 269 CD ARG A 23 -7.442 -11.925 -3.751 1.00 0.00 C ATOM 270 NE ARG A 23 -8.862 -11.790 -3.439 1.00 0.00 N ATOM 271 CZ ARG A 23 -9.440 -12.349 -2.381 1.00 0.00 C ATOM 272 NH1 ARG A 23 -8.721 -13.075 -1.536 1.00 0.00 N ATOM 273 NH2 ARG A 23 -10.738 -12.178 -2.166 1.00 0.00 N ATOM 0 H ARG A 23 -4.322 -8.180 -4.190 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.900 -9.540 -1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.329 -10.655 -4.408 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.548 -11.704 -3.241 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.428 -11.812 -1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.067 -10.280 -2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.252 -11.535 -4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.173 -12.981 -3.764 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.443 -11.236 -4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.722 -13.205 -1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.167 -13.503 -0.725 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.293 -11.617 -2.813 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.181 -12.607 -1.354 1.00 0.00 H new ATOM 287 N GLY A 24 -2.577 -10.881 -2.041 1.00 0.00 N ATOM 288 CA GLY A 24 -1.152 -11.147 -1.964 1.00 0.00 C ATOM 289 C GLY A 24 -0.833 -12.626 -2.049 1.00 0.00 C ATOM 290 O GLY A 24 -1.717 -13.467 -1.891 1.00 0.00 O ATOM 0 H GLY A 24 -3.167 -11.573 -1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.643 -10.622 -2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.761 -10.747 -1.028 1.00 0.00 H new ATOM 294 N GLU A 25 0.434 -12.942 -2.300 1.00 0.00 N ATOM 295 CA GLU A 25 0.865 -14.331 -2.409 1.00 0.00 C ATOM 296 C GLU A 25 2.116 -14.578 -1.570 1.00 0.00 C ATOM 297 O GLU A 25 2.985 -13.713 -1.462 1.00 0.00 O ATOM 298 CB GLU A 25 1.139 -14.691 -3.870 1.00 0.00 C ATOM 299 CG GLU A 25 -0.114 -15.039 -4.655 1.00 0.00 C ATOM 300 CD GLU A 25 -0.756 -13.826 -5.299 1.00 0.00 C ATOM 301 OE1 GLU A 25 -0.023 -12.865 -5.614 1.00 0.00 O ATOM 302 OE2 GLU A 25 -1.991 -13.837 -5.489 1.00 0.00 O ATOM 0 H GLU A 25 1.178 -12.257 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 25 0.062 -14.965 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.640 -13.853 -4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.826 -15.536 -3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.136 -15.766 -5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.834 -15.516 -3.990 1.00 0.00 H new ATOM 309 N ALA A 26 2.200 -15.765 -0.979 1.00 0.00 N ATOM 310 CA ALA A 26 3.344 -16.128 -0.152 1.00 0.00 C ATOM 311 C ALA A 26 4.571 -16.421 -1.008 1.00 0.00 C ATOM 312 O ALA A 26 4.518 -17.235 -1.928 1.00 0.00 O ATOM 313 CB ALA A 26 3.007 -17.330 0.718 1.00 0.00 C ATOM 0 H ALA A 26 1.489 -16.492 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 26 3.577 -15.280 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.871 -17.590 1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.164 -17.086 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.744 -18.176 0.083 1.00 0.00 H new ATOM 319 N GLY A 27 5.677 -15.748 -0.701 1.00 0.00 N ATOM 320 CA GLY A 27 6.900 -15.950 -1.454 1.00 0.00 C ATOM 321 C GLY A 27 6.839 -15.334 -2.837 1.00 0.00 C ATOM 322 O GLY A 27 7.598 -15.714 -3.728 1.00 0.00 O ATOM 0 H GLY A 27 5.747 -15.067 0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.737 -15.519 -0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.095 -17.019 -1.544 1.00 0.00 H new ATOM 326 N VAL A 28 5.931 -14.380 -3.019 1.00 0.00 N ATOM 327 CA VAL A 28 5.773 -13.710 -4.304 1.00 0.00 C ATOM 328 C VAL A 28 5.862 -12.196 -4.149 1.00 0.00 C ATOM 329 O VAL A 28 5.125 -11.582 -3.376 1.00 0.00 O ATOM 330 CB VAL A 28 4.427 -14.070 -4.961 1.00 0.00 C ATOM 331 CG1 VAL A 28 4.240 -13.292 -6.255 1.00 0.00 C ATOM 332 CG2 VAL A 28 4.341 -15.567 -5.213 1.00 0.00 C ATOM 0 H VAL A 28 5.294 -14.054 -2.292 1.00 0.00 H new ATOM 0 HA VAL A 28 6.586 -14.055 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 28 3.624 -13.793 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.284 -13.559 -6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.255 -12.223 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.047 -13.536 -6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.384 -15.803 -5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.151 -15.871 -5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.427 -16.101 -4.267 1.00 0.00 H new ATOM 342 N PRO A 29 6.783 -11.577 -4.902 1.00 0.00 N ATOM 343 CA PRO A 29 6.990 -10.127 -4.867 1.00 0.00 C ATOM 344 C PRO A 29 5.827 -9.360 -5.488 1.00 0.00 C ATOM 345 O PRO A 29 5.632 -9.387 -6.702 1.00 0.00 O ATOM 346 CB PRO A 29 8.262 -9.930 -5.695 1.00 0.00 C ATOM 347 CG PRO A 29 8.305 -11.106 -6.610 1.00 0.00 C ATOM 348 CD PRO A 29 7.694 -12.247 -5.846 1.00 0.00 C ATOM 0 HA PRO A 29 7.066 -9.751 -3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.230 -8.995 -6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.146 -9.891 -5.059 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.749 -10.908 -7.526 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.330 -11.336 -6.902 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.158 -12.930 -6.505 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.451 -12.834 -5.326 1.00 0.00 H new ATOM 356 N ALA A 30 5.057 -8.678 -4.646 1.00 0.00 N ATOM 357 CA ALA A 30 3.915 -7.902 -5.113 1.00 0.00 C ATOM 358 C ALA A 30 4.264 -6.422 -5.221 1.00 0.00 C ATOM 359 O ALA A 30 4.393 -5.731 -4.211 1.00 0.00 O ATOM 360 CB ALA A 30 2.727 -8.100 -4.184 1.00 0.00 C ATOM 0 H ALA A 30 5.204 -8.647 -3.637 1.00 0.00 H new ATOM 0 HA ALA A 30 3.647 -8.258 -6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.881 -7.515 -4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.455 -9.155 -4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.993 -7.772 -3.179 1.00 0.00 H new ATOM 366 N GLU A 31 4.417 -5.943 -6.452 1.00 0.00 N ATOM 367 CA GLU A 31 4.752 -4.544 -6.690 1.00 0.00 C ATOM 368 C GLU A 31 3.490 -3.701 -6.849 1.00 0.00 C ATOM 369 O GLU A 31 2.454 -4.193 -7.294 1.00 0.00 O ATOM 370 CB GLU A 31 5.628 -4.412 -7.938 1.00 0.00 C ATOM 371 CG GLU A 31 6.786 -5.395 -7.975 1.00 0.00 C ATOM 372 CD GLU A 31 7.905 -4.944 -8.894 1.00 0.00 C ATOM 373 OE1 GLU A 31 8.100 -3.717 -9.032 1.00 0.00 O ATOM 374 OE2 GLU A 31 8.584 -5.815 -9.475 1.00 0.00 O ATOM 0 H GLU A 31 4.314 -6.503 -7.299 1.00 0.00 H new ATOM 0 HA GLU A 31 5.306 -4.177 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.009 -4.559 -8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.022 -3.397 -7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.179 -5.526 -6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.421 -6.368 -8.303 1.00 0.00 H new ATOM 381 N PHE A 32 3.587 -2.427 -6.482 1.00 0.00 N ATOM 382 CA PHE A 32 2.453 -1.515 -6.583 1.00 0.00 C ATOM 383 C PHE A 32 2.923 -0.062 -6.585 1.00 0.00 C ATOM 384 O PHE A 32 3.706 0.349 -5.731 1.00 0.00 O ATOM 385 CB PHE A 32 1.482 -1.746 -5.424 1.00 0.00 C ATOM 386 CG PHE A 32 2.014 -1.292 -4.095 1.00 0.00 C ATOM 387 CD1 PHE A 32 1.999 0.049 -3.749 1.00 0.00 C ATOM 388 CD2 PHE A 32 2.530 -2.207 -3.192 1.00 0.00 C ATOM 389 CE1 PHE A 32 2.489 0.470 -2.527 1.00 0.00 C ATOM 390 CE2 PHE A 32 3.020 -1.793 -1.968 1.00 0.00 C ATOM 391 CZ PHE A 32 3.001 -0.453 -1.635 1.00 0.00 C ATOM 0 H PHE A 32 4.438 -2.003 -6.112 1.00 0.00 H new ATOM 0 HA PHE A 32 1.940 -1.715 -7.524 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.550 -1.221 -5.632 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.243 -2.808 -5.367 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.600 0.774 -4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.550 -3.256 -3.448 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.472 1.519 -2.270 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.418 -2.517 -1.272 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.385 -0.127 -0.680 1.00 0.00 H new ATOM 401 N SER A 33 2.437 0.707 -7.554 1.00 0.00 N ATOM 402 CA SER A 33 2.810 2.113 -7.672 1.00 0.00 C ATOM 403 C SER A 33 1.766 3.008 -7.013 1.00 0.00 C ATOM 404 O SER A 33 0.607 2.622 -6.862 1.00 0.00 O ATOM 405 CB SER A 33 2.971 2.497 -9.144 1.00 0.00 C ATOM 406 OG SER A 33 3.605 3.758 -9.276 1.00 0.00 O ATOM 0 H SER A 33 1.785 0.382 -8.268 1.00 0.00 H new ATOM 0 HA SER A 33 3.762 2.256 -7.160 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.557 1.736 -9.660 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.993 2.526 -9.625 1.00 0.00 H new ATOM 0 HG SER A 33 3.698 3.980 -10.226 1.00 0.00 H new ATOM 412 N ILE A 34 2.187 4.206 -6.621 1.00 0.00 N ATOM 413 CA ILE A 34 1.288 5.158 -5.978 1.00 0.00 C ATOM 414 C ILE A 34 1.239 6.473 -6.747 1.00 0.00 C ATOM 415 O ILE A 34 2.269 7.104 -6.985 1.00 0.00 O ATOM 416 CB ILE A 34 1.715 5.442 -4.526 1.00 0.00 C ATOM 417 CG1 ILE A 34 1.849 4.133 -3.745 1.00 0.00 C ATOM 418 CG2 ILE A 34 0.714 6.368 -3.851 1.00 0.00 C ATOM 419 CD1 ILE A 34 2.645 4.270 -2.467 1.00 0.00 C ATOM 0 H ILE A 34 3.144 4.541 -6.737 1.00 0.00 H new ATOM 0 HA ILE A 34 0.297 4.704 -5.975 1.00 0.00 H new ATOM 0 HB ILE A 34 2.686 5.936 -4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.854 3.759 -3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.325 3.387 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.030 6.559 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.664 7.310 -4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.270 5.899 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.699 3.303 -1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.653 4.614 -2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.159 4.992 -1.811 1.00 0.00 H new ATOM 549 N LEU A 44 5.782 10.042 1.733 1.00 0.00 N ATOM 550 CA LEU A 44 5.127 8.738 1.703 1.00 0.00 C ATOM 551 C LEU A 44 5.827 7.756 2.637 1.00 0.00 C ATOM 552 O LEU A 44 7.010 7.909 2.941 1.00 0.00 O ATOM 553 CB LEU A 44 5.117 8.184 0.277 1.00 0.00 C ATOM 554 CG LEU A 44 4.125 8.835 -0.689 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.654 8.782 -2.113 1.00 0.00 C ATOM 556 CD2 LEU A 44 2.767 8.155 -0.597 1.00 0.00 C ATOM 0 HA LEU A 44 4.100 8.866 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.119 8.287 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.900 7.117 0.325 1.00 0.00 H new ATOM 0 HG LEU A 44 4.005 9.881 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.935 9.250 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.603 9.315 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.804 7.743 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.074 8.631 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.870 7.101 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.383 8.246 0.419 1.00 0.00 H new ATOM 568 N SER A 45 5.088 6.748 3.087 1.00 0.00 N ATOM 569 CA SER A 45 5.637 5.741 3.989 1.00 0.00 C ATOM 570 C SER A 45 4.870 4.428 3.867 1.00 0.00 C ATOM 571 O SER A 45 3.672 4.420 3.583 1.00 0.00 O ATOM 572 CB SER A 45 5.591 6.240 5.433 1.00 0.00 C ATOM 573 OG SER A 45 5.983 5.222 6.337 1.00 0.00 O ATOM 0 H SER A 45 4.108 6.606 2.842 1.00 0.00 H new ATOM 0 HA SER A 45 6.675 5.563 3.708 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.248 7.102 5.544 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.582 6.575 5.673 1.00 0.00 H new ATOM 0 HG SER A 45 5.947 5.567 7.254 1.00 0.00 H new ATOM 579 N ILE A 46 5.569 3.319 4.083 1.00 0.00 N ATOM 580 CA ILE A 46 4.956 2.000 3.999 1.00 0.00 C ATOM 581 C ILE A 46 5.500 1.070 5.078 1.00 0.00 C ATOM 582 O ILE A 46 6.693 1.084 5.379 1.00 0.00 O ATOM 583 CB ILE A 46 5.188 1.358 2.619 1.00 0.00 C ATOM 584 CG1 ILE A 46 4.616 2.249 1.514 1.00 0.00 C ATOM 585 CG2 ILE A 46 4.560 -0.027 2.567 1.00 0.00 C ATOM 586 CD1 ILE A 46 5.338 2.110 0.193 1.00 0.00 C ATOM 0 H ILE A 46 6.562 3.308 4.318 1.00 0.00 H new ATOM 0 HA ILE A 46 3.886 2.140 4.150 1.00 0.00 H new ATOM 0 HB ILE A 46 6.261 1.256 2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.563 2.006 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.662 3.289 1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.732 -0.468 1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.009 -0.659 3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.488 0.053 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.880 2.770 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.386 2.381 0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.270 1.078 -0.152 1.00 0.00 H new ATOM 598 N ALA A 47 4.617 0.262 5.656 1.00 0.00 N ATOM 599 CA ALA A 47 5.010 -0.678 6.699 1.00 0.00 C ATOM 600 C ALA A 47 4.168 -1.947 6.639 1.00 0.00 C ATOM 601 O ALA A 47 2.979 -1.932 6.961 1.00 0.00 O ATOM 602 CB ALA A 47 4.891 -0.026 8.069 1.00 0.00 C ATOM 0 H ALA A 47 3.625 0.239 5.420 1.00 0.00 H new ATOM 0 HA ALA A 47 6.050 -0.956 6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.187 -0.739 8.838 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.541 0.848 8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.859 0.281 8.237 1.00 0.00 H new ATOM 608 N VAL A 48 4.791 -3.046 6.227 1.00 0.00 N ATOM 609 CA VAL A 48 4.099 -4.326 6.126 1.00 0.00 C ATOM 610 C VAL A 48 4.225 -5.122 7.420 1.00 0.00 C ATOM 611 O VAL A 48 5.327 -5.475 7.838 1.00 0.00 O ATOM 612 CB VAL A 48 4.647 -5.171 4.960 1.00 0.00 C ATOM 613 CG1 VAL A 48 3.995 -6.544 4.943 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.434 -4.453 3.637 1.00 0.00 C ATOM 0 H VAL A 48 5.774 -3.076 5.957 1.00 0.00 H new ATOM 0 HA VAL A 48 3.048 -4.104 5.940 1.00 0.00 H new ATOM 0 HB VAL A 48 5.719 -5.307 5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.395 -7.126 4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.205 -7.058 5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.917 -6.434 4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.827 -5.064 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.368 -4.284 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.954 -3.495 3.655 1.00 0.00 H new ATOM 624 N GLU A 49 3.087 -5.403 8.049 1.00 0.00 N ATOM 625 CA GLU A 49 3.071 -6.159 9.296 1.00 0.00 C ATOM 626 C GLU A 49 2.074 -7.312 9.221 1.00 0.00 C ATOM 627 O GLU A 49 1.051 -7.218 8.544 1.00 0.00 O ATOM 628 CB GLU A 49 2.719 -5.242 10.469 1.00 0.00 C ATOM 629 CG GLU A 49 3.901 -4.441 10.990 1.00 0.00 C ATOM 630 CD GLU A 49 4.734 -5.216 11.993 1.00 0.00 C ATOM 631 OE1 GLU A 49 4.325 -5.291 13.171 1.00 0.00 O ATOM 632 OE2 GLU A 49 5.794 -5.746 11.601 1.00 0.00 O ATOM 0 H GLU A 49 2.166 -5.119 7.716 1.00 0.00 H new ATOM 0 HA GLU A 49 4.067 -6.573 9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.933 -4.554 10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.313 -5.845 11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.532 -4.144 10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.537 -3.525 11.456 1.00 0.00 H new ATOM 639 N GLY A 50 2.382 -8.399 9.921 1.00 0.00 N ATOM 640 CA GLY A 50 1.505 -9.556 9.920 1.00 0.00 C ATOM 641 C GLY A 50 2.023 -10.678 10.797 1.00 0.00 C ATOM 642 O GLY A 50 2.814 -10.461 11.715 1.00 0.00 O ATOM 0 H GLY A 50 3.223 -8.500 10.489 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.515 -9.258 10.265 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.391 -9.920 8.899 1.00 0.00 H new ATOM 646 N PRO A 51 1.572 -11.909 10.517 1.00 0.00 N ATOM 647 CA PRO A 51 1.981 -13.094 11.276 1.00 0.00 C ATOM 648 C PRO A 51 3.439 -13.465 11.029 1.00 0.00 C ATOM 649 O PRO A 51 4.007 -14.294 11.741 1.00 0.00 O ATOM 650 CB PRO A 51 1.054 -14.191 10.750 1.00 0.00 C ATOM 651 CG PRO A 51 0.674 -13.742 9.381 1.00 0.00 C ATOM 652 CD PRO A 51 0.628 -12.241 9.435 1.00 0.00 C ATOM 0 HA PRO A 51 1.906 -12.934 12.352 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.559 -15.157 10.724 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.177 -14.307 11.386 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.400 -14.084 8.643 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.293 -14.152 9.090 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.930 -11.795 8.487 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.376 -11.877 9.652 1.00 0.00 H new ATOM 660 N SER A 52 4.039 -12.848 10.017 1.00 0.00 N ATOM 661 CA SER A 52 5.432 -13.117 9.675 1.00 0.00 C ATOM 662 C SER A 52 6.103 -11.868 9.113 1.00 0.00 C ATOM 663 O SER A 52 5.450 -10.853 8.869 1.00 0.00 O ATOM 664 CB SER A 52 5.518 -14.257 8.659 1.00 0.00 C ATOM 665 OG SER A 52 6.819 -14.816 8.628 1.00 0.00 O ATOM 0 H SER A 52 3.583 -12.159 9.419 1.00 0.00 H new ATOM 0 HA SER A 52 5.955 -13.411 10.585 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.793 -15.030 8.913 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.255 -13.886 7.668 1.00 0.00 H new ATOM 0 HG SER A 52 6.847 -15.544 7.972 1.00 0.00 H new ATOM 671 N LYS A 53 7.414 -11.949 8.909 1.00 0.00 N ATOM 672 CA LYS A 53 8.177 -10.828 8.375 1.00 0.00 C ATOM 673 C LYS A 53 7.965 -10.692 6.870 1.00 0.00 C ATOM 674 O LYS A 53 7.741 -11.682 6.175 1.00 0.00 O ATOM 675 CB LYS A 53 9.666 -11.008 8.677 1.00 0.00 C ATOM 676 CG LYS A 53 10.496 -9.764 8.410 1.00 0.00 C ATOM 677 CD LYS A 53 11.868 -9.859 9.055 1.00 0.00 C ATOM 678 CE LYS A 53 11.807 -9.548 10.542 1.00 0.00 C ATOM 679 NZ LYS A 53 11.602 -8.095 10.797 1.00 0.00 N ATOM 0 H LYS A 53 7.970 -12.781 9.106 1.00 0.00 H new ATOM 0 HA LYS A 53 7.822 -9.917 8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.784 -11.296 9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.054 -11.829 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.608 -9.624 7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.973 -8.888 8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.272 -10.861 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.551 -9.165 8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.996 -10.115 10.999 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.731 -9.874 11.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.784 -7.889 11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.256 -7.543 10.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.622 -7.836 10.563 1.00 0.00 H new ATOM 693 N ALA A 54 8.039 -9.461 6.376 1.00 0.00 N ATOM 694 CA ALA A 54 7.858 -9.198 4.953 1.00 0.00 C ATOM 695 C ALA A 54 8.934 -8.253 4.429 1.00 0.00 C ATOM 696 O ALA A 54 9.135 -7.166 4.969 1.00 0.00 O ATOM 697 CB ALA A 54 6.475 -8.619 4.695 1.00 0.00 C ATOM 0 H ALA A 54 8.223 -8.631 6.939 1.00 0.00 H new ATOM 0 HA ALA A 54 7.950 -10.144 4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.354 -8.428 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.716 -9.329 5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.363 -7.685 5.246 1.00 0.00 H new ATOM 703 N GLU A 55 9.624 -8.676 3.374 1.00 0.00 N ATOM 704 CA GLU A 55 10.681 -7.867 2.778 1.00 0.00 C ATOM 705 C GLU A 55 10.102 -6.626 2.105 1.00 0.00 C ATOM 706 O GLU A 55 8.971 -6.642 1.619 1.00 0.00 O ATOM 707 CB GLU A 55 11.472 -8.691 1.761 1.00 0.00 C ATOM 708 CG GLU A 55 12.865 -8.147 1.488 1.00 0.00 C ATOM 709 CD GLU A 55 13.709 -9.096 0.659 1.00 0.00 C ATOM 710 OE1 GLU A 55 13.531 -9.121 -0.577 1.00 0.00 O ATOM 711 OE2 GLU A 55 14.547 -9.812 1.246 1.00 0.00 O ATOM 0 H GLU A 55 9.470 -9.574 2.915 1.00 0.00 H new ATOM 0 HA GLU A 55 11.352 -7.547 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.556 -9.716 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.916 -8.728 0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.783 -7.192 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.368 -7.953 2.436 1.00 0.00 H new ATOM 718 N ILE A 56 10.886 -5.553 2.082 1.00 0.00 N ATOM 719 CA ILE A 56 10.453 -4.304 1.468 1.00 0.00 C ATOM 720 C ILE A 56 11.609 -3.614 0.751 1.00 0.00 C ATOM 721 O ILE A 56 12.660 -3.364 1.341 1.00 0.00 O ATOM 722 CB ILE A 56 9.861 -3.340 2.513 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.597 -3.937 3.134 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.560 -1.991 1.876 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.245 -3.342 4.478 1.00 0.00 C ATOM 0 H ILE A 56 11.824 -5.524 2.481 1.00 0.00 H new ATOM 0 HA ILE A 56 9.681 -4.559 0.743 1.00 0.00 H new ATOM 0 HB ILE A 56 10.594 -3.191 3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.761 -3.789 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.730 -5.013 3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.142 -1.320 2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.480 -1.563 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.842 -2.123 1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.338 -3.813 4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.063 -3.513 5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.079 -2.270 4.369 1.00 0.00 H new ATOM 737 N THR A 57 11.405 -3.306 -0.527 1.00 0.00 N ATOM 738 CA THR A 57 12.430 -2.644 -1.325 1.00 0.00 C ATOM 739 C THR A 57 11.909 -1.336 -1.909 1.00 0.00 C ATOM 740 O THR A 57 11.175 -1.334 -2.897 1.00 0.00 O ATOM 741 CB THR A 57 12.919 -3.548 -2.473 1.00 0.00 C ATOM 742 OG1 THR A 57 13.263 -4.842 -1.965 1.00 0.00 O ATOM 743 CG2 THR A 57 14.123 -2.933 -3.169 1.00 0.00 C ATOM 0 H THR A 57 10.540 -3.504 -1.031 1.00 0.00 H new ATOM 0 HA THR A 57 13.266 -2.434 -0.658 1.00 0.00 H new ATOM 0 HB THR A 57 12.112 -3.647 -3.198 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.571 -5.411 -2.701 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.451 -3.588 -3.976 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.849 -1.961 -3.580 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.934 -2.808 -2.451 1.00 0.00 H new ATOM 884 N VAL A 68 7.394 0.127 -5.420 1.00 0.00 N ATOM 885 CA VAL A 68 7.394 -0.459 -4.086 1.00 0.00 C ATOM 886 C VAL A 68 6.966 -1.922 -4.127 1.00 0.00 C ATOM 887 O VAL A 68 5.825 -2.236 -4.464 1.00 0.00 O ATOM 888 CB VAL A 68 6.459 0.311 -3.134 1.00 0.00 C ATOM 889 CG1 VAL A 68 6.591 -0.216 -1.714 1.00 0.00 C ATOM 890 CG2 VAL A 68 6.755 1.802 -3.189 1.00 0.00 C ATOM 0 HA VAL A 68 8.416 -0.393 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 68 5.430 0.156 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.923 0.340 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.325 -1.273 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.620 -0.093 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.086 2.331 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.788 1.979 -2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.603 2.166 -4.205 1.00 0.00 H new ATOM 900 N SER A 69 7.890 -2.813 -3.784 1.00 0.00 N ATOM 901 CA SER A 69 7.610 -4.244 -3.784 1.00 0.00 C ATOM 902 C SER A 69 7.704 -4.818 -2.374 1.00 0.00 C ATOM 903 O SER A 69 8.311 -4.217 -1.486 1.00 0.00 O ATOM 904 CB SER A 69 8.583 -4.975 -4.711 1.00 0.00 C ATOM 905 OG SER A 69 8.205 -6.330 -4.880 1.00 0.00 O ATOM 0 H SER A 69 8.840 -2.569 -3.502 1.00 0.00 H new ATOM 0 HA SER A 69 6.593 -4.389 -4.148 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.609 -4.478 -5.681 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.591 -4.924 -4.299 1.00 0.00 H new ATOM 0 HG SER A 69 8.841 -6.775 -5.478 1.00 0.00 H new ATOM 911 N TYR A 70 7.103 -5.985 -2.175 1.00 0.00 N ATOM 912 CA TYR A 70 7.117 -6.640 -0.872 1.00 0.00 C ATOM 913 C TYR A 70 6.908 -8.144 -1.017 1.00 0.00 C ATOM 914 O TYR A 70 6.224 -8.602 -1.933 1.00 0.00 O ATOM 915 CB TYR A 70 6.033 -6.048 0.031 1.00 0.00 C ATOM 916 CG TYR A 70 4.638 -6.525 -0.303 1.00 0.00 C ATOM 917 CD1 TYR A 70 4.177 -7.758 0.144 1.00 0.00 C ATOM 918 CD2 TYR A 70 3.781 -5.745 -1.069 1.00 0.00 C ATOM 919 CE1 TYR A 70 2.904 -8.197 -0.160 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.505 -6.176 -1.377 1.00 0.00 C ATOM 921 CZ TYR A 70 2.072 -7.403 -0.920 1.00 0.00 C ATOM 922 OH TYR A 70 0.801 -7.837 -1.226 1.00 0.00 O ATOM 0 H TYR A 70 6.600 -6.498 -2.899 1.00 0.00 H new ATOM 0 HA TYR A 70 8.093 -6.469 -0.417 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.256 -6.303 1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.064 -4.961 -0.044 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.826 -8.383 0.739 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.118 -4.785 -1.430 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.562 -9.158 0.196 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.851 -5.556 -1.972 1.00 0.00 H new ATOM 0 HH TYR A 70 0.345 -7.159 -1.767 1.00 0.00 H new ATOM 932 N ILE A 71 7.503 -8.908 -0.106 1.00 0.00 N ATOM 933 CA ILE A 71 7.382 -10.361 -0.130 1.00 0.00 C ATOM 934 C ILE A 71 7.099 -10.911 1.262 1.00 0.00 C ATOM 935 O ILE A 71 7.709 -10.489 2.245 1.00 0.00 O ATOM 936 CB ILE A 71 8.657 -11.023 -0.684 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.769 -10.785 -2.191 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.656 -12.513 -0.375 1.00 0.00 C ATOM 939 CD1 ILE A 71 10.127 -11.135 -2.757 1.00 0.00 C ATOM 0 H ILE A 71 8.073 -8.545 0.658 1.00 0.00 H new ATOM 0 HA ILE A 71 6.546 -10.598 -0.788 1.00 0.00 H new ATOM 0 HB ILE A 71 9.523 -10.572 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.008 -11.375 -2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.555 -9.737 -2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.563 -12.968 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.619 -12.661 0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.785 -12.979 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.135 -10.942 -3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.891 -10.526 -2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.335 -12.190 -2.577 1.00 0.00 H new ATOM 951 N ALA A 72 6.170 -11.858 1.341 1.00 0.00 N ATOM 952 CA ALA A 72 5.809 -12.471 2.614 1.00 0.00 C ATOM 953 C ALA A 72 6.042 -13.977 2.584 1.00 0.00 C ATOM 954 O ALA A 72 5.219 -14.732 2.065 1.00 0.00 O ATOM 955 CB ALA A 72 4.357 -12.167 2.953 1.00 0.00 C ATOM 0 H ALA A 72 5.653 -12.218 0.538 1.00 0.00 H new ATOM 0 HA ALA A 72 6.449 -12.046 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.101 -12.631 3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.218 -11.088 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.710 -12.564 2.171 1.00 0.00 H new ATOM 961 N GLN A 73 7.169 -14.408 3.143 1.00 0.00 N ATOM 962 CA GLN A 73 7.510 -15.825 3.178 1.00 0.00 C ATOM 963 C GLN A 73 6.268 -16.679 3.413 1.00 0.00 C ATOM 964 O GLN A 73 5.970 -17.584 2.634 1.00 0.00 O ATOM 965 CB GLN A 73 8.544 -16.096 4.273 1.00 0.00 C ATOM 966 CG GLN A 73 9.909 -15.492 3.984 1.00 0.00 C ATOM 967 CD GLN A 73 10.736 -16.346 3.042 1.00 0.00 C ATOM 968 OE1 GLN A 73 10.813 -17.565 3.196 1.00 0.00 O ATOM 969 NE2 GLN A 73 11.362 -15.707 2.060 1.00 0.00 N ATOM 0 H GLN A 73 7.860 -13.797 3.577 1.00 0.00 H new ATOM 0 HA GLN A 73 7.936 -16.094 2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.173 -15.699 5.218 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.652 -17.173 4.400 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.779 -14.500 3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.451 -15.362 4.921 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.270 -14.695 1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.935 -16.228 1.396 1.00 0.00 H new ATOM 978 N GLU A 74 5.548 -16.384 4.490 1.00 0.00 N ATOM 979 CA GLU A 74 4.339 -17.125 4.828 1.00 0.00 C ATOM 980 C GLU A 74 3.092 -16.298 4.530 1.00 0.00 C ATOM 981 O GLU A 74 3.086 -15.073 4.649 1.00 0.00 O ATOM 982 CB GLU A 74 4.356 -17.530 6.304 1.00 0.00 C ATOM 983 CG GLU A 74 5.643 -18.213 6.733 1.00 0.00 C ATOM 984 CD GLU A 74 5.767 -19.621 6.186 1.00 0.00 C ATOM 985 OE1 GLU A 74 5.053 -20.516 6.688 1.00 0.00 O ATOM 986 OE2 GLU A 74 6.575 -19.830 5.258 1.00 0.00 O ATOM 0 H GLU A 74 5.781 -15.637 5.144 1.00 0.00 H new ATOM 0 HA GLU A 74 4.313 -18.025 4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.204 -16.642 6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.518 -18.199 6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.494 -17.620 6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.687 -18.245 7.822 1.00 0.00 H new ATOM 993 N PRO A 75 2.009 -16.983 4.132 1.00 0.00 N ATOM 994 CA PRO A 75 0.736 -16.332 3.807 1.00 0.00 C ATOM 995 C PRO A 75 0.045 -15.765 5.042 1.00 0.00 C ATOM 996 O PRO A 75 0.469 -16.010 6.170 1.00 0.00 O ATOM 997 CB PRO A 75 -0.096 -17.464 3.200 1.00 0.00 C ATOM 998 CG PRO A 75 0.476 -18.709 3.784 1.00 0.00 C ATOM 999 CD PRO A 75 1.944 -18.445 3.967 1.00 0.00 C ATOM 0 HA PRO A 75 0.871 -15.480 3.141 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.152 -17.358 3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -0.025 -17.468 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.001 -18.947 4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.312 -19.561 3.124 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.340 -18.966 4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.523 -18.778 3.106 1.00 0.00 H new ATOM 1007 N GLY A 76 -1.024 -15.005 4.820 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.757 -14.415 5.925 1.00 0.00 C ATOM 1009 C GLY A 76 -2.247 -13.014 5.614 1.00 0.00 C ATOM 1010 O GLY A 76 -2.030 -12.504 4.517 1.00 0.00 O ATOM 0 H GLY A 76 -1.395 -14.788 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.609 -15.048 6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.117 -14.385 6.807 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.911 -12.394 6.583 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.435 -11.044 6.406 1.00 0.00 C ATOM 1016 C ASN A 77 -2.401 -10.000 6.817 1.00 0.00 C ATOM 1017 O ASN A 77 -2.270 -9.672 7.996 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.715 -10.860 7.224 1.00 0.00 C ATOM 1019 CG ASN A 77 -4.453 -10.873 8.718 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -3.565 -11.578 9.198 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -5.226 -10.090 9.461 1.00 0.00 N ATOM 0 H ASN A 77 -3.099 -12.804 7.498 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.664 -10.906 5.349 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.186 -9.917 6.949 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.420 -11.653 6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.096 -10.056 10.472 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.950 -9.522 9.021 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.670 -9.483 5.837 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.646 -8.477 6.097 1.00 0.00 C ATOM 1030 C TYR A 78 -1.237 -7.072 6.045 1.00 0.00 C ATOM 1031 O TYR A 78 -1.777 -6.652 5.023 1.00 0.00 O ATOM 1032 CB TYR A 78 0.490 -8.603 5.080 1.00 0.00 C ATOM 1033 CG TYR A 78 1.415 -9.770 5.346 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.045 -11.065 5.007 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.658 -9.576 5.935 1.00 0.00 C ATOM 1036 CE1 TYR A 78 1.886 -12.134 5.249 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.507 -10.639 6.179 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.116 -11.917 5.835 1.00 0.00 C ATOM 1039 OH TYR A 78 3.957 -12.978 6.076 1.00 0.00 O ATOM 0 H TYR A 78 -1.767 -9.743 4.855 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.250 -8.647 7.098 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.063 -8.709 4.083 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.072 -7.681 5.082 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.084 -11.239 4.547 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.966 -8.577 6.207 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.582 -13.135 4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.471 -10.470 6.636 1.00 0.00 H new ATOM 0 HH TYR A 78 3.611 -13.778 5.628 1.00 0.00 H new ATOM 1049 N GLU A 79 -1.128 -6.350 7.156 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.652 -4.992 7.238 1.00 0.00 C ATOM 1051 C GLU A 79 -0.566 -3.970 6.912 1.00 0.00 C ATOM 1052 O GLU A 79 0.282 -3.660 7.749 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.217 -4.723 8.634 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.363 -3.724 8.644 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.541 -3.056 9.995 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.866 -2.037 10.246 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.357 -3.554 10.798 1.00 0.00 O ATOM 0 H GLU A 79 -0.682 -6.683 8.011 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.452 -4.894 6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.562 -5.663 9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.417 -4.353 9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.182 -2.961 7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.287 -4.233 8.370 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.599 -3.450 5.688 1.00 0.00 N ATOM 1065 CA VAL A 80 0.380 -2.463 5.251 1.00 0.00 C ATOM 1066 C VAL A 80 -0.032 -1.057 5.669 1.00 0.00 C ATOM 1067 O VAL A 80 -0.958 -0.476 5.104 1.00 0.00 O ATOM 1068 CB VAL A 80 0.567 -2.498 3.722 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.694 -1.567 3.300 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.833 -3.919 3.250 1.00 0.00 C ATOM 0 H VAL A 80 -1.293 -3.696 4.983 1.00 0.00 H new ATOM 0 HA VAL A 80 1.324 -2.719 5.732 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.354 -2.151 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.811 -1.605 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.457 -0.547 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.623 -1.881 3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.963 -3.925 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.738 -4.297 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.011 -4.555 3.518 1.00 0.00 H new ATOM 1080 N SER A 81 0.662 -0.514 6.665 1.00 0.00 N ATOM 1081 CA SER A 81 0.366 0.824 7.163 1.00 0.00 C ATOM 1082 C SER A 81 1.075 1.885 6.325 1.00 0.00 C ATOM 1083 O SER A 81 2.304 1.959 6.310 1.00 0.00 O ATOM 1084 CB SER A 81 0.787 0.950 8.628 1.00 0.00 C ATOM 1085 OG SER A 81 0.195 -0.066 9.418 1.00 0.00 O ATOM 0 H SER A 81 1.433 -0.981 7.143 1.00 0.00 H new ATOM 0 HA SER A 81 -0.709 0.984 7.086 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.873 0.888 8.704 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.496 1.928 9.010 1.00 0.00 H new ATOM 0 HG SER A 81 0.481 0.036 10.350 1.00 0.00 H new ATOM 1091 N ILE A 82 0.291 2.701 5.631 1.00 0.00 N ATOM 1092 CA ILE A 82 0.842 3.758 4.791 1.00 0.00 C ATOM 1093 C ILE A 82 0.627 5.129 5.422 1.00 0.00 C ATOM 1094 O ILE A 82 -0.347 5.348 6.143 1.00 0.00 O ATOM 1095 CB ILE A 82 0.213 3.747 3.385 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.463 2.401 2.702 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.772 4.885 2.546 1.00 0.00 C ATOM 1098 CD1 ILE A 82 -0.321 2.220 1.420 1.00 0.00 C ATOM 0 H ILE A 82 -0.728 2.651 5.633 1.00 0.00 H new ATOM 0 HA ILE A 82 1.911 3.565 4.702 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.863 3.889 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.527 2.305 2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.205 1.598 3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.318 4.864 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.547 5.837 3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.852 4.772 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.095 1.244 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.388 2.284 1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.045 3.001 0.712 1.00 0.00 H new ATOM 1110 N LYS A 83 1.540 6.053 5.144 1.00 0.00 N ATOM 1111 CA LYS A 83 1.451 7.406 5.680 1.00 0.00 C ATOM 1112 C LYS A 83 2.018 8.421 4.694 1.00 0.00 C ATOM 1113 O LYS A 83 3.117 8.243 4.167 1.00 0.00 O ATOM 1114 CB LYS A 83 2.198 7.498 7.012 1.00 0.00 C ATOM 1115 CG LYS A 83 1.345 7.135 8.216 1.00 0.00 C ATOM 1116 CD LYS A 83 1.820 7.845 9.471 1.00 0.00 C ATOM 1117 CE LYS A 83 3.070 7.193 10.042 1.00 0.00 C ATOM 1118 NZ LYS A 83 2.774 5.870 10.657 1.00 0.00 N ATOM 0 H LYS A 83 2.352 5.889 4.549 1.00 0.00 H new ATOM 0 HA LYS A 83 0.398 7.637 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.064 6.837 6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.575 8.513 7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.306 7.399 8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.376 6.057 8.373 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.026 8.891 9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.028 7.832 10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.809 7.068 9.250 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.513 7.850 10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.066 5.878 11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.753 5.680 10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.295 5.127 10.150 1.00 0.00 H new ATOM 1132 N PHE A 84 1.264 9.487 4.449 1.00 0.00 N ATOM 1133 CA PHE A 84 1.694 10.532 3.527 1.00 0.00 C ATOM 1134 C PHE A 84 2.071 11.804 4.281 1.00 0.00 C ATOM 1135 O PHE A 84 1.222 12.449 4.895 1.00 0.00 O ATOM 1136 CB PHE A 84 0.586 10.836 2.516 1.00 0.00 C ATOM 1137 CG PHE A 84 0.807 12.108 1.749 1.00 0.00 C ATOM 1138 CD1 PHE A 84 0.457 13.332 2.298 1.00 0.00 C ATOM 1139 CD2 PHE A 84 1.362 12.081 0.481 1.00 0.00 C ATOM 1140 CE1 PHE A 84 0.659 14.505 1.595 1.00 0.00 C ATOM 1141 CE2 PHE A 84 1.567 13.250 -0.227 1.00 0.00 C ATOM 1142 CZ PHE A 84 1.213 14.464 0.330 1.00 0.00 C ATOM 0 H PHE A 84 0.352 9.650 4.876 1.00 0.00 H new ATOM 0 HA PHE A 84 2.575 10.172 2.996 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.509 10.006 1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.367 10.899 3.041 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.022 13.369 3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.638 11.135 0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.384 15.453 2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 84 2.003 13.215 -1.214 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.369 15.379 -0.222 1.00 0.00 H new ATOM 1152 N ASN A 85 3.351 12.157 4.232 1.00 0.00 N ATOM 1153 CA ASN A 85 3.841 13.349 4.912 1.00 0.00 C ATOM 1154 C ASN A 85 3.570 13.272 6.411 1.00 0.00 C ATOM 1155 O ASN A 85 3.130 14.245 7.023 1.00 0.00 O ATOM 1156 CB ASN A 85 3.185 14.602 4.327 1.00 0.00 C ATOM 1157 CG ASN A 85 3.544 14.816 2.869 1.00 0.00 C ATOM 1158 OD1 ASN A 85 3.191 14.012 2.007 1.00 0.00 O ATOM 1159 ND2 ASN A 85 4.251 15.905 2.588 1.00 0.00 N ATOM 0 H ASN A 85 4.067 11.634 3.728 1.00 0.00 H new ATOM 0 HA ASN A 85 4.919 13.406 4.759 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.102 14.521 4.424 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.492 15.473 4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 85 4.523 16.102 1.625 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.522 16.544 3.335 1.00 0.00 H new ATOM 1166 N ASP A 86 3.836 12.110 6.996 1.00 0.00 N ATOM 1167 CA ASP A 86 3.622 11.905 8.423 1.00 0.00 C ATOM 1168 C ASP A 86 2.144 12.044 8.777 1.00 0.00 C ATOM 1169 O ASP A 86 1.796 12.608 9.814 1.00 0.00 O ATOM 1170 CB ASP A 86 4.450 12.904 9.233 1.00 0.00 C ATOM 1171 CG ASP A 86 5.845 12.393 9.531 1.00 0.00 C ATOM 1172 OD1 ASP A 86 6.014 11.161 9.655 1.00 0.00 O ATOM 1173 OD2 ASP A 86 6.771 13.224 9.637 1.00 0.00 O ATOM 0 H ASP A 86 4.201 11.295 6.503 1.00 0.00 H new ATOM 0 HA ASP A 86 3.942 10.893 8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.520 13.843 8.684 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.938 13.120 10.170 1.00 0.00 H new ATOM 1178 N GLU A 87 1.282 11.527 7.907 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.158 11.598 8.128 1.00 0.00 C ATOM 1180 C GLU A 87 -0.848 10.336 7.617 1.00 0.00 C ATOM 1181 O GLU A 87 -0.510 9.817 6.553 1.00 0.00 O ATOM 1182 CB GLU A 87 -0.744 12.828 7.434 1.00 0.00 C ATOM 1183 CG GLU A 87 -0.742 14.075 8.303 1.00 0.00 C ATOM 1184 CD GLU A 87 -1.594 15.190 7.725 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -2.825 15.163 7.933 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -1.030 16.087 7.065 1.00 0.00 O ATOM 0 H GLU A 87 1.555 11.056 7.045 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.331 11.679 9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.176 13.027 6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.767 12.610 7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.109 13.821 9.298 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.282 14.429 8.421 1.00 0.00 H new ATOM 1193 N HIS A 88 -1.816 9.846 8.385 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.555 8.645 8.012 1.00 0.00 C ATOM 1195 C HIS A 88 -3.674 8.979 7.030 1.00 0.00 C ATOM 1196 O HIS A 88 -4.516 9.834 7.301 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.137 7.971 9.255 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.242 6.923 9.842 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -2.322 5.589 9.503 1.00 0.00 N ATOM 1200 CD2 HIS A 88 -1.241 7.020 10.749 1.00 0.00 C ATOM 1201 CE1 HIS A 88 -1.411 4.910 10.177 1.00 0.00 C ATOM 1202 NE2 HIS A 88 -0.742 5.756 10.940 1.00 0.00 N ATOM 0 H HIS A 88 -2.107 10.262 9.270 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.861 7.958 7.527 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.337 8.731 10.010 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.094 7.517 8.998 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.899 7.924 11.232 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.242 3.845 10.115 1.00 0.00 H new ATOM 0 HE2 HIS A 88 0.022 5.509 11.569 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.674 8.299 5.888 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.689 8.524 4.866 1.00 0.00 C ATOM 1212 C ILE A 89 -5.945 7.706 5.150 1.00 0.00 C ATOM 1213 O ILE A 89 -5.921 6.723 5.891 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.164 8.167 3.463 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.145 7.029 3.550 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.544 9.390 2.802 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.947 6.294 2.243 1.00 0.00 C ATOM 0 H ILE A 89 -2.983 7.588 5.647 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.935 9.585 4.893 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.003 7.833 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.188 7.434 3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.469 6.319 4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.178 9.122 1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.295 10.174 2.711 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.715 9.751 3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.212 5.501 2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.894 5.859 1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.593 6.991 1.484 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.068 8.119 4.544 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.355 7.438 4.715 1.00 0.00 C ATOM 1231 C PRO A 90 -8.380 6.070 4.043 1.00 0.00 C ATOM 1232 O PRO A 90 -9.392 5.371 4.074 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.350 8.384 4.039 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.538 9.138 3.043 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.169 9.283 3.649 1.00 0.00 C ATOM 0 HA PRO A 90 -8.577 7.243 5.764 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.156 7.832 3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.812 9.055 4.763 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.490 8.604 2.094 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.979 10.113 2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.389 9.273 2.887 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.069 10.220 4.196 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.259 5.693 3.435 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.154 4.408 2.755 1.00 0.00 C ATOM 1245 C GLU A 91 -6.139 3.506 3.451 1.00 0.00 C ATOM 1246 O GLU A 91 -5.854 2.402 2.987 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.755 4.611 1.292 1.00 0.00 C ATOM 1248 CG GLU A 91 -7.811 5.325 0.466 1.00 0.00 C ATOM 1249 CD GLU A 91 -7.665 5.062 -1.020 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -6.611 5.421 -1.586 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -8.605 4.497 -1.618 1.00 0.00 O ATOM 0 H GLU A 91 -6.411 6.259 3.400 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.130 3.924 2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.828 5.183 1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.550 3.640 0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.800 5.005 0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.747 6.398 0.649 1.00 0.00 H new ATOM 1258 N SER A 92 -5.596 3.985 4.566 1.00 0.00 N ATOM 1259 CA SER A 92 -4.609 3.224 5.323 1.00 0.00 C ATOM 1260 C SER A 92 -4.987 3.164 6.800 1.00 0.00 C ATOM 1261 O SER A 92 -5.690 4.029 7.323 1.00 0.00 O ATOM 1262 CB SER A 92 -3.221 3.849 5.165 1.00 0.00 C ATOM 1263 OG SER A 92 -2.972 4.801 6.184 1.00 0.00 O ATOM 0 H SER A 92 -5.823 4.896 4.965 1.00 0.00 H new ATOM 0 HA SER A 92 -4.589 2.208 4.929 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.461 3.068 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.143 4.328 4.189 1.00 0.00 H new ATOM 0 HG SER A 92 -2.043 5.107 6.126 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.509 2.118 7.490 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.672 1.082 6.879 1.00 0.00 C ATOM 1271 C PRO A 93 -4.451 0.207 5.903 1.00 0.00 C ATOM 1272 O PRO A 93 -5.682 0.230 5.882 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.198 0.256 8.077 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.244 0.464 9.118 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.750 1.866 8.921 1.00 0.00 C ATOM 0 HA PRO A 93 -2.860 1.509 6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.102 -0.798 7.818 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.221 0.589 8.426 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.051 -0.261 9.011 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.830 0.335 10.118 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.808 1.950 9.171 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.216 2.578 9.550 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.728 -0.562 5.097 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.353 -1.443 4.118 1.00 0.00 C ATOM 1285 C TYR A 94 -4.294 -2.897 4.576 1.00 0.00 C ATOM 1286 O TYR A 94 -3.375 -3.297 5.293 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.666 -1.298 2.759 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.797 0.085 2.160 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.100 1.162 2.693 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.615 0.313 1.061 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.216 2.427 2.149 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.737 1.575 0.510 1.00 0.00 C ATOM 1293 CZ TYR A 94 -4.036 2.628 1.058 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.153 3.885 0.513 1.00 0.00 O ATOM 0 H TYR A 94 -2.708 -0.593 5.102 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.399 -1.153 4.023 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.609 -1.539 2.868 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.089 -2.026 2.067 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.457 1.008 3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.165 -0.510 0.629 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.668 3.254 2.576 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.378 1.735 -0.345 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.262 4.278 0.402 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.280 -3.683 4.159 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.342 -5.094 4.526 1.00 0.00 C ATOM 1306 C LEU A 95 -5.317 -5.980 3.285 1.00 0.00 C ATOM 1307 O LEU A 95 -6.317 -6.104 2.577 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.605 -5.374 5.342 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.640 -6.710 6.086 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.585 -6.739 7.181 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -8.023 -6.959 6.669 1.00 0.00 C ATOM 0 H LEU A 95 -6.048 -3.368 3.566 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.467 -5.326 5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.729 -4.572 6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.464 -5.331 4.672 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.418 -7.506 5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.625 -7.697 7.699 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.598 -6.607 6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.775 -5.934 7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.030 -7.914 7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.273 -6.159 7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.758 -6.983 5.865 1.00 0.00 H new ATOM 1323 N VAL A 96 -4.168 -6.598 3.027 1.00 0.00 N ATOM 1324 CA VAL A 96 -4.014 -7.475 1.874 1.00 0.00 C ATOM 1325 C VAL A 96 -3.846 -8.928 2.307 1.00 0.00 C ATOM 1326 O VAL A 96 -2.780 -9.347 2.758 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.805 -7.064 1.013 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.867 -7.737 -0.350 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.744 -5.552 0.868 1.00 0.00 C ATOM 0 H VAL A 96 -3.330 -6.507 3.602 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.923 -7.379 1.280 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.895 -7.395 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.005 -7.435 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.858 -8.819 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.783 -7.440 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.884 -5.280 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.656 -5.195 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.648 -5.096 1.853 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.923 -9.716 2.168 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.919 -11.134 2.538 1.00 0.00 C ATOM 1341 C PRO A 97 -4.060 -11.976 1.601 1.00 0.00 C ATOM 1342 O PRO A 97 -4.501 -12.363 0.519 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.391 -11.535 2.419 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.968 -10.576 1.438 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.227 -9.283 1.637 1.00 0.00 C ATOM 0 HA PRO A 97 -4.498 -11.295 3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.494 -12.564 2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.898 -11.469 3.382 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.848 -10.942 0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.037 -10.443 1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.118 -8.734 0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.746 -8.625 2.334 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.831 -12.256 2.023 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.911 -13.054 1.222 1.00 0.00 C ATOM 1355 C VAL A 98 -2.221 -14.542 1.346 1.00 0.00 C ATOM 1356 O VAL A 98 -2.483 -15.041 2.440 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.448 -12.810 1.636 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.505 -13.397 0.607 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.190 -11.323 1.826 1.00 0.00 C ATOM 0 H VAL A 98 -2.450 -11.942 2.915 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.044 -12.743 0.186 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.270 -13.312 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.534 -13.214 0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.336 -14.471 0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.330 -12.928 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.849 -11.168 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.386 -10.797 0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.848 -10.936 2.605 1.00 0.00 H new ATOM 1369 N ILE A 99 -2.190 -15.242 0.217 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.467 -16.674 0.201 1.00 0.00 C ATOM 1371 C ILE A 99 -1.315 -17.449 -0.430 1.00 0.00 C ATOM 1372 O ILE A 99 -0.557 -16.909 -1.236 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.764 -16.988 -0.568 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.652 -16.508 -2.017 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.957 -16.340 0.119 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.558 -17.254 -2.972 1.00 0.00 C ATOM 0 H ILE A 99 -1.976 -14.842 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.586 -16.984 1.239 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.914 -18.068 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.890 -15.445 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.619 -16.617 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.866 -16.571 -0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.045 -16.725 1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.816 -15.260 0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.426 -16.861 -3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.306 -18.314 -2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.596 -17.124 -2.665 1.00 0.00 H new ATOM 1388 N ALA A 100 -1.190 -18.718 -0.059 1.00 0.00 N ATOM 1389 CA ALA A 100 -0.132 -19.569 -0.590 1.00 0.00 C ATOM 1390 C ALA A 100 -0.488 -20.082 -1.981 1.00 0.00 C ATOM 1391 O ALA A 100 -1.446 -20.833 -2.167 1.00 0.00 O ATOM 1392 CB ALA A 100 0.131 -20.735 0.352 1.00 0.00 C ATOM 0 H ALA A 100 -1.808 -19.180 0.608 1.00 0.00 H new ATOM 0 HA ALA A 100 0.775 -18.970 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.923 -21.362 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.437 -20.354 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.778 -21.326 0.463 1.00 0.00 H new ATOM 1398 N PRO A 101 0.300 -19.668 -2.985 1.00 0.00 N ATOM 1399 CA PRO A 101 0.087 -20.073 -4.377 1.00 0.00 C ATOM 1400 C PRO A 101 0.403 -21.546 -4.607 1.00 0.00 C ATOM 1401 O PRO A 101 1.514 -22.003 -4.338 1.00 0.00 O ATOM 1402 CB PRO A 101 1.063 -19.189 -5.157 1.00 0.00 C ATOM 1403 CG PRO A 101 2.134 -18.852 -4.179 1.00 0.00 C ATOM 1404 CD PRO A 101 1.459 -18.772 -2.838 1.00 0.00 C ATOM 0 HA PRO A 101 -0.953 -19.955 -4.681 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.468 -19.714 -6.022 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.571 -18.291 -5.531 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.915 -19.612 -4.178 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.611 -17.905 -4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.120 -19.099 -2.035 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.152 -17.753 -2.603 1.00 0.00 H new