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 Set 1.1: A 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 88 HIS :FLIP no HD1:sc= -0.812 F(o=-0.53!,f=0.44) USER MOD Set 1.4: A 92 SER OG : rot 162:sc= 1.25 USER MOD Single : A 12 HIS : no HD1:sc= -3.65 K(o=-3.7,f=-4.3!) 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 -140:sc= -0.0154 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 180:sc= -0.401 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.975 K(o=-0.97,f=-2.2!) USER MOD Single : A 77 ASN : amide:sc= -0.692 K(o=-0.69,f=-3.3!) USER MOD Single : A 78 TYR OH : rot 9:sc= 0.951 USER MOD Single : A 85 ASN : amide:sc= -0.837 K(o=-0.84,f=-5.4!) USER MOD Single : A 94 TYR OH : rot 70:sc= -2.47 USER MOD ----------------------------------------------------------------- ATOM 88 N GLY A 10 -2.840 17.429 0.837 1.00 0.00 N ATOM 89 CA GLY A 10 -3.116 16.791 2.111 1.00 0.00 C ATOM 90 C GLY A 10 -3.252 15.286 1.987 1.00 0.00 C ATOM 91 O GLY A 10 -3.725 14.780 0.971 1.00 0.00 O ATOM 0 HA2 GLY A 10 -2.314 17.024 2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.035 17.203 2.529 1.00 0.00 H new ATOM 95 N ALA A 11 -2.834 14.569 3.026 1.00 0.00 N ATOM 96 CA ALA A 11 -2.912 13.113 3.030 1.00 0.00 C ATOM 97 C ALA A 11 -4.248 12.634 2.474 1.00 0.00 C ATOM 98 O ALA A 11 -4.295 11.740 1.629 1.00 0.00 O ATOM 99 CB ALA A 11 -2.700 12.577 4.438 1.00 0.00 C ATOM 0 H ALA A 11 -2.438 14.973 3.875 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.122 12.729 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.761 11.489 4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.718 12.882 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.469 12.976 5.099 1.00 0.00 H new ATOM 105 N HIS A 12 -5.333 13.233 2.955 1.00 0.00 N ATOM 106 CA HIS A 12 -6.672 12.866 2.506 1.00 0.00 C ATOM 107 C HIS A 12 -6.760 12.892 0.983 1.00 0.00 C ATOM 108 O HIS A 12 -7.295 11.972 0.366 1.00 0.00 O ATOM 109 CB HIS A 12 -7.711 13.813 3.105 1.00 0.00 C ATOM 110 CG HIS A 12 -7.487 15.251 2.750 1.00 0.00 C ATOM 111 ND1 HIS A 12 -6.511 16.027 3.338 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.117 16.052 1.859 1.00 0.00 C ATOM 113 CE1 HIS A 12 -6.553 17.245 2.826 1.00 0.00 C ATOM 114 NE2 HIS A 12 -7.518 17.286 1.926 1.00 0.00 N ATOM 0 H HIS A 12 -5.311 13.974 3.655 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.878 11.851 2.847 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.702 13.514 2.765 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.702 13.710 4.190 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.938 15.773 1.215 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.907 18.067 3.098 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.777 18.102 1.371 1.00 0.00 H new ATOM 122 N LYS A 13 -6.231 13.953 0.383 1.00 0.00 N ATOM 123 CA LYS A 13 -6.250 14.101 -1.068 1.00 0.00 C ATOM 124 C LYS A 13 -5.610 12.893 -1.745 1.00 0.00 C ATOM 125 O LYS A 13 -6.172 12.324 -2.681 1.00 0.00 O ATOM 126 CB LYS A 13 -5.515 15.378 -1.480 1.00 0.00 C ATOM 127 CG LYS A 13 -6.257 16.651 -1.112 1.00 0.00 C ATOM 128 CD LYS A 13 -7.279 17.028 -2.170 1.00 0.00 C ATOM 129 CE LYS A 13 -8.605 16.320 -1.940 1.00 0.00 C ATOM 130 NZ LYS A 13 -9.747 17.073 -2.529 1.00 0.00 N ATOM 0 H LYS A 13 -5.784 14.724 0.879 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.290 14.168 -1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.533 15.390 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.351 15.361 -2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.758 16.517 -0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.544 17.466 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.435 18.107 -2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.894 16.771 -3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.564 15.322 -2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.768 16.193 -0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.632 16.557 -2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.802 18.016 -2.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.605 17.173 -3.554 1.00 0.00 H new ATOM 144 N VAL A 14 -4.432 12.505 -1.267 1.00 0.00 N ATOM 145 CA VAL A 14 -3.718 11.363 -1.824 1.00 0.00 C ATOM 146 C VAL A 14 -4.633 10.150 -1.950 1.00 0.00 C ATOM 147 O VAL A 14 -5.425 9.861 -1.052 1.00 0.00 O ATOM 148 CB VAL A 14 -2.500 10.986 -0.959 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.821 9.740 -1.507 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.521 12.148 -0.882 1.00 0.00 C ATOM 0 H VAL A 14 -3.952 12.966 -0.494 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.373 11.659 -2.815 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.847 10.767 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.963 9.489 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.527 8.910 -1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.486 9.927 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.667 11.864 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.178 12.402 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.016 13.012 -0.439 1.00 0.00 H new ATOM 160 N ARG A 15 -4.520 9.445 -3.070 1.00 0.00 N ATOM 161 CA ARG A 15 -5.338 8.263 -3.314 1.00 0.00 C ATOM 162 C ARG A 15 -4.525 7.173 -4.007 1.00 0.00 C ATOM 163 O ARG A 15 -3.940 7.399 -5.065 1.00 0.00 O ATOM 164 CB ARG A 15 -6.555 8.626 -4.167 1.00 0.00 C ATOM 165 CG ARG A 15 -7.510 7.465 -4.391 1.00 0.00 C ATOM 166 CD ARG A 15 -8.693 7.876 -5.252 1.00 0.00 C ATOM 167 NE ARG A 15 -9.315 6.731 -5.911 1.00 0.00 N ATOM 168 CZ ARG A 15 -10.245 6.840 -6.853 1.00 0.00 C ATOM 169 NH1 ARG A 15 -10.659 8.037 -7.245 1.00 0.00 N ATOM 170 NH2 ARG A 15 -10.763 5.750 -7.406 1.00 0.00 N ATOM 0 H ARG A 15 -3.870 9.671 -3.823 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.678 7.882 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.095 9.442 -3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.213 8.996 -5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.979 6.642 -4.870 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.869 7.097 -3.430 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.433 8.384 -4.633 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.362 8.592 -6.005 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.019 5.796 -5.632 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.263 8.877 -6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.373 8.118 -7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.447 4.827 -7.108 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.477 5.835 -8.129 1.00 0.00 H new ATOM 184 N ALA A 16 -4.493 5.990 -3.401 1.00 0.00 N ATOM 185 CA ALA A 16 -3.754 4.865 -3.960 1.00 0.00 C ATOM 186 C ALA A 16 -4.680 3.927 -4.727 1.00 0.00 C ATOM 187 O ALA A 16 -5.896 3.949 -4.541 1.00 0.00 O ATOM 188 CB ALA A 16 -3.030 4.109 -2.855 1.00 0.00 C ATOM 0 H ALA A 16 -4.970 5.786 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.017 5.257 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.482 3.271 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.332 4.779 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.757 3.735 -2.134 1.00 0.00 H new ATOM 222 N GLY A 20 -1.896 -5.026 -7.042 1.00 0.00 N ATOM 223 CA GLY A 20 -1.021 -5.628 -6.055 1.00 0.00 C ATOM 224 C GLY A 20 -1.595 -5.562 -4.653 1.00 0.00 C ATOM 225 O GLY A 20 -1.285 -6.400 -3.806 1.00 0.00 O ATOM 0 HA2 GLY A 20 -0.840 -6.669 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.056 -5.122 -6.073 1.00 0.00 H new ATOM 229 N LEU A 21 -2.435 -4.563 -4.407 1.00 0.00 N ATOM 230 CA LEU A 21 -3.053 -4.388 -3.097 1.00 0.00 C ATOM 231 C LEU A 21 -4.208 -5.367 -2.906 1.00 0.00 C ATOM 232 O LEU A 21 -4.350 -5.972 -1.844 1.00 0.00 O ATOM 233 CB LEU A 21 -3.555 -2.952 -2.935 1.00 0.00 C ATOM 234 CG LEU A 21 -2.488 -1.858 -2.987 1.00 0.00 C ATOM 235 CD1 LEU A 21 -3.135 -0.485 -3.078 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.579 -1.942 -1.768 1.00 0.00 C ATOM 0 H LEU A 21 -2.704 -3.862 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.299 -4.590 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.288 -2.754 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.078 -2.877 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.881 -2.011 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.360 0.281 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.743 -0.429 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.766 -0.322 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.825 -1.156 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.172 -1.815 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.088 -2.915 -1.747 1.00 0.00 H new ATOM 248 N GLU A 22 -5.026 -5.518 -3.941 1.00 0.00 N ATOM 249 CA GLU A 22 -6.167 -6.425 -3.887 1.00 0.00 C ATOM 250 C GLU A 22 -5.837 -7.666 -3.064 1.00 0.00 C ATOM 251 O GLU A 22 -6.527 -7.983 -2.095 1.00 0.00 O ATOM 252 CB GLU A 22 -6.591 -6.833 -5.299 1.00 0.00 C ATOM 253 CG GLU A 22 -6.973 -5.659 -6.185 1.00 0.00 C ATOM 254 CD GLU A 22 -8.419 -5.239 -6.004 1.00 0.00 C ATOM 255 OE1 GLU A 22 -8.902 -5.259 -4.854 1.00 0.00 O ATOM 256 OE2 GLU A 22 -9.066 -4.891 -7.013 1.00 0.00 O ATOM 0 H GLU A 22 -4.921 -5.025 -4.827 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.992 -5.900 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.775 -7.382 -5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.437 -7.516 -5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.322 -4.813 -5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.804 -5.925 -7.228 1.00 0.00 H new ATOM 263 N ARG A 23 -4.777 -8.364 -3.457 1.00 0.00 N ATOM 264 CA ARG A 23 -4.355 -9.572 -2.758 1.00 0.00 C ATOM 265 C ARG A 23 -2.843 -9.752 -2.848 1.00 0.00 C ATOM 266 O ARG A 23 -2.141 -8.922 -3.425 1.00 0.00 O ATOM 267 CB ARG A 23 -5.060 -10.798 -3.341 1.00 0.00 C ATOM 268 CG ARG A 23 -6.364 -11.141 -2.640 1.00 0.00 C ATOM 269 CD ARG A 23 -7.292 -11.935 -3.546 1.00 0.00 C ATOM 270 NE ARG A 23 -8.697 -11.739 -3.199 1.00 0.00 N ATOM 271 CZ ARG A 23 -9.668 -12.563 -3.574 1.00 0.00 C ATOM 272 NH1 ARG A 23 -9.389 -13.633 -4.305 1.00 0.00 N ATOM 273 NH2 ARG A 23 -10.923 -12.318 -3.218 1.00 0.00 N ATOM 0 H ARG A 23 -4.194 -8.114 -4.256 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.630 -9.468 -1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.261 -10.623 -4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.389 -11.655 -3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.153 -11.717 -1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.860 -10.224 -2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.130 -11.637 -4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.046 -12.995 -3.477 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.946 -10.924 -2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.426 -13.825 -4.581 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.137 -14.264 -4.592 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.142 -11.496 -2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.668 -12.952 -3.507 1.00 0.00 H new ATOM 287 N GLY A 24 -2.345 -10.842 -2.270 1.00 0.00 N ATOM 288 CA GLY A 24 -0.919 -11.110 -2.295 1.00 0.00 C ATOM 289 C GLY A 24 -0.610 -12.591 -2.393 1.00 0.00 C ATOM 290 O GLY A 24 -1.515 -13.412 -2.535 1.00 0.00 O ATOM 0 H GLY A 24 -2.904 -11.544 -1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.470 -10.591 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.460 -10.705 -1.393 1.00 0.00 H new ATOM 294 N GLU A 25 0.673 -12.932 -2.320 1.00 0.00 N ATOM 295 CA GLU A 25 1.098 -14.324 -2.403 1.00 0.00 C ATOM 296 C GLU A 25 2.319 -14.575 -1.523 1.00 0.00 C ATOM 297 O GLU A 25 3.199 -13.722 -1.407 1.00 0.00 O ATOM 298 CB GLU A 25 1.417 -14.697 -3.853 1.00 0.00 C ATOM 299 CG GLU A 25 0.190 -15.060 -4.673 1.00 0.00 C ATOM 300 CD GLU A 25 0.446 -14.999 -6.165 1.00 0.00 C ATOM 301 OE1 GLU A 25 0.565 -13.879 -6.702 1.00 0.00 O ATOM 302 OE2 GLU A 25 0.527 -16.074 -6.797 1.00 0.00 O ATOM 0 H GLU A 25 1.435 -12.264 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 25 0.279 -14.948 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.928 -13.861 -4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.109 -15.539 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.137 -16.065 -4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.625 -14.382 -4.420 1.00 0.00 H new ATOM 309 N ALA A 26 2.364 -15.749 -0.904 1.00 0.00 N ATOM 310 CA ALA A 26 3.476 -16.113 -0.034 1.00 0.00 C ATOM 311 C ALA A 26 4.755 -16.324 -0.839 1.00 0.00 C ATOM 312 O ALA A 26 4.749 -16.999 -1.866 1.00 0.00 O ATOM 313 CB ALA A 26 3.137 -17.366 0.760 1.00 0.00 C ATOM 0 H ALA A 26 1.643 -16.465 -0.988 1.00 0.00 H new ATOM 0 HA ALA A 26 3.646 -15.291 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.976 -17.626 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.253 -17.182 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.938 -18.189 0.074 1.00 0.00 H new ATOM 319 N GLY A 27 5.850 -15.739 -0.363 1.00 0.00 N ATOM 320 CA GLY A 27 7.121 -15.875 -1.050 1.00 0.00 C ATOM 321 C GLY A 27 7.058 -15.391 -2.486 1.00 0.00 C ATOM 322 O GLY A 27 7.775 -15.895 -3.351 1.00 0.00 O ATOM 0 H GLY A 27 5.880 -15.174 0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.883 -15.311 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.429 -16.921 -1.035 1.00 0.00 H new ATOM 326 N VAL A 28 6.197 -14.411 -2.741 1.00 0.00 N ATOM 327 CA VAL A 28 6.043 -13.859 -4.081 1.00 0.00 C ATOM 328 C VAL A 28 6.116 -12.337 -4.060 1.00 0.00 C ATOM 329 O VAL A 28 5.375 -11.664 -3.343 1.00 0.00 O ATOM 330 CB VAL A 28 4.706 -14.289 -4.715 1.00 0.00 C ATOM 331 CG1 VAL A 28 4.530 -13.642 -6.080 1.00 0.00 C ATOM 332 CG2 VAL A 28 4.629 -15.805 -4.819 1.00 0.00 C ATOM 0 H VAL A 28 5.596 -13.983 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 28 6.864 -14.251 -4.681 1.00 0.00 H new ATOM 0 HB VAL A 28 3.893 -13.951 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.580 -13.957 -6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.537 -12.557 -5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.346 -13.947 -6.735 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.678 -16.091 -5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.448 -16.169 -5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.705 -16.242 -3.824 1.00 0.00 H new ATOM 342 N PRO A 29 7.031 -11.777 -4.866 1.00 0.00 N ATOM 343 CA PRO A 29 7.224 -10.327 -4.960 1.00 0.00 C ATOM 344 C PRO A 29 6.052 -9.630 -5.644 1.00 0.00 C ATOM 345 O PRO A 29 5.814 -9.821 -6.836 1.00 0.00 O ATOM 346 CB PRO A 29 8.493 -10.191 -5.804 1.00 0.00 C ATOM 347 CG PRO A 29 8.547 -11.441 -6.611 1.00 0.00 C ATOM 348 CD PRO A 29 7.949 -12.517 -5.748 1.00 0.00 C ATOM 0 HA PRO A 29 7.298 -9.861 -3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.451 -9.309 -6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.377 -10.087 -5.175 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.988 -11.330 -7.540 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.574 -11.685 -6.884 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.421 -13.262 -6.343 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.713 -13.047 -5.179 1.00 0.00 H new ATOM 356 N ALA A 30 5.323 -8.821 -4.881 1.00 0.00 N ATOM 357 CA ALA A 30 4.179 -8.093 -5.416 1.00 0.00 C ATOM 358 C ALA A 30 4.308 -6.597 -5.154 1.00 0.00 C ATOM 359 O ALA A 30 4.371 -6.161 -4.004 1.00 0.00 O ATOM 360 CB ALA A 30 2.887 -8.626 -4.812 1.00 0.00 C ATOM 0 H ALA A 30 5.505 -8.654 -3.891 1.00 0.00 H new ATOM 0 HA ALA A 30 4.155 -8.245 -6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.040 -8.074 -5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.781 -9.684 -5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.913 -8.502 -3.729 1.00 0.00 H new ATOM 366 N GLU A 31 4.352 -5.814 -6.228 1.00 0.00 N ATOM 367 CA GLU A 31 4.475 -4.366 -6.113 1.00 0.00 C ATOM 368 C GLU A 31 3.295 -3.663 -6.777 1.00 0.00 C ATOM 369 O GLU A 31 2.616 -4.239 -7.628 1.00 0.00 O ATOM 370 CB GLU A 31 5.787 -3.893 -6.746 1.00 0.00 C ATOM 371 CG GLU A 31 6.013 -4.428 -8.149 1.00 0.00 C ATOM 372 CD GLU A 31 7.304 -3.926 -8.764 1.00 0.00 C ATOM 373 OE1 GLU A 31 8.375 -4.153 -8.162 1.00 0.00 O ATOM 374 OE2 GLU A 31 7.245 -3.305 -9.846 1.00 0.00 O ATOM 0 H GLU A 31 4.304 -6.159 -7.187 1.00 0.00 H new ATOM 0 HA GLU A 31 4.476 -4.110 -5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.794 -2.803 -6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.618 -4.200 -6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.028 -5.518 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.176 -4.138 -8.784 1.00 0.00 H new ATOM 381 N PHE A 32 3.056 -2.419 -6.381 1.00 0.00 N ATOM 382 CA PHE A 32 1.956 -1.637 -6.936 1.00 0.00 C ATOM 383 C PHE A 32 2.407 -0.215 -7.255 1.00 0.00 C ATOM 384 O PHE A 32 3.529 0.179 -6.937 1.00 0.00 O ATOM 385 CB PHE A 32 0.781 -1.605 -5.957 1.00 0.00 C ATOM 386 CG PHE A 32 1.184 -1.278 -4.547 1.00 0.00 C ATOM 387 CD1 PHE A 32 1.596 -2.277 -3.681 1.00 0.00 C ATOM 388 CD2 PHE A 32 1.149 0.029 -4.088 1.00 0.00 C ATOM 389 CE1 PHE A 32 1.967 -1.979 -2.384 1.00 0.00 C ATOM 390 CE2 PHE A 32 1.518 0.334 -2.792 1.00 0.00 C ATOM 391 CZ PHE A 32 1.929 -0.671 -1.939 1.00 0.00 C ATOM 0 H PHE A 32 3.609 -1.929 -5.678 1.00 0.00 H new ATOM 0 HA PHE A 32 1.635 -2.113 -7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.054 -0.868 -6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.282 -2.574 -5.968 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.628 -3.301 -4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.829 0.819 -4.751 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.286 -2.767 -1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.485 1.357 -2.447 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.220 -0.435 -0.926 1.00 0.00 H new ATOM 401 N SER A 33 1.523 0.552 -7.886 1.00 0.00 N ATOM 402 CA SER A 33 1.830 1.930 -8.252 1.00 0.00 C ATOM 403 C SER A 33 0.928 2.905 -7.503 1.00 0.00 C ATOM 404 O SER A 33 -0.286 2.711 -7.425 1.00 0.00 O ATOM 405 CB SER A 33 1.670 2.126 -9.761 1.00 0.00 C ATOM 406 OG SER A 33 2.384 1.138 -10.483 1.00 0.00 O ATOM 0 H SER A 33 0.589 0.242 -8.154 1.00 0.00 H new ATOM 0 HA SER A 33 2.864 2.132 -7.974 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.614 2.082 -10.026 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.029 3.116 -10.042 1.00 0.00 H new ATOM 0 HG SER A 33 2.264 1.285 -11.444 1.00 0.00 H new ATOM 412 N ILE A 34 1.530 3.954 -6.951 1.00 0.00 N ATOM 413 CA ILE A 34 0.782 4.960 -6.208 1.00 0.00 C ATOM 414 C ILE A 34 0.603 6.231 -7.032 1.00 0.00 C ATOM 415 O ILE A 34 1.569 6.783 -7.558 1.00 0.00 O ATOM 416 CB ILE A 34 1.480 5.315 -4.883 1.00 0.00 C ATOM 417 CG1 ILE A 34 1.645 4.065 -4.016 1.00 0.00 C ATOM 418 CG2 ILE A 34 0.692 6.382 -4.138 1.00 0.00 C ATOM 419 CD1 ILE A 34 2.706 4.206 -2.947 1.00 0.00 C ATOM 0 H ILE A 34 2.533 4.129 -7.005 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.196 4.530 -5.990 1.00 0.00 H new ATOM 0 HB ILE A 34 2.470 5.712 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.691 3.834 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.896 3.219 -4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.198 6.622 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.622 7.279 -4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.310 6.011 -3.923 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.768 3.282 -2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.670 4.407 -3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.446 5.031 -2.283 1.00 0.00 H new ATOM 549 N LEU A 44 6.714 9.458 1.124 1.00 0.00 N ATOM 550 CA LEU A 44 5.788 8.342 1.276 1.00 0.00 C ATOM 551 C LEU A 44 6.379 7.263 2.177 1.00 0.00 C ATOM 552 O LEU A 44 7.530 6.862 2.009 1.00 0.00 O ATOM 553 CB LEU A 44 5.445 7.749 -0.091 1.00 0.00 C ATOM 554 CG LEU A 44 4.245 8.369 -0.810 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.206 7.926 -2.264 1.00 0.00 C ATOM 556 CD2 LEU A 44 2.950 7.999 -0.102 1.00 0.00 C ATOM 0 HA LEU A 44 4.877 8.719 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.319 7.845 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.257 6.683 0.035 1.00 0.00 H new ATOM 0 HG LEU A 44 4.352 9.453 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.346 8.377 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.120 8.243 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.124 6.840 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.107 8.448 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.836 6.915 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.978 8.368 0.923 1.00 0.00 H new ATOM 568 N SER A 45 5.582 6.794 3.132 1.00 0.00 N ATOM 569 CA SER A 45 6.026 5.762 4.061 1.00 0.00 C ATOM 570 C SER A 45 5.152 4.515 3.947 1.00 0.00 C ATOM 571 O SER A 45 3.924 4.604 3.937 1.00 0.00 O ATOM 572 CB SER A 45 5.995 6.290 5.496 1.00 0.00 C ATOM 573 OG SER A 45 6.730 5.446 6.366 1.00 0.00 O ATOM 0 H SER A 45 4.625 7.113 3.282 1.00 0.00 H new ATOM 0 HA SER A 45 7.050 5.492 3.803 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.410 7.297 5.525 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.963 6.360 5.839 1.00 0.00 H new ATOM 0 HG SER A 45 6.696 5.806 7.277 1.00 0.00 H new ATOM 579 N ILE A 46 5.795 3.356 3.860 1.00 0.00 N ATOM 580 CA ILE A 46 5.078 2.092 3.747 1.00 0.00 C ATOM 581 C ILE A 46 5.669 1.040 4.680 1.00 0.00 C ATOM 582 O ILE A 46 6.870 0.776 4.652 1.00 0.00 O ATOM 583 CB ILE A 46 5.106 1.556 2.304 1.00 0.00 C ATOM 584 CG1 ILE A 46 4.475 2.570 1.348 1.00 0.00 C ATOM 585 CG2 ILE A 46 4.382 0.220 2.221 1.00 0.00 C ATOM 586 CD1 ILE A 46 4.693 2.241 -0.113 1.00 0.00 C ATOM 0 H ILE A 46 6.811 3.266 3.866 1.00 0.00 H new ATOM 0 HA ILE A 46 4.045 2.288 4.033 1.00 0.00 H new ATOM 0 HB ILE A 46 6.144 1.404 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.404 2.624 1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.887 3.558 1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.410 -0.146 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.871 -0.500 2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.345 0.348 2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.218 3.002 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.762 2.216 -0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.256 1.268 -0.336 1.00 0.00 H new ATOM 598 N ALA A 47 4.815 0.443 5.504 1.00 0.00 N ATOM 599 CA ALA A 47 5.251 -0.585 6.442 1.00 0.00 C ATOM 600 C ALA A 47 4.326 -1.795 6.401 1.00 0.00 C ATOM 601 O ALA A 47 3.107 -1.663 6.515 1.00 0.00 O ATOM 602 CB ALA A 47 5.317 -0.017 7.853 1.00 0.00 C ATOM 0 H ALA A 47 3.818 0.653 5.542 1.00 0.00 H new ATOM 0 HA ALA A 47 6.247 -0.913 6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.644 -0.795 8.543 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.024 0.812 7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.330 0.339 8.148 1.00 0.00 H new ATOM 608 N VAL A 48 4.913 -2.977 6.235 1.00 0.00 N ATOM 609 CA VAL A 48 4.140 -4.213 6.179 1.00 0.00 C ATOM 610 C VAL A 48 4.226 -4.974 7.497 1.00 0.00 C ATOM 611 O VAL A 48 5.316 -5.300 7.967 1.00 0.00 O ATOM 612 CB VAL A 48 4.625 -5.126 5.038 1.00 0.00 C ATOM 613 CG1 VAL A 48 3.887 -6.456 5.068 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.447 -4.438 3.693 1.00 0.00 C ATOM 0 H VAL A 48 5.920 -3.104 6.137 1.00 0.00 H new ATOM 0 HA VAL A 48 3.104 -3.931 5.993 1.00 0.00 H new ATOM 0 HB VAL A 48 5.687 -5.324 5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.243 -7.088 4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.071 -6.953 6.021 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.818 -6.281 4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.795 -5.098 2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.393 -4.208 3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.026 -3.514 3.677 1.00 0.00 H new ATOM 624 N GLU A 49 3.069 -5.258 8.086 1.00 0.00 N ATOM 625 CA GLU A 49 3.014 -5.982 9.351 1.00 0.00 C ATOM 626 C GLU A 49 1.968 -7.092 9.297 1.00 0.00 C ATOM 627 O GLU A 49 0.803 -6.848 8.986 1.00 0.00 O ATOM 628 CB GLU A 49 2.697 -5.023 10.501 1.00 0.00 C ATOM 629 CG GLU A 49 3.733 -3.925 10.681 1.00 0.00 C ATOM 630 CD GLU A 49 3.227 -2.781 11.538 1.00 0.00 C ATOM 631 OE1 GLU A 49 2.865 -3.031 12.708 1.00 0.00 O ATOM 632 OE2 GLU A 49 3.193 -1.637 11.040 1.00 0.00 O ATOM 0 H GLU A 49 2.158 -4.998 7.708 1.00 0.00 H new ATOM 0 HA GLU A 49 3.991 -6.434 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.723 -4.567 10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.619 -5.593 11.427 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.629 -4.347 11.137 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.024 -3.541 9.703 1.00 0.00 H new ATOM 639 N GLY A 50 2.393 -8.314 9.603 1.00 0.00 N ATOM 640 CA GLY A 50 1.483 -9.443 9.583 1.00 0.00 C ATOM 641 C GLY A 50 1.875 -10.523 10.572 1.00 0.00 C ATOM 642 O GLY A 50 2.587 -10.274 11.545 1.00 0.00 O ATOM 0 H GLY A 50 3.352 -8.542 9.865 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.475 -9.097 9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.457 -9.867 8.579 1.00 0.00 H new ATOM 646 N PRO A 51 1.405 -11.755 10.328 1.00 0.00 N ATOM 647 CA PRO A 51 1.697 -12.900 11.195 1.00 0.00 C ATOM 648 C PRO A 51 3.156 -13.335 11.108 1.00 0.00 C ATOM 649 O PRO A 51 3.628 -14.121 11.928 1.00 0.00 O ATOM 650 CB PRO A 51 0.778 -13.999 10.652 1.00 0.00 C ATOM 651 CG PRO A 51 0.543 -13.627 9.229 1.00 0.00 C ATOM 652 CD PRO A 51 0.550 -12.124 9.187 1.00 0.00 C ATOM 0 HA PRO A 51 1.532 -12.668 12.247 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.244 -14.981 10.733 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.158 -14.044 11.209 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.320 -14.039 8.585 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.409 -14.023 8.874 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.953 -11.750 8.246 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.455 -11.714 9.289 1.00 0.00 H new ATOM 660 N SER A 52 3.864 -12.817 10.109 1.00 0.00 N ATOM 661 CA SER A 52 5.270 -13.155 9.914 1.00 0.00 C ATOM 662 C SER A 52 6.015 -12.010 9.235 1.00 0.00 C ATOM 663 O SER A 52 5.421 -11.209 8.512 1.00 0.00 O ATOM 664 CB SER A 52 5.398 -14.429 9.076 1.00 0.00 C ATOM 665 OG SER A 52 4.778 -15.528 9.721 1.00 0.00 O ATOM 0 H SER A 52 3.488 -12.163 9.423 1.00 0.00 H new ATOM 0 HA SER A 52 5.716 -13.326 10.894 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.942 -14.272 8.098 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.451 -14.651 8.904 1.00 0.00 H new ATOM 0 HG SER A 52 5.328 -16.330 9.602 1.00 0.00 H new ATOM 671 N LYS A 53 7.319 -11.936 9.474 1.00 0.00 N ATOM 672 CA LYS A 53 8.148 -10.890 8.887 1.00 0.00 C ATOM 673 C LYS A 53 7.972 -10.844 7.373 1.00 0.00 C ATOM 674 O LYS A 53 7.859 -11.881 6.719 1.00 0.00 O ATOM 675 CB LYS A 53 9.621 -11.124 9.234 1.00 0.00 C ATOM 676 CG LYS A 53 10.542 -10.019 8.746 1.00 0.00 C ATOM 677 CD LYS A 53 10.357 -8.743 9.551 1.00 0.00 C ATOM 678 CE LYS A 53 11.325 -7.658 9.107 1.00 0.00 C ATOM 679 NZ LYS A 53 11.278 -6.471 10.004 1.00 0.00 N ATOM 0 H LYS A 53 7.826 -12.589 10.071 1.00 0.00 H new ATOM 0 HA LYS A 53 7.831 -9.933 9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.721 -11.218 10.315 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.942 -12.071 8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.578 -10.349 8.819 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.345 -9.818 7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.333 -8.386 9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.507 -8.955 10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.338 -8.060 9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.086 -7.353 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.952 -5.754 9.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.318 -6.071 10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.531 -6.757 10.971 1.00 0.00 H new ATOM 693 N ALA A 54 7.953 -9.635 6.821 1.00 0.00 N ATOM 694 CA ALA A 54 7.796 -9.455 5.383 1.00 0.00 C ATOM 695 C ALA A 54 8.920 -8.597 4.811 1.00 0.00 C ATOM 696 O ALA A 54 9.401 -7.672 5.465 1.00 0.00 O ATOM 697 CB ALA A 54 6.444 -8.829 5.075 1.00 0.00 C ATOM 0 H ALA A 54 8.044 -8.766 7.348 1.00 0.00 H new ATOM 0 HA ALA A 54 7.847 -10.436 4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.340 -8.700 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.650 -9.480 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.372 -7.858 5.565 1.00 0.00 H new ATOM 703 N GLU A 55 9.334 -8.912 3.587 1.00 0.00 N ATOM 704 CA GLU A 55 10.403 -8.170 2.930 1.00 0.00 C ATOM 705 C GLU A 55 9.853 -6.934 2.223 1.00 0.00 C ATOM 706 O GLU A 55 8.732 -6.945 1.714 1.00 0.00 O ATOM 707 CB GLU A 55 11.130 -9.065 1.923 1.00 0.00 C ATOM 708 CG GLU A 55 12.413 -8.455 1.383 1.00 0.00 C ATOM 709 CD GLU A 55 13.132 -9.374 0.414 1.00 0.00 C ATOM 710 OE1 GLU A 55 13.516 -10.488 0.826 1.00 0.00 O ATOM 711 OE2 GLU A 55 13.310 -8.977 -0.757 1.00 0.00 O ATOM 0 H GLU A 55 8.946 -9.675 3.032 1.00 0.00 H new ATOM 0 HA GLU A 55 11.109 -7.846 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.362 -10.018 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.460 -9.279 1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.182 -7.515 0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.077 -8.219 2.215 1.00 0.00 H new ATOM 718 N ILE A 56 10.651 -5.871 2.197 1.00 0.00 N ATOM 719 CA ILE A 56 10.244 -4.628 1.554 1.00 0.00 C ATOM 720 C ILE A 56 11.408 -3.992 0.802 1.00 0.00 C ATOM 721 O ILE A 56 12.532 -3.943 1.302 1.00 0.00 O ATOM 722 CB ILE A 56 9.695 -3.617 2.577 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.515 -4.222 3.342 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.278 -2.331 1.881 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.352 -3.667 4.740 1.00 0.00 C ATOM 0 H ILE A 56 11.582 -5.846 2.613 1.00 0.00 H new ATOM 0 HA ILE A 56 9.453 -4.883 0.848 1.00 0.00 H new ATOM 0 HB ILE A 56 10.484 -3.381 3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.598 -4.044 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.647 -5.302 3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.892 -1.627 2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.140 -1.893 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.502 -2.550 1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.497 -4.141 5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.253 -3.869 5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.188 -2.591 4.687 1.00 0.00 H new ATOM 737 N THR A 57 11.131 -3.503 -0.403 1.00 0.00 N ATOM 738 CA THR A 57 12.155 -2.869 -1.224 1.00 0.00 C ATOM 739 C THR A 57 11.691 -1.506 -1.725 1.00 0.00 C ATOM 740 O THR A 57 10.783 -1.414 -2.552 1.00 0.00 O ATOM 741 CB THR A 57 12.530 -3.748 -2.432 1.00 0.00 C ATOM 742 OG1 THR A 57 12.802 -5.085 -2.000 1.00 0.00 O ATOM 743 CG2 THR A 57 13.745 -3.186 -3.154 1.00 0.00 C ATOM 0 H THR A 57 10.206 -3.534 -0.832 1.00 0.00 H new ATOM 0 HA THR A 57 13.033 -2.741 -0.592 1.00 0.00 H new ATOM 0 HB THR A 57 11.687 -3.755 -3.123 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.038 -5.637 -2.774 1.00 0.00 H new ATOM 0 HG21 THR A 57 13.991 -3.824 -4.003 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.524 -2.179 -3.508 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.592 -3.152 -2.469 1.00 0.00 H new ATOM 884 N VAL A 68 6.910 0.104 -5.106 1.00 0.00 N ATOM 885 CA VAL A 68 7.201 -0.584 -3.854 1.00 0.00 C ATOM 886 C VAL A 68 6.872 -2.069 -3.953 1.00 0.00 C ATOM 887 O VAL A 68 5.753 -2.445 -4.301 1.00 0.00 O ATOM 888 CB VAL A 68 6.413 0.030 -2.682 1.00 0.00 C ATOM 889 CG1 VAL A 68 6.678 -0.742 -1.399 1.00 0.00 C ATOM 890 CG2 VAL A 68 6.767 1.499 -2.512 1.00 0.00 C ATOM 0 HA VAL A 68 8.268 -0.465 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 68 5.349 -0.039 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.113 -0.294 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.369 -1.779 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.742 -0.707 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.200 1.916 -1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.834 1.595 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.521 2.041 -3.425 1.00 0.00 H new ATOM 900 N SER A 69 7.854 -2.909 -3.644 1.00 0.00 N ATOM 901 CA SER A 69 7.669 -4.354 -3.701 1.00 0.00 C ATOM 902 C SER A 69 7.861 -4.981 -2.323 1.00 0.00 C ATOM 903 O SER A 69 8.636 -4.484 -1.505 1.00 0.00 O ATOM 904 CB SER A 69 8.650 -4.976 -4.697 1.00 0.00 C ATOM 905 OG SER A 69 9.970 -4.975 -4.182 1.00 0.00 O ATOM 0 H SER A 69 8.786 -2.614 -3.352 1.00 0.00 H new ATOM 0 HA SER A 69 6.650 -4.552 -4.033 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.345 -5.998 -4.922 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.622 -4.421 -5.635 1.00 0.00 H new ATOM 0 HG SER A 69 10.577 -5.379 -4.837 1.00 0.00 H new ATOM 911 N TYR A 70 7.151 -6.075 -2.074 1.00 0.00 N ATOM 912 CA TYR A 70 7.240 -6.770 -0.795 1.00 0.00 C ATOM 913 C TYR A 70 6.979 -8.263 -0.966 1.00 0.00 C ATOM 914 O TYR A 70 6.304 -8.683 -1.907 1.00 0.00 O ATOM 915 CB TYR A 70 6.241 -6.178 0.201 1.00 0.00 C ATOM 916 CG TYR A 70 4.806 -6.564 -0.079 1.00 0.00 C ATOM 917 CD1 TYR A 70 4.079 -5.935 -1.082 1.00 0.00 C ATOM 918 CD2 TYR A 70 4.178 -7.560 0.660 1.00 0.00 C ATOM 919 CE1 TYR A 70 2.768 -6.285 -1.340 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.867 -7.917 0.408 1.00 0.00 C ATOM 921 CZ TYR A 70 2.166 -7.275 -0.593 1.00 0.00 C ATOM 922 OH TYR A 70 0.861 -7.627 -0.848 1.00 0.00 O ATOM 0 H TYR A 70 6.507 -6.500 -2.741 1.00 0.00 H new ATOM 0 HA TYR A 70 8.251 -6.638 -0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.507 -6.504 1.207 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.326 -5.091 0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.547 -5.159 -1.670 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.724 -8.063 1.444 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.217 -5.785 -2.123 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.394 -8.694 0.991 1.00 0.00 H new ATOM 0 HH TYR A 70 0.589 -8.341 -0.234 1.00 0.00 H new ATOM 932 N ILE A 71 7.521 -9.060 -0.051 1.00 0.00 N ATOM 933 CA ILE A 71 7.347 -10.506 -0.100 1.00 0.00 C ATOM 934 C ILE A 71 7.049 -11.071 1.285 1.00 0.00 C ATOM 935 O ILE A 71 7.738 -10.757 2.256 1.00 0.00 O ATOM 936 CB ILE A 71 8.596 -11.205 -0.669 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.790 -10.831 -2.140 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.477 -12.714 -0.511 1.00 0.00 C ATOM 939 CD1 ILE A 71 10.147 -11.217 -2.686 1.00 0.00 C ATOM 0 H ILE A 71 8.084 -8.729 0.733 1.00 0.00 H new ATOM 0 HA ILE A 71 6.501 -10.699 -0.759 1.00 0.00 H new ATOM 0 HB ILE A 71 9.469 -10.869 -0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.016 -11.316 -2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.653 -9.756 -2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.367 -13.194 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.382 -12.963 0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.597 -13.068 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.215 -10.922 -3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.926 -10.712 -2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.279 -12.296 -2.603 1.00 0.00 H new ATOM 951 N ALA A 72 6.019 -11.906 1.369 1.00 0.00 N ATOM 952 CA ALA A 72 5.632 -12.518 2.634 1.00 0.00 C ATOM 953 C ALA A 72 5.970 -14.005 2.652 1.00 0.00 C ATOM 954 O ALA A 72 5.221 -14.827 2.126 1.00 0.00 O ATOM 955 CB ALA A 72 4.146 -12.310 2.888 1.00 0.00 C ATOM 0 H ALA A 72 5.437 -12.174 0.575 1.00 0.00 H new ATOM 0 HA ALA A 72 6.197 -12.034 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.871 -12.772 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.930 -11.242 2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.572 -12.766 2.082 1.00 0.00 H new ATOM 961 N GLN A 73 7.104 -14.341 3.258 1.00 0.00 N ATOM 962 CA GLN A 73 7.541 -15.730 3.341 1.00 0.00 C ATOM 963 C GLN A 73 6.369 -16.651 3.666 1.00 0.00 C ATOM 964 O GLN A 73 6.245 -17.736 3.098 1.00 0.00 O ATOM 965 CB GLN A 73 8.633 -15.881 4.402 1.00 0.00 C ATOM 966 CG GLN A 73 9.854 -15.013 4.145 1.00 0.00 C ATOM 967 CD GLN A 73 10.268 -15.004 2.687 1.00 0.00 C ATOM 968 OE1 GLN A 73 10.113 -16.000 1.980 1.00 0.00 O ATOM 969 NE2 GLN A 73 10.798 -13.877 2.227 1.00 0.00 N ATOM 0 H GLN A 73 7.736 -13.672 3.698 1.00 0.00 H new ATOM 0 HA GLN A 73 7.946 -16.016 2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.217 -15.629 5.378 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.943 -16.925 4.447 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.643 -13.993 4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.685 -15.372 4.752 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.908 -13.075 2.847 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.095 -13.813 1.253 1.00 0.00 H new ATOM 978 N GLU A 74 5.514 -16.212 4.584 1.00 0.00 N ATOM 979 CA GLU A 74 4.354 -16.998 4.985 1.00 0.00 C ATOM 980 C GLU A 74 3.058 -16.289 4.602 1.00 0.00 C ATOM 981 O GLU A 74 2.952 -15.063 4.656 1.00 0.00 O ATOM 982 CB GLU A 74 4.381 -17.257 6.492 1.00 0.00 C ATOM 983 CG GLU A 74 5.657 -17.929 6.972 1.00 0.00 C ATOM 984 CD GLU A 74 5.709 -19.402 6.618 1.00 0.00 C ATOM 985 OE1 GLU A 74 4.863 -20.165 7.131 1.00 0.00 O ATOM 986 OE2 GLU A 74 6.595 -19.794 5.829 1.00 0.00 O ATOM 0 H GLU A 74 5.603 -15.316 5.064 1.00 0.00 H new ATOM 0 HA GLU A 74 4.395 -17.952 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.260 -16.310 7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.529 -17.881 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.517 -17.423 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.738 -17.816 8.053 1.00 0.00 H new ATOM 993 N PRO A 75 2.047 -17.078 4.208 1.00 0.00 N ATOM 994 CA PRO A 75 0.739 -16.548 3.809 1.00 0.00 C ATOM 995 C PRO A 75 -0.039 -15.975 4.989 1.00 0.00 C ATOM 996 O PRO A 75 0.124 -16.419 6.125 1.00 0.00 O ATOM 997 CB PRO A 75 0.021 -17.772 3.237 1.00 0.00 C ATOM 998 CG PRO A 75 0.666 -18.937 3.905 1.00 0.00 C ATOM 999 CD PRO A 75 2.103 -18.546 4.120 1.00 0.00 C ATOM 0 HA PRO A 75 0.831 -15.723 3.103 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.048 -17.738 3.447 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.132 -17.826 2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.177 -19.164 4.852 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.593 -19.832 3.286 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.508 -18.988 5.030 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.737 -18.875 3.297 1.00 0.00 H new ATOM 1007 N GLY A 76 -0.885 -14.988 4.711 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.676 -14.372 5.761 1.00 0.00 C ATOM 1009 C GLY A 76 -2.093 -12.956 5.417 1.00 0.00 C ATOM 1010 O GLY A 76 -1.766 -12.449 4.344 1.00 0.00 O ATOM 0 H GLY A 76 -1.037 -14.604 3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.565 -14.975 5.943 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.101 -14.363 6.687 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.820 -12.317 6.327 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.286 -10.952 6.113 1.00 0.00 C ATOM 1016 C ASN A 77 -2.243 -9.942 6.584 1.00 0.00 C ATOM 1017 O ASN A 77 -2.093 -9.702 7.782 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.606 -10.720 6.850 1.00 0.00 C ATOM 1019 CG ASN A 77 -5.668 -11.732 6.467 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -5.410 -12.936 6.436 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -6.869 -11.247 6.173 1.00 0.00 N ATOM 0 H ASN A 77 -3.099 -12.723 7.220 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.446 -10.812 5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.432 -10.769 7.925 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.969 -9.716 6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.624 -11.880 5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.037 -10.242 6.212 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.526 -9.353 5.634 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.497 -8.371 5.950 1.00 0.00 C ATOM 1030 C TYR A 78 -1.054 -6.953 5.874 1.00 0.00 C ATOM 1031 O TYR A 78 -1.433 -6.481 4.802 1.00 0.00 O ATOM 1032 CB TYR A 78 0.689 -8.516 4.994 1.00 0.00 C ATOM 1033 CG TYR A 78 1.552 -9.725 5.280 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.119 -11.005 4.958 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.802 -9.586 5.871 1.00 0.00 C ATOM 1036 CE1 TYR A 78 1.904 -12.112 5.218 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.595 -10.686 6.134 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.141 -11.947 5.805 1.00 0.00 C ATOM 1039 OH TYR A 78 3.926 -13.046 6.064 1.00 0.00 O ATOM 0 H TYR A 78 -1.639 -9.539 4.637 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.158 -8.555 6.970 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.316 -8.580 3.972 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.304 -7.618 5.053 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.152 -11.137 4.496 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.160 -8.600 6.129 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.551 -13.100 4.963 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.564 -10.560 6.594 1.00 0.00 H new ATOM 0 HH TYR A 78 3.527 -13.838 5.647 1.00 0.00 H new ATOM 1049 N GLU A 79 -1.102 -6.280 7.020 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.614 -4.916 7.083 1.00 0.00 C ATOM 1051 C GLU A 79 -0.525 -3.910 6.724 1.00 0.00 C ATOM 1052 O GLU A 79 0.355 -3.615 7.533 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.160 -4.618 8.480 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.292 -3.604 8.488 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.532 -3.007 9.860 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.555 -2.871 10.627 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.697 -2.677 10.170 1.00 0.00 O ATOM 0 H GLU A 79 -0.793 -6.657 7.916 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.423 -4.824 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.512 -5.547 8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.348 -4.249 9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.063 -2.805 7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.207 -4.084 8.140 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.590 -3.385 5.505 1.00 0.00 N ATOM 1065 CA VAL A 80 0.388 -2.410 5.037 1.00 0.00 C ATOM 1066 C VAL A 80 -0.008 -0.995 5.443 1.00 0.00 C ATOM 1067 O VAL A 80 -0.956 -0.426 4.903 1.00 0.00 O ATOM 1068 CB VAL A 80 0.551 -2.467 3.507 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.692 -1.569 3.057 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.777 -3.900 3.048 1.00 0.00 C ATOM 0 H VAL A 80 -1.311 -3.619 4.822 1.00 0.00 H new ATOM 0 HA VAL A 80 1.338 -2.666 5.505 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.368 -2.103 3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.792 -1.623 1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.484 -0.541 3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.620 -1.899 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.890 -3.921 1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.680 -4.293 3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.077 -4.513 3.336 1.00 0.00 H new ATOM 1080 N SER A 81 0.726 -0.432 6.398 1.00 0.00 N ATOM 1081 CA SER A 81 0.449 0.917 6.879 1.00 0.00 C ATOM 1082 C SER A 81 1.130 1.959 5.998 1.00 0.00 C ATOM 1083 O SER A 81 2.345 1.925 5.802 1.00 0.00 O ATOM 1084 CB SER A 81 0.921 1.071 8.326 1.00 0.00 C ATOM 1085 OG SER A 81 0.595 2.353 8.835 1.00 0.00 O ATOM 0 H SER A 81 1.516 -0.889 6.854 1.00 0.00 H new ATOM 0 HA SER A 81 -0.628 1.078 6.835 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.460 0.302 8.946 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.999 0.919 8.378 1.00 0.00 H new ATOM 0 HG SER A 81 0.906 2.426 9.762 1.00 0.00 H new ATOM 1091 N ILE A 82 0.338 2.883 5.466 1.00 0.00 N ATOM 1092 CA ILE A 82 0.863 3.936 4.605 1.00 0.00 C ATOM 1093 C ILE A 82 0.624 5.314 5.213 1.00 0.00 C ATOM 1094 O ILE A 82 -0.493 5.642 5.616 1.00 0.00 O ATOM 1095 CB ILE A 82 0.225 3.889 3.204 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.463 2.521 2.558 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.787 4.998 2.329 1.00 0.00 C ATOM 1098 CD1 ILE A 82 -0.160 2.385 1.187 1.00 0.00 C ATOM 0 H ILE A 82 -0.670 2.924 5.616 1.00 0.00 H new ATOM 0 HA ILE A 82 1.935 3.762 4.513 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.850 4.041 3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.536 2.347 2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.061 1.745 3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.326 4.952 1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.573 5.965 2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.866 4.874 2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.048 1.392 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.238 2.527 1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.260 3.138 0.520 1.00 0.00 H new ATOM 1110 N LYS A 83 1.680 6.118 5.276 1.00 0.00 N ATOM 1111 CA LYS A 83 1.585 7.462 5.831 1.00 0.00 C ATOM 1112 C LYS A 83 2.183 8.490 4.875 1.00 0.00 C ATOM 1113 O LYS A 83 3.342 8.380 4.476 1.00 0.00 O ATOM 1114 CB LYS A 83 2.303 7.530 7.181 1.00 0.00 C ATOM 1115 CG LYS A 83 1.409 7.194 8.363 1.00 0.00 C ATOM 1116 CD LYS A 83 1.876 7.889 9.631 1.00 0.00 C ATOM 1117 CE LYS A 83 3.127 7.232 10.197 1.00 0.00 C ATOM 1118 NZ LYS A 83 2.798 6.053 11.044 1.00 0.00 N ATOM 0 H LYS A 83 2.612 5.862 4.949 1.00 0.00 H new ATOM 0 HA LYS A 83 0.530 7.695 5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.148 6.842 7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.709 8.532 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.384 7.491 8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.402 6.115 8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.079 8.939 9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.081 7.863 10.376 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.776 6.921 9.378 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.684 7.959 10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.676 5.633 11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.199 6.353 11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.289 5.348 10.474 1.00 0.00 H new ATOM 1132 N PHE A 84 1.385 9.488 4.512 1.00 0.00 N ATOM 1133 CA PHE A 84 1.835 10.536 3.602 1.00 0.00 C ATOM 1134 C PHE A 84 2.281 11.773 4.376 1.00 0.00 C ATOM 1135 O PHE A 84 1.461 12.492 4.944 1.00 0.00 O ATOM 1136 CB PHE A 84 0.719 10.907 2.625 1.00 0.00 C ATOM 1137 CG PHE A 84 1.068 12.057 1.725 1.00 0.00 C ATOM 1138 CD1 PHE A 84 1.915 11.875 0.644 1.00 0.00 C ATOM 1139 CD2 PHE A 84 0.547 13.320 1.958 1.00 0.00 C ATOM 1140 CE1 PHE A 84 2.239 12.932 -0.186 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.867 14.380 1.132 1.00 0.00 C ATOM 1142 CZ PHE A 84 1.713 14.186 0.058 1.00 0.00 C ATOM 0 H PHE A 84 0.423 9.594 4.834 1.00 0.00 H new ATOM 0 HA PHE A 84 2.687 10.153 3.040 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.479 10.037 2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.179 11.158 3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.327 10.896 0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.117 13.477 2.795 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.902 12.778 -1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.456 15.360 1.326 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.963 15.013 -0.590 1.00 0.00 H new ATOM 1152 N ASN A 85 3.588 12.013 4.394 1.00 0.00 N ATOM 1153 CA ASN A 85 4.145 13.163 5.097 1.00 0.00 C ATOM 1154 C ASN A 85 3.924 13.037 6.603 1.00 0.00 C ATOM 1155 O ASN A 85 3.695 14.031 7.291 1.00 0.00 O ATOM 1156 CB ASN A 85 3.513 14.456 4.584 1.00 0.00 C ATOM 1157 CG ASN A 85 3.674 14.624 3.085 1.00 0.00 C ATOM 1158 OD1 ASN A 85 3.783 13.643 2.349 1.00 0.00 O ATOM 1159 ND2 ASN A 85 3.688 15.871 2.627 1.00 0.00 N ATOM 0 H ASN A 85 4.281 11.426 3.930 1.00 0.00 H new ATOM 0 HA ASN A 85 5.218 13.191 4.905 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.452 14.464 4.836 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.967 15.306 5.093 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.792 16.046 1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 85 3.594 16.653 3.275 1.00 0.00 H new ATOM 1166 N ASP A 86 3.995 11.810 7.105 1.00 0.00 N ATOM 1167 CA ASP A 86 3.804 11.554 8.528 1.00 0.00 C ATOM 1168 C ASP A 86 2.337 11.697 8.914 1.00 0.00 C ATOM 1169 O ASP A 86 2.015 12.100 10.031 1.00 0.00 O ATOM 1170 CB ASP A 86 4.659 12.513 9.359 1.00 0.00 C ATOM 1171 CG ASP A 86 5.048 11.927 10.702 1.00 0.00 C ATOM 1172 OD1 ASP A 86 4.984 10.688 10.849 1.00 0.00 O ATOM 1173 OD2 ASP A 86 5.413 12.706 11.606 1.00 0.00 O ATOM 0 H ASP A 86 4.183 10.976 6.548 1.00 0.00 H new ATOM 0 HA ASP A 86 4.116 10.530 8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.561 12.767 8.802 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.110 13.441 9.516 1.00 0.00 H new ATOM 1178 N GLU A 87 1.449 11.365 7.982 1.00 0.00 N ATOM 1179 CA GLU A 87 0.014 11.458 8.224 1.00 0.00 C ATOM 1180 C GLU A 87 -0.704 10.205 7.731 1.00 0.00 C ATOM 1181 O GLU A 87 -0.355 9.645 6.691 1.00 0.00 O ATOM 1182 CB GLU A 87 -0.563 12.695 7.533 1.00 0.00 C ATOM 1183 CG GLU A 87 -0.516 13.949 8.392 1.00 0.00 C ATOM 1184 CD GLU A 87 -1.249 15.116 7.759 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -0.989 15.408 6.573 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -2.082 15.738 8.451 1.00 0.00 O ATOM 0 H GLU A 87 1.698 11.029 7.052 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.142 11.545 9.299 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.012 12.876 6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.597 12.495 7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.955 13.734 9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.523 14.228 8.565 1.00 0.00 H new ATOM 1193 N HIS A 88 -1.709 9.771 8.485 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.477 8.584 8.125 1.00 0.00 C ATOM 1195 C HIS A 88 -3.631 8.945 7.194 1.00 0.00 C ATOM 1196 O HIS A 88 -4.518 9.716 7.561 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.015 7.899 9.382 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.114 6.826 9.912 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -1.093 6.887 10.797 1.00 0.00 N flip ATOM 1200 CD2 HIS A 88 -2.212 5.505 9.531 1.00 0.00 C flip ATOM 1201 CE1 HIS A 88 -0.597 5.613 10.935 1.00 0.00 C flip ATOM 1202 NE2 HIS A 88 -1.290 4.798 10.161 1.00 0.00 N flip ATOM 0 H HIS A 88 -2.010 10.223 9.348 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.813 7.896 7.601 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.168 8.649 10.158 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.991 7.466 9.161 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.930 5.110 8.828 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.226 5.325 11.573 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.139 3.794 10.066 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.611 8.384 5.991 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.655 8.647 5.009 1.00 0.00 C ATOM 1212 C ILE A 89 -5.904 7.823 5.300 1.00 0.00 C ATOM 1213 O ILE A 89 -5.860 6.807 5.993 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.174 8.340 3.578 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.194 7.165 3.588 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.526 9.571 2.962 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.968 6.555 2.222 1.00 0.00 C ATOM 0 H ILE A 89 -2.883 7.744 5.672 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.896 9.707 5.083 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.037 8.065 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.238 7.503 3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.569 6.396 4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.191 9.339 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.251 10.384 2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.671 9.873 3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.263 5.728 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.915 6.186 1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.564 7.311 1.548 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.047 8.268 4.757 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.330 7.584 4.943 1.00 0.00 C ATOM 1231 C PRO A 90 -8.388 6.248 4.209 1.00 0.00 C ATOM 1232 O PRO A 90 -9.419 5.577 4.206 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.344 8.564 4.347 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.565 9.360 3.358 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.174 9.472 3.918 1.00 0.00 C ATOM 0 HA PRO A 90 -8.514 7.342 5.990 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.170 8.037 3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.777 9.203 5.117 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.555 8.870 2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.008 10.345 3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.423 9.493 3.128 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.048 10.384 4.502 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.274 5.870 3.591 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.199 4.613 2.855 1.00 0.00 C ATOM 1245 C GLU A 91 -6.199 3.661 3.504 1.00 0.00 C ATOM 1246 O GLU A 91 -6.035 2.523 3.065 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.801 4.872 1.400 1.00 0.00 C ATOM 1248 CG GLU A 91 -7.857 5.622 0.605 1.00 0.00 C ATOM 1249 CD GLU A 91 -9.163 4.857 0.503 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -9.132 3.688 0.062 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -10.215 5.425 0.862 1.00 0.00 O ATOM 0 H GLU A 91 -6.412 6.415 3.585 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.185 4.149 2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.872 5.442 1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.600 3.918 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.042 6.588 1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.478 5.822 -0.397 1.00 0.00 H new ATOM 1258 N SER A 92 -5.535 4.134 4.554 1.00 0.00 N ATOM 1259 CA SER A 92 -4.549 3.327 5.262 1.00 0.00 C ATOM 1260 C SER A 92 -4.892 3.229 6.745 1.00 0.00 C ATOM 1261 O SER A 92 -5.567 4.089 7.311 1.00 0.00 O ATOM 1262 CB SER A 92 -3.151 3.923 5.089 1.00 0.00 C ATOM 1263 OG SER A 92 -2.847 4.826 6.138 1.00 0.00 O ATOM 0 H SER A 92 -5.662 5.072 4.933 1.00 0.00 H new ATOM 0 HA SER A 92 -4.563 2.324 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.411 3.123 5.068 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.089 4.439 4.131 1.00 0.00 H new ATOM 0 HG SER A 92 -1.878 4.964 6.180 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.415 2.155 7.392 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.611 1.124 6.728 1.00 0.00 C ATOM 1271 C PRO A 93 -4.430 0.292 5.748 1.00 0.00 C ATOM 1272 O PRO A 93 -5.654 0.412 5.687 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.123 0.253 7.890 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.139 0.448 8.962 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.626 1.864 8.820 1.00 0.00 C ATOM 0 HA PRO A 93 -2.807 1.555 6.132 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.053 -0.795 7.597 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.131 0.558 8.224 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.961 -0.260 8.854 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.703 0.282 9.947 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.676 1.958 9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.065 2.548 9.457 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.747 -0.551 4.981 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.412 -1.401 3.999 1.00 0.00 C ATOM 1285 C TYR A 94 -4.339 -2.868 4.412 1.00 0.00 C ATOM 1286 O TYR A 94 -3.394 -3.291 5.080 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.779 -1.215 2.620 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.940 0.180 2.062 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.208 1.245 2.576 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.823 0.436 1.021 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.354 2.522 2.071 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.973 1.710 0.507 1.00 0.00 C ATOM 1293 CZ TYR A 94 -4.236 2.749 1.036 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.382 4.020 0.528 1.00 0.00 O ATOM 0 H TYR A 94 -2.734 -0.664 5.020 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.461 -1.107 3.951 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.717 -1.452 2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.224 -1.928 1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.513 1.070 3.384 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.403 -0.375 0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.780 3.338 2.485 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.663 1.891 -0.304 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.570 4.273 0.041 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.342 -3.639 4.010 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.393 -5.060 4.336 1.00 0.00 C ATOM 1306 C LEU A 95 -5.318 -5.912 3.072 1.00 0.00 C ATOM 1307 O LEU A 95 -6.238 -5.911 2.255 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.677 -5.381 5.105 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.782 -6.797 5.671 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.522 -7.161 6.440 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -8.009 -6.924 6.564 1.00 0.00 C ATOM 0 H LEU A 95 -6.132 -3.305 3.458 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.532 -5.295 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.770 -4.674 5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.526 -5.212 4.442 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.888 -7.493 4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.616 -8.173 6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.661 -7.111 5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.384 -6.461 7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.068 -7.938 6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.932 -6.217 7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.906 -6.707 5.983 1.00 0.00 H new ATOM 1323 N VAL A 96 -4.216 -6.640 2.921 1.00 0.00 N ATOM 1324 CA VAL A 96 -4.020 -7.499 1.759 1.00 0.00 C ATOM 1325 C VAL A 96 -3.880 -8.959 2.173 1.00 0.00 C ATOM 1326 O VAL A 96 -2.851 -9.386 2.697 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.775 -7.082 0.956 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.711 -7.839 -0.362 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.772 -5.580 0.718 1.00 0.00 C ATOM 0 H VAL A 96 -3.445 -6.652 3.589 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.903 -7.386 1.129 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.888 -7.336 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.824 -7.531 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.662 -8.910 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.601 -7.619 -0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.884 -5.304 0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.664 -5.298 0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.765 -5.060 1.676 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.939 -9.746 1.934 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.958 -11.172 2.272 1.00 0.00 C ATOM 1341 C PRO A 97 -4.025 -11.992 1.387 1.00 0.00 C ATOM 1342 O PRO A 97 -4.361 -12.321 0.250 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.415 -11.576 2.031 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.917 -10.596 1.027 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.199 -9.306 1.312 1.00 0.00 C ATOM 0 HA PRO A 97 -4.614 -11.352 3.290 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.486 -12.598 1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.996 -11.532 2.952 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.715 -10.939 0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.996 -10.469 1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.019 -8.736 0.400 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.774 -8.665 1.980 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.850 -12.318 1.917 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.869 -13.101 1.174 1.00 0.00 C ATOM 1355 C VAL A 98 -2.134 -14.595 1.319 1.00 0.00 C ATOM 1356 O VAL A 98 -2.473 -15.074 2.402 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.435 -12.798 1.649 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.576 -13.593 0.838 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.148 -11.306 1.558 1.00 0.00 C ATOM 0 H VAL A 98 -2.555 -12.053 2.857 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.966 -12.818 0.126 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.346 -13.100 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.583 -13.366 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.382 -14.659 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.489 -13.325 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.869 -11.110 1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.255 -10.977 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.852 -10.761 2.187 1.00 0.00 H new ATOM 1369 N ILE A 99 -1.977 -15.327 0.221 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.199 -16.767 0.226 1.00 0.00 C ATOM 1371 C ILE A 99 -1.023 -17.506 -0.405 1.00 0.00 C ATOM 1372 O ILE A 99 -0.286 -16.944 -1.214 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.489 -17.140 -0.528 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.409 -16.678 -1.983 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.700 -16.531 0.162 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.347 -17.421 -2.906 1.00 0.00 C ATOM 0 H ILE A 99 -1.697 -14.946 -0.683 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.297 -17.068 1.269 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.597 -18.225 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.635 -15.613 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.387 -16.803 -2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.604 -16.803 -0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.764 -16.907 1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.601 -15.446 0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.236 -17.040 -3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.108 -18.484 -2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.375 -17.275 -2.575 1.00 0.00 H new ATOM 1388 N ALA A 100 -0.857 -18.771 -0.031 1.00 0.00 N ATOM 1389 CA ALA A 100 0.227 -19.588 -0.563 1.00 0.00 C ATOM 1390 C ALA A 100 -0.116 -20.117 -1.951 1.00 0.00 C ATOM 1391 O ALA A 100 -1.038 -20.913 -2.129 1.00 0.00 O ATOM 1392 CB ALA A 100 0.531 -20.741 0.383 1.00 0.00 C ATOM 0 H ALA A 100 -1.459 -19.252 0.638 1.00 0.00 H new ATOM 0 HA ALA A 100 1.114 -18.960 -0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.342 -21.343 -0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.827 -20.346 1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.358 -21.361 0.499 1.00 0.00 H new ATOM 1398 N PRO A 101 0.642 -19.664 -2.961 1.00 0.00 N ATOM 1399 CA PRO A 101 0.437 -20.078 -4.352 1.00 0.00 C ATOM 1400 C PRO A 101 0.823 -21.535 -4.586 1.00 0.00 C ATOM 1401 O PRO A 101 1.971 -21.924 -4.374 1.00 0.00 O ATOM 1402 CB PRO A 101 1.362 -19.147 -5.139 1.00 0.00 C ATOM 1403 CG PRO A 101 2.425 -18.759 -4.169 1.00 0.00 C ATOM 1404 CD PRO A 101 1.757 -18.713 -2.823 1.00 0.00 C ATOM 0 HA PRO A 101 -0.610 -20.010 -4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.784 -19.651 -6.008 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.824 -18.273 -5.507 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.242 -19.481 -4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.854 -17.790 -4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.440 -19.007 -2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.402 -17.710 -2.585 1.00 0.00 H new