USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 683 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 28 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.61) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.378 K(o=-0.38,f=0.3) USER MOD Single : A 51 CYS SG : rot -155:sc= -0.285 USER MOD Single : A 55 HIS : no HD1:sc= -3.74 X(o=-3.7,f=-3.5) USER MOD Single : A 64 ASN : amide:sc= -0.789 K(o=-0.79,f=0.81) USER MOD Single : A 67 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.25) USER MOD Single : A 71 THR OG1 : rot -170:sc= -0.335 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.014) USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00602) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.5!) USER MOD Single : A 83 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.1!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -17.030 -1.057 2.720 1.00 0.00 N ATOM 2 CA PRO A 9 -16.880 -0.590 1.313 1.00 0.00 C ATOM 3 C PRO A 9 -15.446 -0.759 0.804 1.00 0.00 C ATOM 4 O PRO A 9 -14.638 0.170 0.870 1.00 0.00 O ATOM 5 CB PRO A 9 -17.296 0.879 1.269 1.00 0.00 C ATOM 6 CG PRO A 9 -17.500 1.248 2.700 1.00 0.00 C ATOM 7 CD PRO A 9 -17.818 -0.035 3.430 1.00 0.00 C ATOM 0 HA PRO A 9 -17.511 -1.193 0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.527 1.496 0.805 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.208 1.017 0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.606 1.718 3.111 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.314 1.966 2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.538 0.025 4.482 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -18.884 -0.259 3.396 1.00 0.00 H new ATOM 17 N ILE A 10 -15.137 -1.954 0.300 1.00 0.00 N ATOM 18 CA ILE A 10 -13.801 -2.246 -0.216 1.00 0.00 C ATOM 19 C ILE A 10 -13.606 -1.667 -1.620 1.00 0.00 C ATOM 20 O ILE A 10 -14.460 -1.826 -2.494 1.00 0.00 O ATOM 21 CB ILE A 10 -13.518 -3.768 -0.236 1.00 0.00 C ATOM 22 CG1 ILE A 10 -12.069 -4.038 -0.654 1.00 0.00 C ATOM 23 CG2 ILE A 10 -14.489 -4.493 -1.161 1.00 0.00 C ATOM 24 CD1 ILE A 10 -11.427 -5.182 0.100 1.00 0.00 C ATOM 0 H ILE A 10 -15.792 -2.733 0.238 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.092 -1.770 0.461 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.665 -4.154 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.042 -4.256 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.480 -3.134 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.268 -5.560 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.510 -4.332 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -14.384 -4.105 -2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.403 -5.317 -0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -11.422 -4.958 1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.993 -6.097 -0.076 1.00 0.00 H new ATOM 36 N ARG A 11 -12.474 -0.991 -1.823 1.00 0.00 N ATOM 37 CA ARG A 11 -12.159 -0.386 -3.115 1.00 0.00 C ATOM 38 C ARG A 11 -10.818 -0.892 -3.646 1.00 0.00 C ATOM 39 O ARG A 11 -9.833 -0.966 -2.908 1.00 0.00 O ATOM 40 CB ARG A 11 -12.132 1.142 -2.996 1.00 0.00 C ATOM 41 CG ARG A 11 -13.053 1.845 -3.981 1.00 0.00 C ATOM 42 CD ARG A 11 -13.169 3.330 -3.677 1.00 0.00 C ATOM 43 NE ARG A 11 -13.879 4.049 -4.734 1.00 0.00 N ATOM 44 CZ ARG A 11 -14.394 5.273 -4.593 1.00 0.00 C ATOM 45 NH1 ARG A 11 -14.275 5.930 -3.442 1.00 0.00 N ATOM 46 NH2 ARG A 11 -15.027 5.843 -5.611 1.00 0.00 N ATOM 0 H ARG A 11 -11.761 -0.850 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.938 -0.675 -3.820 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.415 1.424 -1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.112 1.492 -3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.675 1.709 -4.994 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.042 1.387 -3.946 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.692 3.467 -2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.173 3.755 -3.555 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.988 3.586 -5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.787 5.499 -2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.672 6.865 -3.345 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.119 5.346 -6.497 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.422 6.778 -5.507 1.00 0.00 H new ATOM 60 N LYS A 12 -10.790 -1.233 -4.934 1.00 0.00 N ATOM 61 CA LYS A 12 -9.574 -1.728 -5.577 1.00 0.00 C ATOM 62 C LYS A 12 -8.918 -0.625 -6.407 1.00 0.00 C ATOM 63 O LYS A 12 -9.566 -0.009 -7.255 1.00 0.00 O ATOM 64 CB LYS A 12 -9.895 -2.933 -6.469 1.00 0.00 C ATOM 65 CG LYS A 12 -9.892 -4.263 -5.729 1.00 0.00 C ATOM 66 CD LYS A 12 -11.135 -4.431 -4.866 1.00 0.00 C ATOM 67 CE LYS A 12 -12.142 -5.373 -5.510 1.00 0.00 C ATOM 68 NZ LYS A 12 -13.493 -4.754 -5.625 1.00 0.00 N ATOM 0 H LYS A 12 -11.598 -1.175 -5.554 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.878 -2.040 -4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.873 -2.784 -6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.168 -2.977 -7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.836 -5.080 -6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.003 -4.329 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.850 -4.817 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.599 -3.458 -4.702 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.789 -5.659 -6.501 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.211 -6.287 -4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.148 -5.429 -6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.842 -4.505 -4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.433 -3.896 -6.209 1.00 0.00 H new ATOM 82 N VAL A 13 -7.632 -0.379 -6.154 1.00 0.00 N ATOM 83 CA VAL A 13 -6.888 0.656 -6.875 1.00 0.00 C ATOM 84 C VAL A 13 -5.582 0.111 -7.452 1.00 0.00 C ATOM 85 O VAL A 13 -4.915 -0.712 -6.826 1.00 0.00 O ATOM 86 CB VAL A 13 -6.560 1.858 -5.963 1.00 0.00 C ATOM 87 CG1 VAL A 13 -7.811 2.679 -5.683 1.00 0.00 C ATOM 88 CG2 VAL A 13 -5.916 1.394 -4.662 1.00 0.00 C ATOM 0 H VAL A 13 -7.084 -0.882 -5.456 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.533 0.985 -7.689 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.845 2.493 -6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.557 3.521 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.220 3.051 -6.622 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.553 2.054 -5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.694 2.259 -4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.600 0.730 -4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.992 0.860 -4.884 1.00 0.00 H new ATOM 98 N LEU A 14 -5.216 0.583 -8.643 1.00 0.00 N ATOM 99 CA LEU A 14 -3.980 0.146 -9.292 1.00 0.00 C ATOM 100 C LEU A 14 -2.990 1.304 -9.417 1.00 0.00 C ATOM 101 O LEU A 14 -3.351 2.399 -9.851 1.00 0.00 O ATOM 102 CB LEU A 14 -4.269 -0.456 -10.673 1.00 0.00 C ATOM 103 CG LEU A 14 -5.012 0.459 -11.654 1.00 0.00 C ATOM 104 CD1 LEU A 14 -4.033 1.141 -12.601 1.00 0.00 C ATOM 105 CD2 LEU A 14 -6.051 -0.333 -12.437 1.00 0.00 C ATOM 0 H LEU A 14 -5.755 1.265 -9.177 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.532 -0.626 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.322 -0.751 -11.126 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.855 -1.365 -10.538 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.526 1.231 -11.081 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.581 1.785 -13.289 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.328 1.741 -12.025 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.489 0.386 -13.168 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.569 0.331 -13.129 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.557 -1.127 -12.997 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.771 -0.771 -11.746 1.00 0.00 H new ATOM 117 N LEU A 15 -1.739 1.051 -9.031 1.00 0.00 N ATOM 118 CA LEU A 15 -0.688 2.064 -9.095 1.00 0.00 C ATOM 119 C LEU A 15 0.460 1.601 -9.989 1.00 0.00 C ATOM 120 O LEU A 15 0.828 0.425 -9.987 1.00 0.00 O ATOM 121 CB LEU A 15 -0.166 2.380 -7.691 1.00 0.00 C ATOM 122 CG LEU A 15 -0.075 3.870 -7.355 1.00 0.00 C ATOM 123 CD1 LEU A 15 -1.462 4.454 -7.130 1.00 0.00 C ATOM 124 CD2 LEU A 15 0.805 4.088 -6.132 1.00 0.00 C ATOM 0 H LEU A 15 -1.429 0.149 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.116 2.969 -9.525 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.816 1.897 -6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.823 1.937 -7.579 1.00 0.00 H new ATOM 0 HG LEU A 15 0.379 4.386 -8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.376 5.514 -6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.059 4.332 -8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.946 3.935 -6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.859 5.153 -5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.380 3.558 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.807 3.709 -6.332 1.00 0.00 H new ATOM 136 N LEU A 16 1.020 2.535 -10.755 1.00 0.00 N ATOM 137 CA LEU A 16 2.125 2.226 -11.657 1.00 0.00 C ATOM 138 C LEU A 16 3.437 2.810 -11.136 1.00 0.00 C ATOM 139 O LEU A 16 3.572 4.027 -10.993 1.00 0.00 O ATOM 140 CB LEU A 16 1.827 2.764 -13.060 1.00 0.00 C ATOM 141 CG LEU A 16 2.336 1.891 -14.208 1.00 0.00 C ATOM 142 CD1 LEU A 16 1.567 2.186 -15.488 1.00 0.00 C ATOM 143 CD2 LEU A 16 3.829 2.102 -14.418 1.00 0.00 C ATOM 0 H LEU A 16 0.726 3.512 -10.768 1.00 0.00 H new ATOM 0 HA LEU A 16 2.231 1.142 -11.707 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.749 2.884 -13.165 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.269 3.756 -13.154 1.00 0.00 H new ATOM 0 HG LEU A 16 2.171 0.846 -13.944 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.944 1.555 -16.293 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.508 1.981 -15.332 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.697 3.234 -15.758 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.174 1.473 -15.239 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.018 3.148 -14.659 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.366 1.836 -13.507 1.00 0.00 H new ATOM 155 N LYS A 17 4.399 1.932 -10.855 1.00 0.00 N ATOM 156 CA LYS A 17 5.704 2.354 -10.348 1.00 0.00 C ATOM 157 C LYS A 17 6.821 1.967 -11.315 1.00 0.00 C ATOM 158 O LYS A 17 6.736 0.948 -12.003 1.00 0.00 O ATOM 159 CB LYS A 17 5.964 1.729 -8.973 1.00 0.00 C ATOM 160 CG LYS A 17 6.887 2.553 -8.086 1.00 0.00 C ATOM 161 CD LYS A 17 7.711 1.669 -7.158 1.00 0.00 C ATOM 162 CE LYS A 17 6.906 1.229 -5.942 1.00 0.00 C ATOM 163 NZ LYS A 17 7.001 -0.241 -5.702 1.00 0.00 N ATOM 0 H LYS A 17 4.299 0.923 -10.970 1.00 0.00 H new ATOM 0 HA LYS A 17 5.694 3.440 -10.253 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.012 1.592 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.398 0.738 -9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.554 3.149 -8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.295 3.251 -7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.057 0.791 -7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.598 2.211 -6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.262 1.763 -5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.861 1.505 -6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.438 -0.493 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.637 -0.752 -6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.995 -0.503 -5.542 1.00 0.00 H new ATOM 177 N GLU A 18 7.870 2.788 -11.356 1.00 0.00 N ATOM 178 CA GLU A 18 9.013 2.539 -12.231 1.00 0.00 C ATOM 179 C GLU A 18 10.272 2.247 -11.422 1.00 0.00 C ATOM 180 O GLU A 18 10.360 2.601 -10.245 1.00 0.00 O ATOM 181 CB GLU A 18 9.262 3.743 -13.139 1.00 0.00 C ATOM 182 CG GLU A 18 8.487 3.695 -14.447 1.00 0.00 C ATOM 183 CD GLU A 18 7.180 4.465 -14.391 1.00 0.00 C ATOM 184 OE1 GLU A 18 7.156 5.562 -13.791 1.00 0.00 O ATOM 185 OE2 GLU A 18 6.180 3.974 -14.953 1.00 0.00 O ATOM 0 H GLU A 18 7.951 3.634 -10.791 1.00 0.00 H new ATOM 0 HA GLU A 18 8.778 1.666 -12.840 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.994 4.653 -12.602 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.327 3.805 -13.361 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.108 4.101 -15.246 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.279 2.656 -14.702 1.00 0.00 H new ATOM 192 N ASP A 19 11.250 1.608 -12.066 1.00 0.00 N ATOM 193 CA ASP A 19 12.516 1.275 -11.409 1.00 0.00 C ATOM 194 C ASP A 19 13.195 2.531 -10.861 1.00 0.00 C ATOM 195 O ASP A 19 13.785 2.506 -9.781 1.00 0.00 O ATOM 196 CB ASP A 19 13.456 0.558 -12.384 1.00 0.00 C ATOM 197 CG ASP A 19 14.176 -0.614 -11.743 1.00 0.00 C ATOM 198 OD1 ASP A 19 13.520 -1.395 -11.020 1.00 0.00 O ATOM 199 OD2 ASP A 19 15.398 -0.753 -11.965 1.00 0.00 O ATOM 0 H ASP A 19 11.191 1.311 -13.040 1.00 0.00 H new ATOM 0 HA ASP A 19 12.294 0.609 -10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.883 0.203 -13.241 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.191 1.268 -12.763 1.00 0.00 H new ATOM 204 N HIS A 20 13.103 3.627 -11.615 1.00 0.00 N ATOM 205 CA HIS A 20 13.700 4.897 -11.210 1.00 0.00 C ATOM 206 C HIS A 20 12.822 5.628 -10.185 1.00 0.00 C ATOM 207 O HIS A 20 13.327 6.397 -9.366 1.00 0.00 O ATOM 208 CB HIS A 20 13.934 5.788 -12.438 1.00 0.00 C ATOM 209 CG HIS A 20 12.674 6.189 -13.147 1.00 0.00 C ATOM 210 ND1 HIS A 20 12.008 7.367 -12.887 1.00 0.00 N ATOM 211 CD2 HIS A 20 11.957 5.557 -14.106 1.00 0.00 C ATOM 212 CE1 HIS A 20 10.935 7.442 -13.654 1.00 0.00 C ATOM 213 NE2 HIS A 20 10.880 6.356 -14.403 1.00 0.00 N ATOM 0 H HIS A 20 12.619 3.659 -12.512 1.00 0.00 H new ATOM 0 HA HIS A 20 14.658 4.681 -10.737 1.00 0.00 H new ATOM 0 HB2 HIS A 20 14.466 6.687 -12.126 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.582 5.261 -13.139 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.189 4.602 -14.554 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.223 8.254 -13.666 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.156 6.145 -15.090 1.00 0.00 H new ATOM 222 N GLU A 21 11.508 5.387 -10.243 1.00 0.00 N ATOM 223 CA GLU A 21 10.562 6.026 -9.327 1.00 0.00 C ATOM 224 C GLU A 21 10.418 5.236 -8.025 1.00 0.00 C ATOM 225 O GLU A 21 10.809 4.069 -7.945 1.00 0.00 O ATOM 226 CB GLU A 21 9.193 6.161 -9.999 1.00 0.00 C ATOM 227 CG GLU A 21 8.985 7.495 -10.696 1.00 0.00 C ATOM 228 CD GLU A 21 7.849 8.297 -10.092 1.00 0.00 C ATOM 229 OE1 GLU A 21 6.681 7.881 -10.245 1.00 0.00 O ATOM 230 OE2 GLU A 21 8.127 9.340 -9.465 1.00 0.00 O ATOM 0 H GLU A 21 11.077 4.753 -10.916 1.00 0.00 H new ATOM 0 HA GLU A 21 10.953 7.014 -9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.074 5.358 -10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.414 6.028 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.905 8.077 -10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.781 7.321 -11.752 1.00 0.00 H new ATOM 237 N GLY A 22 9.846 5.884 -7.007 1.00 0.00 N ATOM 238 CA GLY A 22 9.648 5.238 -5.718 1.00 0.00 C ATOM 239 C GLY A 22 8.190 4.897 -5.450 1.00 0.00 C ATOM 240 O GLY A 22 7.361 4.938 -6.360 1.00 0.00 O ATOM 0 H GLY A 22 9.516 6.848 -7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.243 4.326 -5.678 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.015 5.893 -4.928 1.00 0.00 H new ATOM 244 N LEU A 23 7.879 4.558 -4.196 1.00 0.00 N ATOM 245 CA LEU A 23 6.511 4.204 -3.807 1.00 0.00 C ATOM 246 C LEU A 23 5.546 5.368 -4.044 1.00 0.00 C ATOM 247 O LEU A 23 4.580 5.237 -4.798 1.00 0.00 O ATOM 248 CB LEU A 23 6.464 3.780 -2.332 1.00 0.00 C ATOM 249 CG LEU A 23 5.680 2.495 -2.044 1.00 0.00 C ATOM 250 CD1 LEU A 23 5.693 2.189 -0.555 1.00 0.00 C ATOM 251 CD2 LEU A 23 4.249 2.610 -2.552 1.00 0.00 C ATOM 0 H LEU A 23 8.555 4.521 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 23 6.197 3.367 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.486 3.650 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.025 4.592 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 23 6.164 1.673 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.132 1.274 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.722 2.060 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.234 3.014 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.711 1.687 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.752 3.443 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.258 2.782 -3.628 1.00 0.00 H new ATOM 263 N GLY A 24 5.811 6.502 -3.392 1.00 0.00 N ATOM 264 CA GLY A 24 4.957 7.672 -3.541 1.00 0.00 C ATOM 265 C GLY A 24 3.977 7.857 -2.387 1.00 0.00 C ATOM 266 O GLY A 24 3.184 8.800 -2.395 1.00 0.00 O ATOM 0 H GLY A 24 6.603 6.630 -2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.582 8.561 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.398 7.588 -4.473 1.00 0.00 H new ATOM 270 N ILE A 25 4.029 6.965 -1.393 1.00 0.00 N ATOM 271 CA ILE A 25 3.140 7.049 -0.233 1.00 0.00 C ATOM 272 C ILE A 25 3.845 6.575 1.037 1.00 0.00 C ATOM 273 O ILE A 25 4.860 5.878 0.972 1.00 0.00 O ATOM 274 CB ILE A 25 1.856 6.210 -0.427 1.00 0.00 C ATOM 275 CG1 ILE A 25 2.205 4.738 -0.663 1.00 0.00 C ATOM 276 CG2 ILE A 25 1.024 6.754 -1.579 1.00 0.00 C ATOM 277 CD1 ILE A 25 1.898 3.848 0.522 1.00 0.00 C ATOM 0 H ILE A 25 4.677 6.178 -1.369 1.00 0.00 H new ATOM 0 HA ILE A 25 2.865 8.099 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 25 1.262 6.281 0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.654 4.377 -1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.265 4.658 -0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.126 6.148 -1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.741 7.785 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.609 6.719 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.170 2.820 0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.469 4.184 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.833 3.898 0.749 1.00 0.00 H new ATOM 289 N SER A 26 3.295 6.954 2.192 1.00 0.00 N ATOM 290 CA SER A 26 3.862 6.566 3.480 1.00 0.00 C ATOM 291 C SER A 26 2.860 5.752 4.295 1.00 0.00 C ATOM 292 O SER A 26 1.675 6.090 4.357 1.00 0.00 O ATOM 293 CB SER A 26 4.293 7.805 4.267 1.00 0.00 C ATOM 294 OG SER A 26 5.306 7.485 5.208 1.00 0.00 O ATOM 0 H SER A 26 2.456 7.530 2.259 1.00 0.00 H new ATOM 0 HA SER A 26 4.737 5.944 3.290 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.659 8.568 3.579 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.432 8.229 4.784 1.00 0.00 H new ATOM 0 HG SER A 26 5.566 8.294 5.697 1.00 0.00 H new ATOM 300 N ILE A 27 3.346 4.682 4.921 1.00 0.00 N ATOM 301 CA ILE A 27 2.499 3.814 5.735 1.00 0.00 C ATOM 302 C ILE A 27 2.982 3.766 7.184 1.00 0.00 C ATOM 303 O ILE A 27 4.163 3.986 7.463 1.00 0.00 O ATOM 304 CB ILE A 27 2.453 2.375 5.174 1.00 0.00 C ATOM 305 CG1 ILE A 27 3.869 1.859 4.891 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.600 2.320 3.913 1.00 0.00 C ATOM 307 CD1 ILE A 27 3.983 0.352 4.929 1.00 0.00 C ATOM 0 H ILE A 27 4.324 4.395 4.880 1.00 0.00 H new ATOM 0 HA ILE A 27 1.496 4.240 5.703 1.00 0.00 H new ATOM 0 HB ILE A 27 1.998 1.729 5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.187 2.214 3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.555 2.285 5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.579 1.299 3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.585 2.641 4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.025 2.981 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.012 0.060 4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.696 -0.010 5.916 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.323 -0.082 4.178 1.00 0.00 H new ATOM 319 N THR A 28 2.061 3.476 8.102 1.00 0.00 N ATOM 320 CA THR A 28 2.388 3.399 9.523 1.00 0.00 C ATOM 321 C THR A 28 1.714 2.191 10.176 1.00 0.00 C ATOM 322 O THR A 28 0.668 1.728 9.715 1.00 0.00 O ATOM 323 CB THR A 28 1.966 4.689 10.240 1.00 0.00 C ATOM 324 OG1 THR A 28 0.555 4.765 10.356 1.00 0.00 O ATOM 325 CG2 THR A 28 2.435 5.948 9.540 1.00 0.00 C ATOM 0 H THR A 28 1.082 3.290 7.886 1.00 0.00 H new ATOM 0 HA THR A 28 3.468 3.280 9.614 1.00 0.00 H new ATOM 0 HB THR A 28 2.441 4.638 11.220 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.309 5.594 10.817 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.102 6.822 10.101 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.523 5.948 9.481 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.017 5.982 8.534 1.00 0.00 H new ATOM 333 N GLY A 29 2.319 1.690 11.256 1.00 0.00 N ATOM 334 CA GLY A 29 1.765 0.545 11.962 1.00 0.00 C ATOM 335 C GLY A 29 2.752 -0.602 12.088 1.00 0.00 C ATOM 336 O GLY A 29 3.928 -0.458 11.747 1.00 0.00 O ATOM 0 H GLY A 29 3.183 2.058 11.653 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.448 0.856 12.957 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.875 0.197 11.438 1.00 0.00 H new ATOM 340 N GLY A 30 2.271 -1.744 12.579 1.00 0.00 N ATOM 341 CA GLY A 30 3.128 -2.905 12.742 1.00 0.00 C ATOM 342 C GLY A 30 2.344 -4.168 13.043 1.00 0.00 C ATOM 343 O GLY A 30 1.724 -4.281 14.103 1.00 0.00 O ATOM 0 H GLY A 30 1.302 -1.884 12.866 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.712 -3.052 11.834 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.836 -2.719 13.550 1.00 0.00 H new ATOM 347 N LYS A 31 2.375 -5.121 12.110 1.00 0.00 N ATOM 348 CA LYS A 31 1.664 -6.390 12.278 1.00 0.00 C ATOM 349 C LYS A 31 2.155 -7.145 13.514 1.00 0.00 C ATOM 350 O LYS A 31 1.380 -7.846 14.167 1.00 0.00 O ATOM 351 CB LYS A 31 1.827 -7.268 11.035 1.00 0.00 C ATOM 352 CG LYS A 31 0.524 -7.885 10.549 1.00 0.00 C ATOM 353 CD LYS A 31 -0.006 -8.925 11.529 1.00 0.00 C ATOM 354 CE LYS A 31 0.826 -10.200 11.503 1.00 0.00 C ATOM 355 NZ LYS A 31 0.665 -11.003 12.750 1.00 0.00 N ATOM 0 H LYS A 31 2.885 -5.038 11.230 1.00 0.00 H new ATOM 0 HA LYS A 31 0.608 -6.158 12.415 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.258 -6.670 10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.537 -8.065 11.254 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.221 -7.101 10.412 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.682 -8.349 9.575 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.004 -8.510 12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.041 -9.161 11.284 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.535 -10.804 10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.877 -9.943 11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.249 -11.861 12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.967 -10.437 13.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.333 -11.271 12.864 1.00 0.00 H new ATOM 369 N GLU A 32 3.442 -6.994 13.838 1.00 0.00 N ATOM 370 CA GLU A 32 4.021 -7.658 15.005 1.00 0.00 C ATOM 371 C GLU A 32 3.314 -7.221 16.290 1.00 0.00 C ATOM 372 O GLU A 32 3.209 -7.994 17.241 1.00 0.00 O ATOM 373 CB GLU A 32 5.519 -7.356 15.104 1.00 0.00 C ATOM 374 CG GLU A 32 6.333 -7.934 13.957 1.00 0.00 C ATOM 375 CD GLU A 32 7.791 -8.139 14.320 1.00 0.00 C ATOM 376 OE1 GLU A 32 8.096 -9.138 15.004 1.00 0.00 O ATOM 377 OE2 GLU A 32 8.627 -7.304 13.915 1.00 0.00 O ATOM 0 H GLU A 32 4.099 -6.420 13.310 1.00 0.00 H new ATOM 0 HA GLU A 32 3.883 -8.732 14.883 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.662 -6.276 15.132 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.900 -7.753 16.045 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.901 -8.888 13.654 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.267 -7.267 13.098 1.00 0.00 H new ATOM 384 N HIS A 33 2.820 -5.982 16.305 1.00 0.00 N ATOM 385 CA HIS A 33 2.113 -5.451 17.469 1.00 0.00 C ATOM 386 C HIS A 33 0.691 -6.011 17.552 1.00 0.00 C ATOM 387 O HIS A 33 0.125 -6.122 18.640 1.00 0.00 O ATOM 388 CB HIS A 33 2.056 -3.922 17.410 1.00 0.00 C ATOM 389 CG HIS A 33 3.402 -3.264 17.357 1.00 0.00 C ATOM 390 ND1 HIS A 33 3.955 -2.596 18.430 1.00 0.00 N ATOM 391 CD2 HIS A 33 4.303 -3.168 16.351 1.00 0.00 C ATOM 392 CE1 HIS A 33 5.136 -2.117 18.085 1.00 0.00 C ATOM 393 NE2 HIS A 33 5.372 -2.451 16.829 1.00 0.00 N ATOM 0 H HIS A 33 2.897 -5.329 15.525 1.00 0.00 H new ATOM 0 HA HIS A 33 2.663 -5.758 18.359 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.482 -3.623 16.533 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.517 -3.555 18.283 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.200 -3.579 15.358 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.797 -1.548 18.722 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.212 -2.215 16.300 1.00 0.00 H new ATOM 402 N GLY A 34 0.120 -6.356 16.397 1.00 0.00 N ATOM 403 CA GLY A 34 -1.230 -6.895 16.361 1.00 0.00 C ATOM 404 C GLY A 34 -2.222 -5.961 15.686 1.00 0.00 C ATOM 405 O GLY A 34 -3.402 -5.943 16.040 1.00 0.00 O ATOM 0 H GLY A 34 0.570 -6.271 15.486 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.221 -7.849 15.834 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.563 -7.096 17.379 1.00 0.00 H new ATOM 409 N VAL A 35 -1.746 -5.189 14.707 1.00 0.00 N ATOM 410 CA VAL A 35 -2.598 -4.253 13.975 1.00 0.00 C ATOM 411 C VAL A 35 -2.152 -4.131 12.517 1.00 0.00 C ATOM 412 O VAL A 35 -0.956 -4.173 12.223 1.00 0.00 O ATOM 413 CB VAL A 35 -2.592 -2.846 14.612 1.00 0.00 C ATOM 414 CG1 VAL A 35 -3.398 -2.830 15.901 1.00 0.00 C ATOM 415 CG2 VAL A 35 -1.167 -2.371 14.859 1.00 0.00 C ATOM 0 H VAL A 35 -0.772 -5.195 14.403 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.609 -4.657 14.021 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.063 -2.156 13.912 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.378 -1.828 16.330 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.429 -3.114 15.689 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.966 -3.537 16.609 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.187 -1.378 15.308 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.664 -3.064 15.533 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.628 -2.330 13.913 1.00 0.00 H new ATOM 425 N PRO A 36 -3.112 -3.972 11.583 1.00 0.00 N ATOM 426 CA PRO A 36 -2.810 -3.838 10.152 1.00 0.00 C ATOM 427 C PRO A 36 -2.130 -2.508 9.826 1.00 0.00 C ATOM 428 O PRO A 36 -2.263 -1.536 10.571 1.00 0.00 O ATOM 429 CB PRO A 36 -4.189 -3.916 9.488 1.00 0.00 C ATOM 430 CG PRO A 36 -5.145 -3.463 10.537 1.00 0.00 C ATOM 431 CD PRO A 36 -4.563 -3.906 11.851 1.00 0.00 C ATOM 0 HA PRO A 36 -2.115 -4.604 9.807 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.239 -3.278 8.605 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.413 -4.931 9.161 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.268 -2.380 10.511 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -6.131 -3.900 10.380 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.792 -3.200 12.649 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.958 -4.874 12.159 1.00 0.00 H new ATOM 439 N ILE A 37 -1.405 -2.473 8.709 1.00 0.00 N ATOM 440 CA ILE A 37 -0.707 -1.260 8.287 1.00 0.00 C ATOM 441 C ILE A 37 -1.650 -0.337 7.514 1.00 0.00 C ATOM 442 O ILE A 37 -2.456 -0.799 6.703 1.00 0.00 O ATOM 443 CB ILE A 37 0.521 -1.585 7.404 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.393 -2.665 8.056 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.341 -0.328 7.142 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.964 -2.266 9.402 1.00 0.00 C ATOM 0 H ILE A 37 -1.286 -3.268 8.082 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.362 -0.759 9.191 1.00 0.00 H new ATOM 0 HB ILE A 37 0.159 -1.968 6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.800 -3.571 8.179 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.214 -2.910 7.383 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.200 -0.577 6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.723 0.409 6.629 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.687 0.085 8.090 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.568 -3.082 9.797 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.586 -1.378 9.285 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.149 -2.050 10.093 1.00 0.00 H new ATOM 458 N LEU A 38 -1.549 0.968 7.772 1.00 0.00 N ATOM 459 CA LEU A 38 -2.399 1.951 7.099 1.00 0.00 C ATOM 460 C LEU A 38 -1.572 3.116 6.547 1.00 0.00 C ATOM 461 O LEU A 38 -0.442 3.348 6.978 1.00 0.00 O ATOM 462 CB LEU A 38 -3.470 2.481 8.060 1.00 0.00 C ATOM 463 CG LEU A 38 -4.249 1.408 8.828 1.00 0.00 C ATOM 464 CD1 LEU A 38 -3.603 1.147 10.180 1.00 0.00 C ATOM 465 CD2 LEU A 38 -5.704 1.823 9.002 1.00 0.00 C ATOM 0 H LEU A 38 -0.889 1.368 8.440 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.886 1.450 6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.992 3.145 8.780 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.178 3.084 7.492 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.223 0.485 8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.169 0.382 10.712 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.579 0.804 10.034 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.598 2.067 10.764 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.240 1.048 9.550 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.751 2.759 9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.163 1.959 8.023 1.00 0.00 H new ATOM 477 N ILE A 39 -2.150 3.847 5.590 1.00 0.00 N ATOM 478 CA ILE A 39 -1.477 4.991 4.973 1.00 0.00 C ATOM 479 C ILE A 39 -1.774 6.278 5.740 1.00 0.00 C ATOM 480 O ILE A 39 -2.937 6.655 5.905 1.00 0.00 O ATOM 481 CB ILE A 39 -1.909 5.179 3.499 1.00 0.00 C ATOM 482 CG1 ILE A 39 -1.809 3.854 2.735 1.00 0.00 C ATOM 483 CG2 ILE A 39 -1.060 6.249 2.822 1.00 0.00 C ATOM 484 CD1 ILE A 39 -2.581 3.843 1.434 1.00 0.00 C ATOM 0 H ILE A 39 -3.085 3.665 5.226 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.408 4.782 5.006 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.949 5.507 3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.760 3.643 2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.176 3.049 3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.380 6.366 1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.181 7.196 3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.012 5.951 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.463 2.874 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.637 4.022 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.199 4.625 0.778 1.00 0.00 H new ATOM 496 N SER A 40 -0.716 6.946 6.205 1.00 0.00 N ATOM 497 CA SER A 40 -0.858 8.193 6.955 1.00 0.00 C ATOM 498 C SER A 40 -0.375 9.400 6.142 1.00 0.00 C ATOM 499 O SER A 40 -0.899 10.504 6.297 1.00 0.00 O ATOM 500 CB SER A 40 -0.088 8.107 8.272 1.00 0.00 C ATOM 501 OG SER A 40 -0.943 7.736 9.339 1.00 0.00 O ATOM 0 H SER A 40 0.249 6.643 6.074 1.00 0.00 H new ATOM 0 HA SER A 40 -1.918 8.334 7.165 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.719 7.380 8.178 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.374 9.070 8.490 1.00 0.00 H new ATOM 0 HG SER A 40 -0.426 7.686 10.170 1.00 0.00 H new ATOM 507 N GLU A 41 0.624 9.191 5.278 1.00 0.00 N ATOM 508 CA GLU A 41 1.161 10.271 4.450 1.00 0.00 C ATOM 509 C GLU A 41 1.180 9.868 2.978 1.00 0.00 C ATOM 510 O GLU A 41 1.326 8.689 2.651 1.00 0.00 O ATOM 511 CB GLU A 41 2.575 10.644 4.908 1.00 0.00 C ATOM 512 CG GLU A 41 2.836 12.144 4.943 1.00 0.00 C ATOM 513 CD GLU A 41 3.813 12.546 6.034 1.00 0.00 C ATOM 514 OE1 GLU A 41 4.892 11.921 6.127 1.00 0.00 O ATOM 515 OE2 GLU A 41 3.500 13.486 6.795 1.00 0.00 O ATOM 0 H GLU A 41 1.074 8.287 5.136 1.00 0.00 H new ATOM 0 HA GLU A 41 0.511 11.139 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.745 10.232 5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.298 10.175 4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.226 12.463 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.893 12.669 5.095 1.00 0.00 H new ATOM 522 N ILE A 42 1.026 10.853 2.094 1.00 0.00 N ATOM 523 CA ILE A 42 1.021 10.600 0.655 1.00 0.00 C ATOM 524 C ILE A 42 1.885 11.626 -0.078 1.00 0.00 C ATOM 525 O ILE A 42 1.570 12.817 -0.089 1.00 0.00 O ATOM 526 CB ILE A 42 -0.414 10.631 0.080 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.349 9.756 0.923 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.423 10.173 -1.373 1.00 0.00 C ATOM 529 CD1 ILE A 42 -2.812 10.097 0.755 1.00 0.00 C ATOM 0 H ILE A 42 0.903 11.833 2.350 1.00 0.00 H new ATOM 0 HA ILE A 42 1.435 9.604 0.501 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.774 11.659 0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.195 8.711 0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.079 9.858 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.442 10.203 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.208 10.834 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.041 9.154 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.413 9.438 1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.981 11.132 1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.098 9.967 -0.289 1.00 0.00 H new ATOM 541 N HIS A 43 2.977 11.157 -0.684 1.00 0.00 N ATOM 542 CA HIS A 43 3.888 12.037 -1.413 1.00 0.00 C ATOM 543 C HIS A 43 3.214 12.619 -2.656 1.00 0.00 C ATOM 544 O HIS A 43 2.771 11.879 -3.536 1.00 0.00 O ATOM 545 CB HIS A 43 5.160 11.283 -1.811 1.00 0.00 C ATOM 546 CG HIS A 43 6.168 11.187 -0.707 1.00 0.00 C ATOM 547 ND1 HIS A 43 6.919 12.261 -0.279 1.00 0.00 N ATOM 548 CD2 HIS A 43 6.547 10.136 0.061 1.00 0.00 C ATOM 549 CE1 HIS A 43 7.716 11.877 0.702 1.00 0.00 C ATOM 550 NE2 HIS A 43 7.509 10.593 0.928 1.00 0.00 N ATOM 0 H HIS A 43 3.251 10.174 -0.684 1.00 0.00 H new ATOM 0 HA HIS A 43 4.157 12.860 -0.751 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.891 10.278 -2.135 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.616 11.782 -2.666 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.164 9.128 0.002 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.418 12.506 1.229 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.986 10.031 1.633 1.00 0.00 H new ATOM 559 N PRO A 44 3.127 13.963 -2.740 1.00 0.00 N ATOM 560 CA PRO A 44 2.502 14.655 -3.877 1.00 0.00 C ATOM 561 C PRO A 44 3.330 14.551 -5.157 1.00 0.00 C ATOM 562 O PRO A 44 4.543 14.335 -5.107 1.00 0.00 O ATOM 563 CB PRO A 44 2.427 16.110 -3.409 1.00 0.00 C ATOM 564 CG PRO A 44 3.531 16.246 -2.418 1.00 0.00 C ATOM 565 CD PRO A 44 3.629 14.915 -1.727 1.00 0.00 C ATOM 0 HA PRO A 44 1.535 14.221 -4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.555 16.801 -4.242 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.460 16.331 -2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.469 16.500 -2.911 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.320 17.042 -1.704 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.655 14.688 -1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.027 14.889 -0.819 1.00 0.00 H new ATOM 573 N GLY A 45 2.663 14.704 -6.302 1.00 0.00 N ATOM 574 CA GLY A 45 3.346 14.621 -7.585 1.00 0.00 C ATOM 575 C GLY A 45 3.922 13.239 -7.842 1.00 0.00 C ATOM 576 O GLY A 45 5.002 13.104 -8.418 1.00 0.00 O ATOM 0 H GLY A 45 1.661 14.884 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.648 14.876 -8.383 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.148 15.358 -7.616 1.00 0.00 H new ATOM 580 N GLN A 46 3.192 12.213 -7.408 1.00 0.00 N ATOM 581 CA GLN A 46 3.611 10.827 -7.579 1.00 0.00 C ATOM 582 C GLN A 46 2.441 9.981 -8.089 1.00 0.00 C ATOM 583 O GLN A 46 1.330 10.489 -8.239 1.00 0.00 O ATOM 584 CB GLN A 46 4.127 10.277 -6.243 1.00 0.00 C ATOM 585 CG GLN A 46 5.615 9.960 -6.246 1.00 0.00 C ATOM 586 CD GLN A 46 6.484 11.202 -6.342 1.00 0.00 C ATOM 587 OE1 GLN A 46 7.284 11.341 -7.266 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.335 12.112 -5.385 1.00 0.00 N ATOM 0 H GLN A 46 2.297 12.320 -6.930 1.00 0.00 H new ATOM 0 HA GLN A 46 4.414 10.783 -8.315 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.921 11.004 -5.457 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.572 9.372 -5.994 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.867 9.416 -5.336 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.839 9.300 -7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.660 11.958 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.896 12.964 -5.400 1.00 0.00 H new ATOM 597 N PRO A 47 2.669 8.676 -8.362 1.00 0.00 N ATOM 598 CA PRO A 47 1.617 7.770 -8.851 1.00 0.00 C ATOM 599 C PRO A 47 0.342 7.828 -8.008 1.00 0.00 C ATOM 600 O PRO A 47 -0.758 7.632 -8.524 1.00 0.00 O ATOM 601 CB PRO A 47 2.263 6.388 -8.740 1.00 0.00 C ATOM 602 CG PRO A 47 3.720 6.648 -8.873 1.00 0.00 C ATOM 603 CD PRO A 47 3.963 7.978 -8.214 1.00 0.00 C ATOM 0 HA PRO A 47 1.297 8.034 -9.859 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.029 5.916 -7.786 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.906 5.719 -9.523 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.303 5.862 -8.393 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.019 6.671 -9.921 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.239 7.862 -7.166 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.772 8.525 -8.699 1.00 0.00 H new ATOM 611 N ALA A 48 0.499 8.103 -6.710 1.00 0.00 N ATOM 612 CA ALA A 48 -0.639 8.194 -5.799 1.00 0.00 C ATOM 613 C ALA A 48 -1.563 9.347 -6.190 1.00 0.00 C ATOM 614 O ALA A 48 -2.783 9.185 -6.244 1.00 0.00 O ATOM 615 CB ALA A 48 -0.160 8.368 -4.365 1.00 0.00 C ATOM 0 H ALA A 48 1.404 8.266 -6.269 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.203 7.264 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.021 8.434 -3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.454 7.514 -4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.430 9.281 -4.287 1.00 0.00 H new ATOM 621 N ASP A 49 -0.967 10.508 -6.468 1.00 0.00 N ATOM 622 CA ASP A 49 -1.730 11.692 -6.862 1.00 0.00 C ATOM 623 C ASP A 49 -2.327 11.513 -8.256 1.00 0.00 C ATOM 624 O ASP A 49 -3.467 11.901 -8.504 1.00 0.00 O ATOM 625 CB ASP A 49 -0.840 12.941 -6.834 1.00 0.00 C ATOM 626 CG ASP A 49 -1.561 14.163 -6.291 1.00 0.00 C ATOM 627 OD1 ASP A 49 -2.758 14.340 -6.605 1.00 0.00 O ATOM 628 OD2 ASP A 49 -0.926 14.944 -5.552 1.00 0.00 O ATOM 0 H ASP A 49 0.042 10.653 -6.427 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.543 11.821 -6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.040 12.742 -6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.485 13.152 -7.843 1.00 0.00 H new ATOM 633 N ARG A 50 -1.545 10.922 -9.161 1.00 0.00 N ATOM 634 CA ARG A 50 -1.992 10.686 -10.536 1.00 0.00 C ATOM 635 C ARG A 50 -3.289 9.876 -10.574 1.00 0.00 C ATOM 636 O ARG A 50 -4.149 10.114 -11.422 1.00 0.00 O ATOM 637 CB ARG A 50 -0.906 9.957 -11.328 1.00 0.00 C ATOM 638 CG ARG A 50 0.267 10.845 -11.714 1.00 0.00 C ATOM 639 CD ARG A 50 1.594 10.112 -11.582 1.00 0.00 C ATOM 640 NE ARG A 50 1.626 8.878 -12.370 1.00 0.00 N ATOM 641 CZ ARG A 50 1.847 8.834 -13.687 1.00 0.00 C ATOM 642 NH1 ARG A 50 2.044 9.955 -14.378 1.00 0.00 N ATOM 643 NH2 ARG A 50 1.870 7.664 -14.317 1.00 0.00 N ATOM 0 H ARG A 50 -0.598 10.597 -8.967 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.184 11.658 -10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.537 9.119 -10.736 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.347 9.539 -12.233 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.141 11.188 -12.741 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.276 11.732 -11.080 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.403 10.768 -11.904 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.774 9.876 -10.533 1.00 0.00 H new ATOM 0 HE ARG A 50 1.470 7.996 -11.882 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.027 10.857 -13.902 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.212 9.912 -15.383 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.719 6.801 -13.795 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.039 7.629 -15.322 1.00 0.00 H new ATOM 657 N CYS A 51 -3.425 8.920 -9.655 1.00 0.00 N ATOM 658 CA CYS A 51 -4.620 8.083 -9.594 1.00 0.00 C ATOM 659 C CYS A 51 -5.764 8.793 -8.868 1.00 0.00 C ATOM 660 O CYS A 51 -6.936 8.516 -9.129 1.00 0.00 O ATOM 661 CB CYS A 51 -4.302 6.763 -8.890 1.00 0.00 C ATOM 662 SG CYS A 51 -3.516 5.529 -9.952 1.00 0.00 S ATOM 0 H CYS A 51 -2.724 8.707 -8.945 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.939 7.883 -10.617 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.649 6.965 -8.041 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.226 6.346 -8.489 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.756 4.339 -9.486 1.00 0.00 H new ATOM 668 N GLY A 52 -5.423 9.699 -7.949 1.00 0.00 N ATOM 669 CA GLY A 52 -6.441 10.419 -7.200 1.00 0.00 C ATOM 670 C GLY A 52 -7.208 9.528 -6.229 1.00 0.00 C ATOM 671 O GLY A 52 -8.263 9.920 -5.727 1.00 0.00 O ATOM 0 H GLY A 52 -4.462 9.945 -7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.970 11.231 -6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.143 10.875 -7.898 1.00 0.00 H new ATOM 675 N GLY A 53 -6.678 8.328 -5.964 1.00 0.00 N ATOM 676 CA GLY A 53 -7.329 7.399 -5.051 1.00 0.00 C ATOM 677 C GLY A 53 -6.603 7.274 -3.721 1.00 0.00 C ATOM 678 O GLY A 53 -7.231 7.031 -2.689 1.00 0.00 O ATOM 0 H GLY A 53 -5.807 7.985 -6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.352 7.730 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.389 6.417 -5.521 1.00 0.00 H new ATOM 682 N LEU A 54 -5.277 7.438 -3.743 1.00 0.00 N ATOM 683 CA LEU A 54 -4.471 7.342 -2.528 1.00 0.00 C ATOM 684 C LEU A 54 -4.815 8.476 -1.565 1.00 0.00 C ATOM 685 O LEU A 54 -4.372 9.612 -1.745 1.00 0.00 O ATOM 686 CB LEU A 54 -2.977 7.375 -2.868 1.00 0.00 C ATOM 687 CG LEU A 54 -2.261 6.021 -2.827 1.00 0.00 C ATOM 688 CD1 LEU A 54 -2.231 5.473 -1.408 1.00 0.00 C ATOM 689 CD2 LEU A 54 -2.925 5.030 -3.774 1.00 0.00 C ATOM 0 H LEU A 54 -4.742 7.637 -4.588 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.698 6.392 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.858 7.799 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.479 8.051 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.233 6.169 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.718 4.511 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.702 6.171 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.251 5.343 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.400 4.076 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.965 4.887 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.886 5.417 -4.792 1.00 0.00 H new ATOM 701 N HIS A 55 -5.614 8.157 -0.549 1.00 0.00 N ATOM 702 CA HIS A 55 -6.032 9.143 0.446 1.00 0.00 C ATOM 703 C HIS A 55 -5.462 8.805 1.822 1.00 0.00 C ATOM 704 O HIS A 55 -5.119 7.653 2.095 1.00 0.00 O ATOM 705 CB HIS A 55 -7.563 9.217 0.516 1.00 0.00 C ATOM 706 CG HIS A 55 -8.225 7.890 0.755 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.107 7.190 1.939 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.011 7.134 -0.049 1.00 0.00 C ATOM 709 CE1 HIS A 55 -8.790 6.063 1.851 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.349 6.005 0.657 1.00 0.00 N ATOM 0 H HIS A 55 -5.986 7.220 -0.393 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.644 10.115 0.141 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.848 9.903 1.313 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.940 9.638 -0.416 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.315 7.374 -1.057 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.876 5.315 2.625 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.937 5.245 0.314 1.00 0.00 H new ATOM 719 N VAL A 56 -5.365 9.814 2.687 1.00 0.00 N ATOM 720 CA VAL A 56 -4.840 9.612 4.034 1.00 0.00 C ATOM 721 C VAL A 56 -5.843 8.837 4.887 1.00 0.00 C ATOM 722 O VAL A 56 -7.045 9.111 4.850 1.00 0.00 O ATOM 723 CB VAL A 56 -4.504 10.949 4.731 1.00 0.00 C ATOM 724 CG1 VAL A 56 -3.851 10.701 6.085 1.00 0.00 C ATOM 725 CG2 VAL A 56 -3.602 11.806 3.854 1.00 0.00 C ATOM 0 H VAL A 56 -5.642 10.774 2.480 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.918 9.039 3.934 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.437 11.489 4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.622 11.656 6.559 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.533 10.135 6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.930 10.135 5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.379 12.742 4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.673 11.271 3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.107 12.019 2.912 1.00 0.00 H new ATOM 735 N GLY A 57 -5.342 7.863 5.643 1.00 0.00 N ATOM 736 CA GLY A 57 -6.202 7.051 6.486 1.00 0.00 C ATOM 737 C GLY A 57 -6.775 5.856 5.743 1.00 0.00 C ATOM 738 O GLY A 57 -7.976 5.587 5.818 1.00 0.00 O ATOM 0 H GLY A 57 -4.352 7.621 5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.636 6.702 7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.018 7.665 6.867 1.00 0.00 H new ATOM 742 N ASP A 58 -5.908 5.138 5.024 1.00 0.00 N ATOM 743 CA ASP A 58 -6.322 3.960 4.262 1.00 0.00 C ATOM 744 C ASP A 58 -5.728 2.692 4.874 1.00 0.00 C ATOM 745 O ASP A 58 -4.535 2.648 5.179 1.00 0.00 O ATOM 746 CB ASP A 58 -5.884 4.088 2.797 1.00 0.00 C ATOM 747 CG ASP A 58 -6.947 3.631 1.810 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.844 2.854 2.207 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.880 4.049 0.635 1.00 0.00 O ATOM 0 H ASP A 58 -4.913 5.354 4.955 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.409 3.893 4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.629 5.127 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.978 3.501 2.643 1.00 0.00 H new ATOM 754 N ALA A 59 -6.559 1.665 5.057 1.00 0.00 N ATOM 755 CA ALA A 59 -6.099 0.405 5.642 1.00 0.00 C ATOM 756 C ALA A 59 -5.649 -0.584 4.567 1.00 0.00 C ATOM 757 O ALA A 59 -6.415 -0.925 3.664 1.00 0.00 O ATOM 758 CB ALA A 59 -7.192 -0.209 6.506 1.00 0.00 C ATOM 0 H ALA A 59 -7.549 1.680 4.810 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.235 0.627 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.834 -1.146 6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.452 0.481 7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.073 -0.403 5.895 1.00 0.00 H new ATOM 764 N ILE A 60 -4.401 -1.047 4.680 1.00 0.00 N ATOM 765 CA ILE A 60 -3.836 -2.004 3.727 1.00 0.00 C ATOM 766 C ILE A 60 -4.394 -3.408 3.958 1.00 0.00 C ATOM 767 O ILE A 60 -4.431 -3.891 5.091 1.00 0.00 O ATOM 768 CB ILE A 60 -2.294 -2.063 3.820 1.00 0.00 C ATOM 769 CG1 ILE A 60 -1.693 -0.655 3.752 1.00 0.00 C ATOM 770 CG2 ILE A 60 -1.725 -2.937 2.709 1.00 0.00 C ATOM 771 CD1 ILE A 60 -0.213 -0.615 4.067 1.00 0.00 C ATOM 0 H ILE A 60 -3.761 -0.773 5.425 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.120 -1.655 2.734 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.027 -2.505 4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.855 -0.247 2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.223 -0.008 4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.638 -2.967 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.124 -3.947 2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.005 -2.523 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.146 0.412 4.000 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.045 -0.993 5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.328 -1.235 3.352 1.00 0.00 H new ATOM 783 N LEU A 61 -4.821 -4.061 2.875 1.00 0.00 N ATOM 784 CA LEU A 61 -5.369 -5.414 2.960 1.00 0.00 C ATOM 785 C LEU A 61 -4.514 -6.404 2.165 1.00 0.00 C ATOM 786 O LEU A 61 -3.870 -7.280 2.745 1.00 0.00 O ATOM 787 CB LEU A 61 -6.816 -5.442 2.452 1.00 0.00 C ATOM 788 CG LEU A 61 -7.824 -4.656 3.296 1.00 0.00 C ATOM 789 CD1 LEU A 61 -9.187 -4.638 2.618 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.932 -5.249 4.693 1.00 0.00 C ATOM 0 H LEU A 61 -4.797 -3.675 1.931 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.357 -5.714 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.834 -5.049 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.144 -6.480 2.398 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.469 -3.629 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.891 -4.075 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.100 -4.166 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.547 -5.660 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.653 -4.676 5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.262 -6.285 4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.958 -5.211 5.181 1.00 0.00 H new ATOM 802 N ALA A 62 -4.515 -6.261 0.836 1.00 0.00 N ATOM 803 CA ALA A 62 -3.740 -7.147 -0.031 1.00 0.00 C ATOM 804 C ALA A 62 -3.003 -6.364 -1.117 1.00 0.00 C ATOM 805 O ALA A 62 -3.503 -5.356 -1.621 1.00 0.00 O ATOM 806 CB ALA A 62 -4.646 -8.199 -0.657 1.00 0.00 C ATOM 0 H ALA A 62 -5.043 -5.542 0.341 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.991 -7.645 0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.056 -8.852 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.114 -8.791 0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.418 -7.708 -1.249 1.00 0.00 H new ATOM 812 N VAL A 63 -1.812 -6.844 -1.475 1.00 0.00 N ATOM 813 CA VAL A 63 -0.997 -6.205 -2.503 1.00 0.00 C ATOM 814 C VAL A 63 -0.807 -7.144 -3.690 1.00 0.00 C ATOM 815 O VAL A 63 -0.197 -8.206 -3.555 1.00 0.00 O ATOM 816 CB VAL A 63 0.387 -5.798 -1.956 1.00 0.00 C ATOM 817 CG1 VAL A 63 1.139 -4.945 -2.968 1.00 0.00 C ATOM 818 CG2 VAL A 63 0.246 -5.067 -0.628 1.00 0.00 C ATOM 0 H VAL A 63 -1.390 -7.677 -1.065 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.524 -5.306 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 63 0.966 -6.705 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.112 -4.670 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.278 -5.511 -3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.566 -4.042 -3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.233 -4.789 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.355 -4.169 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.241 -5.719 0.097 1.00 0.00 H new ATOM 828 N ASN A 64 -1.342 -6.750 -4.847 1.00 0.00 N ATOM 829 CA ASN A 64 -1.249 -7.558 -6.063 1.00 0.00 C ATOM 830 C ASN A 64 -1.782 -8.975 -5.814 1.00 0.00 C ATOM 831 O ASN A 64 -1.237 -9.955 -6.323 1.00 0.00 O ATOM 832 CB ASN A 64 0.202 -7.608 -6.570 1.00 0.00 C ATOM 833 CG ASN A 64 0.289 -7.782 -8.080 1.00 0.00 C ATOM 834 OD1 ASN A 64 -0.164 -8.788 -8.624 1.00 0.00 O ATOM 835 ND2 ASN A 64 0.874 -6.801 -8.767 1.00 0.00 N ATOM 0 H ASN A 64 -1.847 -5.872 -4.967 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.865 -7.091 -6.831 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.715 -6.690 -6.284 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.725 -8.431 -6.082 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.959 -6.869 -9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.237 -5.983 -8.278 1.00 0.00 H new ATOM 842 N GLY A 65 -2.853 -9.072 -5.016 1.00 0.00 N ATOM 843 CA GLY A 65 -3.442 -10.367 -4.705 1.00 0.00 C ATOM 844 C GLY A 65 -2.789 -11.067 -3.516 1.00 0.00 C ATOM 845 O GLY A 65 -3.345 -12.030 -2.983 1.00 0.00 O ATOM 0 H GLY A 65 -3.320 -8.276 -4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.504 -10.233 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.366 -11.011 -5.581 1.00 0.00 H new ATOM 849 N VAL A 66 -1.612 -10.593 -3.099 1.00 0.00 N ATOM 850 CA VAL A 66 -0.895 -11.190 -1.972 1.00 0.00 C ATOM 851 C VAL A 66 -1.381 -10.615 -0.641 1.00 0.00 C ATOM 852 O VAL A 66 -1.555 -9.402 -0.505 1.00 0.00 O ATOM 853 CB VAL A 66 0.629 -10.970 -2.101 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.383 -11.740 -1.025 1.00 0.00 C ATOM 855 CG2 VAL A 66 1.113 -11.372 -3.489 1.00 0.00 C ATOM 0 H VAL A 66 -1.136 -9.798 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.101 -12.260 -1.991 1.00 0.00 H new ATOM 0 HB VAL A 66 0.831 -9.908 -1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.454 -11.569 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.062 -11.398 -0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.174 -12.805 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.189 -11.210 -3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.893 -12.426 -3.660 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.604 -10.768 -4.241 1.00 0.00 H new ATOM 865 N ASN A 67 -1.601 -11.496 0.338 1.00 0.00 N ATOM 866 CA ASN A 67 -2.070 -11.080 1.660 1.00 0.00 C ATOM 867 C ASN A 67 -0.933 -10.482 2.485 1.00 0.00 C ATOM 868 O ASN A 67 0.185 -10.999 2.485 1.00 0.00 O ATOM 869 CB ASN A 67 -2.692 -12.266 2.412 1.00 0.00 C ATOM 870 CG ASN A 67 -3.488 -11.828 3.632 1.00 0.00 C ATOM 871 OD1 ASN A 67 -4.303 -10.908 3.558 1.00 0.00 O ATOM 872 ND2 ASN A 67 -3.255 -12.485 4.765 1.00 0.00 N ATOM 0 H ASN A 67 -1.462 -12.502 0.239 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.831 -10.314 1.514 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.344 -12.819 1.736 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.902 -12.949 2.723 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.760 -12.232 5.614 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.571 -13.242 4.784 1.00 0.00 H new ATOM 879 N LEU A 68 -1.231 -9.391 3.191 1.00 0.00 N ATOM 880 CA LEU A 68 -0.237 -8.719 4.029 1.00 0.00 C ATOM 881 C LEU A 68 -0.619 -8.764 5.515 1.00 0.00 C ATOM 882 O LEU A 68 0.129 -8.272 6.363 1.00 0.00 O ATOM 883 CB LEU A 68 -0.064 -7.264 3.582 1.00 0.00 C ATOM 884 CG LEU A 68 1.349 -6.694 3.752 1.00 0.00 C ATOM 885 CD1 LEU A 68 2.193 -6.965 2.513 1.00 0.00 C ATOM 886 CD2 LEU A 68 1.290 -5.200 4.047 1.00 0.00 C ATOM 0 H LEU A 68 -2.152 -8.954 3.199 1.00 0.00 H new ATOM 0 HA LEU A 68 0.706 -9.253 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.346 -7.187 2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.760 -6.642 4.145 1.00 0.00 H new ATOM 0 HG LEU A 68 1.820 -7.193 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.192 -6.552 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.265 -8.040 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.727 -6.497 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.302 -4.812 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.798 -4.685 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.728 -5.032 4.966 1.00 0.00 H new ATOM 898 N ARG A 69 -1.780 -9.350 5.830 1.00 0.00 N ATOM 899 CA ARG A 69 -2.240 -9.445 7.217 1.00 0.00 C ATOM 900 C ARG A 69 -1.377 -10.414 8.029 1.00 0.00 C ATOM 901 O ARG A 69 -1.214 -10.239 9.236 1.00 0.00 O ATOM 902 CB ARG A 69 -3.708 -9.880 7.268 1.00 0.00 C ATOM 903 CG ARG A 69 -4.381 -9.610 8.609 1.00 0.00 C ATOM 904 CD ARG A 69 -5.701 -8.867 8.440 1.00 0.00 C ATOM 905 NE ARG A 69 -6.855 -9.721 8.722 1.00 0.00 N ATOM 906 CZ ARG A 69 -7.398 -10.564 7.837 1.00 0.00 C ATOM 907 NH1 ARG A 69 -6.897 -10.671 6.608 1.00 0.00 N ATOM 908 NH2 ARG A 69 -8.447 -11.302 8.183 1.00 0.00 N ATOM 0 H ARG A 69 -2.414 -9.763 5.146 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.147 -8.455 7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.259 -9.361 6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.770 -10.946 7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.559 -10.554 9.123 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.712 -9.024 9.240 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.718 -8.004 9.106 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.774 -8.485 7.422 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.271 -9.670 9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.092 -10.107 6.334 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.318 -11.317 5.940 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.837 -11.225 9.122 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.862 -11.945 7.509 1.00 0.00 H new ATOM 922 N ASP A 70 -0.826 -11.433 7.367 1.00 0.00 N ATOM 923 CA ASP A 70 0.021 -12.416 8.044 1.00 0.00 C ATOM 924 C ASP A 70 1.514 -12.113 7.846 1.00 0.00 C ATOM 925 O ASP A 70 2.368 -12.940 8.174 1.00 0.00 O ATOM 926 CB ASP A 70 -0.303 -13.826 7.540 1.00 0.00 C ATOM 927 CG ASP A 70 -1.365 -14.507 8.381 1.00 0.00 C ATOM 928 OD1 ASP A 70 -1.076 -14.835 9.552 1.00 0.00 O ATOM 929 OD2 ASP A 70 -2.487 -14.705 7.871 1.00 0.00 O ATOM 0 H ASP A 70 -0.950 -11.599 6.368 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.190 -12.356 9.112 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.642 -13.771 6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.605 -14.429 7.546 1.00 0.00 H new ATOM 934 N THR A 71 1.827 -10.926 7.318 1.00 0.00 N ATOM 935 CA THR A 71 3.214 -10.527 7.089 1.00 0.00 C ATOM 936 C THR A 71 3.626 -9.416 8.057 1.00 0.00 C ATOM 937 O THR A 71 2.775 -8.716 8.605 1.00 0.00 O ATOM 938 CB THR A 71 3.400 -10.057 5.640 1.00 0.00 C ATOM 939 OG1 THR A 71 2.428 -10.639 4.785 1.00 0.00 O ATOM 940 CG2 THR A 71 4.765 -10.386 5.073 1.00 0.00 C ATOM 0 H THR A 71 1.137 -10.227 7.042 1.00 0.00 H new ATOM 0 HA THR A 71 3.851 -11.393 7.266 1.00 0.00 H new ATOM 0 HB THR A 71 3.289 -8.973 5.678 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.660 -10.453 3.851 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.829 -10.026 4.046 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.535 -9.904 5.675 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.915 -11.466 5.089 1.00 0.00 H new ATOM 948 N LYS A 72 4.938 -9.261 8.258 1.00 0.00 N ATOM 949 CA LYS A 72 5.470 -8.233 9.159 1.00 0.00 C ATOM 950 C LYS A 72 5.637 -6.898 8.432 1.00 0.00 C ATOM 951 O LYS A 72 5.679 -6.855 7.203 1.00 0.00 O ATOM 952 CB LYS A 72 6.816 -8.681 9.739 1.00 0.00 C ATOM 953 CG LYS A 72 6.693 -9.477 11.029 1.00 0.00 C ATOM 954 CD LYS A 72 6.137 -10.870 10.777 1.00 0.00 C ATOM 955 CE LYS A 72 6.031 -11.671 12.068 1.00 0.00 C ATOM 956 NZ LYS A 72 6.746 -12.976 11.980 1.00 0.00 N ATOM 0 H LYS A 72 5.652 -9.834 7.809 1.00 0.00 H new ATOM 0 HA LYS A 72 4.756 -8.096 9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.337 -9.286 8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.433 -7.801 9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.671 -9.555 11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.043 -8.946 11.724 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.153 -10.792 10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.780 -11.397 10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.443 -11.087 12.891 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.981 -11.849 12.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.647 -13.487 12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.336 -13.545 11.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.754 -12.807 11.786 1.00 0.00 H new ATOM 970 N HIS A 73 5.737 -5.809 9.200 1.00 0.00 N ATOM 971 CA HIS A 73 5.904 -4.472 8.624 1.00 0.00 C ATOM 972 C HIS A 73 7.104 -4.429 7.676 1.00 0.00 C ATOM 973 O HIS A 73 6.982 -3.988 6.533 1.00 0.00 O ATOM 974 CB HIS A 73 6.074 -3.426 9.733 1.00 0.00 C ATOM 975 CG HIS A 73 6.189 -2.018 9.228 1.00 0.00 C ATOM 976 ND1 HIS A 73 7.339 -1.267 9.352 1.00 0.00 N ATOM 977 CD2 HIS A 73 5.291 -1.225 8.594 1.00 0.00 C ATOM 978 CE1 HIS A 73 7.143 -0.073 8.822 1.00 0.00 C ATOM 979 NE2 HIS A 73 5.909 -0.023 8.354 1.00 0.00 N ATOM 0 H HIS A 73 5.705 -5.827 10.219 1.00 0.00 H new ATOM 0 HA HIS A 73 5.005 -4.239 8.053 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.224 -3.490 10.412 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.965 -3.667 10.313 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.278 -1.489 8.327 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.868 0.726 8.779 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.484 0.779 7.889 1.00 0.00 H new ATOM 988 N LYS A 74 8.259 -4.897 8.154 1.00 0.00 N ATOM 989 CA LYS A 74 9.475 -4.917 7.343 1.00 0.00 C ATOM 990 C LYS A 74 9.321 -5.871 6.158 1.00 0.00 C ATOM 991 O LYS A 74 9.739 -5.559 5.042 1.00 0.00 O ATOM 992 CB LYS A 74 10.682 -5.325 8.193 1.00 0.00 C ATOM 993 CG LYS A 74 12.020 -5.143 7.490 1.00 0.00 C ATOM 994 CD LYS A 74 13.182 -5.447 8.425 1.00 0.00 C ATOM 995 CE LYS A 74 14.501 -4.904 7.889 1.00 0.00 C ATOM 996 NZ LYS A 74 14.880 -5.521 6.585 1.00 0.00 N ATOM 0 H LYS A 74 8.376 -5.266 9.097 1.00 0.00 H new ATOM 0 HA LYS A 74 9.641 -3.911 6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.682 -4.738 9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.574 -6.370 8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.069 -5.799 6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.104 -4.120 7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.982 -5.013 9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.263 -6.525 8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.424 -3.823 7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.290 -5.088 8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.808 -5.158 6.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.930 -6.554 6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.167 -5.281 5.867 1.00 0.00 H new ATOM 1010 N GLU A 75 8.712 -7.032 6.410 1.00 0.00 N ATOM 1011 CA GLU A 75 8.491 -8.030 5.365 1.00 0.00 C ATOM 1012 C GLU A 75 7.546 -7.492 4.290 1.00 0.00 C ATOM 1013 O GLU A 75 7.722 -7.769 3.104 1.00 0.00 O ATOM 1014 CB GLU A 75 7.912 -9.314 5.962 1.00 0.00 C ATOM 1015 CG GLU A 75 8.875 -10.059 6.876 1.00 0.00 C ATOM 1016 CD GLU A 75 8.363 -11.430 7.283 1.00 0.00 C ATOM 1017 OE1 GLU A 75 7.164 -11.543 7.623 1.00 0.00 O ATOM 1018 OE2 GLU A 75 9.161 -12.390 7.261 1.00 0.00 O ATOM 0 H GLU A 75 8.364 -7.303 7.330 1.00 0.00 H new ATOM 0 HA GLU A 75 9.455 -8.253 4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.011 -9.068 6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.611 -9.977 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.835 -10.170 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.053 -9.463 7.771 1.00 0.00 H new ATOM 1025 N ALA A 76 6.545 -6.721 4.717 1.00 0.00 N ATOM 1026 CA ALA A 76 5.570 -6.143 3.796 1.00 0.00 C ATOM 1027 C ALA A 76 6.232 -5.171 2.822 1.00 0.00 C ATOM 1028 O ALA A 76 5.787 -5.031 1.683 1.00 0.00 O ATOM 1029 CB ALA A 76 4.461 -5.440 4.565 1.00 0.00 C ATOM 0 H ALA A 76 6.389 -6.483 5.697 1.00 0.00 H new ATOM 0 HA ALA A 76 5.138 -6.959 3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.744 -5.015 3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.955 -6.157 5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.889 -4.643 5.173 1.00 0.00 H new ATOM 1035 N VAL A 77 7.302 -4.511 3.269 1.00 0.00 N ATOM 1036 CA VAL A 77 8.025 -3.567 2.421 1.00 0.00 C ATOM 1037 C VAL A 77 8.602 -4.290 1.204 1.00 0.00 C ATOM 1038 O VAL A 77 8.527 -3.792 0.079 1.00 0.00 O ATOM 1039 CB VAL A 77 9.164 -2.860 3.190 1.00 0.00 C ATOM 1040 CG1 VAL A 77 9.816 -1.791 2.324 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.642 -2.256 4.488 1.00 0.00 C ATOM 0 H VAL A 77 7.684 -4.613 4.209 1.00 0.00 H new ATOM 0 HA VAL A 77 7.314 -2.807 2.097 1.00 0.00 H new ATOM 0 HB VAL A 77 9.920 -3.604 3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.615 -1.306 2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.230 -2.252 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.070 -1.049 2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.459 -1.763 5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.863 -1.527 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.229 -3.045 5.116 1.00 0.00 H new ATOM 1051 N THR A 78 9.157 -5.480 1.438 1.00 0.00 N ATOM 1052 CA THR A 78 9.725 -6.288 0.363 1.00 0.00 C ATOM 1053 C THR A 78 8.632 -6.716 -0.619 1.00 0.00 C ATOM 1054 O THR A 78 8.835 -6.695 -1.835 1.00 0.00 O ATOM 1055 CB THR A 78 10.427 -7.523 0.937 1.00 0.00 C ATOM 1056 OG1 THR A 78 11.371 -7.155 1.929 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.155 -8.341 -0.108 1.00 0.00 C ATOM 0 H THR A 78 9.224 -5.904 2.363 1.00 0.00 H new ATOM 0 HA THR A 78 10.458 -5.683 -0.170 1.00 0.00 H new ATOM 0 HB THR A 78 9.629 -8.132 1.361 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.805 -7.960 2.282 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.629 -9.200 0.367 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.445 -8.688 -0.858 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.916 -7.725 -0.587 1.00 0.00 H new ATOM 1065 N ILE A 79 7.470 -7.097 -0.081 1.00 0.00 N ATOM 1066 CA ILE A 79 6.340 -7.522 -0.908 1.00 0.00 C ATOM 1067 C ILE A 79 5.941 -6.420 -1.885 1.00 0.00 C ATOM 1068 O ILE A 79 5.727 -6.679 -3.067 1.00 0.00 O ATOM 1069 CB ILE A 79 5.103 -7.901 -0.059 1.00 0.00 C ATOM 1070 CG1 ILE A 79 5.464 -8.943 1.005 1.00 0.00 C ATOM 1071 CG2 ILE A 79 3.982 -8.416 -0.954 1.00 0.00 C ATOM 1072 CD1 ILE A 79 6.091 -10.206 0.449 1.00 0.00 C ATOM 0 H ILE A 79 7.288 -7.119 0.922 1.00 0.00 H new ATOM 0 HA ILE A 79 6.672 -8.406 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 79 4.755 -7.004 0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.153 -8.493 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.563 -9.210 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.119 -8.678 -0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.700 -7.641 -1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.325 -9.298 -1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.316 -10.891 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.397 -10.683 -0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 79 7.012 -9.954 -0.077 1.00 0.00 H new ATOM 1084 N LEU A 80 5.850 -5.190 -1.379 1.00 0.00 N ATOM 1085 CA LEU A 80 5.483 -4.042 -2.208 1.00 0.00 C ATOM 1086 C LEU A 80 6.475 -3.857 -3.359 1.00 0.00 C ATOM 1087 O LEU A 80 6.082 -3.557 -4.486 1.00 0.00 O ATOM 1088 CB LEU A 80 5.428 -2.769 -1.359 1.00 0.00 C ATOM 1089 CG LEU A 80 4.105 -2.001 -1.424 1.00 0.00 C ATOM 1090 CD1 LEU A 80 3.763 -1.410 -0.064 1.00 0.00 C ATOM 1091 CD2 LEU A 80 4.174 -0.908 -2.484 1.00 0.00 C ATOM 0 H LEU A 80 6.025 -4.963 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 80 4.496 -4.233 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.625 -3.035 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.232 -2.105 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 80 3.315 -2.698 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.820 -0.868 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.670 -2.212 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.554 -0.726 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.225 -0.372 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.976 -0.212 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.371 -1.357 -3.458 1.00 0.00 H new ATOM 1103 N SER A 81 7.763 -4.038 -3.062 1.00 0.00 N ATOM 1104 CA SER A 81 8.816 -3.893 -4.065 1.00 0.00 C ATOM 1105 C SER A 81 8.843 -5.069 -5.052 1.00 0.00 C ATOM 1106 O SER A 81 9.489 -4.984 -6.097 1.00 0.00 O ATOM 1107 CB SER A 81 10.182 -3.753 -3.387 1.00 0.00 C ATOM 1108 OG SER A 81 10.487 -2.391 -3.133 1.00 0.00 O ATOM 0 H SER A 81 8.101 -4.286 -2.132 1.00 0.00 H new ATOM 0 HA SER A 81 8.595 -2.989 -4.633 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.186 -4.311 -2.451 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.953 -4.190 -4.021 1.00 0.00 H new ATOM 0 HG SER A 81 11.363 -2.328 -2.698 1.00 0.00 H new ATOM 1114 N GLN A 82 8.144 -6.164 -4.726 1.00 0.00 N ATOM 1115 CA GLN A 82 8.108 -7.337 -5.603 1.00 0.00 C ATOM 1116 C GLN A 82 7.326 -7.043 -6.885 1.00 0.00 C ATOM 1117 O GLN A 82 7.606 -7.618 -7.938 1.00 0.00 O ATOM 1118 CB GLN A 82 7.491 -8.536 -4.874 1.00 0.00 C ATOM 1119 CG GLN A 82 8.375 -9.091 -3.768 1.00 0.00 C ATOM 1120 CD GLN A 82 9.056 -10.392 -4.153 1.00 0.00 C ATOM 1121 OE1 GLN A 82 9.108 -10.758 -5.328 1.00 0.00 O ATOM 1122 NE2 GLN A 82 9.586 -11.099 -3.162 1.00 0.00 N ATOM 0 H GLN A 82 7.601 -6.260 -3.868 1.00 0.00 H new ATOM 0 HA GLN A 82 9.135 -7.580 -5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.533 -8.239 -4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.287 -9.326 -5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.134 -8.352 -3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.772 -9.253 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.521 -10.760 -2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.058 -11.981 -3.361 1.00 0.00 H new ATOM 1131 N GLN A 83 6.347 -6.144 -6.789 1.00 0.00 N ATOM 1132 CA GLN A 83 5.526 -5.772 -7.937 1.00 0.00 C ATOM 1133 C GLN A 83 6.283 -4.833 -8.877 1.00 0.00 C ATOM 1134 O GLN A 83 6.943 -3.892 -8.431 1.00 0.00 O ATOM 1135 CB GLN A 83 4.236 -5.105 -7.461 1.00 0.00 C ATOM 1136 CG GLN A 83 3.290 -6.045 -6.731 1.00 0.00 C ATOM 1137 CD GLN A 83 3.673 -6.252 -5.280 1.00 0.00 C ATOM 1138 OE1 GLN A 83 3.756 -5.298 -4.509 1.00 0.00 O ATOM 1139 NE2 GLN A 83 3.907 -7.502 -4.899 1.00 0.00 N ATOM 0 H GLN A 83 6.104 -5.660 -5.925 1.00 0.00 H new ATOM 0 HA GLN A 83 5.282 -6.680 -8.489 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.490 -4.276 -6.801 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.719 -4.681 -8.322 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.277 -5.645 -6.781 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.278 -7.009 -7.240 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.827 -8.264 -5.572 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.167 -7.700 -3.933 1.00 0.00 H new ATOM 1148 N ARG A 84 6.180 -5.098 -10.181 1.00 0.00 N ATOM 1149 CA ARG A 84 6.854 -4.284 -11.190 1.00 0.00 C ATOM 1150 C ARG A 84 5.890 -3.874 -12.302 1.00 0.00 C ATOM 1151 O ARG A 84 4.971 -4.621 -12.646 1.00 0.00 O ATOM 1152 CB ARG A 84 8.037 -5.052 -11.780 1.00 0.00 C ATOM 1153 CG ARG A 84 9.380 -4.380 -11.530 1.00 0.00 C ATOM 1154 CD ARG A 84 10.410 -5.362 -10.993 1.00 0.00 C ATOM 1155 NE ARG A 84 10.922 -6.250 -12.037 1.00 0.00 N ATOM 1156 CZ ARG A 84 12.043 -6.967 -11.923 1.00 0.00 C ATOM 1157 NH1 ARG A 84 12.772 -6.913 -10.810 1.00 0.00 N ATOM 1158 NH2 ARG A 84 12.438 -7.743 -12.926 1.00 0.00 N ATOM 0 H ARG A 84 5.635 -5.872 -10.562 1.00 0.00 H new ATOM 0 HA ARG A 84 7.219 -3.378 -10.705 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.057 -6.056 -11.356 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.889 -5.163 -12.854 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.745 -3.941 -12.458 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.251 -3.563 -10.820 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.239 -4.810 -10.549 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.962 -5.958 -10.198 1.00 0.00 H new ATOM 0 HE ARG A 84 10.391 -6.326 -12.904 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.476 -6.320 -10.035 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.627 -7.464 -10.733 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.885 -7.791 -13.782 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.294 -8.291 -12.840 1.00 0.00 H new ATOM 1172 N GLY A 85 6.107 -2.680 -12.857 1.00 0.00 N ATOM 1173 CA GLY A 85 5.250 -2.182 -13.919 1.00 0.00 C ATOM 1174 C GLY A 85 3.843 -1.902 -13.429 1.00 0.00 C ATOM 1175 O GLY A 85 3.552 -0.800 -12.959 1.00 0.00 O ATOM 0 H GLY A 85 6.863 -2.050 -12.588 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.678 -1.269 -14.332 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.214 -2.912 -14.728 1.00 0.00 H new ATOM 1179 N GLU A 86 2.977 -2.910 -13.525 1.00 0.00 N ATOM 1180 CA GLU A 86 1.596 -2.782 -13.075 1.00 0.00 C ATOM 1181 C GLU A 86 1.447 -3.333 -11.659 1.00 0.00 C ATOM 1182 O GLU A 86 1.629 -4.530 -11.426 1.00 0.00 O ATOM 1183 CB GLU A 86 0.653 -3.522 -14.028 1.00 0.00 C ATOM 1184 CG GLU A 86 -0.796 -3.065 -13.927 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.625 -3.454 -15.139 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.142 -3.273 -16.277 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -2.759 -3.940 -14.948 1.00 0.00 O ATOM 0 H GLU A 86 3.210 -3.825 -13.911 1.00 0.00 H new ATOM 0 HA GLU A 86 1.331 -1.725 -13.071 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.000 -3.380 -15.052 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.704 -4.591 -13.819 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.246 -3.495 -13.032 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.822 -1.982 -13.808 1.00 0.00 H new ATOM 1194 N ILE A 87 1.117 -2.452 -10.718 1.00 0.00 N ATOM 1195 CA ILE A 87 0.947 -2.848 -9.323 1.00 0.00 C ATOM 1196 C ILE A 87 -0.501 -2.676 -8.873 1.00 0.00 C ATOM 1197 O ILE A 87 -1.076 -1.594 -9.002 1.00 0.00 O ATOM 1198 CB ILE A 87 1.862 -2.030 -8.384 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.289 -1.963 -8.937 1.00 0.00 C ATOM 1200 CG2 ILE A 87 1.859 -2.632 -6.983 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.237 -1.160 -8.072 1.00 0.00 C ATOM 0 H ILE A 87 0.962 -1.460 -10.896 1.00 0.00 H new ATOM 0 HA ILE A 87 1.224 -3.900 -9.262 1.00 0.00 H new ATOM 0 HB ILE A 87 1.472 -1.014 -8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.677 -2.976 -9.043 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.263 -1.526 -9.935 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.508 -2.045 -6.333 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.844 -2.624 -6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.223 -3.659 -7.027 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.228 -1.156 -8.525 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.873 -0.136 -7.987 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.293 -1.609 -7.080 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.082 -3.747 -8.336 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.461 -3.715 -7.857 1.00 0.00 C ATOM 1215 C GLU A 88 -2.503 -3.543 -6.340 1.00 0.00 C ATOM 1216 O GLU A 88 -1.749 -4.193 -5.614 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.192 -4.997 -8.257 1.00 0.00 C ATOM 1218 CG GLU A 88 -4.606 -4.754 -8.760 1.00 0.00 C ATOM 1219 CD GLU A 88 -5.257 -6.010 -9.307 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -4.913 -6.413 -10.438 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -6.110 -6.590 -8.604 1.00 0.00 O ATOM 0 H GLU A 88 -0.618 -4.648 -8.222 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.961 -2.863 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.620 -5.505 -9.034 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.230 -5.668 -7.399 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.214 -4.360 -7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.584 -3.992 -9.539 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.384 -2.662 -5.868 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.515 -2.403 -4.437 1.00 0.00 C ATOM 1230 C PHE A 89 -4.968 -2.515 -3.979 1.00 0.00 C ATOM 1231 O PHE A 89 -5.879 -2.003 -4.632 1.00 0.00 O ATOM 1232 CB PHE A 89 -2.973 -1.012 -4.104 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.652 -1.040 -3.392 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -0.465 -1.031 -4.106 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -1.599 -1.071 -2.008 1.00 0.00 C ATOM 1236 CE1 PHE A 89 0.751 -1.057 -3.452 1.00 0.00 C ATOM 1237 CE2 PHE A 89 -0.386 -1.098 -1.349 1.00 0.00 C ATOM 1238 CZ PHE A 89 0.790 -1.088 -2.072 1.00 0.00 C ATOM 0 H PHE A 89 -4.016 -2.117 -6.455 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.934 -3.158 -3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.868 -0.441 -5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.700 -0.486 -3.485 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.491 -1.003 -5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.517 -1.074 -1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.670 -1.053 -4.019 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.357 -1.127 -0.270 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.740 -1.104 -1.559 1.00 0.00 H new ATOM 1248 N GLU A 90 -5.176 -3.180 -2.843 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.514 -3.350 -2.288 1.00 0.00 C ATOM 1250 C GLU A 90 -6.574 -2.808 -0.861 1.00 0.00 C ATOM 1251 O GLU A 90 -5.899 -3.319 0.036 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.921 -4.824 -2.314 1.00 0.00 C ATOM 1253 CG GLU A 90 -8.428 -5.034 -2.334 1.00 0.00 C ATOM 1254 CD GLU A 90 -8.820 -6.480 -2.572 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -8.252 -7.109 -3.490 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -9.700 -6.983 -1.843 1.00 0.00 O ATOM 0 H GLU A 90 -4.434 -3.609 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.215 -2.786 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.484 -5.299 -3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.503 -5.324 -1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.849 -4.700 -1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.866 -4.411 -3.114 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.378 -1.762 -0.667 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.526 -1.129 0.643 1.00 0.00 C ATOM 1265 C VAL A 91 -8.959 -0.633 0.864 1.00 0.00 C ATOM 1266 O VAL A 91 -9.783 -0.660 -0.053 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.552 0.060 0.800 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -5.111 -0.424 0.859 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.734 1.054 -0.337 1.00 0.00 C ATOM 0 H VAL A 91 -7.939 -1.334 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.292 -1.888 1.390 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.781 0.563 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.444 0.431 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.987 -1.094 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.868 -0.957 -0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.040 1.884 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.537 0.559 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.756 1.432 -0.330 1.00 0.00 H new ATOM 1279 N VAL A 92 -9.248 -0.178 2.085 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.578 0.327 2.426 1.00 0.00 C ATOM 1281 C VAL A 92 -10.484 1.546 3.348 1.00 0.00 C ATOM 1282 O VAL A 92 -9.686 1.564 4.288 1.00 0.00 O ATOM 1283 CB VAL A 92 -11.444 -0.766 3.097 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -10.802 -1.258 4.387 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -12.856 -0.255 3.359 1.00 0.00 C ATOM 0 H VAL A 92 -8.578 -0.149 2.854 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.056 0.624 1.492 1.00 0.00 H new ATOM 0 HB VAL A 92 -11.508 -1.609 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.432 -2.025 4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.820 -1.677 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.694 -0.424 5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -13.446 -1.041 3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -12.813 0.612 4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.321 0.030 2.415 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.303 2.564 3.068 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.310 3.789 3.869 1.00 0.00 C ATOM 1297 C TYR A 93 -11.797 3.513 5.289 1.00 0.00 C ATOM 1298 O TYR A 93 -12.906 3.013 5.489 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.198 4.858 3.218 1.00 0.00 C ATOM 1300 CG TYR A 93 -11.647 6.266 3.334 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.059 6.715 4.514 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -11.713 7.145 2.261 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -10.552 7.996 4.616 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -11.208 8.428 2.356 1.00 0.00 C ATOM 1305 CZ TYR A 93 -10.630 8.850 3.534 1.00 0.00 C ATOM 1306 OH TYR A 93 -10.123 10.126 3.632 1.00 0.00 O ATOM 0 H TYR A 93 -11.968 2.563 2.294 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.285 4.158 3.916 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.329 4.615 2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.186 4.826 3.678 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.998 6.051 5.363 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.167 6.820 1.336 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.097 8.328 5.538 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.266 9.097 1.510 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.256 10.597 2.783 1.00 0.00 H new ATOM 1316 N VAL A 94 -10.961 3.846 6.270 1.00 0.00 N ATOM 1317 CA VAL A 94 -11.305 3.638 7.672 1.00 0.00 C ATOM 1318 C VAL A 94 -11.590 4.964 8.372 1.00 0.00 C ATOM 1319 O VAL A 94 -10.733 5.848 8.426 1.00 0.00 O ATOM 1320 CB VAL A 94 -10.189 2.883 8.427 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -10.183 1.416 8.026 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -8.825 3.519 8.176 1.00 0.00 C ATOM 0 H VAL A 94 -10.041 4.261 6.119 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.207 3.027 7.688 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.393 2.952 9.495 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.392 0.895 8.565 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.146 0.968 8.272 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.007 1.333 6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.060 2.966 8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.602 3.493 7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.837 4.554 8.519 1.00 0.00 H new ATOM 1332 N ALA A 95 -12.805 5.095 8.902 1.00 0.00 N ATOM 1333 CA ALA A 95 -13.219 6.310 9.597 1.00 0.00 C ATOM 1334 C ALA A 95 -14.296 6.009 10.638 1.00 0.00 C ATOM 1335 O ALA A 95 -14.289 6.664 11.701 1.00 0.00 O ATOM 1336 CB ALA A 95 -13.721 7.342 8.596 1.00 0.00 C ATOM 0 H ALA A 95 -13.522 4.370 8.862 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.352 6.716 10.119 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.027 8.244 9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.923 7.586 7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.572 6.935 8.050 1.00 0.00 H new TER 1342 ALA A 95