USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=12 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 64 ASN : amide:sc= 0.502 K(o=1.5,f=-0.92) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.95 K(o=1.5,f=-2.1) USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0487) USER MOD Single : A 17 LYS NZ :NH3+ -158:sc= 0.599 (180deg=0.383) USER MOD Single : A 20 HIS : no HD1:sc= -2.81 K(o=-2.8,f=-5.1!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.357) USER MOD Single : A 33 HIS : no HD1:sc= -0.235 X(o=-0.23,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.8) USER MOD Single : A 51 CYS SG : rot 94:sc= -0.736 USER MOD Single : A 55 HIS : no HD1:sc= -3.92 K(o=-3.9,f=-5.3!) USER MOD Single : A 67 ASN : amide:sc= 0.267 K(o=0.27,f=-3.5!) USER MOD Single : A 71 THR OG1 : rot -46:sc= -2.02! USER MOD Single : A 72 LYS NZ :NH3+ -142:sc= -0.572 (180deg=-1.11) USER MOD Single : A 73 HIS : no HD1:sc= -0.0926 X(o=-0.093,f=-0.033) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -16.161 -2.634 3.483 1.00 0.00 N ATOM 2 CA PRO A 9 -16.162 -1.929 2.169 1.00 0.00 C ATOM 3 C PRO A 9 -14.751 -1.821 1.582 1.00 0.00 C ATOM 4 O PRO A 9 -14.100 -0.779 1.682 1.00 0.00 O ATOM 5 CB PRO A 9 -16.765 -0.542 2.392 1.00 0.00 C ATOM 6 CG PRO A 9 -16.889 -0.430 3.874 1.00 0.00 C ATOM 7 CD PRO A 9 -16.997 -1.841 4.401 1.00 0.00 C ATOM 0 HA PRO A 9 -16.752 -2.494 1.448 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.124 0.241 1.986 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.734 -0.446 1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.023 0.078 4.299 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.767 0.155 4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.638 -1.911 5.428 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -18.030 -2.189 4.400 1.00 0.00 H new ATOM 17 N ILE A 10 -14.284 -2.913 0.973 1.00 0.00 N ATOM 18 CA ILE A 10 -12.951 -2.947 0.374 1.00 0.00 C ATOM 19 C ILE A 10 -12.938 -2.250 -0.984 1.00 0.00 C ATOM 20 O ILE A 10 -13.903 -2.334 -1.747 1.00 0.00 O ATOM 21 CB ILE A 10 -12.434 -4.395 0.204 1.00 0.00 C ATOM 22 CG1 ILE A 10 -12.442 -5.126 1.548 1.00 0.00 C ATOM 23 CG2 ILE A 10 -11.031 -4.394 -0.389 1.00 0.00 C ATOM 24 CD1 ILE A 10 -13.694 -5.944 1.786 1.00 0.00 C ATOM 0 H ILE A 10 -14.809 -3.783 0.882 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.290 -2.417 1.059 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.099 -4.920 -0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.574 -5.783 1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.338 -4.395 2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.683 -5.421 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.049 -3.908 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.356 -3.853 0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.629 -6.434 2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.565 -5.289 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.790 -6.698 1.005 1.00 0.00 H new ATOM 36 N ARG A 11 -11.837 -1.561 -1.273 1.00 0.00 N ATOM 37 CA ARG A 11 -11.684 -0.840 -2.533 1.00 0.00 C ATOM 38 C ARG A 11 -10.495 -1.371 -3.335 1.00 0.00 C ATOM 39 O ARG A 11 -9.465 -1.741 -2.767 1.00 0.00 O ATOM 40 CB ARG A 11 -11.501 0.653 -2.261 1.00 0.00 C ATOM 41 CG ARG A 11 -12.529 1.534 -2.955 1.00 0.00 C ATOM 42 CD ARG A 11 -11.866 2.641 -3.759 1.00 0.00 C ATOM 43 NE ARG A 11 -10.837 3.343 -2.988 1.00 0.00 N ATOM 44 CZ ARG A 11 -10.103 4.346 -3.467 1.00 0.00 C ATOM 45 NH1 ARG A 11 -10.296 4.791 -4.706 1.00 0.00 N ATOM 46 NH2 ARG A 11 -9.173 4.909 -2.704 1.00 0.00 N ATOM 0 H ARG A 11 -11.034 -1.487 -0.648 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.588 -0.995 -3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.554 0.826 -1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.503 0.952 -2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.146 0.924 -3.615 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.195 1.972 -2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.418 2.217 -4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.623 3.354 -4.086 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.673 3.046 -2.026 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.010 4.364 -5.296 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.730 5.559 -5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.022 4.573 -1.753 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.610 5.677 -3.069 1.00 0.00 H new ATOM 60 N LYS A 12 -10.645 -1.397 -4.661 1.00 0.00 N ATOM 61 CA LYS A 12 -9.587 -1.874 -5.551 1.00 0.00 C ATOM 62 C LYS A 12 -9.023 -0.720 -6.381 1.00 0.00 C ATOM 63 O LYS A 12 -9.733 -0.134 -7.202 1.00 0.00 O ATOM 64 CB LYS A 12 -10.117 -2.973 -6.483 1.00 0.00 C ATOM 65 CG LYS A 12 -10.920 -4.057 -5.776 1.00 0.00 C ATOM 66 CD LYS A 12 -10.019 -5.132 -5.188 1.00 0.00 C ATOM 67 CE LYS A 12 -10.453 -6.529 -5.612 1.00 0.00 C ATOM 68 NZ LYS A 12 -11.831 -6.854 -5.143 1.00 0.00 N ATOM 0 H LYS A 12 -11.491 -1.092 -5.142 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.790 -2.290 -4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.743 -2.514 -7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.274 -3.437 -6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.517 -3.608 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.617 -4.511 -6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.991 -4.959 -5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.032 -5.062 -4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.412 -6.607 -6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.752 -7.263 -5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.017 -7.867 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.916 -6.627 -4.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.522 -6.295 -5.683 1.00 0.00 H new ATOM 82 N VAL A 13 -7.747 -0.395 -6.162 1.00 0.00 N ATOM 83 CA VAL A 13 -7.093 0.692 -6.893 1.00 0.00 C ATOM 84 C VAL A 13 -5.808 0.208 -7.571 1.00 0.00 C ATOM 85 O VAL A 13 -4.961 -0.426 -6.938 1.00 0.00 O ATOM 86 CB VAL A 13 -6.755 1.883 -5.964 1.00 0.00 C ATOM 87 CG1 VAL A 13 -6.214 3.057 -6.769 1.00 0.00 C ATOM 88 CG2 VAL A 13 -7.975 2.307 -5.156 1.00 0.00 C ATOM 0 H VAL A 13 -7.147 -0.868 -5.486 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.800 1.026 -7.653 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.982 1.557 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.983 3.883 -6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.309 2.752 -7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.963 3.377 -7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.711 3.145 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.774 2.608 -5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.314 1.471 -4.544 1.00 0.00 H new ATOM 98 N LEU A 14 -5.670 0.513 -8.864 1.00 0.00 N ATOM 99 CA LEU A 14 -4.490 0.111 -9.630 1.00 0.00 C ATOM 100 C LEU A 14 -3.478 1.254 -9.726 1.00 0.00 C ATOM 101 O LEU A 14 -3.839 2.389 -10.044 1.00 0.00 O ATOM 102 CB LEU A 14 -4.899 -0.344 -11.035 1.00 0.00 C ATOM 103 CG LEU A 14 -5.011 -1.861 -11.219 1.00 0.00 C ATOM 104 CD1 LEU A 14 -6.440 -2.330 -10.972 1.00 0.00 C ATOM 105 CD2 LEU A 14 -4.548 -2.265 -12.613 1.00 0.00 C ATOM 0 H LEU A 14 -6.361 1.037 -9.401 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.018 -0.721 -9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.860 0.108 -11.281 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.172 0.041 -11.751 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.363 -2.343 -10.487 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.497 -3.410 -11.108 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.735 -2.076 -9.954 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.111 -1.840 -11.677 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.634 -3.346 -12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.169 -1.771 -13.360 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.509 -1.968 -12.752 1.00 0.00 H new ATOM 117 N LEU A 15 -2.209 0.941 -9.454 1.00 0.00 N ATOM 118 CA LEU A 15 -1.137 1.935 -9.510 1.00 0.00 C ATOM 119 C LEU A 15 0.037 1.428 -10.350 1.00 0.00 C ATOM 120 O LEU A 15 0.356 0.238 -10.333 1.00 0.00 O ATOM 121 CB LEU A 15 -0.657 2.281 -8.096 1.00 0.00 C ATOM 122 CG LEU A 15 0.313 3.465 -8.008 1.00 0.00 C ATOM 123 CD1 LEU A 15 0.085 4.253 -6.725 1.00 0.00 C ATOM 124 CD2 LEU A 15 1.756 2.983 -8.092 1.00 0.00 C ATOM 0 H LEU A 15 -1.899 0.005 -9.192 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.535 2.834 -9.981 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.527 2.498 -7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.173 1.403 -7.669 1.00 0.00 H new ATOM 0 HG LEU A 15 0.122 4.126 -8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.784 5.089 -6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.937 4.633 -6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.245 3.602 -5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.429 3.838 -8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.959 2.298 -7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.913 2.468 -9.040 1.00 0.00 H new ATOM 136 N LEU A 16 0.681 2.343 -11.077 1.00 0.00 N ATOM 137 CA LEU A 16 1.823 1.994 -11.919 1.00 0.00 C ATOM 138 C LEU A 16 3.124 2.537 -11.328 1.00 0.00 C ATOM 139 O LEU A 16 3.318 3.750 -11.243 1.00 0.00 O ATOM 140 CB LEU A 16 1.625 2.539 -13.338 1.00 0.00 C ATOM 141 CG LEU A 16 2.093 1.611 -14.463 1.00 0.00 C ATOM 142 CD1 LEU A 16 1.477 2.026 -15.791 1.00 0.00 C ATOM 143 CD2 LEU A 16 3.614 1.606 -14.555 1.00 0.00 C ATOM 0 H LEU A 16 0.430 3.331 -11.098 1.00 0.00 H new ATOM 0 HA LEU A 16 1.891 0.907 -11.962 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.566 2.755 -13.483 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.158 3.486 -13.424 1.00 0.00 H new ATOM 0 HG LEU A 16 1.760 0.599 -14.233 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.822 1.355 -16.578 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.391 1.974 -15.720 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.777 3.047 -16.028 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.928 0.941 -15.360 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.969 2.616 -14.759 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.034 1.257 -13.612 1.00 0.00 H new ATOM 155 N LYS A 17 4.013 1.628 -10.925 1.00 0.00 N ATOM 156 CA LYS A 17 5.300 2.008 -10.345 1.00 0.00 C ATOM 157 C LYS A 17 6.389 2.040 -11.417 1.00 0.00 C ATOM 158 O LYS A 17 6.470 1.143 -12.258 1.00 0.00 O ATOM 159 CB LYS A 17 5.685 1.031 -9.228 1.00 0.00 C ATOM 160 CG LYS A 17 6.930 1.435 -8.449 1.00 0.00 C ATOM 161 CD LYS A 17 7.733 0.218 -8.010 1.00 0.00 C ATOM 162 CE LYS A 17 7.433 -0.164 -6.567 1.00 0.00 C ATOM 163 NZ LYS A 17 7.596 -1.628 -6.329 1.00 0.00 N ATOM 0 H LYS A 17 3.864 0.621 -10.990 1.00 0.00 H new ATOM 0 HA LYS A 17 5.205 3.009 -9.923 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.849 0.941 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.846 0.044 -9.663 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.554 2.080 -9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.640 2.016 -7.574 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.505 -0.624 -8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.798 0.426 -8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.097 0.387 -5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.414 0.132 -6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.048 -1.907 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.253 -2.155 -7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.601 -1.845 -6.173 1.00 0.00 H new ATOM 177 N GLU A 18 7.220 3.081 -11.380 1.00 0.00 N ATOM 178 CA GLU A 18 8.304 3.240 -12.349 1.00 0.00 C ATOM 179 C GLU A 18 9.665 3.254 -11.657 1.00 0.00 C ATOM 180 O GLU A 18 9.769 3.610 -10.484 1.00 0.00 O ATOM 181 CB GLU A 18 8.114 4.535 -13.141 1.00 0.00 C ATOM 182 CG GLU A 18 8.054 4.327 -14.646 1.00 0.00 C ATOM 183 CD GLU A 18 6.804 4.920 -15.266 1.00 0.00 C ATOM 184 OE1 GLU A 18 6.821 6.126 -15.595 1.00 0.00 O ATOM 185 OE2 GLU A 18 5.810 4.181 -15.420 1.00 0.00 O ATOM 0 H GLU A 18 7.163 3.828 -10.688 1.00 0.00 H new ATOM 0 HA GLU A 18 8.274 2.389 -13.030 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.194 5.020 -12.813 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.933 5.216 -12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.933 4.778 -15.107 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.092 3.260 -14.864 1.00 0.00 H new ATOM 192 N ASP A 19 10.709 2.872 -12.392 1.00 0.00 N ATOM 193 CA ASP A 19 12.067 2.848 -11.842 1.00 0.00 C ATOM 194 C ASP A 19 12.478 4.227 -11.321 1.00 0.00 C ATOM 195 O ASP A 19 13.156 4.334 -10.298 1.00 0.00 O ATOM 196 CB ASP A 19 13.064 2.371 -12.903 1.00 0.00 C ATOM 197 CG ASP A 19 13.334 0.880 -12.821 1.00 0.00 C ATOM 198 OD1 ASP A 19 12.360 0.096 -12.820 1.00 0.00 O ATOM 199 OD2 ASP A 19 14.521 0.495 -12.759 1.00 0.00 O ATOM 0 H ASP A 19 10.643 2.576 -13.366 1.00 0.00 H new ATOM 0 HA ASP A 19 12.076 2.150 -11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.678 2.613 -13.893 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.002 2.913 -12.785 1.00 0.00 H new ATOM 204 N HIS A 20 12.057 5.277 -12.025 1.00 0.00 N ATOM 205 CA HIS A 20 12.378 6.647 -11.631 1.00 0.00 C ATOM 206 C HIS A 20 11.416 7.162 -10.548 1.00 0.00 C ATOM 207 O HIS A 20 11.782 8.032 -9.757 1.00 0.00 O ATOM 208 CB HIS A 20 12.360 7.577 -12.853 1.00 0.00 C ATOM 209 CG HIS A 20 11.010 7.737 -13.488 1.00 0.00 C ATOM 210 ND1 HIS A 20 10.222 8.852 -13.304 1.00 0.00 N ATOM 211 CD2 HIS A 20 10.312 6.919 -14.313 1.00 0.00 C ATOM 212 CE1 HIS A 20 9.099 8.714 -13.986 1.00 0.00 C ATOM 213 NE2 HIS A 20 9.128 7.549 -14.607 1.00 0.00 N ATOM 0 H HIS A 20 11.493 5.204 -12.871 1.00 0.00 H new ATOM 0 HA HIS A 20 13.383 6.644 -11.208 1.00 0.00 H new ATOM 0 HB2 HIS A 20 12.726 8.559 -12.553 1.00 0.00 H new ATOM 0 HB3 HIS A 20 13.056 7.192 -13.598 1.00 0.00 H new ATOM 0 HD2 HIS A 20 10.628 5.951 -14.673 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.294 9.432 -14.028 1.00 0.00 H new ATOM 0 HE2 HIS A 20 8.391 7.178 -15.207 1.00 0.00 H new ATOM 222 N GLU A 21 10.190 6.620 -10.513 1.00 0.00 N ATOM 223 CA GLU A 21 9.193 7.031 -9.523 1.00 0.00 C ATOM 224 C GLU A 21 9.085 6.003 -8.397 1.00 0.00 C ATOM 225 O GLU A 21 8.592 4.892 -8.605 1.00 0.00 O ATOM 226 CB GLU A 21 7.826 7.227 -10.185 1.00 0.00 C ATOM 227 CG GLU A 21 7.746 8.463 -11.065 1.00 0.00 C ATOM 228 CD GLU A 21 7.313 9.699 -10.301 1.00 0.00 C ATOM 229 OE1 GLU A 21 8.100 10.182 -9.461 1.00 0.00 O ATOM 230 OE2 GLU A 21 6.186 10.182 -10.541 1.00 0.00 O ATOM 0 H GLU A 21 9.869 5.898 -11.158 1.00 0.00 H new ATOM 0 HA GLU A 21 9.517 7.980 -9.096 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.594 6.348 -10.786 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.063 7.294 -9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.720 8.644 -11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.044 8.280 -11.879 1.00 0.00 H new ATOM 237 N GLY A 22 9.552 6.382 -7.206 1.00 0.00 N ATOM 238 CA GLY A 22 9.511 5.486 -6.058 1.00 0.00 C ATOM 239 C GLY A 22 8.098 5.158 -5.596 1.00 0.00 C ATOM 240 O GLY A 22 7.158 5.162 -6.393 1.00 0.00 O ATOM 0 H GLY A 22 9.960 7.297 -7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.027 4.560 -6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.059 5.940 -5.232 1.00 0.00 H new ATOM 244 N LEU A 23 7.952 4.861 -4.304 1.00 0.00 N ATOM 245 CA LEU A 23 6.648 4.516 -3.735 1.00 0.00 C ATOM 246 C LEU A 23 5.644 5.662 -3.894 1.00 0.00 C ATOM 247 O LEU A 23 4.600 5.493 -4.529 1.00 0.00 O ATOM 248 CB LEU A 23 6.786 4.132 -2.255 1.00 0.00 C ATOM 249 CG LEU A 23 6.082 2.831 -1.857 1.00 0.00 C ATOM 250 CD1 LEU A 23 6.292 2.540 -0.377 1.00 0.00 C ATOM 251 CD2 LEU A 23 4.597 2.906 -2.185 1.00 0.00 C ATOM 0 H LEU A 23 8.720 4.852 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 23 6.267 3.657 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.846 4.042 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.389 4.944 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 23 6.519 2.014 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.785 1.612 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.358 2.441 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.884 3.358 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.113 1.973 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.145 3.734 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.468 3.064 -3.256 1.00 0.00 H new ATOM 263 N GLY A 24 5.963 6.824 -3.319 1.00 0.00 N ATOM 264 CA GLY A 24 5.076 7.977 -3.415 1.00 0.00 C ATOM 265 C GLY A 24 4.169 8.152 -2.202 1.00 0.00 C ATOM 266 O GLY A 24 3.532 9.196 -2.051 1.00 0.00 O ATOM 0 H GLY A 24 6.819 6.987 -2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.677 8.878 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.459 7.877 -4.308 1.00 0.00 H new ATOM 270 N ILE A 25 4.106 7.136 -1.338 1.00 0.00 N ATOM 271 CA ILE A 25 3.271 7.192 -0.139 1.00 0.00 C ATOM 272 C ILE A 25 4.002 6.602 1.064 1.00 0.00 C ATOM 273 O ILE A 25 4.865 5.734 0.911 1.00 0.00 O ATOM 274 CB ILE A 25 1.939 6.432 -0.333 1.00 0.00 C ATOM 275 CG1 ILE A 25 2.200 5.009 -0.838 1.00 0.00 C ATOM 276 CG2 ILE A 25 1.027 7.181 -1.295 1.00 0.00 C ATOM 277 CD1 ILE A 25 1.035 4.066 -0.629 1.00 0.00 C ATOM 0 H ILE A 25 4.624 6.264 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 25 3.055 8.245 0.042 1.00 0.00 H new ATOM 0 HB ILE A 25 1.438 6.368 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.438 5.048 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.077 4.608 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.095 6.629 -1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.812 8.172 -0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.520 7.279 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.293 3.078 -1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.810 3.996 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.161 4.443 -1.161 1.00 0.00 H new ATOM 289 N SER A 26 3.644 7.070 2.259 1.00 0.00 N ATOM 290 CA SER A 26 4.258 6.584 3.491 1.00 0.00 C ATOM 291 C SER A 26 3.228 5.869 4.364 1.00 0.00 C ATOM 292 O SER A 26 2.098 6.339 4.522 1.00 0.00 O ATOM 293 CB SER A 26 4.896 7.743 4.260 1.00 0.00 C ATOM 294 OG SER A 26 6.272 7.867 3.941 1.00 0.00 O ATOM 0 H SER A 26 2.931 7.786 2.399 1.00 0.00 H new ATOM 0 HA SER A 26 5.037 5.869 3.227 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.378 8.672 4.021 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.780 7.581 5.332 1.00 0.00 H new ATOM 0 HG SER A 26 6.658 8.615 4.443 1.00 0.00 H new ATOM 300 N ILE A 27 3.628 4.728 4.926 1.00 0.00 N ATOM 301 CA ILE A 27 2.745 3.935 5.780 1.00 0.00 C ATOM 302 C ILE A 27 3.285 3.832 7.205 1.00 0.00 C ATOM 303 O ILE A 27 4.490 3.960 7.437 1.00 0.00 O ATOM 304 CB ILE A 27 2.543 2.508 5.219 1.00 0.00 C ATOM 305 CG1 ILE A 27 3.893 1.863 4.882 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.641 2.537 3.991 1.00 0.00 C ATOM 307 CD1 ILE A 27 3.809 0.373 4.634 1.00 0.00 C ATOM 0 H ILE A 27 4.560 4.332 4.804 1.00 0.00 H new ATOM 0 HA ILE A 27 1.787 4.454 5.796 1.00 0.00 H new ATOM 0 HB ILE A 27 2.058 1.905 5.986 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.306 2.347 3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.589 2.048 5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.511 1.524 3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.670 2.950 4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.096 3.158 3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.801 -0.014 4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.426 -0.123 5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.139 0.181 3.796 1.00 0.00 H new ATOM 319 N THR A 28 2.383 3.591 8.156 1.00 0.00 N ATOM 320 CA THR A 28 2.760 3.462 9.561 1.00 0.00 C ATOM 321 C THR A 28 1.965 2.344 10.242 1.00 0.00 C ATOM 322 O THR A 28 0.808 2.093 9.897 1.00 0.00 O ATOM 323 CB THR A 28 2.554 4.794 10.295 1.00 0.00 C ATOM 324 OG1 THR A 28 2.954 4.687 11.651 1.00 0.00 O ATOM 325 CG2 THR A 28 1.120 5.287 10.277 1.00 0.00 C ATOM 0 H THR A 28 1.385 3.481 7.977 1.00 0.00 H new ATOM 0 HA THR A 28 3.817 3.200 9.606 1.00 0.00 H new ATOM 0 HB THR A 28 3.169 5.512 9.753 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.817 5.546 12.101 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.054 6.233 10.815 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.798 5.433 9.246 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.476 4.550 10.757 1.00 0.00 H new ATOM 333 N GLY A 29 2.602 1.674 11.206 1.00 0.00 N ATOM 334 CA GLY A 29 1.955 0.586 11.924 1.00 0.00 C ATOM 335 C GLY A 29 2.788 -0.686 11.923 1.00 0.00 C ATOM 336 O GLY A 29 3.977 -0.654 11.599 1.00 0.00 O ATOM 0 H GLY A 29 3.559 1.868 11.502 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.768 0.894 12.953 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.985 0.382 11.471 1.00 0.00 H new ATOM 340 N GLY A 30 2.164 -1.809 12.287 1.00 0.00 N ATOM 341 CA GLY A 30 2.874 -3.080 12.319 1.00 0.00 C ATOM 342 C GLY A 30 1.986 -4.236 12.743 1.00 0.00 C ATOM 343 O GLY A 30 1.519 -4.281 13.884 1.00 0.00 O ATOM 0 H GLY A 30 1.182 -1.860 12.559 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.286 -3.287 11.331 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.717 -3.004 13.006 1.00 0.00 H new ATOM 347 N LYS A 31 1.753 -5.174 11.822 1.00 0.00 N ATOM 348 CA LYS A 31 0.913 -6.341 12.100 1.00 0.00 C ATOM 349 C LYS A 31 1.486 -7.190 13.236 1.00 0.00 C ATOM 350 O LYS A 31 0.734 -7.832 13.971 1.00 0.00 O ATOM 351 CB LYS A 31 0.745 -7.197 10.843 1.00 0.00 C ATOM 352 CG LYS A 31 -0.601 -7.899 10.757 1.00 0.00 C ATOM 353 CD LYS A 31 -1.741 -6.907 10.571 1.00 0.00 C ATOM 354 CE LYS A 31 -3.042 -7.434 11.157 1.00 0.00 C ATOM 355 NZ LYS A 31 -3.069 -7.338 12.645 1.00 0.00 N ATOM 0 H LYS A 31 2.135 -5.148 10.876 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.063 -5.971 12.413 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.872 -6.565 9.964 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.537 -7.945 10.815 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.592 -8.603 9.925 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.768 -8.479 11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.483 -5.961 11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.876 -6.702 9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.879 -6.872 10.743 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.178 -8.474 10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.698 -8.072 13.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.108 -7.474 13.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.420 -6.400 12.926 1.00 0.00 H new ATOM 369 N GLU A 32 2.814 -7.184 13.383 1.00 0.00 N ATOM 370 CA GLU A 32 3.475 -7.945 14.443 1.00 0.00 C ATOM 371 C GLU A 32 2.954 -7.530 15.822 1.00 0.00 C ATOM 372 O GLU A 32 2.903 -8.343 16.744 1.00 0.00 O ATOM 373 CB GLU A 32 4.991 -7.738 14.378 1.00 0.00 C ATOM 374 CG GLU A 32 5.793 -8.915 14.908 1.00 0.00 C ATOM 375 CD GLU A 32 7.209 -8.530 15.288 1.00 0.00 C ATOM 376 OE1 GLU A 32 7.381 -7.805 16.291 1.00 0.00 O ATOM 377 OE2 GLU A 32 8.146 -8.952 14.579 1.00 0.00 O ATOM 0 H GLU A 32 3.450 -6.661 12.781 1.00 0.00 H new ATOM 0 HA GLU A 32 3.250 -9.001 14.291 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.279 -7.550 13.344 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.252 -6.846 14.948 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.287 -9.332 15.779 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.824 -9.699 14.152 1.00 0.00 H new ATOM 384 N HIS A 33 2.564 -6.260 15.951 1.00 0.00 N ATOM 385 CA HIS A 33 2.041 -5.734 17.212 1.00 0.00 C ATOM 386 C HIS A 33 0.575 -6.129 17.415 1.00 0.00 C ATOM 387 O HIS A 33 0.087 -6.159 18.546 1.00 0.00 O ATOM 388 CB HIS A 33 2.167 -4.207 17.252 1.00 0.00 C ATOM 389 CG HIS A 33 3.548 -3.698 16.962 1.00 0.00 C ATOM 390 ND1 HIS A 33 4.368 -3.154 17.928 1.00 0.00 N ATOM 391 CD2 HIS A 33 4.248 -3.646 15.805 1.00 0.00 C ATOM 392 CE1 HIS A 33 5.512 -2.790 17.377 1.00 0.00 C ATOM 393 NE2 HIS A 33 5.465 -3.079 16.089 1.00 0.00 N ATOM 0 H HIS A 33 2.601 -5.576 15.195 1.00 0.00 H new ATOM 0 HA HIS A 33 2.633 -6.168 18.017 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.474 -3.777 16.529 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.861 -3.854 18.237 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.911 -3.987 14.837 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.344 -2.334 17.892 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.212 -2.909 15.415 1.00 0.00 H new ATOM 402 N GLY A 34 -0.120 -6.426 16.315 1.00 0.00 N ATOM 403 CA GLY A 34 -1.520 -6.811 16.393 1.00 0.00 C ATOM 404 C GLY A 34 -2.455 -5.828 15.700 1.00 0.00 C ATOM 405 O GLY A 34 -3.651 -5.797 15.995 1.00 0.00 O ATOM 0 H GLY A 34 0.264 -6.406 15.370 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.644 -7.797 15.945 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.808 -6.898 17.441 1.00 0.00 H new ATOM 409 N VAL A 35 -1.917 -5.029 14.773 1.00 0.00 N ATOM 410 CA VAL A 35 -2.720 -4.051 14.039 1.00 0.00 C ATOM 411 C VAL A 35 -2.225 -3.897 12.599 1.00 0.00 C ATOM 412 O VAL A 35 -1.020 -3.888 12.350 1.00 0.00 O ATOM 413 CB VAL A 35 -2.696 -2.665 14.717 1.00 0.00 C ATOM 414 CG1 VAL A 35 -3.513 -2.677 15.999 1.00 0.00 C ATOM 415 CG2 VAL A 35 -1.265 -2.226 14.993 1.00 0.00 C ATOM 0 H VAL A 35 -0.930 -5.042 14.515 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.742 -4.431 14.039 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.147 -1.945 14.035 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.482 -1.690 16.460 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.546 -2.938 15.770 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.098 -3.412 16.688 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.271 -1.246 15.471 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.783 -2.949 15.652 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.715 -2.168 14.054 1.00 0.00 H new ATOM 425 N PRO A 36 -3.152 -3.766 11.629 1.00 0.00 N ATOM 426 CA PRO A 36 -2.797 -3.604 10.212 1.00 0.00 C ATOM 427 C PRO A 36 -2.111 -2.267 9.933 1.00 0.00 C ATOM 428 O PRO A 36 -2.270 -1.309 10.692 1.00 0.00 O ATOM 429 CB PRO A 36 -4.147 -3.678 9.491 1.00 0.00 C ATOM 430 CG PRO A 36 -5.151 -3.277 10.517 1.00 0.00 C ATOM 431 CD PRO A 36 -4.613 -3.758 11.836 1.00 0.00 C ATOM 0 HA PRO A 36 -2.085 -4.361 9.883 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.173 -3.010 8.630 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.342 -4.684 9.119 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.291 -2.196 10.524 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -6.123 -3.723 10.306 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.899 -3.095 12.652 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.989 -4.750 12.085 1.00 0.00 H new ATOM 439 N ILE A 37 -1.348 -2.211 8.843 1.00 0.00 N ATOM 440 CA ILE A 37 -0.637 -0.991 8.463 1.00 0.00 C ATOM 441 C ILE A 37 -1.540 -0.068 7.641 1.00 0.00 C ATOM 442 O ILE A 37 -2.273 -0.528 6.763 1.00 0.00 O ATOM 443 CB ILE A 37 0.643 -1.303 7.652 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.487 -2.377 8.353 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.465 -0.036 7.442 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.967 -3.472 7.423 1.00 0.00 C ATOM 0 H ILE A 37 -1.206 -2.996 8.207 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.350 -0.491 9.388 1.00 0.00 H new ATOM 0 HB ILE A 37 0.341 -1.688 6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.351 -1.902 8.818 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.899 -2.824 9.154 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.362 -0.275 6.870 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.871 0.697 6.897 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.751 0.377 8.409 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.557 -4.195 7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.108 -3.973 6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.582 -3.037 6.636 1.00 0.00 H new ATOM 458 N LEU A 38 -1.486 1.233 7.935 1.00 0.00 N ATOM 459 CA LEU A 38 -2.303 2.219 7.228 1.00 0.00 C ATOM 460 C LEU A 38 -1.449 3.377 6.701 1.00 0.00 C ATOM 461 O LEU A 38 -0.414 3.711 7.281 1.00 0.00 O ATOM 462 CB LEU A 38 -3.399 2.761 8.155 1.00 0.00 C ATOM 463 CG LEU A 38 -4.477 1.746 8.552 1.00 0.00 C ATOM 464 CD1 LEU A 38 -3.987 0.858 9.686 1.00 0.00 C ATOM 465 CD2 LEU A 38 -5.763 2.460 8.948 1.00 0.00 C ATOM 0 H LEU A 38 -0.884 1.627 8.658 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.764 1.720 6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.930 3.143 9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.881 3.607 7.665 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.686 1.114 7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.767 0.145 9.953 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.096 0.318 9.366 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.747 1.474 10.553 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.517 1.724 9.227 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.568 3.118 9.795 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.126 3.050 8.106 1.00 0.00 H new ATOM 477 N ILE A 39 -1.896 3.987 5.599 1.00 0.00 N ATOM 478 CA ILE A 39 -1.184 5.113 4.991 1.00 0.00 C ATOM 479 C ILE A 39 -1.614 6.434 5.626 1.00 0.00 C ATOM 480 O ILE A 39 -2.798 6.778 5.611 1.00 0.00 O ATOM 481 CB ILE A 39 -1.435 5.193 3.466 1.00 0.00 C ATOM 482 CG1 ILE A 39 -1.195 3.832 2.803 1.00 0.00 C ATOM 483 CG2 ILE A 39 -0.546 6.257 2.833 1.00 0.00 C ATOM 484 CD1 ILE A 39 -1.920 3.665 1.484 1.00 0.00 C ATOM 0 H ILE A 39 -2.750 3.718 5.110 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.122 4.944 5.167 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.477 5.472 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.125 3.700 2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.513 3.044 3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.736 6.299 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.766 7.227 3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.501 6.007 3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.704 2.679 1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.994 3.764 1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.585 4.431 0.785 1.00 0.00 H new ATOM 496 N SER A 40 -0.647 7.169 6.180 1.00 0.00 N ATOM 497 CA SER A 40 -0.925 8.454 6.822 1.00 0.00 C ATOM 498 C SER A 40 -0.313 9.627 6.043 1.00 0.00 C ATOM 499 O SER A 40 -0.826 10.747 6.101 1.00 0.00 O ATOM 500 CB SER A 40 -0.401 8.449 8.261 1.00 0.00 C ATOM 501 OG SER A 40 -1.422 8.086 9.176 1.00 0.00 O ATOM 0 H SER A 40 0.335 6.895 6.196 1.00 0.00 H new ATOM 0 HA SER A 40 -2.006 8.591 6.830 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.432 7.751 8.345 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.016 9.437 8.514 1.00 0.00 H new ATOM 0 HG SER A 40 -1.061 8.089 10.087 1.00 0.00 H new ATOM 507 N GLU A 41 0.781 9.375 5.315 1.00 0.00 N ATOM 508 CA GLU A 41 1.438 10.425 4.537 1.00 0.00 C ATOM 509 C GLU A 41 1.243 10.203 3.037 1.00 0.00 C ATOM 510 O GLU A 41 1.232 9.063 2.566 1.00 0.00 O ATOM 511 CB GLU A 41 2.933 10.472 4.862 1.00 0.00 C ATOM 512 CG GLU A 41 3.327 11.594 5.814 1.00 0.00 C ATOM 513 CD GLU A 41 4.412 11.181 6.792 1.00 0.00 C ATOM 514 OE1 GLU A 41 5.453 10.656 6.340 1.00 0.00 O ATOM 515 OE2 GLU A 41 4.222 11.380 8.010 1.00 0.00 O ATOM 0 H GLU A 41 1.225 8.459 5.250 1.00 0.00 H new ATOM 0 HA GLU A 41 0.981 11.377 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.229 9.518 5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.493 10.585 3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.672 12.451 5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.447 11.919 6.370 1.00 0.00 H new ATOM 522 N ILE A 42 1.098 11.302 2.293 1.00 0.00 N ATOM 523 CA ILE A 42 0.910 11.240 0.844 1.00 0.00 C ATOM 524 C ILE A 42 1.821 12.245 0.139 1.00 0.00 C ATOM 525 O ILE A 42 1.744 13.448 0.396 1.00 0.00 O ATOM 526 CB ILE A 42 -0.556 11.533 0.442 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.533 10.682 1.263 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.761 11.289 -1.048 1.00 0.00 C ATOM 529 CD1 ILE A 42 -1.446 9.196 0.976 1.00 0.00 C ATOM 0 H ILE A 42 1.107 12.248 2.673 1.00 0.00 H new ATOM 0 HA ILE A 42 1.164 10.226 0.536 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.760 12.583 0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.342 10.849 2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.550 11.021 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.797 11.500 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.101 11.943 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.532 10.249 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.167 8.663 1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.667 9.015 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.441 8.840 1.202 1.00 0.00 H new ATOM 541 N HIS A 43 2.685 11.751 -0.748 1.00 0.00 N ATOM 542 CA HIS A 43 3.603 12.619 -1.480 1.00 0.00 C ATOM 543 C HIS A 43 3.062 12.945 -2.872 1.00 0.00 C ATOM 544 O HIS A 43 2.972 12.064 -3.732 1.00 0.00 O ATOM 545 CB HIS A 43 4.984 11.968 -1.594 1.00 0.00 C ATOM 546 CG HIS A 43 5.850 12.182 -0.390 1.00 0.00 C ATOM 547 ND1 HIS A 43 6.496 13.373 -0.131 1.00 0.00 N ATOM 548 CD2 HIS A 43 6.178 11.350 0.628 1.00 0.00 C ATOM 549 CE1 HIS A 43 7.184 13.264 0.992 1.00 0.00 C ATOM 550 NE2 HIS A 43 7.008 12.047 1.472 1.00 0.00 N ATOM 0 H HIS A 43 2.767 10.760 -0.975 1.00 0.00 H new ATOM 0 HA HIS A 43 3.696 13.550 -0.921 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.859 10.897 -1.756 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.493 12.366 -2.472 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.848 10.329 0.753 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.788 14.039 1.441 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.421 11.683 2.331 1.00 0.00 H new ATOM 559 N PRO A 44 2.696 14.222 -3.115 1.00 0.00 N ATOM 560 CA PRO A 44 2.166 14.663 -4.413 1.00 0.00 C ATOM 561 C PRO A 44 3.224 14.639 -5.515 1.00 0.00 C ATOM 562 O PRO A 44 4.418 14.795 -5.247 1.00 0.00 O ATOM 563 CB PRO A 44 1.706 16.099 -4.148 1.00 0.00 C ATOM 564 CG PRO A 44 2.513 16.555 -2.982 1.00 0.00 C ATOM 565 CD PRO A 44 2.776 15.333 -2.145 1.00 0.00 C ATOM 0 HA PRO A 44 1.371 14.006 -4.767 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.875 16.734 -5.017 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.639 16.137 -3.928 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.448 17.010 -3.310 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.975 17.310 -2.409 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.755 15.378 -1.667 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.038 15.225 -1.350 1.00 0.00 H new ATOM 573 N GLY A 45 2.777 14.441 -6.757 1.00 0.00 N ATOM 574 CA GLY A 45 3.694 14.397 -7.886 1.00 0.00 C ATOM 575 C GLY A 45 3.940 12.984 -8.388 1.00 0.00 C ATOM 576 O GLY A 45 4.062 12.761 -9.593 1.00 0.00 O ATOM 0 H GLY A 45 1.795 14.310 -7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.292 15.002 -8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.644 14.845 -7.595 1.00 0.00 H new ATOM 580 N GLN A 46 4.009 12.030 -7.462 1.00 0.00 N ATOM 581 CA GLN A 46 4.237 10.632 -7.810 1.00 0.00 C ATOM 582 C GLN A 46 2.926 9.955 -8.221 1.00 0.00 C ATOM 583 O GLN A 46 1.859 10.569 -8.157 1.00 0.00 O ATOM 584 CB GLN A 46 4.870 9.897 -6.624 1.00 0.00 C ATOM 585 CG GLN A 46 6.331 9.536 -6.845 1.00 0.00 C ATOM 586 CD GLN A 46 7.110 9.425 -5.549 1.00 0.00 C ATOM 587 OE1 GLN A 46 7.675 8.375 -5.240 1.00 0.00 O ATOM 588 NE2 GLN A 46 7.145 10.508 -4.780 1.00 0.00 N ATOM 0 H GLN A 46 3.910 12.202 -6.462 1.00 0.00 H new ATOM 0 HA GLN A 46 4.920 10.590 -8.658 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.789 10.521 -5.734 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.304 8.986 -6.427 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.390 8.589 -7.381 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.795 10.291 -7.479 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.663 11.358 -5.074 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.654 10.490 -3.896 1.00 0.00 H new ATOM 597 N PRO A 47 2.986 8.674 -8.650 1.00 0.00 N ATOM 598 CA PRO A 47 1.797 7.914 -9.068 1.00 0.00 C ATOM 599 C PRO A 47 0.664 7.956 -8.040 1.00 0.00 C ATOM 600 O PRO A 47 -0.509 7.892 -8.406 1.00 0.00 O ATOM 601 CB PRO A 47 2.322 6.485 -9.212 1.00 0.00 C ATOM 602 CG PRO A 47 3.766 6.646 -9.526 1.00 0.00 C ATOM 603 CD PRO A 47 4.217 7.862 -8.763 1.00 0.00 C ATOM 0 HA PRO A 47 1.363 8.327 -9.979 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.177 5.915 -8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.801 5.949 -10.006 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.332 5.764 -9.227 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.921 6.776 -10.597 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.614 7.597 -7.783 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.005 8.399 -9.292 1.00 0.00 H new ATOM 611 N ALA A 48 1.022 8.063 -6.756 1.00 0.00 N ATOM 612 CA ALA A 48 0.031 8.115 -5.682 1.00 0.00 C ATOM 613 C ALA A 48 -0.939 9.281 -5.880 1.00 0.00 C ATOM 614 O ALA A 48 -2.154 9.115 -5.762 1.00 0.00 O ATOM 615 CB ALA A 48 0.724 8.225 -4.331 1.00 0.00 C ATOM 0 H ALA A 48 1.990 8.115 -6.438 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.546 7.191 -5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.025 8.263 -3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.367 7.358 -4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.326 9.133 -4.304 1.00 0.00 H new ATOM 621 N ASP A 49 -0.393 10.457 -6.193 1.00 0.00 N ATOM 622 CA ASP A 49 -1.212 11.648 -6.418 1.00 0.00 C ATOM 623 C ASP A 49 -1.996 11.528 -7.723 1.00 0.00 C ATOM 624 O ASP A 49 -3.176 11.875 -7.781 1.00 0.00 O ATOM 625 CB ASP A 49 -0.337 12.902 -6.447 1.00 0.00 C ATOM 626 CG ASP A 49 -1.029 14.102 -5.829 1.00 0.00 C ATOM 627 OD1 ASP A 49 -1.152 14.140 -4.587 1.00 0.00 O ATOM 628 OD2 ASP A 49 -1.443 15.003 -6.586 1.00 0.00 O ATOM 0 H ASP A 49 0.610 10.610 -6.296 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.920 11.731 -5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.592 12.706 -5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.069 13.131 -7.478 1.00 0.00 H new ATOM 633 N ARG A 50 -1.332 11.025 -8.765 1.00 0.00 N ATOM 634 CA ARG A 50 -1.968 10.845 -10.073 1.00 0.00 C ATOM 635 C ARG A 50 -3.136 9.860 -9.987 1.00 0.00 C ATOM 636 O ARG A 50 -4.101 9.966 -10.745 1.00 0.00 O ATOM 637 CB ARG A 50 -0.950 10.344 -11.099 1.00 0.00 C ATOM 638 CG ARG A 50 0.274 11.236 -11.239 1.00 0.00 C ATOM 639 CD ARG A 50 1.433 10.491 -11.880 1.00 0.00 C ATOM 640 NE ARG A 50 1.439 10.636 -13.335 1.00 0.00 N ATOM 641 CZ ARG A 50 1.887 11.719 -13.977 1.00 0.00 C ATOM 642 NH1 ARG A 50 2.364 12.761 -13.296 1.00 0.00 N ATOM 643 NH2 ARG A 50 1.856 11.762 -15.304 1.00 0.00 N ATOM 0 H ARG A 50 -0.355 10.735 -8.730 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.352 11.814 -10.391 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.627 9.342 -10.816 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.439 10.259 -12.070 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.023 12.109 -11.842 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.573 11.602 -10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.373 10.865 -11.474 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.372 9.434 -11.621 1.00 0.00 H new ATOM 0 HE ARG A 50 1.079 9.863 -13.894 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.389 12.736 -12.277 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.704 13.584 -13.794 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.491 10.969 -15.832 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.198 12.588 -15.796 1.00 0.00 H new ATOM 657 N CYS A 51 -3.042 8.902 -9.061 1.00 0.00 N ATOM 658 CA CYS A 51 -4.092 7.902 -8.881 1.00 0.00 C ATOM 659 C CYS A 51 -5.360 8.523 -8.286 1.00 0.00 C ATOM 660 O CYS A 51 -6.464 8.034 -8.529 1.00 0.00 O ATOM 661 CB CYS A 51 -3.599 6.771 -7.972 1.00 0.00 C ATOM 662 SG CYS A 51 -4.276 5.149 -8.391 1.00 0.00 S ATOM 0 H CYS A 51 -2.250 8.800 -8.426 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.336 7.499 -9.864 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.511 6.724 -8.024 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.859 7.007 -6.940 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.458 4.531 -9.190 1.00 0.00 H new ATOM 668 N GLY A 52 -5.200 9.601 -7.510 1.00 0.00 N ATOM 669 CA GLY A 52 -6.345 10.264 -6.899 1.00 0.00 C ATOM 670 C GLY A 52 -6.880 9.515 -5.688 1.00 0.00 C ATOM 671 O GLY A 52 -6.966 10.076 -4.595 1.00 0.00 O ATOM 0 H GLY A 52 -4.297 10.025 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.059 11.272 -6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.139 10.364 -7.639 1.00 0.00 H new ATOM 675 N GLY A 53 -7.242 8.244 -5.890 1.00 0.00 N ATOM 676 CA GLY A 53 -7.770 7.419 -4.812 1.00 0.00 C ATOM 677 C GLY A 53 -6.847 7.324 -3.602 1.00 0.00 C ATOM 678 O GLY A 53 -7.313 7.051 -2.495 1.00 0.00 O ATOM 0 H GLY A 53 -7.177 7.770 -6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.731 7.824 -4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.958 6.415 -5.194 1.00 0.00 H new ATOM 682 N LEU A 54 -5.547 7.548 -3.808 1.00 0.00 N ATOM 683 CA LEU A 54 -4.576 7.488 -2.715 1.00 0.00 C ATOM 684 C LEU A 54 -4.833 8.615 -1.709 1.00 0.00 C ATOM 685 O LEU A 54 -4.303 9.720 -1.846 1.00 0.00 O ATOM 686 CB LEU A 54 -3.142 7.574 -3.263 1.00 0.00 C ATOM 687 CG LEU A 54 -2.194 6.458 -2.810 1.00 0.00 C ATOM 688 CD1 LEU A 54 -2.200 6.327 -1.293 1.00 0.00 C ATOM 689 CD2 LEU A 54 -2.568 5.135 -3.467 1.00 0.00 C ATOM 0 H LEU A 54 -5.144 7.772 -4.718 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.692 6.533 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.187 7.569 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.715 8.532 -2.966 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.184 6.721 -3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.520 5.529 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.876 7.267 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.208 6.091 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.883 4.356 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.587 4.866 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.502 5.235 -4.550 1.00 0.00 H new ATOM 701 N HIS A 55 -5.664 8.324 -0.707 1.00 0.00 N ATOM 702 CA HIS A 55 -6.016 9.302 0.321 1.00 0.00 C ATOM 703 C HIS A 55 -5.482 8.879 1.689 1.00 0.00 C ATOM 704 O HIS A 55 -5.238 7.695 1.931 1.00 0.00 O ATOM 705 CB HIS A 55 -7.542 9.477 0.391 1.00 0.00 C ATOM 706 CG HIS A 55 -8.287 8.206 0.696 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.147 7.519 1.885 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.167 7.488 -0.047 1.00 0.00 C ATOM 709 CE1 HIS A 55 -8.900 6.435 1.857 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.528 6.393 0.698 1.00 0.00 N ATOM 0 H HIS A 55 -6.107 7.413 -0.586 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.556 10.252 0.050 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.778 10.218 1.155 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.896 9.875 -0.560 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.518 7.732 -1.039 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.987 5.706 2.649 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.178 5.664 0.403 1.00 0.00 H new ATOM 719 N VAL A 56 -5.316 9.854 2.584 1.00 0.00 N ATOM 720 CA VAL A 56 -4.827 9.579 3.935 1.00 0.00 C ATOM 721 C VAL A 56 -5.820 8.701 4.701 1.00 0.00 C ATOM 722 O VAL A 56 -7.033 8.911 4.623 1.00 0.00 O ATOM 723 CB VAL A 56 -4.586 10.881 4.734 1.00 0.00 C ATOM 724 CG1 VAL A 56 -3.913 10.580 6.067 1.00 0.00 C ATOM 725 CG2 VAL A 56 -3.756 11.871 3.926 1.00 0.00 C ATOM 0 H VAL A 56 -5.512 10.838 2.398 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.877 9.055 3.828 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.556 11.336 4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.753 11.510 6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.550 9.920 6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.954 10.094 5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.601 12.778 4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.791 11.425 3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.282 12.119 3.004 1.00 0.00 H new ATOM 735 N GLY A 57 -5.298 7.717 5.433 1.00 0.00 N ATOM 736 CA GLY A 57 -6.147 6.818 6.200 1.00 0.00 C ATOM 737 C GLY A 57 -6.572 5.600 5.399 1.00 0.00 C ATOM 738 O GLY A 57 -7.748 5.229 5.403 1.00 0.00 O ATOM 0 H GLY A 57 -4.299 7.526 5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.614 6.494 7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.033 7.357 6.535 1.00 0.00 H new ATOM 742 N ASP A 58 -5.612 4.980 4.710 1.00 0.00 N ATOM 743 CA ASP A 58 -5.890 3.798 3.897 1.00 0.00 C ATOM 744 C ASP A 58 -5.219 2.556 4.487 1.00 0.00 C ATOM 745 O ASP A 58 -3.997 2.519 4.638 1.00 0.00 O ATOM 746 CB ASP A 58 -5.423 4.024 2.453 1.00 0.00 C ATOM 747 CG ASP A 58 -6.578 4.260 1.493 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.617 3.575 1.627 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.443 5.131 0.607 1.00 0.00 O ATOM 0 H ASP A 58 -4.636 5.278 4.700 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.967 3.631 3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.750 4.881 2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.851 3.158 2.121 1.00 0.00 H new ATOM 754 N ALA A 59 -6.023 1.539 4.814 1.00 0.00 N ATOM 755 CA ALA A 59 -5.501 0.295 5.384 1.00 0.00 C ATOM 756 C ALA A 59 -5.274 -0.758 4.301 1.00 0.00 C ATOM 757 O ALA A 59 -6.202 -1.129 3.581 1.00 0.00 O ATOM 758 CB ALA A 59 -6.448 -0.240 6.452 1.00 0.00 C ATOM 0 H ALA A 59 -7.036 1.554 4.694 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.539 0.517 5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.045 -1.165 6.865 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.553 0.498 7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.424 -0.436 6.008 1.00 0.00 H new ATOM 764 N ILE A 60 -4.033 -1.236 4.192 1.00 0.00 N ATOM 765 CA ILE A 60 -3.679 -2.249 3.195 1.00 0.00 C ATOM 766 C ILE A 60 -4.149 -3.639 3.620 1.00 0.00 C ATOM 767 O ILE A 60 -3.960 -4.045 4.768 1.00 0.00 O ATOM 768 CB ILE A 60 -2.155 -2.298 2.939 1.00 0.00 C ATOM 769 CG1 ILE A 60 -1.593 -0.892 2.704 1.00 0.00 C ATOM 770 CG2 ILE A 60 -1.847 -3.199 1.749 1.00 0.00 C ATOM 771 CD1 ILE A 60 -0.884 -0.313 3.910 1.00 0.00 C ATOM 0 H ILE A 60 -3.256 -0.938 4.782 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.185 -1.959 2.274 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.674 -2.711 3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.898 -0.923 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.408 -0.227 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.770 -3.224 1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.206 -4.208 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.344 -2.811 0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.513 0.683 3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.581 -0.249 4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.047 -0.956 4.184 1.00 0.00 H new ATOM 783 N LEU A 61 -4.751 -4.365 2.677 1.00 0.00 N ATOM 784 CA LEU A 61 -5.241 -5.716 2.938 1.00 0.00 C ATOM 785 C LEU A 61 -4.594 -6.727 1.985 1.00 0.00 C ATOM 786 O LEU A 61 -4.067 -7.752 2.425 1.00 0.00 O ATOM 787 CB LEU A 61 -6.767 -5.761 2.808 1.00 0.00 C ATOM 788 CG LEU A 61 -7.535 -5.015 3.905 1.00 0.00 C ATOM 789 CD1 LEU A 61 -8.934 -4.649 3.430 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.603 -5.854 5.175 1.00 0.00 C ATOM 0 H LEU A 61 -4.910 -4.038 1.724 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.967 -5.988 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.046 -5.342 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.086 -6.803 2.808 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.999 -4.093 4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.461 -4.120 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.864 -4.007 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.480 -5.557 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.152 -5.308 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.113 -6.794 4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.593 -6.061 5.529 1.00 0.00 H new ATOM 802 N ALA A 62 -4.631 -6.432 0.680 1.00 0.00 N ATOM 803 CA ALA A 62 -4.042 -7.316 -0.327 1.00 0.00 C ATOM 804 C ALA A 62 -3.383 -6.518 -1.451 1.00 0.00 C ATOM 805 O ALA A 62 -3.849 -5.437 -1.813 1.00 0.00 O ATOM 806 CB ALA A 62 -5.099 -8.256 -0.891 1.00 0.00 C ATOM 0 H ALA A 62 -5.062 -5.589 0.299 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.267 -7.909 0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.645 -8.907 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.514 -8.862 -0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.895 -7.673 -1.353 1.00 0.00 H new ATOM 812 N VAL A 63 -2.296 -7.060 -2.000 1.00 0.00 N ATOM 813 CA VAL A 63 -1.573 -6.402 -3.087 1.00 0.00 C ATOM 814 C VAL A 63 -1.206 -7.407 -4.172 1.00 0.00 C ATOM 815 O VAL A 63 -0.433 -8.336 -3.930 1.00 0.00 O ATOM 816 CB VAL A 63 -0.286 -5.709 -2.585 1.00 0.00 C ATOM 817 CG1 VAL A 63 0.353 -4.889 -3.699 1.00 0.00 C ATOM 818 CG2 VAL A 63 -0.584 -4.837 -1.373 1.00 0.00 C ATOM 0 H VAL A 63 -1.897 -7.953 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.238 -5.642 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 63 0.423 -6.480 -2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.257 -4.409 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.608 -5.544 -4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.348 -4.126 -4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.335 -4.358 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.313 -4.073 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.988 -5.455 -0.571 1.00 0.00 H new ATOM 828 N ASN A 64 -1.769 -7.215 -5.367 1.00 0.00 N ATOM 829 CA ASN A 64 -1.513 -8.105 -6.498 1.00 0.00 C ATOM 830 C ASN A 64 -1.937 -9.541 -6.174 1.00 0.00 C ATOM 831 O ASN A 64 -1.320 -10.503 -6.636 1.00 0.00 O ATOM 832 CB ASN A 64 -0.029 -8.063 -6.888 1.00 0.00 C ATOM 833 CG ASN A 64 0.174 -8.022 -8.393 1.00 0.00 C ATOM 834 OD1 ASN A 64 -0.732 -8.346 -9.163 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.365 -7.623 -8.823 1.00 0.00 N ATOM 0 H ASN A 64 -2.408 -6.447 -5.575 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.108 -7.757 -7.343 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.438 -7.187 -6.437 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.476 -8.939 -6.480 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.557 -7.576 -9.824 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.089 -7.363 -8.153 1.00 0.00 H new ATOM 842 N GLY A 65 -2.994 -9.680 -5.367 1.00 0.00 N ATOM 843 CA GLY A 65 -3.476 -10.999 -4.986 1.00 0.00 C ATOM 844 C GLY A 65 -2.784 -11.560 -3.747 1.00 0.00 C ATOM 845 O GLY A 65 -3.263 -12.528 -3.153 1.00 0.00 O ATOM 0 H GLY A 65 -3.522 -8.902 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.549 -10.947 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.328 -11.687 -5.819 1.00 0.00 H new ATOM 849 N VAL A 66 -1.660 -10.953 -3.351 1.00 0.00 N ATOM 850 CA VAL A 66 -0.914 -11.402 -2.177 1.00 0.00 C ATOM 851 C VAL A 66 -1.535 -10.843 -0.900 1.00 0.00 C ATOM 852 O VAL A 66 -1.830 -9.649 -0.816 1.00 0.00 O ATOM 853 CB VAL A 66 0.568 -10.971 -2.253 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.370 -11.564 -1.101 1.00 0.00 C ATOM 855 CG2 VAL A 66 1.175 -11.369 -3.594 1.00 0.00 C ATOM 0 H VAL A 66 -1.249 -10.150 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.962 -12.491 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 66 0.609 -9.885 -2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.409 -11.245 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.955 -11.220 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.320 -12.652 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.219 -11.057 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.116 -12.451 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.625 -10.884 -4.401 1.00 0.00 H new ATOM 865 N ASN A 67 -1.729 -11.712 0.092 1.00 0.00 N ATOM 866 CA ASN A 67 -2.314 -11.301 1.364 1.00 0.00 C ATOM 867 C ASN A 67 -1.289 -10.552 2.211 1.00 0.00 C ATOM 868 O ASN A 67 -0.190 -11.051 2.455 1.00 0.00 O ATOM 869 CB ASN A 67 -2.849 -12.518 2.137 1.00 0.00 C ATOM 870 CG ASN A 67 -1.779 -13.561 2.417 1.00 0.00 C ATOM 871 OD1 ASN A 67 -1.180 -14.115 1.493 1.00 0.00 O ATOM 872 ND2 ASN A 67 -1.534 -13.839 3.695 1.00 0.00 N ATOM 0 H ASN A 67 -1.490 -12.702 0.038 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.147 -10.632 1.150 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.277 -12.182 3.081 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -3.656 -12.978 1.567 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.828 -14.533 3.940 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.052 -13.358 4.430 1.00 0.00 H new ATOM 879 N LEU A 68 -1.657 -9.353 2.660 1.00 0.00 N ATOM 880 CA LEU A 68 -0.770 -8.536 3.487 1.00 0.00 C ATOM 881 C LEU A 68 -1.400 -8.225 4.851 1.00 0.00 C ATOM 882 O LEU A 68 -0.793 -7.534 5.671 1.00 0.00 O ATOM 883 CB LEU A 68 -0.421 -7.231 2.764 1.00 0.00 C ATOM 884 CG LEU A 68 1.075 -7.006 2.512 1.00 0.00 C ATOM 885 CD1 LEU A 68 1.300 -6.362 1.152 1.00 0.00 C ATOM 886 CD2 LEU A 68 1.680 -6.147 3.613 1.00 0.00 C ATOM 0 H LEU A 68 -2.563 -8.926 2.465 1.00 0.00 H new ATOM 0 HA LEU A 68 0.142 -9.108 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.941 -7.214 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.804 -6.396 3.350 1.00 0.00 H new ATOM 0 HG LEU A 68 1.571 -7.976 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.368 -6.211 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.905 -7.013 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.788 -5.400 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.742 -5.999 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.177 -5.180 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.555 -6.646 4.574 1.00 0.00 H new ATOM 898 N ARG A 69 -2.613 -8.739 5.094 1.00 0.00 N ATOM 899 CA ARG A 69 -3.303 -8.510 6.362 1.00 0.00 C ATOM 900 C ARG A 69 -2.635 -9.280 7.504 1.00 0.00 C ATOM 901 O ARG A 69 -2.653 -8.831 8.648 1.00 0.00 O ATOM 902 CB ARG A 69 -4.780 -8.908 6.257 1.00 0.00 C ATOM 903 CG ARG A 69 -5.675 -8.233 7.291 1.00 0.00 C ATOM 904 CD ARG A 69 -6.927 -9.054 7.571 1.00 0.00 C ATOM 905 NE ARG A 69 -7.925 -8.302 8.338 1.00 0.00 N ATOM 906 CZ ARG A 69 -8.976 -8.860 8.950 1.00 0.00 C ATOM 907 NH1 ARG A 69 -9.177 -10.175 8.888 1.00 0.00 N ATOM 908 NH2 ARG A 69 -9.832 -8.099 9.625 1.00 0.00 N ATOM 0 H ARG A 69 -3.132 -9.313 4.430 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.239 -7.444 6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.143 -8.661 5.259 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.864 -9.989 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.118 -8.090 8.217 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.960 -7.243 6.935 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.366 -9.377 6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.653 -9.955 8.120 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.811 -7.291 8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.527 -10.766 8.371 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.981 -10.591 9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.687 -7.091 9.676 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.633 -8.524 10.092 1.00 0.00 H new ATOM 922 N ASP A 70 -2.053 -10.442 7.192 1.00 0.00 N ATOM 923 CA ASP A 70 -1.384 -11.260 8.207 1.00 0.00 C ATOM 924 C ASP A 70 0.147 -11.166 8.113 1.00 0.00 C ATOM 925 O ASP A 70 0.857 -11.950 8.746 1.00 0.00 O ATOM 926 CB ASP A 70 -1.830 -12.722 8.093 1.00 0.00 C ATOM 927 CG ASP A 70 -2.119 -13.343 9.447 1.00 0.00 C ATOM 928 OD1 ASP A 70 -2.988 -12.810 10.171 1.00 0.00 O ATOM 929 OD2 ASP A 70 -1.476 -14.359 9.784 1.00 0.00 O ATOM 0 H ASP A 70 -2.032 -10.835 6.251 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.676 -10.867 9.181 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.723 -12.780 7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.054 -13.298 7.590 1.00 0.00 H new ATOM 934 N THR A 71 0.655 -10.209 7.331 1.00 0.00 N ATOM 935 CA THR A 71 2.101 -10.033 7.173 1.00 0.00 C ATOM 936 C THR A 71 2.610 -8.876 8.035 1.00 0.00 C ATOM 937 O THR A 71 1.883 -7.911 8.283 1.00 0.00 O ATOM 938 CB THR A 71 2.459 -9.788 5.701 1.00 0.00 C ATOM 939 OG1 THR A 71 2.045 -8.497 5.278 1.00 0.00 O ATOM 940 CG2 THR A 71 1.844 -10.798 4.754 1.00 0.00 C ATOM 0 H THR A 71 0.089 -9.547 6.800 1.00 0.00 H new ATOM 0 HA THR A 71 2.586 -10.951 7.505 1.00 0.00 H new ATOM 0 HB THR A 71 3.544 -9.884 5.659 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.125 -8.335 5.574 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.139 -10.564 3.731 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.192 -11.798 5.012 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.758 -10.760 4.836 1.00 0.00 H new ATOM 948 N LYS A 72 3.863 -8.977 8.483 1.00 0.00 N ATOM 949 CA LYS A 72 4.478 -7.940 9.318 1.00 0.00 C ATOM 950 C LYS A 72 4.868 -6.712 8.489 1.00 0.00 C ATOM 951 O LYS A 72 4.989 -6.791 7.266 1.00 0.00 O ATOM 952 CB LYS A 72 5.714 -8.494 10.033 1.00 0.00 C ATOM 953 CG LYS A 72 5.398 -9.225 11.330 1.00 0.00 C ATOM 954 CD LYS A 72 5.202 -10.717 11.100 1.00 0.00 C ATOM 955 CE LYS A 72 5.568 -11.528 12.334 1.00 0.00 C ATOM 956 NZ LYS A 72 4.460 -11.564 13.333 1.00 0.00 N ATOM 0 H LYS A 72 4.474 -9.768 8.281 1.00 0.00 H new ATOM 0 HA LYS A 72 3.739 -7.633 10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.236 -9.175 9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.397 -7.672 10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.208 -9.070 12.042 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.497 -8.804 11.775 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.163 -10.911 10.832 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.814 -11.039 10.258 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.820 -12.546 12.036 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.458 -11.102 12.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.856 -11.512 14.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.825 -10.755 13.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.925 -12.450 13.227 1.00 0.00 H new ATOM 970 N HIS A 73 5.067 -5.577 9.169 1.00 0.00 N ATOM 971 CA HIS A 73 5.449 -4.328 8.499 1.00 0.00 C ATOM 972 C HIS A 73 6.704 -4.519 7.646 1.00 0.00 C ATOM 973 O HIS A 73 6.727 -4.138 6.475 1.00 0.00 O ATOM 974 CB HIS A 73 5.682 -3.215 9.526 1.00 0.00 C ATOM 975 CG HIS A 73 5.886 -1.859 8.917 1.00 0.00 C ATOM 976 ND1 HIS A 73 7.046 -1.129 9.076 1.00 0.00 N ATOM 977 CD2 HIS A 73 5.066 -1.096 8.154 1.00 0.00 C ATOM 978 CE1 HIS A 73 6.930 0.023 8.441 1.00 0.00 C ATOM 979 NE2 HIS A 73 5.740 0.067 7.872 1.00 0.00 N ATOM 0 H HIS A 73 4.970 -5.497 10.181 1.00 0.00 H new ATOM 0 HA HIS A 73 4.627 -4.040 7.843 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.828 -3.174 10.203 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.555 -3.467 10.129 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.069 -1.354 7.829 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.681 0.798 8.395 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.379 0.840 7.313 1.00 0.00 H new ATOM 988 N LYS A 74 7.744 -5.114 8.239 1.00 0.00 N ATOM 989 CA LYS A 74 8.998 -5.359 7.523 1.00 0.00 C ATOM 990 C LYS A 74 8.767 -6.300 6.341 1.00 0.00 C ATOM 991 O LYS A 74 9.357 -6.122 5.275 1.00 0.00 O ATOM 992 CB LYS A 74 10.061 -5.943 8.462 1.00 0.00 C ATOM 993 CG LYS A 74 10.565 -4.962 9.513 1.00 0.00 C ATOM 994 CD LYS A 74 11.138 -3.700 8.882 1.00 0.00 C ATOM 995 CE LYS A 74 12.346 -3.190 9.654 1.00 0.00 C ATOM 996 NZ LYS A 74 13.199 -2.288 8.830 1.00 0.00 N ATOM 0 H LYS A 74 7.742 -5.433 9.208 1.00 0.00 H new ATOM 0 HA LYS A 74 9.360 -4.403 7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.647 -6.817 8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.906 -6.288 7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.747 -4.694 10.182 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.330 -5.443 10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.424 -3.905 7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.371 -2.926 8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.009 -2.657 10.543 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.940 -4.037 9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.010 -1.965 9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.543 -2.803 7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.640 -1.466 8.524 1.00 0.00 H new ATOM 1010 N GLU A 75 7.892 -7.291 6.533 1.00 0.00 N ATOM 1011 CA GLU A 75 7.568 -8.248 5.476 1.00 0.00 C ATOM 1012 C GLU A 75 6.922 -7.541 4.285 1.00 0.00 C ATOM 1013 O GLU A 75 7.170 -7.898 3.133 1.00 0.00 O ATOM 1014 CB GLU A 75 6.619 -9.327 6.001 1.00 0.00 C ATOM 1015 CG GLU A 75 7.319 -10.465 6.721 1.00 0.00 C ATOM 1016 CD GLU A 75 6.406 -11.654 6.941 1.00 0.00 C ATOM 1017 OE1 GLU A 75 5.703 -11.678 7.973 1.00 0.00 O ATOM 1018 OE2 GLU A 75 6.391 -12.558 6.079 1.00 0.00 O ATOM 0 H GLU A 75 7.397 -7.450 7.410 1.00 0.00 H new ATOM 0 HA GLU A 75 8.498 -8.714 5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.902 -8.867 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.050 -9.734 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.187 -10.779 6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.689 -10.111 7.683 1.00 0.00 H new ATOM 1025 N ALA A 76 6.090 -6.538 4.574 1.00 0.00 N ATOM 1026 CA ALA A 76 5.403 -5.784 3.529 1.00 0.00 C ATOM 1027 C ALA A 76 6.393 -5.039 2.640 1.00 0.00 C ATOM 1028 O ALA A 76 6.178 -4.914 1.435 1.00 0.00 O ATOM 1029 CB ALA A 76 4.420 -4.802 4.148 1.00 0.00 C ATOM 0 H ALA A 76 5.877 -6.231 5.523 1.00 0.00 H new ATOM 0 HA ALA A 76 4.858 -6.495 2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.915 -4.246 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.683 -5.348 4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.957 -4.107 4.793 1.00 0.00 H new ATOM 1035 N VAL A 77 7.481 -4.555 3.238 1.00 0.00 N ATOM 1036 CA VAL A 77 8.507 -3.831 2.493 1.00 0.00 C ATOM 1037 C VAL A 77 9.140 -4.732 1.434 1.00 0.00 C ATOM 1038 O VAL A 77 9.357 -4.309 0.297 1.00 0.00 O ATOM 1039 CB VAL A 77 9.609 -3.280 3.426 1.00 0.00 C ATOM 1040 CG1 VAL A 77 10.558 -2.367 2.659 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.988 -2.544 4.606 1.00 0.00 C ATOM 0 H VAL A 77 7.673 -4.652 4.235 1.00 0.00 H new ATOM 0 HA VAL A 77 8.016 -2.988 2.007 1.00 0.00 H new ATOM 0 HB VAL A 77 10.186 -4.121 3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.326 -1.990 3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.029 -2.927 1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.999 -1.529 2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.778 -2.162 5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.385 -1.713 4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.356 -3.229 5.171 1.00 0.00 H new ATOM 1051 N THR A 78 9.425 -5.977 1.813 1.00 0.00 N ATOM 1052 CA THR A 78 10.025 -6.939 0.894 1.00 0.00 C ATOM 1053 C THR A 78 9.057 -7.287 -0.236 1.00 0.00 C ATOM 1054 O THR A 78 9.433 -7.265 -1.410 1.00 0.00 O ATOM 1055 CB THR A 78 10.441 -8.214 1.638 1.00 0.00 C ATOM 1056 OG1 THR A 78 10.782 -7.929 2.985 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.625 -8.912 1.004 1.00 0.00 C ATOM 0 H THR A 78 9.250 -6.341 2.749 1.00 0.00 H new ATOM 0 HA THR A 78 10.914 -6.479 0.463 1.00 0.00 H new ATOM 0 HB THR A 78 9.574 -8.873 1.585 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.042 -8.758 3.439 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.870 -9.806 1.577 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.376 -9.193 -0.019 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.483 -8.240 0.997 1.00 0.00 H new ATOM 1065 N ILE A 79 7.810 -7.602 0.123 1.00 0.00 N ATOM 1066 CA ILE A 79 6.790 -7.949 -0.867 1.00 0.00 C ATOM 1067 C ILE A 79 6.533 -6.784 -1.824 1.00 0.00 C ATOM 1068 O ILE A 79 6.403 -6.985 -3.032 1.00 0.00 O ATOM 1069 CB ILE A 79 5.454 -8.366 -0.204 1.00 0.00 C ATOM 1070 CG1 ILE A 79 5.677 -9.496 0.810 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.447 -8.795 -1.264 1.00 0.00 C ATOM 1072 CD1 ILE A 79 4.643 -9.531 1.917 1.00 0.00 C ATOM 0 H ILE A 79 7.484 -7.624 1.089 1.00 0.00 H new ATOM 0 HA ILE A 79 7.179 -8.800 -1.426 1.00 0.00 H new ATOM 0 HB ILE A 79 5.054 -7.504 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.667 -10.451 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.667 -9.386 1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.513 -9.085 -0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.261 -7.965 -1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.845 -9.642 -1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.864 -10.355 2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.668 -8.591 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.652 -9.673 1.485 1.00 0.00 H new ATOM 1084 N LEU A 80 6.466 -5.567 -1.278 1.00 0.00 N ATOM 1085 CA LEU A 80 6.232 -4.374 -2.091 1.00 0.00 C ATOM 1086 C LEU A 80 7.320 -4.219 -3.153 1.00 0.00 C ATOM 1087 O LEU A 80 7.035 -3.836 -4.289 1.00 0.00 O ATOM 1088 CB LEU A 80 6.187 -3.120 -1.212 1.00 0.00 C ATOM 1089 CG LEU A 80 4.800 -2.491 -1.045 1.00 0.00 C ATOM 1090 CD1 LEU A 80 4.439 -2.378 0.429 1.00 0.00 C ATOM 1091 CD2 LEU A 80 4.750 -1.126 -1.722 1.00 0.00 C ATOM 0 H LEU A 80 6.570 -5.384 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 80 5.269 -4.493 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.575 -3.373 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.858 -2.374 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 80 4.066 -3.137 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.451 -1.929 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.434 -3.371 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.174 -1.753 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.758 -0.693 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.494 -0.469 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.962 -1.239 -2.785 1.00 0.00 H new ATOM 1103 N SER A 81 8.565 -4.521 -2.777 1.00 0.00 N ATOM 1104 CA SER A 81 9.690 -4.418 -3.704 1.00 0.00 C ATOM 1105 C SER A 81 9.561 -5.436 -4.838 1.00 0.00 C ATOM 1106 O SER A 81 9.966 -5.168 -5.969 1.00 0.00 O ATOM 1107 CB SER A 81 11.019 -4.620 -2.971 1.00 0.00 C ATOM 1108 OG SER A 81 11.993 -3.693 -3.422 1.00 0.00 O ATOM 0 H SER A 81 8.817 -4.837 -1.841 1.00 0.00 H new ATOM 0 HA SER A 81 9.674 -3.416 -4.133 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.868 -4.502 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.377 -5.637 -3.133 1.00 0.00 H new ATOM 0 HG SER A 81 12.833 -3.840 -2.939 1.00 0.00 H new ATOM 1114 N GLN A 82 8.987 -6.603 -4.529 1.00 0.00 N ATOM 1115 CA GLN A 82 8.799 -7.657 -5.528 1.00 0.00 C ATOM 1116 C GLN A 82 7.819 -7.215 -6.620 1.00 0.00 C ATOM 1117 O GLN A 82 7.893 -7.693 -7.753 1.00 0.00 O ATOM 1118 CB GLN A 82 8.292 -8.946 -4.872 1.00 0.00 C ATOM 1119 CG GLN A 82 9.178 -9.459 -3.747 1.00 0.00 C ATOM 1120 CD GLN A 82 9.028 -10.953 -3.519 1.00 0.00 C ATOM 1121 OE1 GLN A 82 7.944 -11.513 -3.690 1.00 0.00 O ATOM 1122 NE2 GLN A 82 10.115 -11.608 -3.126 1.00 0.00 N ATOM 0 H GLN A 82 8.646 -6.840 -3.598 1.00 0.00 H new ATOM 0 HA GLN A 82 9.769 -7.850 -5.986 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.290 -8.772 -4.480 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.206 -9.720 -5.635 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.219 -9.233 -3.978 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.934 -8.929 -2.827 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.994 -11.106 -2.996 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.071 -12.612 -2.954 1.00 0.00 H new ATOM 1131 N GLN A 83 6.903 -6.303 -6.273 1.00 0.00 N ATOM 1132 CA GLN A 83 5.915 -5.803 -7.229 1.00 0.00 C ATOM 1133 C GLN A 83 6.595 -5.008 -8.348 1.00 0.00 C ATOM 1134 O GLN A 83 6.874 -3.815 -8.195 1.00 0.00 O ATOM 1135 CB GLN A 83 4.870 -4.924 -6.527 1.00 0.00 C ATOM 1136 CG GLN A 83 4.289 -5.528 -5.253 1.00 0.00 C ATOM 1137 CD GLN A 83 3.712 -6.915 -5.464 1.00 0.00 C ATOM 1138 OE1 GLN A 83 2.917 -7.136 -6.377 1.00 0.00 O ATOM 1139 NE2 GLN A 83 4.109 -7.858 -4.616 1.00 0.00 N ATOM 0 H GLN A 83 6.828 -5.899 -5.340 1.00 0.00 H new ATOM 0 HA GLN A 83 5.411 -6.665 -7.666 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.325 -3.964 -6.284 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.056 -4.723 -7.223 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.068 -5.577 -4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.509 -4.871 -4.869 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.770 -7.630 -3.873 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.753 -8.809 -4.708 1.00 0.00 H new ATOM 1148 N ARG A 84 6.865 -5.683 -9.467 1.00 0.00 N ATOM 1149 CA ARG A 84 7.519 -5.057 -10.614 1.00 0.00 C ATOM 1150 C ARG A 84 6.497 -4.647 -11.675 1.00 0.00 C ATOM 1151 O ARG A 84 5.504 -5.343 -11.894 1.00 0.00 O ATOM 1152 CB ARG A 84 8.539 -6.024 -11.222 1.00 0.00 C ATOM 1153 CG ARG A 84 9.843 -5.362 -11.642 1.00 0.00 C ATOM 1154 CD ARG A 84 10.643 -6.251 -12.584 1.00 0.00 C ATOM 1155 NE ARG A 84 10.965 -7.549 -11.986 1.00 0.00 N ATOM 1156 CZ ARG A 84 11.595 -8.532 -12.633 1.00 0.00 C ATOM 1157 NH1 ARG A 84 11.987 -8.369 -13.894 1.00 0.00 N ATOM 1158 NH2 ARG A 84 11.839 -9.685 -12.017 1.00 0.00 N ATOM 0 H ARG A 84 6.639 -6.668 -9.602 1.00 0.00 H new ATOM 0 HA ARG A 84 8.029 -4.159 -10.267 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.758 -6.808 -10.497 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.093 -6.508 -12.091 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.629 -4.412 -12.131 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.439 -5.138 -10.758 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.076 -6.407 -13.502 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.566 -5.743 -12.863 1.00 0.00 H new ATOM 0 HE ARG A 84 10.691 -7.711 -11.017 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.807 -7.487 -14.374 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.468 -9.126 -14.380 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.545 -9.819 -11.050 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.320 -10.436 -12.512 1.00 0.00 H new ATOM 1172 N GLY A 85 6.756 -3.516 -12.336 1.00 0.00 N ATOM 1173 CA GLY A 85 5.859 -3.031 -13.373 1.00 0.00 C ATOM 1174 C GLY A 85 4.483 -2.673 -12.841 1.00 0.00 C ATOM 1175 O GLY A 85 4.327 -1.679 -12.127 1.00 0.00 O ATOM 0 H GLY A 85 7.573 -2.928 -12.170 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.300 -2.154 -13.847 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.758 -3.794 -14.145 1.00 0.00 H new ATOM 1179 N GLU A 86 3.486 -3.488 -13.186 1.00 0.00 N ATOM 1180 CA GLU A 86 2.117 -3.259 -12.736 1.00 0.00 C ATOM 1181 C GLU A 86 1.933 -3.755 -11.306 1.00 0.00 C ATOM 1182 O GLU A 86 2.397 -4.841 -10.952 1.00 0.00 O ATOM 1183 CB GLU A 86 1.116 -3.958 -13.662 1.00 0.00 C ATOM 1184 CG GLU A 86 -0.323 -3.503 -13.457 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.124 -3.480 -14.745 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -0.755 -2.716 -15.662 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -2.124 -4.223 -14.835 1.00 0.00 O ATOM 0 H GLU A 86 3.603 -4.312 -13.776 1.00 0.00 H new ATOM 0 HA GLU A 86 1.929 -2.186 -12.765 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.402 -3.775 -14.698 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.175 -5.034 -13.501 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.811 -4.167 -12.744 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.324 -2.506 -13.016 1.00 0.00 H new ATOM 1194 N ILE A 87 1.260 -2.950 -10.487 1.00 0.00 N ATOM 1195 CA ILE A 87 1.022 -3.305 -9.092 1.00 0.00 C ATOM 1196 C ILE A 87 -0.411 -2.981 -8.674 1.00 0.00 C ATOM 1197 O ILE A 87 -0.851 -1.833 -8.759 1.00 0.00 O ATOM 1198 CB ILE A 87 2.003 -2.572 -8.149 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.420 -2.573 -8.737 1.00 0.00 C ATOM 1200 CG2 ILE A 87 1.995 -3.215 -6.768 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.420 -1.801 -7.905 1.00 0.00 C ATOM 0 H ILE A 87 0.871 -2.049 -10.766 1.00 0.00 H new ATOM 0 HA ILE A 87 1.184 -4.380 -9.008 1.00 0.00 H new ATOM 0 HB ILE A 87 1.676 -1.537 -8.049 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.762 -3.603 -8.838 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.389 -2.148 -9.740 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.691 -2.687 -6.117 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.991 -3.160 -6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.297 -4.259 -6.851 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.400 -1.845 -8.381 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.101 -0.762 -7.825 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.480 -2.240 -6.909 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.130 -4.003 -8.210 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.510 -3.836 -7.763 1.00 0.00 C ATOM 1215 C GLU A 88 -2.560 -3.641 -6.250 1.00 0.00 C ATOM 1216 O GLU A 88 -2.085 -4.491 -5.497 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.348 -5.054 -8.166 1.00 0.00 C ATOM 1218 CG GLU A 88 -4.809 -4.961 -7.748 1.00 0.00 C ATOM 1219 CD GLU A 88 -5.523 -6.301 -7.778 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -4.963 -7.290 -7.254 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -6.647 -6.360 -8.321 1.00 0.00 O ATOM 0 H GLU A 88 -0.777 -4.957 -8.134 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.925 -2.949 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.297 -5.177 -9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.909 -5.948 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.867 -4.547 -6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.326 -4.265 -8.409 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.133 -2.521 -5.808 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.230 -2.234 -4.380 1.00 0.00 C ATOM 1230 C PHE A 89 -4.680 -2.284 -3.900 1.00 0.00 C ATOM 1231 O PHE A 89 -5.562 -1.642 -4.475 1.00 0.00 O ATOM 1232 CB PHE A 89 -2.623 -0.860 -4.081 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.337 -0.927 -3.309 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -1.351 -1.036 -1.928 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -0.116 -0.883 -3.963 1.00 0.00 C ATOM 1236 CE1 PHE A 89 -0.171 -1.099 -1.214 1.00 0.00 C ATOM 1237 CE2 PHE A 89 1.068 -0.946 -3.254 1.00 0.00 C ATOM 1238 CZ PHE A 89 1.040 -1.054 -1.877 1.00 0.00 C ATOM 0 H PHE A 89 -3.533 -1.804 -6.414 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.672 -3.000 -3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.446 -0.338 -5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.345 -0.268 -3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.295 -1.072 -1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.090 -0.798 -5.039 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.195 -1.183 -0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.013 -0.911 -3.775 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.964 -1.103 -1.320 1.00 0.00 H new ATOM 1248 N GLU A 90 -4.911 -3.045 -2.832 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.244 -3.186 -2.254 1.00 0.00 C ATOM 1250 C GLU A 90 -6.263 -2.642 -0.827 1.00 0.00 C ATOM 1251 O GLU A 90 -5.588 -3.175 0.058 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.671 -4.657 -2.268 1.00 0.00 C ATOM 1253 CG GLU A 90 -8.179 -4.863 -2.267 1.00 0.00 C ATOM 1254 CD GLU A 90 -8.585 -6.302 -2.539 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -7.852 -7.006 -3.265 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -9.643 -6.725 -2.030 1.00 0.00 O ATOM 0 H GLU A 90 -4.187 -3.576 -2.348 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.949 -2.611 -2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.249 -5.139 -3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.246 -5.157 -1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.581 -4.555 -1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.628 -4.216 -3.021 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.034 -1.575 -0.616 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.141 -0.944 0.700 1.00 0.00 C ATOM 1265 C VAL A 91 -8.590 -0.565 1.024 1.00 0.00 C ATOM 1266 O VAL A 91 -9.468 -0.639 0.162 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.262 0.324 0.792 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -4.782 -0.034 0.766 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.602 1.291 -0.333 1.00 0.00 C ATOM 0 H VAL A 91 -7.595 -1.128 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.790 -1.679 1.425 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.472 0.814 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.186 0.876 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.549 -0.682 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.550 -0.553 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.974 2.178 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.426 0.808 -1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.650 1.581 -0.259 1.00 0.00 H new ATOM 1279 N VAL A 92 -8.827 -0.153 2.272 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.163 0.247 2.716 1.00 0.00 C ATOM 1281 C VAL A 92 -10.103 1.533 3.547 1.00 0.00 C ATOM 1282 O VAL A 92 -9.218 1.694 4.390 1.00 0.00 O ATOM 1283 CB VAL A 92 -10.841 -0.877 3.540 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -10.023 -1.219 4.779 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -12.263 -0.487 3.925 1.00 0.00 C ATOM 0 H VAL A 92 -8.109 -0.088 2.994 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.760 0.432 1.823 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.890 -1.767 2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -10.523 -2.010 5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.031 -1.557 4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.929 -0.334 5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.717 -1.292 4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -12.241 0.423 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -12.849 -0.312 3.023 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.049 2.447 3.302 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.101 3.719 4.028 1.00 0.00 C ATOM 1297 C TYR A 93 -11.467 3.493 5.496 1.00 0.00 C ATOM 1298 O TYR A 93 -12.534 2.957 5.804 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.117 4.669 3.377 1.00 0.00 C ATOM 1300 CG TYR A 93 -11.691 6.126 3.368 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -10.994 6.682 4.437 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -11.995 6.949 2.288 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -10.610 8.009 4.427 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -11.614 8.278 2.273 1.00 0.00 C ATOM 1305 CZ TYR A 93 -10.924 8.803 3.344 1.00 0.00 C ATOM 1306 OH TYR A 93 -10.542 10.125 3.330 1.00 0.00 O ATOM 0 H TYR A 93 -11.787 2.329 2.608 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.111 4.173 3.982 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.292 4.347 2.350 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.067 4.583 3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.749 6.065 5.289 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.538 6.543 1.447 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.066 8.423 5.263 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.856 8.902 1.425 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.840 10.543 2.495 1.00 0.00 H new ATOM 1316 N VAL A 94 -10.572 3.901 6.396 1.00 0.00 N ATOM 1317 CA VAL A 94 -10.793 3.740 7.830 1.00 0.00 C ATOM 1318 C VAL A 94 -11.009 5.091 8.510 1.00 0.00 C ATOM 1319 O VAL A 94 -10.178 5.994 8.394 1.00 0.00 O ATOM 1320 CB VAL A 94 -9.604 3.020 8.502 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -9.932 2.664 9.946 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -9.214 1.774 7.715 1.00 0.00 C ATOM 0 H VAL A 94 -9.686 4.346 6.155 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.690 3.132 7.947 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.753 3.702 8.506 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.079 2.158 10.399 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.152 3.574 10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.800 2.005 9.970 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.374 1.282 8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.062 1.090 7.673 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.927 2.058 6.703 1.00 0.00 H new ATOM 1332 N ALA A 95 -12.130 5.220 9.220 1.00 0.00 N ATOM 1333 CA ALA A 95 -12.460 6.456 9.922 1.00 0.00 C ATOM 1334 C ALA A 95 -12.898 6.170 11.357 1.00 0.00 C ATOM 1335 O ALA A 95 -13.972 5.558 11.542 1.00 0.00 O ATOM 1336 CB ALA A 95 -13.546 7.212 9.169 1.00 0.00 C ATOM 0 H ALA A 95 -12.825 4.481 9.323 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.565 7.077 9.964 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.785 8.133 9.702 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.193 7.454 8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.439 6.592 9.099 1.00 0.00 H new