USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=11 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 Single : A 12 LYS NZ :NH3+ 161:sc= -0.0564 (180deg=-0.337) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0631) USER MOD Single : A 20 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.48) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,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=-0.024) USER MOD Single : A 46 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.088) USER MOD Single : A 51 CYS SG : rot 88:sc= 0.139 USER MOD Single : A 55 HIS : no HD1:sc= -4.68 X(o=-4.7,f=-5) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0.45) USER MOD Single : A 67 ASN : amide:sc= 0.969 K(o=0.97,f=-0.052) USER MOD Single : A 71 THR OG1 : rot -47:sc= 0.512 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.066) USER MOD Single : A 74 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000758) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0596 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0415 X(o=-0.041,f=-0.49) USER MOD Single : A 83 GLN : amide:sc= -1.04! C(o=-1!,f=-5.5!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -16.769 -1.247 3.088 1.00 0.00 N ATOM 2 CA PRO A 9 -16.578 -0.566 1.778 1.00 0.00 C ATOM 3 C PRO A 9 -15.211 -0.883 1.166 1.00 0.00 C ATOM 4 O PRO A 9 -14.221 -0.204 1.445 1.00 0.00 O ATOM 5 CB PRO A 9 -16.725 0.936 2.016 1.00 0.00 C ATOM 6 CG PRO A 9 -17.144 1.046 3.444 1.00 0.00 C ATOM 7 CD PRO A 9 -16.666 -0.211 4.129 1.00 0.00 C ATOM 0 HA PRO A 9 -17.324 -0.922 1.068 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.787 1.461 1.836 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.468 1.373 1.349 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.709 1.931 3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.227 1.144 3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.642 -0.105 4.487 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.283 -0.453 4.995 1.00 0.00 H new ATOM 17 N ILE A 10 -15.167 -1.921 0.331 1.00 0.00 N ATOM 18 CA ILE A 10 -13.925 -2.333 -0.322 1.00 0.00 C ATOM 19 C ILE A 10 -13.616 -1.447 -1.532 1.00 0.00 C ATOM 20 O ILE A 10 -14.459 -1.267 -2.414 1.00 0.00 O ATOM 21 CB ILE A 10 -13.981 -3.817 -0.762 1.00 0.00 C ATOM 22 CG1 ILE A 10 -12.620 -4.273 -1.301 1.00 0.00 C ATOM 23 CG2 ILE A 10 -15.069 -4.036 -1.807 1.00 0.00 C ATOM 24 CD1 ILE A 10 -11.820 -5.095 -0.312 1.00 0.00 C ATOM 0 H ILE A 10 -15.977 -2.492 0.091 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.127 -2.219 0.411 1.00 0.00 H new ATOM 0 HB ILE A 10 -14.225 -4.418 0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.775 -4.860 -2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.039 -3.396 -1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.087 -5.086 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -16.037 -3.759 -1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -14.862 -3.420 -2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.870 -5.382 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -11.633 -4.504 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.381 -5.991 -0.046 1.00 0.00 H new ATOM 36 N ARG A 11 -12.403 -0.896 -1.565 1.00 0.00 N ATOM 37 CA ARG A 11 -11.981 -0.030 -2.662 1.00 0.00 C ATOM 38 C ARG A 11 -10.808 -0.642 -3.426 1.00 0.00 C ATOM 39 O ARG A 11 -9.800 -1.028 -2.831 1.00 0.00 O ATOM 40 CB ARG A 11 -11.598 1.355 -2.132 1.00 0.00 C ATOM 41 CG ARG A 11 -12.259 2.497 -2.888 1.00 0.00 C ATOM 42 CD ARG A 11 -12.232 3.791 -2.088 1.00 0.00 C ATOM 43 NE ARG A 11 -13.524 4.476 -2.111 1.00 0.00 N ATOM 44 CZ ARG A 11 -14.040 5.068 -3.193 1.00 0.00 C ATOM 45 NH1 ARG A 11 -13.375 5.065 -4.347 1.00 0.00 N ATOM 46 NH2 ARG A 11 -15.226 5.664 -3.120 1.00 0.00 N ATOM 0 H ARG A 11 -11.696 -1.035 -0.843 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.820 0.073 -3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.871 1.421 -1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.516 1.471 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.749 2.647 -3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.291 2.232 -3.117 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.955 3.574 -1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.464 4.451 -2.492 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.066 4.504 -1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.465 4.609 -4.410 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.776 5.519 -5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.741 5.669 -2.239 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.621 6.116 -3.945 1.00 0.00 H new ATOM 60 N LYS A 12 -10.952 -0.725 -4.748 1.00 0.00 N ATOM 61 CA LYS A 12 -9.911 -1.288 -5.606 1.00 0.00 C ATOM 62 C LYS A 12 -9.098 -0.178 -6.273 1.00 0.00 C ATOM 63 O LYS A 12 -9.639 0.618 -7.043 1.00 0.00 O ATOM 64 CB LYS A 12 -10.536 -2.192 -6.675 1.00 0.00 C ATOM 65 CG LYS A 12 -11.396 -3.312 -6.105 1.00 0.00 C ATOM 66 CD LYS A 12 -10.583 -4.258 -5.234 1.00 0.00 C ATOM 67 CE LYS A 12 -11.380 -5.498 -4.859 1.00 0.00 C ATOM 68 NZ LYS A 12 -11.725 -6.325 -6.050 1.00 0.00 N ATOM 0 H LYS A 12 -11.782 -0.408 -5.249 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.241 -1.882 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.145 -1.582 -7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.741 -2.629 -7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.208 -2.884 -5.518 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.853 -3.871 -6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.677 -4.553 -5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.268 -3.740 -4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.804 -6.099 -4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.295 -5.199 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.971 -7.288 -5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.536 -5.901 -6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.909 -6.364 -6.694 1.00 0.00 H new ATOM 82 N VAL A 13 -7.800 -0.129 -5.970 1.00 0.00 N ATOM 83 CA VAL A 13 -6.915 0.889 -6.542 1.00 0.00 C ATOM 84 C VAL A 13 -5.680 0.258 -7.188 1.00 0.00 C ATOM 85 O VAL A 13 -4.979 -0.538 -6.564 1.00 0.00 O ATOM 86 CB VAL A 13 -6.458 1.908 -5.473 1.00 0.00 C ATOM 87 CG1 VAL A 13 -7.585 2.873 -5.135 1.00 0.00 C ATOM 88 CG2 VAL A 13 -5.965 1.199 -4.219 1.00 0.00 C ATOM 0 H VAL A 13 -7.339 -0.779 -5.334 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.493 1.408 -7.306 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.627 2.480 -5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.243 3.582 -4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.882 3.414 -6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.438 2.315 -4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.650 1.939 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.770 0.594 -3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.122 0.556 -4.472 1.00 0.00 H new ATOM 98 N LEU A 14 -5.411 0.627 -8.441 1.00 0.00 N ATOM 99 CA LEU A 14 -4.255 0.098 -9.161 1.00 0.00 C ATOM 100 C LEU A 14 -3.143 1.140 -9.256 1.00 0.00 C ATOM 101 O LEU A 14 -3.337 2.218 -9.820 1.00 0.00 O ATOM 102 CB LEU A 14 -4.662 -0.361 -10.564 1.00 0.00 C ATOM 103 CG LEU A 14 -3.714 -1.373 -11.215 1.00 0.00 C ATOM 104 CD1 LEU A 14 -4.205 -2.794 -10.977 1.00 0.00 C ATOM 105 CD2 LEU A 14 -3.578 -1.094 -12.705 1.00 0.00 C ATOM 0 H LEU A 14 -5.976 1.287 -8.975 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.877 -0.758 -8.603 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.658 -0.801 -10.511 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.734 0.514 -11.210 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.731 -1.270 -10.756 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.519 -3.499 -11.447 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.249 -2.989 -9.906 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.199 -2.913 -11.408 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.901 -1.822 -13.151 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.556 -1.169 -13.180 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.179 -0.090 -12.852 1.00 0.00 H new ATOM 117 N LEU A 15 -1.976 0.805 -8.707 1.00 0.00 N ATOM 118 CA LEU A 15 -0.824 1.703 -8.731 1.00 0.00 C ATOM 119 C LEU A 15 0.246 1.182 -9.687 1.00 0.00 C ATOM 120 O LEU A 15 0.541 -0.014 -9.709 1.00 0.00 O ATOM 121 CB LEU A 15 -0.240 1.856 -7.322 1.00 0.00 C ATOM 122 CG LEU A 15 0.426 3.205 -7.034 1.00 0.00 C ATOM 123 CD1 LEU A 15 -0.623 4.287 -6.819 1.00 0.00 C ATOM 124 CD2 LEU A 15 1.343 3.098 -5.824 1.00 0.00 C ATOM 0 H LEU A 15 -1.804 -0.085 -8.239 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.158 2.679 -9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.039 1.701 -6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.493 1.066 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 15 1.029 3.483 -7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.129 5.237 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.237 4.381 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.255 4.018 -5.972 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.808 4.065 -5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.762 2.797 -4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.117 2.355 -6.018 1.00 0.00 H new ATOM 136 N LEU A 16 0.827 2.083 -10.476 1.00 0.00 N ATOM 137 CA LEU A 16 1.864 1.706 -11.432 1.00 0.00 C ATOM 138 C LEU A 16 3.219 2.272 -11.016 1.00 0.00 C ATOM 139 O LEU A 16 3.413 3.489 -10.989 1.00 0.00 O ATOM 140 CB LEU A 16 1.496 2.193 -12.837 1.00 0.00 C ATOM 141 CG LEU A 16 1.932 1.269 -13.977 1.00 0.00 C ATOM 142 CD1 LEU A 16 0.853 1.193 -15.047 1.00 0.00 C ATOM 143 CD2 LEU A 16 3.249 1.743 -14.576 1.00 0.00 C ATOM 0 H LEU A 16 0.598 3.077 -10.472 1.00 0.00 H new ATOM 0 HA LEU A 16 1.936 0.618 -11.444 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.415 2.323 -12.888 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.943 3.175 -12.994 1.00 0.00 H new ATOM 0 HG LEU A 16 2.081 0.269 -13.570 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.182 0.532 -15.849 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.066 0.804 -14.610 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.670 2.189 -15.450 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.543 1.074 -15.385 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.128 2.753 -14.967 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.020 1.742 -13.806 1.00 0.00 H new ATOM 155 N LYS A 17 4.153 1.378 -10.690 1.00 0.00 N ATOM 156 CA LYS A 17 5.492 1.783 -10.272 1.00 0.00 C ATOM 157 C LYS A 17 6.550 1.263 -11.243 1.00 0.00 C ATOM 158 O LYS A 17 6.545 0.087 -11.613 1.00 0.00 O ATOM 159 CB LYS A 17 5.783 1.272 -8.857 1.00 0.00 C ATOM 160 CG LYS A 17 7.135 1.705 -8.308 1.00 0.00 C ATOM 161 CD LYS A 17 8.095 0.529 -8.190 1.00 0.00 C ATOM 162 CE LYS A 17 8.242 0.067 -6.747 1.00 0.00 C ATOM 163 NZ LYS A 17 9.024 1.036 -5.928 1.00 0.00 N ATOM 0 H LYS A 17 4.005 0.369 -10.708 1.00 0.00 H new ATOM 0 HA LYS A 17 5.531 2.872 -10.274 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.000 1.625 -8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.735 0.183 -8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.567 2.464 -8.960 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.000 2.165 -7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.735 -0.298 -8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.071 0.815 -8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.254 -0.066 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.734 -0.906 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.319 0.582 -5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.866 1.338 -6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.434 1.865 -5.713 1.00 0.00 H new ATOM 177 N GLU A 18 7.458 2.150 -11.642 1.00 0.00 N ATOM 178 CA GLU A 18 8.534 1.798 -12.564 1.00 0.00 C ATOM 179 C GLU A 18 9.855 1.635 -11.815 1.00 0.00 C ATOM 180 O GLU A 18 9.956 1.985 -10.639 1.00 0.00 O ATOM 181 CB GLU A 18 8.678 2.876 -13.642 1.00 0.00 C ATOM 182 CG GLU A 18 8.992 2.321 -15.022 1.00 0.00 C ATOM 183 CD GLU A 18 7.784 2.322 -15.939 1.00 0.00 C ATOM 184 OE1 GLU A 18 6.857 1.518 -15.704 1.00 0.00 O ATOM 185 OE2 GLU A 18 7.767 3.127 -16.894 1.00 0.00 O ATOM 0 H GLU A 18 7.469 3.124 -11.339 1.00 0.00 H new ATOM 0 HA GLU A 18 8.283 0.849 -13.037 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.754 3.452 -13.693 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.469 3.567 -13.349 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.788 2.912 -15.475 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.368 1.303 -14.923 1.00 0.00 H new ATOM 192 N ASP A 19 10.867 1.110 -12.505 1.00 0.00 N ATOM 193 CA ASP A 19 12.188 0.912 -11.904 1.00 0.00 C ATOM 194 C ASP A 19 12.749 2.231 -11.372 1.00 0.00 C ATOM 195 O ASP A 19 13.379 2.265 -10.314 1.00 0.00 O ATOM 196 CB ASP A 19 13.158 0.305 -12.924 1.00 0.00 C ATOM 197 CG ASP A 19 12.660 -1.013 -13.489 1.00 0.00 C ATOM 198 OD1 ASP A 19 12.446 -1.957 -12.697 1.00 0.00 O ATOM 199 OD2 ASP A 19 12.483 -1.100 -14.722 1.00 0.00 O ATOM 0 H ASP A 19 10.799 0.814 -13.479 1.00 0.00 H new ATOM 0 HA ASP A 19 12.076 0.221 -11.069 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.311 1.011 -13.740 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.128 0.150 -12.451 1.00 0.00 H new ATOM 204 N HIS A 20 12.511 3.313 -12.113 1.00 0.00 N ATOM 205 CA HIS A 20 12.987 4.640 -11.723 1.00 0.00 C ATOM 206 C HIS A 20 12.059 5.296 -10.693 1.00 0.00 C ATOM 207 O HIS A 20 12.496 6.143 -9.913 1.00 0.00 O ATOM 208 CB HIS A 20 13.124 5.543 -12.957 1.00 0.00 C ATOM 209 CG HIS A 20 11.826 5.820 -13.656 1.00 0.00 C ATOM 210 ND1 HIS A 20 11.098 6.976 -13.467 1.00 0.00 N ATOM 211 CD2 HIS A 20 11.121 5.078 -14.544 1.00 0.00 C ATOM 212 CE1 HIS A 20 10.002 6.931 -14.205 1.00 0.00 C ATOM 213 NE2 HIS A 20 9.992 5.790 -14.869 1.00 0.00 N ATOM 0 H HIS A 20 11.990 3.296 -12.990 1.00 0.00 H new ATOM 0 HA HIS A 20 13.965 4.514 -11.259 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.571 6.490 -12.654 1.00 0.00 H new ATOM 0 HB3 HIS A 20 13.812 5.076 -13.662 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.396 4.106 -14.926 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.243 7.698 -14.256 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.265 5.487 -15.517 1.00 0.00 H new ATOM 222 N GLU A 21 10.779 4.909 -10.698 1.00 0.00 N ATOM 223 CA GLU A 21 9.806 5.475 -9.766 1.00 0.00 C ATOM 224 C GLU A 21 9.756 4.687 -8.457 1.00 0.00 C ATOM 225 O GLU A 21 10.062 3.493 -8.423 1.00 0.00 O ATOM 226 CB GLU A 21 8.414 5.521 -10.406 1.00 0.00 C ATOM 227 CG GLU A 21 8.020 6.907 -10.902 1.00 0.00 C ATOM 228 CD GLU A 21 7.547 7.831 -9.791 1.00 0.00 C ATOM 229 OE1 GLU A 21 7.977 7.647 -8.631 1.00 0.00 O ATOM 230 OE2 GLU A 21 6.749 8.745 -10.084 1.00 0.00 O ATOM 0 H GLU A 21 10.397 4.210 -11.335 1.00 0.00 H new ATOM 0 HA GLU A 21 10.126 6.491 -9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.384 4.822 -11.242 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.677 5.181 -9.679 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.874 7.362 -11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.228 6.808 -11.645 1.00 0.00 H new ATOM 237 N GLY A 22 9.365 5.371 -7.380 1.00 0.00 N ATOM 238 CA GLY A 22 9.278 4.735 -6.077 1.00 0.00 C ATOM 239 C GLY A 22 7.846 4.503 -5.630 1.00 0.00 C ATOM 240 O GLY A 22 6.956 4.293 -6.457 1.00 0.00 O ATOM 0 H GLY A 22 9.107 6.358 -7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.803 3.780 -6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.788 5.356 -5.340 1.00 0.00 H new ATOM 244 N LEU A 23 7.626 4.531 -4.314 1.00 0.00 N ATOM 245 CA LEU A 23 6.293 4.314 -3.750 1.00 0.00 C ATOM 246 C LEU A 23 5.429 5.570 -3.873 1.00 0.00 C ATOM 247 O LEU A 23 4.427 5.573 -4.590 1.00 0.00 O ATOM 248 CB LEU A 23 6.398 3.889 -2.279 1.00 0.00 C ATOM 249 CG LEU A 23 5.691 2.577 -1.933 1.00 0.00 C ATOM 250 CD1 LEU A 23 6.511 1.386 -2.409 1.00 0.00 C ATOM 251 CD2 LEU A 23 5.436 2.489 -0.435 1.00 0.00 C ATOM 0 H LEU A 23 8.353 4.702 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 23 5.815 3.516 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.452 3.796 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.984 4.682 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 23 4.730 2.557 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.992 0.462 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.641 1.443 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.487 1.400 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.932 1.550 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.385 2.531 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.807 3.323 -0.123 1.00 0.00 H new ATOM 263 N GLY A 24 5.823 6.632 -3.169 1.00 0.00 N ATOM 264 CA GLY A 24 5.073 7.878 -3.212 1.00 0.00 C ATOM 265 C GLY A 24 4.084 8.033 -2.062 1.00 0.00 C ATOM 266 O GLY A 24 3.328 9.003 -2.028 1.00 0.00 O ATOM 0 H GLY A 24 6.648 6.651 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.772 8.714 -3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.532 7.934 -4.156 1.00 0.00 H new ATOM 270 N ILE A 25 4.081 7.083 -1.121 1.00 0.00 N ATOM 271 CA ILE A 25 3.169 7.138 0.024 1.00 0.00 C ATOM 272 C ILE A 25 3.848 6.642 1.300 1.00 0.00 C ATOM 273 O ILE A 25 4.756 5.811 1.247 1.00 0.00 O ATOM 274 CB ILE A 25 1.894 6.299 -0.218 1.00 0.00 C ATOM 275 CG1 ILE A 25 2.257 4.897 -0.717 1.00 0.00 C ATOM 276 CG2 ILE A 25 0.973 6.998 -1.208 1.00 0.00 C ATOM 277 CD1 ILE A 25 1.153 3.880 -0.521 1.00 0.00 C ATOM 0 H ILE A 25 4.697 6.270 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 25 2.889 8.185 0.143 1.00 0.00 H new ATOM 0 HB ILE A 25 1.365 6.199 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.506 4.951 -1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.151 4.555 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.081 6.392 -1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.685 7.972 -0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.493 7.132 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.480 2.911 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.919 3.797 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.264 4.199 -1.065 1.00 0.00 H new ATOM 289 N SER A 26 3.393 7.155 2.444 1.00 0.00 N ATOM 290 CA SER A 26 3.945 6.763 3.739 1.00 0.00 C ATOM 291 C SER A 26 2.927 5.951 4.539 1.00 0.00 C ATOM 292 O SER A 26 1.742 6.291 4.584 1.00 0.00 O ATOM 293 CB SER A 26 4.372 8.002 4.531 1.00 0.00 C ATOM 294 OG SER A 26 5.781 8.050 4.679 1.00 0.00 O ATOM 0 H SER A 26 2.643 7.844 2.499 1.00 0.00 H new ATOM 0 HA SER A 26 4.820 6.138 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.026 8.901 4.021 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.900 7.991 5.513 1.00 0.00 H new ATOM 0 HG SER A 26 6.030 8.851 5.186 1.00 0.00 H new ATOM 300 N ILE A 27 3.401 4.874 5.166 1.00 0.00 N ATOM 301 CA ILE A 27 2.538 4.003 5.962 1.00 0.00 C ATOM 302 C ILE A 27 3.066 3.846 7.388 1.00 0.00 C ATOM 303 O ILE A 27 4.250 4.066 7.650 1.00 0.00 O ATOM 304 CB ILE A 27 2.406 2.604 5.319 1.00 0.00 C ATOM 305 CG1 ILE A 27 3.790 1.997 5.062 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.607 2.686 4.024 1.00 0.00 C ATOM 307 CD1 ILE A 27 3.744 0.594 4.496 1.00 0.00 C ATOM 0 H ILE A 27 4.379 4.584 5.138 1.00 0.00 H new ATOM 0 HA ILE A 27 1.558 4.478 5.994 1.00 0.00 H new ATOM 0 HB ILE A 27 1.871 1.955 6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.336 2.640 4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.350 1.984 5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.524 1.692 3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.611 3.074 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.115 3.351 3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.760 0.231 4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.227 -0.063 5.195 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.212 0.603 3.544 1.00 0.00 H new ATOM 319 N THR A 28 2.177 3.461 8.304 1.00 0.00 N ATOM 320 CA THR A 28 2.551 3.271 9.704 1.00 0.00 C ATOM 321 C THR A 28 1.806 2.083 10.318 1.00 0.00 C ATOM 322 O THR A 28 0.689 1.757 9.907 1.00 0.00 O ATOM 323 CB THR A 28 2.275 4.548 10.508 1.00 0.00 C ATOM 324 OG1 THR A 28 2.704 4.399 11.851 1.00 0.00 O ATOM 325 CG2 THR A 28 0.813 4.947 10.534 1.00 0.00 C ATOM 0 H THR A 28 1.195 3.275 8.101 1.00 0.00 H new ATOM 0 HA THR A 28 3.619 3.055 9.742 1.00 0.00 H new ATOM 0 HB THR A 28 2.835 5.331 9.997 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.521 5.224 12.346 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.695 5.858 11.121 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.466 5.123 9.516 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.225 4.147 10.984 1.00 0.00 H new ATOM 333 N GLY A 29 2.437 1.440 11.304 1.00 0.00 N ATOM 334 CA GLY A 29 1.832 0.293 11.965 1.00 0.00 C ATOM 335 C GLY A 29 2.691 -0.957 11.867 1.00 0.00 C ATOM 336 O GLY A 29 3.921 -0.870 11.836 1.00 0.00 O ATOM 0 H GLY A 29 3.359 1.696 11.656 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.662 0.531 13.015 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.856 0.095 11.521 1.00 0.00 H new ATOM 340 N GLY A 30 2.040 -2.121 11.818 1.00 0.00 N ATOM 341 CA GLY A 30 2.764 -3.379 11.721 1.00 0.00 C ATOM 342 C GLY A 30 1.965 -4.553 12.258 1.00 0.00 C ATOM 343 O GLY A 30 1.727 -4.647 13.463 1.00 0.00 O ATOM 0 H GLY A 30 1.025 -2.214 11.844 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.023 -3.566 10.679 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.701 -3.299 12.272 1.00 0.00 H new ATOM 347 N LYS A 31 1.556 -5.454 11.361 1.00 0.00 N ATOM 348 CA LYS A 31 0.783 -6.635 11.751 1.00 0.00 C ATOM 349 C LYS A 31 1.545 -7.483 12.771 1.00 0.00 C ATOM 350 O LYS A 31 0.936 -8.142 13.614 1.00 0.00 O ATOM 351 CB LYS A 31 0.438 -7.484 10.524 1.00 0.00 C ATOM 352 CG LYS A 31 -0.700 -6.921 9.682 1.00 0.00 C ATOM 353 CD LYS A 31 -1.979 -6.738 10.492 1.00 0.00 C ATOM 354 CE LYS A 31 -2.441 -8.040 11.133 1.00 0.00 C ATOM 355 NZ LYS A 31 -3.676 -7.856 11.947 1.00 0.00 N ATOM 0 H LYS A 31 1.747 -5.388 10.361 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.141 -6.286 12.213 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.326 -7.579 9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.171 -8.488 10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.398 -5.962 9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.895 -7.590 8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.812 -5.991 11.268 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.767 -6.354 9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.627 -8.781 10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.646 -8.435 11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.955 -8.767 12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.493 -7.169 12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.443 -7.504 11.339 1.00 0.00 H new ATOM 369 N GLU A 32 2.880 -7.456 12.692 1.00 0.00 N ATOM 370 CA GLU A 32 3.723 -8.216 13.617 1.00 0.00 C ATOM 371 C GLU A 32 3.457 -7.803 15.068 1.00 0.00 C ATOM 372 O GLU A 32 3.566 -8.619 15.983 1.00 0.00 O ATOM 373 CB GLU A 32 5.202 -8.001 13.277 1.00 0.00 C ATOM 374 CG GLU A 32 6.137 -9.014 13.922 1.00 0.00 C ATOM 375 CD GLU A 32 6.547 -8.629 15.333 1.00 0.00 C ATOM 376 OE1 GLU A 32 6.783 -7.427 15.581 1.00 0.00 O ATOM 377 OE2 GLU A 32 6.636 -9.533 16.189 1.00 0.00 O ATOM 0 H GLU A 32 3.398 -6.917 11.998 1.00 0.00 H new ATOM 0 HA GLU A 32 3.478 -9.273 13.511 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.326 -8.045 12.195 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.495 -6.999 13.591 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.648 -9.988 13.945 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.030 -9.119 13.306 1.00 0.00 H new ATOM 384 N HIS A 33 3.098 -6.534 15.267 1.00 0.00 N ATOM 385 CA HIS A 33 2.807 -6.013 16.602 1.00 0.00 C ATOM 386 C HIS A 33 1.348 -6.266 16.990 1.00 0.00 C ATOM 387 O HIS A 33 1.014 -6.318 18.174 1.00 0.00 O ATOM 388 CB HIS A 33 3.105 -4.512 16.666 1.00 0.00 C ATOM 389 CG HIS A 33 4.461 -4.137 16.148 1.00 0.00 C ATOM 390 ND1 HIS A 33 5.628 -4.725 16.592 1.00 0.00 N ATOM 391 CD2 HIS A 33 4.834 -3.222 15.220 1.00 0.00 C ATOM 392 CE1 HIS A 33 6.657 -4.188 15.961 1.00 0.00 C ATOM 393 NE2 HIS A 33 6.203 -3.275 15.123 1.00 0.00 N ATOM 0 H HIS A 33 3.002 -5.847 14.519 1.00 0.00 H new ATOM 0 HA HIS A 33 3.448 -6.538 17.310 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.348 -3.977 16.093 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.017 -4.178 17.700 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.177 -2.572 14.661 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.694 -4.452 16.106 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.776 -2.702 14.504 1.00 0.00 H new ATOM 402 N GLY A 34 0.484 -6.418 15.984 1.00 0.00 N ATOM 403 CA GLY A 34 -0.928 -6.662 16.235 1.00 0.00 C ATOM 404 C GLY A 34 -1.824 -5.541 15.730 1.00 0.00 C ATOM 405 O GLY A 34 -2.916 -5.331 16.262 1.00 0.00 O ATOM 0 H GLY A 34 0.740 -6.376 14.997 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.220 -7.597 15.756 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.084 -6.790 17.306 1.00 0.00 H new ATOM 409 N VAL A 35 -1.372 -4.824 14.698 1.00 0.00 N ATOM 410 CA VAL A 35 -2.147 -3.725 14.123 1.00 0.00 C ATOM 411 C VAL A 35 -1.993 -3.684 12.601 1.00 0.00 C ATOM 412 O VAL A 35 -0.894 -3.872 12.078 1.00 0.00 O ATOM 413 CB VAL A 35 -1.727 -2.357 14.704 1.00 0.00 C ATOM 414 CG1 VAL A 35 -2.191 -2.217 16.146 1.00 0.00 C ATOM 415 CG2 VAL A 35 -0.220 -2.163 14.602 1.00 0.00 C ATOM 0 H VAL A 35 -0.473 -4.986 14.244 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.189 -3.911 14.383 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.209 -1.578 14.114 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.884 -1.246 16.534 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.277 -2.298 16.188 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.745 -3.007 16.750 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.051 -1.192 15.018 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.287 -2.951 15.159 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.082 -2.207 13.556 1.00 0.00 H new ATOM 425 N PRO A 36 -3.096 -3.431 11.867 1.00 0.00 N ATOM 426 CA PRO A 36 -3.070 -3.364 10.400 1.00 0.00 C ATOM 427 C PRO A 36 -2.318 -2.135 9.888 1.00 0.00 C ATOM 428 O PRO A 36 -2.204 -1.129 10.590 1.00 0.00 O ATOM 429 CB PRO A 36 -4.551 -3.288 10.020 1.00 0.00 C ATOM 430 CG PRO A 36 -5.222 -2.702 11.215 1.00 0.00 C ATOM 431 CD PRO A 36 -4.448 -3.190 12.408 1.00 0.00 C ATOM 0 HA PRO A 36 -2.550 -4.216 9.962 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.701 -2.666 9.137 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.950 -4.275 9.786 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.220 -1.613 11.168 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -6.264 -3.017 11.271 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.434 -2.449 13.208 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.882 -4.099 12.823 1.00 0.00 H new ATOM 439 N ILE A 37 -1.809 -2.223 8.659 1.00 0.00 N ATOM 440 CA ILE A 37 -1.071 -1.115 8.060 1.00 0.00 C ATOM 441 C ILE A 37 -2.027 -0.111 7.421 1.00 0.00 C ATOM 442 O ILE A 37 -2.855 -0.475 6.583 1.00 0.00 O ATOM 443 CB ILE A 37 -0.064 -1.599 6.992 1.00 0.00 C ATOM 444 CG1 ILE A 37 0.757 -2.786 7.510 1.00 0.00 C ATOM 445 CG2 ILE A 37 0.856 -0.459 6.576 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.576 -2.472 8.746 1.00 0.00 C ATOM 0 H ILE A 37 -1.894 -3.046 8.063 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.517 -0.637 8.867 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.627 -1.931 6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.082 -3.612 7.733 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.426 -3.125 6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.559 -0.815 5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.262 0.355 6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.406 -0.100 7.446 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.129 -3.360 9.052 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.277 -1.667 8.523 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.912 -2.162 9.553 1.00 0.00 H new ATOM 458 N LEU A 38 -1.908 1.153 7.824 1.00 0.00 N ATOM 459 CA LEU A 38 -2.761 2.210 7.292 1.00 0.00 C ATOM 460 C LEU A 38 -1.926 3.365 6.740 1.00 0.00 C ATOM 461 O LEU A 38 -0.862 3.686 7.275 1.00 0.00 O ATOM 462 CB LEU A 38 -3.712 2.720 8.379 1.00 0.00 C ATOM 463 CG LEU A 38 -5.041 1.964 8.484 1.00 0.00 C ATOM 464 CD1 LEU A 38 -5.241 1.423 9.893 1.00 0.00 C ATOM 465 CD2 LEU A 38 -6.201 2.865 8.085 1.00 0.00 C ATOM 0 H LEU A 38 -1.229 1.468 8.517 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.347 1.792 6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.203 2.665 9.341 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.924 3.772 8.191 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.011 1.119 7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.190 0.890 9.947 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.427 0.741 10.140 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.249 2.250 10.603 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.136 2.311 8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.234 3.731 8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.065 3.199 7.057 1.00 0.00 H new ATOM 477 N ILE A 39 -2.417 3.985 5.666 1.00 0.00 N ATOM 478 CA ILE A 39 -1.724 5.105 5.034 1.00 0.00 C ATOM 479 C ILE A 39 -2.079 6.421 5.721 1.00 0.00 C ATOM 480 O ILE A 39 -3.250 6.806 5.771 1.00 0.00 O ATOM 481 CB ILE A 39 -2.072 5.219 3.532 1.00 0.00 C ATOM 482 CG1 ILE A 39 -1.913 3.863 2.836 1.00 0.00 C ATOM 483 CG2 ILE A 39 -1.197 6.269 2.860 1.00 0.00 C ATOM 484 CD1 ILE A 39 -2.607 3.786 1.492 1.00 0.00 C ATOM 0 H ILE A 39 -3.295 3.728 5.215 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.656 4.911 5.136 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.113 5.529 3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.851 3.656 2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.309 3.082 3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.456 6.336 1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.360 7.236 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.149 5.987 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.452 2.798 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.675 3.961 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.195 4.544 0.826 1.00 0.00 H new ATOM 496 N SER A 40 -1.062 7.104 6.246 1.00 0.00 N ATOM 497 CA SER A 40 -1.262 8.380 6.933 1.00 0.00 C ATOM 498 C SER A 40 -0.713 9.550 6.113 1.00 0.00 C ATOM 499 O SER A 40 -1.299 10.634 6.102 1.00 0.00 O ATOM 500 CB SER A 40 -0.597 8.353 8.313 1.00 0.00 C ATOM 501 OG SER A 40 0.532 7.495 8.324 1.00 0.00 O ATOM 0 H SER A 40 -0.091 6.795 6.209 1.00 0.00 H new ATOM 0 HA SER A 40 -2.336 8.525 7.054 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.293 9.362 8.592 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.317 8.019 9.060 1.00 0.00 H new ATOM 0 HG SER A 40 0.937 7.499 9.216 1.00 0.00 H new ATOM 507 N GLU A 41 0.415 9.330 5.432 1.00 0.00 N ATOM 508 CA GLU A 41 1.038 10.373 4.618 1.00 0.00 C ATOM 509 C GLU A 41 1.080 9.972 3.143 1.00 0.00 C ATOM 510 O GLU A 41 1.175 8.788 2.814 1.00 0.00 O ATOM 511 CB GLU A 41 2.456 10.656 5.118 1.00 0.00 C ATOM 512 CG GLU A 41 2.545 11.820 6.094 1.00 0.00 C ATOM 513 CD GLU A 41 3.634 11.626 7.132 1.00 0.00 C ATOM 514 OE1 GLU A 41 4.825 11.651 6.756 1.00 0.00 O ATOM 515 OE2 GLU A 41 3.295 11.445 8.320 1.00 0.00 O ATOM 0 H GLU A 41 0.913 8.440 5.429 1.00 0.00 H new ATOM 0 HA GLU A 41 0.435 11.276 4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.846 9.760 5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.098 10.863 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.735 12.740 5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.586 11.942 6.597 1.00 0.00 H new ATOM 522 N ILE A 42 1.016 10.970 2.260 1.00 0.00 N ATOM 523 CA ILE A 42 1.054 10.731 0.818 1.00 0.00 C ATOM 524 C ILE A 42 2.017 11.703 0.132 1.00 0.00 C ATOM 525 O ILE A 42 1.777 12.912 0.102 1.00 0.00 O ATOM 526 CB ILE A 42 -0.350 10.864 0.181 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.387 10.068 0.984 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.325 10.395 -1.269 1.00 0.00 C ATOM 529 CD1 ILE A 42 -2.819 10.411 0.635 1.00 0.00 C ATOM 0 H ILE A 42 0.937 11.953 2.520 1.00 0.00 H new ATOM 0 HA ILE A 42 1.405 9.710 0.672 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.636 11.916 0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.226 9.003 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.228 10.249 2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.321 10.496 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.380 11.003 -1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.016 9.350 -1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.496 9.809 1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.998 11.468 0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.996 10.203 -0.420 1.00 0.00 H new ATOM 541 N HIS A 43 3.109 11.166 -0.413 1.00 0.00 N ATOM 542 CA HIS A 43 4.115 11.979 -1.093 1.00 0.00 C ATOM 543 C HIS A 43 3.606 12.474 -2.448 1.00 0.00 C ATOM 544 O HIS A 43 3.154 11.682 -3.277 1.00 0.00 O ATOM 545 CB HIS A 43 5.407 11.175 -1.286 1.00 0.00 C ATOM 546 CG HIS A 43 6.514 11.583 -0.364 1.00 0.00 C ATOM 547 ND1 HIS A 43 7.214 12.763 -0.504 1.00 0.00 N ATOM 548 CD2 HIS A 43 7.046 10.959 0.715 1.00 0.00 C ATOM 549 CE1 HIS A 43 8.128 12.846 0.447 1.00 0.00 C ATOM 550 NE2 HIS A 43 8.046 11.765 1.200 1.00 0.00 N ATOM 0 H HIS A 43 3.319 10.168 -0.396 1.00 0.00 H new ATOM 0 HA HIS A 43 4.320 12.847 -0.467 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.192 10.117 -1.135 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.744 11.288 -2.316 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.740 10.005 1.118 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.824 13.660 0.585 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.631 11.562 2.011 1.00 0.00 H new ATOM 559 N PRO A 44 3.675 13.801 -2.690 1.00 0.00 N ATOM 560 CA PRO A 44 3.221 14.405 -3.949 1.00 0.00 C ATOM 561 C PRO A 44 4.200 14.179 -5.101 1.00 0.00 C ATOM 562 O PRO A 44 5.346 13.780 -4.885 1.00 0.00 O ATOM 563 CB PRO A 44 3.136 15.892 -3.608 1.00 0.00 C ATOM 564 CG PRO A 44 4.166 16.091 -2.550 1.00 0.00 C ATOM 565 CD PRO A 44 4.200 14.815 -1.752 1.00 0.00 C ATOM 0 HA PRO A 44 2.282 13.970 -4.292 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.339 16.512 -4.481 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.142 16.161 -3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.141 16.301 -2.990 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.913 16.940 -1.915 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.212 14.573 -1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.585 14.887 -0.855 1.00 0.00 H new ATOM 573 N GLY A 45 3.738 14.438 -6.324 1.00 0.00 N ATOM 574 CA GLY A 45 4.577 14.258 -7.499 1.00 0.00 C ATOM 575 C GLY A 45 4.896 12.798 -7.774 1.00 0.00 C ATOM 576 O GLY A 45 5.891 12.489 -8.431 1.00 0.00 O ATOM 0 H GLY A 45 2.794 14.770 -6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.076 14.686 -8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.507 14.810 -7.364 1.00 0.00 H new ATOM 580 N GLN A 46 4.045 11.903 -7.278 1.00 0.00 N ATOM 581 CA GLN A 46 4.225 10.470 -7.476 1.00 0.00 C ATOM 582 C GLN A 46 2.917 9.829 -7.944 1.00 0.00 C ATOM 583 O GLN A 46 1.875 10.482 -7.969 1.00 0.00 O ATOM 584 CB GLN A 46 4.693 9.817 -6.172 1.00 0.00 C ATOM 585 CG GLN A 46 6.169 9.454 -6.174 1.00 0.00 C ATOM 586 CD GLN A 46 7.069 10.674 -6.129 1.00 0.00 C ATOM 587 OE1 GLN A 46 7.844 10.923 -7.052 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.971 11.444 -5.051 1.00 0.00 N ATOM 0 H GLN A 46 3.219 12.149 -6.733 1.00 0.00 H new ATOM 0 HA GLN A 46 4.983 10.315 -8.244 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.495 10.496 -5.343 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.105 8.916 -5.994 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.384 8.817 -5.316 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.395 8.873 -7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.315 11.201 -4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.552 12.278 -4.966 1.00 0.00 H new ATOM 597 N PRO A 47 2.946 8.537 -8.316 1.00 0.00 N ATOM 598 CA PRO A 47 1.746 7.819 -8.771 1.00 0.00 C ATOM 599 C PRO A 47 0.592 7.875 -7.766 1.00 0.00 C ATOM 600 O PRO A 47 -0.563 7.671 -8.137 1.00 0.00 O ATOM 601 CB PRO A 47 2.229 6.377 -8.915 1.00 0.00 C ATOM 602 CG PRO A 47 3.696 6.489 -9.132 1.00 0.00 C ATOM 603 CD PRO A 47 4.141 7.673 -8.321 1.00 0.00 C ATOM 0 HA PRO A 47 1.349 8.259 -9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.004 5.793 -8.022 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.742 5.878 -9.753 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.209 5.582 -8.813 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.925 6.630 -10.188 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.435 7.384 -7.312 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.999 8.172 -8.772 1.00 0.00 H new ATOM 611 N ALA A 48 0.911 8.128 -6.492 1.00 0.00 N ATOM 612 CA ALA A 48 -0.104 8.183 -5.439 1.00 0.00 C ATOM 613 C ALA A 48 -1.152 9.271 -5.697 1.00 0.00 C ATOM 614 O ALA A 48 -2.352 9.013 -5.590 1.00 0.00 O ATOM 615 CB ALA A 48 0.561 8.408 -4.090 1.00 0.00 C ATOM 0 H ALA A 48 1.863 8.297 -6.167 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.626 7.226 -5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.200 8.448 -3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.250 7.589 -3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.111 9.349 -4.108 1.00 0.00 H new ATOM 621 N ASP A 49 -0.704 10.480 -6.049 1.00 0.00 N ATOM 622 CA ASP A 49 -1.630 11.581 -6.327 1.00 0.00 C ATOM 623 C ASP A 49 -2.364 11.345 -7.646 1.00 0.00 C ATOM 624 O ASP A 49 -3.555 11.636 -7.763 1.00 0.00 O ATOM 625 CB ASP A 49 -0.903 12.933 -6.349 1.00 0.00 C ATOM 626 CG ASP A 49 0.281 12.962 -7.297 1.00 0.00 C ATOM 627 OD1 ASP A 49 0.065 13.116 -8.519 1.00 0.00 O ATOM 628 OD2 ASP A 49 1.426 12.839 -6.815 1.00 0.00 O ATOM 0 H ASP A 49 0.283 10.719 -6.147 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.363 11.611 -5.521 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.609 13.713 -6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.559 13.169 -5.342 1.00 0.00 H new ATOM 633 N ARG A 50 -1.647 10.800 -8.632 1.00 0.00 N ATOM 634 CA ARG A 50 -2.234 10.508 -9.938 1.00 0.00 C ATOM 635 C ARG A 50 -3.282 9.395 -9.833 1.00 0.00 C ATOM 636 O ARG A 50 -4.218 9.342 -10.630 1.00 0.00 O ATOM 637 CB ARG A 50 -1.149 10.102 -10.946 1.00 0.00 C ATOM 638 CG ARG A 50 -0.073 11.158 -11.152 1.00 0.00 C ATOM 639 CD ARG A 50 0.294 11.305 -12.623 1.00 0.00 C ATOM 640 NE ARG A 50 1.245 10.281 -13.062 1.00 0.00 N ATOM 641 CZ ARG A 50 1.771 10.225 -14.290 1.00 0.00 C ATOM 642 NH1 ARG A 50 1.440 11.128 -15.208 1.00 0.00 N ATOM 643 NH2 ARG A 50 2.632 9.261 -14.599 1.00 0.00 N ATOM 0 H ARG A 50 -0.661 10.553 -8.549 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.722 11.417 -10.290 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.678 9.179 -10.607 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.620 9.886 -11.905 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.423 12.115 -10.766 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.815 10.890 -10.580 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.610 11.242 -13.229 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.723 12.293 -12.792 1.00 0.00 H new ATOM 0 HE ARG A 50 1.523 9.566 -12.389 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.780 11.871 -14.978 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.846 11.078 -16.142 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.891 8.565 -13.900 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.034 9.217 -15.535 1.00 0.00 H new ATOM 657 N CYS A 51 -3.121 8.509 -8.843 1.00 0.00 N ATOM 658 CA CYS A 51 -4.060 7.405 -8.645 1.00 0.00 C ATOM 659 C CYS A 51 -5.413 7.909 -8.135 1.00 0.00 C ATOM 660 O CYS A 51 -6.447 7.286 -8.387 1.00 0.00 O ATOM 661 CB CYS A 51 -3.485 6.386 -7.654 1.00 0.00 C ATOM 662 SG CYS A 51 -4.274 4.760 -7.730 1.00 0.00 S ATOM 0 H CYS A 51 -2.353 8.537 -8.172 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.213 6.925 -9.612 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.418 6.270 -7.846 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.586 6.781 -6.643 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.680 4.031 -8.628 1.00 0.00 H new ATOM 668 N GLY A 52 -5.404 9.039 -7.422 1.00 0.00 N ATOM 669 CA GLY A 52 -6.637 9.603 -6.894 1.00 0.00 C ATOM 670 C GLY A 52 -7.131 8.877 -5.652 1.00 0.00 C ATOM 671 O GLY A 52 -7.252 9.477 -4.583 1.00 0.00 O ATOM 0 H GLY A 52 -4.563 9.572 -7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.478 10.655 -6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.408 9.564 -7.663 1.00 0.00 H new ATOM 675 N GLY A 53 -7.416 7.578 -5.798 1.00 0.00 N ATOM 676 CA GLY A 53 -7.899 6.775 -4.681 1.00 0.00 C ATOM 677 C GLY A 53 -6.989 6.827 -3.461 1.00 0.00 C ATOM 678 O GLY A 53 -7.450 6.633 -2.335 1.00 0.00 O ATOM 0 H GLY A 53 -7.320 7.067 -6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.894 7.120 -4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.001 5.739 -5.005 1.00 0.00 H new ATOM 682 N LEU A 54 -5.697 7.091 -3.680 1.00 0.00 N ATOM 683 CA LEU A 54 -4.733 7.173 -2.586 1.00 0.00 C ATOM 684 C LEU A 54 -5.059 8.356 -1.672 1.00 0.00 C ATOM 685 O LEU A 54 -4.623 9.484 -1.913 1.00 0.00 O ATOM 686 CB LEU A 54 -3.307 7.301 -3.138 1.00 0.00 C ATOM 687 CG LEU A 54 -2.235 6.516 -2.373 1.00 0.00 C ATOM 688 CD1 LEU A 54 -2.255 6.879 -0.895 1.00 0.00 C ATOM 689 CD2 LEU A 54 -2.431 5.017 -2.562 1.00 0.00 C ATOM 0 H LEU A 54 -5.298 7.251 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.797 6.256 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.306 6.968 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.029 8.355 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.259 6.787 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.487 6.311 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.060 7.945 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.232 6.641 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.661 4.477 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.414 4.729 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.359 4.771 -3.622 1.00 0.00 H new ATOM 701 N HIS A 55 -5.846 8.087 -0.631 1.00 0.00 N ATOM 702 CA HIS A 55 -6.258 9.118 0.321 1.00 0.00 C ATOM 703 C HIS A 55 -5.774 8.794 1.734 1.00 0.00 C ATOM 704 O HIS A 55 -5.511 7.634 2.059 1.00 0.00 O ATOM 705 CB HIS A 55 -7.785 9.262 0.320 1.00 0.00 C ATOM 706 CG HIS A 55 -8.512 7.992 0.654 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.406 7.360 1.877 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.350 7.228 -0.087 1.00 0.00 C ATOM 709 CE1 HIS A 55 -9.141 6.265 1.870 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.723 6.159 0.691 1.00 0.00 N ATOM 0 H HIS A 55 -6.213 7.158 -0.425 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.804 10.059 0.009 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.069 10.032 1.038 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.108 9.607 -0.662 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.666 7.423 -1.101 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.248 5.572 2.691 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.348 5.406 0.404 1.00 0.00 H new ATOM 719 N VAL A 56 -5.673 9.825 2.573 1.00 0.00 N ATOM 720 CA VAL A 56 -5.236 9.651 3.952 1.00 0.00 C ATOM 721 C VAL A 56 -6.228 8.788 4.735 1.00 0.00 C ATOM 722 O VAL A 56 -7.444 8.932 4.584 1.00 0.00 O ATOM 723 CB VAL A 56 -5.071 11.007 4.669 1.00 0.00 C ATOM 724 CG1 VAL A 56 -3.803 11.711 4.206 1.00 0.00 C ATOM 725 CG2 VAL A 56 -6.291 11.896 4.454 1.00 0.00 C ATOM 0 H VAL A 56 -5.889 10.789 2.318 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.268 9.151 3.918 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.984 10.811 5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.707 12.665 4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.938 11.087 4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.856 11.886 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.146 12.845 4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.424 12.080 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.177 11.399 4.849 1.00 0.00 H new ATOM 735 N GLY A 57 -5.701 7.889 5.565 1.00 0.00 N ATOM 736 CA GLY A 57 -6.548 7.010 6.357 1.00 0.00 C ATOM 737 C GLY A 57 -7.044 5.807 5.571 1.00 0.00 C ATOM 738 O GLY A 57 -8.230 5.472 5.622 1.00 0.00 O ATOM 0 H GLY A 57 -4.700 7.753 5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.992 6.665 7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.404 7.574 6.728 1.00 0.00 H new ATOM 742 N ASP A 58 -6.133 5.158 4.842 1.00 0.00 N ATOM 743 CA ASP A 58 -6.481 3.985 4.040 1.00 0.00 C ATOM 744 C ASP A 58 -5.836 2.721 4.611 1.00 0.00 C ATOM 745 O ASP A 58 -4.625 2.686 4.837 1.00 0.00 O ATOM 746 CB ASP A 58 -6.038 4.186 2.585 1.00 0.00 C ATOM 747 CG ASP A 58 -7.152 3.938 1.579 1.00 0.00 C ATOM 748 OD1 ASP A 58 -8.120 3.220 1.916 1.00 0.00 O ATOM 749 OD2 ASP A 58 -7.054 4.461 0.449 1.00 0.00 O ATOM 0 H ASP A 58 -5.150 5.425 4.791 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.564 3.863 4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.667 5.203 2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.207 3.515 2.369 1.00 0.00 H new ATOM 754 N ALA A 59 -6.647 1.686 4.840 1.00 0.00 N ATOM 755 CA ALA A 59 -6.145 0.422 5.384 1.00 0.00 C ATOM 756 C ALA A 59 -5.829 -0.573 4.268 1.00 0.00 C ATOM 757 O ALA A 59 -6.685 -0.874 3.435 1.00 0.00 O ATOM 758 CB ALA A 59 -7.152 -0.176 6.358 1.00 0.00 C ATOM 0 H ALA A 59 -7.651 1.698 4.658 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.220 0.632 5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.763 -1.115 6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.322 0.520 7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.093 -0.362 5.840 1.00 0.00 H new ATOM 764 N ILE A 60 -4.595 -1.081 4.258 1.00 0.00 N ATOM 765 CA ILE A 60 -4.162 -2.042 3.242 1.00 0.00 C ATOM 766 C ILE A 60 -4.645 -3.455 3.567 1.00 0.00 C ATOM 767 O ILE A 60 -4.568 -3.900 4.714 1.00 0.00 O ATOM 768 CB ILE A 60 -2.624 -2.070 3.097 1.00 0.00 C ATOM 769 CG1 ILE A 60 -2.068 -0.655 2.912 1.00 0.00 C ATOM 770 CG2 ILE A 60 -2.216 -2.959 1.930 1.00 0.00 C ATOM 771 CD1 ILE A 60 -0.900 -0.345 3.822 1.00 0.00 C ATOM 0 H ILE A 60 -3.878 -0.843 4.943 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.605 -1.711 2.303 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.203 -2.484 4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.755 -0.528 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.864 0.067 3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.130 -2.968 1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.574 -3.974 2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.652 -2.573 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.556 0.673 3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.214 -0.440 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.088 -1.044 3.623 1.00 0.00 H new ATOM 783 N LEU A 61 -5.131 -4.156 2.543 1.00 0.00 N ATOM 784 CA LEU A 61 -5.618 -5.524 2.705 1.00 0.00 C ATOM 785 C LEU A 61 -4.766 -6.507 1.899 1.00 0.00 C ATOM 786 O LEU A 61 -4.282 -7.505 2.438 1.00 0.00 O ATOM 787 CB LEU A 61 -7.087 -5.624 2.279 1.00 0.00 C ATOM 788 CG LEU A 61 -8.074 -4.834 3.145 1.00 0.00 C ATOM 789 CD1 LEU A 61 -9.475 -4.894 2.551 1.00 0.00 C ATOM 790 CD2 LEU A 61 -8.077 -5.363 4.574 1.00 0.00 C ATOM 0 H LEU A 61 -5.198 -3.797 1.591 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.539 -5.787 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.174 -5.277 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.380 -6.674 2.288 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.753 -3.792 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.161 -4.327 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.464 -4.466 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.804 -5.932 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.784 -4.789 5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.371 -6.413 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.078 -5.266 5.000 1.00 0.00 H new ATOM 802 N ALA A 62 -4.584 -6.220 0.606 1.00 0.00 N ATOM 803 CA ALA A 62 -3.789 -7.082 -0.269 1.00 0.00 C ATOM 804 C ALA A 62 -3.059 -6.273 -1.342 1.00 0.00 C ATOM 805 O ALA A 62 -3.481 -5.170 -1.698 1.00 0.00 O ATOM 806 CB ALA A 62 -4.675 -8.141 -0.912 1.00 0.00 C ATOM 0 H ALA A 62 -4.976 -5.399 0.145 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.034 -7.575 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.071 -8.776 -1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.136 -8.751 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.453 -7.656 -1.501 1.00 0.00 H new ATOM 812 N VAL A 63 -1.963 -6.835 -1.858 1.00 0.00 N ATOM 813 CA VAL A 63 -1.169 -6.175 -2.894 1.00 0.00 C ATOM 814 C VAL A 63 -0.729 -7.178 -3.961 1.00 0.00 C ATOM 815 O VAL A 63 0.030 -8.105 -3.674 1.00 0.00 O ATOM 816 CB VAL A 63 0.083 -5.491 -2.302 1.00 0.00 C ATOM 817 CG1 VAL A 63 0.777 -4.633 -3.352 1.00 0.00 C ATOM 818 CG2 VAL A 63 -0.285 -4.657 -1.082 1.00 0.00 C ATOM 0 H VAL A 63 -1.606 -7.747 -1.574 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.805 -5.414 -3.345 1.00 0.00 H new ATOM 0 HB VAL A 63 0.778 -6.269 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.656 -4.161 -2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.082 -5.260 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.090 -3.864 -3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.611 -4.184 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.003 -3.889 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.727 -5.300 -0.321 1.00 0.00 H new ATOM 828 N ASN A 64 -1.213 -6.983 -5.191 1.00 0.00 N ATOM 829 CA ASN A 64 -0.878 -7.865 -6.311 1.00 0.00 C ATOM 830 C ASN A 64 -1.211 -9.323 -5.982 1.00 0.00 C ATOM 831 O ASN A 64 -0.433 -10.233 -6.275 1.00 0.00 O ATOM 832 CB ASN A 64 0.604 -7.726 -6.675 1.00 0.00 C ATOM 833 CG ASN A 64 0.871 -8.004 -8.143 1.00 0.00 C ATOM 834 OD1 ASN A 64 0.501 -9.055 -8.666 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.521 -7.062 -8.819 1.00 0.00 N ATOM 0 H ASN A 64 -1.841 -6.218 -5.436 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.480 -7.565 -7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.941 -6.718 -6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.190 -8.414 -6.066 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.730 -7.197 -9.808 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.811 -6.205 -8.349 1.00 0.00 H new ATOM 842 N GLY A 65 -2.373 -9.535 -5.361 1.00 0.00 N ATOM 843 CA GLY A 65 -2.788 -10.879 -4.993 1.00 0.00 C ATOM 844 C GLY A 65 -2.029 -11.438 -3.792 1.00 0.00 C ATOM 845 O GLY A 65 -2.256 -12.582 -3.393 1.00 0.00 O ATOM 0 H GLY A 65 -3.032 -8.799 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.855 -10.874 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.644 -11.542 -5.846 1.00 0.00 H new ATOM 849 N VAL A 66 -1.130 -10.636 -3.211 1.00 0.00 N ATOM 850 CA VAL A 66 -0.348 -11.065 -2.056 1.00 0.00 C ATOM 851 C VAL A 66 -0.984 -10.562 -0.763 1.00 0.00 C ATOM 852 O VAL A 66 -1.180 -9.357 -0.587 1.00 0.00 O ATOM 853 CB VAL A 66 1.111 -10.563 -2.142 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.957 -11.156 -1.023 1.00 0.00 C ATOM 855 CG2 VAL A 66 1.716 -10.891 -3.502 1.00 0.00 C ATOM 0 H VAL A 66 -0.929 -9.687 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.338 -12.155 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 66 1.101 -9.480 -2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.979 -10.787 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.542 -10.863 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.956 -12.243 -1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.743 -10.528 -3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.706 -11.970 -3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.132 -10.409 -4.286 1.00 0.00 H new ATOM 865 N ASN A 67 -1.309 -11.492 0.134 1.00 0.00 N ATOM 866 CA ASN A 67 -1.930 -11.148 1.412 1.00 0.00 C ATOM 867 C ASN A 67 -0.965 -10.353 2.289 1.00 0.00 C ATOM 868 O ASN A 67 0.173 -10.769 2.502 1.00 0.00 O ATOM 869 CB ASN A 67 -2.379 -12.416 2.146 1.00 0.00 C ATOM 870 CG ASN A 67 -3.666 -12.210 2.926 1.00 0.00 C ATOM 871 OD1 ASN A 67 -4.717 -11.930 2.349 1.00 0.00 O ATOM 872 ND2 ASN A 67 -3.592 -12.349 4.245 1.00 0.00 N ATOM 0 H ASN A 67 -1.152 -12.491 -0.001 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.803 -10.528 1.207 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.520 -13.220 1.423 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.591 -12.736 2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.426 -12.223 4.819 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.701 -12.582 4.684 1.00 0.00 H new ATOM 879 N LEU A 68 -1.430 -9.209 2.791 1.00 0.00 N ATOM 880 CA LEU A 68 -0.607 -8.351 3.648 1.00 0.00 C ATOM 881 C LEU A 68 -1.003 -8.473 5.123 1.00 0.00 C ATOM 882 O LEU A 68 -0.241 -8.077 6.006 1.00 0.00 O ATOM 883 CB LEU A 68 -0.715 -6.889 3.206 1.00 0.00 C ATOM 884 CG LEU A 68 0.516 -6.030 3.512 1.00 0.00 C ATOM 885 CD1 LEU A 68 1.510 -6.086 2.360 1.00 0.00 C ATOM 886 CD2 LEU A 68 0.110 -4.591 3.800 1.00 0.00 C ATOM 0 H LEU A 68 -2.371 -8.854 2.620 1.00 0.00 H new ATOM 0 HA LEU A 68 0.425 -8.687 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.901 -6.862 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.582 -6.441 3.691 1.00 0.00 H new ATOM 0 HG LEU A 68 1.000 -6.433 4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.377 -5.469 2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.829 -7.117 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.036 -5.712 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.999 -3.998 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.401 -4.176 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.559 -4.567 4.660 1.00 0.00 H new ATOM 898 N ARG A 69 -2.196 -9.015 5.387 1.00 0.00 N ATOM 899 CA ARG A 69 -2.681 -9.178 6.758 1.00 0.00 C ATOM 900 C ARG A 69 -1.762 -10.092 7.576 1.00 0.00 C ATOM 901 O ARG A 69 -1.617 -9.909 8.785 1.00 0.00 O ATOM 902 CB ARG A 69 -4.105 -9.743 6.755 1.00 0.00 C ATOM 903 CG ARG A 69 -4.902 -9.401 8.007 1.00 0.00 C ATOM 904 CD ARG A 69 -6.123 -10.299 8.158 1.00 0.00 C ATOM 905 NE ARG A 69 -7.287 -9.771 7.443 1.00 0.00 N ATOM 906 CZ ARG A 69 -7.574 -10.046 6.166 1.00 0.00 C ATOM 907 NH1 ARG A 69 -6.788 -10.848 5.452 1.00 0.00 N ATOM 908 NH2 ARG A 69 -8.656 -9.517 5.603 1.00 0.00 N ATOM 0 H ARG A 69 -2.841 -9.347 4.670 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.683 -8.193 7.225 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.636 -9.363 5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.056 -10.827 6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.264 -9.504 8.885 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.219 -8.359 7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.889 -11.295 7.782 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.365 -10.406 9.215 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.920 -9.154 7.952 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.958 -11.260 5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.016 -11.051 4.479 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.265 -8.903 6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.878 -9.725 4.629 1.00 0.00 H new ATOM 922 N ASP A 70 -1.148 -11.077 6.913 1.00 0.00 N ATOM 923 CA ASP A 70 -0.249 -12.017 7.589 1.00 0.00 C ATOM 924 C ASP A 70 1.228 -11.637 7.408 1.00 0.00 C ATOM 925 O ASP A 70 2.115 -12.395 7.808 1.00 0.00 O ATOM 926 CB ASP A 70 -0.481 -13.446 7.078 1.00 0.00 C ATOM 927 CG ASP A 70 -0.338 -13.568 5.571 1.00 0.00 C ATOM 928 OD1 ASP A 70 0.789 -13.395 5.061 1.00 0.00 O ATOM 929 OD2 ASP A 70 -1.353 -13.842 4.901 1.00 0.00 O ATOM 0 H ASP A 70 -1.257 -11.244 5.913 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.479 -11.968 8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.229 -14.118 7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.479 -13.773 7.370 1.00 0.00 H new ATOM 934 N THR A 71 1.496 -10.471 6.813 1.00 0.00 N ATOM 935 CA THR A 71 2.873 -10.023 6.599 1.00 0.00 C ATOM 936 C THR A 71 3.273 -8.973 7.633 1.00 0.00 C ATOM 937 O THR A 71 2.440 -8.188 8.088 1.00 0.00 O ATOM 938 CB THR A 71 3.057 -9.455 5.184 1.00 0.00 C ATOM 939 OG1 THR A 71 2.430 -8.187 5.050 1.00 0.00 O ATOM 940 CG2 THR A 71 2.508 -10.353 4.097 1.00 0.00 C ATOM 0 H THR A 71 0.783 -9.825 6.474 1.00 0.00 H new ATOM 0 HA THR A 71 3.520 -10.893 6.712 1.00 0.00 H new ATOM 0 HB THR A 71 4.136 -9.372 5.057 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.522 -8.231 5.415 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.672 -9.889 3.124 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.016 -11.317 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.439 -10.501 4.252 1.00 0.00 H new ATOM 948 N LYS A 72 4.557 -8.963 7.990 1.00 0.00 N ATOM 949 CA LYS A 72 5.084 -8.006 8.963 1.00 0.00 C ATOM 950 C LYS A 72 5.376 -6.663 8.293 1.00 0.00 C ATOM 951 O LYS A 72 5.503 -6.590 7.071 1.00 0.00 O ATOM 952 CB LYS A 72 6.361 -8.555 9.613 1.00 0.00 C ATOM 953 CG LYS A 72 6.125 -9.761 10.513 1.00 0.00 C ATOM 954 CD LYS A 72 6.288 -11.071 9.756 1.00 0.00 C ATOM 955 CE LYS A 72 7.740 -11.325 9.375 1.00 0.00 C ATOM 956 NZ LYS A 72 8.421 -12.242 10.333 1.00 0.00 N ATOM 0 H LYS A 72 5.254 -9.609 7.619 1.00 0.00 H new ATOM 0 HA LYS A 72 4.330 -7.854 9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.066 -8.831 8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.829 -7.763 10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.825 -9.734 11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.122 -9.708 10.936 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.924 -11.894 10.371 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.674 -11.050 8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.782 -11.753 8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.276 -10.376 9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.407 -12.386 10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.405 -11.823 11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.927 -13.157 10.349 1.00 0.00 H new ATOM 970 N HIS A 73 5.484 -5.602 9.097 1.00 0.00 N ATOM 971 CA HIS A 73 5.764 -4.264 8.569 1.00 0.00 C ATOM 972 C HIS A 73 7.024 -4.271 7.700 1.00 0.00 C ATOM 973 O HIS A 73 7.011 -3.771 6.575 1.00 0.00 O ATOM 974 CB HIS A 73 5.923 -3.252 9.711 1.00 0.00 C ATOM 975 CG HIS A 73 6.077 -1.834 9.246 1.00 0.00 C ATOM 976 ND1 HIS A 73 7.304 -1.245 9.018 1.00 0.00 N ATOM 977 CD2 HIS A 73 5.150 -0.885 8.970 1.00 0.00 C ATOM 978 CE1 HIS A 73 7.125 0.003 8.623 1.00 0.00 C ATOM 979 NE2 HIS A 73 5.828 0.246 8.585 1.00 0.00 N ATOM 0 H HIS A 73 5.382 -5.643 10.111 1.00 0.00 H new ATOM 0 HA HIS A 73 4.917 -3.967 7.951 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.054 -3.318 10.366 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.793 -3.525 10.308 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.078 -0.997 9.040 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.907 0.705 8.374 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.399 1.131 8.314 1.00 0.00 H new ATOM 988 N LYS A 74 8.106 -4.848 8.227 1.00 0.00 N ATOM 989 CA LYS A 74 9.372 -4.928 7.498 1.00 0.00 C ATOM 990 C LYS A 74 9.240 -5.832 6.272 1.00 0.00 C ATOM 991 O LYS A 74 9.770 -5.523 5.203 1.00 0.00 O ATOM 992 CB LYS A 74 10.487 -5.451 8.412 1.00 0.00 C ATOM 993 CG LYS A 74 11.745 -4.596 8.398 1.00 0.00 C ATOM 994 CD LYS A 74 12.807 -5.175 7.473 1.00 0.00 C ATOM 995 CE LYS A 74 13.745 -6.119 8.214 1.00 0.00 C ATOM 996 NZ LYS A 74 14.741 -5.384 9.046 1.00 0.00 N ATOM 0 H LYS A 74 8.130 -5.267 9.157 1.00 0.00 H new ATOM 0 HA LYS A 74 9.629 -3.923 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.110 -5.509 9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.745 -6.466 8.110 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.495 -3.585 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.145 -4.520 9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.325 -5.709 6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.384 -4.364 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.161 -6.783 8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.269 -6.748 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.369 -6.065 9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.306 -4.757 8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.244 -4.817 9.762 1.00 0.00 H new ATOM 1010 N GLU A 75 8.528 -6.948 6.436 1.00 0.00 N ATOM 1011 CA GLU A 75 8.320 -7.900 5.347 1.00 0.00 C ATOM 1012 C GLU A 75 7.500 -7.276 4.216 1.00 0.00 C ATOM 1013 O GLU A 75 7.769 -7.521 3.039 1.00 0.00 O ATOM 1014 CB GLU A 75 7.613 -9.153 5.865 1.00 0.00 C ATOM 1015 CG GLU A 75 8.167 -10.445 5.289 1.00 0.00 C ATOM 1016 CD GLU A 75 7.176 -11.590 5.369 1.00 0.00 C ATOM 1017 OE1 GLU A 75 6.180 -11.569 4.615 1.00 0.00 O ATOM 1018 OE2 GLU A 75 7.395 -12.506 6.189 1.00 0.00 O ATOM 0 H GLU A 75 8.085 -7.214 7.315 1.00 0.00 H new ATOM 0 HA GLU A 75 9.299 -8.174 4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.696 -9.184 6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.551 -9.085 5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.447 -10.284 4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.076 -10.718 5.825 1.00 0.00 H new ATOM 1025 N ALA A 76 6.502 -6.471 4.581 1.00 0.00 N ATOM 1026 CA ALA A 76 5.645 -5.816 3.596 1.00 0.00 C ATOM 1027 C ALA A 76 6.440 -4.844 2.730 1.00 0.00 C ATOM 1028 O ALA A 76 6.163 -4.697 1.538 1.00 0.00 O ATOM 1029 CB ALA A 76 4.500 -5.089 4.286 1.00 0.00 C ATOM 0 H ALA A 76 6.268 -6.258 5.551 1.00 0.00 H new ATOM 0 HA ALA A 76 5.233 -6.589 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.872 -4.607 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.904 -5.804 4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.903 -4.335 4.962 1.00 0.00 H new ATOM 1035 N VAL A 77 7.436 -4.190 3.330 1.00 0.00 N ATOM 1036 CA VAL A 77 8.277 -3.242 2.602 1.00 0.00 C ATOM 1037 C VAL A 77 9.021 -3.950 1.472 1.00 0.00 C ATOM 1038 O VAL A 77 9.120 -3.430 0.360 1.00 0.00 O ATOM 1039 CB VAL A 77 9.302 -2.552 3.532 1.00 0.00 C ATOM 1040 CG1 VAL A 77 10.078 -1.479 2.779 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.611 -1.956 4.753 1.00 0.00 C ATOM 0 H VAL A 77 7.678 -4.300 4.315 1.00 0.00 H new ATOM 0 HA VAL A 77 7.618 -2.478 2.190 1.00 0.00 H new ATOM 0 HB VAL A 77 10.008 -3.308 3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.793 -1.007 3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.611 -1.934 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.385 -0.727 2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.352 -1.476 5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.877 -1.218 4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.110 -2.748 5.310 1.00 0.00 H new ATOM 1051 N THR A 78 9.531 -5.147 1.764 1.00 0.00 N ATOM 1052 CA THR A 78 10.254 -5.937 0.771 1.00 0.00 C ATOM 1053 C THR A 78 9.334 -6.321 -0.388 1.00 0.00 C ATOM 1054 O THR A 78 9.715 -6.211 -1.555 1.00 0.00 O ATOM 1055 CB THR A 78 10.842 -7.202 1.409 1.00 0.00 C ATOM 1056 OG1 THR A 78 11.067 -7.017 2.799 1.00 0.00 O ATOM 1057 CG2 THR A 78 12.153 -7.634 0.786 1.00 0.00 C ATOM 0 H THR A 78 9.456 -5.589 2.680 1.00 0.00 H new ATOM 0 HA THR A 78 11.070 -5.326 0.385 1.00 0.00 H new ATOM 0 HB THR A 78 10.098 -7.979 1.233 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.440 -7.838 3.182 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.513 -8.534 1.284 1.00 0.00 H new ATOM 0 HG22 THR A 78 12.002 -7.841 -0.273 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.889 -6.838 0.898 1.00 0.00 H new ATOM 1065 N ILE A 79 8.119 -6.766 -0.057 1.00 0.00 N ATOM 1066 CA ILE A 79 7.141 -7.161 -1.070 1.00 0.00 C ATOM 1067 C ILE A 79 6.738 -5.969 -1.938 1.00 0.00 C ATOM 1068 O ILE A 79 6.696 -6.075 -3.164 1.00 0.00 O ATOM 1069 CB ILE A 79 5.868 -7.775 -0.440 1.00 0.00 C ATOM 1070 CG1 ILE A 79 6.230 -8.903 0.532 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.934 -8.290 -1.529 1.00 0.00 C ATOM 1072 CD1 ILE A 79 5.150 -9.189 1.555 1.00 0.00 C ATOM 0 H ILE A 79 7.791 -6.861 0.904 1.00 0.00 H new ATOM 0 HA ILE A 79 7.625 -7.918 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 79 5.354 -6.995 0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.431 -9.811 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.152 -8.642 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.043 -8.719 -1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.646 -7.465 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.445 -9.054 -2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.474 -9.998 2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.965 -8.294 2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.233 -9.481 1.044 1.00 0.00 H new ATOM 1084 N LEU A 80 6.444 -4.838 -1.295 1.00 0.00 N ATOM 1085 CA LEU A 80 6.046 -3.625 -2.010 1.00 0.00 C ATOM 1086 C LEU A 80 7.097 -3.227 -3.047 1.00 0.00 C ATOM 1087 O LEU A 80 6.757 -2.834 -4.163 1.00 0.00 O ATOM 1088 CB LEU A 80 5.816 -2.471 -1.031 1.00 0.00 C ATOM 1089 CG LEU A 80 4.357 -2.239 -0.631 1.00 0.00 C ATOM 1090 CD1 LEU A 80 4.263 -1.860 0.838 1.00 0.00 C ATOM 1091 CD2 LEU A 80 3.728 -1.164 -1.507 1.00 0.00 C ATOM 0 H LEU A 80 6.474 -4.737 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 80 5.112 -3.839 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.398 -2.659 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.204 -1.555 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 80 3.805 -3.167 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.219 -1.699 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.674 -2.664 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.829 -0.945 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.691 -1.012 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.279 -0.231 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.763 -1.478 -2.550 1.00 0.00 H new ATOM 1103 N SER A 81 8.374 -3.339 -2.674 1.00 0.00 N ATOM 1104 CA SER A 81 9.468 -2.998 -3.582 1.00 0.00 C ATOM 1105 C SER A 81 9.527 -3.973 -4.759 1.00 0.00 C ATOM 1106 O SER A 81 9.868 -3.585 -5.878 1.00 0.00 O ATOM 1107 CB SER A 81 10.806 -2.995 -2.839 1.00 0.00 C ATOM 1108 OG SER A 81 11.633 -1.935 -3.290 1.00 0.00 O ATOM 0 H SER A 81 8.674 -3.662 -1.754 1.00 0.00 H new ATOM 0 HA SER A 81 9.278 -1.997 -3.970 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.631 -2.895 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.313 -3.948 -2.992 1.00 0.00 H new ATOM 0 HG SER A 81 12.482 -1.951 -2.800 1.00 0.00 H new ATOM 1114 N GLN A 82 9.188 -5.239 -4.500 1.00 0.00 N ATOM 1115 CA GLN A 82 9.195 -6.271 -5.539 1.00 0.00 C ATOM 1116 C GLN A 82 8.135 -5.994 -6.610 1.00 0.00 C ATOM 1117 O GLN A 82 8.268 -6.443 -7.749 1.00 0.00 O ATOM 1118 CB GLN A 82 8.962 -7.655 -4.923 1.00 0.00 C ATOM 1119 CG GLN A 82 10.003 -8.049 -3.885 1.00 0.00 C ATOM 1120 CD GLN A 82 11.011 -9.056 -4.411 1.00 0.00 C ATOM 1121 OE1 GLN A 82 11.313 -9.087 -5.604 1.00 0.00 O ATOM 1122 NE2 GLN A 82 11.540 -9.888 -3.519 1.00 0.00 N ATOM 0 H GLN A 82 8.905 -5.573 -3.579 1.00 0.00 H new ATOM 0 HA GLN A 82 10.175 -6.251 -6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.975 -7.675 -4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.956 -8.400 -5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.530 -7.156 -3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.499 -8.468 -3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.262 -9.829 -2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.223 -10.585 -3.814 1.00 0.00 H new ATOM 1131 N GLN A 83 7.084 -5.254 -6.241 1.00 0.00 N ATOM 1132 CA GLN A 83 6.009 -4.922 -7.176 1.00 0.00 C ATOM 1133 C GLN A 83 6.537 -4.066 -8.327 1.00 0.00 C ATOM 1134 O GLN A 83 6.793 -2.872 -8.159 1.00 0.00 O ATOM 1135 CB GLN A 83 4.870 -4.189 -6.455 1.00 0.00 C ATOM 1136 CG GLN A 83 4.451 -4.833 -5.141 1.00 0.00 C ATOM 1137 CD GLN A 83 4.081 -6.296 -5.295 1.00 0.00 C ATOM 1138 OE1 GLN A 83 2.973 -6.624 -5.709 1.00 0.00 O ATOM 1139 NE2 GLN A 83 5.011 -7.184 -4.962 1.00 0.00 N ATOM 0 H GLN A 83 6.957 -4.875 -5.303 1.00 0.00 H new ATOM 0 HA GLN A 83 5.620 -5.854 -7.585 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.178 -3.162 -6.262 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.005 -4.143 -7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.265 -4.743 -4.422 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.600 -4.289 -4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.919 -6.868 -4.622 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.817 -8.182 -5.046 1.00 0.00 H new ATOM 1148 N ARG A 84 6.707 -4.690 -9.493 1.00 0.00 N ATOM 1149 CA ARG A 84 7.213 -3.997 -10.676 1.00 0.00 C ATOM 1150 C ARG A 84 6.133 -3.880 -11.747 1.00 0.00 C ATOM 1151 O ARG A 84 5.199 -4.685 -11.792 1.00 0.00 O ATOM 1152 CB ARG A 84 8.430 -4.730 -11.245 1.00 0.00 C ATOM 1153 CG ARG A 84 9.618 -4.770 -10.298 1.00 0.00 C ATOM 1154 CD ARG A 84 10.308 -3.417 -10.212 1.00 0.00 C ATOM 1155 NE ARG A 84 10.857 -3.163 -8.880 1.00 0.00 N ATOM 1156 CZ ARG A 84 11.270 -1.965 -8.460 1.00 0.00 C ATOM 1157 NH1 ARG A 84 11.183 -0.904 -9.256 1.00 0.00 N ATOM 1158 NH2 ARG A 84 11.767 -1.828 -7.235 1.00 0.00 N ATOM 0 H ARG A 84 6.501 -5.678 -9.643 1.00 0.00 H new ATOM 0 HA ARG A 84 7.510 -2.993 -10.373 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.143 -5.751 -11.497 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.733 -4.246 -12.173 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.284 -5.073 -9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.330 -5.522 -10.638 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.110 -3.372 -10.949 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.597 -2.631 -10.466 1.00 0.00 H new ATOM 0 HE ARG A 84 10.929 -3.949 -8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.798 -1.002 -10.196 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.501 0.008 -8.927 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.832 -2.637 -6.618 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.083 -0.914 -6.912 1.00 0.00 H new ATOM 1172 N GLY A 85 6.270 -2.873 -12.611 1.00 0.00 N ATOM 1173 CA GLY A 85 5.305 -2.661 -13.677 1.00 0.00 C ATOM 1174 C GLY A 85 3.926 -2.319 -13.148 1.00 0.00 C ATOM 1175 O GLY A 85 3.685 -1.191 -12.710 1.00 0.00 O ATOM 0 H GLY A 85 7.035 -2.199 -12.590 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.653 -1.856 -14.324 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.243 -3.559 -14.291 1.00 0.00 H new ATOM 1179 N GLU A 86 3.024 -3.299 -13.177 1.00 0.00 N ATOM 1180 CA GLU A 86 1.664 -3.105 -12.688 1.00 0.00 C ATOM 1181 C GLU A 86 1.529 -3.625 -11.260 1.00 0.00 C ATOM 1182 O GLU A 86 1.937 -4.748 -10.958 1.00 0.00 O ATOM 1183 CB GLU A 86 0.659 -3.814 -13.599 1.00 0.00 C ATOM 1184 CG GLU A 86 -0.790 -3.455 -13.302 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.631 -4.664 -12.938 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.501 -5.156 -11.796 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -2.420 -5.117 -13.793 1.00 0.00 O ATOM 0 H GLU A 86 3.213 -4.235 -13.535 1.00 0.00 H new ATOM 0 HA GLU A 86 1.450 -2.036 -12.694 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.882 -3.563 -14.636 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.786 -4.892 -13.497 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.821 -2.736 -12.483 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.224 -2.965 -14.173 1.00 0.00 H new ATOM 1194 N ILE A 87 0.953 -2.802 -10.387 1.00 0.00 N ATOM 1195 CA ILE A 87 0.762 -3.177 -8.991 1.00 0.00 C ATOM 1196 C ILE A 87 -0.700 -3.015 -8.580 1.00 0.00 C ATOM 1197 O ILE A 87 -1.265 -1.924 -8.681 1.00 0.00 O ATOM 1198 CB ILE A 87 1.642 -2.329 -8.047 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.061 -2.192 -8.608 1.00 0.00 C ATOM 1200 CG2 ILE A 87 1.674 -2.947 -6.655 1.00 0.00 C ATOM 1201 CD1 ILE A 87 3.962 -1.320 -7.762 1.00 0.00 C ATOM 0 H ILE A 87 0.611 -1.871 -10.623 1.00 0.00 H new ATOM 0 HA ILE A 87 1.056 -4.223 -8.903 1.00 0.00 H new ATOM 0 HB ILE A 87 1.207 -1.332 -7.974 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.506 -3.183 -8.696 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.007 -1.777 -9.614 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.298 -2.338 -6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.662 -2.991 -6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.085 -3.955 -6.714 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.950 -1.267 -8.218 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.540 -0.317 -7.695 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.046 -1.746 -6.762 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.305 -4.102 -8.111 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.698 -4.073 -7.677 1.00 0.00 C ATOM 1215 C GLU A 88 -2.783 -3.820 -6.175 1.00 0.00 C ATOM 1216 O GLU A 88 -2.210 -4.567 -5.383 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.390 -5.391 -8.025 1.00 0.00 C ATOM 1218 CG GLU A 88 -4.906 -5.327 -7.919 1.00 0.00 C ATOM 1219 CD GLU A 88 -5.602 -6.196 -8.948 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -5.631 -7.431 -8.761 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -6.118 -5.642 -9.942 1.00 0.00 O ATOM 0 H GLU A 88 -0.854 -5.012 -8.022 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.204 -3.261 -8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.117 -5.679 -9.040 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.020 -6.173 -7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.210 -5.640 -6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.231 -4.294 -8.042 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.492 -2.763 -5.786 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.635 -2.422 -4.374 1.00 0.00 C ATOM 1230 C PHE A 89 -5.091 -2.508 -3.924 1.00 0.00 C ATOM 1231 O PHE A 89 -5.994 -2.009 -4.598 1.00 0.00 O ATOM 1232 CB PHE A 89 -3.089 -1.016 -4.108 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.928 -0.997 -3.153 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -2.130 -1.171 -1.793 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -0.636 -0.808 -3.616 1.00 0.00 C ATOM 1236 CE1 PHE A 89 -1.066 -1.155 -0.913 1.00 0.00 C ATOM 1237 CE2 PHE A 89 0.433 -0.792 -2.740 1.00 0.00 C ATOM 1238 CZ PHE A 89 0.217 -0.966 -1.386 1.00 0.00 C ATOM 0 H PHE A 89 -3.974 -2.131 -6.425 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.059 -3.147 -3.798 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.780 -0.570 -5.053 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.889 -0.393 -3.708 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.131 -1.321 -1.417 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.462 -0.672 -4.673 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.237 -1.290 0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.436 -0.644 -3.113 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.050 -0.954 -0.699 1.00 0.00 H new ATOM 1248 N GLU A 90 -5.309 -3.137 -2.772 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.648 -3.282 -2.218 1.00 0.00 C ATOM 1250 C GLU A 90 -6.705 -2.676 -0.820 1.00 0.00 C ATOM 1251 O GLU A 90 -6.029 -3.149 0.098 1.00 0.00 O ATOM 1252 CB GLU A 90 -7.050 -4.758 -2.177 1.00 0.00 C ATOM 1253 CG GLU A 90 -8.503 -5.005 -2.548 1.00 0.00 C ATOM 1254 CD GLU A 90 -8.935 -6.433 -2.282 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -9.201 -6.764 -1.108 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -9.005 -7.221 -3.248 1.00 0.00 O ATOM 0 H GLU A 90 -4.572 -3.555 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.352 -2.751 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.410 -5.319 -2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.869 -5.147 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.140 -4.325 -1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.649 -4.775 -3.603 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.501 -1.619 -0.669 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.635 -0.935 0.616 1.00 0.00 C ATOM 1265 C VAL A 91 -9.089 -0.556 0.903 1.00 0.00 C ATOM 1266 O VAL A 91 -9.954 -0.656 0.030 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.767 0.344 0.668 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -5.284 0.000 0.628 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -7.130 1.290 -0.469 1.00 0.00 C ATOM 0 H VAL A 91 -8.063 -1.218 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.291 -1.636 1.376 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.971 0.849 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.697 0.917 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.033 -0.627 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.060 -0.537 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.507 2.183 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.964 0.792 -1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.179 1.574 -0.385 1.00 0.00 H new ATOM 1279 N VAL A 92 -9.344 -0.111 2.134 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.685 0.295 2.549 1.00 0.00 C ATOM 1281 C VAL A 92 -10.640 1.614 3.322 1.00 0.00 C ATOM 1282 O VAL A 92 -9.770 1.812 4.171 1.00 0.00 O ATOM 1283 CB VAL A 92 -11.361 -0.784 3.426 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -11.803 -1.967 2.577 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -10.430 -1.241 4.542 1.00 0.00 C ATOM 0 H VAL A 92 -8.636 -0.023 2.863 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.273 0.426 1.640 1.00 0.00 H new ATOM 0 HB VAL A 92 -12.245 -0.341 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.276 -2.715 3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.515 -1.629 1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.935 -2.406 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.929 -2.000 5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.522 -1.661 4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -10.172 -0.390 5.172 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.579 2.515 3.020 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.639 3.818 3.689 1.00 0.00 C ATOM 1297 C TYR A 93 -11.995 3.658 5.167 1.00 0.00 C ATOM 1298 O TYR A 93 -13.041 3.101 5.506 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.664 4.728 3.001 1.00 0.00 C ATOM 1300 CG TYR A 93 -12.215 6.169 2.859 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.506 6.811 3.872 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -12.505 6.890 1.707 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -11.101 8.126 3.737 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -12.102 8.204 1.565 1.00 0.00 C ATOM 1305 CZ TYR A 93 -11.402 8.818 2.582 1.00 0.00 C ATOM 1306 OH TYR A 93 -10.999 10.126 2.442 1.00 0.00 O ATOM 0 H TYR A 93 -12.305 2.367 2.319 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.653 4.277 3.618 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.883 4.328 2.011 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.595 4.703 3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.269 6.273 4.778 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.055 6.415 0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.552 8.609 4.532 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.334 8.748 0.661 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.290 10.466 1.570 1.00 0.00 H new ATOM 1316 N VAL A 94 -11.117 4.149 6.040 1.00 0.00 N ATOM 1317 CA VAL A 94 -11.331 4.061 7.481 1.00 0.00 C ATOM 1318 C VAL A 94 -11.496 5.449 8.098 1.00 0.00 C ATOM 1319 O VAL A 94 -10.765 6.381 7.754 1.00 0.00 O ATOM 1320 CB VAL A 94 -10.160 3.333 8.178 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -10.488 3.050 9.637 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -9.816 2.043 7.446 1.00 0.00 C ATOM 0 H VAL A 94 -10.249 4.613 5.772 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.246 3.489 7.633 1.00 0.00 H new ATOM 0 HB VAL A 94 -9.289 3.988 8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.648 2.537 10.106 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.675 3.990 10.157 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.376 2.420 9.695 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.989 1.546 7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.685 1.385 7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.527 2.273 6.420 1.00 0.00 H new ATOM 1332 N ALA A 95 -12.459 5.576 9.009 1.00 0.00 N ATOM 1333 CA ALA A 95 -12.725 6.847 9.680 1.00 0.00 C ATOM 1334 C ALA A 95 -12.988 6.645 11.174 1.00 0.00 C ATOM 1335 O ALA A 95 -13.312 7.641 11.857 1.00 0.00 O ATOM 1336 CB ALA A 95 -13.905 7.546 9.018 1.00 0.00 C ATOM 0 H ALA A 95 -13.069 4.812 9.300 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.839 7.475 9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.097 8.492 9.523 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.675 7.735 7.969 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.789 6.912 9.087 1.00 0.00 H new