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 Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0119) USER MOD Single : A 20 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-0.77) 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+ 167:sc= 0 (180deg=-0.0714) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= -0.147 K(o=-0.15,f=-0.66) USER MOD Single : A 46 GLN : amide:sc= -2.1! C(o=-2.1!,f=-2.2!) USER MOD Single : A 51 CYS SG : rot 121:sc= -0.874 USER MOD Single : A 55 HIS : no HD1:sc= -4.28 X(o=-4.3,f=-4.5!) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=0.65) USER MOD Single : A 67 ASN : amide:sc= 0.0244 K(o=0.024,f=-3.3!) USER MOD Single : A 71 THR OG1 : rot 160:sc= -1.51 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HE2:sc= -0.754 X(o=-0.75,f=-0.41) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.4!) USER MOD Single : A 83 GLN : amide:sc= -1.85 K(o=-1.9,f=-4.6!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -16.454 -1.407 3.316 1.00 0.00 N ATOM 2 CA PRO A 9 -16.353 -0.953 1.900 1.00 0.00 C ATOM 3 C PRO A 9 -14.902 -0.935 1.410 1.00 0.00 C ATOM 4 O PRO A 9 -14.204 0.071 1.542 1.00 0.00 O ATOM 5 CB PRO A 9 -16.963 0.445 1.820 1.00 0.00 C ATOM 6 CG PRO A 9 -17.229 0.813 3.242 1.00 0.00 C ATOM 7 CD PRO A 9 -17.379 -0.485 3.999 1.00 0.00 C ATOM 0 HA PRO A 9 -16.890 -1.648 1.255 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.280 1.151 1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.880 0.446 1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.411 1.407 3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.133 1.417 3.324 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.119 -0.366 5.051 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -18.405 -0.851 3.964 1.00 0.00 H new ATOM 17 N ILE A 10 -14.458 -2.057 0.845 1.00 0.00 N ATOM 18 CA ILE A 10 -13.092 -2.175 0.336 1.00 0.00 C ATOM 19 C ILE A 10 -12.960 -1.530 -1.043 1.00 0.00 C ATOM 20 O ILE A 10 -13.872 -1.611 -1.868 1.00 0.00 O ATOM 21 CB ILE A 10 -12.645 -3.653 0.251 1.00 0.00 C ATOM 22 CG1 ILE A 10 -12.765 -4.326 1.620 1.00 0.00 C ATOM 23 CG2 ILE A 10 -11.214 -3.752 -0.267 1.00 0.00 C ATOM 24 CD1 ILE A 10 -12.502 -5.817 1.587 1.00 0.00 C ATOM 0 H ILE A 10 -15.024 -2.897 0.728 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.446 -1.651 1.041 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.300 -4.171 -0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.063 -3.857 2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.765 -4.151 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.918 -4.800 -0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.155 -3.308 -1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.545 -3.219 0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -12.605 -6.227 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -13.220 -6.299 0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.491 -6.000 1.222 1.00 0.00 H new ATOM 36 N ARG A 11 -11.814 -0.893 -1.285 1.00 0.00 N ATOM 37 CA ARG A 11 -11.553 -0.233 -2.562 1.00 0.00 C ATOM 38 C ARG A 11 -10.359 -0.870 -3.277 1.00 0.00 C ATOM 39 O ARG A 11 -9.349 -1.196 -2.649 1.00 0.00 O ATOM 40 CB ARG A 11 -11.298 1.262 -2.347 1.00 0.00 C ATOM 41 CG ARG A 11 -12.008 2.154 -3.355 1.00 0.00 C ATOM 42 CD ARG A 11 -12.935 3.146 -2.668 1.00 0.00 C ATOM 43 NE ARG A 11 -13.234 4.300 -3.517 1.00 0.00 N ATOM 44 CZ ARG A 11 -13.714 5.460 -3.062 1.00 0.00 C ATOM 45 NH1 ARG A 11 -13.963 5.628 -1.765 1.00 0.00 N ATOM 46 NH2 ARG A 11 -13.950 6.457 -3.908 1.00 0.00 N ATOM 0 H ARG A 11 -11.051 -0.821 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.435 -0.357 -3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.620 1.536 -1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.226 1.450 -2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.270 2.695 -3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.582 1.537 -4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.865 2.645 -2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.476 3.488 -1.741 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.065 4.213 -4.519 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.787 4.867 -1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.330 6.518 -1.427 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.765 6.336 -4.904 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.317 7.344 -3.562 1.00 0.00 H new ATOM 60 N LYS A 12 -10.486 -1.043 -4.594 1.00 0.00 N ATOM 61 CA LYS A 12 -9.423 -1.639 -5.403 1.00 0.00 C ATOM 62 C LYS A 12 -8.870 -0.627 -6.407 1.00 0.00 C ATOM 63 O LYS A 12 -9.594 -0.154 -7.285 1.00 0.00 O ATOM 64 CB LYS A 12 -9.948 -2.873 -6.145 1.00 0.00 C ATOM 65 CG LYS A 12 -9.451 -4.192 -5.573 1.00 0.00 C ATOM 66 CD LYS A 12 -10.424 -4.759 -4.549 1.00 0.00 C ATOM 67 CE LYS A 12 -10.294 -6.272 -4.428 1.00 0.00 C ATOM 68 NZ LYS A 12 -11.283 -6.992 -5.282 1.00 0.00 N ATOM 0 H LYS A 12 -11.317 -0.778 -5.123 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.617 -1.940 -4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.038 -2.864 -6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.653 -2.808 -7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.312 -4.910 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.477 -4.044 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.240 -4.299 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.444 -4.503 -4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.285 -6.572 -4.711 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.433 -6.565 -3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.158 -8.018 -5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.247 -6.727 -4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.134 -6.734 -6.278 1.00 0.00 H new ATOM 82 N VAL A 13 -7.584 -0.299 -6.271 1.00 0.00 N ATOM 83 CA VAL A 13 -6.933 0.659 -7.165 1.00 0.00 C ATOM 84 C VAL A 13 -5.588 0.123 -7.664 1.00 0.00 C ATOM 85 O VAL A 13 -4.843 -0.506 -6.911 1.00 0.00 O ATOM 86 CB VAL A 13 -6.710 2.019 -6.463 1.00 0.00 C ATOM 87 CG1 VAL A 13 -6.232 3.073 -7.452 1.00 0.00 C ATOM 88 CG2 VAL A 13 -7.983 2.481 -5.766 1.00 0.00 C ATOM 0 H VAL A 13 -6.973 -0.683 -5.550 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.598 0.803 -8.016 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.934 1.883 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.083 4.019 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.291 2.753 -7.899 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.979 3.203 -8.235 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.804 3.439 -5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.781 2.591 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.277 1.744 -5.019 1.00 0.00 H new ATOM 98 N LEU A 14 -5.285 0.378 -8.938 1.00 0.00 N ATOM 99 CA LEU A 14 -4.031 -0.076 -9.540 1.00 0.00 C ATOM 100 C LEU A 14 -2.990 1.042 -9.544 1.00 0.00 C ATOM 101 O LEU A 14 -3.282 2.172 -9.938 1.00 0.00 O ATOM 102 CB LEU A 14 -4.273 -0.565 -10.974 1.00 0.00 C ATOM 103 CG LEU A 14 -3.612 -1.901 -11.332 1.00 0.00 C ATOM 104 CD1 LEU A 14 -4.256 -2.500 -12.575 1.00 0.00 C ATOM 105 CD2 LEU A 14 -2.114 -1.722 -11.541 1.00 0.00 C ATOM 0 H LEU A 14 -5.892 0.897 -9.573 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.650 -0.902 -8.939 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.348 -0.656 -11.132 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.912 0.197 -11.666 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.762 -2.589 -10.500 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.774 -3.448 -12.814 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.317 -2.669 -12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.139 -1.812 -13.413 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.665 -2.682 -11.794 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.942 -1.015 -12.353 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.662 -1.340 -10.626 1.00 0.00 H new ATOM 117 N LEU A 15 -1.774 0.715 -9.109 1.00 0.00 N ATOM 118 CA LEU A 15 -0.686 1.686 -9.064 1.00 0.00 C ATOM 119 C LEU A 15 0.408 1.320 -10.066 1.00 0.00 C ATOM 120 O LEU A 15 1.012 0.250 -9.976 1.00 0.00 O ATOM 121 CB LEU A 15 -0.100 1.757 -7.649 1.00 0.00 C ATOM 122 CG LEU A 15 0.055 3.170 -7.079 1.00 0.00 C ATOM 123 CD1 LEU A 15 -1.206 3.588 -6.334 1.00 0.00 C ATOM 124 CD2 LEU A 15 1.269 3.245 -6.163 1.00 0.00 C ATOM 0 H LEU A 15 -1.519 -0.217 -8.783 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.087 2.663 -9.333 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.738 1.180 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.877 1.275 -7.653 1.00 0.00 H new ATOM 0 HG LEU A 15 0.207 3.861 -7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.077 4.595 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.054 3.574 -7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.391 2.895 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.364 4.256 -5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.147 2.542 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.166 2.990 -6.727 1.00 0.00 H new ATOM 136 N LEU A 16 0.662 2.218 -11.016 1.00 0.00 N ATOM 137 CA LEU A 16 1.687 1.992 -12.032 1.00 0.00 C ATOM 138 C LEU A 16 2.869 2.931 -11.811 1.00 0.00 C ATOM 139 O LEU A 16 2.735 4.150 -11.932 1.00 0.00 O ATOM 140 CB LEU A 16 1.103 2.193 -13.434 1.00 0.00 C ATOM 141 CG LEU A 16 0.255 1.030 -13.956 1.00 0.00 C ATOM 142 CD1 LEU A 16 -1.143 1.070 -13.357 1.00 0.00 C ATOM 143 CD2 LEU A 16 0.185 1.060 -15.476 1.00 0.00 C ATOM 0 H LEU A 16 0.172 3.108 -11.103 1.00 0.00 H new ATOM 0 HA LEU A 16 2.038 0.964 -11.947 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.492 3.095 -13.430 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.923 2.366 -14.131 1.00 0.00 H new ATOM 0 HG LEU A 16 0.730 0.098 -13.650 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.728 0.235 -13.742 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.076 0.996 -12.272 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.628 2.008 -13.628 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.422 0.226 -15.829 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.264 1.999 -15.801 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.191 0.977 -15.888 1.00 0.00 H new ATOM 155 N LYS A 17 4.023 2.356 -11.475 1.00 0.00 N ATOM 156 CA LYS A 17 5.227 3.143 -11.223 1.00 0.00 C ATOM 157 C LYS A 17 6.409 2.626 -12.043 1.00 0.00 C ATOM 158 O LYS A 17 6.532 1.425 -12.284 1.00 0.00 O ATOM 159 CB LYS A 17 5.572 3.119 -9.730 1.00 0.00 C ATOM 160 CG LYS A 17 5.777 1.719 -9.168 1.00 0.00 C ATOM 161 CD LYS A 17 6.003 1.747 -7.665 1.00 0.00 C ATOM 162 CE LYS A 17 7.476 1.587 -7.317 1.00 0.00 C ATOM 163 NZ LYS A 17 7.945 0.185 -7.508 1.00 0.00 N ATOM 0 H LYS A 17 4.149 1.349 -11.371 1.00 0.00 H new ATOM 0 HA LYS A 17 5.027 4.170 -11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.478 3.702 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.773 3.610 -9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.906 1.104 -9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.632 1.252 -9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.633 2.688 -7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.429 0.949 -7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.070 2.256 -7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.639 1.886 -6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.904 0.084 -7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.301 -0.467 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.958 -0.042 -8.523 1.00 0.00 H new ATOM 177 N GLU A 18 7.275 3.546 -12.463 1.00 0.00 N ATOM 178 CA GLU A 18 8.451 3.191 -13.254 1.00 0.00 C ATOM 179 C GLU A 18 9.535 2.564 -12.378 1.00 0.00 C ATOM 180 O GLU A 18 9.488 2.661 -11.150 1.00 0.00 O ATOM 181 CB GLU A 18 9.011 4.430 -13.959 1.00 0.00 C ATOM 182 CG GLU A 18 8.506 4.608 -15.383 1.00 0.00 C ATOM 183 CD GLU A 18 9.631 4.686 -16.397 1.00 0.00 C ATOM 184 OE1 GLU A 18 10.381 3.696 -16.531 1.00 0.00 O ATOM 185 OE2 GLU A 18 9.764 5.740 -17.055 1.00 0.00 O ATOM 0 H GLU A 18 7.184 4.543 -12.269 1.00 0.00 H new ATOM 0 HA GLU A 18 8.143 2.459 -14.000 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.751 5.315 -13.378 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.099 4.367 -13.975 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.849 3.776 -15.638 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.907 5.517 -15.441 1.00 0.00 H new ATOM 192 N ASP A 19 10.514 1.929 -13.021 1.00 0.00 N ATOM 193 CA ASP A 19 11.622 1.289 -12.307 1.00 0.00 C ATOM 194 C ASP A 19 12.353 2.298 -11.420 1.00 0.00 C ATOM 195 O ASP A 19 12.800 1.963 -10.321 1.00 0.00 O ATOM 196 CB ASP A 19 12.603 0.660 -13.302 1.00 0.00 C ATOM 197 CG ASP A 19 12.009 -0.527 -14.036 1.00 0.00 C ATOM 198 OD1 ASP A 19 11.037 -0.331 -14.796 1.00 0.00 O ATOM 199 OD2 ASP A 19 12.519 -1.653 -13.853 1.00 0.00 O ATOM 0 H ASP A 19 10.564 1.843 -14.036 1.00 0.00 H new ATOM 0 HA ASP A 19 11.209 0.506 -11.671 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.912 1.413 -14.027 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.500 0.342 -12.770 1.00 0.00 H new ATOM 204 N HIS A 20 12.465 3.536 -11.905 1.00 0.00 N ATOM 205 CA HIS A 20 13.132 4.603 -11.160 1.00 0.00 C ATOM 206 C HIS A 20 12.210 5.198 -10.087 1.00 0.00 C ATOM 207 O HIS A 20 12.680 5.676 -9.053 1.00 0.00 O ATOM 208 CB HIS A 20 13.606 5.703 -12.120 1.00 0.00 C ATOM 209 CG HIS A 20 12.495 6.394 -12.853 1.00 0.00 C ATOM 210 ND1 HIS A 20 11.861 7.518 -12.370 1.00 0.00 N ATOM 211 CD2 HIS A 20 11.907 6.112 -14.040 1.00 0.00 C ATOM 212 CE1 HIS A 20 10.930 7.898 -13.227 1.00 0.00 C ATOM 213 NE2 HIS A 20 10.937 7.062 -14.249 1.00 0.00 N ATOM 0 H HIS A 20 12.101 3.824 -12.813 1.00 0.00 H new ATOM 0 HA HIS A 20 13.996 4.170 -10.657 1.00 0.00 H new ATOM 0 HB2 HIS A 20 14.171 6.445 -11.556 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.290 5.266 -12.847 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.155 5.293 -14.699 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.274 8.748 -13.111 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.322 7.113 -15.061 1.00 0.00 H new ATOM 222 N GLU A 21 10.896 5.175 -10.342 1.00 0.00 N ATOM 223 CA GLU A 21 9.909 5.719 -9.403 1.00 0.00 C ATOM 224 C GLU A 21 9.777 4.854 -8.147 1.00 0.00 C ATOM 225 O GLU A 21 10.274 3.726 -8.099 1.00 0.00 O ATOM 226 CB GLU A 21 8.543 5.851 -10.082 1.00 0.00 C ATOM 227 CG GLU A 21 8.457 7.012 -11.059 1.00 0.00 C ATOM 228 CD GLU A 21 7.107 7.706 -11.025 1.00 0.00 C ATOM 229 OE1 GLU A 21 6.076 7.014 -11.172 1.00 0.00 O ATOM 230 OE2 GLU A 21 7.081 8.941 -10.848 1.00 0.00 O ATOM 0 H GLU A 21 10.492 4.784 -11.193 1.00 0.00 H new ATOM 0 HA GLU A 21 10.263 6.704 -9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.319 4.925 -10.611 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.777 5.974 -9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.239 7.735 -10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.649 6.648 -12.068 1.00 0.00 H new ATOM 237 N GLY A 22 9.101 5.399 -7.129 1.00 0.00 N ATOM 238 CA GLY A 22 8.912 4.680 -5.878 1.00 0.00 C ATOM 239 C GLY A 22 7.446 4.498 -5.503 1.00 0.00 C ATOM 240 O GLY A 22 6.567 4.547 -6.365 1.00 0.00 O ATOM 0 H GLY A 22 8.681 6.328 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.384 3.701 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.421 5.217 -5.078 1.00 0.00 H new ATOM 244 N LEU A 23 7.191 4.281 -4.208 1.00 0.00 N ATOM 245 CA LEU A 23 5.829 4.077 -3.700 1.00 0.00 C ATOM 246 C LEU A 23 4.949 5.309 -3.928 1.00 0.00 C ATOM 247 O LEU A 23 3.949 5.239 -4.645 1.00 0.00 O ATOM 248 CB LEU A 23 5.864 3.726 -2.205 1.00 0.00 C ATOM 249 CG LEU A 23 4.912 2.605 -1.775 1.00 0.00 C ATOM 250 CD1 LEU A 23 5.418 1.930 -0.508 1.00 0.00 C ATOM 251 CD2 LEU A 23 3.505 3.147 -1.565 1.00 0.00 C ATOM 0 H LEU A 23 7.914 4.242 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 23 5.393 3.247 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.881 3.439 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.626 4.622 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 23 4.878 1.861 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.729 1.137 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.405 1.504 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.483 2.665 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.844 2.336 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.522 3.912 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.140 3.582 -2.495 1.00 0.00 H new ATOM 263 N GLY A 24 5.323 6.433 -3.313 1.00 0.00 N ATOM 264 CA GLY A 24 4.552 7.658 -3.465 1.00 0.00 C ATOM 265 C GLY A 24 3.827 8.084 -2.195 1.00 0.00 C ATOM 266 O GLY A 24 3.366 9.221 -2.099 1.00 0.00 O ATOM 0 H GLY A 24 6.144 6.516 -2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.219 8.461 -3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.821 7.521 -4.262 1.00 0.00 H new ATOM 270 N ILE A 25 3.721 7.178 -1.220 1.00 0.00 N ATOM 271 CA ILE A 25 3.042 7.482 0.040 1.00 0.00 C ATOM 272 C ILE A 25 3.732 6.804 1.222 1.00 0.00 C ATOM 273 O ILE A 25 4.528 5.880 1.041 1.00 0.00 O ATOM 274 CB ILE A 25 1.563 7.037 0.010 1.00 0.00 C ATOM 275 CG1 ILE A 25 1.455 5.574 -0.433 1.00 0.00 C ATOM 276 CG2 ILE A 25 0.748 7.936 -0.910 1.00 0.00 C ATOM 277 CD1 ILE A 25 0.408 4.788 0.324 1.00 0.00 C ATOM 0 H ILE A 25 4.096 6.231 -1.279 1.00 0.00 H new ATOM 0 HA ILE A 25 3.090 8.564 0.163 1.00 0.00 H new ATOM 0 HB ILE A 25 1.157 7.125 1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.222 5.542 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.424 5.091 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.290 7.605 -0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.799 8.964 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.152 7.883 -1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.388 3.762 -0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.650 4.789 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.570 5.246 0.174 1.00 0.00 H new ATOM 289 N SER A 26 3.411 7.264 2.431 1.00 0.00 N ATOM 290 CA SER A 26 3.987 6.698 3.647 1.00 0.00 C ATOM 291 C SER A 26 2.952 5.859 4.395 1.00 0.00 C ATOM 292 O SER A 26 1.795 6.264 4.535 1.00 0.00 O ATOM 293 CB SER A 26 4.513 7.814 4.555 1.00 0.00 C ATOM 294 OG SER A 26 5.203 7.282 5.674 1.00 0.00 O ATOM 0 H SER A 26 2.755 8.028 2.593 1.00 0.00 H new ATOM 0 HA SER A 26 4.817 6.052 3.363 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.180 8.464 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.682 8.431 4.897 1.00 0.00 H new ATOM 0 HG SER A 26 5.530 8.015 6.236 1.00 0.00 H new ATOM 300 N ILE A 27 3.377 4.692 4.877 1.00 0.00 N ATOM 301 CA ILE A 27 2.487 3.795 5.614 1.00 0.00 C ATOM 302 C ILE A 27 2.985 3.570 7.039 1.00 0.00 C ATOM 303 O ILE A 27 4.183 3.671 7.314 1.00 0.00 O ATOM 304 CB ILE A 27 2.335 2.428 4.909 1.00 0.00 C ATOM 305 CG1 ILE A 27 3.706 1.835 4.572 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.487 2.566 3.651 1.00 0.00 C ATOM 307 CD1 ILE A 27 3.664 0.357 4.242 1.00 0.00 C ATOM 0 H ILE A 27 4.330 4.346 4.771 1.00 0.00 H new ATOM 0 HA ILE A 27 1.513 4.283 5.645 1.00 0.00 H new ATOM 0 HB ILE A 27 1.828 1.747 5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.128 2.376 3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.377 1.991 5.416 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.391 1.593 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.498 2.938 3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.965 3.266 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.671 0.006 4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.272 -0.195 5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.019 0.195 3.378 1.00 0.00 H new ATOM 319 N THR A 28 2.056 3.268 7.944 1.00 0.00 N ATOM 320 CA THR A 28 2.398 3.032 9.344 1.00 0.00 C ATOM 321 C THR A 28 1.535 1.921 9.946 1.00 0.00 C ATOM 322 O THR A 28 0.356 1.784 9.612 1.00 0.00 O ATOM 323 CB THR A 28 2.242 4.326 10.152 1.00 0.00 C ATOM 324 OG1 THR A 28 2.474 4.090 11.530 1.00 0.00 O ATOM 325 CG2 THR A 28 0.874 4.963 10.019 1.00 0.00 C ATOM 0 H THR A 28 1.062 3.181 7.733 1.00 0.00 H new ATOM 0 HA THR A 28 3.438 2.709 9.388 1.00 0.00 H new ATOM 0 HB THR A 28 2.982 5.010 9.737 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.371 4.928 12.027 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.837 5.873 10.617 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.687 5.208 8.974 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.113 4.267 10.370 1.00 0.00 H new ATOM 333 N GLY A 29 2.138 1.132 10.838 1.00 0.00 N ATOM 334 CA GLY A 29 1.426 0.039 11.480 1.00 0.00 C ATOM 335 C GLY A 29 2.341 -1.125 11.827 1.00 0.00 C ATOM 336 O GLY A 29 3.566 -0.985 11.803 1.00 0.00 O ATOM 0 H GLY A 29 3.111 1.233 11.127 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.948 0.405 12.389 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.632 -0.311 10.820 1.00 0.00 H new ATOM 340 N GLY A 30 1.749 -2.277 12.149 1.00 0.00 N ATOM 341 CA GLY A 30 2.540 -3.447 12.493 1.00 0.00 C ATOM 342 C GLY A 30 1.687 -4.634 12.902 1.00 0.00 C ATOM 343 O GLY A 30 1.040 -4.608 13.951 1.00 0.00 O ATOM 0 H GLY A 30 0.739 -2.419 12.177 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.158 -3.726 11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.218 -3.195 13.308 1.00 0.00 H new ATOM 347 N LYS A 31 1.690 -5.679 12.075 1.00 0.00 N ATOM 348 CA LYS A 31 0.914 -6.888 12.353 1.00 0.00 C ATOM 349 C LYS A 31 1.314 -7.509 13.693 1.00 0.00 C ATOM 350 O LYS A 31 0.462 -8.010 14.428 1.00 0.00 O ATOM 351 CB LYS A 31 1.101 -7.910 11.229 1.00 0.00 C ATOM 352 CG LYS A 31 0.105 -9.058 11.268 1.00 0.00 C ATOM 353 CD LYS A 31 -1.313 -8.583 10.995 1.00 0.00 C ATOM 354 CE LYS A 31 -2.342 -9.517 11.613 1.00 0.00 C ATOM 355 NZ LYS A 31 -3.510 -8.775 12.170 1.00 0.00 N ATOM 0 H LYS A 31 2.222 -5.713 11.205 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.137 -6.604 12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.015 -7.400 10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.111 -8.316 11.285 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.386 -9.808 10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.145 -9.541 12.244 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.445 -7.578 11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.476 -8.521 9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.688 -10.224 10.859 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.872 -10.100 12.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.278 -9.444 12.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.227 -8.288 13.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.840 -8.075 11.475 1.00 0.00 H new ATOM 369 N GLU A 32 2.611 -7.470 14.005 1.00 0.00 N ATOM 370 CA GLU A 32 3.114 -8.026 15.260 1.00 0.00 C ATOM 371 C GLU A 32 2.578 -7.244 16.460 1.00 0.00 C ATOM 372 O GLU A 32 2.378 -7.807 17.536 1.00 0.00 O ATOM 373 CB GLU A 32 4.645 -8.025 15.273 1.00 0.00 C ATOM 374 CG GLU A 32 5.260 -9.303 14.721 1.00 0.00 C ATOM 375 CD GLU A 32 6.462 -9.772 15.520 1.00 0.00 C ATOM 376 OE1 GLU A 32 6.295 -10.087 16.718 1.00 0.00 O ATOM 377 OE2 GLU A 32 7.569 -9.827 14.946 1.00 0.00 O ATOM 0 H GLU A 32 3.329 -7.060 13.407 1.00 0.00 H new ATOM 0 HA GLU A 32 2.762 -9.055 15.335 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.004 -7.177 14.690 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.991 -7.878 16.296 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.506 -10.090 14.713 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.560 -9.139 13.686 1.00 0.00 H new ATOM 384 N HIS A 33 2.339 -5.945 16.267 1.00 0.00 N ATOM 385 CA HIS A 33 1.818 -5.096 17.336 1.00 0.00 C ATOM 386 C HIS A 33 0.339 -5.391 17.602 1.00 0.00 C ATOM 387 O HIS A 33 -0.144 -5.212 18.721 1.00 0.00 O ATOM 388 CB HIS A 33 1.991 -3.616 16.982 1.00 0.00 C ATOM 389 CG HIS A 33 3.388 -3.104 17.174 1.00 0.00 C ATOM 390 ND1 HIS A 33 4.052 -3.159 18.382 1.00 0.00 N ATOM 391 CD2 HIS A 33 4.243 -2.514 16.304 1.00 0.00 C ATOM 392 CE1 HIS A 33 5.252 -2.623 18.248 1.00 0.00 C ATOM 393 NE2 HIS A 33 5.393 -2.225 16.997 1.00 0.00 N ATOM 0 H HIS A 33 2.498 -5.461 15.383 1.00 0.00 H new ATOM 0 HA HIS A 33 2.386 -5.317 18.240 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.699 -3.465 15.943 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.310 -3.024 17.594 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.055 -2.309 15.260 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.992 -2.527 19.029 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.222 -1.776 16.608 1.00 0.00 H new ATOM 402 N GLY A 34 -0.374 -5.841 16.568 1.00 0.00 N ATOM 403 CA GLY A 34 -1.789 -6.148 16.711 1.00 0.00 C ATOM 404 C GLY A 34 -2.688 -5.184 15.951 1.00 0.00 C ATOM 405 O GLY A 34 -3.868 -5.045 16.277 1.00 0.00 O ATOM 0 H GLY A 34 0.004 -5.998 15.634 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.972 -7.162 16.357 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.054 -6.127 17.768 1.00 0.00 H new ATOM 409 N VAL A 35 -2.137 -4.521 14.933 1.00 0.00 N ATOM 410 CA VAL A 35 -2.905 -3.574 14.130 1.00 0.00 C ATOM 411 C VAL A 35 -2.383 -3.523 12.691 1.00 0.00 C ATOM 412 O VAL A 35 -1.178 -3.393 12.464 1.00 0.00 O ATOM 413 CB VAL A 35 -2.877 -2.156 14.745 1.00 0.00 C ATOM 414 CG1 VAL A 35 -1.454 -1.621 14.819 1.00 0.00 C ATOM 415 CG2 VAL A 35 -3.772 -1.207 13.957 1.00 0.00 C ATOM 0 H VAL A 35 -1.163 -4.623 14.647 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.937 -3.926 14.120 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.264 -2.223 15.762 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.463 -0.622 15.255 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.848 -2.282 15.439 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.030 -1.575 13.816 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.737 -0.215 14.408 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.423 -1.150 12.926 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.797 -1.577 13.973 1.00 0.00 H new ATOM 425 N PRO A 36 -3.285 -3.627 11.694 1.00 0.00 N ATOM 426 CA PRO A 36 -2.905 -3.591 10.276 1.00 0.00 C ATOM 427 C PRO A 36 -2.241 -2.271 9.889 1.00 0.00 C ATOM 428 O PRO A 36 -2.457 -1.245 10.537 1.00 0.00 O ATOM 429 CB PRO A 36 -4.239 -3.761 9.533 1.00 0.00 C ATOM 430 CG PRO A 36 -5.175 -4.339 10.540 1.00 0.00 C ATOM 431 CD PRO A 36 -4.739 -3.790 11.867 1.00 0.00 C ATOM 0 HA PRO A 36 -2.173 -4.362 10.034 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.605 -2.806 9.157 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.129 -4.421 8.672 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.206 -4.060 10.321 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.132 -5.428 10.534 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.228 -2.842 12.092 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.975 -4.472 12.684 1.00 0.00 H new ATOM 439 N ILE A 37 -1.432 -2.304 8.831 1.00 0.00 N ATOM 440 CA ILE A 37 -0.737 -1.110 8.359 1.00 0.00 C ATOM 441 C ILE A 37 -1.648 -0.271 7.463 1.00 0.00 C ATOM 442 O ILE A 37 -2.321 -0.804 6.577 1.00 0.00 O ATOM 443 CB ILE A 37 0.553 -1.471 7.586 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.420 -2.438 8.402 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.340 -0.213 7.245 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.284 -3.886 7.979 1.00 0.00 C ATOM 0 H ILE A 37 -1.243 -3.145 8.285 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.462 -0.530 9.240 1.00 0.00 H new ATOM 0 HB ILE A 37 0.268 -1.965 6.657 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.464 -2.139 8.312 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.153 -2.350 9.455 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.244 -0.486 6.701 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.728 0.442 6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.612 0.306 8.164 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.927 -4.509 8.601 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.248 -4.203 8.096 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.579 -3.989 6.935 1.00 0.00 H new ATOM 458 N LEU A 38 -1.670 1.041 7.703 1.00 0.00 N ATOM 459 CA LEU A 38 -2.504 1.951 6.920 1.00 0.00 C ATOM 460 C LEU A 38 -1.714 3.182 6.461 1.00 0.00 C ATOM 461 O LEU A 38 -0.675 3.516 7.033 1.00 0.00 O ATOM 462 CB LEU A 38 -3.735 2.380 7.734 1.00 0.00 C ATOM 463 CG LEU A 38 -3.443 2.930 9.134 1.00 0.00 C ATOM 464 CD1 LEU A 38 -4.443 4.018 9.495 1.00 0.00 C ATOM 465 CD2 LEU A 38 -3.477 1.810 10.164 1.00 0.00 C ATOM 0 H LEU A 38 -1.120 1.496 8.432 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.835 1.417 6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.275 3.140 7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.401 1.523 7.831 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.444 3.366 9.134 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.222 4.399 10.492 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.373 4.831 8.772 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.452 3.605 9.479 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.268 2.218 11.153 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.463 1.346 10.165 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.725 1.062 9.913 1.00 0.00 H new ATOM 477 N ILE A 39 -2.220 3.850 5.421 1.00 0.00 N ATOM 478 CA ILE A 39 -1.574 5.043 4.872 1.00 0.00 C ATOM 479 C ILE A 39 -1.898 6.276 5.712 1.00 0.00 C ATOM 480 O ILE A 39 -3.068 6.616 5.901 1.00 0.00 O ATOM 481 CB ILE A 39 -2.013 5.312 3.414 1.00 0.00 C ATOM 482 CG1 ILE A 39 -1.887 4.041 2.567 1.00 0.00 C ATOM 483 CG2 ILE A 39 -1.183 6.439 2.809 1.00 0.00 C ATOM 484 CD1 ILE A 39 -2.666 4.095 1.270 1.00 0.00 C ATOM 0 H ILE A 39 -3.079 3.582 4.941 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.501 4.853 4.892 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.060 5.616 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.835 3.868 2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.232 3.189 3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.504 6.617 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.321 7.348 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.129 6.159 2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.529 3.161 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.725 4.237 1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.306 4.926 0.664 1.00 0.00 H new ATOM 496 N SER A 40 -0.856 6.940 6.208 1.00 0.00 N ATOM 497 CA SER A 40 -1.024 8.138 7.029 1.00 0.00 C ATOM 498 C SER A 40 -0.619 9.407 6.270 1.00 0.00 C ATOM 499 O SER A 40 -1.163 10.483 6.524 1.00 0.00 O ATOM 500 CB SER A 40 -0.202 8.015 8.312 1.00 0.00 C ATOM 501 OG SER A 40 -1.018 7.636 9.406 1.00 0.00 O ATOM 0 H SER A 40 0.115 6.668 6.056 1.00 0.00 H new ATOM 0 HA SER A 40 -2.082 8.221 7.280 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.589 7.278 8.172 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.284 8.966 8.529 1.00 0.00 H new ATOM 0 HG SER A 40 -0.468 7.562 10.214 1.00 0.00 H new ATOM 507 N GLU A 41 0.342 9.283 5.349 1.00 0.00 N ATOM 508 CA GLU A 41 0.809 10.432 4.573 1.00 0.00 C ATOM 509 C GLU A 41 0.842 10.122 3.078 1.00 0.00 C ATOM 510 O GLU A 41 0.951 8.962 2.675 1.00 0.00 O ATOM 511 CB GLU A 41 2.203 10.859 5.040 1.00 0.00 C ATOM 512 CG GLU A 41 2.188 11.991 6.059 1.00 0.00 C ATOM 513 CD GLU A 41 3.397 11.971 6.977 1.00 0.00 C ATOM 514 OE1 GLU A 41 3.763 10.877 7.458 1.00 0.00 O ATOM 515 OE2 GLU A 41 3.978 13.051 7.215 1.00 0.00 O ATOM 0 H GLU A 41 0.808 8.404 5.125 1.00 0.00 H new ATOM 0 HA GLU A 41 0.105 11.247 4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.710 9.998 5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.787 11.170 4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.151 12.946 5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.281 11.922 6.659 1.00 0.00 H new ATOM 522 N ILE A 42 0.751 11.174 2.263 1.00 0.00 N ATOM 523 CA ILE A 42 0.772 11.033 0.811 1.00 0.00 C ATOM 524 C ILE A 42 1.782 11.997 0.188 1.00 0.00 C ATOM 525 O ILE A 42 1.611 13.216 0.254 1.00 0.00 O ATOM 526 CB ILE A 42 -0.624 11.291 0.200 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.683 10.435 0.905 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.615 11.012 -1.299 1.00 0.00 C ATOM 529 CD1 ILE A 42 -3.096 10.722 0.445 1.00 0.00 C ATOM 0 H ILE A 42 0.662 12.137 2.588 1.00 0.00 H new ATOM 0 HA ILE A 42 1.067 10.007 0.590 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.877 12.341 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.460 9.382 0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.618 10.603 1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.607 11.200 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.109 11.665 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.341 9.972 -1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.792 10.081 0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.338 11.767 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.177 10.526 -0.624 1.00 0.00 H new ATOM 541 N HIS A 43 2.835 11.442 -0.411 1.00 0.00 N ATOM 542 CA HIS A 43 3.876 12.254 -1.041 1.00 0.00 C ATOM 543 C HIS A 43 3.450 12.697 -2.442 1.00 0.00 C ATOM 544 O HIS A 43 3.043 11.874 -3.262 1.00 0.00 O ATOM 545 CB HIS A 43 5.195 11.476 -1.120 1.00 0.00 C ATOM 546 CG HIS A 43 5.570 10.787 0.159 1.00 0.00 C ATOM 547 ND1 HIS A 43 5.646 11.437 1.374 1.00 0.00 N ATOM 548 CD2 HIS A 43 5.891 9.494 0.408 1.00 0.00 C ATOM 549 CE1 HIS A 43 5.999 10.576 2.312 1.00 0.00 C ATOM 550 NE2 HIS A 43 6.153 9.390 1.752 1.00 0.00 N ATOM 0 H HIS A 43 2.990 10.436 -0.473 1.00 0.00 H new ATOM 0 HA HIS A 43 4.025 13.141 -0.425 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.120 10.733 -1.914 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.994 12.162 -1.400 1.00 0.00 H new ATOM 0 HD1 HIS A 43 5.459 12.428 1.525 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.933 8.694 -0.316 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.138 10.803 3.359 1.00 0.00 H new ATOM 559 N PRO A 44 3.537 14.011 -2.731 1.00 0.00 N ATOM 560 CA PRO A 44 3.157 14.563 -4.038 1.00 0.00 C ATOM 561 C PRO A 44 4.179 14.254 -5.131 1.00 0.00 C ATOM 562 O PRO A 44 5.338 13.948 -4.846 1.00 0.00 O ATOM 563 CB PRO A 44 3.094 16.068 -3.780 1.00 0.00 C ATOM 564 CG PRO A 44 4.047 16.303 -2.658 1.00 0.00 C ATOM 565 CD PRO A 44 4.010 15.062 -1.805 1.00 0.00 C ATOM 0 HA PRO A 44 2.223 14.134 -4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.380 16.634 -4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.085 16.382 -3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.053 16.486 -3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.758 17.181 -2.080 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.994 14.825 -1.400 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.336 15.180 -0.956 1.00 0.00 H new ATOM 573 N GLY A 45 3.735 14.342 -6.386 1.00 0.00 N ATOM 574 CA GLY A 45 4.613 14.075 -7.515 1.00 0.00 C ATOM 575 C GLY A 45 4.905 12.595 -7.697 1.00 0.00 C ATOM 576 O GLY A 45 5.996 12.221 -8.128 1.00 0.00 O ATOM 0 H GLY A 45 2.780 14.594 -6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.156 14.465 -8.425 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.552 14.611 -7.374 1.00 0.00 H new ATOM 580 N GLN A 46 3.927 11.753 -7.367 1.00 0.00 N ATOM 581 CA GLN A 46 4.080 10.308 -7.492 1.00 0.00 C ATOM 582 C GLN A 46 2.784 9.672 -7.997 1.00 0.00 C ATOM 583 O GLN A 46 1.751 10.339 -8.073 1.00 0.00 O ATOM 584 CB GLN A 46 4.474 9.705 -6.141 1.00 0.00 C ATOM 585 CG GLN A 46 5.911 9.207 -6.098 1.00 0.00 C ATOM 586 CD GLN A 46 6.735 9.889 -5.020 1.00 0.00 C ATOM 587 OE1 GLN A 46 7.406 9.229 -4.227 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.685 11.217 -4.983 1.00 0.00 N ATOM 0 H GLN A 46 3.019 12.050 -7.010 1.00 0.00 H new ATOM 0 HA GLN A 46 4.869 10.103 -8.216 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.333 10.454 -5.362 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.803 8.877 -5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.913 8.131 -5.925 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.379 9.375 -7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.116 11.725 -5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.216 11.728 -4.278 1.00 0.00 H new ATOM 597 N PRO A 47 2.818 8.367 -8.347 1.00 0.00 N ATOM 598 CA PRO A 47 1.636 7.648 -8.842 1.00 0.00 C ATOM 599 C PRO A 47 0.432 7.764 -7.906 1.00 0.00 C ATOM 600 O PRO A 47 -0.711 7.744 -8.359 1.00 0.00 O ATOM 601 CB PRO A 47 2.102 6.193 -8.919 1.00 0.00 C ATOM 602 CG PRO A 47 3.581 6.275 -9.064 1.00 0.00 C ATOM 603 CD PRO A 47 4.006 7.492 -8.289 1.00 0.00 C ATOM 0 HA PRO A 47 1.295 8.057 -9.793 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.822 5.640 -8.022 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.649 5.677 -9.766 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.062 5.377 -8.675 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.866 6.361 -10.113 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.271 7.242 -7.262 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.878 7.969 -8.736 1.00 0.00 H new ATOM 611 N ALA A 48 0.696 7.886 -6.602 1.00 0.00 N ATOM 612 CA ALA A 48 -0.370 8.007 -5.608 1.00 0.00 C ATOM 613 C ALA A 48 -1.279 9.195 -5.917 1.00 0.00 C ATOM 614 O ALA A 48 -2.504 9.076 -5.881 1.00 0.00 O ATOM 615 CB ALA A 48 0.221 8.147 -4.214 1.00 0.00 C ATOM 0 H ALA A 48 1.638 7.903 -6.212 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.972 7.099 -5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.584 8.236 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.823 7.268 -3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.848 9.037 -4.172 1.00 0.00 H new ATOM 621 N ASP A 49 -0.668 10.338 -6.226 1.00 0.00 N ATOM 622 CA ASP A 49 -1.421 11.547 -6.550 1.00 0.00 C ATOM 623 C ASP A 49 -2.111 11.409 -7.905 1.00 0.00 C ATOM 624 O ASP A 49 -3.260 11.817 -8.071 1.00 0.00 O ATOM 625 CB ASP A 49 -0.494 12.766 -6.556 1.00 0.00 C ATOM 626 CG ASP A 49 -1.257 14.075 -6.639 1.00 0.00 C ATOM 627 OD1 ASP A 49 -1.944 14.424 -5.657 1.00 0.00 O ATOM 628 OD2 ASP A 49 -1.166 14.750 -7.685 1.00 0.00 O ATOM 0 H ASP A 49 0.345 10.451 -6.259 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.185 11.686 -5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.114 12.760 -5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.191 12.694 -7.401 1.00 0.00 H new ATOM 633 N ARG A 50 -1.398 10.830 -8.871 1.00 0.00 N ATOM 634 CA ARG A 50 -1.936 10.634 -10.218 1.00 0.00 C ATOM 635 C ARG A 50 -3.126 9.671 -10.214 1.00 0.00 C ATOM 636 O ARG A 50 -4.006 9.766 -11.071 1.00 0.00 O ATOM 637 CB ARG A 50 -0.849 10.099 -11.153 1.00 0.00 C ATOM 638 CG ARG A 50 0.308 11.064 -11.370 1.00 0.00 C ATOM 639 CD ARG A 50 1.392 10.449 -12.245 1.00 0.00 C ATOM 640 NE ARG A 50 1.196 10.752 -13.664 1.00 0.00 N ATOM 641 CZ ARG A 50 1.783 10.081 -14.658 1.00 0.00 C ATOM 642 NH1 ARG A 50 2.607 9.070 -14.396 1.00 0.00 N ATOM 643 NH2 ARG A 50 1.547 10.421 -15.920 1.00 0.00 N ATOM 0 H ARG A 50 -0.445 10.488 -8.746 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.281 11.604 -10.576 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.460 9.166 -10.745 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.298 9.862 -12.118 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.062 11.978 -11.835 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.733 11.346 -10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.367 10.820 -11.927 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.401 9.368 -12.104 1.00 0.00 H new ATOM 0 HE ARG A 50 0.573 11.522 -13.908 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.794 8.802 -13.430 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.051 8.563 -15.161 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.917 11.195 -16.130 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.996 9.908 -16.679 1.00 0.00 H new ATOM 657 N CYS A 51 -3.147 8.741 -9.256 1.00 0.00 N ATOM 658 CA CYS A 51 -4.230 7.764 -9.160 1.00 0.00 C ATOM 659 C CYS A 51 -5.533 8.416 -8.689 1.00 0.00 C ATOM 660 O CYS A 51 -6.622 7.946 -9.020 1.00 0.00 O ATOM 661 CB CYS A 51 -3.843 6.633 -8.201 1.00 0.00 C ATOM 662 SG CYS A 51 -3.952 4.981 -8.926 1.00 0.00 S ATOM 0 H CYS A 51 -2.428 8.645 -8.539 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.394 7.355 -10.157 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.823 6.799 -7.853 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.490 6.677 -7.325 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.788 4.405 -8.871 1.00 0.00 H new ATOM 668 N GLY A 52 -5.418 9.498 -7.912 1.00 0.00 N ATOM 669 CA GLY A 52 -6.598 10.186 -7.408 1.00 0.00 C ATOM 670 C GLY A 52 -7.467 9.306 -6.517 1.00 0.00 C ATOM 671 O GLY A 52 -8.632 9.624 -6.273 1.00 0.00 O ATOM 0 H GLY A 52 -4.529 9.908 -7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.286 11.066 -6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.193 10.540 -8.250 1.00 0.00 H new ATOM 675 N GLY A 53 -6.900 8.196 -6.035 1.00 0.00 N ATOM 676 CA GLY A 53 -7.641 7.282 -5.178 1.00 0.00 C ATOM 677 C GLY A 53 -6.984 7.070 -3.825 1.00 0.00 C ATOM 678 O GLY A 53 -7.672 6.848 -2.827 1.00 0.00 O ATOM 0 H GLY A 53 -5.938 7.915 -6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.649 7.669 -5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.740 6.321 -5.682 1.00 0.00 H new ATOM 682 N LEU A 54 -5.653 7.137 -3.786 1.00 0.00 N ATOM 683 CA LEU A 54 -4.916 6.948 -2.540 1.00 0.00 C ATOM 684 C LEU A 54 -5.166 8.117 -1.584 1.00 0.00 C ATOM 685 O LEU A 54 -4.479 9.138 -1.642 1.00 0.00 O ATOM 686 CB LEU A 54 -3.417 6.799 -2.824 1.00 0.00 C ATOM 687 CG LEU A 54 -2.771 5.525 -2.274 1.00 0.00 C ATOM 688 CD1 LEU A 54 -3.276 4.300 -3.022 1.00 0.00 C ATOM 689 CD2 LEU A 54 -1.255 5.621 -2.367 1.00 0.00 C ATOM 0 H LEU A 54 -5.067 7.320 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.272 6.034 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.264 6.828 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.897 7.660 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.049 5.421 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.804 3.405 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.357 4.224 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.029 4.392 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.808 4.709 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.962 5.748 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.908 6.476 -1.786 1.00 0.00 H new ATOM 701 N HIS A 55 -6.163 7.958 -0.713 1.00 0.00 N ATOM 702 CA HIS A 55 -6.519 8.996 0.251 1.00 0.00 C ATOM 703 C HIS A 55 -5.913 8.708 1.624 1.00 0.00 C ATOM 704 O HIS A 55 -5.607 7.561 1.951 1.00 0.00 O ATOM 705 CB HIS A 55 -8.045 9.118 0.369 1.00 0.00 C ATOM 706 CG HIS A 55 -8.730 7.838 0.750 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.526 7.204 1.959 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.612 7.065 0.068 1.00 0.00 C ATOM 709 CE1 HIS A 55 -9.246 6.099 2.002 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.914 5.992 0.869 1.00 0.00 N ATOM 0 H HIS A 55 -6.739 7.118 -0.656 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.112 9.940 -0.112 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.282 9.880 1.111 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.447 9.464 -0.583 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.003 7.258 -0.920 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.282 5.401 2.825 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.552 5.234 0.627 1.00 0.00 H new ATOM 719 N VAL A 56 -5.754 9.762 2.425 1.00 0.00 N ATOM 720 CA VAL A 56 -5.196 9.627 3.769 1.00 0.00 C ATOM 721 C VAL A 56 -6.114 8.784 4.648 1.00 0.00 C ATOM 722 O VAL A 56 -7.334 8.963 4.637 1.00 0.00 O ATOM 723 CB VAL A 56 -4.977 11.001 4.442 1.00 0.00 C ATOM 724 CG1 VAL A 56 -4.192 10.847 5.738 1.00 0.00 C ATOM 725 CG2 VAL A 56 -4.266 11.959 3.498 1.00 0.00 C ATOM 0 H VAL A 56 -6.003 10.717 2.166 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.229 9.135 3.663 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.955 11.420 4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.049 11.826 6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.744 10.203 6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.221 10.401 5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.123 12.919 3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.296 11.545 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.869 12.100 2.601 1.00 0.00 H new ATOM 735 N GLY A 57 -5.522 7.860 5.399 1.00 0.00 N ATOM 736 CA GLY A 57 -6.301 6.995 6.266 1.00 0.00 C ATOM 737 C GLY A 57 -6.827 5.775 5.533 1.00 0.00 C ATOM 738 O GLY A 57 -8.019 5.470 5.595 1.00 0.00 O ATOM 0 H GLY A 57 -4.516 7.695 5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.685 6.675 7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.138 7.557 6.681 1.00 0.00 H new ATOM 742 N ASP A 58 -5.929 5.078 4.834 1.00 0.00 N ATOM 743 CA ASP A 58 -6.295 3.884 4.078 1.00 0.00 C ATOM 744 C ASP A 58 -5.689 2.637 4.716 1.00 0.00 C ATOM 745 O ASP A 58 -4.476 2.561 4.909 1.00 0.00 O ATOM 746 CB ASP A 58 -5.825 4.009 2.624 1.00 0.00 C ATOM 747 CG ASP A 58 -6.972 3.963 1.632 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.931 3.194 1.861 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.913 4.698 0.623 1.00 0.00 O ATOM 0 H ASP A 58 -4.940 5.323 4.777 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.381 3.790 4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.281 4.946 2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.125 3.203 2.402 1.00 0.00 H new ATOM 754 N ALA A 59 -6.536 1.662 5.040 1.00 0.00 N ATOM 755 CA ALA A 59 -6.074 0.424 5.659 1.00 0.00 C ATOM 756 C ALA A 59 -5.752 -0.630 4.605 1.00 0.00 C ATOM 757 O ALA A 59 -6.614 -1.021 3.818 1.00 0.00 O ATOM 758 CB ALA A 59 -7.117 -0.096 6.636 1.00 0.00 C ATOM 0 H ALA A 59 -7.543 1.706 4.884 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.157 0.638 6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.760 -1.020 7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.290 0.648 7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.049 -0.289 6.105 1.00 0.00 H new ATOM 764 N ILE A 60 -4.500 -1.082 4.595 1.00 0.00 N ATOM 765 CA ILE A 60 -4.051 -2.086 3.633 1.00 0.00 C ATOM 766 C ILE A 60 -4.589 -3.474 3.966 1.00 0.00 C ATOM 767 O ILE A 60 -4.710 -3.845 5.135 1.00 0.00 O ATOM 768 CB ILE A 60 -2.510 -2.168 3.569 1.00 0.00 C ATOM 769 CG1 ILE A 60 -1.890 -0.774 3.428 1.00 0.00 C ATOM 770 CG2 ILE A 60 -2.082 -3.063 2.414 1.00 0.00 C ATOM 771 CD1 ILE A 60 -0.429 -0.721 3.825 1.00 0.00 C ATOM 0 H ILE A 60 -3.777 -0.768 5.243 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.442 -1.767 2.667 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.150 -2.601 4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.990 -0.443 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.452 -0.071 4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.994 -3.114 2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.488 -4.064 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.458 -2.652 1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.055 0.295 3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.324 -1.021 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.145 -1.399 3.193 1.00 0.00 H new ATOM 783 N LEU A 61 -4.890 -4.243 2.920 1.00 0.00 N ATOM 784 CA LEU A 61 -5.393 -5.603 3.079 1.00 0.00 C ATOM 785 C LEU A 61 -4.587 -6.579 2.217 1.00 0.00 C ATOM 786 O LEU A 61 -4.069 -7.577 2.722 1.00 0.00 O ATOM 787 CB LEU A 61 -6.880 -5.674 2.713 1.00 0.00 C ATOM 788 CG LEU A 61 -7.835 -5.056 3.741 1.00 0.00 C ATOM 789 CD1 LEU A 61 -9.278 -5.174 3.272 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.660 -5.721 5.099 1.00 0.00 C ATOM 0 H LEU A 61 -4.793 -3.943 1.950 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.279 -5.889 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.027 -5.172 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.153 -6.719 2.570 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.592 -3.998 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.940 -4.730 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.396 -4.651 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.533 -6.226 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.346 -5.270 5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.874 -6.786 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.634 -5.584 5.442 1.00 0.00 H new ATOM 802 N ALA A 62 -4.478 -6.284 0.917 1.00 0.00 N ATOM 803 CA ALA A 62 -3.728 -7.142 -0.001 1.00 0.00 C ATOM 804 C ALA A 62 -2.979 -6.327 -1.058 1.00 0.00 C ATOM 805 O ALA A 62 -3.453 -5.281 -1.506 1.00 0.00 O ATOM 806 CB ALA A 62 -4.659 -8.145 -0.667 1.00 0.00 C ATOM 0 H ALA A 62 -4.897 -5.463 0.481 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.984 -7.681 0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.087 -8.776 -1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.130 -8.766 0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.428 -7.612 -1.227 1.00 0.00 H new ATOM 812 N VAL A 63 -1.803 -6.824 -1.452 1.00 0.00 N ATOM 813 CA VAL A 63 -0.975 -6.164 -2.460 1.00 0.00 C ATOM 814 C VAL A 63 -0.531 -7.163 -3.525 1.00 0.00 C ATOM 815 O VAL A 63 0.181 -8.124 -3.227 1.00 0.00 O ATOM 816 CB VAL A 63 0.275 -5.511 -1.832 1.00 0.00 C ATOM 817 CG1 VAL A 63 1.008 -4.657 -2.859 1.00 0.00 C ATOM 818 CG2 VAL A 63 -0.106 -4.684 -0.612 1.00 0.00 C ATOM 0 H VAL A 63 -1.403 -7.687 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.585 -5.384 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 63 0.949 -6.304 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.886 -4.206 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.319 -5.282 -3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.344 -3.872 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.789 -4.233 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.802 -3.899 -0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.578 -5.327 0.131 1.00 0.00 H new ATOM 828 N ASN A 64 -0.967 -6.935 -4.767 1.00 0.00 N ATOM 829 CA ASN A 64 -0.631 -7.817 -5.885 1.00 0.00 C ATOM 830 C ASN A 64 -1.069 -9.255 -5.590 1.00 0.00 C ATOM 831 O ASN A 64 -0.387 -10.213 -5.960 1.00 0.00 O ATOM 832 CB ASN A 64 0.874 -7.764 -6.186 1.00 0.00 C ATOM 833 CG ASN A 64 1.183 -8.039 -7.650 1.00 0.00 C ATOM 834 OD1 ASN A 64 1.058 -9.171 -8.118 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.592 -7.004 -8.383 1.00 0.00 N ATOM 0 H ASN A 64 -1.556 -6.143 -5.023 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.169 -7.468 -6.766 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.262 -6.782 -5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.392 -8.495 -5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.814 -7.134 -9.370 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.683 -6.082 -7.957 1.00 0.00 H new ATOM 842 N GLY A 65 -2.213 -9.397 -4.914 1.00 0.00 N ATOM 843 CA GLY A 65 -2.725 -10.717 -4.576 1.00 0.00 C ATOM 844 C GLY A 65 -2.170 -11.268 -3.265 1.00 0.00 C ATOM 845 O GLY A 65 -2.727 -12.216 -2.706 1.00 0.00 O ATOM 0 H GLY A 65 -2.792 -8.620 -4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.812 -10.670 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.484 -11.409 -5.383 1.00 0.00 H new ATOM 849 N VAL A 66 -1.078 -10.682 -2.770 1.00 0.00 N ATOM 850 CA VAL A 66 -0.464 -11.131 -1.523 1.00 0.00 C ATOM 851 C VAL A 66 -1.129 -10.476 -0.313 1.00 0.00 C ATOM 852 O VAL A 66 -1.382 -9.270 -0.310 1.00 0.00 O ATOM 853 CB VAL A 66 1.049 -10.827 -1.500 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.709 -11.468 -0.287 1.00 0.00 C ATOM 855 CG2 VAL A 66 1.711 -11.303 -2.787 1.00 0.00 C ATOM 0 H VAL A 66 -0.603 -9.897 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.608 -12.210 -1.469 1.00 0.00 H new ATOM 0 HB VAL A 66 1.179 -9.747 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.775 -11.241 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.257 -11.074 0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.568 -12.548 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.777 -11.080 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.569 -12.378 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.261 -10.792 -3.638 1.00 0.00 H new ATOM 865 N ASN A 67 -1.411 -11.282 0.711 1.00 0.00 N ATOM 866 CA ASN A 67 -2.050 -10.790 1.929 1.00 0.00 C ATOM 867 C ASN A 67 -1.041 -10.084 2.832 1.00 0.00 C ATOM 868 O ASN A 67 0.034 -10.616 3.109 1.00 0.00 O ATOM 869 CB ASN A 67 -2.707 -11.948 2.692 1.00 0.00 C ATOM 870 CG ASN A 67 -3.881 -11.496 3.544 1.00 0.00 C ATOM 871 OD1 ASN A 67 -4.024 -10.311 3.847 1.00 0.00 O ATOM 872 ND2 ASN A 67 -4.729 -12.441 3.940 1.00 0.00 N ATOM 0 H ASN A 67 -1.206 -12.281 0.720 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.816 -10.071 1.638 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.048 -12.700 1.980 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.963 -12.426 3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.534 -12.195 4.517 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.575 -13.412 3.667 1.00 0.00 H new ATOM 879 N LEU A 68 -1.401 -8.888 3.296 1.00 0.00 N ATOM 880 CA LEU A 68 -0.530 -8.114 4.180 1.00 0.00 C ATOM 881 C LEU A 68 -0.788 -8.464 5.647 1.00 0.00 C ATOM 882 O LEU A 68 0.107 -8.348 6.484 1.00 0.00 O ATOM 883 CB LEU A 68 -0.727 -6.611 3.961 1.00 0.00 C ATOM 884 CG LEU A 68 0.560 -5.777 3.995 1.00 0.00 C ATOM 885 CD1 LEU A 68 1.169 -5.674 2.605 1.00 0.00 C ATOM 886 CD2 LEU A 68 0.288 -4.390 4.564 1.00 0.00 C ATOM 0 H LEU A 68 -2.288 -8.435 3.075 1.00 0.00 H new ATOM 0 HA LEU A 68 0.501 -8.372 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.214 -6.460 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.407 -6.234 4.725 1.00 0.00 H new ATOM 0 HG LEU A 68 1.275 -6.280 4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.081 -5.079 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.405 -6.672 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.458 -5.197 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.214 -3.815 4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.446 -3.879 3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.098 -4.482 5.579 1.00 0.00 H new ATOM 898 N ARG A 69 -2.017 -8.889 5.953 1.00 0.00 N ATOM 899 CA ARG A 69 -2.390 -9.254 7.320 1.00 0.00 C ATOM 900 C ARG A 69 -1.652 -10.513 7.783 1.00 0.00 C ATOM 901 O ARG A 69 -1.435 -10.705 8.979 1.00 0.00 O ATOM 902 CB ARG A 69 -3.902 -9.475 7.422 1.00 0.00 C ATOM 903 CG ARG A 69 -4.460 -9.253 8.820 1.00 0.00 C ATOM 904 CD ARG A 69 -5.869 -8.681 8.776 1.00 0.00 C ATOM 905 NE ARG A 69 -6.564 -8.831 10.055 1.00 0.00 N ATOM 906 CZ ARG A 69 -7.612 -8.091 10.432 1.00 0.00 C ATOM 907 NH1 ARG A 69 -8.109 -7.157 9.626 1.00 0.00 N ATOM 908 NH2 ARG A 69 -8.170 -8.293 11.621 1.00 0.00 N ATOM 0 H ARG A 69 -2.770 -8.988 5.272 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.102 -8.428 7.971 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.406 -8.802 6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.134 -10.492 7.105 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.467 -10.198 9.364 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.808 -8.574 9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.823 -7.625 8.511 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.439 -9.182 7.993 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.227 -9.546 10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.690 -6.999 8.709 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.909 -6.599 9.925 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.799 -9.011 12.243 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.970 -7.730 11.911 1.00 0.00 H new ATOM 922 N ASP A 70 -1.276 -11.374 6.835 1.00 0.00 N ATOM 923 CA ASP A 70 -0.570 -12.613 7.165 1.00 0.00 C ATOM 924 C ASP A 70 0.955 -12.430 7.137 1.00 0.00 C ATOM 925 O ASP A 70 1.703 -13.410 7.179 1.00 0.00 O ATOM 926 CB ASP A 70 -0.986 -13.729 6.197 1.00 0.00 C ATOM 927 CG ASP A 70 -0.965 -15.107 6.836 1.00 0.00 C ATOM 928 OD1 ASP A 70 -1.228 -15.209 8.054 1.00 0.00 O ATOM 929 OD2 ASP A 70 -0.685 -16.088 6.115 1.00 0.00 O ATOM 0 H ASP A 70 -1.447 -11.237 5.839 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.848 -12.890 8.182 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.989 -13.523 5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.318 -13.724 5.336 1.00 0.00 H new ATOM 934 N THR A 71 1.414 -11.176 7.069 1.00 0.00 N ATOM 935 CA THR A 71 2.846 -10.876 7.040 1.00 0.00 C ATOM 936 C THR A 71 3.166 -9.664 7.920 1.00 0.00 C ATOM 937 O THR A 71 2.261 -9.018 8.453 1.00 0.00 O ATOM 938 CB THR A 71 3.303 -10.625 5.597 1.00 0.00 C ATOM 939 OG1 THR A 71 4.682 -10.305 5.551 1.00 0.00 O ATOM 940 CG2 THR A 71 2.545 -9.506 4.913 1.00 0.00 C ATOM 0 H THR A 71 0.813 -10.353 7.033 1.00 0.00 H new ATOM 0 HA THR A 71 3.387 -11.735 7.437 1.00 0.00 H new ATOM 0 HB THR A 71 3.099 -11.555 5.067 1.00 0.00 H new ATOM 0 HG1 THR A 71 5.024 -10.462 4.646 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.918 -9.382 3.896 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.483 -9.751 4.882 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.687 -8.578 5.467 1.00 0.00 H new ATOM 948 N LYS A 72 4.456 -9.361 8.070 1.00 0.00 N ATOM 949 CA LYS A 72 4.892 -8.228 8.885 1.00 0.00 C ATOM 950 C LYS A 72 5.142 -6.994 8.020 1.00 0.00 C ATOM 951 O LYS A 72 5.316 -7.104 6.807 1.00 0.00 O ATOM 952 CB LYS A 72 6.163 -8.589 9.661 1.00 0.00 C ATOM 953 CG LYS A 72 5.910 -8.946 11.118 1.00 0.00 C ATOM 954 CD LYS A 72 5.261 -10.317 11.258 1.00 0.00 C ATOM 955 CE LYS A 72 6.284 -11.388 11.612 1.00 0.00 C ATOM 956 NZ LYS A 72 6.588 -12.279 10.456 1.00 0.00 N ATOM 0 H LYS A 72 5.217 -9.885 7.637 1.00 0.00 H new ATOM 0 HA LYS A 72 4.096 -7.996 9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.651 -9.431 9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.856 -7.749 9.617 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.853 -8.932 11.665 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.267 -8.191 11.571 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.492 -10.279 12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.764 -10.582 10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.203 -10.912 11.953 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.908 -11.987 12.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.288 -12.992 10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.717 -12.754 10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.971 -11.713 9.672 1.00 0.00 H new ATOM 970 N HIS A 73 5.158 -5.818 8.652 1.00 0.00 N ATOM 971 CA HIS A 73 5.388 -4.559 7.938 1.00 0.00 C ATOM 972 C HIS A 73 6.706 -4.596 7.163 1.00 0.00 C ATOM 973 O HIS A 73 6.736 -4.302 5.968 1.00 0.00 O ATOM 974 CB HIS A 73 5.389 -3.379 8.919 1.00 0.00 C ATOM 975 CG HIS A 73 5.643 -2.047 8.274 1.00 0.00 C ATOM 976 ND1 HIS A 73 6.812 -1.335 8.454 1.00 0.00 N ATOM 977 CD2 HIS A 73 4.871 -1.295 7.453 1.00 0.00 C ATOM 978 CE1 HIS A 73 6.746 -0.204 7.774 1.00 0.00 C ATOM 979 NE2 HIS A 73 5.579 -0.155 7.158 1.00 0.00 N ATOM 0 H HIS A 73 5.015 -5.711 9.656 1.00 0.00 H new ATOM 0 HA HIS A 73 4.575 -4.427 7.224 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.428 -3.345 9.431 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.150 -3.553 9.680 1.00 0.00 H new ATOM 0 HD1 HIS A 73 7.603 -1.635 9.023 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.883 -1.545 7.097 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.516 0.552 7.730 1.00 0.00 H new ATOM 988 N LYS A 74 7.792 -4.957 7.851 1.00 0.00 N ATOM 989 CA LYS A 74 9.112 -5.032 7.223 1.00 0.00 C ATOM 990 C LYS A 74 9.099 -5.995 6.036 1.00 0.00 C ATOM 991 O LYS A 74 9.658 -5.698 4.980 1.00 0.00 O ATOM 992 CB LYS A 74 10.168 -5.474 8.242 1.00 0.00 C ATOM 993 CG LYS A 74 11.504 -4.761 8.092 1.00 0.00 C ATOM 994 CD LYS A 74 12.293 -4.769 9.394 1.00 0.00 C ATOM 995 CE LYS A 74 13.553 -5.616 9.282 1.00 0.00 C ATOM 996 NZ LYS A 74 14.780 -4.781 9.138 1.00 0.00 N ATOM 0 H LYS A 74 7.783 -5.201 8.841 1.00 0.00 H new ATOM 0 HA LYS A 74 9.366 -4.037 6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.785 -5.299 9.247 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.327 -6.548 8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.089 -5.244 7.309 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.334 -3.732 7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.563 -3.748 9.662 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.666 -5.154 10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.646 -6.246 10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.466 -6.283 8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.614 -5.399 9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.705 -4.198 8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.879 -4.163 9.969 1.00 0.00 H new ATOM 1010 N GLU A 75 8.451 -7.146 6.214 1.00 0.00 N ATOM 1011 CA GLU A 75 8.360 -8.147 5.155 1.00 0.00 C ATOM 1012 C GLU A 75 7.510 -7.634 3.993 1.00 0.00 C ATOM 1013 O GLU A 75 7.813 -7.896 2.828 1.00 0.00 O ATOM 1014 CB GLU A 75 7.767 -9.450 5.698 1.00 0.00 C ATOM 1015 CG GLU A 75 8.425 -10.699 5.135 1.00 0.00 C ATOM 1016 CD GLU A 75 9.664 -11.103 5.909 1.00 0.00 C ATOM 1017 OE1 GLU A 75 10.743 -10.535 5.640 1.00 0.00 O ATOM 1018 OE2 GLU A 75 9.554 -11.985 6.786 1.00 0.00 O ATOM 0 H GLU A 75 7.982 -7.407 7.081 1.00 0.00 H new ATOM 0 HA GLU A 75 9.368 -8.342 4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.862 -9.458 6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.701 -9.477 5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.709 -11.520 5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.692 -10.526 4.093 1.00 0.00 H new ATOM 1025 N ALA A 76 6.444 -6.900 4.319 1.00 0.00 N ATOM 1026 CA ALA A 76 5.548 -6.349 3.305 1.00 0.00 C ATOM 1027 C ALA A 76 6.269 -5.340 2.415 1.00 0.00 C ATOM 1028 O ALA A 76 5.974 -5.236 1.224 1.00 0.00 O ATOM 1029 CB ALA A 76 4.335 -5.704 3.958 1.00 0.00 C ATOM 0 H ALA A 76 6.182 -6.674 5.278 1.00 0.00 H new ATOM 0 HA ALA A 76 5.212 -7.173 2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.679 -5.299 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.794 -6.451 4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.661 -4.899 4.616 1.00 0.00 H new ATOM 1035 N VAL A 77 7.218 -4.603 2.995 1.00 0.00 N ATOM 1036 CA VAL A 77 7.984 -3.611 2.242 1.00 0.00 C ATOM 1037 C VAL A 77 8.773 -4.283 1.121 1.00 0.00 C ATOM 1038 O VAL A 77 8.871 -3.754 0.013 1.00 0.00 O ATOM 1039 CB VAL A 77 8.958 -2.827 3.151 1.00 0.00 C ATOM 1040 CG1 VAL A 77 9.603 -1.682 2.383 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.239 -2.310 4.389 1.00 0.00 C ATOM 0 H VAL A 77 7.473 -4.674 3.980 1.00 0.00 H new ATOM 0 HA VAL A 77 7.267 -2.908 1.818 1.00 0.00 H new ATOM 0 HB VAL A 77 9.746 -3.506 3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.285 -1.142 3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.157 -2.080 1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.829 -1.002 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.942 -1.761 5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.427 -1.648 4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.832 -3.151 4.951 1.00 0.00 H new ATOM 1051 N THR A 78 9.321 -5.461 1.416 1.00 0.00 N ATOM 1052 CA THR A 78 10.087 -6.218 0.433 1.00 0.00 C ATOM 1053 C THR A 78 9.186 -6.669 -0.715 1.00 0.00 C ATOM 1054 O THR A 78 9.554 -6.553 -1.885 1.00 0.00 O ATOM 1055 CB THR A 78 10.745 -7.432 1.094 1.00 0.00 C ATOM 1056 OG1 THR A 78 11.535 -7.033 2.201 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.635 -8.217 0.154 1.00 0.00 C ATOM 0 H THR A 78 9.247 -5.910 2.329 1.00 0.00 H new ATOM 0 HA THR A 78 10.866 -5.571 0.030 1.00 0.00 H new ATOM 0 HB THR A 78 9.921 -8.073 1.407 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.946 -7.823 2.611 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.069 -9.063 0.686 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.045 -8.581 -0.687 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.433 -7.572 -0.215 1.00 0.00 H new ATOM 1065 N ILE A 79 8.001 -7.177 -0.372 1.00 0.00 N ATOM 1066 CA ILE A 79 7.042 -7.640 -1.375 1.00 0.00 C ATOM 1067 C ILE A 79 6.610 -6.493 -2.287 1.00 0.00 C ATOM 1068 O ILE A 79 6.495 -6.666 -3.501 1.00 0.00 O ATOM 1069 CB ILE A 79 5.787 -8.270 -0.726 1.00 0.00 C ATOM 1070 CG1 ILE A 79 6.184 -9.365 0.271 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.861 -8.834 -1.798 1.00 0.00 C ATOM 1072 CD1 ILE A 79 5.195 -9.539 1.404 1.00 0.00 C ATOM 0 H ILE A 79 7.683 -7.278 0.592 1.00 0.00 H new ATOM 0 HA ILE A 79 7.550 -8.404 -1.963 1.00 0.00 H new ATOM 0 HB ILE A 79 5.254 -7.490 -0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.284 -10.311 -0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.163 -9.128 0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.983 -9.274 -1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.550 -8.033 -2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.388 -9.599 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.540 -10.330 2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.112 -8.606 1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.220 -9.807 0.998 1.00 0.00 H new ATOM 1084 N LEU A 80 6.380 -5.321 -1.696 1.00 0.00 N ATOM 1085 CA LEU A 80 5.971 -4.144 -2.458 1.00 0.00 C ATOM 1086 C LEU A 80 7.035 -3.775 -3.491 1.00 0.00 C ATOM 1087 O LEU A 80 6.713 -3.397 -4.618 1.00 0.00 O ATOM 1088 CB LEU A 80 5.724 -2.958 -1.522 1.00 0.00 C ATOM 1089 CG LEU A 80 4.475 -3.069 -0.645 1.00 0.00 C ATOM 1090 CD1 LEU A 80 4.711 -2.404 0.705 1.00 0.00 C ATOM 1091 CD2 LEU A 80 3.279 -2.447 -1.351 1.00 0.00 C ATOM 0 H LEU A 80 6.470 -5.162 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 80 5.044 -4.383 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.593 -2.839 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.647 -2.052 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 80 4.262 -4.124 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.813 -2.492 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.543 -2.893 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.946 -1.350 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.397 -2.533 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.481 -1.395 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.101 -2.967 -2.292 1.00 0.00 H new ATOM 1103 N SER A 81 8.305 -3.891 -3.096 1.00 0.00 N ATOM 1104 CA SER A 81 9.420 -3.574 -3.987 1.00 0.00 C ATOM 1105 C SER A 81 9.487 -4.556 -5.161 1.00 0.00 C ATOM 1106 O SER A 81 9.918 -4.193 -6.255 1.00 0.00 O ATOM 1107 CB SER A 81 10.743 -3.590 -3.214 1.00 0.00 C ATOM 1108 OG SER A 81 11.851 -3.483 -4.091 1.00 0.00 O ATOM 0 H SER A 81 8.585 -4.202 -2.166 1.00 0.00 H new ATOM 0 HA SER A 81 9.254 -2.574 -4.387 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.760 -2.766 -2.500 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.820 -4.512 -2.638 1.00 0.00 H new ATOM 0 HG SER A 81 12.682 -3.494 -3.571 1.00 0.00 H new ATOM 1114 N GLN A 82 9.059 -5.799 -4.926 1.00 0.00 N ATOM 1115 CA GLN A 82 9.073 -6.827 -5.968 1.00 0.00 C ATOM 1116 C GLN A 82 8.110 -6.479 -7.107 1.00 0.00 C ATOM 1117 O GLN A 82 8.332 -6.869 -8.254 1.00 0.00 O ATOM 1118 CB GLN A 82 8.704 -8.194 -5.381 1.00 0.00 C ATOM 1119 CG GLN A 82 9.609 -8.640 -4.241 1.00 0.00 C ATOM 1120 CD GLN A 82 9.821 -10.144 -4.213 1.00 0.00 C ATOM 1121 OE1 GLN A 82 9.630 -10.829 -5.218 1.00 0.00 O ATOM 1122 NE2 GLN A 82 10.222 -10.666 -3.059 1.00 0.00 N ATOM 0 H GLN A 82 8.700 -6.117 -4.026 1.00 0.00 H new ATOM 0 HA GLN A 82 10.084 -6.870 -6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.675 -8.159 -5.023 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.740 -8.941 -6.174 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.575 -8.143 -4.334 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.176 -8.321 -3.293 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.369 -10.063 -2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.383 -11.670 -2.982 1.00 0.00 H new ATOM 1131 N GLN A 83 7.042 -5.744 -6.785 1.00 0.00 N ATOM 1132 CA GLN A 83 6.051 -5.349 -7.786 1.00 0.00 C ATOM 1133 C GLN A 83 6.647 -4.347 -8.776 1.00 0.00 C ATOM 1134 O GLN A 83 6.955 -3.209 -8.416 1.00 0.00 O ATOM 1135 CB GLN A 83 4.808 -4.752 -7.114 1.00 0.00 C ATOM 1136 CG GLN A 83 4.338 -5.507 -5.873 1.00 0.00 C ATOM 1137 CD GLN A 83 4.218 -7.009 -6.083 1.00 0.00 C ATOM 1138 OE1 GLN A 83 4.304 -7.506 -7.206 1.00 0.00 O ATOM 1139 NE2 GLN A 83 4.011 -7.742 -4.995 1.00 0.00 N ATOM 0 H GLN A 83 6.843 -5.412 -5.841 1.00 0.00 H new ATOM 0 HA GLN A 83 5.755 -6.243 -8.335 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.020 -3.719 -6.837 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.995 -4.727 -7.839 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.035 -5.317 -5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.370 -5.113 -5.563 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.946 -7.292 -4.082 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.917 -8.755 -5.073 1.00 0.00 H new ATOM 1148 N ARG A 84 6.815 -4.787 -10.024 1.00 0.00 N ATOM 1149 CA ARG A 84 7.384 -3.945 -11.074 1.00 0.00 C ATOM 1150 C ARG A 84 6.308 -3.468 -12.048 1.00 0.00 C ATOM 1151 O ARG A 84 5.324 -4.169 -12.293 1.00 0.00 O ATOM 1152 CB ARG A 84 8.460 -4.722 -11.834 1.00 0.00 C ATOM 1153 CG ARG A 84 9.880 -4.282 -11.507 1.00 0.00 C ATOM 1154 CD ARG A 84 10.900 -5.339 -11.905 1.00 0.00 C ATOM 1155 NE ARG A 84 11.370 -6.110 -10.753 1.00 0.00 N ATOM 1156 CZ ARG A 84 12.290 -5.675 -9.887 1.00 0.00 C ATOM 1157 NH1 ARG A 84 12.835 -4.468 -10.028 1.00 0.00 N ATOM 1158 NH2 ARG A 84 12.664 -6.450 -8.874 1.00 0.00 N ATOM 0 H ARG A 84 6.563 -5.726 -10.332 1.00 0.00 H new ATOM 0 HA ARG A 84 7.827 -3.068 -10.602 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.357 -5.783 -11.608 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.291 -4.606 -12.905 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.101 -3.349 -12.026 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.962 -4.080 -10.439 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.456 -6.014 -12.636 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.749 -4.858 -12.390 1.00 0.00 H new ATOM 0 HE ARG A 84 10.971 -7.036 -10.602 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.551 -3.867 -10.802 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.537 -4.144 -9.362 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.249 -7.375 -8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.366 -6.120 -8.212 1.00 0.00 H new ATOM 1172 N GLY A 85 6.511 -2.273 -12.607 1.00 0.00 N ATOM 1173 CA GLY A 85 5.560 -1.716 -13.556 1.00 0.00 C ATOM 1174 C GLY A 85 4.189 -1.497 -12.946 1.00 0.00 C ATOM 1175 O GLY A 85 3.978 -0.531 -12.209 1.00 0.00 O ATOM 0 H GLY A 85 7.320 -1.681 -12.418 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.942 -0.767 -13.933 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.471 -2.386 -14.411 1.00 0.00 H new ATOM 1179 N GLU A 86 3.258 -2.402 -13.248 1.00 0.00 N ATOM 1180 CA GLU A 86 1.901 -2.313 -12.720 1.00 0.00 C ATOM 1181 C GLU A 86 1.793 -3.061 -11.395 1.00 0.00 C ATOM 1182 O GLU A 86 2.251 -4.199 -11.271 1.00 0.00 O ATOM 1183 CB GLU A 86 0.882 -2.865 -13.725 1.00 0.00 C ATOM 1184 CG GLU A 86 1.227 -4.246 -14.262 1.00 0.00 C ATOM 1185 CD GLU A 86 0.009 -5.001 -14.762 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -0.894 -5.283 -13.944 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -0.041 -5.312 -15.970 1.00 0.00 O ATOM 0 H GLU A 86 3.421 -3.205 -13.856 1.00 0.00 H new ATOM 0 HA GLU A 86 1.676 -1.260 -12.549 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.097 -2.906 -13.248 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.800 -2.171 -14.562 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.946 -4.146 -15.075 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.712 -4.826 -13.477 1.00 0.00 H new ATOM 1194 N ILE A 87 1.197 -2.407 -10.403 1.00 0.00 N ATOM 1195 CA ILE A 87 1.038 -2.996 -9.079 1.00 0.00 C ATOM 1196 C ILE A 87 -0.407 -2.878 -8.595 1.00 0.00 C ATOM 1197 O ILE A 87 -1.013 -1.809 -8.686 1.00 0.00 O ATOM 1198 CB ILE A 87 1.965 -2.313 -8.050 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.362 -2.091 -8.643 1.00 0.00 C ATOM 1200 CG2 ILE A 87 2.048 -3.144 -6.778 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.299 -1.332 -7.726 1.00 0.00 C ATOM 0 H ILE A 87 0.815 -1.465 -10.492 1.00 0.00 H new ATOM 0 HA ILE A 87 1.307 -4.049 -9.164 1.00 0.00 H new ATOM 0 HB ILE A 87 1.544 -1.339 -7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.804 -3.059 -8.880 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.266 -1.546 -9.582 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.705 -2.649 -6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.053 -3.248 -6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.446 -4.131 -7.014 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.267 -1.213 -8.212 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.879 -0.350 -7.509 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.426 -1.886 -6.796 1.00 0.00 H new ATOM 1213 N GLU A 88 -0.953 -3.976 -8.075 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.325 -3.985 -7.574 1.00 0.00 C ATOM 1215 C GLU A 88 -2.354 -3.699 -6.074 1.00 0.00 C ATOM 1216 O GLU A 88 -1.728 -4.409 -5.286 1.00 0.00 O ATOM 1217 CB GLU A 88 -2.991 -5.333 -7.864 1.00 0.00 C ATOM 1218 CG GLU A 88 -3.659 -5.402 -9.228 1.00 0.00 C ATOM 1219 CD GLU A 88 -2.743 -5.966 -10.297 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -1.937 -5.193 -10.857 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -2.829 -7.182 -10.569 1.00 0.00 O ATOM 0 H GLU A 88 -0.467 -4.869 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.880 -3.200 -8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.241 -6.121 -7.796 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.736 -5.534 -7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.555 -6.019 -9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.982 -4.403 -9.521 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.079 -2.649 -5.687 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.182 -2.264 -4.281 1.00 0.00 C ATOM 1230 C PHE A 89 -4.626 -2.327 -3.787 1.00 0.00 C ATOM 1231 O PHE A 89 -5.535 -1.789 -4.422 1.00 0.00 O ATOM 1232 CB PHE A 89 -2.620 -0.853 -4.081 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.609 -0.761 -2.973 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -2.018 -0.638 -1.655 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -0.253 -0.804 -3.250 1.00 0.00 C ATOM 1236 CE1 PHE A 89 -1.091 -0.552 -0.634 1.00 0.00 C ATOM 1237 CE2 PHE A 89 0.678 -0.719 -2.234 1.00 0.00 C ATOM 1238 CZ PHE A 89 0.259 -0.595 -0.923 1.00 0.00 C ATOM 0 H PHE A 89 -3.602 -2.051 -6.327 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.597 -2.974 -3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.159 -0.519 -5.011 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.442 -0.170 -3.869 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.072 -0.609 -1.423 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.080 -0.905 -4.272 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.422 -0.451 0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.733 -0.749 -2.464 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.985 -0.532 -0.126 1.00 0.00 H new ATOM 1248 N GLU A 90 -4.826 -2.984 -2.645 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.154 -3.118 -2.055 1.00 0.00 C ATOM 1250 C GLU A 90 -6.174 -2.541 -0.641 1.00 0.00 C ATOM 1251 O GLU A 90 -5.493 -3.048 0.255 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.575 -4.589 -2.026 1.00 0.00 C ATOM 1253 CG GLU A 90 -8.054 -4.794 -1.729 1.00 0.00 C ATOM 1254 CD GLU A 90 -8.343 -6.096 -1.001 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -7.487 -6.545 -0.209 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -9.431 -6.666 -1.222 1.00 0.00 O ATOM 0 H GLU A 90 -4.082 -3.432 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.860 -2.559 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.340 -5.045 -2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.986 -5.112 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.416 -3.961 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.612 -4.777 -2.665 1.00 0.00 H new ATOM 1263 N VAL A 91 -6.956 -1.476 -0.450 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.064 -0.821 0.854 1.00 0.00 C ATOM 1265 C VAL A 91 -8.519 -0.474 1.189 1.00 0.00 C ATOM 1266 O VAL A 91 -9.407 -0.591 0.341 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.209 0.464 0.905 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -4.731 0.119 1.031 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.459 1.323 -0.326 1.00 0.00 C ATOM 0 H VAL A 91 -7.523 -1.049 -1.182 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.691 -1.528 1.595 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.502 1.037 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.145 1.037 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.567 -0.451 1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.422 -0.477 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.848 2.224 -0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.197 0.760 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.512 1.601 -0.368 1.00 0.00 H new ATOM 1279 N VAL A 92 -8.755 -0.052 2.434 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.100 0.305 2.889 1.00 0.00 C ATOM 1281 C VAL A 92 -10.094 1.630 3.659 1.00 0.00 C ATOM 1282 O VAL A 92 -9.151 1.923 4.395 1.00 0.00 O ATOM 1283 CB VAL A 92 -10.696 -0.800 3.791 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -12.170 -0.541 4.067 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -10.503 -2.170 3.158 1.00 0.00 C ATOM 0 H VAL A 92 -8.031 0.051 3.145 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.718 0.413 1.997 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.165 -0.782 4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.566 -1.332 4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.283 0.419 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.719 -0.524 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.929 -2.934 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.003 -2.197 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.439 -2.361 3.022 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.155 2.425 3.486 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.271 3.718 4.167 1.00 0.00 C ATOM 1297 C TYR A 93 -11.479 3.528 5.671 1.00 0.00 C ATOM 1298 O TYR A 93 -12.395 2.820 6.095 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.436 4.532 3.583 1.00 0.00 C ATOM 1300 CG TYR A 93 -12.119 5.998 3.348 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.396 6.737 4.280 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -12.550 6.644 2.194 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -11.112 8.073 4.067 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -12.268 7.979 1.975 1.00 0.00 C ATOM 1305 CZ TYR A 93 -11.550 8.689 2.913 1.00 0.00 C ATOM 1306 OH TYR A 93 -11.269 10.019 2.698 1.00 0.00 O ATOM 0 H TYR A 93 -11.944 2.196 2.881 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.340 4.262 4.009 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.740 4.082 2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.288 4.461 4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.051 6.259 5.185 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.115 6.093 1.457 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.550 8.632 4.801 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.609 8.464 1.072 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.648 10.299 1.838 1.00 0.00 H new ATOM 1316 N VAL A 94 -10.626 4.167 6.471 1.00 0.00 N ATOM 1317 CA VAL A 94 -10.720 4.070 7.926 1.00 0.00 C ATOM 1318 C VAL A 94 -11.097 5.415 8.541 1.00 0.00 C ATOM 1319 O VAL A 94 -10.366 6.398 8.399 1.00 0.00 O ATOM 1320 CB VAL A 94 -9.391 3.587 8.549 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -9.568 3.308 10.034 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -8.872 2.351 7.827 1.00 0.00 C ATOM 0 H VAL A 94 -9.864 4.756 6.136 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.499 3.340 8.144 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.652 4.380 8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.622 2.969 10.456 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.885 4.220 10.540 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.324 2.535 10.171 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.936 2.029 8.283 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.607 1.550 7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.701 2.588 6.777 1.00 0.00 H new ATOM 1332 N ALA A 95 -12.241 5.456 9.222 1.00 0.00 N ATOM 1333 CA ALA A 95 -12.709 6.684 9.857 1.00 0.00 C ATOM 1334 C ALA A 95 -13.637 6.380 11.030 1.00 0.00 C ATOM 1335 O ALA A 95 -14.812 6.026 10.786 1.00 0.00 O ATOM 1336 CB ALA A 95 -13.405 7.572 8.834 1.00 0.00 C ATOM 0 H ALA A 95 -12.859 4.654 9.347 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.843 7.216 10.251 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.750 8.485 9.319 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.706 7.826 8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.258 7.041 8.412 1.00 0.00 H new