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 Set 1.1: A 64 ASN : amide:sc= -0.578 X(o=-0.81,f=-0.37) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.23 K(o=-0.81,f=-1.5) USER MOD Single : A 12 LYS NZ :NH3+ 141:sc= 0.486 (180deg=0.0235) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -1.84 X(o=-1.8,f=-1.8) 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=-0.02) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.599 K(o=-0.6,f=0) USER MOD Single : A 51 CYS SG : rot -143:sc= 0.327 USER MOD Single : A 55 HIS : no HD1:sc= -2.05 K(o=-2.1,f=-4.2) USER MOD Single : A 67 ASN : amide:sc= -0.0448 K(o=-0.045,f=-1.2) USER MOD Single : A 71 THR OG1 : rot -179:sc= -0.114 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HE2:sc= -2.94! K(o=-2.9!,f=-2.3) 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 14:sc= 0.725 USER MOD Single : A 82 GLN : amide:sc= -0.0766 K(o=-0.077,f=-0.81) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -17.107 -1.001 3.096 1.00 0.00 N ATOM 2 CA PRO A 9 -16.833 -0.407 1.757 1.00 0.00 C ATOM 3 C PRO A 9 -15.354 -0.515 1.375 1.00 0.00 C ATOM 4 O PRO A 9 -14.530 0.294 1.807 1.00 0.00 O ATOM 5 CB PRO A 9 -17.271 1.055 1.803 1.00 0.00 C ATOM 6 CG PRO A 9 -17.613 1.294 3.235 1.00 0.00 C ATOM 7 CD PRO A 9 -17.973 -0.052 3.818 1.00 0.00 C ATOM 0 HA PRO A 9 -17.388 -0.955 0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.474 1.719 1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.129 1.234 1.154 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.770 1.735 3.767 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.446 1.991 3.324 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.789 -0.083 4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -19.028 -0.282 3.668 1.00 0.00 H new ATOM 17 N ILE A 10 -15.029 -1.523 0.567 1.00 0.00 N ATOM 18 CA ILE A 10 -13.655 -1.749 0.125 1.00 0.00 C ATOM 19 C ILE A 10 -13.413 -1.140 -1.257 1.00 0.00 C ATOM 20 O ILE A 10 -14.295 -1.165 -2.117 1.00 0.00 O ATOM 21 CB ILE A 10 -13.324 -3.259 0.082 1.00 0.00 C ATOM 22 CG1 ILE A 10 -13.554 -3.894 1.456 1.00 0.00 C ATOM 23 CG2 ILE A 10 -11.888 -3.485 -0.375 1.00 0.00 C ATOM 24 CD1 ILE A 10 -14.922 -4.528 1.613 1.00 0.00 C ATOM 0 H ILE A 10 -15.702 -2.198 0.204 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.001 -1.262 0.848 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.990 -3.735 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.790 -4.652 1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.426 -3.132 2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.677 -4.554 -0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.754 -3.067 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.204 -2.995 0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -15.012 -4.957 2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.693 -3.770 1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -15.047 -5.314 0.868 1.00 0.00 H new ATOM 36 N ARG A 11 -12.211 -0.601 -1.460 1.00 0.00 N ATOM 37 CA ARG A 11 -11.849 0.011 -2.739 1.00 0.00 C ATOM 38 C ARG A 11 -10.587 -0.628 -3.320 1.00 0.00 C ATOM 39 O ARG A 11 -9.685 -1.028 -2.583 1.00 0.00 O ATOM 40 CB ARG A 11 -11.643 1.521 -2.574 1.00 0.00 C ATOM 41 CG ARG A 11 -12.628 2.358 -3.376 1.00 0.00 C ATOM 42 CD ARG A 11 -12.152 3.795 -3.531 1.00 0.00 C ATOM 43 NE ARG A 11 -13.263 4.719 -3.759 1.00 0.00 N ATOM 44 CZ ARG A 11 -13.943 4.803 -4.908 1.00 0.00 C ATOM 45 NH1 ARG A 11 -13.624 4.024 -5.940 1.00 0.00 N ATOM 46 NH2 ARG A 11 -14.943 5.670 -5.025 1.00 0.00 N ATOM 0 H ARG A 11 -11.472 -0.575 -0.757 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.671 -0.161 -3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.734 1.779 -1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.628 1.777 -2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.766 1.912 -4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.600 2.348 -2.883 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.609 4.095 -2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.452 3.857 -4.364 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.536 5.337 -2.995 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.856 3.357 -5.858 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.147 4.094 -6.813 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.192 6.271 -4.239 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.462 5.735 -5.901 1.00 0.00 H new ATOM 60 N LYS A 12 -10.532 -0.721 -4.649 1.00 0.00 N ATOM 61 CA LYS A 12 -9.382 -1.312 -5.332 1.00 0.00 C ATOM 62 C LYS A 12 -8.651 -0.264 -6.172 1.00 0.00 C ATOM 63 O LYS A 12 -9.179 0.215 -7.177 1.00 0.00 O ATOM 64 CB LYS A 12 -9.834 -2.472 -6.228 1.00 0.00 C ATOM 65 CG LYS A 12 -10.722 -3.488 -5.522 1.00 0.00 C ATOM 66 CD LYS A 12 -9.901 -4.512 -4.755 1.00 0.00 C ATOM 67 CE LYS A 12 -10.699 -5.779 -4.482 1.00 0.00 C ATOM 68 NZ LYS A 12 -11.488 -5.684 -3.220 1.00 0.00 N ATOM 0 H LYS A 12 -11.270 -0.395 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.696 -1.691 -4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.372 -2.068 -7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.953 -2.982 -6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.393 -2.971 -4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.347 -3.998 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.005 -4.761 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.569 -4.080 -3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.373 -5.969 -5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.019 -6.629 -4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.416 -6.134 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.977 -6.168 -2.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.622 -4.684 -2.969 1.00 0.00 H new ATOM 82 N VAL A 13 -7.434 0.087 -5.753 1.00 0.00 N ATOM 83 CA VAL A 13 -6.630 1.080 -6.468 1.00 0.00 C ATOM 84 C VAL A 13 -5.393 0.435 -7.098 1.00 0.00 C ATOM 85 O VAL A 13 -4.662 -0.306 -6.436 1.00 0.00 O ATOM 86 CB VAL A 13 -6.182 2.229 -5.536 1.00 0.00 C ATOM 87 CG1 VAL A 13 -5.488 3.327 -6.331 1.00 0.00 C ATOM 88 CG2 VAL A 13 -7.368 2.795 -4.762 1.00 0.00 C ATOM 0 H VAL A 13 -6.984 -0.301 -4.924 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.264 1.492 -7.253 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.470 1.823 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.181 4.126 -5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.610 2.916 -6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.175 3.726 -7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.027 3.602 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.109 3.181 -5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.817 2.007 -4.156 1.00 0.00 H new ATOM 98 N LEU A 14 -5.167 0.726 -8.380 1.00 0.00 N ATOM 99 CA LEU A 14 -4.020 0.180 -9.106 1.00 0.00 C ATOM 100 C LEU A 14 -2.917 1.229 -9.254 1.00 0.00 C ATOM 101 O LEU A 14 -3.163 2.333 -9.742 1.00 0.00 O ATOM 102 CB LEU A 14 -4.452 -0.319 -10.491 1.00 0.00 C ATOM 103 CG LEU A 14 -5.727 -1.169 -10.515 1.00 0.00 C ATOM 104 CD1 LEU A 14 -6.961 -0.286 -10.658 1.00 0.00 C ATOM 105 CD2 LEU A 14 -5.664 -2.189 -11.644 1.00 0.00 C ATOM 0 H LEU A 14 -5.764 1.337 -8.937 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.627 -0.658 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.599 0.544 -11.140 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.637 -0.904 -10.918 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.801 -1.705 -9.569 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.855 -0.910 -10.673 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.014 0.404 -9.816 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.898 0.280 -11.588 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.577 -2.785 -11.647 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.565 -1.671 -12.598 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.805 -2.843 -11.496 1.00 0.00 H new ATOM 117 N LEU A 15 -1.701 0.876 -8.832 1.00 0.00 N ATOM 118 CA LEU A 15 -0.559 1.788 -8.919 1.00 0.00 C ATOM 119 C LEU A 15 0.531 1.225 -9.833 1.00 0.00 C ATOM 120 O LEU A 15 0.801 0.023 -9.827 1.00 0.00 O ATOM 121 CB LEU A 15 0.018 2.058 -7.525 1.00 0.00 C ATOM 122 CG LEU A 15 0.737 3.402 -7.372 1.00 0.00 C ATOM 123 CD1 LEU A 15 0.573 3.941 -5.958 1.00 0.00 C ATOM 124 CD2 LEU A 15 2.213 3.266 -7.725 1.00 0.00 C ATOM 0 H LEU A 15 -1.482 -0.034 -8.427 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.914 2.726 -9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.792 2.011 -6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.716 1.259 -7.276 1.00 0.00 H new ATOM 0 HG LEU A 15 0.283 4.111 -8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.091 4.896 -5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.486 4.082 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.997 3.232 -5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.705 4.232 -7.610 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.680 2.539 -7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.311 2.930 -8.757 1.00 0.00 H new ATOM 136 N LEU A 16 1.156 2.108 -10.613 1.00 0.00 N ATOM 137 CA LEU A 16 2.222 1.709 -11.530 1.00 0.00 C ATOM 138 C LEU A 16 3.577 2.222 -11.043 1.00 0.00 C ATOM 139 O LEU A 16 3.737 3.415 -10.774 1.00 0.00 O ATOM 140 CB LEU A 16 1.935 2.238 -12.939 1.00 0.00 C ATOM 141 CG LEU A 16 1.209 1.257 -13.864 1.00 0.00 C ATOM 142 CD1 LEU A 16 0.212 1.991 -14.749 1.00 0.00 C ATOM 143 CD2 LEU A 16 2.208 0.481 -14.712 1.00 0.00 C ATOM 0 H LEU A 16 0.941 3.105 -10.627 1.00 0.00 H new ATOM 0 HA LEU A 16 2.256 0.620 -11.560 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.337 3.145 -12.855 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.879 2.521 -13.404 1.00 0.00 H new ATOM 0 HG LEU A 16 0.659 0.547 -13.246 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.293 1.276 -15.399 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.524 2.498 -14.125 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.738 2.726 -15.358 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.673 -0.211 -15.363 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.787 1.176 -15.320 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.880 -0.079 -14.062 1.00 0.00 H new ATOM 155 N LYS A 17 4.548 1.315 -10.929 1.00 0.00 N ATOM 156 CA LYS A 17 5.887 1.675 -10.471 1.00 0.00 C ATOM 157 C LYS A 17 6.874 1.718 -11.635 1.00 0.00 C ATOM 158 O LYS A 17 7.069 0.723 -12.335 1.00 0.00 O ATOM 159 CB LYS A 17 6.368 0.682 -9.409 1.00 0.00 C ATOM 160 CG LYS A 17 7.420 1.252 -8.467 1.00 0.00 C ATOM 161 CD LYS A 17 8.776 0.595 -8.677 1.00 0.00 C ATOM 162 CE LYS A 17 9.754 0.963 -7.571 1.00 0.00 C ATOM 163 NZ LYS A 17 10.983 0.121 -7.609 1.00 0.00 N ATOM 0 H LYS A 17 4.430 0.326 -11.148 1.00 0.00 H new ATOM 0 HA LYS A 17 5.837 2.671 -10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.512 0.348 -8.823 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.777 -0.198 -9.906 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.507 2.327 -8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.101 1.108 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.655 -0.488 -8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.184 0.901 -9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.031 2.013 -7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.266 0.849 -6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.622 0.405 -6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.722 -0.879 -7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.463 0.249 -8.522 1.00 0.00 H new ATOM 177 N GLU A 18 7.496 2.879 -11.830 1.00 0.00 N ATOM 178 CA GLU A 18 8.469 3.063 -12.902 1.00 0.00 C ATOM 179 C GLU A 18 9.896 2.972 -12.367 1.00 0.00 C ATOM 180 O GLU A 18 10.137 3.199 -11.179 1.00 0.00 O ATOM 181 CB GLU A 18 8.252 4.415 -13.587 1.00 0.00 C ATOM 182 CG GLU A 18 8.321 4.347 -15.104 1.00 0.00 C ATOM 183 CD GLU A 18 7.092 3.704 -15.719 1.00 0.00 C ATOM 184 OE1 GLU A 18 6.955 2.466 -15.616 1.00 0.00 O ATOM 185 OE2 GLU A 18 6.269 4.438 -16.303 1.00 0.00 O ATOM 0 H GLU A 18 7.342 3.708 -11.257 1.00 0.00 H new ATOM 0 HA GLU A 18 8.325 2.266 -13.631 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.279 4.810 -13.293 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.003 5.119 -13.229 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.437 5.354 -15.504 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.206 3.783 -15.398 1.00 0.00 H new ATOM 192 N ASP A 19 10.840 2.643 -13.250 1.00 0.00 N ATOM 193 CA ASP A 19 12.247 2.524 -12.864 1.00 0.00 C ATOM 194 C ASP A 19 12.769 3.832 -12.269 1.00 0.00 C ATOM 195 O ASP A 19 13.545 3.822 -11.314 1.00 0.00 O ATOM 196 CB ASP A 19 13.104 2.120 -14.068 1.00 0.00 C ATOM 197 CG ASP A 19 13.119 0.619 -14.299 1.00 0.00 C ATOM 198 OD1 ASP A 19 13.226 -0.138 -13.310 1.00 0.00 O ATOM 199 OD2 ASP A 19 13.023 0.199 -15.471 1.00 0.00 O ATOM 0 H ASP A 19 10.656 2.454 -14.235 1.00 0.00 H new ATOM 0 HA ASP A 19 12.317 1.747 -12.102 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.726 2.617 -14.961 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.125 2.470 -13.916 1.00 0.00 H new ATOM 204 N HIS A 20 12.333 4.955 -12.837 1.00 0.00 N ATOM 205 CA HIS A 20 12.750 6.269 -12.358 1.00 0.00 C ATOM 206 C HIS A 20 11.855 6.754 -11.208 1.00 0.00 C ATOM 207 O HIS A 20 12.263 7.607 -10.419 1.00 0.00 O ATOM 208 CB HIS A 20 12.741 7.284 -13.508 1.00 0.00 C ATOM 209 CG HIS A 20 11.379 7.566 -14.068 1.00 0.00 C ATOM 210 ND1 HIS A 20 10.616 8.647 -13.680 1.00 0.00 N ATOM 211 CD2 HIS A 20 10.649 6.907 -15.000 1.00 0.00 C ATOM 212 CE1 HIS A 20 9.478 8.643 -14.349 1.00 0.00 C ATOM 213 NE2 HIS A 20 9.473 7.598 -15.155 1.00 0.00 N ATOM 0 H HIS A 20 11.691 4.980 -13.629 1.00 0.00 H new ATOM 0 HA HIS A 20 13.767 6.179 -11.975 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.178 8.219 -13.156 1.00 0.00 H new ATOM 0 HB3 HIS A 20 13.382 6.915 -14.309 1.00 0.00 H new ATOM 0 HD1 HIS A 20 10.888 9.342 -12.984 1.00 0.00 H new ATOM 0 HD2 HIS A 20 10.938 6.007 -15.523 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.686 9.371 -14.253 1.00 0.00 H new ATOM 222 N GLU A 21 10.638 6.206 -11.120 1.00 0.00 N ATOM 223 CA GLU A 21 9.693 6.585 -10.068 1.00 0.00 C ATOM 224 C GLU A 21 9.857 5.702 -8.830 1.00 0.00 C ATOM 225 O GLU A 21 10.659 4.765 -8.824 1.00 0.00 O ATOM 226 CB GLU A 21 8.254 6.485 -10.583 1.00 0.00 C ATOM 227 CG GLU A 21 7.955 7.409 -11.752 1.00 0.00 C ATOM 228 CD GLU A 21 6.475 7.489 -12.074 1.00 0.00 C ATOM 229 OE1 GLU A 21 5.809 6.430 -12.094 1.00 0.00 O ATOM 230 OE2 GLU A 21 5.980 8.611 -12.310 1.00 0.00 O ATOM 0 H GLU A 21 10.286 5.499 -11.765 1.00 0.00 H new ATOM 0 HA GLU A 21 9.907 7.616 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.057 5.456 -10.885 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.569 6.714 -9.767 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.327 8.408 -11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.495 7.061 -12.632 1.00 0.00 H new ATOM 237 N GLY A 22 9.089 6.009 -7.783 1.00 0.00 N ATOM 238 CA GLY A 22 9.160 5.237 -6.553 1.00 0.00 C ATOM 239 C GLY A 22 7.797 5.002 -5.925 1.00 0.00 C ATOM 240 O GLY A 22 6.799 4.839 -6.631 1.00 0.00 O ATOM 0 H GLY A 22 8.420 6.779 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.630 4.276 -6.760 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.799 5.757 -5.839 1.00 0.00 H new ATOM 244 N LEU A 23 7.760 4.983 -4.592 1.00 0.00 N ATOM 245 CA LEU A 23 6.517 4.766 -3.855 1.00 0.00 C ATOM 246 C LEU A 23 5.663 6.037 -3.836 1.00 0.00 C ATOM 247 O LEU A 23 4.558 6.057 -4.381 1.00 0.00 O ATOM 248 CB LEU A 23 6.826 4.302 -2.425 1.00 0.00 C ATOM 249 CG LEU A 23 5.612 3.857 -1.608 1.00 0.00 C ATOM 250 CD1 LEU A 23 5.022 2.572 -2.171 1.00 0.00 C ATOM 251 CD2 LEU A 23 5.990 3.673 -0.146 1.00 0.00 C ATOM 0 H LEU A 23 8.580 5.116 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 23 5.947 3.987 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.534 3.475 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.322 5.115 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 23 4.854 4.638 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.160 2.275 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.710 2.736 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.773 1.783 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.114 3.356 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.768 2.914 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.359 4.616 0.256 1.00 0.00 H new ATOM 263 N GLY A 24 6.186 7.099 -3.217 1.00 0.00 N ATOM 264 CA GLY A 24 5.463 8.363 -3.153 1.00 0.00 C ATOM 265 C GLY A 24 4.465 8.450 -2.004 1.00 0.00 C ATOM 266 O GLY A 24 3.734 9.435 -1.896 1.00 0.00 O ATOM 0 H GLY A 24 7.097 7.106 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.182 9.177 -3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.933 8.514 -4.093 1.00 0.00 H new ATOM 270 N ILE A 25 4.427 7.428 -1.146 1.00 0.00 N ATOM 271 CA ILE A 25 3.505 7.417 -0.009 1.00 0.00 C ATOM 272 C ILE A 25 4.173 6.853 1.244 1.00 0.00 C ATOM 273 O ILE A 25 5.223 6.213 1.164 1.00 0.00 O ATOM 274 CB ILE A 25 2.235 6.590 -0.310 1.00 0.00 C ATOM 275 CG1 ILE A 25 2.605 5.148 -0.668 1.00 0.00 C ATOM 276 CG2 ILE A 25 1.433 7.228 -1.436 1.00 0.00 C ATOM 277 CD1 ILE A 25 1.557 4.135 -0.265 1.00 0.00 C ATOM 0 H ILE A 25 5.021 6.602 -1.216 1.00 0.00 H new ATOM 0 HA ILE A 25 3.221 8.455 0.166 1.00 0.00 H new ATOM 0 HB ILE A 25 1.616 6.576 0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.769 5.080 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.549 4.894 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.543 6.630 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.137 8.236 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.045 7.275 -2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.888 3.136 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.409 4.174 0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.618 4.364 -0.768 1.00 0.00 H new ATOM 289 N SER A 26 3.552 7.094 2.398 1.00 0.00 N ATOM 290 CA SER A 26 4.074 6.613 3.675 1.00 0.00 C ATOM 291 C SER A 26 3.054 5.716 4.379 1.00 0.00 C ATOM 292 O SER A 26 1.859 6.019 4.406 1.00 0.00 O ATOM 293 CB SER A 26 4.442 7.793 4.574 1.00 0.00 C ATOM 294 OG SER A 26 5.220 7.371 5.681 1.00 0.00 O ATOM 0 H SER A 26 2.683 7.622 2.474 1.00 0.00 H new ATOM 0 HA SER A 26 4.969 6.024 3.476 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.997 8.534 3.998 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.534 8.280 4.929 1.00 0.00 H new ATOM 0 HG SER A 26 5.443 8.146 6.238 1.00 0.00 H new ATOM 300 N ILE A 27 3.539 4.610 4.945 1.00 0.00 N ATOM 301 CA ILE A 27 2.675 3.660 5.647 1.00 0.00 C ATOM 302 C ILE A 27 3.018 3.579 7.134 1.00 0.00 C ATOM 303 O ILE A 27 4.160 3.813 7.534 1.00 0.00 O ATOM 304 CB ILE A 27 2.773 2.247 5.031 1.00 0.00 C ATOM 305 CG1 ILE A 27 4.239 1.836 4.851 1.00 0.00 C ATOM 306 CG2 ILE A 27 2.034 2.195 3.699 1.00 0.00 C ATOM 307 CD1 ILE A 27 4.431 0.350 4.645 1.00 0.00 C ATOM 0 H ILE A 27 4.525 4.350 4.931 1.00 0.00 H new ATOM 0 HA ILE A 27 1.656 4.030 5.537 1.00 0.00 H new ATOM 0 HB ILE A 27 2.302 1.540 5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.655 2.369 3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.806 2.149 5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.113 1.193 3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.984 2.441 3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.476 2.914 3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.493 0.133 4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.046 -0.190 5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.893 0.034 3.751 1.00 0.00 H new ATOM 319 N THR A 28 2.017 3.242 7.949 1.00 0.00 N ATOM 320 CA THR A 28 2.202 3.130 9.396 1.00 0.00 C ATOM 321 C THR A 28 1.481 1.897 9.950 1.00 0.00 C ATOM 322 O THR A 28 0.491 1.437 9.377 1.00 0.00 O ATOM 323 CB THR A 28 1.696 4.399 10.096 1.00 0.00 C ATOM 324 OG1 THR A 28 0.278 4.459 10.084 1.00 0.00 O ATOM 325 CG2 THR A 28 2.211 5.677 9.468 1.00 0.00 C ATOM 0 H THR A 28 1.069 3.042 7.631 1.00 0.00 H new ATOM 0 HA THR A 28 3.268 3.017 9.593 1.00 0.00 H new ATOM 0 HB THR A 28 2.078 4.330 11.115 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.019 5.276 10.537 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.815 6.535 10.011 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.300 5.691 9.512 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.889 5.727 8.428 1.00 0.00 H new ATOM 333 N GLY A 29 1.985 1.373 11.071 1.00 0.00 N ATOM 334 CA GLY A 29 1.381 0.203 11.694 1.00 0.00 C ATOM 335 C GLY A 29 2.323 -0.991 11.746 1.00 0.00 C ATOM 336 O GLY A 29 3.517 -0.859 11.468 1.00 0.00 O ATOM 0 H GLY A 29 2.802 1.740 11.558 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.068 0.457 12.707 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.482 -0.073 11.143 1.00 0.00 H new ATOM 340 N GLY A 30 1.783 -2.160 12.100 1.00 0.00 N ATOM 341 CA GLY A 30 2.594 -3.365 12.178 1.00 0.00 C ATOM 342 C GLY A 30 1.839 -4.542 12.771 1.00 0.00 C ATOM 343 O GLY A 30 1.394 -4.487 13.919 1.00 0.00 O ATOM 0 H GLY A 30 0.799 -2.292 12.334 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.943 -3.628 11.180 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.479 -3.164 12.782 1.00 0.00 H new ATOM 347 N LYS A 31 1.701 -5.613 11.986 1.00 0.00 N ATOM 348 CA LYS A 31 1.000 -6.818 12.436 1.00 0.00 C ATOM 349 C LYS A 31 1.662 -7.422 13.676 1.00 0.00 C ATOM 350 O LYS A 31 0.990 -8.045 14.498 1.00 0.00 O ATOM 351 CB LYS A 31 0.944 -7.861 11.317 1.00 0.00 C ATOM 352 CG LYS A 31 -0.375 -8.619 11.256 1.00 0.00 C ATOM 353 CD LYS A 31 -0.228 -10.049 11.760 1.00 0.00 C ATOM 354 CE LYS A 31 -1.582 -10.680 12.056 1.00 0.00 C ATOM 355 NZ LYS A 31 -1.853 -10.765 13.519 1.00 0.00 N ATOM 0 H LYS A 31 2.066 -5.670 11.035 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.016 -6.524 12.700 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.113 -7.365 10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.757 -8.574 11.455 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.122 -8.098 11.854 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.740 -8.631 10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.297 -10.646 11.015 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.383 -10.056 12.663 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.367 -10.095 11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.618 -11.679 11.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.784 -11.201 13.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.119 -11.344 13.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.845 -9.810 13.930 1.00 0.00 H new ATOM 369 N GLU A 32 2.979 -7.234 13.807 1.00 0.00 N ATOM 370 CA GLU A 32 3.718 -7.761 14.955 1.00 0.00 C ATOM 371 C GLU A 32 3.172 -7.196 16.269 1.00 0.00 C ATOM 372 O GLU A 32 3.202 -7.866 17.301 1.00 0.00 O ATOM 373 CB GLU A 32 5.207 -7.427 14.828 1.00 0.00 C ATOM 374 CG GLU A 32 6.122 -8.500 15.397 1.00 0.00 C ATOM 375 CD GLU A 32 6.853 -8.046 16.646 1.00 0.00 C ATOM 376 OE1 GLU A 32 6.180 -7.745 17.654 1.00 0.00 O ATOM 377 OE2 GLU A 32 8.099 -7.992 16.615 1.00 0.00 O ATOM 0 H GLU A 32 3.552 -6.723 13.135 1.00 0.00 H new ATOM 0 HA GLU A 32 3.591 -8.844 14.965 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.448 -7.276 13.776 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.404 -6.485 15.339 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.534 -9.388 15.628 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.851 -8.789 14.640 1.00 0.00 H new ATOM 384 N HIS A 33 2.666 -5.963 16.220 1.00 0.00 N ATOM 385 CA HIS A 33 2.105 -5.314 17.401 1.00 0.00 C ATOM 386 C HIS A 33 0.622 -5.654 17.566 1.00 0.00 C ATOM 387 O HIS A 33 0.100 -5.662 18.683 1.00 0.00 O ATOM 388 CB HIS A 33 2.279 -3.796 17.303 1.00 0.00 C ATOM 389 CG HIS A 33 3.705 -3.344 17.387 1.00 0.00 C ATOM 390 ND1 HIS A 33 4.520 -3.618 18.465 1.00 0.00 N ATOM 391 CD2 HIS A 33 4.459 -2.626 16.521 1.00 0.00 C ATOM 392 CE1 HIS A 33 5.711 -3.085 18.261 1.00 0.00 C ATOM 393 NE2 HIS A 33 5.701 -2.479 17.089 1.00 0.00 N ATOM 0 H HIS A 33 2.634 -5.395 15.373 1.00 0.00 H new ATOM 0 HA HIS A 33 2.642 -5.684 18.274 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.853 -3.451 16.361 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.710 -3.322 18.103 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.143 -2.241 15.563 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.551 -3.136 18.938 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.488 -1.982 16.672 1.00 0.00 H new ATOM 402 N GLY A 34 -0.051 -5.931 16.448 1.00 0.00 N ATOM 403 CA GLY A 34 -1.466 -6.264 16.486 1.00 0.00 C ATOM 404 C GLY A 34 -2.332 -5.222 15.799 1.00 0.00 C ATOM 405 O GLY A 34 -3.451 -4.951 16.238 1.00 0.00 O ATOM 0 H GLY A 34 0.361 -5.930 15.515 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.620 -7.231 16.008 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.783 -6.367 17.524 1.00 0.00 H new ATOM 409 N VAL A 35 -1.817 -4.637 14.717 1.00 0.00 N ATOM 410 CA VAL A 35 -2.552 -3.622 13.969 1.00 0.00 C ATOM 411 C VAL A 35 -2.177 -3.656 12.487 1.00 0.00 C ATOM 412 O VAL A 35 -0.997 -3.728 12.139 1.00 0.00 O ATOM 413 CB VAL A 35 -2.293 -2.206 14.536 1.00 0.00 C ATOM 414 CG1 VAL A 35 -0.816 -1.843 14.443 1.00 0.00 C ATOM 415 CG2 VAL A 35 -3.151 -1.170 13.819 1.00 0.00 C ATOM 0 H VAL A 35 -0.893 -4.850 14.341 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.613 -3.851 14.073 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.573 -2.209 15.589 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.661 -0.843 14.848 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.228 -2.561 15.015 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.501 -1.865 13.400 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.952 -0.182 14.235 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.911 -1.172 12.756 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.205 -1.414 13.953 1.00 0.00 H new ATOM 425 N PRO A 36 -3.179 -3.599 11.590 1.00 0.00 N ATOM 426 CA PRO A 36 -2.945 -3.618 10.142 1.00 0.00 C ATOM 427 C PRO A 36 -2.205 -2.371 9.663 1.00 0.00 C ATOM 428 O PRO A 36 -2.227 -1.335 10.330 1.00 0.00 O ATOM 429 CB PRO A 36 -4.355 -3.673 9.546 1.00 0.00 C ATOM 430 CG PRO A 36 -5.237 -3.102 10.602 1.00 0.00 C ATOM 431 CD PRO A 36 -4.618 -3.504 11.911 1.00 0.00 C ATOM 0 HA PRO A 36 -2.316 -4.456 9.842 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.417 -3.096 8.624 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.642 -4.696 9.302 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.299 -2.017 10.515 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -6.253 -3.488 10.514 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.809 -2.766 12.690 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.014 -4.454 12.269 1.00 0.00 H new ATOM 439 N ILE A 37 -1.548 -2.474 8.508 1.00 0.00 N ATOM 440 CA ILE A 37 -0.810 -1.345 7.954 1.00 0.00 C ATOM 441 C ILE A 37 -1.756 -0.418 7.196 1.00 0.00 C ATOM 442 O ILE A 37 -2.558 -0.871 6.378 1.00 0.00 O ATOM 443 CB ILE A 37 0.323 -1.799 7.005 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.152 -2.926 7.636 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.214 -0.619 6.643 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.709 -2.593 9.005 1.00 0.00 C ATOM 0 H ILE A 37 -1.513 -3.322 7.943 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.358 -0.816 8.793 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.132 -2.186 6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.531 -3.818 7.716 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.979 -3.171 6.969 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.007 -0.954 5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.619 0.147 6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.655 -0.204 7.550 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.282 -3.441 9.381 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.358 -1.721 8.931 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.888 -2.378 9.689 1.00 0.00 H new ATOM 458 N LEU A 38 -1.667 0.878 7.484 1.00 0.00 N ATOM 459 CA LEU A 38 -2.527 1.866 6.837 1.00 0.00 C ATOM 460 C LEU A 38 -1.722 3.070 6.342 1.00 0.00 C ATOM 461 O LEU A 38 -0.652 3.373 6.872 1.00 0.00 O ATOM 462 CB LEU A 38 -3.613 2.335 7.811 1.00 0.00 C ATOM 463 CG LEU A 38 -4.461 1.220 8.435 1.00 0.00 C ATOM 464 CD1 LEU A 38 -3.938 0.862 9.818 1.00 0.00 C ATOM 465 CD2 LEU A 38 -5.922 1.639 8.510 1.00 0.00 C ATOM 0 H LEU A 38 -1.010 1.268 8.159 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.991 1.390 5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.139 2.900 8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.276 3.022 7.286 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.388 0.337 7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.552 0.069 10.245 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.906 0.519 9.739 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.980 1.741 10.462 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.509 0.835 8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.012 2.536 9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.293 1.846 7.506 1.00 0.00 H new ATOM 477 N ILE A 39 -2.253 3.757 5.328 1.00 0.00 N ATOM 478 CA ILE A 39 -1.595 4.937 4.766 1.00 0.00 C ATOM 479 C ILE A 39 -1.863 6.169 5.625 1.00 0.00 C ATOM 480 O ILE A 39 -3.017 6.563 5.814 1.00 0.00 O ATOM 481 CB ILE A 39 -2.069 5.231 3.322 1.00 0.00 C ATOM 482 CG1 ILE A 39 -2.075 3.953 2.478 1.00 0.00 C ATOM 483 CG2 ILE A 39 -1.184 6.290 2.677 1.00 0.00 C ATOM 484 CD1 ILE A 39 -0.718 3.290 2.368 1.00 0.00 C ATOM 0 H ILE A 39 -3.137 3.516 4.880 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.527 4.718 4.750 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.089 5.611 3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.781 3.245 2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.436 4.191 1.477 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.531 6.485 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.233 7.210 3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.154 5.934 2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.800 2.392 1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.012 3.980 1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.363 3.020 3.363 1.00 0.00 H new ATOM 496 N SER A 40 -0.793 6.774 6.141 1.00 0.00 N ATOM 497 CA SER A 40 -0.916 7.965 6.979 1.00 0.00 C ATOM 498 C SER A 40 -0.428 9.217 6.245 1.00 0.00 C ATOM 499 O SER A 40 -1.015 10.291 6.389 1.00 0.00 O ATOM 500 CB SER A 40 -0.132 7.787 8.280 1.00 0.00 C ATOM 501 OG SER A 40 -0.863 8.283 9.386 1.00 0.00 O ATOM 0 H SER A 40 0.166 6.459 5.993 1.00 0.00 H new ATOM 0 HA SER A 40 -1.973 8.096 7.212 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.092 6.731 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.823 8.308 8.207 1.00 0.00 H new ATOM 0 HG SER A 40 -0.342 8.156 10.206 1.00 0.00 H new ATOM 507 N GLU A 41 0.646 9.079 5.463 1.00 0.00 N ATOM 508 CA GLU A 41 1.198 10.210 4.720 1.00 0.00 C ATOM 509 C GLU A 41 1.285 9.901 3.228 1.00 0.00 C ATOM 510 O GLU A 41 1.535 8.761 2.834 1.00 0.00 O ATOM 511 CB GLU A 41 2.586 10.577 5.255 1.00 0.00 C ATOM 512 CG GLU A 41 2.631 11.922 5.971 1.00 0.00 C ATOM 513 CD GLU A 41 2.892 11.792 7.461 1.00 0.00 C ATOM 514 OE1 GLU A 41 2.342 10.860 8.088 1.00 0.00 O ATOM 515 OE2 GLU A 41 3.648 12.627 8.003 1.00 0.00 O ATOM 0 H GLU A 41 1.146 8.200 5.330 1.00 0.00 H new ATOM 0 HA GLU A 41 0.526 11.057 4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.918 9.799 5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.293 10.593 4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.410 12.540 5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.685 12.441 5.817 1.00 0.00 H new ATOM 522 N ILE A 42 1.079 10.927 2.402 1.00 0.00 N ATOM 523 CA ILE A 42 1.136 10.773 0.951 1.00 0.00 C ATOM 524 C ILE A 42 1.934 11.915 0.321 1.00 0.00 C ATOM 525 O ILE A 42 1.522 13.075 0.379 1.00 0.00 O ATOM 526 CB ILE A 42 -0.279 10.730 0.330 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.167 9.727 1.077 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.203 10.374 -1.150 1.00 0.00 C ATOM 529 CD1 ILE A 42 -2.642 9.886 0.782 1.00 0.00 C ATOM 0 H ILE A 42 0.871 11.875 2.715 1.00 0.00 H new ATOM 0 HA ILE A 42 1.633 9.825 0.744 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.724 11.720 0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.859 8.715 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.005 9.840 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.208 10.348 -1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.390 11.123 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.263 9.396 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.208 9.144 1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.965 10.886 1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.817 9.744 -0.284 1.00 0.00 H new ATOM 541 N HIS A 43 3.082 11.585 -0.273 1.00 0.00 N ATOM 542 CA HIS A 43 3.937 12.590 -0.906 1.00 0.00 C ATOM 543 C HIS A 43 3.312 13.106 -2.205 1.00 0.00 C ATOM 544 O HIS A 43 2.851 12.320 -3.035 1.00 0.00 O ATOM 545 CB HIS A 43 5.327 12.011 -1.190 1.00 0.00 C ATOM 546 CG HIS A 43 6.102 11.665 0.046 1.00 0.00 C ATOM 547 ND1 HIS A 43 7.027 12.513 0.618 1.00 0.00 N ATOM 548 CD2 HIS A 43 6.091 10.550 0.817 1.00 0.00 C ATOM 549 CE1 HIS A 43 7.550 11.937 1.686 1.00 0.00 C ATOM 550 NE2 HIS A 43 6.999 10.745 1.828 1.00 0.00 N ATOM 0 H HIS A 43 3.440 10.632 -0.329 1.00 0.00 H new ATOM 0 HA HIS A 43 4.035 13.427 -0.214 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.219 11.116 -1.803 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.898 12.731 -1.776 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.481 9.672 0.664 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.300 12.368 2.333 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.213 10.077 2.569 1.00 0.00 H new ATOM 559 N PRO A 44 3.287 14.442 -2.392 1.00 0.00 N ATOM 560 CA PRO A 44 2.713 15.068 -3.592 1.00 0.00 C ATOM 561 C PRO A 44 3.596 14.904 -4.828 1.00 0.00 C ATOM 562 O PRO A 44 4.799 14.656 -4.716 1.00 0.00 O ATOM 563 CB PRO A 44 2.614 16.545 -3.202 1.00 0.00 C ATOM 564 CG PRO A 44 3.697 16.745 -2.199 1.00 0.00 C ATOM 565 CD PRO A 44 3.812 15.447 -1.445 1.00 0.00 C ATOM 0 HA PRO A 44 1.761 14.613 -3.868 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.751 17.193 -4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.636 16.779 -2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.639 16.997 -2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.457 17.567 -1.525 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.845 15.235 -1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.233 15.468 -0.522 1.00 0.00 H new ATOM 573 N GLY A 45 2.987 15.049 -6.007 1.00 0.00 N ATOM 574 CA GLY A 45 3.722 14.920 -7.256 1.00 0.00 C ATOM 575 C GLY A 45 4.337 13.543 -7.428 1.00 0.00 C ATOM 576 O GLY A 45 5.527 13.421 -7.718 1.00 0.00 O ATOM 0 H GLY A 45 1.994 15.254 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.051 15.122 -8.091 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.509 15.673 -7.290 1.00 0.00 H new ATOM 580 N GLN A 46 3.520 12.509 -7.245 1.00 0.00 N ATOM 581 CA GLN A 46 3.978 11.130 -7.374 1.00 0.00 C ATOM 582 C GLN A 46 2.848 10.233 -7.888 1.00 0.00 C ATOM 583 O GLN A 46 1.716 10.692 -8.046 1.00 0.00 O ATOM 584 CB GLN A 46 4.489 10.625 -6.021 1.00 0.00 C ATOM 585 CG GLN A 46 5.969 10.277 -6.026 1.00 0.00 C ATOM 586 CD GLN A 46 6.830 11.367 -5.416 1.00 0.00 C ATOM 587 OE1 GLN A 46 7.676 11.953 -6.090 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.620 11.644 -4.133 1.00 0.00 N ATOM 0 H GLN A 46 2.533 12.602 -7.006 1.00 0.00 H new ATOM 0 HA GLN A 46 4.794 11.096 -8.096 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.305 11.387 -5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.917 9.744 -5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.121 9.349 -5.475 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.292 10.096 -7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.908 11.133 -3.611 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.171 12.367 -3.671 1.00 0.00 H new ATOM 597 N PRO A 47 3.139 8.940 -8.157 1.00 0.00 N ATOM 598 CA PRO A 47 2.136 7.984 -8.654 1.00 0.00 C ATOM 599 C PRO A 47 0.850 7.983 -7.825 1.00 0.00 C ATOM 600 O PRO A 47 -0.240 7.797 -8.366 1.00 0.00 O ATOM 601 CB PRO A 47 2.845 6.635 -8.532 1.00 0.00 C ATOM 602 CG PRO A 47 4.291 6.959 -8.649 1.00 0.00 C ATOM 603 CD PRO A 47 4.466 8.307 -8.002 1.00 0.00 C ATOM 0 HA PRO A 47 1.815 8.230 -9.666 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.622 6.155 -7.579 1.00 0.00 H new ATOM 0 HB3 PRO A 47 2.528 5.948 -9.317 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.902 6.205 -8.152 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.602 6.984 -9.693 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.747 8.215 -6.953 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.248 8.888 -8.491 1.00 0.00 H new ATOM 611 N ALA A 48 0.985 8.195 -6.513 1.00 0.00 N ATOM 612 CA ALA A 48 -0.170 8.224 -5.616 1.00 0.00 C ATOM 613 C ALA A 48 -1.148 9.320 -6.029 1.00 0.00 C ATOM 614 O ALA A 48 -2.355 9.091 -6.106 1.00 0.00 O ATOM 615 CB ALA A 48 0.277 8.433 -4.175 1.00 0.00 C ATOM 0 H ALA A 48 1.881 8.349 -6.051 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.679 7.263 -5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.596 8.452 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.936 7.618 -3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.811 9.379 -4.093 1.00 0.00 H new ATOM 621 N ASP A 49 -0.613 10.510 -6.305 1.00 0.00 N ATOM 622 CA ASP A 49 -1.434 11.644 -6.723 1.00 0.00 C ATOM 623 C ASP A 49 -1.994 11.420 -8.126 1.00 0.00 C ATOM 624 O ASP A 49 -3.132 11.790 -8.414 1.00 0.00 O ATOM 625 CB ASP A 49 -0.618 12.940 -6.690 1.00 0.00 C ATOM 626 CG ASP A 49 -1.430 14.121 -6.193 1.00 0.00 C ATOM 627 OD1 ASP A 49 -2.299 14.606 -6.950 1.00 0.00 O ATOM 628 OD2 ASP A 49 -1.197 14.561 -5.049 1.00 0.00 O ATOM 0 H ASP A 49 0.385 10.712 -6.246 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.266 11.732 -6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.251 12.803 -6.046 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.243 13.156 -7.690 1.00 0.00 H new ATOM 633 N ARG A 50 -1.184 10.811 -8.997 1.00 0.00 N ATOM 634 CA ARG A 50 -1.595 10.534 -10.376 1.00 0.00 C ATOM 635 C ARG A 50 -2.862 9.676 -10.420 1.00 0.00 C ATOM 636 O ARG A 50 -3.679 9.817 -11.331 1.00 0.00 O ATOM 637 CB ARG A 50 -0.472 9.825 -11.138 1.00 0.00 C ATOM 638 CG ARG A 50 0.805 10.641 -11.265 1.00 0.00 C ATOM 639 CD ARG A 50 0.640 11.796 -12.241 1.00 0.00 C ATOM 640 NE ARG A 50 1.448 12.954 -11.861 1.00 0.00 N ATOM 641 CZ ARG A 50 1.238 14.196 -12.309 1.00 0.00 C ATOM 642 NH1 ARG A 50 0.252 14.451 -13.167 1.00 0.00 N ATOM 643 NH2 ARG A 50 2.021 15.187 -11.899 1.00 0.00 N ATOM 0 H ARG A 50 -0.239 10.500 -8.771 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.809 11.491 -10.852 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.242 8.886 -10.634 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.829 9.571 -12.136 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.088 11.029 -10.286 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.618 9.996 -11.599 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.923 11.469 -13.241 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.410 12.086 -12.286 1.00 0.00 H new ATOM 0 HE ARG A 50 2.221 12.805 -11.213 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.352 13.695 -13.489 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.101 15.402 -13.502 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.780 15.000 -11.244 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.863 16.136 -12.239 1.00 0.00 H new ATOM 657 N CYS A 51 -3.021 8.787 -9.435 1.00 0.00 N ATOM 658 CA CYS A 51 -4.190 7.913 -9.373 1.00 0.00 C ATOM 659 C CYS A 51 -5.385 8.619 -8.730 1.00 0.00 C ATOM 660 O CYS A 51 -6.534 8.291 -9.025 1.00 0.00 O ATOM 661 CB CYS A 51 -3.866 6.641 -8.584 1.00 0.00 C ATOM 662 SG CYS A 51 -3.187 5.303 -9.591 1.00 0.00 S ATOM 0 H CYS A 51 -2.356 8.656 -8.673 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.454 7.650 -10.397 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.154 6.886 -7.796 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.774 6.288 -8.094 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.649 4.164 -9.168 1.00 0.00 H new ATOM 668 N GLY A 52 -5.111 9.582 -7.844 1.00 0.00 N ATOM 669 CA GLY A 52 -6.183 10.304 -7.171 1.00 0.00 C ATOM 670 C GLY A 52 -7.008 9.417 -6.243 1.00 0.00 C ATOM 671 O GLY A 52 -8.096 9.807 -5.816 1.00 0.00 O ATOM 0 H GLY A 52 -4.169 9.873 -7.582 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.755 11.124 -6.595 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.840 10.748 -7.919 1.00 0.00 H new ATOM 675 N GLY A 53 -6.490 8.223 -5.932 1.00 0.00 N ATOM 676 CA GLY A 53 -7.195 7.297 -5.057 1.00 0.00 C ATOM 677 C GLY A 53 -6.537 7.159 -3.696 1.00 0.00 C ATOM 678 O GLY A 53 -7.223 6.967 -2.689 1.00 0.00 O ATOM 0 H GLY A 53 -5.591 7.883 -6.274 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.222 7.638 -4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.242 6.318 -5.534 1.00 0.00 H new ATOM 682 N LEU A 54 -5.207 7.255 -3.662 1.00 0.00 N ATOM 683 CA LEU A 54 -4.467 7.139 -2.409 1.00 0.00 C ATOM 684 C LEU A 54 -4.767 8.327 -1.499 1.00 0.00 C ATOM 685 O LEU A 54 -4.233 9.422 -1.688 1.00 0.00 O ATOM 686 CB LEU A 54 -2.963 7.034 -2.677 1.00 0.00 C ATOM 687 CG LEU A 54 -2.317 5.727 -2.211 1.00 0.00 C ATOM 688 CD1 LEU A 54 -1.140 5.362 -3.104 1.00 0.00 C ATOM 689 CD2 LEU A 54 -1.880 5.843 -0.758 1.00 0.00 C ATOM 0 H LEU A 54 -4.624 7.412 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.789 6.228 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.790 7.147 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.461 7.867 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.055 4.929 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.695 4.430 -2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.486 5.238 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.395 6.157 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.422 4.906 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.157 6.652 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.748 6.054 -0.133 1.00 0.00 H new ATOM 701 N HIS A 55 -5.643 8.097 -0.522 1.00 0.00 N ATOM 702 CA HIS A 55 -6.048 9.136 0.422 1.00 0.00 C ATOM 703 C HIS A 55 -5.561 8.817 1.834 1.00 0.00 C ATOM 704 O HIS A 55 -5.310 7.657 2.165 1.00 0.00 O ATOM 705 CB HIS A 55 -7.578 9.279 0.417 1.00 0.00 C ATOM 706 CG HIS A 55 -8.308 7.976 0.598 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.125 7.150 1.691 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.218 7.350 -0.191 1.00 0.00 C ATOM 709 CE1 HIS A 55 -8.885 6.078 1.564 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.557 6.175 0.433 1.00 0.00 N ATOM 0 H HIS A 55 -6.088 7.193 -0.364 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.594 10.076 0.109 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.873 9.964 1.212 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.889 9.732 -0.525 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.603 7.709 -1.134 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.946 5.260 2.267 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.222 5.487 0.079 1.00 0.00 H new ATOM 719 N VAL A 56 -5.441 9.852 2.666 1.00 0.00 N ATOM 720 CA VAL A 56 -4.997 9.670 4.045 1.00 0.00 C ATOM 721 C VAL A 56 -6.008 8.826 4.821 1.00 0.00 C ATOM 722 O VAL A 56 -7.216 9.066 4.747 1.00 0.00 O ATOM 723 CB VAL A 56 -4.799 11.018 4.774 1.00 0.00 C ATOM 724 CG1 VAL A 56 -4.223 10.798 6.167 1.00 0.00 C ATOM 725 CG2 VAL A 56 -3.902 11.948 3.967 1.00 0.00 C ATOM 0 H VAL A 56 -5.644 10.818 2.410 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.035 9.159 4.005 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.776 11.491 4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.092 11.760 6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.906 10.180 6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.259 10.296 6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.779 12.890 4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.927 11.481 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.357 12.140 2.995 1.00 0.00 H new ATOM 735 N GLY A 57 -5.508 7.833 5.553 1.00 0.00 N ATOM 736 CA GLY A 57 -6.378 6.960 6.322 1.00 0.00 C ATOM 737 C GLY A 57 -6.896 5.793 5.499 1.00 0.00 C ATOM 738 O GLY A 57 -8.098 5.517 5.489 1.00 0.00 O ATOM 0 H GLY A 57 -4.514 7.618 5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.835 6.579 7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.221 7.535 6.704 1.00 0.00 H new ATOM 742 N ASP A 58 -5.981 5.107 4.811 1.00 0.00 N ATOM 743 CA ASP A 58 -6.339 3.957 3.981 1.00 0.00 C ATOM 744 C ASP A 58 -5.831 2.665 4.620 1.00 0.00 C ATOM 745 O ASP A 58 -4.649 2.555 4.946 1.00 0.00 O ATOM 746 CB ASP A 58 -5.756 4.114 2.570 1.00 0.00 C ATOM 747 CG ASP A 58 -6.727 3.704 1.471 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.741 3.037 1.778 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.469 4.049 0.297 1.00 0.00 O ATOM 0 H ASP A 58 -4.985 5.329 4.813 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.425 3.908 3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.463 5.153 2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.851 3.513 2.489 1.00 0.00 H new ATOM 754 N ALA A 59 -6.728 1.696 4.809 1.00 0.00 N ATOM 755 CA ALA A 59 -6.358 0.421 5.427 1.00 0.00 C ATOM 756 C ALA A 59 -5.948 -0.623 4.388 1.00 0.00 C ATOM 757 O ALA A 59 -6.732 -0.978 3.508 1.00 0.00 O ATOM 758 CB ALA A 59 -7.507 -0.104 6.277 1.00 0.00 C ATOM 0 H ALA A 59 -7.711 1.768 4.545 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.492 0.605 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.220 -1.052 6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.740 0.618 7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.385 -0.254 5.649 1.00 0.00 H new ATOM 764 N ILE A 60 -4.713 -1.118 4.507 1.00 0.00 N ATOM 765 CA ILE A 60 -4.189 -2.132 3.586 1.00 0.00 C ATOM 766 C ILE A 60 -4.669 -3.534 3.965 1.00 0.00 C ATOM 767 O ILE A 60 -4.879 -3.833 5.142 1.00 0.00 O ATOM 768 CB ILE A 60 -2.643 -2.137 3.558 1.00 0.00 C ATOM 769 CG1 ILE A 60 -2.096 -0.721 3.365 1.00 0.00 C ATOM 770 CG2 ILE A 60 -2.130 -3.061 2.460 1.00 0.00 C ATOM 771 CD1 ILE A 60 -0.683 -0.550 3.879 1.00 0.00 C ATOM 0 H ILE A 60 -4.056 -0.833 5.233 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.568 -1.869 2.598 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.288 -2.511 4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.122 -0.470 2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.749 -0.014 3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.040 -3.051 2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.483 -4.076 2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.499 -2.718 1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.356 0.476 3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.655 -0.770 4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.018 -1.233 3.350 1.00 0.00 H new ATOM 783 N LEU A 61 -4.824 -4.394 2.955 1.00 0.00 N ATOM 784 CA LEU A 61 -5.262 -5.772 3.169 1.00 0.00 C ATOM 785 C LEU A 61 -4.409 -6.752 2.357 1.00 0.00 C ATOM 786 O LEU A 61 -3.840 -7.694 2.912 1.00 0.00 O ATOM 787 CB LEU A 61 -6.737 -5.935 2.792 1.00 0.00 C ATOM 788 CG LEU A 61 -7.736 -5.752 3.940 1.00 0.00 C ATOM 789 CD1 LEU A 61 -9.163 -5.824 3.416 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.513 -6.799 5.025 1.00 0.00 C ATOM 0 H LEU A 61 -4.651 -4.157 1.978 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.139 -5.998 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.975 -5.216 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.877 -6.929 2.366 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.575 -4.768 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.861 -5.692 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.320 -5.036 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.331 -6.795 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.234 -6.649 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.644 -7.795 4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.502 -6.703 5.421 1.00 0.00 H new ATOM 802 N ALA A 62 -4.330 -6.528 1.040 1.00 0.00 N ATOM 803 CA ALA A 62 -3.551 -7.397 0.157 1.00 0.00 C ATOM 804 C ALA A 62 -2.970 -6.624 -1.028 1.00 0.00 C ATOM 805 O ALA A 62 -3.452 -5.544 -1.375 1.00 0.00 O ATOM 806 CB ALA A 62 -4.414 -8.549 -0.338 1.00 0.00 C ATOM 0 H ALA A 62 -4.795 -5.754 0.566 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.716 -7.795 0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.825 -9.189 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.768 -9.130 0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.268 -8.154 -0.888 1.00 0.00 H new ATOM 812 N VAL A 63 -1.932 -7.190 -1.648 1.00 0.00 N ATOM 813 CA VAL A 63 -1.281 -6.565 -2.799 1.00 0.00 C ATOM 814 C VAL A 63 -0.981 -7.603 -3.878 1.00 0.00 C ATOM 815 O VAL A 63 -0.257 -8.567 -3.632 1.00 0.00 O ATOM 816 CB VAL A 63 0.036 -5.860 -2.401 1.00 0.00 C ATOM 817 CG1 VAL A 63 0.617 -5.095 -3.583 1.00 0.00 C ATOM 818 CG2 VAL A 63 -0.189 -4.933 -1.214 1.00 0.00 C ATOM 0 H VAL A 63 -1.524 -8.083 -1.370 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.973 -5.818 -3.187 1.00 0.00 H new ATOM 0 HB VAL A 63 0.756 -6.623 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.543 -4.607 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.822 -5.788 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.098 -4.343 -3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.750 -4.446 -0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.928 -4.177 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.550 -5.512 -0.364 1.00 0.00 H new ATOM 828 N ASN A 64 -1.545 -7.399 -5.071 1.00 0.00 N ATOM 829 CA ASN A 64 -1.346 -8.317 -6.195 1.00 0.00 C ATOM 830 C ASN A 64 -1.755 -9.745 -5.821 1.00 0.00 C ATOM 831 O ASN A 64 -1.128 -10.716 -6.249 1.00 0.00 O ATOM 832 CB ASN A 64 0.116 -8.280 -6.663 1.00 0.00 C ATOM 833 CG ASN A 64 0.259 -7.680 -8.050 1.00 0.00 C ATOM 834 OD1 ASN A 64 -0.419 -8.094 -8.990 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.144 -6.697 -8.188 1.00 0.00 N ATOM 0 H ASN A 64 -2.146 -6.603 -5.284 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.984 -7.990 -7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.708 -7.700 -5.955 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.521 -9.292 -6.663 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.280 -6.257 -9.098 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.687 -6.383 -7.384 1.00 0.00 H new ATOM 842 N GLY A 65 -2.814 -9.864 -5.016 1.00 0.00 N ATOM 843 CA GLY A 65 -3.289 -11.172 -4.593 1.00 0.00 C ATOM 844 C GLY A 65 -2.429 -11.800 -3.501 1.00 0.00 C ATOM 845 O GLY A 65 -2.557 -12.992 -3.219 1.00 0.00 O ATOM 0 H GLY A 65 -3.350 -9.077 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.313 -11.080 -4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.314 -11.839 -5.455 1.00 0.00 H new ATOM 849 N VAL A 66 -1.555 -11.000 -2.881 1.00 0.00 N ATOM 850 CA VAL A 66 -0.682 -11.492 -1.817 1.00 0.00 C ATOM 851 C VAL A 66 -1.256 -11.146 -0.446 1.00 0.00 C ATOM 852 O VAL A 66 -1.702 -10.020 -0.219 1.00 0.00 O ATOM 853 CB VAL A 66 0.745 -10.908 -1.933 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.680 -11.560 -0.923 1.00 0.00 C ATOM 855 CG2 VAL A 66 1.282 -11.074 -3.348 1.00 0.00 C ATOM 0 H VAL A 66 -1.436 -10.011 -3.099 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.624 -12.575 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 66 0.694 -9.842 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.678 -11.134 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.308 -11.380 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.724 -12.633 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.287 -10.656 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.314 -12.133 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.630 -10.551 -4.048 1.00 0.00 H new ATOM 865 N ASN A 67 -1.243 -12.122 0.463 1.00 0.00 N ATOM 866 CA ASN A 67 -1.766 -11.921 1.813 1.00 0.00 C ATOM 867 C ASN A 67 -0.838 -11.029 2.632 1.00 0.00 C ATOM 868 O ASN A 67 0.358 -11.301 2.746 1.00 0.00 O ATOM 869 CB ASN A 67 -1.950 -13.271 2.523 1.00 0.00 C ATOM 870 CG ASN A 67 -3.222 -13.328 3.355 1.00 0.00 C ATOM 871 OD1 ASN A 67 -3.810 -12.298 3.684 1.00 0.00 O ATOM 872 ND2 ASN A 67 -3.652 -14.538 3.702 1.00 0.00 N ATOM 0 H ASN A 67 -0.876 -13.058 0.288 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.734 -11.427 1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.971 -14.068 1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.091 -13.458 3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.499 -14.637 4.262 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.135 -15.367 3.408 1.00 0.00 H new ATOM 879 N LEU A 68 -1.400 -9.967 3.210 1.00 0.00 N ATOM 880 CA LEU A 68 -0.626 -9.039 4.033 1.00 0.00 C ATOM 881 C LEU A 68 -1.043 -9.118 5.504 1.00 0.00 C ATOM 882 O LEU A 68 -0.306 -8.672 6.386 1.00 0.00 O ATOM 883 CB LEU A 68 -0.780 -7.601 3.522 1.00 0.00 C ATOM 884 CG LEU A 68 0.222 -6.594 4.101 1.00 0.00 C ATOM 885 CD1 LEU A 68 0.794 -5.712 3.000 1.00 0.00 C ATOM 886 CD2 LEU A 68 -0.431 -5.742 5.185 1.00 0.00 C ATOM 0 H LEU A 68 -2.388 -9.729 3.123 1.00 0.00 H new ATOM 0 HA LEU A 68 0.422 -9.331 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.681 -7.605 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.789 -7.257 3.749 1.00 0.00 H new ATOM 0 HG LEU A 68 1.041 -7.153 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.502 -5.005 3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.304 -6.333 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.015 -5.165 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.298 -5.035 5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.273 -5.195 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.786 -6.386 5.990 1.00 0.00 H new ATOM 898 N ARG A 69 -2.227 -9.686 5.769 1.00 0.00 N ATOM 899 CA ARG A 69 -2.728 -9.817 7.136 1.00 0.00 C ATOM 900 C ARG A 69 -1.800 -10.681 7.995 1.00 0.00 C ATOM 901 O ARG A 69 -1.670 -10.449 9.195 1.00 0.00 O ATOM 902 CB ARG A 69 -4.143 -10.404 7.138 1.00 0.00 C ATOM 903 CG ARG A 69 -5.054 -9.794 8.193 1.00 0.00 C ATOM 904 CD ARG A 69 -6.046 -8.816 7.581 1.00 0.00 C ATOM 905 NE ARG A 69 -6.227 -7.623 8.406 1.00 0.00 N ATOM 906 CZ ARG A 69 -6.947 -7.592 9.532 1.00 0.00 C ATOM 907 NH1 ARG A 69 -7.543 -8.694 9.985 1.00 0.00 N ATOM 908 NH2 ARG A 69 -7.067 -6.456 10.210 1.00 0.00 N ATOM 0 H ARG A 69 -2.851 -10.060 5.054 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.757 -8.818 7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.590 -10.256 6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.081 -11.480 7.302 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.596 -10.587 8.709 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.451 -9.280 8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.699 -8.521 6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.007 -9.312 7.447 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.776 -6.760 8.104 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.452 -9.571 9.472 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.090 -8.661 10.845 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.610 -5.609 9.871 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.616 -6.430 11.069 1.00 0.00 H new ATOM 922 N ASP A 70 -1.153 -11.673 7.376 1.00 0.00 N ATOM 923 CA ASP A 70 -0.234 -12.558 8.097 1.00 0.00 C ATOM 924 C ASP A 70 1.229 -12.136 7.901 1.00 0.00 C ATOM 925 O ASP A 70 2.147 -12.882 8.249 1.00 0.00 O ATOM 926 CB ASP A 70 -0.426 -14.010 7.645 1.00 0.00 C ATOM 927 CG ASP A 70 -1.691 -14.633 8.208 1.00 0.00 C ATOM 928 OD1 ASP A 70 -2.020 -14.361 9.383 1.00 0.00 O ATOM 929 OD2 ASP A 70 -2.354 -15.393 7.472 1.00 0.00 O ATOM 0 H ASP A 70 -1.248 -11.883 6.382 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.467 -12.478 9.159 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.461 -14.046 6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.435 -14.601 7.956 1.00 0.00 H new ATOM 934 N THR A 71 1.445 -10.939 7.345 1.00 0.00 N ATOM 935 CA THR A 71 2.796 -10.436 7.109 1.00 0.00 C ATOM 936 C THR A 71 3.120 -9.272 8.047 1.00 0.00 C ATOM 937 O THR A 71 2.221 -8.654 8.620 1.00 0.00 O ATOM 938 CB THR A 71 2.951 -9.997 5.648 1.00 0.00 C ATOM 939 OG1 THR A 71 2.188 -10.827 4.789 1.00 0.00 O ATOM 940 CG2 THR A 71 4.385 -10.031 5.162 1.00 0.00 C ATOM 0 H THR A 71 0.702 -10.305 7.052 1.00 0.00 H new ATOM 0 HA THR A 71 3.499 -11.244 7.313 1.00 0.00 H new ATOM 0 HB THR A 71 2.597 -8.967 5.618 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.312 -10.539 3.861 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.424 -9.709 4.121 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.992 -9.362 5.772 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.772 -11.047 5.242 1.00 0.00 H new ATOM 948 N LYS A 72 4.414 -8.980 8.198 1.00 0.00 N ATOM 949 CA LYS A 72 4.869 -7.893 9.067 1.00 0.00 C ATOM 950 C LYS A 72 5.099 -6.606 8.271 1.00 0.00 C ATOM 951 O LYS A 72 5.243 -6.644 7.049 1.00 0.00 O ATOM 952 CB LYS A 72 6.160 -8.295 9.792 1.00 0.00 C ATOM 953 CG LYS A 72 6.071 -9.629 10.525 1.00 0.00 C ATOM 954 CD LYS A 72 4.897 -9.662 11.494 1.00 0.00 C ATOM 955 CE LYS A 72 5.292 -10.265 12.833 1.00 0.00 C ATOM 956 NZ LYS A 72 4.957 -11.714 12.914 1.00 0.00 N ATOM 0 H LYS A 72 5.167 -9.483 7.728 1.00 0.00 H new ATOM 0 HA LYS A 72 4.087 -7.705 9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.972 -8.345 9.066 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.420 -7.515 10.508 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.967 -10.436 9.800 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.998 -9.807 11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.522 -8.650 11.647 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.082 -10.241 11.060 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.362 -10.131 12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.784 -9.730 13.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.243 -12.085 13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.932 -11.841 12.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.462 -12.229 12.165 1.00 0.00 H new ATOM 970 N HIS A 73 5.136 -5.470 8.973 1.00 0.00 N ATOM 971 CA HIS A 73 5.353 -4.167 8.332 1.00 0.00 C ATOM 972 C HIS A 73 6.626 -4.178 7.484 1.00 0.00 C ATOM 973 O HIS A 73 6.598 -3.809 6.310 1.00 0.00 O ATOM 974 CB HIS A 73 5.441 -3.061 9.391 1.00 0.00 C ATOM 975 CG HIS A 73 5.426 -1.670 8.829 1.00 0.00 C ATOM 976 ND1 HIS A 73 6.453 -0.770 9.021 1.00 0.00 N ATOM 977 CD2 HIS A 73 4.493 -1.020 8.092 1.00 0.00 C ATOM 978 CE1 HIS A 73 6.150 0.373 8.431 1.00 0.00 C ATOM 979 NE2 HIS A 73 4.967 0.248 7.859 1.00 0.00 N ATOM 0 H HIS A 73 5.019 -5.425 9.985 1.00 0.00 H new ATOM 0 HA HIS A 73 4.505 -3.969 7.677 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.607 -3.170 10.084 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.355 -3.198 9.968 1.00 0.00 H new ATOM 0 HD1 HIS A 73 7.312 -0.957 9.538 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.551 -1.424 7.751 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.766 1.260 8.419 1.00 0.00 H new ATOM 988 N LYS A 74 7.736 -4.609 8.086 1.00 0.00 N ATOM 989 CA LYS A 74 9.018 -4.674 7.385 1.00 0.00 C ATOM 990 C LYS A 74 8.950 -5.661 6.216 1.00 0.00 C ATOM 991 O LYS A 74 9.472 -5.389 5.133 1.00 0.00 O ATOM 992 CB LYS A 74 10.136 -5.079 8.354 1.00 0.00 C ATOM 993 CG LYS A 74 11.521 -5.110 7.721 1.00 0.00 C ATOM 994 CD LYS A 74 12.598 -4.678 8.705 1.00 0.00 C ATOM 995 CE LYS A 74 12.857 -5.747 9.755 1.00 0.00 C ATOM 996 NZ LYS A 74 13.990 -5.384 10.652 1.00 0.00 N ATOM 0 H LYS A 74 7.772 -4.918 9.057 1.00 0.00 H new ATOM 0 HA LYS A 74 9.238 -3.684 6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.146 -4.383 9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.911 -6.065 8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.736 -6.117 7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.538 -4.454 6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.521 -4.466 8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.295 -3.752 9.194 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.956 -5.896 10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.074 -6.695 9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.133 -6.139 11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.856 -5.266 10.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.773 -4.493 11.142 1.00 0.00 H new ATOM 1010 N GLU A 75 8.296 -6.801 6.445 1.00 0.00 N ATOM 1011 CA GLU A 75 8.148 -7.828 5.415 1.00 0.00 C ATOM 1012 C GLU A 75 7.301 -7.317 4.249 1.00 0.00 C ATOM 1013 O GLU A 75 7.582 -7.623 3.090 1.00 0.00 O ATOM 1014 CB GLU A 75 7.515 -9.089 6.009 1.00 0.00 C ATOM 1015 CG GLU A 75 8.433 -9.838 6.964 1.00 0.00 C ATOM 1016 CD GLU A 75 8.395 -11.341 6.763 1.00 0.00 C ATOM 1017 OE1 GLU A 75 8.502 -11.792 5.602 1.00 0.00 O ATOM 1018 OE2 GLU A 75 8.262 -12.070 7.769 1.00 0.00 O ATOM 0 H GLU A 75 7.860 -7.036 7.337 1.00 0.00 H new ATOM 0 HA GLU A 75 9.141 -8.072 5.037 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.602 -8.813 6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.225 -9.757 5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.455 -9.484 6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.148 -9.607 7.990 1.00 0.00 H new ATOM 1025 N ALA A 76 6.265 -6.538 4.563 1.00 0.00 N ATOM 1026 CA ALA A 76 5.382 -5.987 3.537 1.00 0.00 C ATOM 1027 C ALA A 76 6.133 -5.031 2.610 1.00 0.00 C ATOM 1028 O ALA A 76 5.798 -4.915 1.432 1.00 0.00 O ATOM 1029 CB ALA A 76 4.191 -5.284 4.172 1.00 0.00 C ATOM 0 H ALA A 76 6.018 -6.276 5.517 1.00 0.00 H new ATOM 0 HA ALA A 76 5.016 -6.819 2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.547 -4.881 3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.628 -5.996 4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.544 -4.471 4.806 1.00 0.00 H new ATOM 1035 N VAL A 77 7.152 -4.352 3.144 1.00 0.00 N ATOM 1036 CA VAL A 77 7.949 -3.415 2.350 1.00 0.00 C ATOM 1037 C VAL A 77 8.647 -4.141 1.202 1.00 0.00 C ATOM 1038 O VAL A 77 8.703 -3.641 0.078 1.00 0.00 O ATOM 1039 CB VAL A 77 9.017 -2.699 3.208 1.00 0.00 C ATOM 1040 CG1 VAL A 77 9.716 -1.611 2.403 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.397 -2.125 4.474 1.00 0.00 C ATOM 0 H VAL A 77 7.443 -4.433 4.118 1.00 0.00 H new ATOM 0 HA VAL A 77 7.259 -2.669 1.955 1.00 0.00 H new ATOM 0 HB VAL A 77 9.766 -3.434 3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.463 -1.120 3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.203 -2.056 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.983 -0.877 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.167 -1.626 5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.622 -1.407 4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.957 -2.931 5.061 1.00 0.00 H new ATOM 1051 N THR A 78 9.178 -5.324 1.497 1.00 0.00 N ATOM 1052 CA THR A 78 9.869 -6.125 0.494 1.00 0.00 C ATOM 1053 C THR A 78 8.887 -6.681 -0.539 1.00 0.00 C ATOM 1054 O THR A 78 9.205 -6.756 -1.727 1.00 0.00 O ATOM 1055 CB THR A 78 10.634 -7.270 1.161 1.00 0.00 C ATOM 1056 OG1 THR A 78 11.341 -6.807 2.299 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.633 -7.938 0.239 1.00 0.00 C ATOM 0 H THR A 78 9.142 -5.749 2.424 1.00 0.00 H new ATOM 0 HA THR A 78 10.578 -5.478 -0.022 1.00 0.00 H new ATOM 0 HB THR A 78 9.875 -8.001 1.440 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.822 -7.554 2.712 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.141 -8.741 0.773 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.112 -8.350 -0.625 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.366 -7.204 -0.096 1.00 0.00 H new ATOM 1065 N ILE A 79 7.697 -7.075 -0.081 1.00 0.00 N ATOM 1066 CA ILE A 79 6.680 -7.629 -0.973 1.00 0.00 C ATOM 1067 C ILE A 79 6.154 -6.570 -1.946 1.00 0.00 C ATOM 1068 O ILE A 79 6.052 -6.826 -3.146 1.00 0.00 O ATOM 1069 CB ILE A 79 5.489 -8.237 -0.196 1.00 0.00 C ATOM 1070 CG1 ILE A 79 5.978 -9.261 0.835 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.504 -8.883 -1.163 1.00 0.00 C ATOM 1072 CD1 ILE A 79 5.009 -9.483 1.976 1.00 0.00 C ATOM 0 H ILE A 79 7.416 -7.021 0.898 1.00 0.00 H new ATOM 0 HA ILE A 79 7.171 -8.425 -1.533 1.00 0.00 H new ATOM 0 HB ILE A 79 4.980 -7.434 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.159 -10.211 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.933 -8.928 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.670 -9.307 -0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.130 -8.131 -1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.007 -9.673 -1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.421 -10.219 2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.847 -8.543 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.060 -9.847 1.582 1.00 0.00 H new ATOM 1084 N LEU A 80 5.820 -5.384 -1.426 1.00 0.00 N ATOM 1085 CA LEU A 80 5.302 -4.302 -2.270 1.00 0.00 C ATOM 1086 C LEU A 80 6.347 -3.841 -3.286 1.00 0.00 C ATOM 1087 O LEU A 80 6.002 -3.468 -4.408 1.00 0.00 O ATOM 1088 CB LEU A 80 4.814 -3.116 -1.421 1.00 0.00 C ATOM 1089 CG LEU A 80 5.895 -2.326 -0.676 1.00 0.00 C ATOM 1090 CD1 LEU A 80 6.413 -1.172 -1.526 1.00 0.00 C ATOM 1091 CD2 LEU A 80 5.345 -1.805 0.643 1.00 0.00 C ATOM 0 H LEU A 80 5.898 -5.150 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 80 4.448 -4.699 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.274 -2.428 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.098 -3.490 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 80 6.730 -2.997 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.179 -0.628 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.841 -1.563 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.590 -0.498 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.121 -1.245 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.494 -1.152 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.025 -2.644 1.261 1.00 0.00 H new ATOM 1103 N SER A 81 7.623 -3.875 -2.896 1.00 0.00 N ATOM 1104 CA SER A 81 8.704 -3.467 -3.792 1.00 0.00 C ATOM 1105 C SER A 81 8.945 -4.516 -4.885 1.00 0.00 C ATOM 1106 O SER A 81 9.403 -4.183 -5.979 1.00 0.00 O ATOM 1107 CB SER A 81 9.996 -3.216 -3.005 1.00 0.00 C ATOM 1108 OG SER A 81 10.299 -4.296 -2.134 1.00 0.00 O ATOM 0 H SER A 81 7.930 -4.179 -1.972 1.00 0.00 H new ATOM 0 HA SER A 81 8.401 -2.537 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.822 -3.066 -3.700 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.897 -2.298 -2.426 1.00 0.00 H new ATOM 0 HG SER A 81 9.749 -5.072 -2.371 1.00 0.00 H new ATOM 1114 N GLN A 82 8.628 -5.782 -4.586 1.00 0.00 N ATOM 1115 CA GLN A 82 8.805 -6.874 -5.548 1.00 0.00 C ATOM 1116 C GLN A 82 7.882 -6.705 -6.760 1.00 0.00 C ATOM 1117 O GLN A 82 8.202 -7.162 -7.859 1.00 0.00 O ATOM 1118 CB GLN A 82 8.544 -8.230 -4.880 1.00 0.00 C ATOM 1119 CG GLN A 82 9.613 -8.633 -3.873 1.00 0.00 C ATOM 1120 CD GLN A 82 10.485 -9.777 -4.361 1.00 0.00 C ATOM 1121 OE1 GLN A 82 10.667 -9.967 -5.563 1.00 0.00 O ATOM 1122 NE2 GLN A 82 11.034 -10.547 -3.426 1.00 0.00 N ATOM 0 H GLN A 82 8.248 -6.074 -3.686 1.00 0.00 H new ATOM 0 HA GLN A 82 9.837 -6.841 -5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.578 -8.197 -4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.476 -8.998 -5.651 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.243 -7.771 -3.655 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.133 -8.922 -2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.858 -10.356 -2.440 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.631 -11.329 -3.695 1.00 0.00 H new ATOM 1131 N GLN A 83 6.737 -6.048 -6.552 1.00 0.00 N ATOM 1132 CA GLN A 83 5.769 -5.822 -7.629 1.00 0.00 C ATOM 1133 C GLN A 83 6.408 -5.043 -8.784 1.00 0.00 C ATOM 1134 O GLN A 83 6.780 -3.877 -8.629 1.00 0.00 O ATOM 1135 CB GLN A 83 4.539 -5.073 -7.100 1.00 0.00 C ATOM 1136 CG GLN A 83 3.977 -5.628 -5.793 1.00 0.00 C ATOM 1137 CD GLN A 83 3.780 -7.135 -5.813 1.00 0.00 C ATOM 1138 OE1 GLN A 83 3.568 -7.732 -6.868 1.00 0.00 O ATOM 1139 NE2 GLN A 83 3.848 -7.760 -4.641 1.00 0.00 N ATOM 0 H GLN A 83 6.458 -5.664 -5.649 1.00 0.00 H new ATOM 0 HA GLN A 83 5.451 -6.794 -8.005 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.802 -4.026 -6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.757 -5.102 -7.859 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.651 -5.368 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.022 -5.147 -5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.026 -7.228 -3.789 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.722 -8.771 -4.594 1.00 0.00 H new ATOM 1148 N ARG A 84 6.539 -5.702 -9.939 1.00 0.00 N ATOM 1149 CA ARG A 84 7.141 -5.085 -11.123 1.00 0.00 C ATOM 1150 C ARG A 84 6.074 -4.659 -12.133 1.00 0.00 C ATOM 1151 O ARG A 84 5.041 -5.317 -12.274 1.00 0.00 O ATOM 1152 CB ARG A 84 8.121 -6.063 -11.781 1.00 0.00 C ATOM 1153 CG ARG A 84 9.116 -5.399 -12.721 1.00 0.00 C ATOM 1154 CD ARG A 84 10.124 -4.546 -11.964 1.00 0.00 C ATOM 1155 NE ARG A 84 9.965 -3.120 -12.252 1.00 0.00 N ATOM 1156 CZ ARG A 84 10.450 -2.517 -13.343 1.00 0.00 C ATOM 1157 NH1 ARG A 84 11.095 -3.218 -14.273 1.00 0.00 N ATOM 1158 NH2 ARG A 84 10.280 -1.209 -13.512 1.00 0.00 N ATOM 0 H ARG A 84 6.235 -6.666 -10.079 1.00 0.00 H new ATOM 0 HA ARG A 84 7.678 -4.192 -10.802 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.670 -6.592 -11.002 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.555 -6.811 -12.336 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.643 -6.163 -13.292 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.580 -4.778 -13.438 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.009 -4.714 -10.893 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.134 -4.858 -12.229 1.00 0.00 H new ATOM 0 HE ARG A 84 9.452 -2.550 -11.579 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.223 -4.223 -14.157 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.461 -2.750 -15.102 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.779 -0.665 -12.809 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.650 -0.750 -14.344 1.00 0.00 H new ATOM 1172 N GLY A 85 6.339 -3.555 -12.838 1.00 0.00 N ATOM 1173 CA GLY A 85 5.402 -3.055 -13.832 1.00 0.00 C ATOM 1174 C GLY A 85 4.091 -2.601 -13.221 1.00 0.00 C ATOM 1175 O GLY A 85 3.999 -1.499 -12.675 1.00 0.00 O ATOM 0 H GLY A 85 7.188 -2.999 -12.736 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.857 -2.222 -14.368 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.205 -3.836 -14.566 1.00 0.00 H new ATOM 1179 N GLU A 86 3.077 -3.462 -13.306 1.00 0.00 N ATOM 1180 CA GLU A 86 1.762 -3.161 -12.753 1.00 0.00 C ATOM 1181 C GLU A 86 1.654 -3.684 -11.325 1.00 0.00 C ATOM 1182 O GLU A 86 2.068 -4.808 -11.032 1.00 0.00 O ATOM 1183 CB GLU A 86 0.660 -3.777 -13.621 1.00 0.00 C ATOM 1184 CG GLU A 86 -0.749 -3.389 -13.189 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.730 -3.340 -14.347 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.731 -4.280 -15.171 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -2.501 -2.359 -14.427 1.00 0.00 O ATOM 0 H GLU A 86 3.144 -4.376 -13.755 1.00 0.00 H new ATOM 0 HA GLU A 86 1.635 -2.078 -12.743 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.811 -3.470 -14.656 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.753 -4.863 -13.594 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.106 -4.104 -12.447 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.719 -2.414 -12.703 1.00 0.00 H new ATOM 1194 N ILE A 87 1.099 -2.862 -10.440 1.00 0.00 N ATOM 1195 CA ILE A 87 0.939 -3.242 -9.043 1.00 0.00 C ATOM 1196 C ILE A 87 -0.501 -3.031 -8.578 1.00 0.00 C ATOM 1197 O ILE A 87 -1.027 -1.916 -8.639 1.00 0.00 O ATOM 1198 CB ILE A 87 1.888 -2.440 -8.126 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.296 -2.374 -8.734 1.00 0.00 C ATOM 1200 CG2 ILE A 87 1.927 -3.063 -6.736 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.291 -1.603 -7.892 1.00 0.00 C ATOM 0 H ILE A 87 0.753 -1.929 -10.666 1.00 0.00 H new ATOM 0 HA ILE A 87 1.190 -4.300 -8.973 1.00 0.00 H new ATOM 0 HB ILE A 87 1.510 -1.421 -8.037 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.667 -3.389 -8.879 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.234 -1.913 -9.720 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.599 -2.489 -6.099 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.925 -3.056 -6.306 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.284 -4.090 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.262 -1.601 -8.387 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.945 -0.577 -7.768 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.384 -2.076 -6.914 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.127 -4.107 -8.105 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.502 -4.049 -7.618 1.00 0.00 C ATOM 1215 C GLU A 88 -2.526 -3.935 -6.098 1.00 0.00 C ATOM 1216 O GLU A 88 -2.001 -4.801 -5.397 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.278 -5.296 -8.053 1.00 0.00 C ATOM 1218 CG GLU A 88 -4.179 -5.067 -9.259 1.00 0.00 C ATOM 1219 CD GLU A 88 -3.997 -6.117 -10.340 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -2.836 -6.412 -10.697 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -5.018 -6.646 -10.829 1.00 0.00 O ATOM 0 H GLU A 88 -0.701 -5.032 -8.049 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.977 -3.167 -8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.570 -6.091 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.885 -5.645 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.219 -5.064 -8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.973 -4.082 -9.678 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.137 -2.868 -5.593 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.227 -2.652 -4.154 1.00 0.00 C ATOM 1230 C PHE A 89 -4.676 -2.722 -3.683 1.00 0.00 C ATOM 1231 O PHE A 89 -5.553 -2.057 -4.239 1.00 0.00 O ATOM 1232 CB PHE A 89 -2.621 -1.297 -3.785 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.248 -1.392 -3.183 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -0.166 -1.801 -3.947 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -1.039 -1.066 -1.853 1.00 0.00 C ATOM 1236 CE1 PHE A 89 1.098 -1.884 -3.394 1.00 0.00 C ATOM 1237 CE2 PHE A 89 0.221 -1.145 -1.296 1.00 0.00 C ATOM 1238 CZ PHE A 89 1.292 -1.554 -2.067 1.00 0.00 C ATOM 0 H PHE A 89 -3.576 -2.141 -6.158 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.665 -3.442 -3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.574 -0.675 -4.679 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.283 -0.793 -3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.312 -2.058 -4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.872 -0.746 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.933 -2.206 -3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.370 -0.887 -0.258 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.279 -1.616 -1.633 1.00 0.00 H new ATOM 1248 N GLU A 90 -4.919 -3.522 -2.647 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.258 -3.669 -2.091 1.00 0.00 C ATOM 1250 C GLU A 90 -6.329 -3.020 -0.715 1.00 0.00 C ATOM 1251 O GLU A 90 -5.645 -3.446 0.219 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.656 -5.144 -2.003 1.00 0.00 C ATOM 1253 CG GLU A 90 -8.162 -5.360 -2.031 1.00 0.00 C ATOM 1254 CD GLU A 90 -8.631 -6.449 -1.082 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -8.085 -6.546 0.037 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -9.555 -7.200 -1.461 1.00 0.00 O ATOM 0 H GLU A 90 -4.204 -4.078 -2.177 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.961 -3.167 -2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.202 -5.686 -2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.251 -5.569 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.661 -4.425 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.466 -5.616 -3.046 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.148 -1.976 -0.603 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.297 -1.249 0.653 1.00 0.00 C ATOM 1265 C VAL A 91 -8.762 -0.917 0.947 1.00 0.00 C ATOM 1266 O VAL A 91 -9.629 -1.067 0.086 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.473 0.056 0.637 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -4.982 -0.248 0.706 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.797 0.882 -0.600 1.00 0.00 C ATOM 0 H VAL A 91 -7.718 -1.616 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.924 -1.903 1.441 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.743 0.640 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.419 0.685 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.764 -0.791 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.695 -0.856 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.205 1.797 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.561 0.306 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.857 1.135 -0.601 1.00 0.00 H new ATOM 1279 N VAL A 92 -9.026 -0.463 2.172 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.379 -0.105 2.592 1.00 0.00 C ATOM 1281 C VAL A 92 -10.379 1.236 3.324 1.00 0.00 C ATOM 1282 O VAL A 92 -9.557 1.462 4.215 1.00 0.00 O ATOM 1283 CB VAL A 92 -10.990 -1.186 3.515 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -12.468 -0.917 3.767 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -10.798 -2.575 2.922 1.00 0.00 C ATOM 0 H VAL A 92 -8.316 -0.334 2.893 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.987 -0.030 1.690 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.467 -1.143 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.873 -1.691 4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.585 0.056 4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -13.006 -0.923 2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.235 -3.319 3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.288 -2.626 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.733 -2.776 2.803 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.303 2.122 2.946 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.405 3.441 3.574 1.00 0.00 C ATOM 1297 C TYR A 93 -11.854 3.314 5.032 1.00 0.00 C ATOM 1298 O TYR A 93 -12.946 2.814 5.312 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.387 4.331 2.799 1.00 0.00 C ATOM 1300 CG TYR A 93 -12.007 5.802 2.767 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.353 6.401 3.838 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -12.312 6.592 1.663 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -11.013 7.740 3.810 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -11.974 7.931 1.628 1.00 0.00 C ATOM 1305 CZ TYR A 93 -11.326 8.501 2.704 1.00 0.00 C ATOM 1306 OH TYR A 93 -10.989 9.835 2.670 1.00 0.00 O ATOM 0 H TYR A 93 -11.989 1.951 2.211 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.418 3.903 3.553 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.461 3.965 1.775 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.377 4.233 3.245 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.106 5.809 4.707 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.822 6.151 0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.504 8.188 4.651 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.216 8.529 0.762 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.280 10.224 1.819 1.00 0.00 H new ATOM 1316 N VAL A 94 -11.003 3.766 5.955 1.00 0.00 N ATOM 1317 CA VAL A 94 -11.308 3.702 7.382 1.00 0.00 C ATOM 1318 C VAL A 94 -11.364 5.104 7.997 1.00 0.00 C ATOM 1319 O VAL A 94 -10.506 5.946 7.724 1.00 0.00 O ATOM 1320 CB VAL A 94 -10.272 2.837 8.138 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -8.879 3.449 8.053 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -10.690 2.635 9.588 1.00 0.00 C ATOM 0 H VAL A 94 -10.097 4.180 5.738 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.288 3.236 7.483 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.236 1.860 7.657 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.172 2.820 8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.576 3.521 7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.891 4.445 8.497 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.946 2.024 10.099 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.766 3.603 10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.657 2.133 9.621 1.00 0.00 H new ATOM 1332 N ALA A 95 -12.383 5.345 8.823 1.00 0.00 N ATOM 1333 CA ALA A 95 -12.561 6.641 9.473 1.00 0.00 C ATOM 1334 C ALA A 95 -12.264 6.558 10.969 1.00 0.00 C ATOM 1335 O ALA A 95 -11.523 7.430 11.472 1.00 0.00 O ATOM 1336 CB ALA A 95 -13.976 7.151 9.241 1.00 0.00 C ATOM 0 H ALA A 95 -13.098 4.657 9.057 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.852 7.342 9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.099 8.118 9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -14.153 7.260 8.171 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.691 6.441 9.656 1.00 0.00 H new