USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 721 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= -0.613 (180deg=-1.38!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 16 ASN : amide:sc= -0.603 X(o=-0.6,f=-0.91) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0694 USER MOD Single : A 27 ASN : amide:sc= -2.09 K(o=-2.1,f=-6.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -3.37 X(o=-3.4,f=-3.1) USER MOD Single : A 36 TYR OH : rot 180:sc= 0.215 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc=-0.00774 X(o=-0.0077,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -5.42! C(o=-5.4!,f=-4.1!) USER MOD Single : A 65 SER OG : rot 180:sc= 0.064 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -13.1! C(o=-13!,f=-15!) USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= 1.18 (180deg=0.619) USER MOD Single : A 73 GLN : amide:sc= -1.1! C(o=-1.1!,f=-8.7!) USER MOD Single : A 77 THR OG1 : rot -7:sc= -3 USER MOD Single : A 80 ASN : amide:sc= 1.02 K(o=1,f=-0.16) USER MOD Single : A 81 THR OG1 : rot -89:sc= 0.798 USER MOD Single : A 83 GLN : amide:sc= -0.366 K(o=-0.37,f=-2.3!) USER MOD Single : A 86 HIS : no HD1:sc= -1.99 K(o=-2,f=-1.3) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.667 K(o=-0.67,f=-1.5!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -14:sc= 0.449! USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -24.430 -2.140 -2.379 1.00 15.00 N ATOM 2 CA PRO A 1 -22.960 -2.155 -2.145 1.00 15.00 C ATOM 3 C PRO A 1 -22.292 -0.879 -2.655 1.00 15.00 C ATOM 4 O PRO A 1 -22.857 -0.157 -3.477 1.00 15.00 O ATOM 5 CB PRO A 1 -22.391 -3.376 -2.862 1.00 15.00 C ATOM 6 CG PRO A 1 -23.538 -3.902 -3.656 1.00 15.00 C ATOM 7 CD PRO A 1 -24.790 -3.453 -2.942 1.00 15.00 C ATOM 0 H2 PRO A 1 -24.686 -1.390 -3.021 1.00 15.00 H new ATOM 0 H3 PRO A 1 -24.932 -1.971 -1.508 1.00 15.00 H new ATOM 0 HA PRO A 1 -22.762 -2.205 -1.074 1.00 15.00 H new ATOM 0 HB2 PRO A 1 -21.553 -3.106 -3.504 1.00 15.00 H new ATOM 0 HB3 PRO A 1 -22.023 -4.118 -2.154 1.00 15.00 H new ATOM 0 HG2 PRO A 1 -23.513 -3.518 -4.676 1.00 15.00 H new ATOM 0 HG3 PRO A 1 -23.498 -4.989 -3.724 1.00 15.00 H new ATOM 0 HD2 PRO A 1 -25.634 -3.375 -3.627 1.00 15.00 H new ATOM 0 HD3 PRO A 1 -25.078 -4.157 -2.161 1.00 15.00 H new ATOM 17 N LYS A 2 -21.087 -0.611 -2.164 1.00 15.00 N ATOM 18 CA LYS A 2 -20.343 0.573 -2.573 1.00 15.00 C ATOM 19 C LYS A 2 -18.837 0.360 -2.388 1.00 15.00 C ATOM 20 O LYS A 2 -18.093 0.307 -3.367 1.00 15.00 O ATOM 21 CB LYS A 2 -20.833 1.802 -1.793 1.00 15.00 C ATOM 22 CG LYS A 2 -19.864 2.975 -1.802 1.00 15.00 C ATOM 23 CD LYS A 2 -19.784 3.623 -3.175 1.00 15.00 C ATOM 24 CE LYS A 2 -18.856 4.827 -3.170 1.00 15.00 C ATOM 25 NZ LYS A 2 -18.753 5.456 -4.516 1.00 15.00 N ATOM 0 H LYS A 2 -20.605 -1.198 -1.483 1.00 15.00 H new ATOM 0 HA LYS A 2 -20.522 0.750 -3.634 1.00 15.00 H new ATOM 0 HB2 LYS A 2 -21.785 2.128 -2.212 1.00 15.00 H new ATOM 0 HB3 LYS A 2 -21.023 1.510 -0.760 1.00 15.00 H new ATOM 0 HG2 LYS A 2 -20.181 3.715 -1.067 1.00 15.00 H new ATOM 0 HG3 LYS A 2 -18.874 2.632 -1.502 1.00 15.00 H new ATOM 0 HD2 LYS A 2 -19.430 2.893 -3.903 1.00 15.00 H new ATOM 0 HD3 LYS A 2 -20.780 3.932 -3.491 1.00 15.00 H new ATOM 0 HE2 LYS A 2 -19.220 5.563 -2.453 1.00 15.00 H new ATOM 0 HE3 LYS A 2 -17.865 4.520 -2.836 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 -18.111 6.273 -4.469 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 -18.382 4.762 -5.196 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 -19.694 5.773 -4.824 1.00 15.00 H new ATOM 39 N PRO A 3 -18.361 0.228 -1.133 1.00 15.00 N ATOM 40 CA PRO A 3 -16.936 0.016 -0.857 1.00 15.00 C ATOM 41 C PRO A 3 -16.463 -1.362 -1.299 1.00 15.00 C ATOM 42 O PRO A 3 -17.167 -2.069 -2.019 1.00 15.00 O ATOM 43 CB PRO A 3 -16.840 0.144 0.661 1.00 15.00 C ATOM 44 CG PRO A 3 -18.198 -0.215 1.155 1.00 15.00 C ATOM 45 CD PRO A 3 -19.159 0.272 0.107 1.00 15.00 C ATOM 0 HA PRO A 3 -16.309 0.725 -1.398 1.00 15.00 H new ATOM 0 HB2 PRO A 3 -16.081 -0.524 1.068 1.00 15.00 H new ATOM 0 HB3 PRO A 3 -16.565 1.157 0.957 1.00 15.00 H new ATOM 0 HG2 PRO A 3 -18.289 -1.292 1.299 1.00 15.00 H new ATOM 0 HG3 PRO A 3 -18.400 0.254 2.118 1.00 15.00 H new ATOM 0 HD2 PRO A 3 -20.040 -0.367 0.041 1.00 15.00 H new ATOM 0 HD3 PRO A 3 -19.512 1.281 0.323 1.00 15.00 H new ATOM 53 N GLY A 4 -15.261 -1.739 -0.872 1.00 15.00 N ATOM 54 CA GLY A 4 -14.719 -3.031 -1.244 1.00 15.00 C ATOM 55 C GLY A 4 -14.033 -2.998 -2.595 1.00 15.00 C ATOM 56 O GLY A 4 -13.281 -3.910 -2.938 1.00 15.00 O ATOM 0 H GLY A 4 -14.655 -1.174 -0.277 1.00 15.00 H new ATOM 0 HA2 GLY A 4 -14.007 -3.356 -0.485 1.00 15.00 H new ATOM 0 HA3 GLY A 4 -15.522 -3.768 -1.264 1.00 15.00 H new ATOM 60 N ASP A 5 -14.290 -1.942 -3.362 1.00 15.00 N ATOM 61 CA ASP A 5 -13.689 -1.793 -4.680 1.00 15.00 C ATOM 62 C ASP A 5 -12.177 -1.707 -4.573 1.00 15.00 C ATOM 63 O ASP A 5 -11.631 -1.397 -3.514 1.00 15.00 O ATOM 64 CB ASP A 5 -14.239 -0.550 -5.382 1.00 15.00 C ATOM 65 CG ASP A 5 -15.544 -0.824 -6.103 1.00 15.00 C ATOM 66 OD1 ASP A 5 -15.495 -1.299 -7.257 1.00 15.00 O ATOM 67 OD2 ASP A 5 -16.614 -0.564 -5.514 1.00 15.00 O ATOM 0 H ASP A 5 -14.910 -1.178 -3.092 1.00 15.00 H new ATOM 0 HA ASP A 5 -13.945 -2.672 -5.272 1.00 15.00 H new ATOM 0 HB2 ASP A 5 -14.392 0.241 -4.648 1.00 15.00 H new ATOM 0 HB3 ASP A 5 -13.502 -0.184 -6.097 1.00 15.00 H new ATOM 72 N ILE A 6 -11.509 -1.998 -5.676 1.00 15.00 N ATOM 73 CA ILE A 6 -10.059 -1.974 -5.721 1.00 15.00 C ATOM 74 C ILE A 6 -9.552 -0.732 -6.447 1.00 15.00 C ATOM 75 O ILE A 6 -10.155 -0.279 -7.419 1.00 15.00 O ATOM 76 CB ILE A 6 -9.525 -3.246 -6.418 1.00 15.00 C ATOM 77 CG1 ILE A 6 -8.967 -4.223 -5.383 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.463 -2.907 -7.462 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.038 -4.926 -4.578 1.00 15.00 C ATOM 0 H ILE A 6 -11.953 -2.255 -6.558 1.00 15.00 H new ATOM 0 HA ILE A 6 -9.691 -1.945 -4.695 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.359 -3.719 -6.936 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.357 -4.970 -5.892 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.308 -3.683 -4.703 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.109 -3.824 -7.932 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.894 -2.253 -8.220 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.627 -2.401 -6.979 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.570 -5.604 -3.864 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.633 -4.187 -4.041 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -10.683 -5.494 -5.248 1.00 15.00 H new ATOM 91 N PHE A 7 -8.430 -0.197 -5.979 1.00 15.00 N ATOM 92 CA PHE A 7 -7.836 0.978 -6.598 1.00 15.00 C ATOM 93 C PHE A 7 -6.316 0.853 -6.639 1.00 15.00 C ATOM 94 O PHE A 7 -5.717 0.190 -5.794 1.00 15.00 O ATOM 95 CB PHE A 7 -8.259 2.255 -5.859 1.00 15.00 C ATOM 96 CG PHE A 7 -7.439 2.569 -4.635 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.164 3.102 -4.755 1.00 15.00 C ATOM 98 CD2 PHE A 7 -7.948 2.341 -3.367 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.413 3.398 -3.635 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.202 2.638 -2.242 1.00 15.00 C ATOM 101 CZ PHE A 7 -5.931 3.168 -2.377 1.00 15.00 C ATOM 0 H PHE A 7 -7.916 -0.558 -5.175 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.200 1.045 -7.623 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.196 3.097 -6.549 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.305 2.161 -5.566 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.754 3.288 -5.737 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -8.939 1.926 -3.256 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.420 3.809 -3.743 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.611 2.457 -1.259 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.346 3.401 -1.500 1.00 15.00 H new ATOM 111 N GLU A 8 -5.702 1.486 -7.631 1.00 15.00 N ATOM 112 CA GLU A 8 -4.253 1.436 -7.789 1.00 15.00 C ATOM 113 C GLU A 8 -3.629 2.820 -7.642 1.00 15.00 C ATOM 114 O GLU A 8 -4.188 3.822 -8.087 1.00 15.00 O ATOM 115 CB GLU A 8 -3.892 0.855 -9.154 1.00 15.00 C ATOM 116 CG GLU A 8 -4.611 1.531 -10.303 1.00 15.00 C ATOM 117 CD GLU A 8 -4.463 0.780 -11.612 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.420 -0.468 -11.579 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.392 1.440 -12.670 1.00 15.00 O ATOM 0 H GLU A 8 -6.185 2.040 -8.338 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.856 0.795 -7.002 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.816 0.943 -9.306 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.129 -0.209 -9.162 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.670 1.623 -10.060 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.223 2.542 -10.424 1.00 15.00 H new ATOM 126 N VAL A 9 -2.456 2.852 -7.028 1.00 15.00 N ATOM 127 CA VAL A 9 -1.714 4.092 -6.823 1.00 15.00 C ATOM 128 C VAL A 9 -0.596 4.199 -7.851 1.00 15.00 C ATOM 129 O VAL A 9 0.309 3.365 -7.886 1.00 15.00 O ATOM 130 CB VAL A 9 -1.141 4.196 -5.379 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.311 2.886 -4.626 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.327 4.614 -5.378 1.00 15.00 C ATOM 0 H VAL A 9 -1.991 2.023 -6.658 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.407 4.923 -6.953 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.712 4.971 -4.868 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.902 2.988 -3.621 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.370 2.637 -4.563 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.783 2.092 -5.154 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.687 4.675 -4.351 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.915 3.878 -5.926 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.428 5.588 -5.856 1.00 15.00 H new ATOM 142 N GLU A 10 -0.674 5.215 -8.698 1.00 15.00 N ATOM 143 CA GLU A 10 0.322 5.409 -9.739 1.00 15.00 C ATOM 144 C GLU A 10 1.265 6.567 -9.426 1.00 15.00 C ATOM 145 O GLU A 10 1.209 7.619 -10.063 1.00 15.00 O ATOM 146 CB GLU A 10 -0.373 5.640 -11.075 1.00 15.00 C ATOM 147 CG GLU A 10 0.584 5.851 -12.238 1.00 15.00 C ATOM 148 CD GLU A 10 0.787 4.593 -13.061 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.168 3.797 -13.173 1.00 15.00 O ATOM 150 OE2 GLU A 10 1.902 4.405 -13.593 1.00 15.00 O ATOM 0 H GLU A 10 -1.415 5.916 -8.684 1.00 15.00 H new ATOM 0 HA GLU A 10 0.930 4.506 -9.791 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.012 4.785 -11.294 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.023 6.511 -10.990 1.00 15.00 H new ATOM 0 HG2 GLU A 10 0.200 6.643 -12.881 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.547 6.190 -11.855 1.00 15.00 H new ATOM 157 N LEU A 11 2.148 6.354 -8.458 1.00 15.00 N ATOM 158 CA LEU A 11 3.127 7.366 -8.076 1.00 15.00 C ATOM 159 C LEU A 11 4.379 7.216 -8.934 1.00 15.00 C ATOM 160 O LEU A 11 4.562 6.195 -9.593 1.00 15.00 O ATOM 161 CB LEU A 11 3.492 7.231 -6.594 1.00 15.00 C ATOM 162 CG LEU A 11 3.768 8.548 -5.856 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.678 9.572 -6.138 1.00 15.00 C ATOM 164 CD2 LEU A 11 3.892 8.299 -4.359 1.00 15.00 C ATOM 0 H LEU A 11 2.207 5.488 -7.922 1.00 15.00 H new ATOM 0 HA LEU A 11 2.692 8.353 -8.236 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.680 6.713 -6.084 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.375 6.598 -6.512 1.00 15.00 H new ATOM 0 HG LEU A 11 4.711 8.952 -6.223 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.899 10.495 -5.603 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.637 9.774 -7.208 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.716 9.181 -5.805 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.088 9.242 -3.848 1.00 15.00 H new ATOM 0 HD22 LEU A 11 2.963 7.869 -3.984 1.00 15.00 H new ATOM 0 HD23 LEU A 11 4.714 7.608 -4.172 1.00 15.00 H new ATOM 176 N ALA A 12 5.239 8.226 -8.927 1.00 15.00 N ATOM 177 CA ALA A 12 6.465 8.174 -9.715 1.00 15.00 C ATOM 178 C ALA A 12 7.640 7.705 -8.866 1.00 15.00 C ATOM 179 O ALA A 12 8.266 8.494 -8.159 1.00 15.00 O ATOM 180 CB ALA A 12 6.765 9.527 -10.334 1.00 15.00 C ATOM 0 H ALA A 12 5.113 9.084 -8.390 1.00 15.00 H new ATOM 0 HA ALA A 12 6.316 7.453 -10.518 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.684 9.465 -10.917 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.941 9.820 -10.985 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.886 10.269 -9.545 1.00 15.00 H new ATOM 186 N LYS A 13 7.928 6.412 -8.943 1.00 15.00 N ATOM 187 CA LYS A 13 9.022 5.821 -8.186 1.00 15.00 C ATOM 188 C LYS A 13 10.368 6.403 -8.612 1.00 15.00 C ATOM 189 O LYS A 13 11.302 6.484 -7.816 1.00 15.00 O ATOM 190 CB LYS A 13 9.024 4.303 -8.374 1.00 15.00 C ATOM 191 CG LYS A 13 9.513 3.537 -7.157 1.00 15.00 C ATOM 192 CD LYS A 13 10.922 3.947 -6.766 1.00 15.00 C ATOM 193 CE LYS A 13 10.912 4.926 -5.602 1.00 15.00 C ATOM 194 NZ LYS A 13 12.174 5.713 -5.523 1.00 15.00 N ATOM 0 H LYS A 13 7.415 5.750 -9.526 1.00 15.00 H new ATOM 0 HA LYS A 13 8.872 6.056 -7.132 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.013 3.975 -8.617 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.654 4.052 -9.227 1.00 15.00 H new ATOM 0 HG2 LYS A 13 8.837 3.713 -6.320 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.490 2.468 -7.366 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.498 3.062 -6.494 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.421 4.402 -7.622 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.067 5.606 -5.708 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.767 4.380 -4.670 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.288 6.090 -4.561 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 12.981 5.099 -5.752 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.135 6.501 -6.201 1.00 15.00 H new ATOM 208 N ASN A 14 10.460 6.806 -9.873 1.00 15.00 N ATOM 209 CA ASN A 14 11.694 7.373 -10.406 1.00 15.00 C ATOM 210 C ASN A 14 11.786 8.863 -10.100 1.00 15.00 C ATOM 211 O ASN A 14 12.866 9.380 -9.812 1.00 15.00 O ATOM 212 CB ASN A 14 11.771 7.144 -11.917 1.00 15.00 C ATOM 213 CG ASN A 14 13.091 7.603 -12.505 1.00 15.00 C ATOM 214 OD1 ASN A 14 14.158 7.323 -11.960 1.00 15.00 O ATOM 215 ND2 ASN A 14 13.024 8.312 -13.627 1.00 15.00 N ATOM 0 H ASN A 14 9.696 6.751 -10.546 1.00 15.00 H new ATOM 0 HA ASN A 14 12.534 6.871 -9.925 1.00 15.00 H new ATOM 0 HB2 ASN A 14 11.631 6.084 -12.129 1.00 15.00 H new ATOM 0 HB3 ASN A 14 10.954 7.677 -12.404 1.00 15.00 H new ATOM 0 HD21 ASN A 14 13.879 8.647 -14.070 1.00 15.00 H new ATOM 0 HD22 ASN A 14 12.117 8.521 -14.045 1.00 15.00 H new ATOM 222 N ASP A 15 10.650 9.548 -10.154 1.00 15.00 N ATOM 223 CA ASP A 15 10.614 10.976 -9.869 1.00 15.00 C ATOM 224 C ASP A 15 10.989 11.234 -8.415 1.00 15.00 C ATOM 225 O ASP A 15 11.649 12.222 -8.096 1.00 15.00 O ATOM 226 CB ASP A 15 9.223 11.543 -10.162 1.00 15.00 C ATOM 227 CG ASP A 15 9.277 12.960 -10.699 1.00 15.00 C ATOM 228 OD1 ASP A 15 10.041 13.777 -10.142 1.00 15.00 O ATOM 229 OD2 ASP A 15 8.555 13.253 -11.675 1.00 15.00 O ATOM 0 H ASP A 15 9.746 9.140 -10.391 1.00 15.00 H new ATOM 0 HA ASP A 15 11.338 11.476 -10.513 1.00 15.00 H new ATOM 0 HB2 ASP A 15 8.718 10.903 -10.885 1.00 15.00 H new ATOM 0 HB3 ASP A 15 8.627 11.526 -9.249 1.00 15.00 H new ATOM 234 N ASN A 16 10.566 10.329 -7.537 1.00 15.00 N ATOM 235 CA ASN A 16 10.857 10.444 -6.114 1.00 15.00 C ATOM 236 C ASN A 16 10.578 9.126 -5.396 1.00 15.00 C ATOM 237 O ASN A 16 10.006 8.202 -5.976 1.00 15.00 O ATOM 238 CB ASN A 16 10.023 11.565 -5.490 1.00 15.00 C ATOM 239 CG ASN A 16 10.774 12.881 -5.434 1.00 15.00 C ATOM 240 OD1 ASN A 16 11.938 12.929 -5.036 1.00 15.00 O ATOM 241 ND2 ASN A 16 10.110 13.960 -5.834 1.00 15.00 N ATOM 0 H ASN A 16 10.019 9.506 -7.789 1.00 15.00 H new ATOM 0 HA ASN A 16 11.914 10.683 -6.002 1.00 15.00 H new ATOM 0 HB2 ASN A 16 9.107 11.697 -6.066 1.00 15.00 H new ATOM 0 HB3 ASN A 16 9.727 11.276 -4.482 1.00 15.00 H new ATOM 0 HD21 ASN A 16 10.564 14.873 -5.819 1.00 15.00 H new ATOM 0 HD22 ASN A 16 9.146 13.875 -6.157 1.00 15.00 H new ATOM 248 N SER A 17 10.977 9.050 -4.131 1.00 15.00 N ATOM 249 CA SER A 17 10.763 7.849 -3.332 1.00 15.00 C ATOM 250 C SER A 17 9.378 7.883 -2.693 1.00 15.00 C ATOM 251 O SER A 17 8.476 8.550 -3.197 1.00 15.00 O ATOM 252 CB SER A 17 11.837 7.735 -2.248 1.00 15.00 C ATOM 253 OG SER A 17 12.926 8.604 -2.511 1.00 15.00 O ATOM 0 H SER A 17 11.451 9.806 -3.637 1.00 15.00 H new ATOM 0 HA SER A 17 10.830 6.979 -3.985 1.00 15.00 H new ATOM 0 HB2 SER A 17 11.404 7.974 -1.277 1.00 15.00 H new ATOM 0 HB3 SER A 17 12.194 6.707 -2.193 1.00 15.00 H new ATOM 0 HG SER A 17 13.596 8.512 -1.802 1.00 15.00 H new ATOM 259 N LEU A 18 9.209 7.173 -1.580 1.00 15.00 N ATOM 260 CA LEU A 18 7.927 7.154 -0.892 1.00 15.00 C ATOM 261 C LEU A 18 7.980 8.006 0.371 1.00 15.00 C ATOM 262 O LEU A 18 8.915 8.780 0.576 1.00 15.00 O ATOM 263 CB LEU A 18 7.507 5.719 -0.543 1.00 15.00 C ATOM 264 CG LEU A 18 7.725 4.686 -1.652 1.00 15.00 C ATOM 265 CD1 LEU A 18 7.162 5.189 -2.973 1.00 15.00 C ATOM 266 CD2 LEU A 18 9.203 4.356 -1.791 1.00 15.00 C ATOM 0 H LEU A 18 9.937 6.610 -1.141 1.00 15.00 H new ATOM 0 HA LEU A 18 7.182 7.574 -1.568 1.00 15.00 H new ATOM 0 HB2 LEU A 18 8.060 5.401 0.341 1.00 15.00 H new ATOM 0 HB3 LEU A 18 6.451 5.722 -0.274 1.00 15.00 H new ATOM 0 HG LEU A 18 7.193 3.774 -1.380 1.00 15.00 H new ATOM 0 HD11 LEU A 18 7.327 4.440 -3.748 1.00 15.00 H new ATOM 0 HD12 LEU A 18 6.093 5.371 -2.867 1.00 15.00 H new ATOM 0 HD13 LEU A 18 7.662 6.116 -3.252 1.00 15.00 H new ATOM 0 HD21 LEU A 18 9.339 3.620 -2.584 1.00 15.00 H new ATOM 0 HD22 LEU A 18 9.756 5.262 -2.038 1.00 15.00 H new ATOM 0 HD23 LEU A 18 9.575 3.949 -0.851 1.00 15.00 H new ATOM 278 N GLY A 19 6.964 7.857 1.207 1.00 15.00 N ATOM 279 CA GLY A 19 6.884 8.611 2.443 1.00 15.00 C ATOM 280 C GLY A 19 5.782 8.089 3.326 1.00 15.00 C ATOM 281 O GLY A 19 5.106 8.852 4.003 1.00 15.00 O ATOM 0 H GLY A 19 6.184 7.219 1.049 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.836 8.552 2.971 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.708 9.663 2.220 1.00 15.00 H new ATOM 285 N ILE A 20 5.578 6.781 3.286 1.00 15.00 N ATOM 286 CA ILE A 20 4.535 6.149 4.075 1.00 15.00 C ATOM 287 C ILE A 20 5.093 5.218 5.150 1.00 15.00 C ATOM 288 O ILE A 20 6.042 4.471 4.909 1.00 15.00 O ATOM 289 CB ILE A 20 3.571 5.360 3.168 1.00 15.00 C ATOM 290 CG1 ILE A 20 2.141 5.843 3.385 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.678 3.865 3.430 1.00 15.00 C ATOM 292 CD1 ILE A 20 1.098 4.801 3.079 1.00 15.00 C ATOM 0 H ILE A 20 6.123 6.136 2.714 1.00 15.00 H new ATOM 0 HA ILE A 20 3.998 6.954 4.577 1.00 15.00 H new ATOM 0 HB ILE A 20 3.849 5.537 2.129 1.00 15.00 H new ATOM 0 HG12 ILE A 20 2.028 6.164 4.421 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.963 6.717 2.759 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.988 3.331 2.777 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.697 3.533 3.230 1.00 15.00 H new ATOM 0 HG23 ILE A 20 3.426 3.659 4.470 1.00 15.00 H new ATOM 0 HD11 ILE A 20 0.106 5.216 3.256 1.00 15.00 H new ATOM 0 HD12 ILE A 20 1.183 4.497 2.036 1.00 15.00 H new ATOM 0 HD13 ILE A 20 1.249 3.935 3.723 1.00 15.00 H new ATOM 304 N SER A 21 4.449 5.218 6.310 1.00 15.00 N ATOM 305 CA SER A 21 4.826 4.321 7.393 1.00 15.00 C ATOM 306 C SER A 21 3.908 3.102 7.334 1.00 15.00 C ATOM 307 O SER A 21 2.731 3.191 7.684 1.00 15.00 O ATOM 308 CB SER A 21 4.713 5.025 8.749 1.00 15.00 C ATOM 309 OG SER A 21 4.523 4.091 9.797 1.00 15.00 O ATOM 0 H SER A 21 3.662 5.830 6.525 1.00 15.00 H new ATOM 0 HA SER A 21 5.865 4.012 7.279 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.616 5.607 8.936 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.880 5.727 8.729 1.00 15.00 H new ATOM 0 HG SER A 21 4.456 4.567 10.651 1.00 15.00 H new ATOM 315 N VAL A 22 4.425 1.979 6.843 1.00 15.00 N ATOM 316 CA VAL A 22 3.606 0.775 6.691 1.00 15.00 C ATOM 317 C VAL A 22 3.696 -0.161 7.890 1.00 15.00 C ATOM 318 O VAL A 22 4.737 -0.265 8.536 1.00 15.00 O ATOM 319 CB VAL A 22 4.017 -0.013 5.435 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.749 0.793 4.174 1.00 15.00 C ATOM 321 CG2 VAL A 22 5.482 -0.407 5.521 1.00 15.00 C ATOM 0 H VAL A 22 5.395 1.875 6.546 1.00 15.00 H new ATOM 0 HA VAL A 22 2.578 1.128 6.605 1.00 15.00 H new ATOM 0 HB VAL A 22 3.414 -0.920 5.385 1.00 15.00 H new ATOM 0 HG11 VAL A 22 4.048 0.213 3.301 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.686 1.024 4.109 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.320 1.721 4.207 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.762 -0.964 4.627 1.00 15.00 H new ATOM 0 HG22 VAL A 22 6.096 0.490 5.597 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.640 -1.030 6.401 1.00 15.00 H new ATOM 331 N THR A 23 2.587 -0.850 8.167 1.00 15.00 N ATOM 332 CA THR A 23 2.523 -1.799 9.274 1.00 15.00 C ATOM 333 C THR A 23 1.534 -2.937 8.978 1.00 15.00 C ATOM 334 O THR A 23 0.940 -2.999 7.896 1.00 15.00 O ATOM 335 CB THR A 23 2.146 -1.078 10.569 1.00 15.00 C ATOM 336 OG1 THR A 23 2.414 -1.895 11.695 1.00 15.00 O ATOM 337 CG2 THR A 23 0.693 -0.679 10.628 1.00 15.00 C ATOM 0 H THR A 23 1.720 -0.766 7.636 1.00 15.00 H new ATOM 0 HA THR A 23 3.511 -2.244 9.396 1.00 15.00 H new ATOM 0 HB THR A 23 2.755 -0.174 10.584 1.00 15.00 H new ATOM 0 HG1 THR A 23 2.168 -1.415 12.513 1.00 15.00 H new ATOM 0 HG21 THR A 23 0.493 -0.172 11.572 1.00 15.00 H new ATOM 0 HG22 THR A 23 0.466 -0.007 9.800 1.00 15.00 H new ATOM 0 HG23 THR A 23 0.068 -1.569 10.554 1.00 15.00 H new ATOM 345 N GLY A 24 1.360 -3.835 9.952 1.00 15.00 N ATOM 346 CA GLY A 24 0.444 -4.957 9.786 1.00 15.00 C ATOM 347 C GLY A 24 0.991 -6.018 8.850 1.00 15.00 C ATOM 348 O GLY A 24 2.016 -6.634 9.137 1.00 15.00 O ATOM 0 H GLY A 24 1.838 -3.805 10.853 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.242 -5.404 10.759 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.507 -4.591 9.400 1.00 15.00 H new ATOM 352 N GLY A 25 0.313 -6.217 7.723 1.00 15.00 N ATOM 353 CA GLY A 25 0.758 -7.194 6.741 1.00 15.00 C ATOM 354 C GLY A 25 0.736 -8.626 7.240 1.00 15.00 C ATOM 355 O GLY A 25 -0.014 -9.453 6.721 1.00 15.00 O ATOM 0 H GLY A 25 -0.540 -5.718 7.471 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.125 -7.119 5.857 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.772 -6.944 6.429 1.00 15.00 H new ATOM 359 N VAL A 26 1.575 -8.922 8.233 1.00 15.00 N ATOM 360 CA VAL A 26 1.676 -10.271 8.803 1.00 15.00 C ATOM 361 C VAL A 26 0.353 -11.031 8.722 1.00 15.00 C ATOM 362 O VAL A 26 -0.721 -10.446 8.863 1.00 15.00 O ATOM 363 CB VAL A 26 2.140 -10.229 10.275 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.638 -10.473 10.370 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.769 -8.902 10.917 1.00 15.00 C ATOM 0 H VAL A 26 2.200 -8.241 8.664 1.00 15.00 H new ATOM 0 HA VAL A 26 2.419 -10.797 8.203 1.00 15.00 H new ATOM 0 HB VAL A 26 1.629 -11.024 10.818 1.00 15.00 H new ATOM 0 HG11 VAL A 26 3.947 -10.440 11.415 1.00 15.00 H new ATOM 0 HG12 VAL A 26 3.874 -11.452 9.953 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.168 -9.703 9.810 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.105 -8.893 11.954 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.248 -8.088 10.373 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.687 -8.772 10.885 1.00 15.00 H new ATOM 375 N ASN A 27 0.441 -12.336 8.488 1.00 15.00 N ATOM 376 CA ASN A 27 -0.745 -13.179 8.379 1.00 15.00 C ATOM 377 C ASN A 27 -1.351 -13.451 9.755 1.00 15.00 C ATOM 378 O ASN A 27 -1.490 -14.602 10.167 1.00 15.00 O ATOM 379 CB ASN A 27 -0.389 -14.502 7.698 1.00 15.00 C ATOM 380 CG ASN A 27 0.345 -14.298 6.387 1.00 15.00 C ATOM 381 OD1 ASN A 27 0.522 -13.169 5.930 1.00 15.00 O ATOM 382 ND2 ASN A 27 0.775 -15.394 5.774 1.00 15.00 N ATOM 0 H ASN A 27 1.323 -12.834 8.370 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.483 -12.650 7.776 1.00 15.00 H new ATOM 0 HB2 ASN A 27 0.230 -15.098 8.369 1.00 15.00 H new ATOM 0 HB3 ASN A 27 -1.301 -15.071 7.516 1.00 15.00 H new ATOM 0 HD21 ASN A 27 1.274 -15.320 4.888 1.00 15.00 H new ATOM 0 HD22 ASN A 27 0.606 -16.310 6.189 1.00 15.00 H new ATOM 389 N THR A 28 -1.712 -12.383 10.460 1.00 15.00 N ATOM 390 CA THR A 28 -2.303 -12.508 11.787 1.00 15.00 C ATOM 391 C THR A 28 -3.222 -11.327 12.084 1.00 15.00 C ATOM 392 O THR A 28 -4.419 -11.501 12.314 1.00 15.00 O ATOM 393 CB THR A 28 -1.207 -12.596 12.850 1.00 15.00 C ATOM 394 OG1 THR A 28 -0.169 -13.464 12.429 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.708 -13.095 14.188 1.00 15.00 C ATOM 0 H THR A 28 -1.605 -11.422 10.134 1.00 15.00 H new ATOM 0 HA THR A 28 -2.895 -13.423 11.810 1.00 15.00 H new ATOM 0 HB THR A 28 -0.844 -11.576 12.975 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.523 -13.506 13.121 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.880 -13.133 14.895 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.476 -12.419 14.564 1.00 15.00 H new ATOM 0 HG23 THR A 28 -2.130 -14.093 14.069 1.00 15.00 H new ATOM 403 N SER A 29 -2.651 -10.127 12.079 1.00 15.00 N ATOM 404 CA SER A 29 -3.415 -8.914 12.349 1.00 15.00 C ATOM 405 C SER A 29 -4.366 -8.602 11.198 1.00 15.00 C ATOM 406 O SER A 29 -5.541 -8.304 11.414 1.00 15.00 O ATOM 407 CB SER A 29 -2.471 -7.733 12.580 1.00 15.00 C ATOM 408 OG SER A 29 -3.159 -6.499 12.469 1.00 15.00 O ATOM 0 H SER A 29 -1.661 -9.968 11.891 1.00 15.00 H new ATOM 0 HA SER A 29 -4.006 -9.080 13.250 1.00 15.00 H new ATOM 0 HB2 SER A 29 -2.019 -7.813 13.569 1.00 15.00 H new ATOM 0 HB3 SER A 29 -1.658 -7.766 11.854 1.00 15.00 H new ATOM 0 HG SER A 29 -2.533 -5.761 12.623 1.00 15.00 H new ATOM 414 N VAL A 30 -3.851 -8.672 9.975 1.00 15.00 N ATOM 415 CA VAL A 30 -4.655 -8.396 8.791 1.00 15.00 C ATOM 416 C VAL A 30 -5.565 -9.575 8.458 1.00 15.00 C ATOM 417 O VAL A 30 -5.696 -10.512 9.245 1.00 15.00 O ATOM 418 CB VAL A 30 -3.766 -8.074 7.571 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.793 -6.953 7.901 1.00 15.00 C ATOM 420 CG2 VAL A 30 -3.017 -9.314 7.104 1.00 15.00 C ATOM 0 H VAL A 30 -2.881 -8.917 9.778 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.269 -7.525 9.018 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.411 -7.742 6.758 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.175 -6.740 7.029 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.350 -6.058 8.179 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.156 -7.257 8.732 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.397 -9.062 6.243 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.384 -9.682 7.911 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.732 -10.087 6.822 1.00 15.00 H new ATOM 430 N ARG A 31 -6.192 -9.522 7.287 1.00 15.00 N ATOM 431 CA ARG A 31 -7.089 -10.585 6.851 1.00 15.00 C ATOM 432 C ARG A 31 -6.369 -11.930 6.820 1.00 15.00 C ATOM 433 O ARG A 31 -6.625 -12.800 7.652 1.00 15.00 O ATOM 434 CB ARG A 31 -7.655 -10.266 5.467 1.00 15.00 C ATOM 435 CG ARG A 31 -8.991 -9.542 5.507 1.00 15.00 C ATOM 436 CD ARG A 31 -10.139 -10.468 5.136 1.00 15.00 C ATOM 437 NE ARG A 31 -11.437 -9.810 5.265 1.00 15.00 N ATOM 438 CZ ARG A 31 -12.580 -10.335 4.828 1.00 15.00 C ATOM 439 NH1 ARG A 31 -12.589 -11.523 4.237 1.00 15.00 N ATOM 440 NH2 ARG A 31 -13.717 -9.670 4.984 1.00 15.00 N ATOM 0 H ARG A 31 -6.095 -8.754 6.623 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.908 -10.650 7.567 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -6.936 -9.654 4.922 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.771 -11.195 4.908 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -9.157 -9.137 6.505 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -8.968 -8.696 4.820 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -10.008 -10.814 4.111 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -10.115 -11.350 5.776 1.00 15.00 H new ATOM 0 HE ARG A 31 -11.470 -8.896 5.716 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.717 -12.039 4.116 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -13.467 -11.920 3.904 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -13.716 -8.757 5.439 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -14.593 -10.072 4.649 1.00 15.00 H new ATOM 454 N HIS A 32 -5.471 -12.096 5.853 1.00 15.00 N ATOM 455 CA HIS A 32 -4.721 -13.339 5.717 1.00 15.00 C ATOM 456 C HIS A 32 -3.238 -13.070 5.470 1.00 15.00 C ATOM 457 O HIS A 32 -2.377 -13.740 6.037 1.00 15.00 O ATOM 458 CB HIS A 32 -5.295 -14.186 4.579 1.00 15.00 C ATOM 459 CG HIS A 32 -5.385 -13.459 3.274 1.00 15.00 C ATOM 460 ND1 HIS A 32 -6.577 -13.018 2.738 1.00 15.00 N ATOM 461 CD2 HIS A 32 -4.423 -13.097 2.392 1.00 15.00 C ATOM 462 CE1 HIS A 32 -6.344 -12.417 1.585 1.00 15.00 C ATOM 463 NE2 HIS A 32 -5.045 -12.451 1.352 1.00 15.00 N ATOM 0 H HIS A 32 -5.246 -11.387 5.155 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.815 -13.887 6.654 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.674 -15.072 4.449 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -6.289 -14.532 4.861 1.00 15.00 H new ATOM 0 HD1 HIS A 32 -7.495 -13.137 3.165 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -3.363 -13.282 2.489 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -7.090 -11.973 0.942 1.00 15.00 H new ATOM 472 N GLY A 33 -2.944 -12.093 4.617 1.00 15.00 N ATOM 473 CA GLY A 33 -1.560 -11.770 4.314 1.00 15.00 C ATOM 474 C GLY A 33 -1.409 -10.487 3.514 1.00 15.00 C ATOM 475 O GLY A 33 -0.390 -10.275 2.858 1.00 15.00 O ATOM 0 H GLY A 33 -3.636 -11.521 4.132 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -1.002 -11.678 5.246 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -1.115 -12.594 3.756 1.00 15.00 H new ATOM 479 N GLY A 34 -2.410 -9.617 3.589 1.00 15.00 N ATOM 480 CA GLY A 34 -2.340 -8.349 2.887 1.00 15.00 C ATOM 481 C GLY A 34 -1.770 -7.283 3.793 1.00 15.00 C ATOM 482 O GLY A 34 -1.875 -7.402 5.013 1.00 15.00 O ATOM 0 H GLY A 34 -3.267 -9.766 4.122 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.718 -8.451 1.997 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.334 -8.056 2.549 1.00 15.00 H new ATOM 486 N ILE A 35 -1.156 -6.246 3.233 1.00 15.00 N ATOM 487 CA ILE A 35 -0.580 -5.209 4.083 1.00 15.00 C ATOM 488 C ILE A 35 -1.471 -3.977 4.154 1.00 15.00 C ATOM 489 O ILE A 35 -2.166 -3.637 3.196 1.00 15.00 O ATOM 490 CB ILE A 35 0.851 -4.828 3.644 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.582 -4.094 4.776 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.838 -4.005 2.366 1.00 15.00 C ATOM 493 CD1 ILE A 35 1.341 -2.601 4.808 1.00 15.00 C ATOM 0 H ILE A 35 -1.046 -6.102 2.229 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.514 -5.631 5.086 1.00 15.00 H new ATOM 0 HB ILE A 35 1.396 -5.747 3.429 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.272 -4.521 5.730 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.652 -4.275 4.679 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.861 -3.754 2.085 1.00 15.00 H new ATOM 0 HG22 ILE A 35 0.373 -4.582 1.566 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.271 -3.089 2.529 1.00 15.00 H new ATOM 0 HD11 ILE A 35 1.894 -2.161 5.638 1.00 15.00 H new ATOM 0 HD12 ILE A 35 1.679 -2.158 3.871 1.00 15.00 H new ATOM 0 HD13 ILE A 35 0.276 -2.407 4.938 1.00 15.00 H new ATOM 505 N TYR A 36 -1.445 -3.320 5.308 1.00 15.00 N ATOM 506 CA TYR A 36 -2.245 -2.129 5.538 1.00 15.00 C ATOM 507 C TYR A 36 -1.374 -1.040 6.125 1.00 15.00 C ATOM 508 O TYR A 36 -0.872 -1.159 7.242 1.00 15.00 O ATOM 509 CB TYR A 36 -3.412 -2.439 6.478 1.00 15.00 C ATOM 510 CG TYR A 36 -4.477 -3.313 5.855 1.00 15.00 C ATOM 511 CD1 TYR A 36 -4.200 -4.624 5.485 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.761 -2.828 5.637 1.00 15.00 C ATOM 513 CE1 TYR A 36 -5.171 -5.425 4.916 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.737 -3.624 5.068 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.438 -4.921 4.710 1.00 15.00 C ATOM 516 OH TYR A 36 -7.407 -5.716 4.143 1.00 15.00 O ATOM 0 H TYR A 36 -0.872 -3.598 6.104 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.655 -1.788 4.587 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -3.027 -2.931 7.371 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.866 -1.502 6.801 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -3.209 -5.023 5.645 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.000 -1.813 5.917 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.939 -6.441 4.634 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.730 -3.231 4.905 1.00 15.00 H new ATOM 0 HH TYR A 36 -8.243 -5.210 4.068 1.00 15.00 H new ATOM 526 N VAL A 37 -1.180 0.010 5.351 1.00 15.00 N ATOM 527 CA VAL A 37 -0.340 1.118 5.782 1.00 15.00 C ATOM 528 C VAL A 37 -0.801 1.675 7.124 1.00 15.00 C ATOM 529 O VAL A 37 -1.987 1.671 7.441 1.00 15.00 O ATOM 530 CB VAL A 37 -0.275 2.265 4.731 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.528 1.760 3.323 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.234 3.401 5.043 1.00 15.00 C ATOM 0 H VAL A 37 -1.589 0.122 4.424 1.00 15.00 H new ATOM 0 HA VAL A 37 0.665 0.709 5.891 1.00 15.00 H new ATOM 0 HB VAL A 37 0.741 2.654 4.789 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.473 2.593 2.622 1.00 15.00 H new ATOM 0 HG12 VAL A 37 0.225 1.017 3.062 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.518 1.307 3.271 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.146 4.172 4.278 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.255 3.021 5.059 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -0.990 3.826 6.016 1.00 15.00 H new ATOM 542 N LYS A 38 0.148 2.174 7.897 1.00 15.00 N ATOM 543 CA LYS A 38 -0.157 2.762 9.187 1.00 15.00 C ATOM 544 C LYS A 38 -0.641 4.187 8.973 1.00 15.00 C ATOM 545 O LYS A 38 -1.675 4.592 9.502 1.00 15.00 O ATOM 546 CB LYS A 38 1.079 2.744 10.091 1.00 15.00 C ATOM 547 CG LYS A 38 0.748 2.719 11.575 1.00 15.00 C ATOM 548 CD LYS A 38 0.313 4.087 12.073 1.00 15.00 C ATOM 549 CE LYS A 38 1.429 5.111 11.938 1.00 15.00 C ATOM 550 NZ LYS A 38 1.191 6.308 12.791 1.00 15.00 N ATOM 0 H LYS A 38 1.138 2.183 7.652 1.00 15.00 H new ATOM 0 HA LYS A 38 -0.938 2.181 9.678 1.00 15.00 H new ATOM 0 HB2 LYS A 38 1.684 1.871 9.848 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.687 3.623 9.878 1.00 15.00 H new ATOM 0 HG2 LYS A 38 -0.045 1.995 11.759 1.00 15.00 H new ATOM 0 HG3 LYS A 38 1.620 2.387 12.138 1.00 15.00 H new ATOM 0 HD2 LYS A 38 -0.558 4.420 11.509 1.00 15.00 H new ATOM 0 HD3 LYS A 38 0.008 4.015 13.117 1.00 15.00 H new ATOM 0 HE2 LYS A 38 2.378 4.652 12.214 1.00 15.00 H new ATOM 0 HE3 LYS A 38 1.515 5.419 10.896 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 1.974 6.982 12.670 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 0.298 6.762 12.511 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 1.135 6.018 13.788 1.00 15.00 H new ATOM 564 N ALA A 39 0.112 4.935 8.169 1.00 15.00 N ATOM 565 CA ALA A 39 -0.238 6.310 7.843 1.00 15.00 C ATOM 566 C ALA A 39 0.689 6.863 6.767 1.00 15.00 C ATOM 567 O ALA A 39 1.708 6.254 6.447 1.00 15.00 O ATOM 568 CB ALA A 39 -0.209 7.177 9.086 1.00 15.00 C ATOM 0 H ALA A 39 0.973 4.607 7.731 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.254 6.321 7.447 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -0.473 8.201 8.822 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -0.924 6.794 9.814 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.792 7.161 9.518 1.00 15.00 H new ATOM 574 N VAL A 40 0.338 8.024 6.221 1.00 15.00 N ATOM 575 CA VAL A 40 1.152 8.658 5.183 1.00 15.00 C ATOM 576 C VAL A 40 2.064 9.724 5.793 1.00 15.00 C ATOM 577 O VAL A 40 1.595 10.654 6.450 1.00 15.00 O ATOM 578 CB VAL A 40 0.288 9.297 4.071 1.00 15.00 C ATOM 579 CG1 VAL A 40 0.198 8.379 2.862 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.099 9.634 4.586 1.00 15.00 C ATOM 0 H VAL A 40 -0.501 8.545 6.477 1.00 15.00 H new ATOM 0 HA VAL A 40 1.755 7.871 4.731 1.00 15.00 H new ATOM 0 HB VAL A 40 0.772 10.224 3.764 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.415 8.849 2.093 1.00 15.00 H new ATOM 0 HG12 VAL A 40 1.198 8.197 2.468 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.254 7.432 3.157 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -1.686 10.082 3.784 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -1.590 8.724 4.930 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.019 10.338 5.414 1.00 15.00 H new ATOM 590 N ILE A 41 3.370 9.565 5.592 1.00 15.00 N ATOM 591 CA ILE A 41 4.361 10.491 6.142 1.00 15.00 C ATOM 592 C ILE A 41 4.476 11.782 5.342 1.00 15.00 C ATOM 593 O ILE A 41 4.996 11.784 4.227 1.00 15.00 O ATOM 594 CB ILE A 41 5.756 9.826 6.246 1.00 15.00 C ATOM 595 CG1 ILE A 41 5.637 8.348 6.646 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.640 10.563 7.231 1.00 15.00 C ATOM 597 CD1 ILE A 41 4.549 8.070 7.661 1.00 15.00 C ATOM 0 H ILE A 41 3.770 8.799 5.049 1.00 15.00 H new ATOM 0 HA ILE A 41 4.003 10.747 7.139 1.00 15.00 H new ATOM 0 HB ILE A 41 6.217 9.880 5.260 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.446 7.755 5.752 1.00 15.00 H new ATOM 0 HG13 ILE A 41 6.592 8.014 7.052 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.613 10.074 7.283 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.770 11.594 6.903 1.00 15.00 H new ATOM 0 HG23 ILE A 41 6.175 10.552 8.217 1.00 15.00 H new ATOM 0 HD11 ILE A 41 4.529 7.005 7.891 1.00 15.00 H new ATOM 0 HD12 ILE A 41 4.749 8.634 8.572 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.584 8.371 7.252 1.00 15.00 H new ATOM 609 N PRO A 42 3.999 12.909 5.917 1.00 15.00 N ATOM 610 CA PRO A 42 4.056 14.221 5.263 1.00 15.00 C ATOM 611 C PRO A 42 5.485 14.711 5.078 1.00 15.00 C ATOM 612 O PRO A 42 5.898 15.712 5.665 1.00 15.00 O ATOM 613 CB PRO A 42 3.292 15.141 6.219 1.00 15.00 C ATOM 614 CG PRO A 42 3.373 14.467 7.543 1.00 15.00 C ATOM 615 CD PRO A 42 3.379 12.993 7.255 1.00 15.00 C ATOM 0 HA PRO A 42 3.632 14.191 4.259 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.739 16.135 6.253 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.257 15.268 5.903 1.00 15.00 H new ATOM 0 HG2 PRO A 42 4.275 14.764 8.078 1.00 15.00 H new ATOM 0 HG3 PRO A 42 2.525 14.739 8.172 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.953 12.440 7.999 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.371 12.579 7.258 1.00 15.00 H new ATOM 623 N GLN A 43 6.229 13.994 4.252 1.00 15.00 N ATOM 624 CA GLN A 43 7.614 14.331 3.964 1.00 15.00 C ATOM 625 C GLN A 43 8.057 13.618 2.696 1.00 15.00 C ATOM 626 O GLN A 43 8.683 14.212 1.818 1.00 15.00 O ATOM 627 CB GLN A 43 8.516 13.936 5.136 1.00 15.00 C ATOM 628 CG GLN A 43 8.877 15.099 6.045 1.00 15.00 C ATOM 629 CD GLN A 43 10.207 15.730 5.683 1.00 15.00 C ATOM 630 OE1 GLN A 43 11.222 15.481 6.334 1.00 15.00 O ATOM 631 NE2 GLN A 43 10.209 16.551 4.640 1.00 15.00 N ATOM 0 H GLN A 43 5.892 13.165 3.763 1.00 15.00 H new ATOM 0 HA GLN A 43 7.695 15.408 3.818 1.00 15.00 H new ATOM 0 HB2 GLN A 43 8.016 13.167 5.725 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.432 13.493 4.745 1.00 15.00 H new ATOM 0 HG2 GLN A 43 8.094 15.855 5.991 1.00 15.00 H new ATOM 0 HG3 GLN A 43 8.913 14.751 7.077 1.00 15.00 H new ATOM 0 HE21 GLN A 43 9.344 16.729 4.129 1.00 15.00 H new ATOM 0 HE22 GLN A 43 11.075 17.004 4.349 1.00 15.00 H new ATOM 640 N GLY A 44 7.712 12.338 2.606 1.00 15.00 N ATOM 641 CA GLY A 44 8.064 11.557 1.441 1.00 15.00 C ATOM 642 C GLY A 44 7.026 11.664 0.340 1.00 15.00 C ATOM 643 O GLY A 44 5.837 11.882 0.605 1.00 15.00 O ATOM 0 H GLY A 44 7.194 11.829 3.322 1.00 15.00 H new ATOM 0 HA2 GLY A 44 9.029 11.891 1.061 1.00 15.00 H new ATOM 0 HA3 GLY A 44 8.179 10.512 1.728 1.00 15.00 H new ATOM 647 N ALA A 45 7.492 11.511 -0.897 1.00 15.00 N ATOM 648 CA ALA A 45 6.647 11.595 -2.091 1.00 15.00 C ATOM 649 C ALA A 45 5.282 10.928 -1.919 1.00 15.00 C ATOM 650 O ALA A 45 4.354 11.214 -2.675 1.00 15.00 O ATOM 651 CB ALA A 45 7.374 10.991 -3.283 1.00 15.00 C ATOM 0 H ALA A 45 8.473 11.324 -1.103 1.00 15.00 H new ATOM 0 HA ALA A 45 6.455 12.654 -2.262 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.740 11.057 -4.167 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.300 11.538 -3.459 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.603 9.945 -3.078 1.00 15.00 H new ATOM 657 N ALA A 46 5.152 10.040 -0.941 1.00 15.00 N ATOM 658 CA ALA A 46 3.887 9.357 -0.718 1.00 15.00 C ATOM 659 C ALA A 46 2.845 10.308 -0.136 1.00 15.00 C ATOM 660 O ALA A 46 1.898 10.691 -0.827 1.00 15.00 O ATOM 661 CB ALA A 46 4.085 8.160 0.198 1.00 15.00 C ATOM 0 H ALA A 46 5.899 9.779 -0.297 1.00 15.00 H new ATOM 0 HA ALA A 46 3.519 9.003 -1.681 1.00 15.00 H new ATOM 0 HB1 ALA A 46 3.129 7.660 0.355 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.788 7.464 -0.260 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.480 8.497 1.157 1.00 15.00 H new ATOM 667 N GLU A 47 3.020 10.697 1.127 1.00 15.00 N ATOM 668 CA GLU A 47 2.080 11.618 1.764 1.00 15.00 C ATOM 669 C GLU A 47 2.001 12.922 0.976 1.00 15.00 C ATOM 670 O GLU A 47 0.932 13.519 0.850 1.00 15.00 O ATOM 671 CB GLU A 47 2.442 11.867 3.242 1.00 15.00 C ATOM 672 CG GLU A 47 1.356 12.595 4.031 1.00 15.00 C ATOM 673 CD GLU A 47 1.076 13.998 3.520 1.00 15.00 C ATOM 674 OE1 GLU A 47 2.012 14.648 3.011 1.00 15.00 O ATOM 675 OE2 GLU A 47 -0.085 14.446 3.632 1.00 15.00 O ATOM 0 H GLU A 47 3.792 10.394 1.721 1.00 15.00 H new ATOM 0 HA GLU A 47 1.093 11.156 1.756 1.00 15.00 H new ATOM 0 HB2 GLU A 47 2.646 10.910 3.722 1.00 15.00 H new ATOM 0 HB3 GLU A 47 3.362 12.449 3.287 1.00 15.00 H new ATOM 0 HG2 GLU A 47 0.436 12.012 3.992 1.00 15.00 H new ATOM 0 HG3 GLU A 47 1.654 12.650 5.078 1.00 15.00 H new ATOM 682 N SER A 48 3.140 13.352 0.436 1.00 15.00 N ATOM 683 CA SER A 48 3.197 14.579 -0.351 1.00 15.00 C ATOM 684 C SER A 48 2.206 14.515 -1.507 1.00 15.00 C ATOM 685 O SER A 48 1.212 15.241 -1.527 1.00 15.00 O ATOM 686 CB SER A 48 4.612 14.804 -0.889 1.00 15.00 C ATOM 687 OG SER A 48 5.507 15.141 0.156 1.00 15.00 O ATOM 0 H SER A 48 4.033 12.869 0.530 1.00 15.00 H new ATOM 0 HA SER A 48 2.930 15.414 0.296 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.960 13.903 -1.394 1.00 15.00 H new ATOM 0 HB3 SER A 48 4.599 15.601 -1.632 1.00 15.00 H new ATOM 0 HG SER A 48 6.404 15.278 -0.213 1.00 15.00 H new ATOM 693 N ASP A 49 2.475 13.629 -2.460 1.00 15.00 N ATOM 694 CA ASP A 49 1.596 13.459 -3.608 1.00 15.00 C ATOM 695 C ASP A 49 0.221 12.995 -3.145 1.00 15.00 C ATOM 696 O ASP A 49 -0.804 13.405 -3.690 1.00 15.00 O ATOM 697 CB ASP A 49 2.188 12.444 -4.587 1.00 15.00 C ATOM 698 CG ASP A 49 3.247 13.055 -5.483 1.00 15.00 C ATOM 699 OD1 ASP A 49 4.429 13.071 -5.079 1.00 15.00 O ATOM 700 OD2 ASP A 49 2.895 13.518 -6.588 1.00 15.00 O ATOM 0 H ASP A 49 3.293 13.020 -2.459 1.00 15.00 H new ATOM 0 HA ASP A 49 1.497 14.418 -4.117 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.623 11.615 -4.028 1.00 15.00 H new ATOM 0 HB3 ASP A 49 1.390 12.029 -5.203 1.00 15.00 H new ATOM 705 N GLY A 50 0.214 12.136 -2.131 1.00 15.00 N ATOM 706 CA GLY A 50 -1.031 11.622 -1.599 1.00 15.00 C ATOM 707 C GLY A 50 -1.573 10.477 -2.428 1.00 15.00 C ATOM 708 O GLY A 50 -2.782 10.363 -2.630 1.00 15.00 O ATOM 0 H GLY A 50 1.053 11.787 -1.668 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -0.876 11.285 -0.574 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -1.768 12.424 -1.563 1.00 15.00 H new ATOM 712 N ARG A 51 -0.673 9.628 -2.911 1.00 15.00 N ATOM 713 CA ARG A 51 -1.060 8.485 -3.727 1.00 15.00 C ATOM 714 C ARG A 51 -1.566 7.352 -2.843 1.00 15.00 C ATOM 715 O ARG A 51 -2.671 6.842 -3.032 1.00 15.00 O ATOM 716 CB ARG A 51 0.136 8.012 -4.556 1.00 15.00 C ATOM 717 CG ARG A 51 -0.194 7.745 -6.014 1.00 15.00 C ATOM 718 CD ARG A 51 -0.586 9.017 -6.745 1.00 15.00 C ATOM 719 NE ARG A 51 -2.031 9.233 -6.742 1.00 15.00 N ATOM 720 CZ ARG A 51 -2.861 8.734 -7.656 1.00 15.00 C ATOM 721 NH1 ARG A 51 -2.396 7.985 -8.648 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.161 8.984 -7.578 1.00 15.00 N ATOM 0 H ARG A 51 0.331 9.711 -2.751 1.00 15.00 H new ATOM 0 HA ARG A 51 -1.863 8.786 -4.399 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.923 8.765 -4.503 1.00 15.00 H new ATOM 0 HB3 ARG A 51 0.536 7.101 -4.111 1.00 15.00 H new ATOM 0 HG2 ARG A 51 0.668 7.294 -6.505 1.00 15.00 H new ATOM 0 HG3 ARG A 51 -1.009 7.024 -6.076 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -0.092 9.869 -6.278 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -0.230 8.967 -7.774 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.428 9.801 -5.994 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -1.397 7.788 -8.714 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -3.037 7.606 -9.345 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -4.525 9.559 -6.818 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -4.797 8.602 -8.278 1.00 15.00 H new ATOM 736 N ILE A 52 -0.748 6.976 -1.870 1.00 15.00 N ATOM 737 CA ILE A 52 -1.088 5.919 -0.936 1.00 15.00 C ATOM 738 C ILE A 52 -1.858 6.495 0.255 1.00 15.00 C ATOM 739 O ILE A 52 -1.782 7.694 0.522 1.00 15.00 O ATOM 740 CB ILE A 52 0.196 5.213 -0.461 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.142 3.933 0.293 1.00 15.00 C ATOM 742 CG2 ILE A 52 1.042 6.150 0.390 1.00 15.00 C ATOM 743 CD1 ILE A 52 -0.769 2.879 -0.581 1.00 15.00 C ATOM 0 H ILE A 52 0.167 7.396 -1.708 1.00 15.00 H new ATOM 0 HA ILE A 52 -1.725 5.189 -1.436 1.00 15.00 H new ATOM 0 HB ILE A 52 0.783 4.938 -1.337 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.767 3.531 0.740 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -0.822 4.170 1.111 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.944 5.632 0.715 1.00 15.00 H new ATOM 0 HG22 ILE A 52 1.318 7.025 -0.198 1.00 15.00 H new ATOM 0 HG23 ILE A 52 0.470 6.465 1.263 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -0.985 1.993 0.016 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -1.695 3.264 -1.008 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.081 2.616 -1.384 1.00 15.00 H new ATOM 755 N HIS A 53 -2.618 5.654 0.955 1.00 15.00 N ATOM 756 CA HIS A 53 -3.409 6.127 2.091 1.00 15.00 C ATOM 757 C HIS A 53 -3.399 5.161 3.260 1.00 15.00 C ATOM 758 O HIS A 53 -3.078 3.982 3.123 1.00 15.00 O ATOM 759 CB HIS A 53 -4.847 6.404 1.655 1.00 15.00 C ATOM 760 CG HIS A 53 -4.960 7.485 0.624 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.144 7.229 -0.718 1.00 15.00 N ATOM 762 CD2 HIS A 53 -4.913 8.833 0.745 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.204 8.373 -1.378 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.067 9.361 -0.513 1.00 15.00 N ATOM 0 H HIS A 53 -2.703 4.656 0.760 1.00 15.00 H new ATOM 0 HA HIS A 53 -2.943 7.050 2.436 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.281 5.487 1.257 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -5.436 6.683 2.529 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -4.779 9.389 1.661 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.342 8.481 -2.444 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.074 10.355 -0.742 1.00 15.00 H new ATOM 773 N LYS A 54 -3.743 5.711 4.418 1.00 15.00 N ATOM 774 CA LYS A 54 -3.778 4.979 5.671 1.00 15.00 C ATOM 775 C LYS A 54 -4.430 3.600 5.532 1.00 15.00 C ATOM 776 O LYS A 54 -5.489 3.459 4.919 1.00 15.00 O ATOM 777 CB LYS A 54 -4.527 5.798 6.725 1.00 15.00 C ATOM 778 CG LYS A 54 -3.683 6.147 7.937 1.00 15.00 C ATOM 779 CD LYS A 54 -4.505 6.123 9.216 1.00 15.00 C ATOM 780 CE LYS A 54 -4.782 4.700 9.674 1.00 15.00 C ATOM 781 NZ LYS A 54 -5.231 4.648 11.093 1.00 15.00 N ATOM 0 H LYS A 54 -4.009 6.691 4.511 1.00 15.00 H new ATOM 0 HA LYS A 54 -2.745 4.818 5.979 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -4.889 6.719 6.268 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.403 5.239 7.052 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -2.857 5.441 8.021 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.245 7.136 7.804 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -3.974 6.662 10.001 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.448 6.644 9.053 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.546 4.256 9.036 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -3.880 4.099 9.557 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -5.409 3.660 11.365 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -4.492 5.048 11.706 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -6.106 5.200 11.201 1.00 15.00 H new ATOM 795 N GLY A 55 -3.790 2.590 6.122 1.00 15.00 N ATOM 796 CA GLY A 55 -4.312 1.232 6.078 1.00 15.00 C ATOM 797 C GLY A 55 -4.686 0.781 4.686 1.00 15.00 C ATOM 798 O GLY A 55 -5.608 -0.018 4.517 1.00 15.00 O ATOM 0 H GLY A 55 -2.913 2.690 6.633 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.566 0.550 6.485 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.189 1.166 6.722 1.00 15.00 H new ATOM 802 N ASP A 56 -3.969 1.273 3.686 1.00 15.00 N ATOM 803 CA ASP A 56 -4.245 0.881 2.314 1.00 15.00 C ATOM 804 C ASP A 56 -3.943 -0.600 2.128 1.00 15.00 C ATOM 805 O ASP A 56 -2.823 -1.047 2.380 1.00 15.00 O ATOM 806 CB ASP A 56 -3.420 1.718 1.335 1.00 15.00 C ATOM 807 CG ASP A 56 -4.247 2.778 0.634 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.481 2.796 0.826 1.00 15.00 O ATOM 809 OD2 ASP A 56 -3.661 3.592 -0.110 1.00 15.00 O ATOM 0 H ASP A 56 -3.202 1.936 3.797 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.300 1.058 2.107 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -2.602 2.197 1.872 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -2.971 1.061 0.590 1.00 15.00 H new ATOM 814 N ARG A 57 -4.946 -1.359 1.694 1.00 15.00 N ATOM 815 CA ARG A 57 -4.779 -2.790 1.481 1.00 15.00 C ATOM 816 C ARG A 57 -4.113 -3.053 0.137 1.00 15.00 C ATOM 817 O ARG A 57 -4.789 -3.275 -0.868 1.00 15.00 O ATOM 818 CB ARG A 57 -6.133 -3.496 1.544 1.00 15.00 C ATOM 819 CG ARG A 57 -6.038 -5.009 1.443 1.00 15.00 C ATOM 820 CD ARG A 57 -7.377 -5.623 1.072 1.00 15.00 C ATOM 821 NE ARG A 57 -7.242 -7.005 0.618 1.00 15.00 N ATOM 822 CZ ARG A 57 -7.277 -8.060 1.428 1.00 15.00 C ATOM 823 NH1 ARG A 57 -7.432 -7.899 2.737 1.00 15.00 N ATOM 824 NH2 ARG A 57 -7.154 -9.283 0.929 1.00 15.00 N ATOM 0 H ARG A 57 -5.880 -1.006 1.484 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.139 -3.185 2.270 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.627 -3.233 2.480 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.764 -3.126 0.736 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.292 -5.280 0.696 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -5.699 -5.418 2.395 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -8.042 -5.589 1.935 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -7.843 -5.028 0.287 1.00 15.00 H new ATOM 0 HE ARG A 57 -7.113 -7.171 -0.380 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -7.525 -6.962 3.128 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -7.458 -8.713 3.351 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -7.033 -9.414 -0.075 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -7.181 -10.092 1.550 1.00 15.00 H new ATOM 838 N VAL A 58 -2.785 -3.014 0.122 1.00 15.00 N ATOM 839 CA VAL A 58 -2.038 -3.236 -1.107 1.00 15.00 C ATOM 840 C VAL A 58 -1.925 -4.723 -1.434 1.00 15.00 C ATOM 841 O VAL A 58 -1.418 -5.521 -0.631 1.00 15.00 O ATOM 842 CB VAL A 58 -0.633 -2.588 -1.050 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.678 -1.272 -0.286 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.391 -3.526 -0.436 1.00 15.00 C ATOM 0 H VAL A 58 -2.208 -2.832 0.943 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.599 -2.753 -1.907 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.323 -2.385 -2.075 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.319 -0.833 -0.258 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.362 -0.585 -0.784 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.023 -1.454 0.732 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.365 -3.037 -0.413 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.088 -3.780 0.580 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.456 -4.435 -1.034 1.00 15.00 H new ATOM 854 N LEU A 59 -2.423 -5.081 -2.618 1.00 15.00 N ATOM 855 CA LEU A 59 -2.398 -6.465 -3.084 1.00 15.00 C ATOM 856 C LEU A 59 -1.379 -6.673 -4.210 1.00 15.00 C ATOM 857 O LEU A 59 -1.043 -7.808 -4.541 1.00 15.00 O ATOM 858 CB LEU A 59 -3.787 -6.894 -3.561 1.00 15.00 C ATOM 859 CG LEU A 59 -4.668 -7.548 -2.494 1.00 15.00 C ATOM 860 CD1 LEU A 59 -4.157 -8.941 -2.160 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.724 -6.684 -1.244 1.00 15.00 C ATOM 0 H LEU A 59 -2.850 -4.427 -3.274 1.00 15.00 H new ATOM 0 HA LEU A 59 -2.096 -7.083 -2.238 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.306 -6.019 -3.952 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.670 -7.592 -4.390 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.679 -7.640 -2.892 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -4.796 -9.390 -1.400 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -4.172 -9.559 -3.058 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -3.137 -8.873 -1.783 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.355 -7.165 -0.497 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.718 -6.558 -0.843 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -5.139 -5.708 -1.495 1.00 15.00 H new ATOM 873 N ALA A 60 -0.914 -5.582 -4.819 1.00 15.00 N ATOM 874 CA ALA A 60 0.038 -5.678 -5.926 1.00 15.00 C ATOM 875 C ALA A 60 1.001 -4.492 -5.966 1.00 15.00 C ATOM 876 O ALA A 60 0.644 -3.371 -5.607 1.00 15.00 O ATOM 877 CB ALA A 60 -0.714 -5.780 -7.245 1.00 15.00 C ATOM 0 H ALA A 60 -1.178 -4.629 -4.568 1.00 15.00 H new ATOM 0 HA ALA A 60 0.635 -6.576 -5.768 1.00 15.00 H new ATOM 0 HB1 ALA A 60 -0.001 -5.851 -8.066 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.346 -6.668 -7.236 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.335 -4.894 -7.379 1.00 15.00 H new ATOM 883 N VAL A 61 2.220 -4.757 -6.430 1.00 15.00 N ATOM 884 CA VAL A 61 3.253 -3.732 -6.558 1.00 15.00 C ATOM 885 C VAL A 61 4.005 -3.932 -7.862 1.00 15.00 C ATOM 886 O VAL A 61 4.830 -4.838 -7.978 1.00 15.00 O ATOM 887 CB VAL A 61 4.259 -3.769 -5.391 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.239 -2.611 -5.499 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.538 -3.743 -4.053 1.00 15.00 C ATOM 0 H VAL A 61 2.519 -5.686 -6.727 1.00 15.00 H new ATOM 0 HA VAL A 61 2.755 -2.763 -6.542 1.00 15.00 H new ATOM 0 HB VAL A 61 4.820 -4.702 -5.451 1.00 15.00 H new ATOM 0 HG11 VAL A 61 5.943 -2.651 -4.668 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.784 -2.683 -6.440 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.693 -1.668 -5.467 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.269 -3.770 -3.245 1.00 15.00 H new ATOM 0 HG22 VAL A 61 2.946 -2.831 -3.976 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.881 -4.609 -3.977 1.00 15.00 H new ATOM 899 N ASN A 62 3.692 -3.109 -8.857 1.00 15.00 N ATOM 900 CA ASN A 62 4.321 -3.234 -10.163 1.00 15.00 C ATOM 901 C ASN A 62 3.929 -4.567 -10.800 1.00 15.00 C ATOM 902 O ASN A 62 4.537 -5.007 -11.776 1.00 15.00 O ATOM 903 CB ASN A 62 5.844 -3.129 -10.043 1.00 15.00 C ATOM 904 CG ASN A 62 6.338 -1.705 -10.205 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.350 -1.458 -10.860 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.624 -0.758 -9.606 1.00 15.00 N ATOM 0 H ASN A 62 3.011 -2.353 -8.783 1.00 15.00 H new ATOM 0 HA ASN A 62 3.974 -2.419 -10.798 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.157 -3.511 -9.071 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.310 -3.761 -10.799 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.909 0.219 -9.680 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.791 -1.008 -9.073 1.00 15.00 H new ATOM 913 N GLY A 63 2.899 -5.203 -10.234 1.00 15.00 N ATOM 914 CA GLY A 63 2.425 -6.474 -10.744 1.00 15.00 C ATOM 915 C GLY A 63 2.784 -7.649 -9.852 1.00 15.00 C ATOM 916 O GLY A 63 2.539 -8.800 -10.213 1.00 15.00 O ATOM 0 H GLY A 63 2.385 -4.853 -9.426 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.342 -6.431 -10.858 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.844 -6.639 -11.737 1.00 15.00 H new ATOM 920 N VAL A 64 3.351 -7.370 -8.681 1.00 15.00 N ATOM 921 CA VAL A 64 3.716 -8.430 -7.749 1.00 15.00 C ATOM 922 C VAL A 64 2.592 -8.671 -6.743 1.00 15.00 C ATOM 923 O VAL A 64 2.377 -7.877 -5.828 1.00 15.00 O ATOM 924 CB VAL A 64 5.034 -8.115 -7.004 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.828 -7.054 -5.937 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.619 -9.381 -6.398 1.00 15.00 C ATOM 0 H VAL A 64 3.566 -6.427 -8.358 1.00 15.00 H new ATOM 0 HA VAL A 64 3.873 -9.335 -8.336 1.00 15.00 H new ATOM 0 HB VAL A 64 5.742 -7.718 -7.731 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.774 -6.857 -5.433 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.466 -6.137 -6.401 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.096 -7.406 -5.210 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.546 -9.141 -5.878 1.00 15.00 H new ATOM 0 HG22 VAL A 64 4.907 -9.809 -5.692 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.824 -10.102 -7.189 1.00 15.00 H new ATOM 936 N SER A 65 1.868 -9.767 -6.927 1.00 15.00 N ATOM 937 CA SER A 65 0.759 -10.104 -6.043 1.00 15.00 C ATOM 938 C SER A 65 1.228 -10.236 -4.598 1.00 15.00 C ATOM 939 O SER A 65 2.127 -11.021 -4.293 1.00 15.00 O ATOM 940 CB SER A 65 0.094 -11.404 -6.496 1.00 15.00 C ATOM 941 OG SER A 65 0.203 -11.571 -7.899 1.00 15.00 O ATOM 0 H SER A 65 2.028 -10.437 -7.679 1.00 15.00 H new ATOM 0 HA SER A 65 0.032 -9.294 -6.095 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.559 -12.250 -5.989 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.957 -11.398 -6.208 1.00 15.00 H new ATOM 0 HG SER A 65 -0.228 -12.410 -8.163 1.00 15.00 H new ATOM 947 N LEU A 66 0.610 -9.461 -3.714 1.00 15.00 N ATOM 948 CA LEU A 66 0.953 -9.484 -2.299 1.00 15.00 C ATOM 949 C LEU A 66 0.079 -10.477 -1.538 1.00 15.00 C ATOM 950 O LEU A 66 0.407 -10.869 -0.418 1.00 15.00 O ATOM 951 CB LEU A 66 0.802 -8.086 -1.696 1.00 15.00 C ATOM 952 CG LEU A 66 1.953 -7.645 -0.792 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.237 -6.162 -0.972 1.00 15.00 C ATOM 954 CD2 LEU A 66 1.635 -7.956 0.663 1.00 15.00 C ATOM 0 H LEU A 66 -0.134 -8.807 -3.955 1.00 15.00 H new ATOM 0 HA LEU A 66 1.991 -9.803 -2.209 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.701 -7.366 -2.508 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.124 -8.052 -1.122 1.00 15.00 H new ATOM 0 HG LEU A 66 2.846 -8.201 -1.076 1.00 15.00 H new ATOM 0 HD11 LEU A 66 3.059 -5.867 -0.320 1.00 15.00 H new ATOM 0 HD12 LEU A 66 2.508 -5.967 -2.009 1.00 15.00 H new ATOM 0 HD13 LEU A 66 1.347 -5.587 -0.716 1.00 15.00 H new ATOM 0 HD21 LEU A 66 2.465 -7.636 1.293 1.00 15.00 H new ATOM 0 HD22 LEU A 66 0.729 -7.427 0.959 1.00 15.00 H new ATOM 0 HD23 LEU A 66 1.483 -9.029 0.781 1.00 15.00 H new ATOM 966 N GLU A 67 -1.036 -10.880 -2.151 1.00 15.00 N ATOM 967 CA GLU A 67 -1.960 -11.829 -1.531 1.00 15.00 C ATOM 968 C GLU A 67 -1.208 -12.981 -0.869 1.00 15.00 C ATOM 969 O GLU A 67 -0.851 -13.961 -1.523 1.00 15.00 O ATOM 970 CB GLU A 67 -2.932 -12.378 -2.578 1.00 15.00 C ATOM 971 CG GLU A 67 -4.245 -12.870 -1.994 1.00 15.00 C ATOM 972 CD GLU A 67 -5.366 -11.860 -2.144 1.00 15.00 C ATOM 973 OE1 GLU A 67 -5.633 -11.436 -3.288 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.976 -11.492 -1.118 1.00 15.00 O ATOM 0 H GLU A 67 -1.320 -10.563 -3.078 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.519 -11.298 -0.760 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -3.140 -11.599 -3.311 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.452 -13.198 -3.112 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.531 -13.800 -2.485 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -4.105 -13.098 -0.937 1.00 15.00 H new ATOM 981 N GLY A 68 -0.966 -12.851 0.431 1.00 15.00 N ATOM 982 CA GLY A 68 -0.253 -13.883 1.161 1.00 15.00 C ATOM 983 C GLY A 68 1.154 -13.456 1.535 1.00 15.00 C ATOM 984 O GLY A 68 2.130 -13.949 0.969 1.00 15.00 O ATOM 0 H GLY A 68 -1.251 -12.049 0.993 1.00 15.00 H new ATOM 0 HA2 GLY A 68 -0.807 -14.134 2.066 1.00 15.00 H new ATOM 0 HA3 GLY A 68 -0.207 -14.788 0.555 1.00 15.00 H new ATOM 988 N ALA A 69 1.257 -12.533 2.486 1.00 15.00 N ATOM 989 CA ALA A 69 2.552 -12.036 2.931 1.00 15.00 C ATOM 990 C ALA A 69 2.402 -11.117 4.141 1.00 15.00 C ATOM 991 O ALA A 69 1.292 -10.728 4.504 1.00 15.00 O ATOM 992 CB ALA A 69 3.248 -11.309 1.792 1.00 15.00 C ATOM 0 H ALA A 69 0.458 -12.115 2.963 1.00 15.00 H new ATOM 0 HA ALA A 69 3.162 -12.887 3.233 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.216 -10.940 2.133 1.00 15.00 H new ATOM 0 HB2 ALA A 69 3.394 -11.995 0.958 1.00 15.00 H new ATOM 0 HB3 ALA A 69 2.634 -10.469 1.467 1.00 15.00 H new ATOM 998 N THR A 70 3.524 -10.777 4.767 1.00 15.00 N ATOM 999 CA THR A 70 3.512 -9.908 5.940 1.00 15.00 C ATOM 1000 C THR A 70 3.717 -8.444 5.548 1.00 15.00 C ATOM 1001 O THR A 70 3.776 -8.108 4.365 1.00 15.00 O ATOM 1002 CB THR A 70 4.597 -10.338 6.927 1.00 15.00 C ATOM 1003 OG1 THR A 70 5.877 -9.937 6.472 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.639 -11.834 7.155 1.00 15.00 C ATOM 0 H THR A 70 4.452 -11.089 4.483 1.00 15.00 H new ATOM 0 HA THR A 70 2.535 -10.000 6.415 1.00 15.00 H new ATOM 0 HB THR A 70 4.342 -9.850 7.868 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.557 -10.220 7.118 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.431 -12.072 7.865 1.00 15.00 H new ATOM 0 HG22 THR A 70 3.681 -12.168 7.554 1.00 15.00 H new ATOM 0 HG23 THR A 70 4.835 -12.341 6.210 1.00 15.00 H new ATOM 1012 N HIS A 71 3.821 -7.582 6.556 1.00 15.00 N ATOM 1013 CA HIS A 71 4.017 -6.151 6.340 1.00 15.00 C ATOM 1014 C HIS A 71 5.373 -5.886 5.698 1.00 15.00 C ATOM 1015 O HIS A 71 5.452 -5.325 4.605 1.00 15.00 O ATOM 1016 CB HIS A 71 3.860 -5.411 7.678 1.00 15.00 C ATOM 1017 CG HIS A 71 4.733 -4.208 7.881 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.080 -3.755 9.135 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.292 -3.343 7.004 1.00 15.00 C ATOM 1020 CE1 HIS A 71 5.807 -2.661 9.021 1.00 15.00 C ATOM 1021 NE2 HIS A 71 5.958 -2.390 7.737 1.00 15.00 N ATOM 0 H HIS A 71 3.772 -7.853 7.538 1.00 15.00 H new ATOM 0 HA HIS A 71 3.261 -5.776 5.650 1.00 15.00 H new ATOM 0 HB2 HIS A 71 2.820 -5.099 7.776 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.058 -6.117 8.484 1.00 15.00 H new ATOM 0 HD1 HIS A 71 4.815 -4.197 10.015 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.227 -3.392 5.927 1.00 15.00 H new ATOM 0 HE1 HIS A 71 6.211 -2.084 9.839 1.00 15.00 H new ATOM 1030 N LYS A 72 6.436 -6.310 6.368 1.00 15.00 N ATOM 1031 CA LYS A 72 7.784 -6.132 5.839 1.00 15.00 C ATOM 1032 C LYS A 72 7.856 -6.678 4.423 1.00 15.00 C ATOM 1033 O LYS A 72 8.599 -6.171 3.586 1.00 15.00 O ATOM 1034 CB LYS A 72 8.800 -6.843 6.733 1.00 15.00 C ATOM 1035 CG LYS A 72 10.241 -6.478 6.424 1.00 15.00 C ATOM 1036 CD LYS A 72 11.214 -7.316 7.237 1.00 15.00 C ATOM 1037 CE LYS A 72 11.383 -8.706 6.644 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.034 -8.663 5.305 1.00 15.00 N ATOM 0 H LYS A 72 6.393 -6.777 7.274 1.00 15.00 H new ATOM 0 HA LYS A 72 8.022 -5.068 5.822 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.588 -6.601 7.774 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.676 -7.920 6.625 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.434 -6.623 5.361 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.403 -5.421 6.636 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.182 -6.816 7.276 1.00 15.00 H new ATOM 0 HD3 LYS A 72 10.856 -7.398 8.263 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.981 -9.318 7.319 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.408 -9.185 6.558 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 12.522 -9.564 5.127 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 11.312 -8.510 4.573 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 12.723 -7.885 5.279 1.00 15.00 H new ATOM 1052 N GLN A 73 7.056 -7.703 4.155 1.00 15.00 N ATOM 1053 CA GLN A 73 7.010 -8.301 2.832 1.00 15.00 C ATOM 1054 C GLN A 73 6.596 -7.251 1.811 1.00 15.00 C ATOM 1055 O GLN A 73 7.252 -7.076 0.784 1.00 15.00 O ATOM 1056 CB GLN A 73 6.033 -9.475 2.808 1.00 15.00 C ATOM 1057 CG GLN A 73 6.424 -10.572 1.830 1.00 15.00 C ATOM 1058 CD GLN A 73 6.346 -11.956 2.444 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.668 -12.164 3.451 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.042 -12.912 1.840 1.00 15.00 N ATOM 0 H GLN A 73 6.432 -8.135 4.837 1.00 15.00 H new ATOM 0 HA GLN A 73 8.002 -8.676 2.579 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.964 -9.900 3.809 1.00 15.00 H new ATOM 0 HB3 GLN A 73 5.041 -9.106 2.549 1.00 15.00 H new ATOM 0 HG2 GLN A 73 5.770 -10.527 0.959 1.00 15.00 H new ATOM 0 HG3 GLN A 73 7.439 -10.393 1.475 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.590 -12.695 1.008 1.00 15.00 H new ATOM 0 HE22 GLN A 73 7.028 -13.863 2.208 1.00 15.00 H new ATOM 1069 N ALA A 74 5.517 -6.529 2.114 1.00 15.00 N ATOM 1070 CA ALA A 74 5.047 -5.476 1.230 1.00 15.00 C ATOM 1071 C ALA A 74 6.059 -4.347 1.202 1.00 15.00 C ATOM 1072 O ALA A 74 6.427 -3.856 0.137 1.00 15.00 O ATOM 1073 CB ALA A 74 3.694 -4.960 1.673 1.00 15.00 C ATOM 0 H ALA A 74 4.960 -6.656 2.959 1.00 15.00 H new ATOM 0 HA ALA A 74 4.936 -5.886 0.226 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.365 -4.173 0.995 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.971 -5.776 1.660 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.771 -4.559 2.684 1.00 15.00 H new ATOM 1079 N VAL A 75 6.531 -3.961 2.389 1.00 15.00 N ATOM 1080 CA VAL A 75 7.537 -2.913 2.513 1.00 15.00 C ATOM 1081 C VAL A 75 8.586 -3.112 1.434 1.00 15.00 C ATOM 1082 O VAL A 75 9.022 -2.168 0.779 1.00 15.00 O ATOM 1083 CB VAL A 75 8.191 -2.952 3.918 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.670 -3.321 3.855 1.00 15.00 C ATOM 1085 CG2 VAL A 75 8.006 -1.634 4.643 1.00 15.00 C ATOM 0 H VAL A 75 6.230 -4.361 3.278 1.00 15.00 H new ATOM 0 HA VAL A 75 7.066 -1.938 2.390 1.00 15.00 H new ATOM 0 HB VAL A 75 7.681 -3.734 4.480 1.00 15.00 H new ATOM 0 HG11 VAL A 75 10.085 -3.336 4.863 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.780 -4.307 3.403 1.00 15.00 H new ATOM 0 HG13 VAL A 75 10.203 -2.585 3.254 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.475 -1.690 5.626 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.468 -0.833 4.066 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.942 -1.429 4.760 1.00 15.00 H new ATOM 1095 N GLU A 76 8.953 -4.370 1.246 1.00 15.00 N ATOM 1096 CA GLU A 76 9.920 -4.739 0.233 1.00 15.00 C ATOM 1097 C GLU A 76 9.347 -4.498 -1.161 1.00 15.00 C ATOM 1098 O GLU A 76 10.022 -3.943 -2.023 1.00 15.00 O ATOM 1099 CB GLU A 76 10.320 -6.208 0.391 1.00 15.00 C ATOM 1100 CG GLU A 76 10.796 -6.562 1.792 1.00 15.00 C ATOM 1101 CD GLU A 76 10.402 -7.967 2.204 1.00 15.00 C ATOM 1102 OE1 GLU A 76 10.374 -8.856 1.327 1.00 15.00 O ATOM 1103 OE2 GLU A 76 10.121 -8.178 3.402 1.00 15.00 O ATOM 0 H GLU A 76 8.591 -5.155 1.787 1.00 15.00 H new ATOM 0 HA GLU A 76 10.807 -4.118 0.359 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.467 -6.838 0.136 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.111 -6.439 -0.322 1.00 15.00 H new ATOM 0 HG2 GLU A 76 11.881 -6.464 1.839 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.381 -5.849 2.504 1.00 15.00 H new ATOM 1110 N THR A 77 8.096 -4.914 -1.379 1.00 15.00 N ATOM 1111 CA THR A 77 7.452 -4.733 -2.680 1.00 15.00 C ATOM 1112 C THR A 77 7.275 -3.255 -3.017 1.00 15.00 C ATOM 1113 O THR A 77 7.714 -2.798 -4.072 1.00 15.00 O ATOM 1114 CB THR A 77 6.101 -5.445 -2.727 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.244 -4.972 -1.705 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.210 -6.947 -2.583 1.00 15.00 C ATOM 0 H THR A 77 7.515 -5.374 -0.678 1.00 15.00 H new ATOM 0 HA THR A 77 8.109 -5.177 -3.428 1.00 15.00 H new ATOM 0 HB THR A 77 5.693 -5.221 -3.713 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.741 -4.367 -1.115 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.215 -7.390 -2.625 1.00 15.00 H new ATOM 0 HG22 THR A 77 6.820 -7.347 -3.393 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.674 -7.188 -1.627 1.00 15.00 H new ATOM 1124 N LEU A 78 6.631 -2.506 -2.120 1.00 15.00 N ATOM 1125 CA LEU A 78 6.408 -1.078 -2.346 1.00 15.00 C ATOM 1126 C LEU A 78 7.727 -0.392 -2.656 1.00 15.00 C ATOM 1127 O LEU A 78 7.834 0.393 -3.599 1.00 15.00 O ATOM 1128 CB LEU A 78 5.772 -0.415 -1.118 1.00 15.00 C ATOM 1129 CG LEU A 78 4.718 -1.245 -0.387 1.00 15.00 C ATOM 1130 CD1 LEU A 78 4.119 -0.448 0.762 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.628 -1.697 -1.349 1.00 15.00 C ATOM 0 H LEU A 78 6.258 -2.860 -1.239 1.00 15.00 H new ATOM 0 HA LEU A 78 5.726 -0.974 -3.190 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.564 -0.165 -0.412 1.00 15.00 H new ATOM 0 HB3 LEU A 78 5.315 0.524 -1.431 1.00 15.00 H new ATOM 0 HG LEU A 78 5.202 -2.132 0.022 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.370 -1.053 1.273 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.906 -0.175 1.465 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.651 0.456 0.373 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.887 -2.287 -0.809 1.00 15.00 H new ATOM 0 HD22 LEU A 78 3.146 -0.824 -1.789 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.069 -2.305 -2.139 1.00 15.00 H new ATOM 1143 N ARG A 79 8.729 -0.708 -1.852 1.00 15.00 N ATOM 1144 CA ARG A 79 10.057 -0.145 -2.017 1.00 15.00 C ATOM 1145 C ARG A 79 10.713 -0.667 -3.295 1.00 15.00 C ATOM 1146 O ARG A 79 11.081 0.109 -4.177 1.00 15.00 O ATOM 1147 CB ARG A 79 10.911 -0.488 -0.795 1.00 15.00 C ATOM 1148 CG ARG A 79 11.960 0.562 -0.465 1.00 15.00 C ATOM 1149 CD ARG A 79 12.069 0.792 1.035 1.00 15.00 C ATOM 1150 NE ARG A 79 13.395 0.457 1.548 1.00 15.00 N ATOM 1151 CZ ARG A 79 14.447 1.269 1.471 1.00 15.00 C ATOM 1152 NH1 ARG A 79 14.335 2.457 0.890 1.00 15.00 N ATOM 1153 NH2 ARG A 79 15.615 0.892 1.974 1.00 15.00 N ATOM 0 H ARG A 79 8.645 -1.359 -1.071 1.00 15.00 H new ATOM 0 HA ARG A 79 9.974 0.938 -2.104 1.00 15.00 H new ATOM 0 HB2 ARG A 79 10.258 -0.619 0.068 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.408 -1.443 -0.967 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.927 0.247 -0.857 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.706 1.499 -0.960 1.00 15.00 H new ATOM 0 HD2 ARG A 79 11.848 1.836 1.258 1.00 15.00 H new ATOM 0 HD3 ARG A 79 11.319 0.190 1.549 1.00 15.00 H new ATOM 0 HE ARG A 79 13.522 -0.453 1.991 1.00 15.00 H new ATOM 0 HH11 ARG A 79 13.440 2.752 0.500 1.00 15.00 H new ATOM 0 HH12 ARG A 79 15.144 3.075 0.834 1.00 15.00 H new ATOM 0 HH21 ARG A 79 15.707 -0.021 2.420 1.00 15.00 H new ATOM 0 HH22 ARG A 79 16.421 1.515 1.915 1.00 15.00 H new ATOM 1167 N ASN A 80 10.859 -1.988 -3.383 1.00 15.00 N ATOM 1168 CA ASN A 80 11.473 -2.631 -4.547 1.00 15.00 C ATOM 1169 C ASN A 80 10.631 -2.467 -5.816 1.00 15.00 C ATOM 1170 O ASN A 80 10.266 -3.456 -6.454 1.00 15.00 O ATOM 1171 CB ASN A 80 11.701 -4.121 -4.277 1.00 15.00 C ATOM 1172 CG ASN A 80 12.874 -4.371 -3.348 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.938 -4.813 -3.781 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.688 -4.089 -2.063 1.00 15.00 N ATOM 0 H ASN A 80 10.559 -2.639 -2.658 1.00 15.00 H new ATOM 0 HA ASN A 80 12.429 -2.134 -4.713 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.799 -4.550 -3.841 1.00 15.00 H new ATOM 0 HB3 ASN A 80 11.874 -4.636 -5.222 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.443 -4.237 -1.394 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.790 -3.724 -1.746 1.00 15.00 H new ATOM 1181 N THR A 81 10.339 -1.228 -6.198 1.00 15.00 N ATOM 1182 CA THR A 81 9.563 -0.975 -7.408 1.00 15.00 C ATOM 1183 C THR A 81 10.501 -0.696 -8.579 1.00 15.00 C ATOM 1184 O THR A 81 10.708 -1.555 -9.437 1.00 15.00 O ATOM 1185 CB THR A 81 8.591 0.191 -7.202 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.827 0.832 -5.961 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.137 -0.233 -7.230 1.00 15.00 C ATOM 0 H THR A 81 10.625 -0.389 -5.693 1.00 15.00 H new ATOM 0 HA THR A 81 8.973 -1.863 -7.634 1.00 15.00 H new ATOM 0 HB THR A 81 8.774 0.869 -8.035 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.291 0.400 -5.263 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.501 0.639 -7.078 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.908 -0.685 -8.195 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.954 -0.958 -6.437 1.00 15.00 H new ATOM 1195 N GLY A 82 11.086 0.500 -8.599 1.00 15.00 N ATOM 1196 CA GLY A 82 12.014 0.851 -9.656 1.00 15.00 C ATOM 1197 C GLY A 82 11.607 2.087 -10.433 1.00 15.00 C ATOM 1198 O GLY A 82 11.776 3.213 -9.965 1.00 15.00 O ATOM 0 H GLY A 82 10.933 1.229 -7.903 1.00 15.00 H new ATOM 0 HA2 GLY A 82 13.001 1.013 -9.223 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.102 0.011 -10.345 1.00 15.00 H new ATOM 1202 N GLN A 83 11.094 1.868 -11.635 1.00 15.00 N ATOM 1203 CA GLN A 83 10.681 2.961 -12.514 1.00 15.00 C ATOM 1204 C GLN A 83 9.539 3.781 -11.913 1.00 15.00 C ATOM 1205 O GLN A 83 9.771 4.816 -11.290 1.00 15.00 O ATOM 1206 CB GLN A 83 10.277 2.423 -13.894 1.00 15.00 C ATOM 1207 CG GLN A 83 9.613 1.053 -13.860 1.00 15.00 C ATOM 1208 CD GLN A 83 8.411 0.965 -14.780 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.820 1.980 -15.147 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.042 -0.255 -15.156 1.00 15.00 N ATOM 0 H GLN A 83 10.952 0.938 -12.029 1.00 15.00 H new ATOM 0 HA GLN A 83 11.539 3.623 -12.627 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.596 3.133 -14.363 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.165 2.369 -14.524 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.341 0.293 -14.145 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.302 0.829 -12.840 1.00 15.00 H new ATOM 0 HE21 GLN A 83 8.561 -1.069 -14.827 1.00 15.00 H new ATOM 0 HE22 GLN A 83 7.239 -0.377 -15.773 1.00 15.00 H new ATOM 1219 N VAL A 84 8.307 3.323 -12.113 1.00 15.00 N ATOM 1220 CA VAL A 84 7.134 4.021 -11.602 1.00 15.00 C ATOM 1221 C VAL A 84 6.496 3.238 -10.458 1.00 15.00 C ATOM 1222 O VAL A 84 6.722 2.036 -10.311 1.00 15.00 O ATOM 1223 CB VAL A 84 6.096 4.245 -12.727 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.775 4.764 -12.174 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.650 5.207 -13.765 1.00 15.00 C ATOM 0 H VAL A 84 8.096 2.468 -12.628 1.00 15.00 H new ATOM 0 HA VAL A 84 7.459 4.991 -11.226 1.00 15.00 H new ATOM 0 HB VAL A 84 5.901 3.283 -13.200 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.070 4.910 -12.992 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.367 4.041 -11.468 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.941 5.713 -11.665 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.911 5.358 -14.552 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.876 6.163 -13.292 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.561 4.792 -14.197 1.00 15.00 H new ATOM 1235 N VAL A 85 5.698 3.922 -9.652 1.00 15.00 N ATOM 1236 CA VAL A 85 5.034 3.289 -8.527 1.00 15.00 C ATOM 1237 C VAL A 85 3.601 2.913 -8.898 1.00 15.00 C ATOM 1238 O VAL A 85 2.652 3.630 -8.579 1.00 15.00 O ATOM 1239 CB VAL A 85 5.050 4.225 -7.296 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.985 3.844 -6.280 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.429 4.227 -6.654 1.00 15.00 C ATOM 0 H VAL A 85 5.496 4.916 -9.758 1.00 15.00 H new ATOM 0 HA VAL A 85 5.574 2.377 -8.272 1.00 15.00 H new ATOM 0 HB VAL A 85 4.819 5.232 -7.643 1.00 15.00 H new ATOM 0 HG11 VAL A 85 4.031 4.527 -5.431 1.00 15.00 H new ATOM 0 HG12 VAL A 85 3.001 3.907 -6.744 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.159 2.825 -5.935 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.427 4.890 -5.789 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.684 3.216 -6.336 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.166 4.577 -7.377 1.00 15.00 H new ATOM 1251 N HIS A 86 3.459 1.778 -9.577 1.00 15.00 N ATOM 1252 CA HIS A 86 2.150 1.290 -9.997 1.00 15.00 C ATOM 1253 C HIS A 86 1.657 0.214 -9.039 1.00 15.00 C ATOM 1254 O HIS A 86 1.875 -0.977 -9.257 1.00 15.00 O ATOM 1255 CB HIS A 86 2.219 0.733 -11.420 1.00 15.00 C ATOM 1256 CG HIS A 86 0.931 0.851 -12.174 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.224 1.361 -11.619 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.618 0.522 -13.450 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.190 1.340 -12.519 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.705 0.836 -13.639 1.00 15.00 N ATOM 0 H HIS A 86 4.238 1.178 -9.849 1.00 15.00 H new ATOM 0 HA HIS A 86 1.449 2.124 -9.982 1.00 15.00 H new ATOM 0 HB2 HIS A 86 3.001 1.258 -11.969 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.510 -0.317 -11.376 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.285 0.092 -14.183 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.204 1.678 -12.365 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.228 0.702 -14.504 1.00 15.00 H new ATOM 1269 N LEU A 87 1.009 0.647 -7.966 1.00 15.00 N ATOM 1270 CA LEU A 87 0.501 -0.269 -6.956 1.00 15.00 C ATOM 1271 C LEU A 87 -1.009 -0.454 -7.070 1.00 15.00 C ATOM 1272 O LEU A 87 -1.760 0.514 -7.067 1.00 15.00 O ATOM 1273 CB LEU A 87 0.853 0.258 -5.564 1.00 15.00 C ATOM 1274 CG LEU A 87 1.811 -0.620 -4.767 1.00 15.00 C ATOM 1275 CD1 LEU A 87 2.931 0.214 -4.158 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.054 -1.374 -3.687 1.00 15.00 C ATOM 0 H LEU A 87 0.823 1.631 -7.773 1.00 15.00 H new ATOM 0 HA LEU A 87 0.969 -1.240 -7.117 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.294 1.250 -5.668 1.00 15.00 H new ATOM 0 HB3 LEU A 87 -0.068 0.377 -4.993 1.00 15.00 H new ATOM 0 HG LEU A 87 2.263 -1.344 -5.445 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.602 -0.434 -3.594 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.488 0.710 -4.952 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.505 0.964 -3.491 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.748 -1.998 -3.124 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.577 -0.663 -3.013 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.293 -2.003 -4.148 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.446 -1.707 -7.145 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.870 -2.020 -7.230 1.00 15.00 C ATOM 1290 C LEU A 88 -3.372 -2.484 -5.869 1.00 15.00 C ATOM 1291 O LEU A 88 -3.164 -3.632 -5.477 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.117 -3.100 -8.287 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.217 -2.591 -9.727 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.165 -1.525 -9.994 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -3.070 -3.743 -10.709 1.00 15.00 C ATOM 0 H LEU A 88 -0.835 -2.523 -7.149 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.415 -1.123 -7.525 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.310 -3.831 -8.232 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.040 -3.624 -8.039 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.201 -2.142 -9.865 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.253 -1.176 -11.023 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.315 -0.687 -9.313 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.172 -1.946 -9.838 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.144 -3.364 -11.728 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -2.100 -4.220 -10.568 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -3.861 -4.472 -10.535 1.00 15.00 H new ATOM 1307 N LEU A 89 -4.005 -1.574 -5.139 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.503 -1.879 -3.803 1.00 15.00 C ATOM 1309 C LEU A 89 -6.018 -2.037 -3.770 1.00 15.00 C ATOM 1310 O LEU A 89 -6.671 -2.202 -4.800 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.107 -0.775 -2.820 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.095 0.227 -3.345 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.063 1.456 -2.458 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.729 -0.417 -3.426 1.00 15.00 C ATOM 0 H LEU A 89 -4.186 -0.619 -5.449 1.00 15.00 H new ATOM 0 HA LEU A 89 -4.051 -2.828 -3.514 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -5.007 -0.236 -2.522 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.701 -1.240 -1.921 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.389 0.541 -4.346 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.333 2.166 -2.846 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.049 1.920 -2.444 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.784 1.166 -1.445 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -1.007 0.307 -3.803 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.424 -0.750 -2.434 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.770 -1.273 -4.099 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.557 -1.954 -2.558 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.988 -2.051 -2.324 1.00 15.00 C ATOM 1328 C GLU A 90 -8.401 -1.010 -1.287 1.00 15.00 C ATOM 1329 O GLU A 90 -7.664 -0.746 -0.335 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.361 -3.466 -1.860 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.437 -3.510 -0.783 1.00 15.00 C ATOM 1332 CD GLU A 90 -10.099 -4.870 -0.674 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.487 -5.865 -1.116 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -11.229 -4.939 -0.146 1.00 15.00 O ATOM 0 H GLU A 90 -6.009 -1.817 -1.709 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.522 -1.855 -3.254 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.702 -4.040 -2.722 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.465 -3.960 -1.483 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -8.995 -3.247 0.178 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.195 -2.758 -1.001 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.572 -0.413 -1.476 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.061 0.604 -0.554 1.00 15.00 C ATOM 1343 C LYS A 91 -10.065 0.088 0.881 1.00 15.00 C ATOM 1344 O LYS A 91 -10.961 -0.652 1.286 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.461 1.056 -0.962 1.00 15.00 C ATOM 1346 CG LYS A 91 -11.818 2.445 -0.460 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.352 3.523 -1.426 1.00 15.00 C ATOM 1348 CE LYS A 91 -11.015 4.817 -0.701 1.00 15.00 C ATOM 1349 NZ LYS A 91 -11.709 5.989 -1.304 1.00 15.00 N ATOM 0 H LYS A 91 -10.198 -0.615 -2.256 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.386 1.459 -0.601 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.537 1.040 -2.049 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.191 0.342 -0.581 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -12.897 2.518 -0.325 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.362 2.608 0.517 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.475 3.171 -1.970 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -12.131 3.711 -2.165 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -11.296 4.729 0.348 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -9.937 4.979 -0.730 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -11.453 6.851 -0.781 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -11.421 6.089 -2.298 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -12.738 5.847 -1.254 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.049 0.484 1.642 1.00 15.00 N ATOM 1364 CA GLY A 92 -8.940 0.055 3.024 1.00 15.00 C ATOM 1365 C GLY A 92 -10.104 0.526 3.874 1.00 15.00 C ATOM 1366 O GLY A 92 -10.113 1.659 4.354 1.00 15.00 O ATOM 0 H GLY A 92 -8.297 1.096 1.325 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -8.886 -1.033 3.060 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.010 0.435 3.446 1.00 15.00 H new ATOM 1370 N GLN A 93 -11.088 -0.349 4.062 1.00 15.00 N ATOM 1371 CA GLN A 93 -12.262 -0.018 4.861 1.00 15.00 C ATOM 1372 C GLN A 93 -12.010 -0.299 6.339 1.00 15.00 C ATOM 1373 O GLN A 93 -11.870 -1.452 6.747 1.00 15.00 O ATOM 1374 CB GLN A 93 -13.476 -0.814 4.375 1.00 15.00 C ATOM 1375 CG GLN A 93 -14.677 0.054 4.037 1.00 15.00 C ATOM 1376 CD GLN A 93 -15.870 -0.224 4.931 1.00 15.00 C ATOM 1377 OE1 GLN A 93 -15.726 -0.762 6.029 1.00 15.00 O ATOM 1378 NE2 GLN A 93 -17.058 0.141 4.463 1.00 15.00 N ATOM 0 H GLN A 93 -11.095 -1.291 3.672 1.00 15.00 H new ATOM 0 HA GLN A 93 -12.465 1.046 4.743 1.00 15.00 H new ATOM 0 HB2 GLN A 93 -13.194 -1.389 3.493 1.00 15.00 H new ATOM 0 HB3 GLN A 93 -13.762 -1.531 5.145 1.00 15.00 H new ATOM 0 HG2 GLN A 93 -14.398 1.104 4.126 1.00 15.00 H new ATOM 0 HG3 GLN A 93 -14.960 -0.113 2.998 1.00 15.00 H new ATOM 0 HE21 GLN A 93 -17.131 0.584 3.547 1.00 15.00 H new ATOM 0 HE22 GLN A 93 -17.897 -0.022 5.019 1.00 15.00 H new ATOM 1387 N SER A 94 -11.953 0.763 7.136 1.00 15.00 N ATOM 1388 CA SER A 94 -11.717 0.631 8.569 1.00 15.00 C ATOM 1389 C SER A 94 -13.021 0.352 9.313 1.00 15.00 C ATOM 1390 O SER A 94 -14.084 0.836 8.923 1.00 15.00 O ATOM 1391 CB SER A 94 -11.062 1.901 9.118 1.00 15.00 C ATOM 1392 OG SER A 94 -9.981 1.586 9.978 1.00 15.00 O ATOM 0 H SER A 94 -12.067 1.724 6.814 1.00 15.00 H new ATOM 0 HA SER A 94 -11.045 -0.212 8.725 1.00 15.00 H new ATOM 0 HB2 SER A 94 -10.706 2.517 8.292 1.00 15.00 H new ATOM 0 HB3 SER A 94 -11.802 2.491 9.659 1.00 15.00 H new ATOM 0 HG SER A 94 -9.578 2.414 10.314 1.00 15.00 H new ATOM 1398 N PRO A 95 -12.958 -0.437 10.401 1.00 15.00 N ATOM 1399 CA PRO A 95 -14.140 -0.778 11.199 1.00 15.00 C ATOM 1400 C PRO A 95 -14.917 0.459 11.638 1.00 15.00 C ATOM 1401 O PRO A 95 -16.146 0.441 11.703 1.00 15.00 O ATOM 1402 CB PRO A 95 -13.556 -1.501 12.414 1.00 15.00 C ATOM 1403 CG PRO A 95 -12.252 -2.045 11.942 1.00 15.00 C ATOM 1404 CD PRO A 95 -11.731 -1.056 10.936 1.00 15.00 C ATOM 0 HA PRO A 95 -14.853 -1.378 10.634 1.00 15.00 H new ATOM 0 HB2 PRO A 95 -13.420 -0.818 13.253 1.00 15.00 H new ATOM 0 HB3 PRO A 95 -14.217 -2.298 12.756 1.00 15.00 H new ATOM 0 HG2 PRO A 95 -11.555 -2.162 12.772 1.00 15.00 H new ATOM 0 HG3 PRO A 95 -12.380 -3.029 11.492 1.00 15.00 H new ATOM 0 HD2 PRO A 95 -11.077 -0.317 11.400 1.00 15.00 H new ATOM 0 HD3 PRO A 95 -11.153 -1.546 10.152 1.00 15.00 H new ATOM 1412 N THR A 96 -14.191 1.531 11.939 1.00 15.00 N ATOM 1413 CA THR A 96 -14.812 2.777 12.373 1.00 15.00 C ATOM 1414 C THR A 96 -15.159 3.657 11.177 1.00 15.00 C ATOM 1415 O THR A 96 -15.946 4.611 11.354 1.00 15.00 O ATOM 1416 CB THR A 96 -13.880 3.532 13.322 1.00 15.00 C ATOM 1417 OG1 THR A 96 -14.377 4.832 13.583 1.00 15.00 O ATOM 1418 CG2 THR A 96 -12.471 3.677 12.789 1.00 15.00 C ATOM 1419 OXT THR A 96 -14.640 3.387 10.073 1.00 15.00 O ATOM 0 H THR A 96 -13.173 1.562 11.890 1.00 15.00 H new ATOM 0 HA THR A 96 -15.734 2.530 12.900 1.00 15.00 H new ATOM 0 HB THR A 96 -13.846 2.932 14.231 1.00 15.00 H new ATOM 0 HG1 THR A 96 -15.074 5.053 12.931 1.00 15.00 H new ATOM 0 HG21 THR A 96 -11.863 4.222 13.511 1.00 15.00 H new ATOM 0 HG22 THR A 96 -12.041 2.689 12.624 1.00 15.00 H new ATOM 0 HG23 THR A 96 -12.493 4.225 11.847 1.00 15.00 H new TER 1427 THR A 96