USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 708 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 72 THR OG1 : rot -159:sc= 0.0416 USER MOD Set 1.2: A 74 ASN : amide:sc= -0.0133 X(o=0.028,f=0.056) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.122 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 157:sc= -0.119 (180deg=-1.06) USER MOD Single : A 12 LYS NZ :NH3+ -164:sc= 2.57 (180deg=2.15) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -164:sc= -0.133 (180deg=-0.548) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 151:sc= -0.238 USER MOD Single : A 43 THR OG1 : rot -100:sc= 1.19 USER MOD Single : A 49 GLN : amide:sc= 0.598 K(o=0.6,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc=-0.00651 K(o=-0.0065,f=-1.2) USER MOD Single : A 59 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.45) USER MOD Single : A 67 SER OG : rot 39:sc= 0.23 USER MOD Single : A 73 GLN : amide:sc= -1.43 K(o=-1.4,f=0.014) USER MOD Single : A 78 THR OG1 : rot 79:sc= 1.22 USER MOD Single : A 82 ASN : amide:sc= 1.19 K(o=1.2,f=-0.032) USER MOD Single : A 83 THR OG1 : rot 66:sc= -1.28 USER MOD Single : A 84 LYS NZ :NH3+ -143:sc= 2.38 (180deg=0.433) USER MOD Single : A 86 ASN : amide:sc= 0.051 X(o=0.051,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.979 -10.174 3.005 1.00 0.00 N ATOM 2 CA GLY A 1 14.517 -11.553 2.850 1.00 0.00 C ATOM 3 C GLY A 1 13.894 -11.761 1.494 1.00 0.00 C ATOM 4 O GLY A 1 13.735 -10.801 0.729 1.00 0.00 O ATOM 0 H1 GLY A 1 16.013 -10.164 3.112 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.712 -9.622 2.165 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.540 -9.754 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.355 -12.238 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.791 -11.787 3.628 1.00 0.00 H new ATOM 10 N HIS A 2 13.555 -13.002 1.175 1.00 0.00 N ATOM 11 CA HIS A 2 12.893 -13.330 -0.082 1.00 0.00 C ATOM 12 C HIS A 2 11.501 -12.759 -0.038 1.00 0.00 C ATOM 13 O HIS A 2 10.795 -12.941 0.951 1.00 0.00 O ATOM 14 CB HIS A 2 12.835 -14.853 -0.297 1.00 0.00 C ATOM 15 CG HIS A 2 14.176 -15.496 -0.491 1.00 0.00 C ATOM 16 ND1 HIS A 2 14.822 -16.242 0.467 1.00 0.00 N ATOM 17 CD2 HIS A 2 14.989 -15.497 -1.570 1.00 0.00 C ATOM 18 CE1 HIS A 2 15.981 -16.656 -0.040 1.00 0.00 C ATOM 19 NE2 HIS A 2 16.136 -16.234 -1.283 1.00 0.00 N ATOM 0 H HIS A 2 13.730 -13.807 1.776 1.00 0.00 H new ATOM 0 HA HIS A 2 13.455 -12.904 -0.913 1.00 0.00 H new ATOM 0 HB2 HIS A 2 12.345 -15.312 0.562 1.00 0.00 H new ATOM 0 HB3 HIS A 2 12.214 -15.063 -1.168 1.00 0.00 H new ATOM 0 HD2 HIS A 2 14.782 -15.004 -2.508 1.00 0.00 H new ATOM 0 HE1 HIS A 2 16.701 -17.258 0.494 1.00 0.00 H new ATOM 0 HE2 HIS A 2 16.928 -16.411 -1.901 1.00 0.00 H new ATOM 27 N MET A 3 11.104 -12.076 -1.074 1.00 0.00 N ATOM 28 CA MET A 3 9.837 -11.393 -1.061 1.00 0.00 C ATOM 29 C MET A 3 9.088 -11.553 -2.362 1.00 0.00 C ATOM 30 O MET A 3 9.651 -11.390 -3.443 1.00 0.00 O ATOM 31 CB MET A 3 10.039 -9.915 -0.716 1.00 0.00 C ATOM 32 CG MET A 3 8.782 -9.066 -0.809 1.00 0.00 C ATOM 33 SD MET A 3 9.022 -7.392 -0.202 1.00 0.00 S ATOM 34 CE MET A 3 10.380 -6.827 -1.234 1.00 0.00 C ATOM 0 H MET A 3 11.637 -11.976 -1.938 1.00 0.00 H new ATOM 0 HA MET A 3 9.220 -11.853 -0.289 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.436 -9.843 0.296 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.793 -9.499 -1.385 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.452 -9.027 -1.847 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.985 -9.543 -0.239 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.375 -5.738 -1.277 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.325 -7.169 -0.812 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.265 -7.231 -2.240 1.00 0.00 H new ATOM 44 N GLU A 4 7.827 -11.879 -2.243 1.00 0.00 N ATOM 45 CA GLU A 4 6.941 -12.043 -3.361 1.00 0.00 C ATOM 46 C GLU A 4 6.086 -10.814 -3.465 1.00 0.00 C ATOM 47 O GLU A 4 5.387 -10.484 -2.519 1.00 0.00 O ATOM 48 CB GLU A 4 6.026 -13.233 -3.125 1.00 0.00 C ATOM 49 CG GLU A 4 5.087 -13.535 -4.296 1.00 0.00 C ATOM 50 CD GLU A 4 4.182 -14.724 -4.063 1.00 0.00 C ATOM 51 OE1 GLU A 4 3.216 -14.613 -3.298 1.00 0.00 O ATOM 52 OE2 GLU A 4 4.396 -15.793 -4.685 1.00 0.00 O ATOM 0 H GLU A 4 7.379 -12.041 -1.341 1.00 0.00 H new ATOM 0 HA GLU A 4 7.524 -12.200 -4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.636 -14.114 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.429 -13.049 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.473 -12.656 -4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.683 -13.714 -5.191 1.00 0.00 H new ATOM 59 N LEU A 5 6.163 -10.134 -4.567 1.00 0.00 N ATOM 60 CA LEU A 5 5.351 -8.973 -4.800 1.00 0.00 C ATOM 61 C LEU A 5 4.069 -9.417 -5.470 1.00 0.00 C ATOM 62 O LEU A 5 4.109 -10.017 -6.548 1.00 0.00 O ATOM 63 CB LEU A 5 6.084 -7.949 -5.683 1.00 0.00 C ATOM 64 CG LEU A 5 7.436 -7.404 -5.171 1.00 0.00 C ATOM 65 CD1 LEU A 5 7.361 -6.987 -3.723 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.597 -8.362 -5.418 1.00 0.00 C ATOM 0 H LEU A 5 6.792 -10.367 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 5 5.134 -8.487 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.253 -8.406 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.417 -7.101 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 5 7.643 -6.512 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.332 -6.610 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.612 -6.204 -3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.085 -7.846 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.519 -7.923 -5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.406 -9.305 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.698 -8.544 -6.488 1.00 0.00 H new ATOM 78 N PHE A 6 2.952 -9.154 -4.851 1.00 0.00 N ATOM 79 CA PHE A 6 1.691 -9.622 -5.370 1.00 0.00 C ATOM 80 C PHE A 6 0.601 -8.557 -5.347 1.00 0.00 C ATOM 81 O PHE A 6 0.574 -7.689 -4.481 1.00 0.00 O ATOM 82 CB PHE A 6 1.228 -10.892 -4.632 1.00 0.00 C ATOM 83 CG PHE A 6 1.286 -10.824 -3.135 1.00 0.00 C ATOM 84 CD1 PHE A 6 0.354 -10.096 -2.423 1.00 0.00 C ATOM 85 CD2 PHE A 6 2.264 -11.498 -2.446 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.398 -10.039 -1.050 1.00 0.00 C ATOM 87 CE2 PHE A 6 2.319 -11.449 -1.075 1.00 0.00 C ATOM 88 CZ PHE A 6 1.385 -10.716 -0.372 1.00 0.00 C ATOM 0 H PHE A 6 2.886 -8.618 -3.986 1.00 0.00 H new ATOM 0 HA PHE A 6 1.864 -9.866 -6.418 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.202 -11.111 -4.929 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.842 -11.729 -4.965 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.422 -9.563 -2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.999 -12.074 -2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.339 -9.466 -0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.094 -11.985 -0.546 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.429 -10.674 0.706 1.00 0.00 H new ATOM 98 N PRO A 7 -0.287 -8.590 -6.323 1.00 0.00 N ATOM 99 CA PRO A 7 -1.419 -7.695 -6.365 1.00 0.00 C ATOM 100 C PRO A 7 -2.558 -8.153 -5.462 1.00 0.00 C ATOM 101 O PRO A 7 -3.005 -9.309 -5.517 1.00 0.00 O ATOM 102 CB PRO A 7 -1.869 -7.751 -7.808 1.00 0.00 C ATOM 103 CG PRO A 7 -1.443 -9.097 -8.294 1.00 0.00 C ATOM 104 CD PRO A 7 -0.237 -9.482 -7.493 1.00 0.00 C ATOM 0 HA PRO A 7 -1.147 -6.698 -6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.949 -7.625 -7.890 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.410 -6.956 -8.396 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.243 -9.826 -8.164 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.208 -9.068 -9.358 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.272 -10.531 -7.197 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.682 -9.342 -8.063 1.00 0.00 H new ATOM 112 N VAL A 8 -2.990 -7.277 -4.622 1.00 0.00 N ATOM 113 CA VAL A 8 -4.129 -7.513 -3.807 1.00 0.00 C ATOM 114 C VAL A 8 -5.235 -6.648 -4.328 1.00 0.00 C ATOM 115 O VAL A 8 -5.211 -5.437 -4.138 1.00 0.00 O ATOM 116 CB VAL A 8 -3.883 -7.174 -2.315 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.103 -7.499 -1.459 1.00 0.00 C ATOM 118 CG2 VAL A 8 -2.654 -7.877 -1.794 1.00 0.00 C ATOM 0 H VAL A 8 -2.556 -6.365 -4.481 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.374 -8.574 -3.852 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.711 -6.100 -2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.895 -7.249 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.957 -6.919 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.330 -8.562 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.506 -7.621 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.783 -8.955 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.784 -7.564 -2.371 1.00 0.00 H new ATOM 128 N GLU A 9 -6.152 -7.230 -5.034 1.00 0.00 N ATOM 129 CA GLU A 9 -7.241 -6.471 -5.568 1.00 0.00 C ATOM 130 C GLU A 9 -8.347 -6.431 -4.532 1.00 0.00 C ATOM 131 O GLU A 9 -9.051 -7.425 -4.315 1.00 0.00 O ATOM 132 CB GLU A 9 -7.726 -7.056 -6.888 1.00 0.00 C ATOM 133 CG GLU A 9 -8.754 -6.191 -7.591 1.00 0.00 C ATOM 134 CD GLU A 9 -9.201 -6.783 -8.890 1.00 0.00 C ATOM 135 OE1 GLU A 9 -10.112 -7.639 -8.884 1.00 0.00 O ATOM 136 OE2 GLU A 9 -8.657 -6.395 -9.947 1.00 0.00 O ATOM 0 H GLU A 9 -6.170 -8.226 -5.254 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.913 -5.455 -5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.871 -7.200 -7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.156 -8.041 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.618 -6.055 -6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.332 -5.202 -7.771 1.00 0.00 H new ATOM 143 N LEU A 10 -8.468 -5.315 -3.875 1.00 0.00 N ATOM 144 CA LEU A 10 -9.408 -5.169 -2.812 1.00 0.00 C ATOM 145 C LEU A 10 -10.609 -4.488 -3.402 1.00 0.00 C ATOM 146 O LEU A 10 -10.455 -3.695 -4.317 1.00 0.00 O ATOM 147 CB LEU A 10 -8.795 -4.260 -1.740 1.00 0.00 C ATOM 148 CG LEU A 10 -9.069 -4.581 -0.261 1.00 0.00 C ATOM 149 CD1 LEU A 10 -10.551 -4.674 0.056 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.334 -5.836 0.152 1.00 0.00 C ATOM 0 H LEU A 10 -7.914 -4.480 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.671 -6.128 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.715 -4.259 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.142 -3.244 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.687 -3.746 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.683 -4.902 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.032 -3.723 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.003 -5.463 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.539 -6.049 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.670 -6.673 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.262 -5.692 0.013 1.00 0.00 H new ATOM 162 N GLU A 11 -11.776 -4.815 -2.940 1.00 0.00 N ATOM 163 CA GLU A 11 -12.943 -4.135 -3.383 1.00 0.00 C ATOM 164 C GLU A 11 -13.574 -3.411 -2.209 1.00 0.00 C ATOM 165 O GLU A 11 -14.262 -4.010 -1.368 1.00 0.00 O ATOM 166 CB GLU A 11 -13.927 -5.079 -4.051 1.00 0.00 C ATOM 167 CG GLU A 11 -15.103 -4.368 -4.679 1.00 0.00 C ATOM 168 CD GLU A 11 -16.017 -5.307 -5.384 1.00 0.00 C ATOM 169 OE1 GLU A 11 -15.697 -5.721 -6.514 1.00 0.00 O ATOM 170 OE2 GLU A 11 -17.096 -5.642 -4.834 1.00 0.00 O ATOM 0 H GLU A 11 -11.941 -5.552 -2.254 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.658 -3.405 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.406 -5.653 -4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.294 -5.792 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.658 -3.835 -3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.739 -3.620 -5.384 1.00 0.00 H new ATOM 177 N LYS A 12 -13.245 -2.161 -2.097 1.00 0.00 N ATOM 178 CA LYS A 12 -13.765 -1.308 -1.089 1.00 0.00 C ATOM 179 C LYS A 12 -14.998 -0.561 -1.541 1.00 0.00 C ATOM 180 O LYS A 12 -15.606 -0.859 -2.582 1.00 0.00 O ATOM 181 CB LYS A 12 -12.696 -0.321 -0.601 1.00 0.00 C ATOM 182 CG LYS A 12 -11.826 -0.837 0.535 1.00 0.00 C ATOM 183 CD LYS A 12 -12.672 -1.264 1.748 1.00 0.00 C ATOM 184 CE LYS A 12 -12.517 -0.400 3.012 1.00 0.00 C ATOM 185 NZ LYS A 12 -13.156 0.952 2.855 1.00 0.00 N ATOM 0 H LYS A 12 -12.588 -1.699 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.061 -1.951 -0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.054 -0.057 -1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.188 0.596 -0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.236 -1.684 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.122 -0.061 0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.722 -1.259 1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.416 -2.293 2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.966 -0.916 3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.458 -0.276 3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.806 1.590 3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.916 1.343 1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.189 0.859 2.937 1.00 0.00 H new ATOM 199 N ASP A 13 -15.375 0.374 -0.723 1.00 0.00 N ATOM 200 CA ASP A 13 -16.503 1.236 -0.918 1.00 0.00 C ATOM 201 C ASP A 13 -16.101 2.307 -1.907 1.00 0.00 C ATOM 202 O ASP A 13 -14.912 2.495 -2.161 1.00 0.00 O ATOM 203 CB ASP A 13 -16.817 1.914 0.427 1.00 0.00 C ATOM 204 CG ASP A 13 -16.819 0.947 1.594 1.00 0.00 C ATOM 205 OD1 ASP A 13 -15.709 0.616 2.114 1.00 0.00 O ATOM 206 OD2 ASP A 13 -17.899 0.497 2.019 1.00 0.00 O ATOM 0 H ASP A 13 -14.877 0.567 0.146 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.367 0.679 -1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.082 2.697 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.791 2.400 0.364 1.00 0.00 H new ATOM 211 N GLU A 14 -17.066 3.049 -2.423 1.00 0.00 N ATOM 212 CA GLU A 14 -16.764 4.151 -3.347 1.00 0.00 C ATOM 213 C GLU A 14 -16.034 5.270 -2.599 1.00 0.00 C ATOM 214 O GLU A 14 -15.362 6.106 -3.198 1.00 0.00 O ATOM 215 CB GLU A 14 -18.040 4.689 -4.010 1.00 0.00 C ATOM 216 CG GLU A 14 -19.090 5.197 -3.034 1.00 0.00 C ATOM 217 CD GLU A 14 -20.296 5.752 -3.728 1.00 0.00 C ATOM 218 OE1 GLU A 14 -21.039 4.986 -4.351 1.00 0.00 O ATOM 219 OE2 GLU A 14 -20.509 6.977 -3.683 1.00 0.00 O ATOM 0 H GLU A 14 -18.058 2.918 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 14 -16.118 3.769 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.769 5.499 -4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.479 3.899 -4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.395 4.383 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.651 5.969 -2.402 1.00 0.00 H new ATOM 226 N ASP A 15 -16.187 5.247 -1.276 1.00 0.00 N ATOM 227 CA ASP A 15 -15.542 6.182 -0.354 1.00 0.00 C ATOM 228 C ASP A 15 -14.042 5.974 -0.382 1.00 0.00 C ATOM 229 O ASP A 15 -13.251 6.907 -0.193 1.00 0.00 O ATOM 230 CB ASP A 15 -16.068 5.936 1.056 1.00 0.00 C ATOM 231 CG ASP A 15 -15.481 6.874 2.087 1.00 0.00 C ATOM 232 OD1 ASP A 15 -15.944 8.038 2.172 1.00 0.00 O ATOM 233 OD2 ASP A 15 -14.600 6.450 2.866 1.00 0.00 O ATOM 0 H ASP A 15 -16.777 4.562 -0.804 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.765 7.206 -0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.153 6.042 1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.848 4.908 1.344 1.00 0.00 H new ATOM 238 N GLY A 16 -13.662 4.744 -0.614 1.00 0.00 N ATOM 239 CA GLY A 16 -12.294 4.408 -0.730 1.00 0.00 C ATOM 240 C GLY A 16 -11.861 3.487 0.358 1.00 0.00 C ATOM 241 O GLY A 16 -12.535 2.485 0.650 1.00 0.00 O ATOM 0 H GLY A 16 -14.303 3.958 -0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.115 3.939 -1.697 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.692 5.316 -0.700 1.00 0.00 H new ATOM 245 N LEU A 17 -10.780 3.816 1.002 1.00 0.00 N ATOM 246 CA LEU A 17 -10.225 2.932 1.985 1.00 0.00 C ATOM 247 C LEU A 17 -10.428 3.475 3.364 1.00 0.00 C ATOM 248 O LEU A 17 -11.114 2.872 4.186 1.00 0.00 O ATOM 249 CB LEU A 17 -8.731 2.760 1.778 1.00 0.00 C ATOM 250 CG LEU A 17 -8.259 2.534 0.375 1.00 0.00 C ATOM 251 CD1 LEU A 17 -6.753 2.445 0.343 1.00 0.00 C ATOM 252 CD2 LEU A 17 -8.896 1.306 -0.240 1.00 0.00 C ATOM 0 H LEU A 17 -10.266 4.687 0.865 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.735 1.975 1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.231 3.648 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.400 1.918 2.386 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.570 3.387 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.420 2.281 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.326 3.375 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.424 1.615 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.528 1.176 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.640 0.428 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.979 1.428 -0.259 1.00 0.00 H new ATOM 264 N GLY A 18 -9.821 4.603 3.608 1.00 0.00 N ATOM 265 CA GLY A 18 -9.797 5.169 4.915 1.00 0.00 C ATOM 266 C GLY A 18 -8.604 4.641 5.690 1.00 0.00 C ATOM 267 O GLY A 18 -8.615 4.613 6.926 1.00 0.00 O ATOM 0 H GLY A 18 -9.331 5.151 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.745 6.256 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.720 4.926 5.442 1.00 0.00 H new ATOM 271 N ILE A 19 -7.566 4.183 4.961 1.00 0.00 N ATOM 272 CA ILE A 19 -6.375 3.640 5.623 1.00 0.00 C ATOM 273 C ILE A 19 -5.360 4.738 5.900 1.00 0.00 C ATOM 274 O ILE A 19 -5.563 5.904 5.535 1.00 0.00 O ATOM 275 CB ILE A 19 -5.673 2.489 4.832 1.00 0.00 C ATOM 276 CG1 ILE A 19 -4.965 3.001 3.589 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.671 1.420 4.452 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.153 1.932 2.884 1.00 0.00 C ATOM 0 H ILE A 19 -7.532 4.179 3.942 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.742 3.212 6.556 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.919 2.060 5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.705 3.403 2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.307 3.825 3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.164 0.627 3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.121 1.005 5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.449 1.855 3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.672 2.361 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.392 1.547 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.811 1.119 2.577 1.00 0.00 H new ATOM 290 N SER A 20 -4.280 4.365 6.523 1.00 0.00 N ATOM 291 CA SER A 20 -3.233 5.279 6.879 1.00 0.00 C ATOM 292 C SER A 20 -1.890 4.621 6.624 1.00 0.00 C ATOM 293 O SER A 20 -1.768 3.397 6.744 1.00 0.00 O ATOM 294 CB SER A 20 -3.415 5.685 8.346 1.00 0.00 C ATOM 295 OG SER A 20 -4.643 6.384 8.506 1.00 0.00 O ATOM 0 H SER A 20 -4.099 3.401 6.803 1.00 0.00 H new ATOM 0 HA SER A 20 -3.274 6.184 6.272 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.405 4.799 8.981 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.584 6.315 8.664 1.00 0.00 H new ATOM 0 HG SER A 20 -4.754 6.639 9.446 1.00 0.00 H new ATOM 301 N ILE A 21 -0.907 5.409 6.257 1.00 0.00 N ATOM 302 CA ILE A 21 0.413 4.913 5.917 1.00 0.00 C ATOM 303 C ILE A 21 1.463 5.636 6.725 1.00 0.00 C ATOM 304 O ILE A 21 1.187 6.698 7.308 1.00 0.00 O ATOM 305 CB ILE A 21 0.708 5.098 4.392 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.650 6.586 3.960 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.228 4.247 3.537 1.00 0.00 C ATOM 308 CD1 ILE A 21 1.978 7.340 4.043 1.00 0.00 C ATOM 0 H ILE A 21 -0.998 6.422 6.184 1.00 0.00 H new ATOM 0 HA ILE A 21 0.442 3.848 6.150 1.00 0.00 H new ATOM 0 HB ILE A 21 1.728 4.753 4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.286 6.636 2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.081 7.101 4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.003 4.399 2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.096 3.195 3.790 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.261 4.539 3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.832 8.371 3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.339 7.330 5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.711 6.858 3.396 1.00 0.00 H new ATOM 320 N ILE A 22 2.629 5.066 6.789 1.00 0.00 N ATOM 321 CA ILE A 22 3.741 5.697 7.427 1.00 0.00 C ATOM 322 C ILE A 22 4.967 5.653 6.526 1.00 0.00 C ATOM 323 O ILE A 22 5.259 4.625 5.906 1.00 0.00 O ATOM 324 CB ILE A 22 4.035 5.107 8.828 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.222 5.807 9.519 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.186 3.586 8.798 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.496 5.326 10.931 1.00 0.00 C ATOM 0 H ILE A 22 2.835 4.147 6.398 1.00 0.00 H new ATOM 0 HA ILE A 22 3.475 6.741 7.591 1.00 0.00 H new ATOM 0 HB ILE A 22 3.159 5.313 9.443 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.118 5.657 8.916 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.031 6.880 9.544 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.391 3.221 9.804 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.264 3.136 8.430 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.011 3.315 8.139 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.346 5.870 11.342 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.618 5.502 11.552 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.721 4.260 10.915 1.00 0.00 H new ATOM 339 N GLY A 23 5.655 6.764 6.426 1.00 0.00 N ATOM 340 CA GLY A 23 6.797 6.840 5.574 1.00 0.00 C ATOM 341 C GLY A 23 8.057 6.585 6.317 1.00 0.00 C ATOM 342 O GLY A 23 8.548 7.446 7.036 1.00 0.00 O ATOM 0 H GLY A 23 5.437 7.625 6.928 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.698 6.114 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.841 7.826 5.112 1.00 0.00 H new ATOM 346 N MET A 24 8.571 5.411 6.162 1.00 0.00 N ATOM 347 CA MET A 24 9.783 5.016 6.833 1.00 0.00 C ATOM 348 C MET A 24 10.819 4.738 5.806 1.00 0.00 C ATOM 349 O MET A 24 10.848 3.653 5.263 1.00 0.00 O ATOM 350 CB MET A 24 9.571 3.757 7.689 1.00 0.00 C ATOM 351 CG MET A 24 8.552 3.904 8.796 1.00 0.00 C ATOM 352 SD MET A 24 8.968 5.221 9.951 1.00 0.00 S ATOM 353 CE MET A 24 10.562 4.666 10.560 1.00 0.00 C ATOM 0 H MET A 24 8.167 4.689 5.566 1.00 0.00 H new ATOM 0 HA MET A 24 10.094 5.824 7.496 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.262 2.940 7.037 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.526 3.470 8.130 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.574 4.104 8.360 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.472 2.962 9.339 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.813 5.210 11.471 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.518 3.598 10.775 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.325 4.852 9.804 1.00 0.00 H new ATOM 363 N GLY A 25 11.622 5.740 5.492 1.00 0.00 N ATOM 364 CA GLY A 25 12.656 5.589 4.487 1.00 0.00 C ATOM 365 C GLY A 25 13.555 4.413 4.782 1.00 0.00 C ATOM 366 O GLY A 25 14.350 4.435 5.742 1.00 0.00 O ATOM 0 H GLY A 25 11.577 6.665 5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.195 5.458 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.253 6.500 4.439 1.00 0.00 H new ATOM 370 N VAL A 26 13.392 3.382 4.011 1.00 0.00 N ATOM 371 CA VAL A 26 14.110 2.165 4.177 1.00 0.00 C ATOM 372 C VAL A 26 14.532 1.685 2.794 1.00 0.00 C ATOM 373 O VAL A 26 14.020 2.175 1.772 1.00 0.00 O ATOM 374 CB VAL A 26 13.198 1.099 4.881 1.00 0.00 C ATOM 375 CG1 VAL A 26 12.087 0.585 3.973 1.00 0.00 C ATOM 376 CG2 VAL A 26 14.000 -0.042 5.489 1.00 0.00 C ATOM 0 H VAL A 26 12.737 3.368 3.229 1.00 0.00 H new ATOM 0 HA VAL A 26 14.989 2.316 4.803 1.00 0.00 H new ATOM 0 HB VAL A 26 12.713 1.621 5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.488 -0.149 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.453 1.417 3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.525 0.119 3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.322 -0.751 5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.564 -0.548 4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.689 0.355 6.234 1.00 0.00 H new ATOM 386 N GLY A 27 15.466 0.792 2.745 1.00 0.00 N ATOM 387 CA GLY A 27 15.880 0.261 1.496 1.00 0.00 C ATOM 388 C GLY A 27 17.293 0.628 1.181 1.00 0.00 C ATOM 389 O GLY A 27 17.868 0.112 0.222 1.00 0.00 O ATOM 0 H GLY A 27 15.955 0.417 3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.781 -0.824 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.224 0.630 0.708 1.00 0.00 H new ATOM 393 N ALA A 28 17.861 1.514 1.969 1.00 0.00 N ATOM 394 CA ALA A 28 19.234 1.935 1.768 1.00 0.00 C ATOM 395 C ALA A 28 20.174 0.840 2.207 1.00 0.00 C ATOM 396 O ALA A 28 21.118 0.513 1.507 1.00 0.00 O ATOM 397 CB ALA A 28 19.530 3.247 2.485 1.00 0.00 C ATOM 0 H ALA A 28 17.393 1.960 2.758 1.00 0.00 H new ATOM 0 HA ALA A 28 19.387 2.119 0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 28 20.568 3.530 2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.872 4.027 2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.362 3.123 3.555 1.00 0.00 H new ATOM 403 N ASP A 29 19.856 0.216 3.329 1.00 0.00 N ATOM 404 CA ASP A 29 20.659 -0.898 3.868 1.00 0.00 C ATOM 405 C ASP A 29 20.455 -2.121 2.993 1.00 0.00 C ATOM 406 O ASP A 29 21.351 -2.960 2.820 1.00 0.00 O ATOM 407 CB ASP A 29 20.251 -1.212 5.313 1.00 0.00 C ATOM 408 CG ASP A 29 21.132 -2.251 5.979 1.00 0.00 C ATOM 409 OD1 ASP A 29 22.214 -1.886 6.487 1.00 0.00 O ATOM 410 OD2 ASP A 29 20.752 -3.435 6.042 1.00 0.00 O ATOM 0 H ASP A 29 19.043 0.456 3.897 1.00 0.00 H new ATOM 0 HA ASP A 29 21.711 -0.613 3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.281 -0.293 5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 29 19.219 -1.562 5.323 1.00 0.00 H new ATOM 415 N ALA A 30 19.268 -2.204 2.426 1.00 0.00 N ATOM 416 CA ALA A 30 18.925 -3.252 1.490 1.00 0.00 C ATOM 417 C ALA A 30 19.692 -3.066 0.174 1.00 0.00 C ATOM 418 O ALA A 30 20.000 -4.027 -0.518 1.00 0.00 O ATOM 419 CB ALA A 30 17.427 -3.266 1.242 1.00 0.00 C ATOM 0 H ALA A 30 18.512 -1.543 2.603 1.00 0.00 H new ATOM 0 HA ALA A 30 19.211 -4.212 1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 30 17.183 -4.059 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 30 16.904 -3.443 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 30 17.117 -2.306 0.830 1.00 0.00 H new ATOM 425 N GLY A 31 20.005 -1.822 -0.149 1.00 0.00 N ATOM 426 CA GLY A 31 20.751 -1.526 -1.347 1.00 0.00 C ATOM 427 C GLY A 31 19.861 -1.280 -2.539 1.00 0.00 C ATOM 428 O GLY A 31 20.267 -1.476 -3.685 1.00 0.00 O ATOM 0 H GLY A 31 19.751 -1.005 0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 31 21.373 -0.648 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 31 21.424 -2.355 -1.566 1.00 0.00 H new ATOM 432 N LEU A 32 18.647 -0.879 -2.284 1.00 0.00 N ATOM 433 CA LEU A 32 17.717 -0.588 -3.354 1.00 0.00 C ATOM 434 C LEU A 32 17.307 0.861 -3.334 1.00 0.00 C ATOM 435 O LEU A 32 17.209 1.491 -4.374 1.00 0.00 O ATOM 436 CB LEU A 32 16.450 -1.469 -3.286 1.00 0.00 C ATOM 437 CG LEU A 32 16.589 -2.976 -3.599 1.00 0.00 C ATOM 438 CD1 LEU A 32 17.299 -3.221 -4.922 1.00 0.00 C ATOM 439 CD2 LEU A 32 17.232 -3.750 -2.460 1.00 0.00 C ATOM 0 H LEU A 32 18.272 -0.744 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 32 18.242 -0.810 -4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.033 -1.375 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.717 -1.052 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 32 15.575 -3.362 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.374 -4.294 -5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.733 -2.757 -5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 32 18.299 -2.788 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.306 -4.803 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.229 -3.354 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 32 16.623 -3.649 -1.562 1.00 0.00 H new ATOM 451 N GLU A 33 17.118 1.390 -2.123 1.00 0.00 N ATOM 452 CA GLU A 33 16.562 2.723 -1.902 1.00 0.00 C ATOM 453 C GLU A 33 15.231 2.862 -2.607 1.00 0.00 C ATOM 454 O GLU A 33 15.135 3.348 -3.742 1.00 0.00 O ATOM 455 CB GLU A 33 17.527 3.849 -2.252 1.00 0.00 C ATOM 456 CG GLU A 33 18.740 3.903 -1.350 1.00 0.00 C ATOM 457 CD GLU A 33 19.642 5.049 -1.685 1.00 0.00 C ATOM 458 OE1 GLU A 33 19.299 6.206 -1.358 1.00 0.00 O ATOM 459 OE2 GLU A 33 20.703 4.821 -2.288 1.00 0.00 O ATOM 0 H GLU A 33 17.350 0.898 -1.260 1.00 0.00 H new ATOM 0 HA GLU A 33 16.393 2.826 -0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.856 3.728 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.999 4.801 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.416 3.989 -0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.295 2.969 -1.434 1.00 0.00 H new ATOM 466 N LYS A 34 14.221 2.386 -1.947 1.00 0.00 N ATOM 467 CA LYS A 34 12.902 2.336 -2.498 1.00 0.00 C ATOM 468 C LYS A 34 11.943 3.013 -1.541 1.00 0.00 C ATOM 469 O LYS A 34 12.343 3.885 -0.767 1.00 0.00 O ATOM 470 CB LYS A 34 12.494 0.861 -2.735 1.00 0.00 C ATOM 471 CG LYS A 34 12.500 -0.020 -1.475 1.00 0.00 C ATOM 472 CD LYS A 34 11.882 -1.392 -1.728 1.00 0.00 C ATOM 473 CE LYS A 34 12.586 -2.144 -2.843 1.00 0.00 C ATOM 474 NZ LYS A 34 12.030 -3.492 -3.046 1.00 0.00 N ATOM 0 H LYS A 34 14.290 2.017 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 34 12.874 2.857 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.495 0.841 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.171 0.425 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.525 -0.144 -1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.950 0.483 -0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.924 -1.982 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.829 -1.272 -1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.503 -1.576 -3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.648 -2.223 -2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.542 -3.966 -3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.132 -4.045 -2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.023 -3.418 -3.294 1.00 0.00 H new ATOM 488 N LEU A 35 10.700 2.641 -1.626 1.00 0.00 N ATOM 489 CA LEU A 35 9.669 3.147 -0.774 1.00 0.00 C ATOM 490 C LEU A 35 9.826 2.538 0.615 1.00 0.00 C ATOM 491 O LEU A 35 10.336 1.422 0.761 1.00 0.00 O ATOM 492 CB LEU A 35 8.319 2.721 -1.365 1.00 0.00 C ATOM 493 CG LEU A 35 8.074 1.202 -1.372 1.00 0.00 C ATOM 494 CD1 LEU A 35 7.176 0.763 -0.236 1.00 0.00 C ATOM 495 CD2 LEU A 35 7.584 0.704 -2.701 1.00 0.00 C ATOM 0 H LEU A 35 10.368 1.959 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 35 9.728 4.233 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.521 3.202 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.252 3.091 -2.388 1.00 0.00 H new ATOM 0 HG LEU A 35 9.045 0.735 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.032 -0.316 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.638 1.027 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.211 1.262 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.427 -0.374 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.644 1.196 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.325 0.927 -3.469 1.00 0.00 H new ATOM 507 N GLY A 36 9.416 3.255 1.597 1.00 0.00 N ATOM 508 CA GLY A 36 9.377 2.729 2.917 1.00 0.00 C ATOM 509 C GLY A 36 8.034 2.978 3.511 1.00 0.00 C ATOM 510 O GLY A 36 7.889 3.214 4.694 1.00 0.00 O ATOM 0 H GLY A 36 9.098 4.221 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.586 1.659 2.900 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.149 3.195 3.529 1.00 0.00 H new ATOM 514 N ILE A 37 7.046 2.927 2.677 1.00 0.00 N ATOM 515 CA ILE A 37 5.714 3.240 3.083 1.00 0.00 C ATOM 516 C ILE A 37 5.020 2.022 3.649 1.00 0.00 C ATOM 517 O ILE A 37 4.552 1.148 2.917 1.00 0.00 O ATOM 518 CB ILE A 37 4.897 3.814 1.920 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.623 5.028 1.299 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.504 4.194 2.406 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.703 6.250 2.173 1.00 0.00 C ATOM 0 H ILE A 37 7.140 2.667 1.695 1.00 0.00 H new ATOM 0 HA ILE A 37 5.783 3.998 3.863 1.00 0.00 H new ATOM 0 HB ILE A 37 4.795 3.055 1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.636 4.726 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.116 5.298 0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.927 4.601 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.001 3.310 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.585 4.943 3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.231 7.043 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.696 6.587 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.240 6.007 3.090 1.00 0.00 H new ATOM 533 N PHE A 38 4.982 1.963 4.934 1.00 0.00 N ATOM 534 CA PHE A 38 4.330 0.898 5.619 1.00 0.00 C ATOM 535 C PHE A 38 2.926 1.296 5.921 1.00 0.00 C ATOM 536 O PHE A 38 2.592 2.487 5.902 1.00 0.00 O ATOM 537 CB PHE A 38 5.062 0.525 6.901 1.00 0.00 C ATOM 538 CG PHE A 38 6.404 -0.111 6.675 1.00 0.00 C ATOM 539 CD1 PHE A 38 6.504 -1.482 6.500 1.00 0.00 C ATOM 540 CD2 PHE A 38 7.557 0.651 6.635 1.00 0.00 C ATOM 541 CE1 PHE A 38 7.730 -2.081 6.289 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.790 0.059 6.425 1.00 0.00 C ATOM 543 CZ PHE A 38 8.876 -1.311 6.252 1.00 0.00 C ATOM 0 H PHE A 38 5.406 2.659 5.547 1.00 0.00 H new ATOM 0 HA PHE A 38 4.334 0.019 4.975 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.194 1.422 7.506 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.439 -0.160 7.477 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.612 -2.090 6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.495 1.721 6.769 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.793 -3.151 6.153 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.683 0.665 6.396 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.836 -1.777 6.088 1.00 0.00 H new ATOM 553 N VAL A 39 2.109 0.342 6.171 1.00 0.00 N ATOM 554 CA VAL A 39 0.753 0.605 6.496 1.00 0.00 C ATOM 555 C VAL A 39 0.650 0.922 7.985 1.00 0.00 C ATOM 556 O VAL A 39 1.227 0.225 8.816 1.00 0.00 O ATOM 557 CB VAL A 39 -0.152 -0.593 6.120 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.597 -0.280 6.413 1.00 0.00 C ATOM 559 CG2 VAL A 39 0.016 -0.944 4.645 1.00 0.00 C ATOM 0 H VAL A 39 2.359 -0.647 6.157 1.00 0.00 H new ATOM 0 HA VAL A 39 0.406 1.463 5.921 1.00 0.00 H new ATOM 0 HB VAL A 39 0.149 -1.449 6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.217 -1.135 6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.715 -0.069 7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.905 0.590 5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.627 -1.788 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.260 -0.085 4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.055 -1.210 4.450 1.00 0.00 H new ATOM 569 N LYS A 40 -0.016 2.002 8.300 1.00 0.00 N ATOM 570 CA LYS A 40 -0.223 2.398 9.674 1.00 0.00 C ATOM 571 C LYS A 40 -1.454 1.755 10.217 1.00 0.00 C ATOM 572 O LYS A 40 -1.442 1.130 11.273 1.00 0.00 O ATOM 573 CB LYS A 40 -0.415 3.907 9.798 1.00 0.00 C ATOM 574 CG LYS A 40 0.835 4.706 9.946 1.00 0.00 C ATOM 575 CD LYS A 40 1.628 4.313 11.194 1.00 0.00 C ATOM 576 CE LYS A 40 0.800 4.426 12.460 1.00 0.00 C ATOM 577 NZ LYS A 40 1.543 3.944 13.635 1.00 0.00 N ATOM 0 H LYS A 40 -0.431 2.633 7.614 1.00 0.00 H new ATOM 0 HA LYS A 40 0.663 2.087 10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.949 4.261 8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.055 4.104 10.658 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.459 4.568 9.063 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.583 5.765 9.996 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.986 3.289 11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.507 4.951 11.279 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.508 5.465 12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.119 3.850 12.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.948 4.035 14.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.800 2.946 13.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.407 4.510 13.756 1.00 0.00 H new ATOM 591 N THR A 41 -2.516 1.944 9.495 1.00 0.00 N ATOM 592 CA THR A 41 -3.819 1.477 9.886 1.00 0.00 C ATOM 593 C THR A 41 -4.530 1.054 8.615 1.00 0.00 C ATOM 594 O THR A 41 -4.165 1.531 7.529 1.00 0.00 O ATOM 595 CB THR A 41 -4.612 2.639 10.466 1.00 0.00 C ATOM 596 OG1 THR A 41 -3.713 3.610 11.054 1.00 0.00 O ATOM 597 CG2 THR A 41 -5.573 2.167 11.531 1.00 0.00 C ATOM 0 H THR A 41 -2.506 2.435 8.601 1.00 0.00 H new ATOM 0 HA THR A 41 -3.735 0.669 10.613 1.00 0.00 H new ATOM 0 HB THR A 41 -5.176 3.092 9.651 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.115 4.502 11.001 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.125 3.020 11.927 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.272 1.451 11.099 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.016 1.689 12.337 1.00 0.00 H new ATOM 605 N VAL A 42 -5.559 0.239 8.714 1.00 0.00 N ATOM 606 CA VAL A 42 -6.239 -0.217 7.546 1.00 0.00 C ATOM 607 C VAL A 42 -7.686 -0.034 7.753 1.00 0.00 C ATOM 608 O VAL A 42 -8.363 -0.932 8.239 1.00 0.00 O ATOM 609 CB VAL A 42 -5.987 -1.698 7.170 1.00 0.00 C ATOM 610 CG1 VAL A 42 -6.739 -2.035 5.905 1.00 0.00 C ATOM 611 CG2 VAL A 42 -4.543 -1.967 6.968 1.00 0.00 C ATOM 0 H VAL A 42 -5.933 -0.114 9.595 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.844 0.374 6.720 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.340 -2.319 7.993 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.560 -3.078 5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.806 -1.879 6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.394 -1.392 5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.401 -3.015 6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.165 -1.337 6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.000 -1.747 7.887 1.00 0.00 H new ATOM 621 N THR A 43 -8.143 1.139 7.424 1.00 0.00 N ATOM 622 CA THR A 43 -9.521 1.489 7.545 1.00 0.00 C ATOM 623 C THR A 43 -10.027 1.214 9.020 1.00 0.00 C ATOM 624 O THR A 43 -9.226 1.033 9.954 1.00 0.00 O ATOM 625 CB THR A 43 -10.199 0.562 6.479 1.00 0.00 C ATOM 626 OG1 THR A 43 -9.701 0.872 5.177 1.00 0.00 O ATOM 627 CG2 THR A 43 -11.690 0.559 6.458 1.00 0.00 C ATOM 0 H THR A 43 -7.556 1.889 7.059 1.00 0.00 H new ATOM 0 HA THR A 43 -9.743 2.542 7.372 1.00 0.00 H new ATOM 0 HB THR A 43 -9.926 -0.447 6.786 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.350 1.434 4.704 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.042 -0.119 5.680 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.067 0.228 7.426 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.053 1.566 6.253 1.00 0.00 H new ATOM 635 N GLU A 44 -11.294 1.306 9.222 1.00 0.00 N ATOM 636 CA GLU A 44 -11.933 0.732 10.349 1.00 0.00 C ATOM 637 C GLU A 44 -12.138 -0.761 9.974 1.00 0.00 C ATOM 638 O GLU A 44 -11.404 -1.302 9.123 1.00 0.00 O ATOM 639 CB GLU A 44 -13.265 1.437 10.547 1.00 0.00 C ATOM 640 CG GLU A 44 -14.172 1.350 9.347 1.00 0.00 C ATOM 641 CD GLU A 44 -15.467 2.055 9.547 1.00 0.00 C ATOM 642 OE1 GLU A 44 -15.514 3.280 9.382 1.00 0.00 O ATOM 643 OE2 GLU A 44 -16.470 1.405 9.880 1.00 0.00 O ATOM 0 H GLU A 44 -11.929 1.795 8.591 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.364 0.826 11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.772 1.004 11.409 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.081 2.486 10.779 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.663 1.775 8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.366 0.302 9.120 1.00 0.00 H new ATOM 650 N GLY A 45 -13.104 -1.416 10.516 1.00 0.00 N ATOM 651 CA GLY A 45 -13.322 -2.768 10.123 1.00 0.00 C ATOM 652 C GLY A 45 -14.326 -2.851 9.033 1.00 0.00 C ATOM 653 O GLY A 45 -15.376 -3.469 9.174 1.00 0.00 O ATOM 0 H GLY A 45 -13.746 -1.049 11.219 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.382 -3.210 9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.662 -3.349 10.980 1.00 0.00 H new ATOM 657 N GLY A 46 -14.019 -2.164 7.968 1.00 0.00 N ATOM 658 CA GLY A 46 -14.780 -2.223 6.803 1.00 0.00 C ATOM 659 C GLY A 46 -14.183 -3.247 5.891 1.00 0.00 C ATOM 660 O GLY A 46 -13.334 -4.040 6.310 1.00 0.00 O ATOM 0 H GLY A 46 -13.212 -1.542 7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.812 -2.483 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.800 -1.248 6.315 1.00 0.00 H new ATOM 664 N ALA A 47 -14.512 -3.151 4.654 1.00 0.00 N ATOM 665 CA ALA A 47 -14.177 -4.164 3.630 1.00 0.00 C ATOM 666 C ALA A 47 -12.672 -4.443 3.454 1.00 0.00 C ATOM 667 O ALA A 47 -12.307 -5.455 2.921 1.00 0.00 O ATOM 668 CB ALA A 47 -14.834 -3.844 2.292 1.00 0.00 C ATOM 0 H ALA A 47 -15.035 -2.359 4.282 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.593 -5.093 4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.566 -4.609 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.917 -3.822 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.489 -2.872 1.941 1.00 0.00 H new ATOM 674 N ALA A 48 -11.817 -3.548 3.929 1.00 0.00 N ATOM 675 CA ALA A 48 -10.372 -3.735 3.827 1.00 0.00 C ATOM 676 C ALA A 48 -9.938 -4.802 4.813 1.00 0.00 C ATOM 677 O ALA A 48 -9.424 -5.851 4.428 1.00 0.00 O ATOM 678 CB ALA A 48 -9.661 -2.426 4.105 1.00 0.00 C ATOM 0 H ALA A 48 -12.097 -2.683 4.390 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.111 -4.057 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.584 -2.573 4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.978 -1.678 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.909 -2.084 5.110 1.00 0.00 H new ATOM 684 N GLN A 49 -10.182 -4.550 6.084 1.00 0.00 N ATOM 685 CA GLN A 49 -9.878 -5.529 7.108 1.00 0.00 C ATOM 686 C GLN A 49 -10.821 -6.736 7.058 1.00 0.00 C ATOM 687 O GLN A 49 -10.469 -7.815 7.528 1.00 0.00 O ATOM 688 CB GLN A 49 -9.845 -4.909 8.491 1.00 0.00 C ATOM 689 CG GLN A 49 -8.680 -3.976 8.710 1.00 0.00 C ATOM 690 CD GLN A 49 -8.538 -3.558 10.159 1.00 0.00 C ATOM 691 OE1 GLN A 49 -7.854 -4.220 10.945 1.00 0.00 O ATOM 692 NE2 GLN A 49 -9.147 -2.470 10.525 1.00 0.00 N ATOM 0 H GLN A 49 -10.588 -3.681 6.431 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.876 -5.900 6.892 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.773 -4.362 8.656 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.807 -5.704 9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.761 -4.464 8.384 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.807 -3.089 8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.705 -1.946 9.850 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.067 -2.140 11.487 1.00 0.00 H new ATOM 701 N ARG A 50 -12.027 -6.553 6.502 1.00 0.00 N ATOM 702 CA ARG A 50 -12.933 -7.684 6.317 1.00 0.00 C ATOM 703 C ARG A 50 -12.391 -8.595 5.250 1.00 0.00 C ATOM 704 O ARG A 50 -12.510 -9.818 5.355 1.00 0.00 O ATOM 705 CB ARG A 50 -14.340 -7.263 5.923 1.00 0.00 C ATOM 706 CG ARG A 50 -15.063 -6.461 6.967 1.00 0.00 C ATOM 707 CD ARG A 50 -15.362 -7.236 8.235 1.00 0.00 C ATOM 708 NE ARG A 50 -16.108 -6.390 9.159 1.00 0.00 N ATOM 709 CZ ARG A 50 -16.248 -6.571 10.469 1.00 0.00 C ATOM 710 NH1 ARG A 50 -15.665 -7.603 11.080 1.00 0.00 N ATOM 711 NH2 ARG A 50 -16.977 -5.700 11.170 1.00 0.00 N ATOM 0 H ARG A 50 -12.387 -5.654 6.181 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.996 -8.193 7.279 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.287 -6.678 5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.924 -8.156 5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.464 -5.586 7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.000 -6.095 6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.938 -8.131 7.999 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.433 -7.568 8.699 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.571 -5.574 8.759 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.104 -8.264 10.542 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.780 -7.731 12.085 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.417 -4.909 10.700 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.094 -5.825 12.176 1.00 0.00 H new ATOM 725 N ASP A 51 -11.789 -7.991 4.201 1.00 0.00 N ATOM 726 CA ASP A 51 -11.192 -8.791 3.121 1.00 0.00 C ATOM 727 C ASP A 51 -10.114 -9.683 3.694 1.00 0.00 C ATOM 728 O ASP A 51 -10.068 -10.886 3.419 1.00 0.00 O ATOM 729 CB ASP A 51 -10.607 -7.923 2.015 1.00 0.00 C ATOM 730 CG ASP A 51 -10.147 -8.756 0.845 1.00 0.00 C ATOM 731 OD1 ASP A 51 -10.978 -9.043 -0.052 1.00 0.00 O ATOM 732 OD2 ASP A 51 -8.970 -9.148 0.805 1.00 0.00 O ATOM 0 H ASP A 51 -11.707 -6.981 4.084 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.985 -9.392 2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.355 -7.205 1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.767 -7.349 2.407 1.00 0.00 H new ATOM 737 N GLY A 52 -9.250 -9.085 4.480 1.00 0.00 N ATOM 738 CA GLY A 52 -8.271 -9.831 5.226 1.00 0.00 C ATOM 739 C GLY A 52 -7.056 -10.272 4.438 1.00 0.00 C ATOM 740 O GLY A 52 -6.087 -10.743 5.033 1.00 0.00 O ATOM 0 H GLY A 52 -9.208 -8.075 4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.937 -9.222 6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.753 -10.715 5.644 1.00 0.00 H new ATOM 744 N ARG A 53 -7.074 -10.140 3.112 1.00 0.00 N ATOM 745 CA ARG A 53 -5.921 -10.561 2.335 1.00 0.00 C ATOM 746 C ARG A 53 -4.821 -9.519 2.503 1.00 0.00 C ATOM 747 O ARG A 53 -3.641 -9.827 2.445 1.00 0.00 O ATOM 748 CB ARG A 53 -6.299 -10.795 0.846 1.00 0.00 C ATOM 749 CG ARG A 53 -5.333 -11.700 0.063 1.00 0.00 C ATOM 750 CD ARG A 53 -4.075 -10.982 -0.397 1.00 0.00 C ATOM 751 NE ARG A 53 -3.046 -11.920 -0.853 1.00 0.00 N ATOM 752 CZ ARG A 53 -2.549 -12.016 -2.095 1.00 0.00 C ATOM 753 NH1 ARG A 53 -3.087 -11.321 -3.109 1.00 0.00 N ATOM 754 NH2 ARG A 53 -1.530 -12.839 -2.324 1.00 0.00 N ATOM 0 H ARG A 53 -7.850 -9.757 2.572 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.553 -11.520 2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.296 -11.233 0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.354 -9.829 0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.051 -12.547 0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.850 -12.105 -0.807 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.324 -10.295 -1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.681 -10.380 0.422 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.670 -12.564 -0.157 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.885 -10.709 -2.941 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.698 -11.405 -4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.136 -13.388 -1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.142 -12.922 -3.264 1.00 0.00 H new ATOM 768 N ILE A 54 -5.233 -8.306 2.756 1.00 0.00 N ATOM 769 CA ILE A 54 -4.325 -7.210 2.990 1.00 0.00 C ATOM 770 C ILE A 54 -4.197 -7.037 4.511 1.00 0.00 C ATOM 771 O ILE A 54 -5.146 -7.369 5.259 1.00 0.00 O ATOM 772 CB ILE A 54 -4.881 -5.908 2.342 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.814 -4.816 2.287 1.00 0.00 C ATOM 774 CG2 ILE A 54 -6.113 -5.403 3.109 1.00 0.00 C ATOM 775 CD1 ILE A 54 -4.250 -3.608 1.493 1.00 0.00 C ATOM 0 H ILE A 54 -6.218 -8.046 2.806 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.351 -7.414 2.546 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.176 -6.149 1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.565 -4.507 3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.905 -5.225 1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.486 -4.493 2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.891 -6.166 3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.837 -5.192 4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.451 -2.867 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.472 -3.907 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.142 -3.177 1.947 1.00 0.00 H new ATOM 787 N GLN A 55 -3.061 -6.588 4.989 1.00 0.00 N ATOM 788 CA GLN A 55 -2.894 -6.411 6.406 1.00 0.00 C ATOM 789 C GLN A 55 -2.286 -5.063 6.756 1.00 0.00 C ATOM 790 O GLN A 55 -1.792 -4.338 5.905 1.00 0.00 O ATOM 791 CB GLN A 55 -2.066 -7.539 7.028 1.00 0.00 C ATOM 792 CG GLN A 55 -2.693 -8.913 6.909 1.00 0.00 C ATOM 793 CD GLN A 55 -1.866 -9.977 7.566 1.00 0.00 C ATOM 794 OE1 GLN A 55 -2.034 -10.270 8.748 1.00 0.00 O ATOM 795 NE2 GLN A 55 -0.968 -10.558 6.827 1.00 0.00 N ATOM 0 H GLN A 55 -2.249 -6.342 4.423 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.897 -6.444 6.831 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.085 -7.558 6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.905 -7.316 8.083 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.685 -8.897 7.360 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.826 -9.159 5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.859 -10.287 5.850 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.373 -11.285 7.224 1.00 0.00 H new ATOM 804 N VAL A 56 -2.294 -4.765 8.042 1.00 0.00 N ATOM 805 CA VAL A 56 -1.769 -3.513 8.574 1.00 0.00 C ATOM 806 C VAL A 56 -0.247 -3.623 8.755 1.00 0.00 C ATOM 807 O VAL A 56 0.427 -2.670 9.104 1.00 0.00 O ATOM 808 CB VAL A 56 -2.456 -3.192 9.945 1.00 0.00 C ATOM 809 CG1 VAL A 56 -1.966 -4.108 11.071 1.00 0.00 C ATOM 810 CG2 VAL A 56 -2.341 -1.725 10.318 1.00 0.00 C ATOM 0 H VAL A 56 -2.668 -5.389 8.757 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.983 -2.705 7.874 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.517 -3.400 9.811 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.472 -3.845 12.000 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.187 -5.145 10.818 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.890 -3.986 11.197 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.832 -1.553 11.276 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.289 -1.451 10.396 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.819 -1.116 9.551 1.00 0.00 H new ATOM 820 N ASN A 57 0.275 -4.799 8.483 1.00 0.00 N ATOM 821 CA ASN A 57 1.701 -5.075 8.643 1.00 0.00 C ATOM 822 C ASN A 57 2.347 -5.083 7.259 1.00 0.00 C ATOM 823 O ASN A 57 3.471 -5.547 7.053 1.00 0.00 O ATOM 824 CB ASN A 57 1.880 -6.437 9.369 1.00 0.00 C ATOM 825 CG ASN A 57 3.319 -6.748 9.805 1.00 0.00 C ATOM 826 OD1 ASN A 57 4.098 -7.399 9.085 1.00 0.00 O ATOM 827 ND2 ASN A 57 3.680 -6.290 10.980 1.00 0.00 N ATOM 0 H ASN A 57 -0.268 -5.594 8.145 1.00 0.00 H new ATOM 0 HA ASN A 57 2.185 -4.309 9.249 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.237 -6.451 10.249 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.535 -7.233 8.709 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.623 -6.464 11.328 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.018 -5.760 11.546 1.00 0.00 H new ATOM 834 N ASP A 58 1.634 -4.544 6.310 1.00 0.00 N ATOM 835 CA ASP A 58 2.113 -4.513 4.956 1.00 0.00 C ATOM 836 C ASP A 58 2.841 -3.241 4.638 1.00 0.00 C ATOM 837 O ASP A 58 2.946 -2.320 5.468 1.00 0.00 O ATOM 838 CB ASP A 58 1.003 -4.741 3.926 1.00 0.00 C ATOM 839 CG ASP A 58 0.489 -6.166 3.866 1.00 0.00 C ATOM 840 OD1 ASP A 58 1.296 -7.106 3.965 1.00 0.00 O ATOM 841 OD2 ASP A 58 -0.727 -6.368 3.707 1.00 0.00 O ATOM 0 H ASP A 58 0.717 -4.119 6.449 1.00 0.00 H new ATOM 0 HA ASP A 58 2.815 -5.344 4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.170 -4.076 4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.375 -4.460 2.941 1.00 0.00 H new ATOM 846 N GLN A 59 3.326 -3.192 3.439 1.00 0.00 N ATOM 847 CA GLN A 59 4.041 -2.087 2.918 1.00 0.00 C ATOM 848 C GLN A 59 3.516 -1.868 1.506 1.00 0.00 C ATOM 849 O GLN A 59 3.532 -2.790 0.692 1.00 0.00 O ATOM 850 CB GLN A 59 5.537 -2.422 2.916 1.00 0.00 C ATOM 851 CG GLN A 59 6.435 -1.289 2.470 1.00 0.00 C ATOM 852 CD GLN A 59 7.913 -1.626 2.524 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.317 -2.768 2.361 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.728 -0.636 2.740 1.00 0.00 N ATOM 0 H GLN A 59 3.227 -3.958 2.773 1.00 0.00 H new ATOM 0 HA GLN A 59 3.908 -1.182 3.511 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.829 -2.726 3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.703 -3.279 2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.172 -1.009 1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.246 -0.419 3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.362 0.307 2.872 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.734 -0.802 2.777 1.00 0.00 H new ATOM 863 N ILE A 60 3.014 -0.686 1.234 1.00 0.00 N ATOM 864 CA ILE A 60 2.399 -0.398 -0.057 1.00 0.00 C ATOM 865 C ILE A 60 3.482 -0.258 -1.120 1.00 0.00 C ATOM 866 O ILE A 60 4.244 0.694 -1.099 1.00 0.00 O ATOM 867 CB ILE A 60 1.597 0.928 -0.036 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.529 0.947 1.079 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.948 1.143 -1.386 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.508 -0.157 0.988 1.00 0.00 C ATOM 0 H ILE A 60 3.016 0.099 1.886 1.00 0.00 H new ATOM 0 HA ILE A 60 1.722 -1.223 -0.278 1.00 0.00 H new ATOM 0 HB ILE A 60 2.294 1.739 0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.031 0.876 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.017 1.909 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.383 2.075 -1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.718 1.195 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.275 0.314 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.215 -0.061 1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.042 -0.077 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.013 -1.127 1.045 1.00 0.00 H new ATOM 882 N VAL A 61 3.533 -1.185 -2.039 1.00 0.00 N ATOM 883 CA VAL A 61 4.557 -1.161 -3.065 1.00 0.00 C ATOM 884 C VAL A 61 4.049 -0.407 -4.309 1.00 0.00 C ATOM 885 O VAL A 61 4.679 0.542 -4.800 1.00 0.00 O ATOM 886 CB VAL A 61 5.006 -2.617 -3.419 1.00 0.00 C ATOM 887 CG1 VAL A 61 6.048 -2.667 -4.509 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.507 -3.343 -2.177 1.00 0.00 C ATOM 0 H VAL A 61 2.882 -1.967 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 61 5.429 -0.628 -2.686 1.00 0.00 H new ATOM 0 HB VAL A 61 4.122 -3.125 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.317 -3.704 -4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.647 -2.216 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.934 -2.117 -4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.814 -4.354 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.357 -2.804 -1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.708 -3.391 -1.437 1.00 0.00 H new ATOM 898 N GLU A 62 2.893 -0.789 -4.780 1.00 0.00 N ATOM 899 CA GLU A 62 2.323 -0.191 -5.957 1.00 0.00 C ATOM 900 C GLU A 62 0.807 -0.261 -5.925 1.00 0.00 C ATOM 901 O GLU A 62 0.226 -1.314 -6.012 1.00 0.00 O ATOM 902 CB GLU A 62 2.883 -0.878 -7.206 1.00 0.00 C ATOM 903 CG GLU A 62 2.227 -0.471 -8.503 1.00 0.00 C ATOM 904 CD GLU A 62 2.889 -1.104 -9.682 1.00 0.00 C ATOM 905 OE1 GLU A 62 2.533 -2.225 -10.062 1.00 0.00 O ATOM 906 OE2 GLU A 62 3.793 -0.500 -10.247 1.00 0.00 O ATOM 0 H GLU A 62 2.321 -1.522 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 62 2.597 0.864 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.950 -0.665 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.780 -1.957 -7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.174 -0.753 -8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.264 0.614 -8.604 1.00 0.00 H new ATOM 913 N VAL A 63 0.179 0.856 -5.760 1.00 0.00 N ATOM 914 CA VAL A 63 -1.261 0.912 -5.772 1.00 0.00 C ATOM 915 C VAL A 63 -1.769 1.433 -7.089 1.00 0.00 C ATOM 916 O VAL A 63 -1.244 2.407 -7.608 1.00 0.00 O ATOM 917 CB VAL A 63 -1.824 1.730 -4.574 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.232 2.242 -4.854 1.00 0.00 C ATOM 919 CG2 VAL A 63 -1.863 0.833 -3.373 1.00 0.00 C ATOM 0 H VAL A 63 0.638 1.755 -5.613 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.628 -0.108 -5.653 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.180 2.593 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.591 2.808 -3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.217 2.887 -5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.897 1.398 -5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.255 1.385 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.507 -0.022 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.856 0.483 -3.147 1.00 0.00 H new ATOM 929 N ASP A 64 -2.705 0.687 -7.669 1.00 0.00 N ATOM 930 CA ASP A 64 -3.442 1.061 -8.907 1.00 0.00 C ATOM 931 C ASP A 64 -2.507 1.137 -10.127 1.00 0.00 C ATOM 932 O ASP A 64 -2.886 1.563 -11.205 1.00 0.00 O ATOM 933 CB ASP A 64 -4.240 2.387 -8.699 1.00 0.00 C ATOM 934 CG ASP A 64 -5.229 2.707 -9.821 1.00 0.00 C ATOM 935 OD1 ASP A 64 -6.384 2.174 -9.800 1.00 0.00 O ATOM 936 OD2 ASP A 64 -4.888 3.491 -10.735 1.00 0.00 O ATOM 0 H ASP A 64 -2.990 -0.218 -7.295 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.164 0.272 -9.117 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.784 2.326 -7.757 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.534 3.212 -8.606 1.00 0.00 H new ATOM 941 N GLY A 65 -1.295 0.664 -9.945 1.00 0.00 N ATOM 942 CA GLY A 65 -0.308 0.727 -10.991 1.00 0.00 C ATOM 943 C GLY A 65 0.329 2.100 -11.069 1.00 0.00 C ATOM 944 O GLY A 65 0.893 2.472 -12.089 1.00 0.00 O ATOM 0 H GLY A 65 -0.972 0.231 -9.080 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.462 -0.023 -10.812 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.773 0.485 -11.947 1.00 0.00 H new ATOM 948 N ILE A 66 0.225 2.870 -9.983 1.00 0.00 N ATOM 949 CA ILE A 66 0.803 4.204 -9.933 1.00 0.00 C ATOM 950 C ILE A 66 2.328 4.120 -9.738 1.00 0.00 C ATOM 951 O ILE A 66 3.060 5.051 -10.061 1.00 0.00 O ATOM 952 CB ILE A 66 0.143 5.063 -8.794 1.00 0.00 C ATOM 953 CG1 ILE A 66 0.272 6.541 -9.137 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.809 4.780 -7.439 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.485 7.453 -8.220 1.00 0.00 C ATOM 0 H ILE A 66 -0.256 2.587 -9.129 1.00 0.00 H new ATOM 0 HA ILE A 66 0.601 4.699 -10.883 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.910 4.794 -8.718 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.326 6.817 -9.116 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.078 6.698 -10.157 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.335 5.386 -6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.696 3.724 -7.192 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.869 5.028 -7.496 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.340 8.487 -8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.546 7.208 -8.258 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.120 7.329 -7.200 1.00 0.00 H new ATOM 967 N SER A 67 2.774 2.960 -9.267 1.00 0.00 N ATOM 968 CA SER A 67 4.165 2.682 -8.908 1.00 0.00 C ATOM 969 C SER A 67 4.761 3.783 -8.026 1.00 0.00 C ATOM 970 O SER A 67 5.395 4.715 -8.502 1.00 0.00 O ATOM 971 CB SER A 67 5.045 2.345 -10.143 1.00 0.00 C ATOM 972 OG SER A 67 4.946 3.334 -11.173 1.00 0.00 O ATOM 0 H SER A 67 2.159 2.160 -9.119 1.00 0.00 H new ATOM 0 HA SER A 67 4.158 1.777 -8.301 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.085 2.254 -9.830 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.747 1.376 -10.544 1.00 0.00 H new ATOM 0 HG SER A 67 4.900 4.225 -10.768 1.00 0.00 H new ATOM 978 N LEU A 68 4.532 3.673 -6.743 1.00 0.00 N ATOM 979 CA LEU A 68 4.963 4.693 -5.801 1.00 0.00 C ATOM 980 C LEU A 68 6.280 4.294 -5.169 1.00 0.00 C ATOM 981 O LEU A 68 6.672 4.801 -4.128 1.00 0.00 O ATOM 982 CB LEU A 68 3.875 4.913 -4.758 1.00 0.00 C ATOM 983 CG LEU A 68 3.502 3.703 -3.934 1.00 0.00 C ATOM 984 CD1 LEU A 68 4.020 3.818 -2.509 1.00 0.00 C ATOM 985 CD2 LEU A 68 2.020 3.474 -3.991 1.00 0.00 C ATOM 0 H LEU A 68 4.046 2.884 -6.317 1.00 0.00 H new ATOM 0 HA LEU A 68 5.125 5.636 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.200 5.704 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.980 5.275 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 68 3.987 2.826 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.733 2.930 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.107 3.904 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.592 4.702 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.764 2.599 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.501 4.348 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.717 3.308 -5.025 1.00 0.00 H new ATOM 997 N VAL A 69 6.926 3.356 -5.804 1.00 0.00 N ATOM 998 CA VAL A 69 8.252 2.916 -5.420 1.00 0.00 C ATOM 999 C VAL A 69 9.231 4.098 -5.449 1.00 0.00 C ATOM 1000 O VAL A 69 9.713 4.507 -6.506 1.00 0.00 O ATOM 1001 CB VAL A 69 8.776 1.774 -6.335 1.00 0.00 C ATOM 1002 CG1 VAL A 69 10.136 1.267 -5.857 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.772 0.630 -6.398 1.00 0.00 C ATOM 0 H VAL A 69 6.548 2.865 -6.614 1.00 0.00 H new ATOM 0 HA VAL A 69 8.183 2.522 -4.406 1.00 0.00 H new ATOM 0 HB VAL A 69 8.900 2.180 -7.339 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.479 0.469 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.856 2.085 -5.874 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.045 0.885 -4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.159 -0.158 -7.044 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.611 0.232 -5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.827 0.997 -6.799 1.00 0.00 H new ATOM 1013 N GLY A 70 9.452 4.673 -4.294 1.00 0.00 N ATOM 1014 CA GLY A 70 10.339 5.790 -4.176 1.00 0.00 C ATOM 1015 C GLY A 70 9.579 7.097 -4.088 1.00 0.00 C ATOM 1016 O GLY A 70 9.789 8.004 -4.897 1.00 0.00 O ATOM 0 H GLY A 70 9.023 4.378 -3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.961 5.670 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.010 5.815 -5.035 1.00 0.00 H new ATOM 1020 N VAL A 71 8.649 7.175 -3.151 1.00 0.00 N ATOM 1021 CA VAL A 71 7.898 8.394 -2.898 1.00 0.00 C ATOM 1022 C VAL A 71 7.845 8.643 -1.400 1.00 0.00 C ATOM 1023 O VAL A 71 8.294 7.796 -0.607 1.00 0.00 O ATOM 1024 CB VAL A 71 6.438 8.365 -3.459 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.410 8.083 -4.956 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.559 7.382 -2.695 1.00 0.00 C ATOM 0 H VAL A 71 8.393 6.396 -2.544 1.00 0.00 H new ATOM 0 HA VAL A 71 8.420 9.195 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 71 6.023 9.362 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.377 8.072 -5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.963 8.861 -5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.870 7.115 -5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.553 7.391 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.978 6.379 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.517 7.672 -1.645 1.00 0.00 H new ATOM 1036 N THR A 72 7.311 9.765 -1.022 1.00 0.00 N ATOM 1037 CA THR A 72 7.163 10.130 0.353 1.00 0.00 C ATOM 1038 C THR A 72 5.818 9.709 0.880 1.00 0.00 C ATOM 1039 O THR A 72 4.949 9.224 0.119 1.00 0.00 O ATOM 1040 CB THR A 72 7.306 11.637 0.498 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.520 12.267 -0.524 1.00 0.00 O ATOM 1042 CG2 THR A 72 8.756 12.060 0.387 1.00 0.00 C ATOM 0 H THR A 72 6.959 10.466 -1.674 1.00 0.00 H new ATOM 0 HA THR A 72 7.938 9.622 0.927 1.00 0.00 H new ATOM 0 HB THR A 72 6.953 11.942 1.483 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.843 13.181 -0.669 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.829 13.142 0.494 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.337 11.578 1.173 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.148 11.765 -0.586 1.00 0.00 H new ATOM 1050 N GLN A 73 5.620 9.920 2.169 1.00 0.00 N ATOM 1051 CA GLN A 73 4.381 9.548 2.792 1.00 0.00 C ATOM 1052 C GLN A 73 3.237 10.403 2.248 1.00 0.00 C ATOM 1053 O GLN A 73 2.130 9.929 2.108 1.00 0.00 O ATOM 1054 CB GLN A 73 4.449 9.576 4.359 1.00 0.00 C ATOM 1055 CG GLN A 73 4.019 10.873 5.050 1.00 0.00 C ATOM 1056 CD GLN A 73 4.909 12.048 4.758 1.00 0.00 C ATOM 1057 OE1 GLN A 73 4.453 13.185 4.719 1.00 0.00 O ATOM 1058 NE2 GLN A 73 6.168 11.805 4.585 1.00 0.00 N ATOM 0 H GLN A 73 6.304 10.346 2.795 1.00 0.00 H new ATOM 0 HA GLN A 73 4.185 8.508 2.532 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.826 8.767 4.740 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.474 9.357 4.658 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.002 11.116 4.742 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.995 10.708 6.127 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.512 10.846 4.624 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.816 12.573 4.409 1.00 0.00 H new ATOM 1067 N ASN A 74 3.539 11.646 1.873 1.00 0.00 N ATOM 1068 CA ASN A 74 2.512 12.539 1.360 1.00 0.00 C ATOM 1069 C ASN A 74 2.026 12.088 -0.012 1.00 0.00 C ATOM 1070 O ASN A 74 0.825 12.168 -0.302 1.00 0.00 O ATOM 1071 CB ASN A 74 2.937 14.033 1.343 1.00 0.00 C ATOM 1072 CG ASN A 74 4.127 14.337 0.451 1.00 0.00 C ATOM 1073 OD1 ASN A 74 3.978 14.562 -0.751 1.00 0.00 O ATOM 1074 ND2 ASN A 74 5.293 14.410 1.025 1.00 0.00 N ATOM 0 H ASN A 74 4.475 12.049 1.915 1.00 0.00 H new ATOM 0 HA ASN A 74 1.681 12.474 2.062 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.090 14.635 1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.173 14.342 2.361 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.116 14.659 0.477 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.383 14.218 2.023 1.00 0.00 H new ATOM 1081 N PHE A 75 2.940 11.573 -0.844 1.00 0.00 N ATOM 1082 CA PHE A 75 2.549 11.073 -2.154 1.00 0.00 C ATOM 1083 C PHE A 75 1.709 9.839 -1.963 1.00 0.00 C ATOM 1084 O PHE A 75 0.598 9.736 -2.495 1.00 0.00 O ATOM 1085 CB PHE A 75 3.762 10.713 -3.024 1.00 0.00 C ATOM 1086 CG PHE A 75 3.398 10.333 -4.465 1.00 0.00 C ATOM 1087 CD1 PHE A 75 2.999 9.025 -4.806 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.456 11.282 -5.474 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.673 8.701 -6.112 1.00 0.00 C ATOM 1090 CE2 PHE A 75 3.130 10.954 -6.779 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.738 9.665 -7.096 1.00 0.00 C ATOM 0 H PHE A 75 3.935 11.495 -0.633 1.00 0.00 H new ATOM 0 HA PHE A 75 1.995 11.861 -2.664 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.448 11.560 -3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.295 9.882 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.947 8.266 -4.039 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.760 12.291 -5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.368 7.695 -6.360 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.182 11.706 -7.552 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.483 9.414 -8.115 1.00 0.00 H new ATOM 1101 N ALA A 76 2.240 8.915 -1.172 1.00 0.00 N ATOM 1102 CA ALA A 76 1.589 7.652 -0.923 1.00 0.00 C ATOM 1103 C ALA A 76 0.215 7.841 -0.305 1.00 0.00 C ATOM 1104 O ALA A 76 -0.748 7.266 -0.783 1.00 0.00 O ATOM 1105 CB ALA A 76 2.456 6.764 -0.068 1.00 0.00 C ATOM 0 H ALA A 76 3.132 9.027 -0.690 1.00 0.00 H new ATOM 0 HA ALA A 76 1.443 7.159 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.946 5.817 0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.401 6.578 -0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.649 7.254 0.886 1.00 0.00 H new ATOM 1111 N ALA A 77 0.118 8.689 0.715 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.155 8.963 1.372 1.00 0.00 C ATOM 1113 C ALA A 77 -2.167 9.494 0.376 1.00 0.00 C ATOM 1114 O ALA A 77 -3.326 9.145 0.436 1.00 0.00 O ATOM 1115 CB ALA A 77 -0.982 9.938 2.523 1.00 0.00 C ATOM 0 H ALA A 77 0.910 9.200 1.105 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.528 8.023 1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.948 10.122 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.296 9.516 3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.577 10.877 2.146 1.00 0.00 H new ATOM 1121 N THR A 78 -1.702 10.302 -0.562 1.00 0.00 N ATOM 1122 CA THR A 78 -2.544 10.826 -1.610 1.00 0.00 C ATOM 1123 C THR A 78 -3.062 9.695 -2.524 1.00 0.00 C ATOM 1124 O THR A 78 -4.245 9.668 -2.872 1.00 0.00 O ATOM 1125 CB THR A 78 -1.787 11.890 -2.425 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.470 13.001 -1.574 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.589 12.363 -3.626 1.00 0.00 C ATOM 0 H THR A 78 -0.731 10.609 -0.613 1.00 0.00 H new ATOM 0 HA THR A 78 -3.410 11.300 -1.147 1.00 0.00 H new ATOM 0 HB THR A 78 -0.871 11.438 -2.806 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.693 12.778 -1.020 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.017 13.113 -4.173 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.797 11.517 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.529 12.799 -3.287 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.193 8.760 -2.875 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.585 7.609 -3.691 1.00 0.00 C ATOM 1137 C VAL A 79 -3.644 6.801 -2.958 1.00 0.00 C ATOM 1138 O VAL A 79 -4.724 6.557 -3.483 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.393 6.681 -4.010 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -1.828 5.532 -4.923 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.270 7.468 -4.634 1.00 0.00 C ATOM 0 H VAL A 79 -1.208 8.771 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.973 8.000 -4.632 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.032 6.248 -3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.972 4.891 -5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.605 4.949 -4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.217 5.937 -5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.564 6.801 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.619 7.929 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.059 8.244 -3.943 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.345 6.463 -1.714 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.253 5.696 -0.855 1.00 0.00 C ATOM 1153 C LEU A 80 -5.495 6.510 -0.435 1.00 0.00 C ATOM 1154 O LEU A 80 -6.359 6.018 0.273 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.524 5.137 0.393 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.546 3.945 0.195 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -3.221 2.807 -0.522 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.277 4.334 -0.529 1.00 0.00 C ATOM 0 H LEU A 80 -2.464 6.711 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.600 4.855 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.965 5.955 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.283 4.830 1.113 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.258 3.621 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.515 1.986 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.075 2.465 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.562 3.145 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.636 3.459 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.526 4.724 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.752 5.100 0.042 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.542 7.753 -0.851 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.676 8.632 -0.633 1.00 0.00 C ATOM 1172 C ARG A 81 -7.531 8.681 -1.903 1.00 0.00 C ATOM 1173 O ARG A 81 -8.745 8.814 -1.846 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.163 10.043 -0.204 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.212 11.138 -0.034 1.00 0.00 C ATOM 1176 CD ARG A 81 -7.504 11.886 -1.338 1.00 0.00 C ATOM 1177 NE ARG A 81 -8.656 12.787 -1.169 1.00 0.00 N ATOM 1178 CZ ARG A 81 -9.117 13.687 -2.050 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -8.426 13.979 -3.143 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -10.263 14.325 -1.798 1.00 0.00 N ATOM 0 H ARG A 81 -4.778 8.195 -1.362 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.307 8.255 0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.628 9.937 0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.438 10.380 -0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.135 10.696 0.341 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.871 11.849 0.719 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.627 12.460 -1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.707 11.172 -2.136 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.159 12.719 -0.284 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.534 13.517 -3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.786 14.665 -3.806 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.780 14.126 -0.941 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.621 15.011 -2.462 1.00 0.00 H new ATOM 1194 N ASN A 82 -6.881 8.513 -3.039 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.528 8.577 -4.357 1.00 0.00 C ATOM 1196 C ASN A 82 -8.099 7.243 -4.772 1.00 0.00 C ATOM 1197 O ASN A 82 -8.654 7.092 -5.861 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.545 9.078 -5.412 1.00 0.00 C ATOM 1199 CG ASN A 82 -6.504 10.580 -5.466 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -7.216 11.206 -6.248 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -5.715 11.175 -4.635 1.00 0.00 N ATOM 0 H ASN A 82 -5.879 8.326 -3.085 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.357 9.280 -4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.549 8.695 -5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.829 8.686 -6.389 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.670 12.194 -4.615 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.137 10.626 -3.999 1.00 0.00 H new ATOM 1208 N THR A 83 -7.933 6.281 -3.916 1.00 0.00 N ATOM 1209 CA THR A 83 -8.434 4.956 -4.115 1.00 0.00 C ATOM 1210 C THR A 83 -9.969 4.900 -4.120 1.00 0.00 C ATOM 1211 O THR A 83 -10.643 5.685 -3.439 1.00 0.00 O ATOM 1212 CB THR A 83 -7.895 4.078 -3.011 1.00 0.00 C ATOM 1213 OG1 THR A 83 -8.029 4.804 -1.784 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.431 3.737 -3.262 1.00 0.00 C ATOM 0 H THR A 83 -7.431 6.400 -3.036 1.00 0.00 H new ATOM 0 HA THR A 83 -8.104 4.608 -5.094 1.00 0.00 H new ATOM 0 HB THR A 83 -8.448 3.140 -2.969 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.979 4.929 -1.580 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.061 3.104 -2.455 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.338 3.208 -4.210 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.845 4.655 -3.300 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.476 3.973 -4.877 1.00 0.00 N ATOM 1223 CA LYS A 84 -11.889 3.710 -5.024 1.00 0.00 C ATOM 1224 C LYS A 84 -12.162 2.276 -4.598 1.00 0.00 C ATOM 1225 O LYS A 84 -11.397 1.745 -3.811 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.355 4.037 -6.481 1.00 0.00 C ATOM 1227 CG LYS A 84 -11.274 3.969 -7.576 1.00 0.00 C ATOM 1228 CD LYS A 84 -10.746 2.574 -7.881 1.00 0.00 C ATOM 1229 CE LYS A 84 -9.612 2.680 -8.910 1.00 0.00 C ATOM 1230 NZ LYS A 84 -9.059 1.378 -9.342 1.00 0.00 N ATOM 0 H LYS A 84 -9.896 3.348 -5.437 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.478 4.360 -4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.155 3.346 -6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.784 5.039 -6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.682 4.394 -8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.437 4.600 -7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.383 2.102 -6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.548 1.945 -8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.981 3.214 -9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.807 3.281 -8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.032 1.465 -9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.252 0.660 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.504 1.092 -10.237 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.247 1.695 -5.061 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.608 0.330 -4.720 1.00 0.00 C ATOM 1246 C GLY A 85 -12.535 -0.692 -5.049 1.00 0.00 C ATOM 1247 O GLY A 85 -11.828 -1.149 -4.162 1.00 0.00 O ATOM 0 H GLY A 85 -13.908 2.155 -5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.829 0.279 -3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.523 0.064 -5.249 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.408 -1.042 -6.304 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.414 -2.029 -6.714 1.00 0.00 C ATOM 1253 C ASN A 86 -10.046 -1.429 -6.797 1.00 0.00 C ATOM 1254 O ASN A 86 -9.760 -0.599 -7.667 1.00 0.00 O ATOM 1255 CB ASN A 86 -11.791 -2.742 -8.016 1.00 0.00 C ATOM 1256 CG ASN A 86 -12.745 -3.906 -7.791 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -12.314 -5.050 -7.632 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -14.025 -3.647 -7.760 1.00 0.00 N ATOM 0 H ASN A 86 -12.973 -0.666 -7.065 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.398 -2.792 -5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.251 -2.027 -8.698 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -10.886 -3.107 -8.501 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.694 -4.400 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.355 -2.691 -7.894 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.211 -1.817 -5.883 1.00 0.00 N ATOM 1266 CA VAL A 87 -7.873 -1.313 -5.803 1.00 0.00 C ATOM 1267 C VAL A 87 -6.908 -2.447 -5.901 1.00 0.00 C ATOM 1268 O VAL A 87 -7.050 -3.430 -5.206 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.593 -0.640 -4.462 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.315 0.160 -4.512 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.752 0.173 -3.990 1.00 0.00 C ATOM 0 H VAL A 87 -9.441 -2.501 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.761 -0.594 -6.614 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.453 -1.428 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.141 0.628 -3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.481 -0.500 -4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.398 0.931 -5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.508 0.633 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.972 0.951 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.624 -0.471 -3.871 1.00 0.00 H new ATOM 1281 N ARG A 88 -5.941 -2.315 -6.735 1.00 0.00 N ATOM 1282 CA ARG A 88 -4.908 -3.286 -6.828 1.00 0.00 C ATOM 1283 C ARG A 88 -3.712 -2.815 -6.043 1.00 0.00 C ATOM 1284 O ARG A 88 -2.965 -1.926 -6.477 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.572 -3.603 -8.282 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.705 -4.328 -8.996 1.00 0.00 C ATOM 1287 CD ARG A 88 -5.379 -4.618 -10.441 1.00 0.00 C ATOM 1288 NE ARG A 88 -6.432 -5.422 -11.087 1.00 0.00 N ATOM 1289 CZ ARG A 88 -6.435 -5.832 -12.360 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -5.442 -5.499 -13.180 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -7.433 -6.584 -12.799 1.00 0.00 N ATOM 0 H ARG A 88 -5.842 -1.528 -7.376 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.250 -4.225 -6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.348 -2.676 -8.810 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.672 -4.217 -8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.917 -5.264 -8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.610 -3.723 -8.944 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.255 -3.680 -10.981 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.428 -5.148 -10.500 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.230 -5.690 -10.511 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.670 -4.926 -12.839 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.453 -5.816 -14.149 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -8.190 -6.845 -12.168 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.444 -6.902 -13.768 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.608 -3.331 -4.845 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.514 -3.044 -3.958 1.00 0.00 C ATOM 1307 C PHE A 89 -1.440 -4.038 -4.219 1.00 0.00 C ATOM 1308 O PHE A 89 -1.551 -5.183 -3.815 1.00 0.00 O ATOM 1309 CB PHE A 89 -2.911 -3.208 -2.486 1.00 0.00 C ATOM 1310 CG PHE A 89 -4.009 -2.342 -1.988 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -5.324 -2.741 -2.083 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -3.723 -1.142 -1.389 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -6.328 -1.945 -1.586 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -4.719 -0.346 -0.900 1.00 0.00 C ATOM 1315 CZ PHE A 89 -6.023 -0.748 -0.996 1.00 0.00 C ATOM 0 H PHE A 89 -4.295 -3.975 -4.453 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.200 -2.015 -4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.199 -4.247 -2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.028 -3.023 -1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.567 -3.684 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.695 -0.822 -1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.357 -2.264 -1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.477 0.600 -0.438 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.812 -0.121 -0.606 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.437 -3.658 -4.894 1.00 0.00 N ATOM 1326 CA VAL A 90 0.629 -4.556 -5.122 1.00 0.00 C ATOM 1327 C VAL A 90 1.578 -4.393 -3.976 1.00 0.00 C ATOM 1328 O VAL A 90 2.295 -3.415 -3.885 1.00 0.00 O ATOM 1329 CB VAL A 90 1.346 -4.322 -6.462 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.415 -5.377 -6.694 1.00 0.00 C ATOM 1331 CG2 VAL A 90 0.352 -4.305 -7.611 1.00 0.00 C ATOM 0 H VAL A 90 -0.323 -2.730 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 90 0.238 -5.571 -5.185 1.00 0.00 H new ATOM 0 HB VAL A 90 1.833 -3.348 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.909 -5.191 -7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.150 -5.333 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.954 -6.365 -6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.882 -4.138 -8.548 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.170 -5.261 -7.655 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.371 -3.504 -7.455 1.00 0.00 H new ATOM 1341 N ILE A 91 1.407 -5.234 -3.034 1.00 0.00 N ATOM 1342 CA ILE A 91 2.224 -5.326 -1.868 1.00 0.00 C ATOM 1343 C ILE A 91 2.989 -6.643 -1.924 1.00 0.00 C ATOM 1344 O ILE A 91 2.559 -7.583 -2.572 1.00 0.00 O ATOM 1345 CB ILE A 91 1.296 -5.287 -0.637 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.599 -3.925 -0.568 1.00 0.00 C ATOM 1347 CG2 ILE A 91 2.031 -5.601 0.663 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.486 -3.855 0.427 1.00 0.00 C ATOM 0 H ILE A 91 0.653 -5.921 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 91 2.938 -4.504 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 91 0.548 -6.071 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.341 -3.161 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.192 -3.687 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.330 -5.559 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.465 -6.599 0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.824 -4.869 0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.928 -2.859 0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.250 -4.594 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.084 -4.060 1.419 1.00 0.00 H new ATOM 1360 N GLY A 92 4.113 -6.705 -1.291 1.00 0.00 N ATOM 1361 CA GLY A 92 4.842 -7.919 -1.306 1.00 0.00 C ATOM 1362 C GLY A 92 5.058 -8.447 0.079 1.00 0.00 C ATOM 1363 O GLY A 92 5.168 -7.666 1.030 1.00 0.00 O ATOM 0 H GLY A 92 4.538 -5.940 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.305 -8.659 -1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.805 -7.760 -1.790 1.00 0.00 H new ATOM 1367 N ARG A 93 5.140 -9.748 0.210 1.00 0.00 N ATOM 1368 CA ARG A 93 5.363 -10.355 1.497 1.00 0.00 C ATOM 1369 C ARG A 93 6.628 -11.190 1.488 1.00 0.00 C ATOM 1370 O ARG A 93 6.920 -11.896 0.510 1.00 0.00 O ATOM 1371 CB ARG A 93 4.149 -11.189 1.979 1.00 0.00 C ATOM 1372 CG ARG A 93 4.344 -11.861 3.348 1.00 0.00 C ATOM 1373 CD ARG A 93 4.538 -10.840 4.471 1.00 0.00 C ATOM 1374 NE ARG A 93 4.991 -11.473 5.727 1.00 0.00 N ATOM 1375 CZ ARG A 93 5.216 -10.819 6.890 1.00 0.00 C ATOM 1376 NH1 ARG A 93 4.890 -9.535 7.017 1.00 0.00 N ATOM 1377 NH2 ARG A 93 5.732 -11.464 7.927 1.00 0.00 N ATOM 0 H ARG A 93 5.055 -10.408 -0.563 1.00 0.00 H new ATOM 0 HA ARG A 93 5.489 -9.543 2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.274 -10.540 2.027 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.935 -11.958 1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.478 -12.484 3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.210 -12.522 3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.268 -10.093 4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.600 -10.315 4.648 1.00 0.00 H new ATOM 0 HE ARG A 93 5.146 -12.481 5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.467 -9.036 6.234 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.063 -9.050 7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.960 -12.455 7.849 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.901 -10.969 8.803 1.00 0.00 H new ATOM 1391 N GLU A 94 7.384 -11.052 2.545 1.00 0.00 N ATOM 1392 CA GLU A 94 8.576 -11.802 2.755 1.00 0.00 C ATOM 1393 C GLU A 94 8.252 -13.123 3.481 1.00 0.00 C ATOM 1394 O GLU A 94 8.370 -13.205 4.705 1.00 0.00 O ATOM 1395 CB GLU A 94 9.628 -10.920 3.490 1.00 0.00 C ATOM 1396 CG GLU A 94 9.089 -10.125 4.697 1.00 0.00 C ATOM 1397 CD GLU A 94 10.113 -9.176 5.291 1.00 0.00 C ATOM 1398 OE1 GLU A 94 10.365 -8.104 4.698 1.00 0.00 O ATOM 1399 OE2 GLU A 94 10.673 -9.468 6.371 1.00 0.00 O ATOM 0 H GLU A 94 7.175 -10.396 3.298 1.00 0.00 H new ATOM 0 HA GLU A 94 9.022 -12.085 1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.441 -11.561 3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.054 -10.218 2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.212 -9.556 4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.760 -10.823 5.467 1.00 0.00 H new TER 1406 GLU A 94