USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 544 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD Set 1.1: A 101 SER OG : rot 114:sc= 0.219 USER MOD Set 1.2: A 103 SER OG : rot 180:sc= 0.485 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -5.07! C(o=-5.1!,f=-5.2!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -0.245 K(o=-0.24,f=-1.7) USER MOD Single : A 115 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.232) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.475 USER MOD Single : A 123 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.33) USER MOD Single : A 124 MET CE :methyl 151:sc= -1.05 (180deg=-4.37!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.0413 K(o=-0.041,f=-1.1!) USER MOD Single : A 137 ASN : amide:sc= -0.783 K(o=-0.78,f=-4.8!) USER MOD Single : A 138 TYR OH : rot 62:sc= -2.19! USER MOD Single : A 143 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0662) USER MOD Single : A 144 MET CE :methyl -112:sc= -0.0172 (180deg=-0.0342) USER MOD Single : A 145 MET CE :methyl -132:sc= -0.261 (180deg=-2.12!) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 THR OG1 : rot 0:sc= -0.27 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -18.790 -7.659 4.906 1.00 0.00 N ATOM 2 CA ASP A 80 -17.524 -8.261 5.407 1.00 0.00 C ATOM 3 C ASP A 80 -16.335 -7.689 4.643 1.00 0.00 C ATOM 4 O ASP A 80 -15.326 -7.318 5.243 1.00 0.00 O ATOM 5 CB ASP A 80 -17.578 -9.778 5.228 1.00 0.00 C ATOM 6 CG ASP A 80 -18.545 -10.390 6.238 1.00 0.00 C ATOM 7 OD1 ASP A 80 -18.897 -9.702 7.183 1.00 0.00 O ATOM 8 OD2 ASP A 80 -18.920 -11.536 6.051 1.00 0.00 O ATOM 0 HA ASP A 80 -17.407 -8.025 6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -17.896 -10.021 4.214 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -16.583 -10.204 5.361 1.00 0.00 H new ATOM 15 N ALA A 81 -16.450 -7.619 3.322 1.00 0.00 N ATOM 16 CA ALA A 81 -15.360 -7.088 2.514 1.00 0.00 C ATOM 17 C ALA A 81 -14.997 -5.687 2.988 1.00 0.00 C ATOM 18 O ALA A 81 -13.825 -5.375 3.187 1.00 0.00 O ATOM 19 CB ALA A 81 -15.762 -7.050 1.037 1.00 0.00 C ATOM 0 H ALA A 81 -17.271 -7.917 2.796 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.493 -7.739 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.938 -6.651 0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -15.997 -8.059 0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -16.638 -6.413 0.915 1.00 0.00 H new ATOM 25 N GLU A 82 -16.007 -4.844 3.168 1.00 0.00 N ATOM 26 CA GLU A 82 -15.766 -3.482 3.614 1.00 0.00 C ATOM 27 C GLU A 82 -15.199 -3.474 5.030 1.00 0.00 C ATOM 28 O GLU A 82 -14.312 -2.685 5.352 1.00 0.00 O ATOM 29 CB GLU A 82 -17.074 -2.671 3.564 1.00 0.00 C ATOM 30 CG GLU A 82 -16.745 -1.195 3.339 1.00 0.00 C ATOM 31 CD GLU A 82 -15.807 -0.706 4.439 1.00 0.00 C ATOM 32 OE1 GLU A 82 -16.220 -0.710 5.588 1.00 0.00 O ATOM 33 OE2 GLU A 82 -14.690 -0.337 4.117 1.00 0.00 O ATOM 0 H GLU A 82 -16.988 -5.078 3.014 1.00 0.00 H new ATOM 0 HA GLU A 82 -15.037 -3.023 2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.713 -3.039 2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.628 -2.794 4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.279 -1.061 2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -17.661 -0.604 3.339 1.00 0.00 H new ATOM 40 N GLU A 83 -15.707 -4.367 5.871 1.00 0.00 N ATOM 41 CA GLU A 83 -15.216 -4.448 7.238 1.00 0.00 C ATOM 42 C GLU A 83 -13.753 -4.866 7.216 1.00 0.00 C ATOM 43 O GLU A 83 -12.862 -4.065 7.501 1.00 0.00 O ATOM 44 CB GLU A 83 -16.042 -5.450 8.048 1.00 0.00 C ATOM 45 CG GLU A 83 -17.457 -4.902 8.246 1.00 0.00 C ATOM 46 CD GLU A 83 -18.315 -5.931 8.971 1.00 0.00 C ATOM 47 OE1 GLU A 83 -17.809 -7.006 9.246 1.00 0.00 O ATOM 48 OE2 GLU A 83 -19.467 -5.632 9.238 1.00 0.00 O ATOM 0 H GLU A 83 -16.444 -5.032 5.636 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.310 -3.471 7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.081 -6.408 7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.571 -5.629 9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.421 -3.976 8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.901 -4.661 7.280 1.00 0.00 H new ATOM 55 N GLU A 84 -13.504 -6.126 6.875 1.00 0.00 N ATOM 56 CA GLU A 84 -12.138 -6.630 6.819 1.00 0.00 C ATOM 57 C GLU A 84 -11.223 -5.624 6.131 1.00 0.00 C ATOM 58 O GLU A 84 -10.072 -5.457 6.529 1.00 0.00 O ATOM 59 CB GLU A 84 -12.097 -7.968 6.070 1.00 0.00 C ATOM 60 CG GLU A 84 -12.861 -9.029 6.868 1.00 0.00 C ATOM 61 CD GLU A 84 -12.150 -9.305 8.190 1.00 0.00 C ATOM 62 OE1 GLU A 84 -10.968 -9.017 8.273 1.00 0.00 O ATOM 63 OE2 GLU A 84 -12.799 -9.795 9.098 1.00 0.00 O ATOM 0 H GLU A 84 -14.222 -6.810 6.636 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.787 -6.781 7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.539 -7.855 5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.064 -8.283 5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.879 -8.689 7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.935 -9.948 6.287 1.00 0.00 H new ATOM 70 N LEU A 85 -11.731 -4.949 5.102 1.00 0.00 N ATOM 71 CA LEU A 85 -10.919 -3.971 4.393 1.00 0.00 C ATOM 72 C LEU A 85 -10.480 -2.864 5.346 1.00 0.00 C ATOM 73 O LEU A 85 -9.323 -2.447 5.334 1.00 0.00 O ATOM 74 CB LEU A 85 -11.713 -3.372 3.218 1.00 0.00 C ATOM 75 CG LEU A 85 -10.898 -2.253 2.548 1.00 0.00 C ATOM 76 CD1 LEU A 85 -9.549 -2.810 2.063 1.00 0.00 C ATOM 77 CD2 LEU A 85 -11.682 -1.674 1.361 1.00 0.00 C ATOM 0 H LEU A 85 -12.681 -5.059 4.748 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.033 -4.470 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.944 -4.150 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.664 -2.977 3.575 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.716 -1.460 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.976 -2.013 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.991 -3.203 2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.723 -3.609 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.099 -0.882 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.876 -2.462 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.629 -1.266 1.715 1.00 0.00 H new ATOM 89 N LYS A 86 -11.402 -2.386 6.171 1.00 0.00 N ATOM 90 CA LYS A 86 -11.071 -1.326 7.115 1.00 0.00 C ATOM 91 C LYS A 86 -10.005 -1.799 8.091 1.00 0.00 C ATOM 92 O LYS A 86 -9.096 -1.048 8.446 1.00 0.00 O ATOM 93 CB LYS A 86 -12.328 -0.893 7.877 1.00 0.00 C ATOM 94 CG LYS A 86 -13.264 -0.095 6.950 1.00 0.00 C ATOM 95 CD LYS A 86 -12.840 1.381 6.917 1.00 0.00 C ATOM 96 CE LYS A 86 -13.793 2.167 6.025 1.00 0.00 C ATOM 97 NZ LYS A 86 -13.387 3.601 6.019 1.00 0.00 N ATOM 0 H LYS A 86 -12.369 -2.708 6.207 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.680 -0.473 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.848 -1.770 8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.049 -0.283 8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.235 -0.513 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.293 -0.178 7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.846 1.794 7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.820 1.469 6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.775 1.767 5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.816 2.068 6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.034 4.143 5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.426 3.977 6.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.417 3.686 5.653 1.00 0.00 H new ATOM 111 N GLU A 87 -10.114 -3.049 8.513 1.00 0.00 N ATOM 112 CA GLU A 87 -9.138 -3.603 9.441 1.00 0.00 C ATOM 113 C GLU A 87 -7.798 -3.804 8.732 1.00 0.00 C ATOM 114 O GLU A 87 -6.757 -3.401 9.228 1.00 0.00 O ATOM 115 CB GLU A 87 -9.634 -4.939 9.992 1.00 0.00 C ATOM 116 CG GLU A 87 -8.755 -5.365 11.172 1.00 0.00 C ATOM 117 CD GLU A 87 -9.037 -4.476 12.381 1.00 0.00 C ATOM 118 OE1 GLU A 87 -9.965 -3.687 12.310 1.00 0.00 O ATOM 119 OE2 GLU A 87 -8.322 -4.600 13.362 1.00 0.00 O ATOM 0 H GLU A 87 -10.856 -3.691 8.234 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.006 -2.905 10.267 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.672 -4.849 10.312 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.606 -5.699 9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.950 -6.408 11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.703 -5.295 10.896 1.00 0.00 H new ATOM 126 N ALA A 88 -7.827 -4.425 7.569 1.00 0.00 N ATOM 127 CA ALA A 88 -6.590 -4.655 6.826 1.00 0.00 C ATOM 128 C ALA A 88 -5.861 -3.337 6.588 1.00 0.00 C ATOM 129 O ALA A 88 -4.658 -3.224 6.823 1.00 0.00 O ATOM 130 CB ALA A 88 -6.900 -5.321 5.488 1.00 0.00 C ATOM 0 H ALA A 88 -8.673 -4.776 7.120 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.949 -5.312 7.414 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.972 -5.488 4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.395 -6.276 5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.554 -4.675 4.903 1.00 0.00 H new ATOM 136 N PHE A 89 -6.591 -2.334 6.124 1.00 0.00 N ATOM 137 CA PHE A 89 -5.990 -1.031 5.865 1.00 0.00 C ATOM 138 C PHE A 89 -5.331 -0.487 7.124 1.00 0.00 C ATOM 139 O PHE A 89 -4.214 0.020 7.079 1.00 0.00 O ATOM 140 CB PHE A 89 -7.058 -0.047 5.388 1.00 0.00 C ATOM 141 CG PHE A 89 -6.437 1.314 5.164 1.00 0.00 C ATOM 142 CD1 PHE A 89 -6.334 2.219 6.228 1.00 0.00 C ATOM 143 CD2 PHE A 89 -5.977 1.676 3.894 1.00 0.00 C ATOM 144 CE1 PHE A 89 -5.768 3.483 6.020 1.00 0.00 C ATOM 145 CE2 PHE A 89 -5.417 2.939 3.684 1.00 0.00 C ATOM 146 CZ PHE A 89 -5.311 3.843 4.747 1.00 0.00 C ATOM 0 H PHE A 89 -7.589 -2.393 5.921 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.232 -1.151 5.091 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.511 -0.407 4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.856 0.024 6.127 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.691 1.942 7.209 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.055 0.978 3.074 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.684 4.179 6.841 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.066 3.217 2.701 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.877 4.818 4.585 1.00 0.00 H new ATOM 156 N LYS A 90 -6.026 -0.587 8.246 1.00 0.00 N ATOM 157 CA LYS A 90 -5.475 -0.091 9.500 1.00 0.00 C ATOM 158 C LYS A 90 -4.167 -0.805 9.850 1.00 0.00 C ATOM 159 O LYS A 90 -3.292 -0.247 10.522 1.00 0.00 O ATOM 160 CB LYS A 90 -6.533 -0.267 10.626 1.00 0.00 C ATOM 161 CG LYS A 90 -6.334 -1.590 11.423 1.00 0.00 C ATOM 162 CD LYS A 90 -5.536 -1.312 12.690 1.00 0.00 C ATOM 163 CE LYS A 90 -5.318 -2.617 13.438 1.00 0.00 C ATOM 164 NZ LYS A 90 -4.525 -2.346 14.665 1.00 0.00 N ATOM 0 H LYS A 90 -6.956 -0.999 8.317 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.240 0.968 9.394 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.476 0.579 11.311 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.531 -0.256 10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.302 -2.021 11.679 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.812 -2.322 10.807 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.577 -0.858 12.438 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.069 -0.601 13.322 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.276 -3.065 13.701 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.796 -3.332 12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.372 -3.235 15.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.606 -1.936 14.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.041 -1.677 15.271 1.00 0.00 H new ATOM 178 N VAL A 91 -4.044 -2.060 9.411 1.00 0.00 N ATOM 179 CA VAL A 91 -2.849 -2.836 9.705 1.00 0.00 C ATOM 180 C VAL A 91 -1.663 -2.295 8.920 1.00 0.00 C ATOM 181 O VAL A 91 -0.587 -2.088 9.472 1.00 0.00 O ATOM 182 CB VAL A 91 -3.079 -4.326 9.393 1.00 0.00 C ATOM 183 CG1 VAL A 91 -1.748 -5.078 9.449 1.00 0.00 C ATOM 184 CG2 VAL A 91 -4.038 -4.927 10.431 1.00 0.00 C ATOM 0 H VAL A 91 -4.748 -2.550 8.859 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.628 -2.745 10.768 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.509 -4.418 8.396 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.916 -6.132 9.228 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.061 -4.658 8.714 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.317 -4.981 10.445 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.200 -5.982 10.209 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.605 -4.828 11.426 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.991 -4.398 10.395 1.00 0.00 H new ATOM 194 N PHE A 92 -1.883 -2.056 7.637 1.00 0.00 N ATOM 195 CA PHE A 92 -0.823 -1.520 6.784 1.00 0.00 C ATOM 196 C PHE A 92 -0.407 -0.143 7.266 1.00 0.00 C ATOM 197 O PHE A 92 0.747 0.252 7.109 1.00 0.00 O ATOM 198 CB PHE A 92 -1.278 -1.426 5.321 1.00 0.00 C ATOM 199 CG PHE A 92 -2.032 -2.676 4.923 1.00 0.00 C ATOM 200 CD1 PHE A 92 -1.629 -3.937 5.391 1.00 0.00 C ATOM 201 CD2 PHE A 92 -3.149 -2.569 4.086 1.00 0.00 C ATOM 202 CE1 PHE A 92 -2.337 -5.076 5.023 1.00 0.00 C ATOM 203 CE2 PHE A 92 -3.860 -3.717 3.719 1.00 0.00 C ATOM 204 CZ PHE A 92 -3.452 -4.971 4.189 1.00 0.00 C ATOM 0 H PHE A 92 -2.772 -2.220 7.164 1.00 0.00 H new ATOM 0 HA PHE A 92 0.024 -2.203 6.843 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.914 -0.551 5.187 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.412 -1.293 4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.768 -4.022 6.038 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.462 -1.601 3.724 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.024 -6.045 5.383 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.722 -3.636 3.074 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.000 -5.858 3.906 1.00 0.00 H new ATOM 214 N ASP A 93 -1.347 0.586 7.842 1.00 0.00 N ATOM 215 CA ASP A 93 -1.054 1.926 8.327 1.00 0.00 C ATOM 216 C ASP A 93 -0.193 1.870 9.588 1.00 0.00 C ATOM 217 O ASP A 93 -0.644 2.232 10.674 1.00 0.00 O ATOM 218 CB ASP A 93 -2.362 2.664 8.626 1.00 0.00 C ATOM 219 CG ASP A 93 -2.131 4.169 8.605 1.00 0.00 C ATOM 220 OD1 ASP A 93 -0.983 4.577 8.690 1.00 0.00 O ATOM 221 OD2 ASP A 93 -3.105 4.891 8.502 1.00 0.00 O ATOM 0 H ASP A 93 -2.309 0.279 7.985 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.501 2.461 7.555 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.118 2.394 7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.745 2.361 9.600 1.00 0.00 H new ATOM 226 N LYS A 94 1.042 1.407 9.443 1.00 0.00 N ATOM 227 CA LYS A 94 1.932 1.306 10.597 1.00 0.00 C ATOM 228 C LYS A 94 1.979 2.639 11.338 1.00 0.00 C ATOM 229 O LYS A 94 1.855 2.680 12.563 1.00 0.00 O ATOM 230 CB LYS A 94 3.348 0.915 10.142 1.00 0.00 C ATOM 231 CG LYS A 94 4.125 0.308 11.314 1.00 0.00 C ATOM 232 CD LYS A 94 5.492 -0.171 10.825 1.00 0.00 C ATOM 233 CE LYS A 94 6.265 -0.787 11.991 1.00 0.00 C ATOM 234 NZ LYS A 94 7.593 -1.262 11.511 1.00 0.00 N ATOM 0 H LYS A 94 1.446 1.101 8.558 1.00 0.00 H new ATOM 0 HA LYS A 94 1.549 0.537 11.268 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.291 0.198 9.323 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.872 1.792 9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.248 1.048 12.105 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.567 -0.525 11.742 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.368 -0.905 10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.052 0.664 10.404 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.395 -0.051 12.784 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.702 -1.618 12.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.119 -1.681 12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.458 -1.977 10.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.130 -0.459 11.125 1.00 0.00 H new ATOM 248 N ASP A 95 2.162 3.727 10.599 1.00 0.00 N ATOM 249 CA ASP A 95 2.230 5.050 11.212 1.00 0.00 C ATOM 250 C ASP A 95 0.843 5.485 11.672 1.00 0.00 C ATOM 251 O ASP A 95 0.685 6.525 12.309 1.00 0.00 O ATOM 252 CB ASP A 95 2.764 6.073 10.205 1.00 0.00 C ATOM 253 CG ASP A 95 3.903 5.465 9.396 1.00 0.00 C ATOM 254 OD1 ASP A 95 4.904 5.106 9.995 1.00 0.00 O ATOM 255 OD2 ASP A 95 3.753 5.365 8.188 1.00 0.00 O ATOM 0 H ASP A 95 2.265 3.721 9.584 1.00 0.00 H new ATOM 0 HA ASP A 95 2.901 4.998 12.069 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.963 6.391 9.538 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.114 6.962 10.729 1.00 0.00 H new ATOM 260 N GLN A 96 -0.160 4.687 11.334 1.00 0.00 N ATOM 261 CA GLN A 96 -1.532 5.006 11.712 1.00 0.00 C ATOM 262 C GLN A 96 -1.854 6.451 11.327 1.00 0.00 C ATOM 263 O GLN A 96 -2.604 7.135 12.014 1.00 0.00 O ATOM 264 CB GLN A 96 -1.715 4.824 13.225 1.00 0.00 C ATOM 265 CG GLN A 96 -3.210 4.733 13.569 1.00 0.00 C ATOM 266 CD GLN A 96 -3.387 4.557 15.071 1.00 0.00 C ATOM 267 OE1 GLN A 96 -2.595 5.078 15.855 1.00 0.00 O ATOM 268 NE2 GLN A 96 -4.391 3.858 15.520 1.00 0.00 N ATOM 0 H GLN A 96 -0.053 3.822 10.804 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.209 4.333 11.186 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.202 3.921 13.555 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.262 5.660 13.757 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.724 5.635 13.237 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.663 3.895 13.040 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.045 3.428 14.867 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.522 3.741 16.525 1.00 0.00 H new ATOM 277 N ASN A 97 -1.269 6.927 10.233 1.00 0.00 N ATOM 278 CA ASN A 97 -1.503 8.306 9.797 1.00 0.00 C ATOM 279 C ASN A 97 -2.691 8.386 8.842 1.00 0.00 C ATOM 280 O ASN A 97 -3.000 9.455 8.319 1.00 0.00 O ATOM 281 CB ASN A 97 -0.259 8.850 9.099 1.00 0.00 C ATOM 282 CG ASN A 97 0.035 8.019 7.856 1.00 0.00 C ATOM 283 OD1 ASN A 97 -0.538 6.945 7.678 1.00 0.00 O ATOM 284 ND2 ASN A 97 0.897 8.454 6.980 1.00 0.00 N ATOM 0 H ASN A 97 -0.638 6.391 9.637 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.724 8.905 10.680 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.412 9.893 8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.593 8.821 9.778 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.097 7.904 6.145 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.371 9.345 7.130 1.00 0.00 H new ATOM 291 N GLY A 98 -3.360 7.259 8.622 1.00 0.00 N ATOM 292 CA GLY A 98 -4.518 7.229 7.732 1.00 0.00 C ATOM 293 C GLY A 98 -4.095 7.089 6.271 1.00 0.00 C ATOM 294 O GLY A 98 -4.936 7.038 5.376 1.00 0.00 O ATOM 0 H GLY A 98 -3.124 6.361 9.043 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.167 6.397 8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.099 8.142 7.858 1.00 0.00 H new ATOM 298 N TYR A 99 -2.786 7.026 6.037 1.00 0.00 N ATOM 299 CA TYR A 99 -2.251 6.892 4.676 1.00 0.00 C ATOM 300 C TYR A 99 -1.183 5.805 4.632 1.00 0.00 C ATOM 301 O TYR A 99 -0.346 5.721 5.526 1.00 0.00 O ATOM 302 CB TYR A 99 -1.627 8.220 4.234 1.00 0.00 C ATOM 303 CG TYR A 99 -2.722 9.196 3.888 1.00 0.00 C ATOM 304 CD1 TYR A 99 -3.423 9.852 4.904 1.00 0.00 C ATOM 305 CD2 TYR A 99 -3.041 9.433 2.551 1.00 0.00 C ATOM 306 CE1 TYR A 99 -4.445 10.750 4.580 1.00 0.00 C ATOM 307 CE2 TYR A 99 -4.062 10.332 2.224 1.00 0.00 C ATOM 308 CZ TYR A 99 -4.766 10.991 3.239 1.00 0.00 C ATOM 309 OH TYR A 99 -5.774 11.878 2.917 1.00 0.00 O ATOM 0 H TYR A 99 -2.075 7.065 6.767 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.068 6.623 4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -1.003 8.624 5.031 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.980 8.061 3.371 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.176 9.665 5.939 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.500 8.923 1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.987 11.258 5.364 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.307 10.518 1.189 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.866 11.929 1.943 1.00 0.00 H new ATOM 319 N ILE A 100 -1.194 4.977 3.588 1.00 0.00 N ATOM 320 CA ILE A 100 -0.184 3.924 3.466 1.00 0.00 C ATOM 321 C ILE A 100 1.008 4.469 2.684 1.00 0.00 C ATOM 322 O ILE A 100 0.848 5.008 1.580 1.00 0.00 O ATOM 323 CB ILE A 100 -0.748 2.692 2.747 1.00 0.00 C ATOM 324 CG1 ILE A 100 -2.130 2.333 3.317 1.00 0.00 C ATOM 325 CG2 ILE A 100 0.210 1.515 2.955 1.00 0.00 C ATOM 326 CD1 ILE A 100 -2.671 1.096 2.596 1.00 0.00 C ATOM 0 H ILE A 100 -1.875 5.011 2.829 1.00 0.00 H new ATOM 0 HA ILE A 100 0.124 3.620 4.466 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.851 2.909 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.055 2.140 4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.816 3.170 3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.181 0.633 2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.188 1.765 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.306 1.308 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.651 0.840 2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.760 1.306 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.988 0.260 2.745 1.00 0.00 H new ATOM 338 N SER A 101 2.203 4.340 3.269 1.00 0.00 N ATOM 339 CA SER A 101 3.425 4.834 2.626 1.00 0.00 C ATOM 340 C SER A 101 4.165 3.698 1.924 1.00 0.00 C ATOM 341 O SER A 101 3.952 2.526 2.234 1.00 0.00 O ATOM 342 CB SER A 101 4.341 5.471 3.672 1.00 0.00 C ATOM 343 OG SER A 101 4.519 4.566 4.753 1.00 0.00 O ATOM 0 H SER A 101 2.350 3.902 4.178 1.00 0.00 H new ATOM 0 HA SER A 101 3.144 5.580 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.305 5.718 3.226 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.908 6.404 4.031 1.00 0.00 H new ATOM 0 HG SER A 101 5.453 4.272 4.783 1.00 0.00 H new ATOM 349 N ALA A 102 5.027 4.047 0.978 1.00 0.00 N ATOM 350 CA ALA A 102 5.778 3.029 0.252 1.00 0.00 C ATOM 351 C ALA A 102 6.504 2.122 1.239 1.00 0.00 C ATOM 352 O ALA A 102 6.530 0.906 1.064 1.00 0.00 O ATOM 353 CB ALA A 102 6.786 3.678 -0.701 1.00 0.00 C ATOM 0 H ALA A 102 5.222 5.008 0.698 1.00 0.00 H new ATOM 0 HA ALA A 102 5.080 2.435 -0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.336 2.902 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.257 4.304 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.484 4.291 -0.130 1.00 0.00 H new ATOM 359 N SER A 103 7.090 2.714 2.280 1.00 0.00 N ATOM 360 CA SER A 103 7.809 1.931 3.287 1.00 0.00 C ATOM 361 C SER A 103 6.871 0.899 3.930 1.00 0.00 C ATOM 362 O SER A 103 7.259 -0.245 4.181 1.00 0.00 O ATOM 363 CB SER A 103 8.385 2.859 4.355 1.00 0.00 C ATOM 364 OG SER A 103 7.331 3.597 4.959 1.00 0.00 O ATOM 0 H SER A 103 7.082 3.720 2.448 1.00 0.00 H new ATOM 0 HA SER A 103 8.628 1.400 2.801 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.915 2.278 5.109 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.110 3.539 3.908 1.00 0.00 H new ATOM 0 HG SER A 103 7.699 4.192 5.645 1.00 0.00 H new ATOM 370 N GLU A 104 5.638 1.298 4.202 1.00 0.00 N ATOM 371 CA GLU A 104 4.683 0.386 4.787 1.00 0.00 C ATOM 372 C GLU A 104 4.211 -0.641 3.754 1.00 0.00 C ATOM 373 O GLU A 104 4.041 -1.814 4.073 1.00 0.00 O ATOM 374 CB GLU A 104 3.495 1.169 5.326 1.00 0.00 C ATOM 375 CG GLU A 104 3.923 1.976 6.547 1.00 0.00 C ATOM 376 CD GLU A 104 2.706 2.657 7.161 1.00 0.00 C ATOM 377 OE1 GLU A 104 1.654 2.618 6.543 1.00 0.00 O ATOM 378 OE2 GLU A 104 2.835 3.198 8.245 1.00 0.00 O ATOM 0 H GLU A 104 5.283 2.238 4.027 1.00 0.00 H new ATOM 0 HA GLU A 104 5.165 -0.150 5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.106 1.835 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.688 0.486 5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.395 1.322 7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.664 2.722 6.261 1.00 0.00 H new ATOM 385 N LEU A 105 3.995 -0.193 2.518 1.00 0.00 N ATOM 386 CA LEU A 105 3.535 -1.094 1.454 1.00 0.00 C ATOM 387 C LEU A 105 4.557 -2.189 1.176 1.00 0.00 C ATOM 388 O LEU A 105 4.206 -3.362 1.044 1.00 0.00 O ATOM 389 CB LEU A 105 3.272 -0.295 0.165 1.00 0.00 C ATOM 390 CG LEU A 105 2.879 -1.242 -0.989 1.00 0.00 C ATOM 391 CD1 LEU A 105 1.682 -2.112 -0.579 1.00 0.00 C ATOM 392 CD2 LEU A 105 2.507 -0.413 -2.224 1.00 0.00 C ATOM 0 H LEU A 105 4.128 0.776 2.227 1.00 0.00 H new ATOM 0 HA LEU A 105 2.611 -1.564 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.476 0.430 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.164 0.270 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 105 3.725 -1.890 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.415 -2.775 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.947 -2.707 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.833 -1.472 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.229 -1.080 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.666 0.238 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.361 0.193 -2.526 1.00 0.00 H new ATOM 404 N ARG A 106 5.824 -1.803 1.102 1.00 0.00 N ATOM 405 CA ARG A 106 6.882 -2.777 0.848 1.00 0.00 C ATOM 406 C ARG A 106 6.981 -3.759 2.011 1.00 0.00 C ATOM 407 O ARG A 106 7.114 -4.965 1.803 1.00 0.00 O ATOM 408 CB ARG A 106 8.219 -2.067 0.609 1.00 0.00 C ATOM 409 CG ARG A 106 8.641 -1.344 1.874 1.00 0.00 C ATOM 410 CD ARG A 106 9.916 -0.551 1.630 1.00 0.00 C ATOM 411 NE ARG A 106 9.642 0.593 0.774 1.00 0.00 N ATOM 412 CZ ARG A 106 10.617 1.408 0.408 1.00 0.00 C ATOM 413 NH1 ARG A 106 11.838 1.176 0.809 1.00 0.00 N ATOM 414 NH2 ARG A 106 10.360 2.439 -0.349 1.00 0.00 N ATOM 0 H ARG A 106 6.143 -0.840 1.212 1.00 0.00 H new ATOM 0 HA ARG A 106 6.636 -3.339 -0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.981 -2.791 0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.125 -1.358 -0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.845 -0.674 2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.801 -2.064 2.676 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.329 -0.212 2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.667 -1.190 1.165 1.00 0.00 H new ATOM 0 HE ARG A 106 8.690 0.768 0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.036 0.370 1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.594 1.801 0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.405 2.618 -0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.114 3.066 -0.630 1.00 0.00 H new ATOM 428 N HIS A 107 6.918 -3.248 3.241 1.00 0.00 N ATOM 429 CA HIS A 107 7.011 -4.113 4.404 1.00 0.00 C ATOM 430 C HIS A 107 5.913 -5.166 4.353 1.00 0.00 C ATOM 431 O HIS A 107 6.160 -6.346 4.598 1.00 0.00 O ATOM 432 CB HIS A 107 6.871 -3.280 5.676 1.00 0.00 C ATOM 433 CG HIS A 107 7.978 -2.267 5.739 1.00 0.00 C ATOM 434 ND1 HIS A 107 7.830 -1.063 6.405 1.00 0.00 N ATOM 435 CD2 HIS A 107 9.252 -2.259 5.225 1.00 0.00 C ATOM 436 CE1 HIS A 107 8.989 -0.383 6.277 1.00 0.00 C ATOM 437 NE2 HIS A 107 9.888 -1.071 5.565 1.00 0.00 N ATOM 0 H HIS A 107 6.805 -2.256 3.450 1.00 0.00 H new ATOM 0 HA HIS A 107 7.981 -4.610 4.405 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.904 -2.778 5.689 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.906 -3.927 6.552 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.693 -3.056 4.644 1.00 0.00 H new ATOM 0 HE1 HIS A 107 9.168 0.596 6.698 1.00 0.00 H new ATOM 0 HE2 HIS A 107 10.837 -0.785 5.323 1.00 0.00 H new ATOM 446 N VAL A 108 4.702 -4.735 4.021 1.00 0.00 N ATOM 447 CA VAL A 108 3.580 -5.657 3.927 1.00 0.00 C ATOM 448 C VAL A 108 3.797 -6.638 2.780 1.00 0.00 C ATOM 449 O VAL A 108 3.543 -7.834 2.921 1.00 0.00 O ATOM 450 CB VAL A 108 2.275 -4.883 3.719 1.00 0.00 C ATOM 451 CG1 VAL A 108 1.112 -5.874 3.588 1.00 0.00 C ATOM 452 CG2 VAL A 108 2.033 -3.958 4.923 1.00 0.00 C ATOM 0 H VAL A 108 4.474 -3.762 3.814 1.00 0.00 H new ATOM 0 HA VAL A 108 3.511 -6.218 4.859 1.00 0.00 H new ATOM 0 HB VAL A 108 2.344 -4.284 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.182 -5.326 3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.287 -6.529 2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.040 -6.472 4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.104 -3.406 4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.961 -4.555 5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.862 -3.256 5.015 1.00 0.00 H new ATOM 462 N MET A 109 4.271 -6.132 1.643 1.00 0.00 N ATOM 463 CA MET A 109 4.512 -6.994 0.492 1.00 0.00 C ATOM 464 C MET A 109 5.580 -8.035 0.822 1.00 0.00 C ATOM 465 O MET A 109 5.434 -9.208 0.484 1.00 0.00 O ATOM 466 CB MET A 109 4.963 -6.148 -0.702 1.00 0.00 C ATOM 467 CG MET A 109 3.761 -5.420 -1.305 1.00 0.00 C ATOM 468 SD MET A 109 2.674 -6.620 -2.121 1.00 0.00 S ATOM 469 CE MET A 109 2.522 -5.768 -3.712 1.00 0.00 C ATOM 0 H MET A 109 4.492 -5.147 1.496 1.00 0.00 H new ATOM 0 HA MET A 109 3.586 -7.511 0.240 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.715 -5.426 -0.384 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.429 -6.784 -1.454 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.215 -4.890 -0.525 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.098 -4.672 -2.023 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.882 -6.349 -4.376 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.084 -4.782 -3.556 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.509 -5.660 -4.163 1.00 0.00 H new ATOM 479 N ILE A 110 6.650 -7.609 1.489 1.00 0.00 N ATOM 480 CA ILE A 110 7.714 -8.539 1.853 1.00 0.00 C ATOM 481 C ILE A 110 7.169 -9.597 2.806 1.00 0.00 C ATOM 482 O ILE A 110 7.438 -10.786 2.649 1.00 0.00 O ATOM 483 CB ILE A 110 8.873 -7.782 2.510 1.00 0.00 C ATOM 484 CG1 ILE A 110 9.554 -6.891 1.467 1.00 0.00 C ATOM 485 CG2 ILE A 110 9.893 -8.778 3.065 1.00 0.00 C ATOM 486 CD1 ILE A 110 10.508 -5.923 2.168 1.00 0.00 C ATOM 0 H ILE A 110 6.802 -6.644 1.784 1.00 0.00 H new ATOM 0 HA ILE A 110 8.084 -9.029 0.952 1.00 0.00 H new ATOM 0 HB ILE A 110 8.486 -7.168 3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.102 -7.504 0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 110 8.805 -6.335 0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.715 -8.235 3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.412 -9.416 3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.279 -9.394 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 110 10.993 -5.289 1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 110 9.947 -5.301 2.866 1.00 0.00 H new ATOM 0 HD13 ILE A 110 11.265 -6.488 2.712 1.00 0.00 H new ATOM 498 N ASN A 111 6.395 -9.156 3.790 1.00 0.00 N ATOM 499 CA ASN A 111 5.812 -10.082 4.754 1.00 0.00 C ATOM 500 C ASN A 111 4.910 -11.070 4.035 1.00 0.00 C ATOM 501 O ASN A 111 4.734 -12.204 4.480 1.00 0.00 O ATOM 502 CB ASN A 111 5.013 -9.318 5.815 1.00 0.00 C ATOM 503 CG ASN A 111 4.308 -10.298 6.751 1.00 0.00 C ATOM 504 OD1 ASN A 111 4.813 -11.393 6.997 1.00 0.00 O ATOM 505 ND2 ASN A 111 3.168 -9.967 7.294 1.00 0.00 N ATOM 0 H ASN A 111 6.158 -8.175 3.941 1.00 0.00 H new ATOM 0 HA ASN A 111 6.616 -10.625 5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.679 -8.672 6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.279 -8.672 5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.695 -10.616 7.923 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.750 -9.059 7.090 1.00 0.00 H new ATOM 512 N LEU A 112 4.340 -10.636 2.915 1.00 0.00 N ATOM 513 CA LEU A 112 3.450 -11.502 2.143 1.00 0.00 C ATOM 514 C LEU A 112 4.243 -12.433 1.237 1.00 0.00 C ATOM 515 O LEU A 112 3.673 -13.261 0.530 1.00 0.00 O ATOM 516 CB LEU A 112 2.484 -10.646 1.294 1.00 0.00 C ATOM 517 CG LEU A 112 1.024 -11.107 1.503 1.00 0.00 C ATOM 518 CD1 LEU A 112 0.867 -12.575 1.051 1.00 0.00 C ATOM 519 CD2 LEU A 112 0.631 -10.956 2.997 1.00 0.00 C ATOM 0 H LEU A 112 4.474 -9.703 2.524 1.00 0.00 H new ATOM 0 HA LEU A 112 2.877 -12.109 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.583 -9.596 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.749 -10.726 0.240 1.00 0.00 H new ATOM 0 HG LEU A 112 0.361 -10.484 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.165 -12.894 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.123 -12.660 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.532 -13.209 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.399 -11.283 3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.292 -11.568 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.724 -9.911 3.294 1.00 0.00 H new ATOM 531 N GLY A 113 5.551 -12.292 1.261 1.00 0.00 N ATOM 532 CA GLY A 113 6.407 -13.133 0.427 1.00 0.00 C ATOM 533 C GLY A 113 6.601 -12.514 -0.953 1.00 0.00 C ATOM 534 O GLY A 113 7.090 -13.166 -1.875 1.00 0.00 O ATOM 0 H GLY A 113 6.048 -11.614 1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.375 -13.265 0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.963 -14.123 0.326 1.00 0.00 H new ATOM 538 N GLU A 114 6.221 -11.242 -1.087 1.00 0.00 N ATOM 539 CA GLU A 114 6.363 -10.519 -2.356 1.00 0.00 C ATOM 540 C GLU A 114 7.342 -9.360 -2.186 1.00 0.00 C ATOM 541 O GLU A 114 7.197 -8.545 -1.276 1.00 0.00 O ATOM 542 CB GLU A 114 5.005 -9.966 -2.800 1.00 0.00 C ATOM 543 CG GLU A 114 4.078 -11.115 -3.204 1.00 0.00 C ATOM 544 CD GLU A 114 2.695 -10.569 -3.541 1.00 0.00 C ATOM 545 OE1 GLU A 114 2.546 -9.357 -3.555 1.00 0.00 O ATOM 546 OE2 GLU A 114 1.804 -11.367 -3.777 1.00 0.00 O ATOM 0 H GLU A 114 5.812 -10.690 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 114 6.739 -11.209 -3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.555 -9.392 -1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.138 -9.283 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.491 -11.642 -4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.005 -11.839 -2.392 1.00 0.00 H new ATOM 553 N LYS A 115 8.345 -9.293 -3.060 1.00 0.00 N ATOM 554 CA LYS A 115 9.350 -8.228 -2.994 1.00 0.00 C ATOM 555 C LYS A 115 9.647 -7.684 -4.391 1.00 0.00 C ATOM 556 O LYS A 115 10.174 -8.391 -5.247 1.00 0.00 O ATOM 557 CB LYS A 115 10.641 -8.771 -2.365 1.00 0.00 C ATOM 558 CG LYS A 115 10.961 -10.150 -2.953 1.00 0.00 C ATOM 559 CD LYS A 115 12.246 -10.690 -2.334 1.00 0.00 C ATOM 560 CE LYS A 115 12.651 -11.969 -3.065 1.00 0.00 C ATOM 561 NZ LYS A 115 11.644 -13.035 -2.803 1.00 0.00 N ATOM 0 H LYS A 115 8.485 -9.959 -3.820 1.00 0.00 H new ATOM 0 HA LYS A 115 8.959 -7.417 -2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.466 -8.084 -2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.528 -8.843 -1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.137 -10.837 -2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.070 -10.078 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.040 -9.947 -2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.097 -10.894 -1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.725 -11.780 -4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.636 -12.295 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.030 -13.956 -3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 11.420 -13.059 -1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.778 -12.835 -3.344 1.00 0.00 H new ATOM 575 N LEU A 116 9.308 -6.420 -4.623 1.00 0.00 N ATOM 576 CA LEU A 116 9.547 -5.790 -5.925 1.00 0.00 C ATOM 577 C LEU A 116 10.669 -4.766 -5.798 1.00 0.00 C ATOM 578 O LEU A 116 11.025 -4.364 -4.691 1.00 0.00 O ATOM 579 CB LEU A 116 8.269 -5.096 -6.410 1.00 0.00 C ATOM 580 CG LEU A 116 7.095 -6.086 -6.377 1.00 0.00 C ATOM 581 CD1 LEU A 116 5.810 -5.369 -6.804 1.00 0.00 C ATOM 582 CD2 LEU A 116 7.370 -7.259 -7.332 1.00 0.00 C ATOM 0 H LEU A 116 8.869 -5.811 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 116 9.834 -6.555 -6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.049 -4.236 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.411 -4.719 -7.423 1.00 0.00 H new ATOM 0 HG LEU A 116 6.980 -6.470 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.977 -6.071 -6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.609 -4.544 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.929 -4.981 -7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.533 -7.956 -7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.492 -6.881 -8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.281 -7.773 -7.024 1.00 0.00 H new ATOM 594 N THR A 117 11.230 -4.348 -6.927 1.00 0.00 N ATOM 595 CA THR A 117 12.309 -3.367 -6.896 1.00 0.00 C ATOM 596 C THR A 117 11.744 -2.005 -6.506 1.00 0.00 C ATOM 597 O THR A 117 10.528 -1.819 -6.494 1.00 0.00 O ATOM 598 CB THR A 117 12.988 -3.280 -8.266 1.00 0.00 C ATOM 599 OG1 THR A 117 12.054 -2.807 -9.224 1.00 0.00 O ATOM 600 CG2 THR A 117 13.489 -4.665 -8.680 1.00 0.00 C ATOM 0 H THR A 117 10.963 -4.665 -7.859 1.00 0.00 H new ATOM 0 HA THR A 117 13.052 -3.676 -6.161 1.00 0.00 H new ATOM 0 HB THR A 117 13.833 -2.594 -8.210 1.00 0.00 H new ATOM 0 HG1 THR A 117 12.487 -2.749 -10.101 1.00 0.00 H new ATOM 0 HG21 THR A 117 13.972 -4.601 -9.655 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.206 -5.028 -7.943 1.00 0.00 H new ATOM 0 HG23 THR A 117 12.647 -5.355 -8.737 1.00 0.00 H new ATOM 608 N ASP A 118 12.616 -1.053 -6.186 1.00 0.00 N ATOM 609 CA ASP A 118 12.151 0.275 -5.797 1.00 0.00 C ATOM 610 C ASP A 118 11.437 0.962 -6.955 1.00 0.00 C ATOM 611 O ASP A 118 10.394 1.589 -6.769 1.00 0.00 O ATOM 612 CB ASP A 118 13.330 1.136 -5.338 1.00 0.00 C ATOM 613 CG ASP A 118 14.387 1.208 -6.434 1.00 0.00 C ATOM 614 OD1 ASP A 118 14.257 0.483 -7.406 1.00 0.00 O ATOM 615 OD2 ASP A 118 15.316 1.985 -6.284 1.00 0.00 O ATOM 0 H ASP A 118 13.629 -1.172 -6.188 1.00 0.00 H new ATOM 0 HA ASP A 118 11.447 0.157 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 118 12.983 2.139 -5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.764 0.717 -4.431 1.00 0.00 H new ATOM 620 N GLU A 119 11.997 0.846 -8.152 1.00 0.00 N ATOM 621 CA GLU A 119 11.393 1.467 -9.323 1.00 0.00 C ATOM 622 C GLU A 119 9.975 0.959 -9.531 1.00 0.00 C ATOM 623 O GLU A 119 9.103 1.696 -9.979 1.00 0.00 O ATOM 624 CB GLU A 119 12.234 1.174 -10.573 1.00 0.00 C ATOM 625 CG GLU A 119 13.570 1.915 -10.471 1.00 0.00 C ATOM 626 CD GLU A 119 14.458 1.560 -11.658 1.00 0.00 C ATOM 627 OE1 GLU A 119 14.008 0.805 -12.504 1.00 0.00 O ATOM 628 OE2 GLU A 119 15.574 2.053 -11.707 1.00 0.00 O ATOM 0 H GLU A 119 12.859 0.333 -8.337 1.00 0.00 H new ATOM 0 HA GLU A 119 11.359 2.544 -9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.406 0.102 -10.666 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.698 1.489 -11.468 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.397 2.991 -10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.071 1.650 -9.540 1.00 0.00 H new ATOM 635 N GLU A 120 9.733 -0.297 -9.186 1.00 0.00 N ATOM 636 CA GLU A 120 8.394 -0.860 -9.329 1.00 0.00 C ATOM 637 C GLU A 120 7.469 -0.308 -8.248 1.00 0.00 C ATOM 638 O GLU A 120 6.348 0.113 -8.535 1.00 0.00 O ATOM 639 CB GLU A 120 8.453 -2.386 -9.238 1.00 0.00 C ATOM 640 CG GLU A 120 9.189 -2.942 -10.463 1.00 0.00 C ATOM 641 CD GLU A 120 8.365 -2.703 -11.725 1.00 0.00 C ATOM 642 OE1 GLU A 120 7.170 -2.483 -11.592 1.00 0.00 O ATOM 643 OE2 GLU A 120 8.935 -2.746 -12.801 1.00 0.00 O ATOM 0 H GLU A 120 10.432 -0.939 -8.811 1.00 0.00 H new ATOM 0 HA GLU A 120 8.000 -0.578 -10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.966 -2.687 -8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.445 -2.797 -9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.163 -2.463 -10.560 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.370 -4.009 -10.334 1.00 0.00 H new ATOM 650 N VAL A 121 7.946 -0.306 -7.008 1.00 0.00 N ATOM 651 CA VAL A 121 7.149 0.210 -5.902 1.00 0.00 C ATOM 652 C VAL A 121 6.923 1.709 -6.074 1.00 0.00 C ATOM 653 O VAL A 121 5.815 2.201 -5.882 1.00 0.00 O ATOM 654 CB VAL A 121 7.844 -0.069 -4.564 1.00 0.00 C ATOM 655 CG1 VAL A 121 7.076 0.618 -3.429 1.00 0.00 C ATOM 656 CG2 VAL A 121 7.875 -1.581 -4.316 1.00 0.00 C ATOM 0 H VAL A 121 8.869 -0.651 -6.746 1.00 0.00 H new ATOM 0 HA VAL A 121 6.184 -0.296 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 121 8.862 0.320 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.573 0.417 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 121 7.051 1.693 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.057 0.232 -3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.368 -1.784 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.856 -1.966 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.423 -2.071 -5.121 1.00 0.00 H new ATOM 666 N GLU A 122 7.977 2.430 -6.441 1.00 0.00 N ATOM 667 CA GLU A 122 7.863 3.872 -6.634 1.00 0.00 C ATOM 668 C GLU A 122 6.898 4.181 -7.775 1.00 0.00 C ATOM 669 O GLU A 122 6.106 5.114 -7.692 1.00 0.00 O ATOM 670 CB GLU A 122 9.241 4.471 -6.937 1.00 0.00 C ATOM 671 CG GLU A 122 9.123 5.992 -7.077 1.00 0.00 C ATOM 672 CD GLU A 122 10.506 6.602 -7.276 1.00 0.00 C ATOM 673 OE1 GLU A 122 11.438 5.846 -7.495 1.00 0.00 O ATOM 674 OE2 GLU A 122 10.614 7.814 -7.202 1.00 0.00 O ATOM 0 H GLU A 122 8.907 2.047 -6.609 1.00 0.00 H new ATOM 0 HA GLU A 122 7.475 4.317 -5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.940 4.223 -6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.641 4.041 -7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.481 6.240 -7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 122 8.655 6.413 -6.187 1.00 0.00 H new ATOM 681 N GLN A 123 6.960 3.382 -8.834 1.00 0.00 N ATOM 682 CA GLN A 123 6.067 3.583 -9.973 1.00 0.00 C ATOM 683 C GLN A 123 4.631 3.239 -9.593 1.00 0.00 C ATOM 684 O GLN A 123 3.697 3.946 -9.968 1.00 0.00 O ATOM 685 CB GLN A 123 6.523 2.725 -11.160 1.00 0.00 C ATOM 686 CG GLN A 123 7.746 3.370 -11.822 1.00 0.00 C ATOM 687 CD GLN A 123 7.331 4.633 -12.568 1.00 0.00 C ATOM 688 OE1 GLN A 123 6.447 4.589 -13.422 1.00 0.00 O ATOM 689 NE2 GLN A 123 7.921 5.766 -12.293 1.00 0.00 N ATOM 0 H GLN A 123 7.608 2.600 -8.930 1.00 0.00 H new ATOM 0 HA GLN A 123 6.105 4.633 -10.263 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.769 1.719 -10.821 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.714 2.628 -11.884 1.00 0.00 H new ATOM 0 HG2 GLN A 123 8.493 3.613 -11.066 1.00 0.00 H new ATOM 0 HG3 GLN A 123 8.209 2.666 -12.513 1.00 0.00 H new ATOM 0 HE21 GLN A 123 8.654 5.801 -11.584 1.00 0.00 H new ATOM 0 HE22 GLN A 123 7.649 6.616 -12.787 1.00 0.00 H new ATOM 698 N MET A 124 4.454 2.156 -8.840 1.00 0.00 N ATOM 699 CA MET A 124 3.128 1.750 -8.417 1.00 0.00 C ATOM 700 C MET A 124 2.526 2.796 -7.487 1.00 0.00 C ATOM 701 O MET A 124 1.352 3.136 -7.605 1.00 0.00 O ATOM 702 CB MET A 124 3.212 0.393 -7.715 1.00 0.00 C ATOM 703 CG MET A 124 1.820 -0.027 -7.264 1.00 0.00 C ATOM 704 SD MET A 124 1.848 -1.752 -6.708 1.00 0.00 S ATOM 705 CE MET A 124 3.117 -1.571 -5.432 1.00 0.00 C ATOM 0 H MET A 124 5.209 1.552 -8.515 1.00 0.00 H new ATOM 0 HA MET A 124 2.482 1.660 -9.291 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.629 -0.354 -8.391 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.881 0.455 -6.857 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.479 0.620 -6.455 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.112 0.089 -8.084 1.00 0.00 H new ATOM 0 HE1 MET A 124 2.950 -2.307 -4.645 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.101 -1.729 -5.873 1.00 0.00 H new ATOM 0 HE3 MET A 124 3.066 -0.568 -5.008 1.00 0.00 H new ATOM 715 N ILE A 125 3.335 3.313 -6.569 1.00 0.00 N ATOM 716 CA ILE A 125 2.852 4.328 -5.637 1.00 0.00 C ATOM 717 C ILE A 125 2.466 5.591 -6.403 1.00 0.00 C ATOM 718 O ILE A 125 1.392 6.156 -6.204 1.00 0.00 O ATOM 719 CB ILE A 125 3.956 4.653 -4.619 1.00 0.00 C ATOM 720 CG1 ILE A 125 4.234 3.414 -3.730 1.00 0.00 C ATOM 721 CG2 ILE A 125 3.525 5.844 -3.753 1.00 0.00 C ATOM 722 CD1 ILE A 125 3.268 3.357 -2.542 1.00 0.00 C ATOM 0 H ILE A 125 4.314 3.052 -6.450 1.00 0.00 H new ATOM 0 HA ILE A 125 1.975 3.950 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 125 4.871 4.915 -5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.136 2.506 -4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.261 3.447 -3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 125 4.310 6.072 -3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.352 6.712 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.606 5.594 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.487 2.477 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.385 4.254 -1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.243 3.299 -2.909 1.00 0.00 H new ATOM 734 N LYS A 126 3.353 6.010 -7.290 1.00 0.00 N ATOM 735 CA LYS A 126 3.107 7.196 -8.101 1.00 0.00 C ATOM 736 C LYS A 126 1.919 6.980 -9.029 1.00 0.00 C ATOM 737 O LYS A 126 1.104 7.877 -9.234 1.00 0.00 O ATOM 738 CB LYS A 126 4.342 7.536 -8.914 1.00 0.00 C ATOM 739 CG LYS A 126 5.438 8.051 -7.980 1.00 0.00 C ATOM 740 CD LYS A 126 6.738 8.255 -8.766 1.00 0.00 C ATOM 741 CE LYS A 126 6.580 9.418 -9.752 1.00 0.00 C ATOM 742 NZ LYS A 126 7.922 9.879 -10.195 1.00 0.00 N ATOM 0 H LYS A 126 4.246 5.551 -7.468 1.00 0.00 H new ATOM 0 HA LYS A 126 2.877 8.026 -7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.691 6.654 -9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.102 8.291 -9.662 1.00 0.00 H new ATOM 0 HG2 LYS A 126 5.127 8.991 -7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 126 5.600 7.341 -7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 126 7.559 8.459 -8.079 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.993 7.343 -9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 126 5.990 9.102 -10.612 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.040 10.238 -9.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 7.815 10.668 -10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 8.470 10.197 -9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 8.422 9.095 -10.661 1.00 0.00 H new ATOM 756 N GLU A 127 1.832 5.782 -9.587 1.00 0.00 N ATOM 757 CA GLU A 127 0.740 5.446 -10.493 1.00 0.00 C ATOM 758 C GLU A 127 -0.557 5.245 -9.725 1.00 0.00 C ATOM 759 O GLU A 127 -1.639 5.579 -10.209 1.00 0.00 O ATOM 760 CB GLU A 127 1.076 4.176 -11.256 1.00 0.00 C ATOM 761 CG GLU A 127 0.046 3.959 -12.368 1.00 0.00 C ATOM 762 CD GLU A 127 0.439 2.755 -13.218 1.00 0.00 C ATOM 763 OE1 GLU A 127 1.580 2.335 -13.120 1.00 0.00 O ATOM 764 OE2 GLU A 127 -0.404 2.274 -13.956 1.00 0.00 O ATOM 0 H GLU A 127 2.501 5.028 -9.430 1.00 0.00 H new ATOM 0 HA GLU A 127 0.609 6.272 -11.192 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.077 4.249 -11.682 1.00 0.00 H new ATOM 0 HB3 GLU A 127 1.080 3.322 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.941 3.801 -11.934 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.019 4.850 -12.993 1.00 0.00 H new ATOM 771 N ALA A 128 -0.443 4.680 -8.531 1.00 0.00 N ATOM 772 CA ALA A 128 -1.625 4.424 -7.708 1.00 0.00 C ATOM 773 C ALA A 128 -2.148 5.706 -7.077 1.00 0.00 C ATOM 774 O ALA A 128 -3.339 5.834 -6.813 1.00 0.00 O ATOM 775 CB ALA A 128 -1.303 3.425 -6.599 1.00 0.00 C ATOM 0 H ALA A 128 0.441 4.392 -8.112 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.391 4.012 -8.364 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.195 3.248 -5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.971 2.485 -7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.513 3.827 -5.965 1.00 0.00 H new ATOM 781 N ASP A 129 -1.253 6.650 -6.833 1.00 0.00 N ATOM 782 CA ASP A 129 -1.641 7.911 -6.214 1.00 0.00 C ATOM 783 C ASP A 129 -2.448 8.774 -7.153 1.00 0.00 C ATOM 784 O ASP A 129 -1.932 9.300 -8.137 1.00 0.00 O ATOM 785 CB ASP A 129 -0.407 8.682 -5.787 1.00 0.00 C ATOM 786 CG ASP A 129 -0.812 9.978 -5.101 1.00 0.00 C ATOM 787 OD1 ASP A 129 -1.865 9.995 -4.484 1.00 0.00 O ATOM 788 OD2 ASP A 129 -0.067 10.940 -5.205 1.00 0.00 O ATOM 0 H ASP A 129 -0.260 6.570 -7.051 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.258 7.668 -5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 129 0.194 8.075 -5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 129 0.214 8.900 -6.656 1.00 0.00 H new ATOM 793 N LEU A 130 -3.723 8.924 -6.832 1.00 0.00 N ATOM 794 CA LEU A 130 -4.612 9.745 -7.648 1.00 0.00 C ATOM 795 C LEU A 130 -4.590 11.205 -7.198 1.00 0.00 C ATOM 796 O LEU A 130 -4.878 12.106 -7.984 1.00 0.00 O ATOM 797 CB LEU A 130 -6.051 9.204 -7.592 1.00 0.00 C ATOM 798 CG LEU A 130 -6.969 10.039 -8.505 1.00 0.00 C ATOM 799 CD1 LEU A 130 -6.459 10.000 -9.959 1.00 0.00 C ATOM 800 CD2 LEU A 130 -8.390 9.469 -8.445 1.00 0.00 C ATOM 0 H LEU A 130 -4.166 8.493 -6.020 1.00 0.00 H new ATOM 0 HA LEU A 130 -4.252 9.697 -8.676 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.067 8.160 -7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.420 9.235 -6.567 1.00 0.00 H new ATOM 0 HG LEU A 130 -6.968 11.074 -8.162 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -7.118 10.594 -10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -5.449 10.409 -10.002 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -6.448 8.969 -10.313 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -9.045 10.056 -9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.381 8.433 -8.784 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -8.756 9.512 -7.419 1.00 0.00 H new ATOM 812 N ASP A 131 -4.277 11.433 -5.925 1.00 0.00 N ATOM 813 CA ASP A 131 -4.260 12.791 -5.388 1.00 0.00 C ATOM 814 C ASP A 131 -2.976 13.522 -5.756 1.00 0.00 C ATOM 815 O ASP A 131 -2.870 14.730 -5.557 1.00 0.00 O ATOM 816 CB ASP A 131 -4.387 12.751 -3.865 1.00 0.00 C ATOM 817 CG ASP A 131 -5.625 11.959 -3.461 1.00 0.00 C ATOM 818 OD1 ASP A 131 -6.708 12.335 -3.878 1.00 0.00 O ATOM 819 OD2 ASP A 131 -5.471 10.988 -2.739 1.00 0.00 O ATOM 0 H ASP A 131 -4.034 10.705 -5.253 1.00 0.00 H new ATOM 0 HA ASP A 131 -5.103 13.327 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.497 12.296 -3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.451 13.765 -3.471 1.00 0.00 H new ATOM 824 N GLY A 132 -2.000 12.798 -6.290 1.00 0.00 N ATOM 825 CA GLY A 132 -0.738 13.421 -6.670 1.00 0.00 C ATOM 826 C GLY A 132 0.072 13.823 -5.440 1.00 0.00 C ATOM 827 O GLY A 132 0.932 14.695 -5.520 1.00 0.00 O ATOM 0 H GLY A 132 -2.055 11.795 -6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -0.158 12.730 -7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -0.934 14.301 -7.283 1.00 0.00 H new ATOM 831 N ASP A 133 -0.206 13.190 -4.299 1.00 0.00 N ATOM 832 CA ASP A 133 0.521 13.510 -3.065 1.00 0.00 C ATOM 833 C ASP A 133 1.687 12.548 -2.871 1.00 0.00 C ATOM 834 O ASP A 133 2.560 12.774 -2.035 1.00 0.00 O ATOM 835 CB ASP A 133 -0.417 13.418 -1.861 1.00 0.00 C ATOM 836 CG ASP A 133 -1.067 12.042 -1.811 1.00 0.00 C ATOM 837 OD1 ASP A 133 -0.912 11.304 -2.767 1.00 0.00 O ATOM 838 OD2 ASP A 133 -1.708 11.748 -0.815 1.00 0.00 O ATOM 0 H ASP A 133 -0.916 12.465 -4.201 1.00 0.00 H new ATOM 0 HA ASP A 133 0.905 14.527 -3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.139 13.600 -0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.184 14.189 -1.927 1.00 0.00 H new ATOM 843 N GLY A 134 1.699 11.473 -3.656 1.00 0.00 N ATOM 844 CA GLY A 134 2.764 10.478 -3.572 1.00 0.00 C ATOM 845 C GLY A 134 2.458 9.462 -2.490 1.00 0.00 C ATOM 846 O GLY A 134 3.323 8.677 -2.099 1.00 0.00 O ATOM 0 H GLY A 134 0.985 11.269 -4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 134 2.875 9.973 -4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.713 10.970 -3.359 1.00 0.00 H new ATOM 850 N GLN A 135 1.228 9.497 -1.989 1.00 0.00 N ATOM 851 CA GLN A 135 0.805 8.600 -0.924 1.00 0.00 C ATOM 852 C GLN A 135 -0.389 7.774 -1.371 1.00 0.00 C ATOM 853 O GLN A 135 -1.237 8.247 -2.122 1.00 0.00 O ATOM 854 CB GLN A 135 0.415 9.458 0.302 1.00 0.00 C ATOM 855 CG GLN A 135 1.518 9.420 1.354 1.00 0.00 C ATOM 856 CD GLN A 135 1.248 10.460 2.431 1.00 0.00 C ATOM 857 OE1 GLN A 135 0.755 11.548 2.137 1.00 0.00 O ATOM 858 NE2 GLN A 135 1.547 10.187 3.671 1.00 0.00 N ATOM 0 H GLN A 135 0.504 10.141 -2.307 1.00 0.00 H new ATOM 0 HA GLN A 135 1.617 7.918 -0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 135 0.237 10.487 -0.009 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -0.517 9.088 0.730 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.571 8.427 1.801 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.484 9.611 0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 135 1.956 9.284 3.910 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.372 10.877 4.402 1.00 0.00 H new ATOM 867 N VAL A 136 -0.463 6.542 -0.888 1.00 0.00 N ATOM 868 CA VAL A 136 -1.587 5.684 -1.230 1.00 0.00 C ATOM 869 C VAL A 136 -2.703 5.941 -0.226 1.00 0.00 C ATOM 870 O VAL A 136 -2.542 5.685 0.967 1.00 0.00 O ATOM 871 CB VAL A 136 -1.152 4.204 -1.188 1.00 0.00 C ATOM 872 CG1 VAL A 136 -2.377 3.295 -1.027 1.00 0.00 C ATOM 873 CG2 VAL A 136 -0.426 3.847 -2.489 1.00 0.00 C ATOM 0 H VAL A 136 0.229 6.120 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 136 -1.939 5.903 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 136 -0.484 4.057 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -2.056 2.254 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -2.893 3.541 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.053 3.444 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.119 2.802 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.096 4.004 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.454 4.481 -2.600 1.00 0.00 H new ATOM 883 N ASN A 137 -3.844 6.431 -0.706 1.00 0.00 N ATOM 884 CA ASN A 137 -4.986 6.700 0.176 1.00 0.00 C ATOM 885 C ASN A 137 -6.037 5.604 0.017 1.00 0.00 C ATOM 886 O ASN A 137 -5.942 4.764 -0.879 1.00 0.00 O ATOM 887 CB ASN A 137 -5.602 8.061 -0.164 1.00 0.00 C ATOM 888 CG ASN A 137 -6.502 8.531 0.975 1.00 0.00 C ATOM 889 OD1 ASN A 137 -6.341 8.092 2.115 1.00 0.00 O ATOM 890 ND2 ASN A 137 -7.436 9.411 0.737 1.00 0.00 N ATOM 0 H ASN A 137 -4.006 6.649 -1.689 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.638 6.714 1.209 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.813 8.792 -0.339 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.178 7.987 -1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -8.035 9.737 1.496 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -7.567 9.773 -0.208 1.00 0.00 H new ATOM 897 N TYR A 138 -7.028 5.598 0.899 1.00 0.00 N ATOM 898 CA TYR A 138 -8.070 4.575 0.851 1.00 0.00 C ATOM 899 C TYR A 138 -8.572 4.372 -0.579 1.00 0.00 C ATOM 900 O TYR A 138 -8.611 3.246 -1.071 1.00 0.00 O ATOM 901 CB TYR A 138 -9.242 4.985 1.743 1.00 0.00 C ATOM 902 CG TYR A 138 -10.234 3.848 1.821 1.00 0.00 C ATOM 903 CD1 TYR A 138 -9.984 2.761 2.669 1.00 0.00 C ATOM 904 CD2 TYR A 138 -11.402 3.880 1.051 1.00 0.00 C ATOM 905 CE1 TYR A 138 -10.903 1.708 2.748 1.00 0.00 C ATOM 906 CE2 TYR A 138 -12.319 2.825 1.128 1.00 0.00 C ATOM 907 CZ TYR A 138 -12.072 1.741 1.975 1.00 0.00 C ATOM 908 OH TYR A 138 -12.986 0.709 2.052 1.00 0.00 O ATOM 0 H TYR A 138 -7.134 6.281 1.649 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.642 3.638 1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.883 5.238 2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.724 5.876 1.342 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.082 2.736 3.262 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.596 4.718 0.398 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.712 0.871 3.404 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -13.219 2.849 0.532 1.00 0.00 H new ATOM 0 HH TYR A 138 -13.343 0.655 2.963 1.00 0.00 H new ATOM 918 N GLU A 139 -8.957 5.455 -1.243 1.00 0.00 N ATOM 919 CA GLU A 139 -9.463 5.355 -2.613 1.00 0.00 C ATOM 920 C GLU A 139 -8.414 4.766 -3.546 1.00 0.00 C ATOM 921 O GLU A 139 -8.719 3.886 -4.351 1.00 0.00 O ATOM 922 CB GLU A 139 -9.878 6.738 -3.116 1.00 0.00 C ATOM 923 CG GLU A 139 -10.504 6.622 -4.510 1.00 0.00 C ATOM 924 CD GLU A 139 -10.957 7.996 -4.990 1.00 0.00 C ATOM 925 OE1 GLU A 139 -10.572 8.974 -4.369 1.00 0.00 O ATOM 926 OE2 GLU A 139 -11.680 8.050 -5.969 1.00 0.00 O ATOM 0 H GLU A 139 -8.931 6.402 -0.865 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.328 4.691 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.591 7.187 -2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.010 7.397 -3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -9.781 6.203 -5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -11.353 5.939 -4.482 1.00 0.00 H new ATOM 933 N GLU A 140 -7.178 5.236 -3.440 1.00 0.00 N ATOM 934 CA GLU A 140 -6.125 4.720 -4.296 1.00 0.00 C ATOM 935 C GLU A 140 -5.831 3.270 -3.961 1.00 0.00 C ATOM 936 O GLU A 140 -5.681 2.441 -4.852 1.00 0.00 O ATOM 937 CB GLU A 140 -4.869 5.571 -4.140 1.00 0.00 C ATOM 938 CG GLU A 140 -5.163 7.010 -4.618 1.00 0.00 C ATOM 939 CD GLU A 140 -4.241 8.018 -3.941 1.00 0.00 C ATOM 940 OE1 GLU A 140 -3.493 7.627 -3.059 1.00 0.00 O ATOM 941 OE2 GLU A 140 -4.306 9.181 -4.309 1.00 0.00 O ATOM 0 H GLU A 140 -6.886 5.959 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.457 4.768 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.549 5.580 -3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.052 5.143 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.038 7.069 -5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.201 7.262 -4.403 1.00 0.00 H new ATOM 948 N PHE A 141 -5.763 2.960 -2.671 1.00 0.00 N ATOM 949 CA PHE A 141 -5.499 1.589 -2.257 1.00 0.00 C ATOM 950 C PHE A 141 -6.604 0.688 -2.781 1.00 0.00 C ATOM 951 O PHE A 141 -6.336 -0.341 -3.390 1.00 0.00 O ATOM 952 CB PHE A 141 -5.428 1.502 -0.729 1.00 0.00 C ATOM 953 CG PHE A 141 -5.101 0.085 -0.305 1.00 0.00 C ATOM 954 CD1 PHE A 141 -3.881 -0.496 -0.683 1.00 0.00 C ATOM 955 CD2 PHE A 141 -6.013 -0.648 0.472 1.00 0.00 C ATOM 956 CE1 PHE A 141 -3.578 -1.803 -0.289 1.00 0.00 C ATOM 957 CE2 PHE A 141 -5.705 -1.954 0.863 1.00 0.00 C ATOM 958 CZ PHE A 141 -4.488 -2.532 0.482 1.00 0.00 C ATOM 0 H PHE A 141 -5.884 3.626 -1.908 1.00 0.00 H new ATOM 0 HA PHE A 141 -4.542 1.265 -2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.669 2.187 -0.352 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -6.379 1.810 -0.294 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.176 0.066 -1.278 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.952 -0.203 0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.639 -2.250 -0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.407 -2.518 1.460 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.252 -3.542 0.784 1.00 0.00 H new ATOM 968 N VAL A 142 -7.846 1.090 -2.548 1.00 0.00 N ATOM 969 CA VAL A 142 -8.978 0.308 -3.020 1.00 0.00 C ATOM 970 C VAL A 142 -8.915 0.195 -4.532 1.00 0.00 C ATOM 971 O VAL A 142 -9.084 -0.887 -5.094 1.00 0.00 O ATOM 972 CB VAL A 142 -10.293 0.986 -2.599 1.00 0.00 C ATOM 973 CG1 VAL A 142 -11.467 0.390 -3.384 1.00 0.00 C ATOM 974 CG2 VAL A 142 -10.524 0.769 -1.103 1.00 0.00 C ATOM 0 H VAL A 142 -8.092 1.941 -2.042 1.00 0.00 H new ATOM 0 HA VAL A 142 -8.939 -0.689 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 142 -10.225 2.053 -2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -12.393 0.877 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -11.309 0.548 -4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.535 -0.679 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -11.456 1.250 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -10.584 -0.299 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -9.697 1.202 -0.541 1.00 0.00 H new ATOM 984 N LYS A 143 -8.672 1.317 -5.188 1.00 0.00 N ATOM 985 CA LYS A 143 -8.591 1.335 -6.630 1.00 0.00 C ATOM 986 C LYS A 143 -7.429 0.472 -7.107 1.00 0.00 C ATOM 987 O LYS A 143 -7.589 -0.369 -7.991 1.00 0.00 O ATOM 988 CB LYS A 143 -8.386 2.780 -7.088 1.00 0.00 C ATOM 989 CG LYS A 143 -8.476 2.881 -8.620 1.00 0.00 C ATOM 990 CD LYS A 143 -9.939 2.746 -9.078 1.00 0.00 C ATOM 991 CE LYS A 143 -10.083 3.276 -10.501 1.00 0.00 C ATOM 992 NZ LYS A 143 -9.299 2.419 -11.433 1.00 0.00 N ATOM 0 H LYS A 143 -8.528 2.223 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 143 -9.512 0.934 -7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -9.139 3.422 -6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -7.414 3.139 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -8.070 3.836 -8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -7.870 2.100 -9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -10.249 1.702 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -10.593 3.300 -8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -11.133 3.283 -10.793 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -9.731 4.306 -10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -9.529 2.673 -12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -8.283 2.565 -11.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -9.537 1.420 -11.269 1.00 0.00 H new ATOM 1006 N MET A 144 -6.266 0.677 -6.500 1.00 0.00 N ATOM 1007 CA MET A 144 -5.080 -0.104 -6.851 1.00 0.00 C ATOM 1008 C MET A 144 -5.275 -1.548 -6.453 1.00 0.00 C ATOM 1009 O MET A 144 -4.950 -2.470 -7.196 1.00 0.00 O ATOM 1010 CB MET A 144 -3.857 0.445 -6.113 1.00 0.00 C ATOM 1011 CG MET A 144 -2.565 -0.036 -6.795 1.00 0.00 C ATOM 1012 SD MET A 144 -2.331 -1.809 -6.493 1.00 0.00 S ATOM 1013 CE MET A 144 -1.553 -1.678 -4.861 1.00 0.00 C ATOM 0 H MET A 144 -6.116 1.371 -5.768 1.00 0.00 H new ATOM 0 HA MET A 144 -4.926 -0.035 -7.928 1.00 0.00 H new ATOM 0 HB2 MET A 144 -3.888 1.535 -6.103 1.00 0.00 H new ATOM 0 HB3 MET A 144 -3.872 0.116 -5.074 1.00 0.00 H new ATOM 0 HG2 MET A 144 -2.616 0.156 -7.867 1.00 0.00 H new ATOM 0 HG3 MET A 144 -1.711 0.523 -6.412 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.511 -1.992 -4.928 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.599 -0.644 -4.518 1.00 0.00 H new ATOM 0 HE3 MET A 144 -2.080 -2.319 -4.154 1.00 0.00 H new ATOM 1023 N MET A 145 -5.819 -1.724 -5.267 1.00 0.00 N ATOM 1024 CA MET A 145 -6.068 -3.062 -4.752 1.00 0.00 C ATOM 1025 C MET A 145 -7.038 -3.792 -5.659 1.00 0.00 C ATOM 1026 O MET A 145 -6.898 -4.985 -5.896 1.00 0.00 O ATOM 1027 CB MET A 145 -6.615 -3.013 -3.322 1.00 0.00 C ATOM 1028 CG MET A 145 -6.879 -4.450 -2.814 1.00 0.00 C ATOM 1029 SD MET A 145 -8.643 -4.835 -2.968 1.00 0.00 S ATOM 1030 CE MET A 145 -9.263 -3.650 -1.745 1.00 0.00 C ATOM 0 H MET A 145 -6.097 -0.967 -4.643 1.00 0.00 H new ATOM 0 HA MET A 145 -5.121 -3.601 -4.730 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.903 -2.511 -2.667 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.537 -2.432 -3.295 1.00 0.00 H new ATOM 0 HG2 MET A 145 -6.289 -5.164 -3.389 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.566 -4.542 -1.774 1.00 0.00 H new ATOM 0 HE1 MET A 145 -9.963 -4.150 -1.076 1.00 0.00 H new ATOM 0 HE2 MET A 145 -8.428 -3.254 -1.167 1.00 0.00 H new ATOM 0 HE3 MET A 145 -9.771 -2.832 -2.256 1.00 0.00 H new ATOM 1040 N MET A 146 -8.023 -3.065 -6.177 1.00 0.00 N ATOM 1041 CA MET A 146 -8.998 -3.663 -7.080 1.00 0.00 C ATOM 1042 C MET A 146 -8.350 -3.977 -8.425 1.00 0.00 C ATOM 1043 O MET A 146 -8.610 -5.019 -9.019 1.00 0.00 O ATOM 1044 CB MET A 146 -10.182 -2.709 -7.284 1.00 0.00 C ATOM 1045 CG MET A 146 -11.128 -2.802 -6.084 1.00 0.00 C ATOM 1046 SD MET A 146 -11.983 -4.398 -6.106 1.00 0.00 S ATOM 1047 CE MET A 146 -13.089 -4.075 -4.710 1.00 0.00 C ATOM 0 H MET A 146 -8.166 -2.073 -5.990 1.00 0.00 H new ATOM 0 HA MET A 146 -9.360 -4.591 -6.637 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.823 -1.686 -7.398 1.00 0.00 H new ATOM 0 HB3 MET A 146 -10.714 -2.964 -8.200 1.00 0.00 H new ATOM 0 HG2 MET A 146 -10.567 -2.692 -5.156 1.00 0.00 H new ATOM 0 HG3 MET A 146 -11.853 -1.989 -6.116 1.00 0.00 H new ATOM 0 HE1 MET A 146 -13.723 -4.945 -4.539 1.00 0.00 H new ATOM 0 HE2 MET A 146 -12.498 -3.876 -3.816 1.00 0.00 H new ATOM 0 HE3 MET A 146 -13.713 -3.209 -4.933 1.00 0.00 H new ATOM 1057 N THR A 147 -7.510 -3.062 -8.904 1.00 0.00 N ATOM 1058 CA THR A 147 -6.838 -3.242 -10.188 1.00 0.00 C ATOM 1059 C THR A 147 -6.277 -4.653 -10.312 1.00 0.00 C ATOM 1060 O THR A 147 -5.926 -5.102 -11.402 1.00 0.00 O ATOM 1061 CB THR A 147 -5.687 -2.241 -10.316 1.00 0.00 C ATOM 1062 OG1 THR A 147 -6.122 -0.962 -9.868 1.00 0.00 O ATOM 1063 CG2 THR A 147 -5.250 -2.138 -11.781 1.00 0.00 C ATOM 0 H THR A 147 -7.279 -2.192 -8.424 1.00 0.00 H new ATOM 0 HA THR A 147 -7.569 -3.077 -10.979 1.00 0.00 H new ATOM 0 HB THR A 147 -4.847 -2.580 -9.710 1.00 0.00 H new ATOM 0 HG1 THR A 147 -7.056 -1.018 -9.576 1.00 0.00 H new ATOM 0 HG21 THR A 147 -4.431 -1.424 -11.867 1.00 0.00 H new ATOM 0 HG22 THR A 147 -4.918 -3.115 -12.131 1.00 0.00 H new ATOM 0 HG23 THR A 147 -6.090 -1.801 -12.388 1.00 0.00 H new ATOM 1071 N VAL A 148 -6.196 -5.345 -9.187 1.00 0.00 N ATOM 1072 CA VAL A 148 -5.677 -6.701 -9.168 1.00 0.00 C ATOM 1073 C VAL A 148 -6.602 -7.648 -9.930 1.00 0.00 C ATOM 1074 O VAL A 148 -6.460 -8.869 -9.854 1.00 0.00 O ATOM 1075 CB VAL A 148 -5.513 -7.174 -7.722 1.00 0.00 C ATOM 1076 CG1 VAL A 148 -4.701 -6.146 -6.916 1.00 0.00 C ATOM 1077 CG2 VAL A 148 -6.897 -7.381 -7.079 1.00 0.00 C ATOM 0 H VAL A 148 -6.483 -4.989 -8.275 1.00 0.00 H new ATOM 0 HA VAL A 148 -4.704 -6.706 -9.660 1.00 0.00 H new ATOM 0 HB VAL A 148 -4.975 -8.122 -7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -4.591 -6.494 -5.889 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -3.715 -6.027 -7.366 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -5.220 -5.188 -6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -6.773 -7.718 -6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -7.447 -6.440 -7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -7.451 -8.132 -7.642 1.00 0.00 H new ATOM 1087 N ARG A 149 -7.553 -7.079 -10.674 1.00 0.00 N ATOM 1088 CA ARG A 149 -8.487 -7.884 -11.452 1.00 0.00 C ATOM 1089 C ARG A 149 -7.750 -9.030 -12.143 1.00 0.00 C ATOM 1090 O ARG A 149 -7.831 -10.142 -11.647 1.00 0.00 O ATOM 1091 CB ARG A 149 -9.182 -7.018 -12.508 1.00 0.00 C ATOM 1092 CG ARG A 149 -10.065 -5.975 -11.818 1.00 0.00 C ATOM 1093 CD ARG A 149 -10.699 -5.064 -12.868 1.00 0.00 C ATOM 1094 NE ARG A 149 -11.640 -5.817 -13.689 1.00 0.00 N ATOM 1095 CZ ARG A 149 -12.186 -5.274 -14.769 1.00 0.00 C ATOM 1096 NH1 ARG A 149 -11.879 -4.050 -15.105 1.00 0.00 N ATOM 1097 NH2 ARG A 149 -13.028 -5.959 -15.493 1.00 0.00 N ATOM 1098 OXT ARG A 149 -7.113 -8.777 -13.150 1.00 0.00 O ATOM 0 H ARG A 149 -7.693 -6.072 -10.752 1.00 0.00 H new ATOM 0 HA ARG A 149 -9.235 -8.294 -10.773 1.00 0.00 H new ATOM 0 HB2 ARG A 149 -8.439 -6.523 -13.133 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -9.786 -7.643 -13.165 1.00 0.00 H new ATOM 0 HG2 ARG A 149 -10.842 -6.470 -11.235 1.00 0.00 H new ATOM 0 HG3 ARG A 149 -9.470 -5.384 -11.121 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -11.213 -4.237 -12.379 1.00 0.00 H new ATOM 0 HD3 ARG A 149 -9.923 -4.629 -13.498 1.00 0.00 H new ATOM 0 HE ARG A 149 -11.881 -6.773 -13.429 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -11.221 -3.515 -14.538 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -12.297 -3.629 -15.935 1.00 0.00 H new ATOM 0 HH21 ARG A 149 -13.268 -6.915 -15.229 1.00 0.00 H new ATOM 0 HH22 ARG A 149 -13.446 -5.539 -16.323 1.00 0.00 H new TER 1112 ARG A 149 HETATM 1113 CA CA A 221 0.896 5.828 7.299 1.00 0.00 CA HETATM 1114 CA CA A 234 -3.715 9.800 -2.662 1.00 0.00 CA