USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 340 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 145 LYS NZ :NH3+ 152:sc= -0.0581 (180deg=-0.487) USER MOD Set 1.2: A 168 SER OG : rot -158:sc= -0.165 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN :FLIP amide:sc= -0.232 F(o=-2!,f=-0.23) USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN : amide:sc= -0.654 K(o=-0.65,f=-1.8!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 GLN :FLIP amide:sc= -0.0238 F(o=-0.7,f=-0.024) USER MOD Single : A 144 LYS NZ :NH3+ -103:sc= -1.15 (180deg=-2.55!) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 173:sc= 0.0719 (180deg=0.0636) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN : amide:sc= -0.115 K(o=-0.12,f=-2!) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 131 -14.993 -8.039 15.574 1.00 0.00 N ATOM 2 CA LYS A 131 -13.906 -7.080 15.488 1.00 0.00 C ATOM 3 C LYS A 131 -14.416 -5.796 14.829 1.00 0.00 C ATOM 4 O LYS A 131 -14.038 -5.480 13.702 1.00 0.00 O ATOM 5 CB LYS A 131 -12.700 -7.698 14.777 1.00 0.00 C ATOM 6 CG LYS A 131 -11.419 -7.485 15.585 1.00 0.00 C ATOM 7 CD LYS A 131 -10.463 -8.668 15.420 1.00 0.00 C ATOM 8 CE LYS A 131 -9.064 -8.318 15.931 1.00 0.00 C ATOM 9 NZ LYS A 131 -9.011 -8.419 17.406 1.00 0.00 N ATOM 0 HA LYS A 131 -13.556 -6.811 16.485 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -12.868 -8.765 14.629 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -12.589 -7.253 13.788 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -10.928 -6.568 15.260 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -11.667 -7.357 16.639 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -10.848 -9.530 15.965 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -10.409 -8.953 14.369 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -8.330 -8.991 15.488 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -8.799 -7.307 15.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -8.055 -8.178 17.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -9.698 -7.759 17.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -9.243 -9.390 17.696 1.00 0.00 H new ATOM 19 N VAL A 132 -15.266 -5.091 15.561 1.00 0.00 N ATOM 20 CA VAL A 132 -15.832 -3.849 15.062 1.00 0.00 C ATOM 21 C VAL A 132 -14.710 -2.830 14.853 1.00 0.00 C ATOM 22 O VAL A 132 -14.476 -2.380 13.733 1.00 0.00 O ATOM 23 CB VAL A 132 -16.922 -3.351 16.014 1.00 0.00 C ATOM 24 CG1 VAL A 132 -17.378 -1.941 15.634 1.00 0.00 C ATOM 25 CG2 VAL A 132 -18.105 -4.320 16.048 1.00 0.00 C ATOM 0 H VAL A 132 -15.577 -5.356 16.496 1.00 0.00 H new ATOM 0 HA VAL A 132 -16.311 -4.008 14.096 1.00 0.00 H new ATOM 0 HB VAL A 132 -16.497 -3.307 17.017 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -18.153 -1.610 16.326 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -16.530 -1.258 15.686 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -17.777 -1.949 14.620 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -18.865 -3.942 16.732 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -18.530 -4.411 15.048 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -17.765 -5.298 16.388 1.00 0.00 H new ATOM 35 N ASN A 133 -14.044 -2.496 15.949 1.00 0.00 N ATOM 36 CA ASN A 133 -12.953 -1.539 15.900 1.00 0.00 C ATOM 37 C ASN A 133 -12.142 -1.762 14.622 1.00 0.00 C ATOM 38 O ASN A 133 -11.578 -0.820 14.067 1.00 0.00 O ATOM 39 CB ASN A 133 -12.011 -1.715 17.093 1.00 0.00 C ATOM 40 CG ASN A 133 -12.110 -3.131 17.666 1.00 0.00 C ATOM 41 OD1 ASN A 133 -11.638 -4.075 16.857 1.00 0.00 O flip ATOM 42 ND2 ASN A 133 -12.585 -3.351 18.768 1.00 0.00 N flip ATOM 0 H ASN A 133 -14.240 -2.872 16.877 1.00 0.00 H new ATOM 0 HA ASN A 133 -13.382 -0.537 15.924 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -10.985 -1.515 16.783 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -12.258 -0.988 17.866 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -12.930 -2.579 19.338 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -12.637 -4.307 19.119 1.00 0.00 H new ATOM 48 N MET A 134 -12.109 -3.015 14.192 1.00 0.00 N ATOM 49 CA MET A 134 -11.377 -3.374 12.988 1.00 0.00 C ATOM 50 C MET A 134 -12.141 -2.947 11.734 1.00 0.00 C ATOM 51 O MET A 134 -11.604 -2.236 10.887 1.00 0.00 O ATOM 52 CB MET A 134 -11.151 -4.886 12.960 1.00 0.00 C ATOM 53 CG MET A 134 -9.711 -5.234 13.346 1.00 0.00 C ATOM 54 SD MET A 134 -9.312 -6.883 12.794 1.00 0.00 S ATOM 55 CE MET A 134 -7.529 -6.804 12.848 1.00 0.00 C ATOM 0 H MET A 134 -12.577 -3.794 14.655 1.00 0.00 H new ATOM 0 HA MET A 134 -10.418 -2.855 13.000 1.00 0.00 H new ATOM 0 HB2 MET A 134 -11.843 -5.373 13.647 1.00 0.00 H new ATOM 0 HB3 MET A 134 -11.367 -5.271 11.963 1.00 0.00 H new ATOM 0 HG2 MET A 134 -9.023 -4.516 12.900 1.00 0.00 H new ATOM 0 HG3 MET A 134 -9.589 -5.164 14.427 1.00 0.00 H new ATOM 0 HE1 MET A 134 -7.113 -7.760 12.531 1.00 0.00 H new ATOM 0 HE2 MET A 134 -7.179 -6.017 12.180 1.00 0.00 H new ATOM 0 HE3 MET A 134 -7.205 -6.587 13.866 1.00 0.00 H new ATOM 63 N ASP A 135 -13.384 -3.402 11.654 1.00 0.00 N ATOM 64 CA ASP A 135 -14.227 -3.077 10.517 1.00 0.00 C ATOM 65 C ASP A 135 -14.160 -1.572 10.250 1.00 0.00 C ATOM 66 O ASP A 135 -14.150 -1.142 9.098 1.00 0.00 O ATOM 67 CB ASP A 135 -15.687 -3.444 10.791 1.00 0.00 C ATOM 68 CG ASP A 135 -16.249 -4.563 9.912 1.00 0.00 C ATOM 69 OD1 ASP A 135 -15.871 -4.594 8.722 1.00 0.00 O ATOM 70 OD2 ASP A 135 -17.044 -5.363 10.452 1.00 0.00 O ATOM 0 H ASP A 135 -13.826 -3.993 12.358 1.00 0.00 H new ATOM 0 HA ASP A 135 -13.867 -3.644 9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -15.781 -3.741 11.835 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -16.301 -2.554 10.656 1.00 0.00 H new ATOM 74 N LEU A 136 -14.116 -0.813 11.336 1.00 0.00 N ATOM 75 CA LEU A 136 -14.051 0.634 11.233 1.00 0.00 C ATOM 76 C LEU A 136 -12.673 1.043 10.707 1.00 0.00 C ATOM 77 O LEU A 136 -12.572 1.750 9.705 1.00 0.00 O ATOM 78 CB LEU A 136 -14.413 1.283 12.571 1.00 0.00 C ATOM 79 CG LEU A 136 -14.333 2.811 12.620 1.00 0.00 C ATOM 80 CD1 LEU A 136 -15.572 3.446 11.988 1.00 0.00 C ATOM 81 CD2 LEU A 136 -14.102 3.301 14.050 1.00 0.00 C ATOM 0 H LEU A 136 -14.124 -1.173 12.290 1.00 0.00 H new ATOM 0 HA LEU A 136 -14.788 0.997 10.517 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -15.427 0.984 12.835 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -13.752 0.880 13.338 1.00 0.00 H new ATOM 0 HG LEU A 136 -13.474 3.128 12.029 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -15.489 4.532 12.036 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -15.650 3.134 10.947 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -16.462 3.126 12.530 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -14.049 4.390 14.057 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -14.926 2.973 14.684 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -13.166 2.890 14.429 1.00 0.00 H new ATOM 92 N ARG A 137 -11.646 0.579 11.404 1.00 0.00 N ATOM 93 CA ARG A 137 -10.280 0.886 11.019 1.00 0.00 C ATOM 94 C ARG A 137 -10.110 0.746 9.505 1.00 0.00 C ATOM 95 O ARG A 137 -9.926 1.740 8.804 1.00 0.00 O ATOM 96 CB ARG A 137 -9.287 -0.041 11.724 1.00 0.00 C ATOM 97 CG ARG A 137 -9.303 0.187 13.236 1.00 0.00 C ATOM 98 CD ARG A 137 -8.018 0.875 13.701 1.00 0.00 C ATOM 99 NE ARG A 137 -8.341 2.160 14.361 1.00 0.00 N ATOM 100 CZ ARG A 137 -8.541 3.311 13.706 1.00 0.00 C ATOM 101 NH1 ARG A 137 -8.452 3.346 12.369 1.00 0.00 N ATOM 102 NH2 ARG A 137 -8.830 4.428 14.387 1.00 0.00 N ATOM 0 H ARG A 137 -11.733 -0.008 12.234 1.00 0.00 H new ATOM 0 HA ARG A 137 -10.075 1.914 11.318 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -9.536 -1.080 11.507 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.283 0.134 11.337 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -10.165 0.797 13.506 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -9.415 -0.768 13.750 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -7.479 0.227 14.392 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -7.361 1.050 12.849 1.00 0.00 H new ATOM 0 HE ARG A 137 -8.416 2.169 15.378 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -8.232 2.496 11.850 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -8.604 4.223 11.871 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -8.898 4.402 15.404 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -8.982 5.305 13.888 1.00 0.00 H new ATOM 113 N ALA A 138 -10.179 -0.494 9.046 1.00 0.00 N ATOM 114 CA ALA A 138 -10.037 -0.776 7.628 1.00 0.00 C ATOM 115 C ALA A 138 -11.022 0.088 6.839 1.00 0.00 C ATOM 116 O ALA A 138 -10.618 0.863 5.972 1.00 0.00 O ATOM 117 CB ALA A 138 -10.244 -2.271 7.380 1.00 0.00 C ATOM 0 H ALA A 138 -10.331 -1.316 9.631 1.00 0.00 H new ATOM 0 HA ALA A 138 -9.033 -0.526 7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -10.137 -2.481 6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -9.500 -2.839 7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -11.242 -2.559 7.709 1.00 0.00 H new ATOM 123 N ASN A 139 -12.296 -0.074 7.166 1.00 0.00 N ATOM 124 CA ASN A 139 -13.341 0.682 6.498 1.00 0.00 C ATOM 125 C ASN A 139 -12.872 2.124 6.293 1.00 0.00 C ATOM 126 O ASN A 139 -13.280 2.784 5.338 1.00 0.00 O ATOM 127 CB ASN A 139 -14.618 0.717 7.340 1.00 0.00 C ATOM 128 CG ASN A 139 -15.593 1.772 6.815 1.00 0.00 C ATOM 129 OD1 ASN A 139 -15.688 2.030 5.626 1.00 0.00 O ATOM 130 ND2 ASN A 139 -16.310 2.367 7.764 1.00 0.00 N ATOM 0 H ASN A 139 -12.628 -0.718 7.885 1.00 0.00 H new ATOM 0 HA ASN A 139 -13.549 0.198 5.544 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -15.095 -0.263 7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -14.367 0.933 8.378 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -16.989 3.087 7.515 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -16.181 2.104 8.741 1.00 0.00 H new ATOM 136 N LEU A 140 -12.019 2.570 7.204 1.00 0.00 N ATOM 137 CA LEU A 140 -11.490 3.921 7.135 1.00 0.00 C ATOM 138 C LEU A 140 -10.310 3.953 6.161 1.00 0.00 C ATOM 139 O LEU A 140 -10.299 4.742 5.219 1.00 0.00 O ATOM 140 CB LEU A 140 -11.145 4.434 8.534 1.00 0.00 C ATOM 141 CG LEU A 140 -11.986 5.607 9.044 1.00 0.00 C ATOM 142 CD1 LEU A 140 -12.447 5.366 10.483 1.00 0.00 C ATOM 143 CD2 LEU A 140 -11.231 6.929 8.897 1.00 0.00 C ATOM 0 H LEU A 140 -11.681 2.019 7.994 1.00 0.00 H new ATOM 0 HA LEU A 140 -12.244 4.605 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -11.245 3.608 9.238 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -10.097 4.734 8.542 1.00 0.00 H new ATOM 0 HG LEU A 140 -12.882 5.679 8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -13.042 6.214 10.821 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -13.050 4.459 10.525 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -11.577 5.253 11.130 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -11.851 7.745 9.267 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -10.307 6.886 9.473 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -10.996 7.099 7.846 1.00 0.00 H new ATOM 154 N LYS A 141 -9.345 3.083 6.423 1.00 0.00 N ATOM 155 CA LYS A 141 -8.163 3.000 5.581 1.00 0.00 C ATOM 156 C LYS A 141 -8.585 2.685 4.145 1.00 0.00 C ATOM 157 O LYS A 141 -8.787 3.592 3.340 1.00 0.00 O ATOM 158 CB LYS A 141 -7.161 2.000 6.162 1.00 0.00 C ATOM 159 CG LYS A 141 -6.725 2.414 7.568 1.00 0.00 C ATOM 160 CD LYS A 141 -5.639 1.478 8.103 1.00 0.00 C ATOM 161 CE LYS A 141 -6.131 0.030 8.137 1.00 0.00 C ATOM 162 NZ LYS A 141 -5.742 -0.620 9.407 1.00 0.00 N ATOM 0 H LYS A 141 -9.358 2.430 7.206 1.00 0.00 H new ATOM 0 HA LYS A 141 -7.644 3.958 5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -7.610 1.007 6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -6.289 1.934 5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -6.351 3.438 7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -7.585 2.400 8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -4.751 1.549 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -5.347 1.790 9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -7.215 0.005 8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -5.712 -0.522 7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -6.084 -1.602 9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -4.706 -0.613 9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -6.162 -0.102 10.205 1.00 0.00 H new ATOM 172 N GLN A 142 -8.707 1.395 3.868 1.00 0.00 N ATOM 173 CA GLN A 142 -9.102 0.948 2.542 1.00 0.00 C ATOM 174 C GLN A 142 -7.942 1.114 1.559 1.00 0.00 C ATOM 175 O GLN A 142 -8.023 1.911 0.626 1.00 0.00 O ATOM 176 CB GLN A 142 -10.343 1.701 2.058 1.00 0.00 C ATOM 177 CG GLN A 142 -11.434 1.706 3.131 1.00 0.00 C ATOM 178 CD GLN A 142 -12.815 1.489 2.508 1.00 0.00 C ATOM 179 OE1 GLN A 142 -12.883 0.438 1.697 1.00 0.00 O flip ATOM 180 NE2 GLN A 142 -13.757 2.227 2.749 1.00 0.00 N flip ATOM 0 H GLN A 142 -8.539 0.645 4.539 1.00 0.00 H new ATOM 0 HA GLN A 142 -9.357 -0.110 2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -10.074 2.726 1.803 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -10.724 1.235 1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -11.234 0.923 3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -11.418 2.655 3.667 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -13.637 3.018 3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -14.665 2.053 2.317 1.00 0.00 H new ATOM 187 N VAL A 143 -6.888 0.348 1.802 1.00 0.00 N ATOM 188 CA VAL A 143 -5.713 0.399 0.949 1.00 0.00 C ATOM 189 C VAL A 143 -5.358 1.860 0.665 1.00 0.00 C ATOM 190 O VAL A 143 -5.882 2.458 -0.274 1.00 0.00 O ATOM 191 CB VAL A 143 -5.953 -0.416 -0.322 1.00 0.00 C ATOM 192 CG1 VAL A 143 -5.153 0.150 -1.497 1.00 0.00 C ATOM 193 CG2 VAL A 143 -5.624 -1.894 -0.097 1.00 0.00 C ATOM 0 H VAL A 143 -6.824 -0.311 2.578 1.00 0.00 H new ATOM 0 HA VAL A 143 -4.857 -0.052 1.451 1.00 0.00 H new ATOM 0 HB VAL A 143 -7.012 -0.342 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -5.342 -0.449 -2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -5.456 1.181 -1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -4.089 0.122 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -5.804 -2.451 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -4.577 -1.994 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -6.257 -2.291 0.697 1.00 0.00 H new ATOM 203 N LYS A 144 -4.471 2.392 1.492 1.00 0.00 N ATOM 204 CA LYS A 144 -4.040 3.772 1.341 1.00 0.00 C ATOM 205 C LYS A 144 -2.589 3.902 1.809 1.00 0.00 C ATOM 206 O LYS A 144 -2.217 3.360 2.849 1.00 0.00 O ATOM 207 CB LYS A 144 -5.006 4.716 2.059 1.00 0.00 C ATOM 208 CG LYS A 144 -4.910 4.548 3.578 1.00 0.00 C ATOM 209 CD LYS A 144 -5.888 5.480 4.295 1.00 0.00 C ATOM 210 CE LYS A 144 -5.571 5.561 5.789 1.00 0.00 C ATOM 211 NZ LYS A 144 -6.772 5.970 6.552 1.00 0.00 N ATOM 0 H LYS A 144 -4.038 1.893 2.269 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.064 4.067 0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -4.780 5.748 1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -6.026 4.516 1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -5.124 3.514 3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -3.893 4.759 3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -5.837 6.476 3.854 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -6.908 5.121 4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -5.219 4.593 6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -4.765 6.275 5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -6.691 6.973 6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -7.619 5.834 5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -6.851 5.391 7.412 1.00 0.00 H new ATOM 221 N LYS A 145 -1.809 4.626 1.020 1.00 0.00 N ATOM 222 CA LYS A 145 -0.407 4.834 1.341 1.00 0.00 C ATOM 223 C LYS A 145 0.114 6.047 0.566 1.00 0.00 C ATOM 224 O LYS A 145 -0.669 6.873 0.100 1.00 0.00 O ATOM 225 CB LYS A 145 0.395 3.556 1.094 1.00 0.00 C ATOM 226 CG LYS A 145 0.499 3.254 -0.402 1.00 0.00 C ATOM 227 CD LYS A 145 1.635 2.269 -0.686 1.00 0.00 C ATOM 228 CE LYS A 145 2.488 2.743 -1.865 1.00 0.00 C ATOM 229 NZ LYS A 145 3.179 4.008 -1.530 1.00 0.00 N ATOM 0 H LYS A 145 -2.121 5.076 0.159 1.00 0.00 H new ATOM 0 HA LYS A 145 -0.288 5.057 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 145 1.394 3.662 1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -0.081 2.719 1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 145 -0.444 2.840 -0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 145 0.669 4.179 -0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 145 2.260 2.163 0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 145 1.222 1.284 -0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 145 3.221 1.978 -2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 145 1.858 2.887 -2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 4.063 4.075 -2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 2.564 4.813 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 3.396 4.026 -0.513 1.00 0.00 H new ATOM 239 N GLU A 146 1.432 6.115 0.452 1.00 0.00 N ATOM 240 CA GLU A 146 2.066 7.212 -0.258 1.00 0.00 C ATOM 241 C GLU A 146 3.586 7.139 -0.098 1.00 0.00 C ATOM 242 O GLU A 146 4.328 7.559 -0.985 1.00 0.00 O ATOM 243 CB GLU A 146 1.528 8.560 0.222 1.00 0.00 C ATOM 244 CG GLU A 146 0.544 9.150 -0.789 1.00 0.00 C ATOM 245 CD GLU A 146 -0.524 9.993 -0.089 1.00 0.00 C ATOM 246 OE1 GLU A 146 -0.157 11.085 0.396 1.00 0.00 O ATOM 247 OE2 GLU A 146 -1.683 9.526 -0.053 1.00 0.00 O ATOM 0 H GLU A 146 2.078 5.428 0.840 1.00 0.00 H new ATOM 0 HA GLU A 146 1.827 7.120 -1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 146 1.034 8.436 1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 146 2.356 9.252 0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 146 1.083 9.765 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 146 0.068 8.346 -1.350 1.00 0.00 H new ATOM 252 N ASP A 147 4.004 6.604 1.040 1.00 0.00 N ATOM 253 CA ASP A 147 5.423 6.472 1.327 1.00 0.00 C ATOM 254 C ASP A 147 5.636 5.300 2.287 1.00 0.00 C ATOM 255 O ASP A 147 4.721 4.911 3.011 1.00 0.00 O ATOM 256 CB ASP A 147 5.969 7.735 1.994 1.00 0.00 C ATOM 257 CG ASP A 147 6.193 8.920 1.051 1.00 0.00 C ATOM 258 OD1 ASP A 147 7.189 8.865 0.298 1.00 0.00 O ATOM 259 OD2 ASP A 147 5.363 9.853 1.105 1.00 0.00 O ATOM 0 H ASP A 147 3.386 6.257 1.774 1.00 0.00 H new ATOM 0 HA ASP A 147 5.945 6.308 0.384 1.00 0.00 H new ATOM 0 HB2 ASP A 147 5.278 8.041 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 147 6.915 7.492 2.479 1.00 0.00 H new ATOM 263 N THR A 148 6.851 4.771 2.263 1.00 0.00 N ATOM 264 CA THR A 148 7.196 3.652 3.122 1.00 0.00 C ATOM 265 C THR A 148 6.587 3.839 4.513 1.00 0.00 C ATOM 266 O THR A 148 6.054 2.894 5.094 1.00 0.00 O ATOM 267 CB THR A 148 8.721 3.521 3.139 1.00 0.00 C ATOM 268 OG1 THR A 148 8.995 2.804 4.340 1.00 0.00 O ATOM 269 CG2 THR A 148 9.421 4.866 3.340 1.00 0.00 C ATOM 0 H THR A 148 7.608 5.097 1.662 1.00 0.00 H new ATOM 0 HA THR A 148 6.779 2.719 2.742 1.00 0.00 H new ATOM 0 HB THR A 148 9.057 3.073 2.204 1.00 0.00 H new ATOM 0 HG1 THR A 148 9.962 2.673 4.430 1.00 0.00 H new ATOM 0 HG21 THR A 148 10.501 4.717 3.344 1.00 0.00 H new ATOM 0 HG22 THR A 148 9.151 5.542 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 148 9.111 5.299 4.291 1.00 0.00 H new ATOM 277 N GLU A 149 6.687 5.064 5.008 1.00 0.00 N ATOM 278 CA GLU A 149 6.153 5.387 6.320 1.00 0.00 C ATOM 279 C GLU A 149 4.635 5.565 6.245 1.00 0.00 C ATOM 280 O GLU A 149 3.919 5.227 7.188 1.00 0.00 O ATOM 281 CB GLU A 149 6.823 6.637 6.892 1.00 0.00 C ATOM 282 CG GLU A 149 6.867 7.760 5.854 1.00 0.00 C ATOM 283 CD GLU A 149 6.612 9.121 6.507 1.00 0.00 C ATOM 284 OE1 GLU A 149 5.852 9.140 7.499 1.00 0.00 O ATOM 285 OE2 GLU A 149 7.183 10.110 5.999 1.00 0.00 O ATOM 0 H GLU A 149 7.130 5.845 4.524 1.00 0.00 H new ATOM 0 HA GLU A 149 6.370 4.558 6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 149 6.279 6.974 7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 149 7.836 6.396 7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 149 7.839 7.766 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 149 6.119 7.577 5.083 1.00 0.00 H new ATOM 290 N LYS A 150 4.187 6.095 5.116 1.00 0.00 N ATOM 291 CA LYS A 150 2.768 6.322 4.906 1.00 0.00 C ATOM 292 C LYS A 150 2.174 5.138 4.139 1.00 0.00 C ATOM 293 O LYS A 150 2.086 5.170 2.914 1.00 0.00 O ATOM 294 CB LYS A 150 2.535 7.673 4.227 1.00 0.00 C ATOM 295 CG LYS A 150 2.332 8.780 5.264 1.00 0.00 C ATOM 296 CD LYS A 150 3.659 9.163 5.924 1.00 0.00 C ATOM 297 CE LYS A 150 4.195 10.478 5.354 1.00 0.00 C ATOM 298 NZ LYS A 150 4.286 11.505 6.415 1.00 0.00 N ATOM 0 H LYS A 150 4.783 6.374 4.337 1.00 0.00 H new ATOM 0 HA LYS A 150 2.247 6.378 5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 150 3.387 7.917 3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 150 1.661 7.612 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.894 9.656 4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 150 1.626 8.446 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 150 3.519 9.259 7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 150 4.390 8.370 5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 150 5.178 10.315 4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 150 3.541 10.829 4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 4.761 12.351 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 3.330 11.758 6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 4.832 11.129 7.216 1.00 0.00 H new ATOM 308 N GLU A 151 1.782 4.122 4.895 1.00 0.00 N ATOM 309 CA GLU A 151 1.199 2.930 4.301 1.00 0.00 C ATOM 310 C GLU A 151 0.093 2.377 5.200 1.00 0.00 C ATOM 311 O GLU A 151 0.211 2.405 6.425 1.00 0.00 O ATOM 312 CB GLU A 151 2.271 1.872 4.034 1.00 0.00 C ATOM 313 CG GLU A 151 2.529 1.721 2.534 1.00 0.00 C ATOM 314 CD GLU A 151 3.481 0.555 2.257 1.00 0.00 C ATOM 315 OE1 GLU A 151 4.525 0.500 2.941 1.00 0.00 O ATOM 316 OE2 GLU A 151 3.143 -0.255 1.367 1.00 0.00 O ATOM 0 H GLU A 151 1.857 4.100 5.912 1.00 0.00 H new ATOM 0 HA GLU A 151 0.758 3.202 3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 151 3.196 2.150 4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 151 1.955 0.916 4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 151 1.585 1.557 2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 151 2.954 2.644 2.140 1.00 0.00 H new ATOM 321 N LYS A 152 -0.958 1.887 4.560 1.00 0.00 N ATOM 322 CA LYS A 152 -2.085 1.327 5.286 1.00 0.00 C ATOM 323 C LYS A 152 -2.669 0.159 4.491 1.00 0.00 C ATOM 324 O LYS A 152 -3.344 0.365 3.482 1.00 0.00 O ATOM 325 CB LYS A 152 -3.105 2.419 5.615 1.00 0.00 C ATOM 326 CG LYS A 152 -2.787 3.080 6.957 1.00 0.00 C ATOM 327 CD LYS A 152 -2.063 4.413 6.754 1.00 0.00 C ATOM 328 CE LYS A 152 -2.176 5.294 8.000 1.00 0.00 C ATOM 329 NZ LYS A 152 -1.326 4.764 9.088 1.00 0.00 N ATOM 0 H LYS A 152 -1.053 1.866 3.545 1.00 0.00 H new ATOM 0 HA LYS A 152 -1.759 0.927 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -3.105 3.171 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -4.106 1.989 5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -3.710 3.244 7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -2.168 2.413 7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -1.013 4.230 6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -2.487 4.934 5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -1.876 6.314 7.760 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -3.214 5.337 8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -1.414 5.374 9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -1.631 3.799 9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -0.334 4.746 8.776 1.00 0.00 H new ATOM 339 N ASP A 153 -2.390 -1.043 4.974 1.00 0.00 N ATOM 340 CA ASP A 153 -2.880 -2.245 4.320 1.00 0.00 C ATOM 341 C ASP A 153 -3.917 -2.922 5.218 1.00 0.00 C ATOM 342 O ASP A 153 -3.787 -2.911 6.441 1.00 0.00 O ATOM 343 CB ASP A 153 -1.744 -3.241 4.077 1.00 0.00 C ATOM 344 CG ASP A 153 -2.158 -4.713 4.107 1.00 0.00 C ATOM 345 OD1 ASP A 153 -3.239 -5.010 3.554 1.00 0.00 O ATOM 346 OD2 ASP A 153 -1.384 -5.509 4.683 1.00 0.00 O ATOM 0 H ASP A 153 -1.831 -1.210 5.811 1.00 0.00 H new ATOM 0 HA ASP A 153 -3.317 -1.955 3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -1.293 -3.026 3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -0.973 -3.081 4.830 1.00 0.00 H new ATOM 350 N LEU A 154 -4.925 -3.493 4.576 1.00 0.00 N ATOM 351 CA LEU A 154 -5.986 -4.173 5.301 1.00 0.00 C ATOM 352 C LEU A 154 -6.105 -5.610 4.792 1.00 0.00 C ATOM 353 O LEU A 154 -5.227 -6.096 4.081 1.00 0.00 O ATOM 354 CB LEU A 154 -7.290 -3.378 5.212 1.00 0.00 C ATOM 355 CG LEU A 154 -7.291 -2.196 4.242 1.00 0.00 C ATOM 356 CD1 LEU A 154 -6.243 -1.156 4.643 1.00 0.00 C ATOM 357 CD2 LEU A 154 -7.104 -2.670 2.799 1.00 0.00 C ATOM 0 H LEU A 154 -5.030 -3.499 3.561 1.00 0.00 H new ATOM 0 HA LEU A 154 -5.747 -4.230 6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -8.089 -4.060 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.534 -3.006 6.207 1.00 0.00 H new ATOM 0 HG LEU A 154 -8.265 -1.710 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.265 -0.326 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -6.462 -0.786 5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.254 -1.614 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.109 -1.810 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.153 -3.195 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -7.917 -3.344 2.529 1.00 0.00 H new ATOM 368 N ARG A 155 -7.200 -6.251 5.175 1.00 0.00 N ATOM 369 CA ARG A 155 -7.446 -7.623 4.765 1.00 0.00 C ATOM 370 C ARG A 155 -7.237 -7.773 3.257 1.00 0.00 C ATOM 371 O ARG A 155 -6.920 -8.860 2.776 1.00 0.00 O ATOM 372 CB ARG A 155 -8.869 -8.057 5.122 1.00 0.00 C ATOM 373 CG ARG A 155 -9.859 -6.908 4.923 1.00 0.00 C ATOM 374 CD ARG A 155 -10.532 -6.529 6.244 1.00 0.00 C ATOM 375 NE ARG A 155 -9.530 -6.503 7.332 1.00 0.00 N ATOM 376 CZ ARG A 155 -9.783 -6.074 8.576 1.00 0.00 C ATOM 377 NH1 ARG A 155 -11.006 -5.632 8.897 1.00 0.00 N ATOM 378 NH2 ARG A 155 -8.812 -6.087 9.500 1.00 0.00 N ATOM 0 H ARG A 155 -7.927 -5.845 5.765 1.00 0.00 H new ATOM 0 HA ARG A 155 -6.739 -8.260 5.297 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -9.161 -8.905 4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -8.901 -8.394 6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -9.339 -6.042 4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -10.617 -7.198 4.195 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -11.007 -5.552 6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -11.319 -7.246 6.480 1.00 0.00 H new ATOM 0 HE ARG A 155 -8.588 -6.832 7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -11.745 -5.622 8.194 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -11.198 -5.306 9.844 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -7.880 -6.423 9.256 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -9.005 -5.760 10.447 1.00 0.00 H new ATOM 389 N ASP A 156 -7.421 -6.666 2.554 1.00 0.00 N ATOM 390 CA ASP A 156 -7.256 -6.661 1.110 1.00 0.00 C ATOM 391 C ASP A 156 -5.767 -6.760 0.771 1.00 0.00 C ATOM 392 O ASP A 156 -5.391 -6.739 -0.400 1.00 0.00 O ATOM 393 CB ASP A 156 -7.795 -5.366 0.498 1.00 0.00 C ATOM 394 CG ASP A 156 -8.093 -5.434 -1.000 1.00 0.00 C ATOM 395 OD1 ASP A 156 -7.182 -5.862 -1.741 1.00 0.00 O ATOM 396 OD2 ASP A 156 -9.225 -5.056 -1.372 1.00 0.00 O ATOM 0 H ASP A 156 -7.683 -5.766 2.957 1.00 0.00 H new ATOM 0 HA ASP A 156 -7.809 -7.509 0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -8.709 -5.087 1.023 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -7.071 -4.570 0.673 1.00 0.00 H new ATOM 400 N VAL A 157 -4.960 -6.864 1.817 1.00 0.00 N ATOM 401 CA VAL A 157 -3.522 -6.966 1.644 1.00 0.00 C ATOM 402 C VAL A 157 -3.219 -7.664 0.317 1.00 0.00 C ATOM 403 O VAL A 157 -2.770 -7.029 -0.635 1.00 0.00 O ATOM 404 CB VAL A 157 -2.899 -7.676 2.848 1.00 0.00 C ATOM 405 CG1 VAL A 157 -3.888 -8.659 3.477 1.00 0.00 C ATOM 406 CG2 VAL A 157 -1.598 -8.381 2.457 1.00 0.00 C ATOM 0 H VAL A 157 -5.275 -6.880 2.787 1.00 0.00 H new ATOM 0 HA VAL A 157 -3.072 -5.974 1.599 1.00 0.00 H new ATOM 0 HB VAL A 157 -2.658 -6.919 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -3.420 -9.150 4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -4.775 -8.120 3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -4.175 -9.409 2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 157 -1.176 -8.877 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -1.803 -9.121 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -0.886 -7.648 2.078 1.00 0.00 H new ATOM 416 N GLY A 158 -3.478 -8.964 0.297 1.00 0.00 N ATOM 417 CA GLY A 158 -3.239 -9.755 -0.899 1.00 0.00 C ATOM 418 C GLY A 158 -2.012 -9.248 -1.658 1.00 0.00 C ATOM 419 O GLY A 158 -0.990 -8.931 -1.051 1.00 0.00 O ATOM 0 H GLY A 158 -3.850 -9.488 1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -3.095 -10.800 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -4.114 -9.713 -1.547 1.00 0.00 H new ATOM 423 N ASP A 159 -2.154 -9.185 -2.973 1.00 0.00 N ATOM 424 CA ASP A 159 -1.069 -8.720 -3.821 1.00 0.00 C ATOM 425 C ASP A 159 -0.816 -7.235 -3.551 1.00 0.00 C ATOM 426 O ASP A 159 0.328 -6.819 -3.374 1.00 0.00 O ATOM 427 CB ASP A 159 -1.420 -8.878 -5.302 1.00 0.00 C ATOM 428 CG ASP A 159 -0.918 -10.169 -5.951 1.00 0.00 C ATOM 429 OD1 ASP A 159 0.294 -10.439 -5.812 1.00 0.00 O ATOM 430 OD2 ASP A 159 -1.758 -10.856 -6.573 1.00 0.00 O ATOM 0 H ASP A 159 -3.003 -9.448 -3.473 1.00 0.00 H new ATOM 0 HA ASP A 159 -0.185 -9.317 -3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -2.504 -8.832 -5.410 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -1.009 -8.030 -5.850 1.00 0.00 H new ATOM 434 N TRP A 160 -1.903 -6.477 -3.528 1.00 0.00 N ATOM 435 CA TRP A 160 -1.813 -5.048 -3.282 1.00 0.00 C ATOM 436 C TRP A 160 -0.695 -4.812 -2.266 1.00 0.00 C ATOM 437 O TRP A 160 0.346 -4.250 -2.602 1.00 0.00 O ATOM 438 CB TRP A 160 -3.161 -4.484 -2.830 1.00 0.00 C ATOM 439 CG TRP A 160 -3.124 -3.810 -1.457 1.00 0.00 C ATOM 440 CD1 TRP A 160 -3.524 -4.314 -0.281 1.00 0.00 C ATOM 441 CD2 TRP A 160 -2.643 -2.482 -1.163 1.00 0.00 C ATOM 442 NE1 TRP A 160 -3.337 -3.410 0.746 1.00 0.00 N ATOM 443 CE2 TRP A 160 -2.784 -2.260 0.192 1.00 0.00 C ATOM 444 CE3 TRP A 160 -2.107 -1.500 -2.014 1.00 0.00 C ATOM 445 CZ2 TRP A 160 -2.412 -1.064 0.815 1.00 0.00 C ATOM 446 CZ3 TRP A 160 -1.741 -0.309 -1.376 1.00 0.00 C ATOM 447 CH2 TRP A 160 -1.876 -0.071 -0.013 1.00 0.00 C ATOM 0 H TRP A 160 -2.850 -6.826 -3.676 1.00 0.00 H new ATOM 0 HA TRP A 160 -1.567 -4.514 -4.200 1.00 0.00 H new ATOM 0 HB2 TRP A 160 -3.507 -3.761 -3.569 1.00 0.00 H new ATOM 0 HB3 TRP A 160 -3.892 -5.292 -2.807 1.00 0.00 H new ATOM 0 HD1 TRP A 160 -3.940 -5.302 -0.153 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -3.563 -3.558 1.730 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -1.987 -1.652 -3.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.532 -0.915 1.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -1.325 0.480 -1.985 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -1.569 0.876 0.405 1.00 0.00 H new ATOM 457 N ARG A 161 -0.948 -5.254 -1.043 1.00 0.00 N ATOM 458 CA ARG A 161 0.025 -5.098 0.025 1.00 0.00 C ATOM 459 C ARG A 161 1.382 -5.658 -0.407 1.00 0.00 C ATOM 460 O ARG A 161 2.318 -4.901 -0.661 1.00 0.00 O ATOM 461 CB ARG A 161 -0.433 -5.814 1.297 1.00 0.00 C ATOM 462 CG ARG A 161 0.698 -5.882 2.326 1.00 0.00 C ATOM 463 CD ARG A 161 1.475 -7.193 2.201 1.00 0.00 C ATOM 464 NE ARG A 161 1.771 -7.736 3.546 1.00 0.00 N ATOM 465 CZ ARG A 161 2.410 -8.894 3.765 1.00 0.00 C ATOM 466 NH1 ARG A 161 2.824 -9.637 2.730 1.00 0.00 N ATOM 467 NH2 ARG A 161 2.635 -9.308 5.019 1.00 0.00 N ATOM 0 H ARG A 161 -1.813 -5.720 -0.768 1.00 0.00 H new ATOM 0 HA ARG A 161 0.118 -4.033 0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -1.288 -5.291 1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -0.767 -6.822 1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 161 1.375 -5.039 2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 161 0.286 -5.794 3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 161 0.895 -7.916 1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 161 2.403 -7.025 1.655 1.00 0.00 H new ATOM 0 HE ARG A 161 1.470 -7.195 4.357 1.00 0.00 H new ATOM 0 HH11 ARG A 161 2.653 -9.322 1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 161 3.310 -10.518 2.897 1.00 0.00 H new ATOM 0 HH21 ARG A 161 2.320 -8.742 5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 161 3.121 -10.189 5.186 1.00 0.00 H new ATOM 478 N LYS A 162 1.447 -6.979 -0.476 1.00 0.00 N ATOM 479 CA LYS A 162 2.673 -7.649 -0.874 1.00 0.00 C ATOM 480 C LYS A 162 3.535 -6.683 -1.689 1.00 0.00 C ATOM 481 O LYS A 162 4.716 -6.502 -1.397 1.00 0.00 O ATOM 482 CB LYS A 162 2.359 -8.957 -1.601 1.00 0.00 C ATOM 483 CG LYS A 162 3.292 -9.159 -2.796 1.00 0.00 C ATOM 484 CD LYS A 162 4.706 -9.510 -2.334 1.00 0.00 C ATOM 485 CE LYS A 162 4.768 -10.939 -1.793 1.00 0.00 C ATOM 486 NZ LYS A 162 5.853 -11.698 -2.455 1.00 0.00 N ATOM 0 H LYS A 162 0.670 -7.604 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 162 3.254 -7.933 0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 162 2.461 -9.794 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 162 1.323 -8.948 -1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 162 2.906 -9.955 -3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 162 3.318 -8.252 -3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 162 5.401 -9.402 -3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 162 5.024 -8.811 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 162 4.935 -10.919 -0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 162 3.813 -11.438 -1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 5.881 -12.666 -2.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 5.677 -11.732 -3.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 6.764 -11.230 -2.275 1.00 0.00 H new ATOM 496 N ASN A 163 2.911 -6.091 -2.697 1.00 0.00 N ATOM 497 CA ASN A 163 3.606 -5.149 -3.557 1.00 0.00 C ATOM 498 C ASN A 163 4.052 -3.941 -2.730 1.00 0.00 C ATOM 499 O ASN A 163 5.202 -3.867 -2.302 1.00 0.00 O ATOM 500 CB ASN A 163 2.692 -4.645 -4.675 1.00 0.00 C ATOM 501 CG ASN A 163 2.652 -5.637 -5.840 1.00 0.00 C ATOM 502 OD1 ASN A 163 3.478 -6.527 -5.960 1.00 0.00 O ATOM 503 ND2 ASN A 163 1.648 -5.435 -6.689 1.00 0.00 N ATOM 0 H ASN A 163 1.932 -6.246 -2.937 1.00 0.00 H new ATOM 0 HA ASN A 163 4.462 -5.662 -3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 163 1.685 -4.494 -4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 163 3.045 -3.677 -5.029 1.00 0.00 H new ATOM 0 HD21 ASN A 163 1.535 -6.044 -7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 163 0.991 -4.671 -6.530 1.00 0.00 H new ATOM 509 N ILE A 164 3.115 -3.024 -2.530 1.00 0.00 N ATOM 510 CA ILE A 164 3.397 -1.824 -1.762 1.00 0.00 C ATOM 511 C ILE A 164 4.242 -2.191 -0.541 1.00 0.00 C ATOM 512 O ILE A 164 5.318 -1.632 -0.336 1.00 0.00 O ATOM 513 CB ILE A 164 2.097 -1.094 -1.414 1.00 0.00 C ATOM 514 CG1 ILE A 164 1.070 -2.059 -0.817 1.00 0.00 C ATOM 515 CG2 ILE A 164 1.544 -0.348 -2.630 1.00 0.00 C ATOM 516 CD1 ILE A 164 0.962 -1.876 0.698 1.00 0.00 C ATOM 0 H ILE A 164 2.161 -3.089 -2.886 1.00 0.00 H new ATOM 0 HA ILE A 164 3.982 -1.121 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 164 2.318 -0.347 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 164 0.097 -1.890 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 164 1.356 -3.086 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 164 0.621 0.162 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 164 2.275 0.385 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 164 1.342 -1.058 -3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 164 0.226 -2.574 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 164 1.931 -2.069 1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 164 0.652 -0.855 0.920 1.00 0.00 H new ATOM 527 N GLU A 165 3.722 -3.128 0.238 1.00 0.00 N ATOM 528 CA GLU A 165 4.417 -3.577 1.434 1.00 0.00 C ATOM 529 C GLU A 165 5.921 -3.672 1.170 1.00 0.00 C ATOM 530 O GLU A 165 6.721 -3.094 1.904 1.00 0.00 O ATOM 531 CB GLU A 165 3.859 -4.915 1.921 1.00 0.00 C ATOM 532 CG GLU A 165 3.389 -4.816 3.374 1.00 0.00 C ATOM 533 CD GLU A 165 4.571 -4.582 4.318 1.00 0.00 C ATOM 534 OE1 GLU A 165 5.184 -5.593 4.721 1.00 0.00 O ATOM 535 OE2 GLU A 165 4.833 -3.396 4.615 1.00 0.00 O ATOM 0 H GLU A 165 2.829 -3.589 0.065 1.00 0.00 H new ATOM 0 HA GLU A 165 4.253 -2.844 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 165 3.027 -5.219 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 165 4.625 -5.686 1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 165 2.673 -4.001 3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 165 2.870 -5.732 3.655 1.00 0.00 H new ATOM 540 N GLU A 166 6.259 -4.405 0.120 1.00 0.00 N ATOM 541 CA GLU A 166 7.653 -4.584 -0.250 1.00 0.00 C ATOM 542 C GLU A 166 8.206 -3.301 -0.874 1.00 0.00 C ATOM 543 O GLU A 166 9.094 -2.665 -0.310 1.00 0.00 O ATOM 544 CB GLU A 166 7.821 -5.772 -1.199 1.00 0.00 C ATOM 545 CG GLU A 166 8.250 -7.026 -0.436 1.00 0.00 C ATOM 546 CD GLU A 166 9.767 -7.054 -0.236 1.00 0.00 C ATOM 547 OE1 GLU A 166 10.228 -6.374 0.705 1.00 0.00 O ATOM 548 OE2 GLU A 166 10.431 -7.756 -1.029 1.00 0.00 O ATOM 0 H GLU A 166 5.592 -4.882 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 166 8.223 -4.800 0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 166 6.882 -5.962 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 166 8.564 -5.532 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 166 7.751 -7.055 0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 166 7.935 -7.915 -0.983 1.00 0.00 H new ATOM 553 N LYS A 167 7.655 -2.959 -2.030 1.00 0.00 N ATOM 554 CA LYS A 167 8.082 -1.763 -2.737 1.00 0.00 C ATOM 555 C LYS A 167 8.357 -0.649 -1.725 1.00 0.00 C ATOM 556 O LYS A 167 9.512 -0.330 -1.447 1.00 0.00 O ATOM 557 CB LYS A 167 7.059 -1.382 -3.810 1.00 0.00 C ATOM 558 CG LYS A 167 7.458 -1.950 -5.173 1.00 0.00 C ATOM 559 CD LYS A 167 6.882 -1.102 -6.309 1.00 0.00 C ATOM 560 CE LYS A 167 7.730 -1.234 -7.575 1.00 0.00 C ATOM 561 NZ LYS A 167 6.868 -1.248 -8.779 1.00 0.00 N ATOM 0 H LYS A 167 6.917 -3.489 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 167 9.015 -1.947 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 167 6.075 -1.758 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 167 6.980 -0.297 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 167 8.545 -1.983 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 167 7.101 -2.976 -5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 167 5.859 -1.414 -6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 167 6.840 -0.057 -6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 167 8.435 -0.405 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 167 8.318 -2.150 -7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 7.460 -1.338 -9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 6.212 -2.053 -8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 6.325 -0.362 -8.828 1.00 0.00 H new ATOM 571 N SER A 168 7.277 -0.088 -1.203 1.00 0.00 N ATOM 572 CA SER A 168 7.387 0.985 -0.228 1.00 0.00 C ATOM 573 C SER A 168 8.545 0.702 0.731 1.00 0.00 C ATOM 574 O SER A 168 9.521 1.451 0.768 1.00 0.00 O ATOM 575 CB SER A 168 6.082 1.157 0.552 1.00 0.00 C ATOM 576 OG SER A 168 5.659 2.516 0.591 1.00 0.00 O ATOM 0 H SER A 168 6.321 -0.356 -1.436 1.00 0.00 H new ATOM 0 HA SER A 168 7.584 1.914 -0.762 1.00 0.00 H new ATOM 0 HB2 SER A 168 5.303 0.548 0.094 1.00 0.00 H new ATOM 0 HB3 SER A 168 6.217 0.790 1.569 1.00 0.00 H new ATOM 0 HG SER A 168 5.059 2.650 1.355 1.00 0.00 H new ATOM 581 N GLY A 169 8.399 -0.378 1.482 1.00 0.00 N ATOM 582 CA GLY A 169 9.421 -0.769 2.439 1.00 0.00 C ATOM 583 C GLY A 169 10.819 -0.639 1.832 1.00 0.00 C ATOM 584 O GLY A 169 11.618 0.187 2.272 1.00 0.00 O ATOM 0 H GLY A 169 7.588 -0.996 1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 169 9.348 -0.145 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 169 9.253 -1.798 2.756 1.00 0.00 H new ATOM 588 N MET A 170 11.073 -1.466 0.828 1.00 0.00 N ATOM 589 CA MET A 170 12.360 -1.455 0.156 1.00 0.00 C ATOM 590 C MET A 170 12.692 -0.057 -0.371 1.00 0.00 C ATOM 591 O MET A 170 13.856 0.264 -0.600 1.00 0.00 O ATOM 592 CB MET A 170 12.338 -2.447 -1.009 1.00 0.00 C ATOM 593 CG MET A 170 13.720 -2.566 -1.655 1.00 0.00 C ATOM 594 SD MET A 170 13.580 -3.341 -3.257 1.00 0.00 S ATOM 595 CE MET A 170 13.856 -5.045 -2.802 1.00 0.00 C ATOM 0 H MET A 170 10.408 -2.148 0.464 1.00 0.00 H new ATOM 0 HA MET A 170 13.126 -1.744 0.876 1.00 0.00 H new ATOM 0 HB2 MET A 170 12.014 -3.425 -0.652 1.00 0.00 H new ATOM 0 HB3 MET A 170 11.611 -2.122 -1.754 1.00 0.00 H new ATOM 0 HG2 MET A 170 14.169 -1.578 -1.758 1.00 0.00 H new ATOM 0 HG3 MET A 170 14.381 -3.151 -1.015 1.00 0.00 H new ATOM 0 HE1 MET A 170 13.802 -5.672 -3.692 1.00 0.00 H new ATOM 0 HE2 MET A 170 14.841 -5.145 -2.346 1.00 0.00 H new ATOM 0 HE3 MET A 170 13.093 -5.360 -2.090 1.00 0.00 H new ATOM 603 N GLU A 171 11.646 0.737 -0.547 1.00 0.00 N ATOM 604 CA GLU A 171 11.811 2.094 -1.042 1.00 0.00 C ATOM 605 C GLU A 171 12.386 2.992 0.055 1.00 0.00 C ATOM 606 O GLU A 171 13.373 3.693 -0.167 1.00 0.00 O ATOM 607 CB GLU A 171 10.486 2.650 -1.567 1.00 0.00 C ATOM 608 CG GLU A 171 10.638 3.165 -3.000 1.00 0.00 C ATOM 609 CD GLU A 171 9.347 3.830 -3.483 1.00 0.00 C ATOM 610 OE1 GLU A 171 8.304 3.141 -3.443 1.00 0.00 O ATOM 611 OE2 GLU A 171 9.432 5.011 -3.881 1.00 0.00 O ATOM 0 H GLU A 171 10.681 0.467 -0.356 1.00 0.00 H new ATOM 0 HA GLU A 171 12.514 2.074 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 171 9.723 1.872 -1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 171 10.145 3.458 -0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 171 11.460 3.880 -3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 171 10.895 2.338 -3.662 1.00 0.00 H new ATOM 616 N GLY A 172 11.746 2.943 1.213 1.00 0.00 N ATOM 617 CA GLY A 172 12.182 3.744 2.345 1.00 0.00 C ATOM 618 C GLY A 172 13.599 3.359 2.775 1.00 0.00 C ATOM 619 O GLY A 172 14.378 4.213 3.192 1.00 0.00 O ATOM 0 H GLY A 172 10.928 2.361 1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 172 12.153 4.801 2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 172 11.495 3.606 3.179 1.00 0.00 H new ATOM 623 N ARG A 173 13.887 2.070 2.661 1.00 0.00 N ATOM 624 CA ARG A 173 15.196 1.561 3.034 1.00 0.00 C ATOM 625 C ARG A 173 16.234 1.941 1.976 1.00 0.00 C ATOM 626 O ARG A 173 17.096 2.782 2.222 1.00 0.00 O ATOM 627 CB ARG A 173 15.171 0.040 3.191 1.00 0.00 C ATOM 628 CG ARG A 173 14.537 -0.364 4.525 1.00 0.00 C ATOM 629 CD ARG A 173 14.816 -1.834 4.841 1.00 0.00 C ATOM 630 NE ARG A 173 13.693 -2.406 5.618 1.00 0.00 N ATOM 631 CZ ARG A 173 13.738 -3.588 6.246 1.00 0.00 C ATOM 632 NH1 ARG A 173 14.851 -4.333 6.191 1.00 0.00 N ATOM 633 NH2 ARG A 173 12.670 -4.027 6.927 1.00 0.00 N ATOM 0 H ARG A 173 13.237 1.364 2.316 1.00 0.00 H new ATOM 0 HA ARG A 173 15.466 2.009 3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 173 14.611 -0.405 2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 173 16.187 -0.352 3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 173 14.930 0.265 5.324 1.00 0.00 H new ATOM 0 HG3 ARG A 173 13.461 -0.194 4.487 1.00 0.00 H new ATOM 0 HD2 ARG A 173 14.952 -2.394 3.916 1.00 0.00 H new ATOM 0 HD3 ARG A 173 15.743 -1.923 5.407 1.00 0.00 H new ATOM 0 HE ARG A 173 12.830 -1.865 5.679 1.00 0.00 H new ATOM 0 HH11 ARG A 173 15.663 -4.000 5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 173 14.886 -5.233 6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 173 11.823 -3.461 6.967 1.00 0.00 H new ATOM 0 HH22 ARG A 173 12.705 -4.927 7.405 1.00 0.00 H new ATOM 644 N LYS A 174 16.117 1.301 0.822 1.00 0.00 N ATOM 645 CA LYS A 174 17.034 1.561 -0.275 1.00 0.00 C ATOM 646 C LYS A 174 17.319 3.062 -0.350 1.00 0.00 C ATOM 647 O LYS A 174 18.446 3.470 -0.627 1.00 0.00 O ATOM 648 CB LYS A 174 16.492 0.970 -1.578 1.00 0.00 C ATOM 649 CG LYS A 174 15.621 1.986 -2.320 1.00 0.00 C ATOM 650 CD LYS A 174 16.473 2.887 -3.216 1.00 0.00 C ATOM 651 CE LYS A 174 15.623 3.530 -4.313 1.00 0.00 C ATOM 652 NZ LYS A 174 16.001 2.999 -5.641 1.00 0.00 N ATOM 0 H LYS A 174 15.401 0.603 0.623 1.00 0.00 H new ATOM 0 HA LYS A 174 17.988 1.064 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 174 17.321 0.663 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 174 15.909 0.075 -1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 174 14.880 1.463 -2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 174 15.074 2.595 -1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 174 16.944 3.664 -2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 174 17.275 2.303 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 174 14.567 3.335 -4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 174 15.755 4.612 -4.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 15.414 3.446 -6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 17.003 3.207 -5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 15.852 1.970 -5.659 1.00 0.00 H new ATOM 662 N LYS A 175 16.278 3.843 -0.102 1.00 0.00 N ATOM 663 CA LYS A 175 16.401 5.289 -0.139 1.00 0.00 C ATOM 664 C LYS A 175 17.188 5.761 1.086 1.00 0.00 C ATOM 665 O LYS A 175 18.073 6.608 0.972 1.00 0.00 O ATOM 666 CB LYS A 175 15.024 5.942 -0.274 1.00 0.00 C ATOM 667 CG LYS A 175 15.123 7.463 -0.141 1.00 0.00 C ATOM 668 CD LYS A 175 14.383 7.954 1.105 1.00 0.00 C ATOM 669 CE LYS A 175 15.018 7.389 2.377 1.00 0.00 C ATOM 670 NZ LYS A 175 14.454 8.051 3.575 1.00 0.00 N ATOM 0 H LYS A 175 15.345 3.500 0.126 1.00 0.00 H new ATOM 0 HA LYS A 175 16.963 5.600 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 175 14.589 5.685 -1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 175 14.355 5.549 0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 175 16.171 7.759 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 175 14.703 7.937 -1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 175 14.401 9.043 1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 175 13.336 7.654 1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 175 14.843 6.314 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 175 16.098 7.535 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 14.895 7.656 4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 14.643 9.073 3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 13.427 7.890 3.610 1.00 0.00 H new ATOM 680 N MET A 176 16.836 5.193 2.230 1.00 0.00 N ATOM 681 CA MET A 176 17.498 5.545 3.475 1.00 0.00 C ATOM 682 C MET A 176 19.016 5.596 3.294 1.00 0.00 C ATOM 683 O MET A 176 19.658 6.576 3.669 1.00 0.00 O ATOM 684 CB MET A 176 17.147 4.515 4.550 1.00 0.00 C ATOM 685 CG MET A 176 17.676 4.947 5.918 1.00 0.00 C ATOM 686 SD MET A 176 16.495 6.021 6.719 1.00 0.00 S ATOM 687 CE MET A 176 16.003 4.979 8.082 1.00 0.00 C ATOM 0 H MET A 176 16.101 4.492 2.321 1.00 0.00 H new ATOM 0 HA MET A 176 17.154 6.533 3.780 1.00 0.00 H new ATOM 0 HB2 MET A 176 16.065 4.389 4.598 1.00 0.00 H new ATOM 0 HB3 MET A 176 17.569 3.547 4.282 1.00 0.00 H new ATOM 0 HG2 MET A 176 17.862 4.070 6.539 1.00 0.00 H new ATOM 0 HG3 MET A 176 18.629 5.463 5.802 1.00 0.00 H new ATOM 0 HE1 MET A 176 15.263 5.500 8.689 1.00 0.00 H new ATOM 0 HE2 MET A 176 15.571 4.055 7.696 1.00 0.00 H new ATOM 0 HE3 MET A 176 16.874 4.745 8.694 1.00 0.00 H new ATOM 695 N PHE A 177 19.547 4.527 2.717 1.00 0.00 N ATOM 696 CA PHE A 177 20.979 4.437 2.482 1.00 0.00 C ATOM 697 C PHE A 177 21.339 4.968 1.092 1.00 0.00 C ATOM 698 O PHE A 177 22.024 5.982 0.970 1.00 0.00 O ATOM 699 CB PHE A 177 21.353 2.957 2.562 1.00 0.00 C ATOM 700 CG PHE A 177 20.728 2.220 3.749 1.00 0.00 C ATOM 701 CD1 PHE A 177 19.470 1.714 3.650 1.00 0.00 C ATOM 702 CD2 PHE A 177 21.433 2.073 4.904 1.00 0.00 C ATOM 703 CE1 PHE A 177 18.891 1.031 4.752 1.00 0.00 C ATOM 704 CE2 PHE A 177 20.853 1.390 6.005 1.00 0.00 C ATOM 705 CZ PHE A 177 19.595 0.883 5.907 1.00 0.00 C ATOM 0 H PHE A 177 19.012 3.717 2.406 1.00 0.00 H new ATOM 0 HA PHE A 177 21.516 5.032 3.220 1.00 0.00 H new ATOM 0 HB2 PHE A 177 21.046 2.465 1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 177 22.438 2.870 2.624 1.00 0.00 H new ATOM 0 HD1 PHE A 177 18.911 1.832 2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 177 22.432 2.475 4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 177 17.892 0.629 4.673 1.00 0.00 H new ATOM 0 HE2 PHE A 177 21.412 1.273 6.922 1.00 0.00 H new ATOM 0 HZ PHE A 177 19.155 0.363 6.745 1.00 0.00 H new ATOM 714 N GLU A 178 20.862 4.258 0.081 1.00 0.00 N ATOM 715 CA GLU A 178 21.125 4.645 -1.295 1.00 0.00 C ATOM 716 C GLU A 178 22.569 4.305 -1.674 1.00 0.00 C ATOM 717 O GLU A 178 22.976 4.502 -2.818 1.00 0.00 O ATOM 718 CB GLU A 178 20.837 6.131 -1.511 1.00 0.00 C ATOM 719 CG GLU A 178 19.805 6.333 -2.623 1.00 0.00 C ATOM 720 CD GLU A 178 19.364 7.796 -2.703 1.00 0.00 C ATOM 721 OE1 GLU A 178 19.039 8.350 -1.630 1.00 0.00 O ATOM 722 OE2 GLU A 178 19.361 8.327 -3.834 1.00 0.00 O ATOM 0 H GLU A 178 20.295 3.417 0.187 1.00 0.00 H new ATOM 0 HA GLU A 178 20.456 4.081 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 178 20.470 6.572 -0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 178 21.760 6.651 -1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 178 20.230 6.025 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 178 18.938 5.698 -2.440 1.00 0.00 H new ATOM 727 N ALA A 179 23.302 3.801 -0.692 1.00 0.00 N ATOM 728 CA ALA A 179 24.691 3.434 -0.909 1.00 0.00 C ATOM 729 C ALA A 179 25.331 4.424 -1.884 1.00 0.00 C ATOM 730 O ALA A 179 25.550 4.099 -3.050 1.00 0.00 O ATOM 731 CB ALA A 179 24.764 1.990 -1.412 1.00 0.00 C ATOM 0 H ALA A 179 22.960 3.638 0.255 1.00 0.00 H new ATOM 0 HA ALA A 179 25.251 3.484 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 179 25.806 1.714 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 179 24.324 1.324 -0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 179 24.215 1.903 -2.349 1.00 0.00 H new ATOM 737 N GLY A 180 25.612 5.612 -1.370 1.00 0.00 N ATOM 738 CA GLY A 180 26.223 6.653 -2.181 1.00 0.00 C ATOM 739 C GLY A 180 27.680 6.880 -1.774 1.00 0.00 C ATOM 740 O GLY A 180 28.594 6.342 -2.397 1.00 0.00 O ATOM 0 H GLY A 180 25.428 5.878 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 180 26.175 6.374 -3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 180 25.662 7.581 -2.071 1.00 0.00 H new ATOM 744 N GLU A 181 27.853 7.678 -0.731 1.00 0.00 N ATOM 745 CA GLU A 181 29.183 7.983 -0.234 1.00 0.00 C ATOM 746 C GLU A 181 29.604 6.957 0.820 1.00 0.00 C ATOM 747 O GLU A 181 29.385 7.162 2.013 1.00 0.00 O ATOM 748 CB GLU A 181 29.245 9.405 0.330 1.00 0.00 C ATOM 749 CG GLU A 181 29.684 10.402 -0.745 1.00 0.00 C ATOM 750 CD GLU A 181 30.216 11.690 -0.113 1.00 0.00 C ATOM 751 OE1 GLU A 181 31.326 11.626 0.458 1.00 0.00 O ATOM 752 OE2 GLU A 181 29.501 12.710 -0.217 1.00 0.00 O ATOM 0 H GLU A 181 27.093 8.123 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 181 29.883 7.927 -1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 181 28.267 9.690 0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 181 29.941 9.438 1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 181 30.457 9.953 -1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 181 28.842 10.633 -1.397 1.00 0.00 H new ATOM 757 N SER A 182 30.203 5.877 0.342 1.00 0.00 N ATOM 758 CA SER A 182 30.657 4.818 1.227 1.00 0.00 C ATOM 759 C SER A 182 29.466 4.211 1.971 1.00 0.00 C ATOM 760 O SER A 182 28.688 3.455 1.392 1.00 0.00 O ATOM 761 CB SER A 182 31.695 5.341 2.223 1.00 0.00 C ATOM 762 OG SER A 182 32.440 4.284 2.821 1.00 0.00 O ATOM 0 H SER A 182 30.385 5.712 -0.648 1.00 0.00 H new ATOM 0 HA SER A 182 31.131 4.045 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 182 32.377 6.021 1.713 1.00 0.00 H new ATOM 0 HB3 SER A 182 31.193 5.916 3.001 1.00 0.00 H new ATOM 0 HG SER A 182 33.093 4.658 3.449 1.00 0.00 H new TER 767 SER A 182