USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 589 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-H: A 115 HIS HD1 : A 115 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 65 GLN : amide:sc= -0.375 X(o=-1.3,f=-1.4) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -0.877 X(o=-1.3,f=-0.78) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0803 X(o=-0.08,f=-0.0065) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.591 K(o=-0.59,f=-0.057) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -152:sc= -0.428 (180deg=-1.21!) USER MOD Single : A 90 GLN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= -0.0506 (180deg=-0.329) USER MOD Single : A 92 SER OG : rot 160:sc= -0.208 USER MOD Single : A 94 SER OG : rot 75:sc= 0.553 USER MOD Single : A 95 GLN : amide:sc= -0.266 K(o=-0.27,f=-0.84) USER MOD Single : A 96 LYS NZ :NH3+ 148:sc= -2.73! (180deg=-5.24!) USER MOD Single : A 97 LYS NZ :NH3+ -147:sc= -0.138 (180deg=-0.811) USER MOD Single : A 99 LYS NZ :NH3+ -157:sc= -0.242 (180deg=-0.782) USER MOD Single : A 104 LYS NZ :NH3+ 152:sc= -2.21! (180deg=-3.52!) USER MOD Single : A 105 SER OG : rot -74:sc= 0.225 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 175:sc= -1.38 (180deg=-1.41) USER MOD Single : A 117 ASN : amide:sc=-0.00142 K(o=-0.0014,f=-0.61) USER MOD Single : A 120 GLN : amide:sc= -0.0401 X(o=-0.04,f=-0.37) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 169:sc= -0.303 (180deg=-0.555) USER MOD Single : A 131 SER OG : rot 55:sc= 0.00819 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -18.888 -4.471 9.453 1.00 0.00 N ATOM 2 CA SER A 61 -17.406 -4.391 9.508 1.00 0.00 C ATOM 3 C SER A 61 -16.879 -3.099 8.895 1.00 0.00 C ATOM 4 O SER A 61 -17.254 -2.714 7.785 1.00 0.00 O ATOM 5 CB SER A 61 -16.780 -5.588 8.791 1.00 0.00 C ATOM 6 OG SER A 61 -16.494 -6.633 9.703 1.00 0.00 O ATOM 0 HA SER A 61 -17.125 -4.404 10.561 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.459 -5.950 8.019 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.864 -5.277 8.289 1.00 0.00 H new ATOM 0 HG SER A 61 -16.096 -7.388 9.221 1.00 0.00 H new ATOM 14 N ASN A 62 -16.006 -2.437 9.640 1.00 0.00 N ATOM 15 CA ASN A 62 -15.379 -1.200 9.199 1.00 0.00 C ATOM 16 C ASN A 62 -14.214 -0.866 10.122 1.00 0.00 C ATOM 17 O ASN A 62 -13.922 0.299 10.393 1.00 0.00 O ATOM 18 CB ASN A 62 -16.388 -0.053 9.163 1.00 0.00 C ATOM 19 CG ASN A 62 -15.955 1.055 8.219 1.00 0.00 C ATOM 20 OD1 ASN A 62 -16.106 0.943 7.002 1.00 0.00 O ATOM 21 ND2 ASN A 62 -15.415 2.133 8.776 1.00 0.00 N ATOM 0 H ASN A 62 -15.712 -2.743 10.568 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.005 -1.337 8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.360 -0.435 8.852 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -16.511 0.353 10.167 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.107 2.909 8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.308 2.184 9.789 1.00 0.00 H new ATOM 28 N ALA A 63 -13.559 -1.919 10.599 1.00 0.00 N ATOM 29 CA ALA A 63 -12.415 -1.798 11.491 1.00 0.00 C ATOM 30 C ALA A 63 -11.692 -3.137 11.587 1.00 0.00 C ATOM 31 O ALA A 63 -11.142 -3.491 12.629 1.00 0.00 O ATOM 32 CB ALA A 63 -12.857 -1.327 12.868 1.00 0.00 C ATOM 0 H ALA A 63 -13.808 -2.883 10.376 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.728 -1.055 11.086 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.988 -1.243 13.520 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.341 -0.354 12.782 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.559 -2.046 13.290 1.00 0.00 H new ATOM 38 N GLY A 64 -11.709 -3.876 10.482 1.00 0.00 N ATOM 39 CA GLY A 64 -11.066 -5.175 10.431 1.00 0.00 C ATOM 40 C GLY A 64 -11.183 -5.803 9.057 1.00 0.00 C ATOM 41 O GLY A 64 -11.566 -6.965 8.924 1.00 0.00 O ATOM 0 H GLY A 64 -12.162 -3.594 9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.014 -5.071 10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.517 -5.834 11.172 1.00 0.00 H new ATOM 45 N GLN A 65 -10.857 -5.022 8.034 1.00 0.00 N ATOM 46 CA GLN A 65 -10.930 -5.485 6.655 1.00 0.00 C ATOM 47 C GLN A 65 -9.594 -6.051 6.197 1.00 0.00 C ATOM 48 O GLN A 65 -8.653 -6.159 6.982 1.00 0.00 O ATOM 49 CB GLN A 65 -11.351 -4.333 5.743 1.00 0.00 C ATOM 50 CG GLN A 65 -12.743 -3.809 6.049 1.00 0.00 C ATOM 51 CD GLN A 65 -13.781 -4.316 5.070 1.00 0.00 C ATOM 52 OE1 GLN A 65 -14.174 -3.609 4.143 1.00 0.00 O ATOM 53 NE2 GLN A 65 -14.218 -5.556 5.260 1.00 0.00 N ATOM 0 H GLN A 65 -10.537 -4.059 8.136 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.673 -6.281 6.599 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.633 -3.519 5.841 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.315 -4.667 4.706 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.025 -4.105 7.059 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.730 -2.719 6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.865 -6.107 6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.907 -5.957 4.624 1.00 0.00 H new ATOM 62 N LEU A 66 -9.515 -6.408 4.922 1.00 0.00 N ATOM 63 CA LEU A 66 -8.289 -6.959 4.378 1.00 0.00 C ATOM 64 C LEU A 66 -7.713 -6.088 3.273 1.00 0.00 C ATOM 65 O LEU A 66 -8.440 -5.533 2.449 1.00 0.00 O ATOM 66 CB LEU A 66 -8.512 -8.380 3.884 1.00 0.00 C ATOM 67 CG LEU A 66 -7.959 -9.430 4.836 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.021 -9.906 5.805 1.00 0.00 C ATOM 69 CD2 LEU A 66 -7.371 -10.583 4.072 1.00 0.00 C ATOM 0 H LEU A 66 -10.280 -6.326 4.253 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.557 -6.981 5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.580 -8.548 3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.042 -8.498 2.908 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.163 -8.968 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.595 -10.656 6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.383 -9.062 6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.850 -10.344 5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.981 -11.322 4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.143 -11.041 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.562 -10.223 3.436 1.00 0.00 H new ATOM 81 N CYS A 67 -6.389 -5.980 3.279 1.00 0.00 N ATOM 82 CA CYS A 67 -5.655 -5.185 2.301 1.00 0.00 C ATOM 83 C CYS A 67 -6.194 -5.400 0.887 1.00 0.00 C ATOM 84 O CYS A 67 -6.603 -6.506 0.531 1.00 0.00 O ATOM 85 CB CYS A 67 -4.173 -5.558 2.366 1.00 0.00 C ATOM 86 SG CYS A 67 -3.101 -4.567 1.305 1.00 0.00 S ATOM 0 H CYS A 67 -5.792 -6.443 3.965 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.783 -4.130 2.542 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.832 -5.461 3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.064 -6.607 2.092 1.00 0.00 H new ATOM 91 N CYS A 68 -6.193 -4.335 0.084 1.00 0.00 N ATOM 92 CA CYS A 68 -6.690 -4.414 -1.288 1.00 0.00 C ATOM 93 C CYS A 68 -5.544 -4.399 -2.299 1.00 0.00 C ATOM 94 O CYS A 68 -5.723 -3.998 -3.449 1.00 0.00 O ATOM 95 CB CYS A 68 -7.656 -3.264 -1.581 1.00 0.00 C ATOM 96 SG CYS A 68 -6.895 -1.625 -1.548 1.00 0.00 S ATOM 0 H CYS A 68 -5.855 -3.413 0.359 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.222 -5.360 -1.388 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.105 -3.423 -2.561 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.465 -3.290 -0.852 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.794 -0.724 -1.810 1.00 0.00 H new ATOM 102 N LEU A 69 -4.367 -4.828 -1.861 1.00 0.00 N ATOM 103 CA LEU A 69 -3.201 -4.896 -2.733 1.00 0.00 C ATOM 104 C LEU A 69 -2.805 -6.349 -2.952 1.00 0.00 C ATOM 105 O LEU A 69 -3.004 -7.193 -2.077 1.00 0.00 O ATOM 106 CB LEU A 69 -2.027 -4.120 -2.137 1.00 0.00 C ATOM 107 CG LEU A 69 -2.276 -2.627 -1.933 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.053 -1.962 -1.319 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.641 -1.962 -3.252 1.00 0.00 C ATOM 0 H LEU A 69 -4.194 -5.135 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.460 -4.442 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.768 -4.564 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.162 -4.243 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.113 -2.508 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.248 -0.899 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.836 -2.420 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.197 -2.091 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.815 -0.899 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.824 -2.090 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.546 -2.420 -3.652 1.00 0.00 H new ATOM 121 N ARG A 70 -2.248 -6.639 -4.119 1.00 0.00 N ATOM 122 CA ARG A 70 -1.837 -7.998 -4.446 1.00 0.00 C ATOM 123 C ARG A 70 -0.324 -8.097 -4.579 1.00 0.00 C ATOM 124 O ARG A 70 0.328 -7.182 -5.084 1.00 0.00 O ATOM 125 CB ARG A 70 -2.499 -8.448 -5.750 1.00 0.00 C ATOM 126 CG ARG A 70 -3.948 -8.009 -5.874 1.00 0.00 C ATOM 127 CD ARG A 70 -4.591 -8.524 -7.152 1.00 0.00 C ATOM 128 NE ARG A 70 -4.864 -9.958 -7.089 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.805 -10.564 -7.811 1.00 0.00 C ATOM 130 NH1 ARG A 70 -6.552 -9.869 -8.659 1.00 0.00 N ATOM 131 NH2 ARG A 70 -5.995 -11.871 -7.688 1.00 0.00 N ATOM 0 H ARG A 70 -2.070 -5.954 -4.854 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.155 -8.650 -3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.933 -8.050 -6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.449 -9.535 -5.818 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.511 -8.370 -5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.000 -6.920 -5.855 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.521 -7.986 -7.332 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.934 -8.317 -7.997 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.302 -10.527 -6.456 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.407 -8.864 -8.761 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.271 -10.339 -9.209 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.421 -12.411 -7.041 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.715 -12.336 -8.241 1.00 0.00 H new ATOM 145 N GLU A 71 0.232 -9.210 -4.116 1.00 0.00 N ATOM 146 CA GLU A 71 1.666 -9.439 -4.204 1.00 0.00 C ATOM 147 C GLU A 71 1.939 -10.715 -4.988 1.00 0.00 C ATOM 148 O GLU A 71 1.839 -11.819 -4.453 1.00 0.00 O ATOM 149 CB GLU A 71 2.293 -9.536 -2.814 1.00 0.00 C ATOM 150 CG GLU A 71 3.812 -9.487 -2.837 1.00 0.00 C ATOM 151 CD GLU A 71 4.438 -10.183 -1.646 1.00 0.00 C ATOM 152 OE1 GLU A 71 3.953 -9.977 -0.515 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.412 -10.937 -1.846 1.00 0.00 O ATOM 0 H GLU A 71 -0.290 -9.968 -3.676 1.00 0.00 H new ATOM 0 HA GLU A 71 2.117 -8.592 -4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.919 -8.720 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.973 -10.465 -2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.172 -9.952 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.138 -8.447 -2.857 1.00 0.00 H new ATOM 160 N ASP A 72 2.273 -10.554 -6.264 1.00 0.00 N ATOM 161 CA ASP A 72 2.544 -11.688 -7.136 1.00 0.00 C ATOM 162 C ASP A 72 1.285 -12.524 -7.335 1.00 0.00 C ATOM 163 O ASP A 72 1.355 -13.737 -7.538 1.00 0.00 O ATOM 164 CB ASP A 72 3.672 -12.552 -6.569 1.00 0.00 C ATOM 165 CG ASP A 72 4.953 -12.411 -7.369 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.361 -11.262 -7.637 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.543 -13.449 -7.735 1.00 0.00 O ATOM 0 H ASP A 72 2.362 -9.645 -6.717 1.00 0.00 H new ATOM 0 HA ASP A 72 2.861 -11.302 -8.105 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.859 -12.270 -5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.361 -13.597 -6.564 1.00 0.00 H new ATOM 172 N GLY A 73 0.132 -11.864 -7.275 1.00 0.00 N ATOM 173 CA GLY A 73 -1.128 -12.553 -7.466 1.00 0.00 C ATOM 174 C GLY A 73 -1.872 -12.817 -6.171 1.00 0.00 C ATOM 175 O GLY A 73 -3.090 -12.998 -6.180 1.00 0.00 O ATOM 0 H GLY A 73 0.050 -10.863 -7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.761 -11.960 -8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.942 -13.502 -7.970 1.00 0.00 H new ATOM 179 N GLU A 74 -1.153 -12.835 -5.052 1.00 0.00 N ATOM 180 CA GLU A 74 -1.782 -13.093 -3.758 1.00 0.00 C ATOM 181 C GLU A 74 -2.282 -11.812 -3.104 1.00 0.00 C ATOM 182 O GLU A 74 -1.532 -10.852 -2.922 1.00 0.00 O ATOM 183 CB GLU A 74 -0.824 -13.840 -2.826 1.00 0.00 C ATOM 184 CG GLU A 74 -0.643 -15.309 -3.186 1.00 0.00 C ATOM 185 CD GLU A 74 -1.945 -15.983 -3.584 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.813 -16.169 -2.704 1.00 0.00 O ATOM 187 OE2 GLU A 74 -2.104 -16.305 -4.780 1.00 0.00 O ATOM 0 H GLU A 74 -0.146 -12.676 -5.013 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.651 -13.726 -3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.148 -13.347 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.196 -13.768 -1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.069 -15.392 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.212 -15.836 -2.335 1.00 0.00 H new ATOM 194 N ARG A 75 -3.562 -11.827 -2.738 1.00 0.00 N ATOM 195 CA ARG A 75 -4.217 -10.679 -2.119 1.00 0.00 C ATOM 196 C ARG A 75 -3.698 -10.411 -0.707 1.00 0.00 C ATOM 197 O ARG A 75 -4.447 -10.495 0.266 1.00 0.00 O ATOM 198 CB ARG A 75 -5.728 -10.910 -2.076 1.00 0.00 C ATOM 199 CG ARG A 75 -6.543 -9.634 -1.937 1.00 0.00 C ATOM 200 CD ARG A 75 -6.658 -8.902 -3.263 1.00 0.00 C ATOM 201 NE ARG A 75 -7.217 -9.759 -4.314 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.418 -9.598 -4.883 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.232 -8.610 -4.521 1.00 0.00 N ATOM 204 NH2 ARG A 75 -8.812 -10.442 -5.827 1.00 0.00 N ATOM 0 H ARG A 75 -4.173 -12.634 -2.862 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.988 -9.803 -2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.033 -11.427 -2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.961 -11.571 -1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.539 -9.875 -1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.077 -8.981 -1.199 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.289 -8.022 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.674 -8.548 -3.569 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.645 -10.540 -4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.946 -7.954 -3.795 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.142 -8.509 -4.970 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.201 -11.207 -6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.726 -10.326 -6.266 1.00 0.00 H new ATOM 218 N CYS A 76 -2.415 -10.085 -0.608 1.00 0.00 N ATOM 219 CA CYS A 76 -1.783 -9.768 0.672 1.00 0.00 C ATOM 220 C CYS A 76 -2.105 -10.804 1.764 1.00 0.00 C ATOM 221 O CYS A 76 -1.343 -11.751 1.963 1.00 0.00 O ATOM 222 CB CYS A 76 -2.189 -8.352 1.102 1.00 0.00 C ATOM 223 SG CYS A 76 -1.185 -7.653 2.431 1.00 0.00 S ATOM 0 H CYS A 76 -1.784 -10.032 -1.407 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.702 -9.807 0.536 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.131 -7.693 0.236 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.231 -8.368 1.422 1.00 0.00 H new ATOM 228 N GLY A 77 -3.223 -10.635 2.468 1.00 0.00 N ATOM 229 CA GLY A 77 -3.575 -11.570 3.524 1.00 0.00 C ATOM 230 C GLY A 77 -3.562 -10.937 4.908 1.00 0.00 C ATOM 231 O GLY A 77 -3.927 -11.579 5.893 1.00 0.00 O ATOM 0 H GLY A 77 -3.887 -9.873 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.567 -11.977 3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.878 -12.408 3.507 1.00 0.00 H new ATOM 235 N ARG A 78 -3.124 -9.680 4.989 1.00 0.00 N ATOM 236 CA ARG A 78 -3.083 -8.967 6.259 1.00 0.00 C ATOM 237 C ARG A 78 -4.221 -7.958 6.325 1.00 0.00 C ATOM 238 O ARG A 78 -4.568 -7.336 5.321 1.00 0.00 O ATOM 239 CB ARG A 78 -1.737 -8.260 6.438 1.00 0.00 C ATOM 240 CG ARG A 78 -1.619 -7.506 7.752 1.00 0.00 C ATOM 241 CD ARG A 78 -0.247 -6.871 7.909 1.00 0.00 C ATOM 242 NE ARG A 78 -0.170 -6.031 9.102 1.00 0.00 N ATOM 243 CZ ARG A 78 0.962 -5.756 9.746 1.00 0.00 C ATOM 244 NH1 ARG A 78 2.117 -6.244 9.310 1.00 0.00 N ATOM 245 NH2 ARG A 78 0.940 -4.988 10.826 1.00 0.00 N ATOM 0 H ARG A 78 -2.794 -9.139 4.190 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.201 -9.689 7.067 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.937 -8.998 6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.589 -7.563 5.613 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.386 -6.733 7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.802 -8.188 8.582 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.511 -7.653 7.966 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.021 -6.271 7.027 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.036 -5.631 9.463 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.140 -6.833 8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.981 -6.030 9.807 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.056 -4.608 11.164 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.807 -4.777 11.320 1.00 0.00 H new ATOM 259 N ALA A 79 -4.799 -7.792 7.503 1.00 0.00 N ATOM 260 CA ALA A 79 -5.913 -6.873 7.669 1.00 0.00 C ATOM 261 C ALA A 79 -5.524 -5.439 7.303 1.00 0.00 C ATOM 262 O ALA A 79 -4.343 -5.104 7.221 1.00 0.00 O ATOM 263 CB ALA A 79 -6.439 -6.946 9.090 1.00 0.00 C ATOM 0 H ALA A 79 -4.518 -8.278 8.354 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.705 -7.175 6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.273 -6.254 9.205 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.777 -7.961 9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.645 -6.676 9.786 1.00 0.00 H new ATOM 269 N ALA A 80 -6.535 -4.599 7.077 1.00 0.00 N ATOM 270 CA ALA A 80 -6.317 -3.199 6.709 1.00 0.00 C ATOM 271 C ALA A 80 -5.964 -2.341 7.923 1.00 0.00 C ATOM 272 O ALA A 80 -6.166 -2.751 9.066 1.00 0.00 O ATOM 273 CB ALA A 80 -7.547 -2.642 6.009 1.00 0.00 C ATOM 0 H ALA A 80 -7.517 -4.865 7.143 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.469 -3.166 6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.372 -1.600 5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.746 -3.221 5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.406 -2.705 6.677 1.00 0.00 H new ATOM 279 N GLY A 81 -5.451 -1.137 7.663 1.00 0.00 N ATOM 280 CA GLY A 81 -5.062 -0.245 8.742 1.00 0.00 C ATOM 281 C GLY A 81 -5.825 1.069 8.756 1.00 0.00 C ATOM 282 O GLY A 81 -7.044 1.095 8.579 1.00 0.00 O ATOM 0 H GLY A 81 -5.299 -0.766 6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.215 -0.753 9.694 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.996 -0.034 8.660 1.00 0.00 H new ATOM 286 N ASN A 82 -5.096 2.168 8.958 1.00 0.00 N ATOM 287 CA ASN A 82 -5.704 3.494 9.030 1.00 0.00 C ATOM 288 C ASN A 82 -5.332 4.368 7.829 1.00 0.00 C ATOM 289 O ASN A 82 -5.974 5.388 7.577 1.00 0.00 O ATOM 290 CB ASN A 82 -5.267 4.183 10.327 1.00 0.00 C ATOM 291 CG ASN A 82 -5.959 5.514 10.563 1.00 0.00 C ATOM 292 OD1 ASN A 82 -5.337 6.474 11.017 1.00 0.00 O ATOM 293 ND2 ASN A 82 -7.255 5.575 10.278 1.00 0.00 N ATOM 0 H ASN A 82 -4.083 2.164 9.075 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.786 3.365 9.015 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.471 3.521 11.169 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.189 4.342 10.301 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.771 6.441 10.434 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.734 4.756 9.903 1.00 0.00 H new ATOM 300 N ALA A 83 -4.298 3.972 7.095 1.00 0.00 N ATOM 301 CA ALA A 83 -3.854 4.735 5.931 1.00 0.00 C ATOM 302 C ALA A 83 -4.849 4.620 4.780 1.00 0.00 C ATOM 303 O ALA A 83 -6.007 4.253 4.981 1.00 0.00 O ATOM 304 CB ALA A 83 -2.475 4.267 5.493 1.00 0.00 C ATOM 0 H ALA A 83 -3.753 3.131 7.283 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.797 5.786 6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.154 4.843 4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.766 4.413 6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.515 3.209 5.232 1.00 0.00 H new ATOM 310 N SER A 84 -4.393 4.946 3.574 1.00 0.00 N ATOM 311 CA SER A 84 -5.240 4.874 2.391 1.00 0.00 C ATOM 312 C SER A 84 -4.400 4.886 1.119 1.00 0.00 C ATOM 313 O SER A 84 -3.308 5.455 1.091 1.00 0.00 O ATOM 314 CB SER A 84 -6.220 6.048 2.363 1.00 0.00 C ATOM 315 OG SER A 84 -5.575 7.240 1.948 1.00 0.00 O ATOM 0 H SER A 84 -3.441 5.263 3.392 1.00 0.00 H new ATOM 0 HA SER A 84 -5.798 3.939 2.437 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.044 5.822 1.686 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.651 6.190 3.354 1.00 0.00 H new ATOM 0 HG SER A 84 -6.223 7.975 1.937 1.00 0.00 H new ATOM 321 N PHE A 85 -4.912 4.253 0.072 1.00 0.00 N ATOM 322 CA PHE A 85 -4.218 4.213 -1.206 1.00 0.00 C ATOM 323 C PHE A 85 -4.379 5.547 -1.924 1.00 0.00 C ATOM 324 O PHE A 85 -5.450 6.154 -1.883 1.00 0.00 O ATOM 325 CB PHE A 85 -4.764 3.077 -2.071 1.00 0.00 C ATOM 326 CG PHE A 85 -4.106 2.963 -3.418 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.896 2.302 -3.560 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.705 3.504 -4.543 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.297 2.185 -4.799 1.00 0.00 C ATOM 330 CE2 PHE A 85 -4.114 3.387 -5.786 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.908 2.726 -5.914 1.00 0.00 C ATOM 0 H PHE A 85 -5.805 3.761 0.083 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.158 4.033 -1.027 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.640 2.135 -1.537 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.835 3.224 -2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.416 1.874 -2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.647 4.024 -4.447 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.352 1.671 -4.896 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.594 3.811 -6.656 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.443 2.632 -6.884 1.00 0.00 H new ATOM 341 N SER A 86 -3.318 6.005 -2.572 1.00 0.00 N ATOM 342 CA SER A 86 -3.357 7.278 -3.280 1.00 0.00 C ATOM 343 C SER A 86 -2.511 7.234 -4.546 1.00 0.00 C ATOM 344 O SER A 86 -2.081 6.170 -4.985 1.00 0.00 O ATOM 345 CB SER A 86 -2.850 8.396 -2.368 1.00 0.00 C ATOM 346 OG SER A 86 -1.469 8.237 -2.091 1.00 0.00 O ATOM 0 H SER A 86 -2.423 5.518 -2.623 1.00 0.00 H new ATOM 0 HA SER A 86 -4.391 7.472 -3.564 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.021 9.363 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.414 8.394 -1.436 1.00 0.00 H new ATOM 0 HG SER A 86 -1.167 8.964 -1.508 1.00 0.00 H new ATOM 352 N LYS A 87 -2.320 8.401 -5.149 1.00 0.00 N ATOM 353 CA LYS A 87 -1.502 8.522 -6.356 1.00 0.00 C ATOM 354 C LYS A 87 -0.011 8.499 -6.014 1.00 0.00 C ATOM 355 O LYS A 87 0.789 7.892 -6.726 1.00 0.00 O ATOM 356 CB LYS A 87 -1.848 9.791 -7.149 1.00 0.00 C ATOM 357 CG LYS A 87 -2.313 10.962 -6.299 1.00 0.00 C ATOM 358 CD LYS A 87 -3.831 11.047 -6.254 1.00 0.00 C ATOM 359 CE LYS A 87 -4.387 11.660 -7.529 1.00 0.00 C ATOM 360 NZ LYS A 87 -3.650 12.897 -7.912 1.00 0.00 N ATOM 0 H LYS A 87 -2.720 9.281 -4.823 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.727 7.661 -6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.971 10.098 -7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.628 9.551 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.923 10.856 -5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.907 11.890 -6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.249 10.050 -6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.139 11.645 -5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.325 10.934 -8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.443 11.893 -7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.283 13.527 -8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.319 13.383 -7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.833 12.645 -8.504 1.00 0.00 H new ATOM 374 N ARG A 88 0.357 9.175 -4.926 1.00 0.00 N ATOM 375 CA ARG A 88 1.752 9.222 -4.488 1.00 0.00 C ATOM 376 C ARG A 88 2.311 7.814 -4.353 1.00 0.00 C ATOM 377 O ARG A 88 3.406 7.517 -4.831 1.00 0.00 O ATOM 378 CB ARG A 88 1.864 9.961 -3.151 1.00 0.00 C ATOM 379 CG ARG A 88 3.249 9.897 -2.524 1.00 0.00 C ATOM 380 CD ARG A 88 3.220 9.185 -1.179 1.00 0.00 C ATOM 381 NE ARG A 88 2.298 9.826 -0.237 1.00 0.00 N ATOM 382 CZ ARG A 88 2.666 10.656 0.744 1.00 0.00 C ATOM 383 NH1 ARG A 88 3.940 10.996 0.915 1.00 0.00 N ATOM 384 NH2 ARG A 88 1.745 11.160 1.554 1.00 0.00 N ATOM 0 H ARG A 88 -0.289 9.696 -4.333 1.00 0.00 H new ATOM 0 HA ARG A 88 2.332 9.760 -5.237 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.592 11.006 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.140 9.540 -2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.931 9.377 -3.197 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.638 10.907 -2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.924 8.146 -1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.223 9.174 -0.753 1.00 0.00 H new ATOM 0 HE ARG A 88 1.303 9.624 -0.337 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.656 10.622 0.292 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.202 11.631 1.669 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.763 10.914 1.426 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.018 11.794 2.305 1.00 0.00 H new ATOM 398 N ILE A 89 1.549 6.951 -3.694 1.00 0.00 N ATOM 399 CA ILE A 89 1.954 5.569 -3.501 1.00 0.00 C ATOM 400 C ILE A 89 2.046 4.853 -4.843 1.00 0.00 C ATOM 401 O ILE A 89 2.923 4.019 -5.053 1.00 0.00 O ATOM 402 CB ILE A 89 0.970 4.828 -2.571 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.956 5.500 -1.196 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.339 3.357 -2.444 1.00 0.00 C ATOM 405 CD1 ILE A 89 0.075 4.800 -0.185 1.00 0.00 C ATOM 0 H ILE A 89 0.645 7.187 -3.284 1.00 0.00 H new ATOM 0 HA ILE A 89 2.937 5.568 -3.029 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.028 4.882 -3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.975 5.540 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.617 6.530 -1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.629 2.860 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.309 2.888 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.343 3.268 -2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.116 5.334 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.953 4.783 -0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.426 3.778 -0.042 1.00 0.00 H new ATOM 417 N GLN A 90 1.141 5.194 -5.754 1.00 0.00 N ATOM 418 CA GLN A 90 1.134 4.594 -7.080 1.00 0.00 C ATOM 419 C GLN A 90 2.432 4.926 -7.807 1.00 0.00 C ATOM 420 O GLN A 90 3.080 4.051 -8.382 1.00 0.00 O ATOM 421 CB GLN A 90 -0.067 5.095 -7.884 1.00 0.00 C ATOM 422 CG GLN A 90 -0.278 4.352 -9.193 1.00 0.00 C ATOM 423 CD GLN A 90 -1.703 4.458 -9.703 1.00 0.00 C ATOM 424 OE1 GLN A 90 -2.220 3.527 -10.321 1.00 0.00 O ATOM 425 NE2 GLN A 90 -2.345 5.595 -9.453 1.00 0.00 N ATOM 0 H GLN A 90 0.404 5.882 -5.597 1.00 0.00 H new ATOM 0 HA GLN A 90 1.054 3.512 -6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.966 5.002 -7.274 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.066 6.156 -8.096 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.403 4.749 -9.945 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.023 3.301 -9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.879 6.341 -8.937 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.304 5.721 -9.777 1.00 0.00 H new ATOM 434 N LYS A 91 2.806 6.201 -7.767 1.00 0.00 N ATOM 435 CA LYS A 91 4.032 6.662 -8.403 1.00 0.00 C ATOM 436 C LYS A 91 5.236 5.971 -7.770 1.00 0.00 C ATOM 437 O LYS A 91 6.090 5.423 -8.466 1.00 0.00 O ATOM 438 CB LYS A 91 4.148 8.182 -8.266 1.00 0.00 C ATOM 439 CG LYS A 91 4.595 8.886 -9.540 1.00 0.00 C ATOM 440 CD LYS A 91 6.105 8.859 -9.703 1.00 0.00 C ATOM 441 CE LYS A 91 6.536 9.538 -10.993 1.00 0.00 C ATOM 442 NZ LYS A 91 5.969 8.861 -12.192 1.00 0.00 N ATOM 0 H LYS A 91 2.274 6.935 -7.299 1.00 0.00 H new ATOM 0 HA LYS A 91 4.006 6.410 -9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.182 8.584 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.855 8.412 -7.469 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.128 8.408 -10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.250 9.920 -9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.573 9.357 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.454 7.827 -9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.217 10.580 -10.979 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.624 9.539 -11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.486 9.168 -13.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.061 7.831 -12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.964 9.111 -12.289 1.00 0.00 H new ATOM 456 N SER A 92 5.289 5.991 -6.439 1.00 0.00 N ATOM 457 CA SER A 92 6.376 5.351 -5.709 1.00 0.00 C ATOM 458 C SER A 92 6.538 3.905 -6.166 1.00 0.00 C ATOM 459 O SER A 92 7.654 3.431 -6.376 1.00 0.00 O ATOM 460 CB SER A 92 6.114 5.404 -4.201 1.00 0.00 C ATOM 461 OG SER A 92 6.380 6.696 -3.682 1.00 0.00 O ATOM 0 H SER A 92 4.592 6.443 -5.847 1.00 0.00 H new ATOM 0 HA SER A 92 7.299 5.891 -5.919 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.077 5.134 -3.999 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.739 4.669 -3.694 1.00 0.00 H new ATOM 0 HG SER A 92 5.918 6.806 -2.825 1.00 0.00 H new ATOM 467 N ILE A 93 5.414 3.209 -6.319 1.00 0.00 N ATOM 468 CA ILE A 93 5.431 1.825 -6.776 1.00 0.00 C ATOM 469 C ILE A 93 6.033 1.746 -8.176 1.00 0.00 C ATOM 470 O ILE A 93 6.957 0.974 -8.423 1.00 0.00 O ATOM 471 CB ILE A 93 4.006 1.211 -6.790 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.469 1.071 -5.365 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.995 -0.147 -7.484 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.994 0.735 -5.308 1.00 0.00 C ATOM 0 H ILE A 93 4.483 3.581 -6.133 1.00 0.00 H new ATOM 0 HA ILE A 93 6.041 1.253 -6.077 1.00 0.00 H new ATOM 0 HB ILE A 93 3.360 1.887 -7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.031 0.294 -4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.643 2.002 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.983 -0.551 -7.477 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.333 -0.032 -8.514 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.662 -0.830 -6.957 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.680 0.651 -4.268 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.422 1.524 -5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.816 -0.212 -5.819 1.00 0.00 H new ATOM 486 N SER A 94 5.500 2.558 -9.085 1.00 0.00 N ATOM 487 CA SER A 94 5.975 2.585 -10.462 1.00 0.00 C ATOM 488 C SER A 94 7.495 2.711 -10.517 1.00 0.00 C ATOM 489 O SER A 94 8.159 1.984 -11.255 1.00 0.00 O ATOM 490 CB SER A 94 5.326 3.743 -11.221 1.00 0.00 C ATOM 491 OG SER A 94 3.912 3.648 -11.178 1.00 0.00 O ATOM 0 H SER A 94 4.737 3.207 -8.890 1.00 0.00 H new ATOM 0 HA SER A 94 5.694 1.644 -10.935 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.644 4.691 -10.787 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.663 3.738 -12.257 1.00 0.00 H new ATOM 0 HG SER A 94 3.593 3.917 -10.291 1.00 0.00 H new ATOM 497 N GLN A 95 8.039 3.639 -9.736 1.00 0.00 N ATOM 498 CA GLN A 95 9.482 3.843 -9.699 1.00 0.00 C ATOM 499 C GLN A 95 10.173 2.583 -9.194 1.00 0.00 C ATOM 500 O GLN A 95 11.146 2.114 -9.784 1.00 0.00 O ATOM 501 CB GLN A 95 9.835 5.036 -8.809 1.00 0.00 C ATOM 502 CG GLN A 95 11.223 5.598 -9.074 1.00 0.00 C ATOM 503 CD GLN A 95 11.384 6.102 -10.494 1.00 0.00 C ATOM 504 OE1 GLN A 95 10.426 6.564 -11.115 1.00 0.00 O ATOM 505 NE2 GLN A 95 12.601 6.015 -11.020 1.00 0.00 N ATOM 0 H GLN A 95 7.506 4.258 -9.124 1.00 0.00 H new ATOM 0 HA GLN A 95 9.830 4.056 -10.710 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.097 5.824 -8.961 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.767 4.733 -7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.420 6.413 -8.378 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.967 4.826 -8.879 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.367 5.626 -10.471 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.769 6.338 -11.973 1.00 0.00 H new ATOM 514 N LYS A 96 9.658 2.038 -8.095 1.00 0.00 N ATOM 515 CA LYS A 96 10.206 0.816 -7.521 1.00 0.00 C ATOM 516 C LYS A 96 10.109 -0.322 -8.526 1.00 0.00 C ATOM 517 O LYS A 96 11.039 -1.111 -8.689 1.00 0.00 O ATOM 518 CB LYS A 96 9.435 0.418 -6.258 1.00 0.00 C ATOM 519 CG LYS A 96 9.542 1.409 -5.114 1.00 0.00 C ATOM 520 CD LYS A 96 8.509 1.105 -4.040 1.00 0.00 C ATOM 521 CE LYS A 96 8.749 1.917 -2.779 1.00 0.00 C ATOM 522 NZ LYS A 96 8.913 3.366 -3.075 1.00 0.00 N ATOM 0 H LYS A 96 8.863 2.424 -7.586 1.00 0.00 H new ATOM 0 HA LYS A 96 11.249 1.003 -7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.383 0.292 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.798 -0.551 -5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.543 1.369 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.396 2.422 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.512 1.318 -4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.538 0.042 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.913 1.779 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.641 1.547 -2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.544 3.927 -2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.921 3.581 -3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.388 3.605 -3.941 1.00 0.00 H new ATOM 536 N LYS A 97 8.966 -0.390 -9.202 1.00 0.00 N ATOM 537 CA LYS A 97 8.710 -1.438 -10.175 1.00 0.00 C ATOM 538 C LYS A 97 8.515 -2.765 -9.452 1.00 0.00 C ATOM 539 O LYS A 97 9.437 -3.574 -9.352 1.00 0.00 O ATOM 540 CB LYS A 97 9.861 -1.537 -11.175 1.00 0.00 C ATOM 541 CG LYS A 97 10.276 -0.195 -11.755 1.00 0.00 C ATOM 542 CD LYS A 97 9.747 -0.001 -13.167 1.00 0.00 C ATOM 543 CE LYS A 97 10.880 0.217 -14.157 1.00 0.00 C ATOM 544 NZ LYS A 97 11.775 1.335 -13.742 1.00 0.00 N ATOM 0 H LYS A 97 8.200 0.274 -9.090 1.00 0.00 H new ATOM 0 HA LYS A 97 7.803 -1.196 -10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.721 -1.993 -10.684 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.569 -2.201 -11.989 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.907 0.607 -11.115 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.364 -0.123 -11.761 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.166 -0.874 -13.463 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.072 0.854 -13.190 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.463 -0.699 -14.249 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.465 0.431 -15.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.141 1.819 -14.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.239 2.011 -13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.570 0.956 -13.188 1.00 0.00 H new ATOM 558 N VAL A 98 7.311 -2.968 -8.929 1.00 0.00 N ATOM 559 CA VAL A 98 6.989 -4.182 -8.191 1.00 0.00 C ATOM 560 C VAL A 98 5.643 -4.755 -8.623 1.00 0.00 C ATOM 561 O VAL A 98 4.826 -4.061 -9.230 1.00 0.00 O ATOM 562 CB VAL A 98 6.958 -3.912 -6.676 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.355 -3.596 -6.163 1.00 0.00 C ATOM 564 CG2 VAL A 98 5.999 -2.774 -6.359 1.00 0.00 C ATOM 0 H VAL A 98 6.540 -2.304 -9.003 1.00 0.00 H new ATOM 0 HA VAL A 98 7.771 -4.908 -8.414 1.00 0.00 H new ATOM 0 HB VAL A 98 6.603 -4.810 -6.171 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.315 -3.408 -5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.014 -4.442 -6.358 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.738 -2.712 -6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.989 -2.596 -5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.324 -1.870 -6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.996 -3.040 -6.692 1.00 0.00 H new ATOM 574 N LYS A 99 5.416 -6.025 -8.300 1.00 0.00 N ATOM 575 CA LYS A 99 4.172 -6.695 -8.658 1.00 0.00 C ATOM 576 C LYS A 99 3.058 -6.358 -7.673 1.00 0.00 C ATOM 577 O LYS A 99 2.475 -7.247 -7.052 1.00 0.00 O ATOM 578 CB LYS A 99 4.378 -8.209 -8.712 1.00 0.00 C ATOM 579 CG LYS A 99 5.478 -8.636 -9.670 1.00 0.00 C ATOM 580 CD LYS A 99 5.003 -9.731 -10.608 1.00 0.00 C ATOM 581 CE LYS A 99 6.057 -10.062 -11.651 1.00 0.00 C ATOM 582 NZ LYS A 99 6.722 -8.838 -12.176 1.00 0.00 N ATOM 0 H LYS A 99 6.078 -6.610 -7.791 1.00 0.00 H new ATOM 0 HA LYS A 99 3.875 -6.338 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.617 -8.571 -7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.443 -8.685 -9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.810 -7.776 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.339 -8.989 -9.103 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.763 -10.626 -10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.085 -9.415 -11.103 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.806 -10.723 -11.214 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.594 -10.606 -12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.125 -9.037 -13.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.025 -8.071 -12.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.482 -8.550 -11.527 1.00 0.00 H new ATOM 596 N ILE A 100 2.768 -5.070 -7.534 1.00 0.00 N ATOM 597 CA ILE A 100 1.718 -4.619 -6.633 1.00 0.00 C ATOM 598 C ILE A 100 0.846 -3.570 -7.311 1.00 0.00 C ATOM 599 O ILE A 100 1.261 -2.425 -7.489 1.00 0.00 O ATOM 600 CB ILE A 100 2.294 -4.032 -5.331 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.197 -5.055 -4.639 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.168 -3.599 -4.402 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.858 -4.528 -3.385 1.00 0.00 C ATOM 0 H ILE A 100 3.246 -4.321 -8.034 1.00 0.00 H new ATOM 0 HA ILE A 100 1.117 -5.493 -6.382 1.00 0.00 H new ATOM 0 HB ILE A 100 2.893 -3.156 -5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.607 -5.936 -4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.968 -5.378 -5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.591 -3.186 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.561 -2.840 -4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.546 -4.460 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.483 -5.307 -2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.475 -3.665 -3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.093 -4.231 -2.668 1.00 0.00 H new ATOM 615 N GLU A 101 -0.356 -3.972 -7.699 1.00 0.00 N ATOM 616 CA GLU A 101 -1.290 -3.070 -8.356 1.00 0.00 C ATOM 617 C GLU A 101 -2.636 -3.097 -7.646 1.00 0.00 C ATOM 618 O GLU A 101 -2.958 -4.060 -6.950 1.00 0.00 O ATOM 619 CB GLU A 101 -1.468 -3.463 -9.821 1.00 0.00 C ATOM 620 CG GLU A 101 -2.049 -4.855 -10.004 1.00 0.00 C ATOM 621 CD GLU A 101 -3.105 -4.904 -11.090 1.00 0.00 C ATOM 622 OE1 GLU A 101 -4.117 -4.184 -10.964 1.00 0.00 O ATOM 623 OE2 GLU A 101 -2.919 -5.662 -12.065 1.00 0.00 O ATOM 0 H GLU A 101 -0.708 -4.921 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.884 -2.059 -8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.120 -2.738 -10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.502 -3.411 -10.324 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.247 -5.551 -10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.484 -5.190 -9.063 1.00 0.00 H new ATOM 630 N LEU A 102 -3.425 -2.046 -7.826 1.00 0.00 N ATOM 631 CA LEU A 102 -4.724 -1.979 -7.179 1.00 0.00 C ATOM 632 C LEU A 102 -5.797 -2.703 -7.975 1.00 0.00 C ATOM 633 O LEU A 102 -5.935 -2.512 -9.185 1.00 0.00 O ATOM 634 CB LEU A 102 -5.172 -0.536 -6.961 1.00 0.00 C ATOM 635 CG LEU A 102 -6.551 -0.426 -6.312 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.450 0.136 -4.908 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.494 0.402 -7.159 1.00 0.00 C ATOM 0 H LEU A 102 -3.191 -1.240 -8.406 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.601 -2.472 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.441 -0.026 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.186 -0.018 -7.920 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.963 -1.433 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.446 0.203 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.829 -0.520 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.002 1.129 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.466 0.461 -6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.087 1.406 -7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.608 -0.064 -8.138 1.00 0.00 H new ATOM 649 N ASP A 103 -6.558 -3.533 -7.279 1.00 0.00 N ATOM 650 CA ASP A 103 -7.653 -4.260 -7.890 1.00 0.00 C ATOM 651 C ASP A 103 -8.835 -3.318 -8.053 1.00 0.00 C ATOM 652 O ASP A 103 -9.069 -2.464 -7.199 1.00 0.00 O ATOM 653 CB ASP A 103 -8.063 -5.430 -7.007 1.00 0.00 C ATOM 654 CG ASP A 103 -9.033 -6.374 -7.698 1.00 0.00 C ATOM 655 OD1 ASP A 103 -9.313 -6.165 -8.898 1.00 0.00 O ATOM 656 OD2 ASP A 103 -9.509 -7.324 -7.040 1.00 0.00 O ATOM 0 H ASP A 103 -6.434 -3.719 -6.284 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.337 -4.642 -8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.173 -5.984 -6.709 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.521 -5.048 -6.095 1.00 0.00 H new ATOM 661 N LYS A 104 -9.577 -3.465 -9.137 1.00 0.00 N ATOM 662 CA LYS A 104 -10.726 -2.602 -9.378 1.00 0.00 C ATOM 663 C LYS A 104 -12.025 -3.250 -8.893 1.00 0.00 C ATOM 664 O LYS A 104 -13.055 -2.585 -8.797 1.00 0.00 O ATOM 665 CB LYS A 104 -10.824 -2.255 -10.863 1.00 0.00 C ATOM 666 CG LYS A 104 -9.575 -1.583 -11.417 1.00 0.00 C ATOM 667 CD LYS A 104 -9.678 -0.065 -11.372 1.00 0.00 C ATOM 668 CE LYS A 104 -8.805 0.532 -10.279 1.00 0.00 C ATOM 669 NZ LYS A 104 -7.395 0.060 -10.367 1.00 0.00 N ATOM 0 H LYS A 104 -9.409 -4.166 -9.859 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.581 -1.684 -8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.017 -3.167 -11.428 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.679 -1.597 -11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.705 -1.905 -10.844 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.416 -1.905 -12.446 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.384 0.347 -12.337 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.716 0.223 -11.205 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.828 1.619 -10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.215 0.268 -9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.761 0.783 -9.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.291 -0.824 -9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.147 -0.109 -11.363 1.00 0.00 H new ATOM 683 N SER A 105 -11.977 -4.548 -8.588 1.00 0.00 N ATOM 684 CA SER A 105 -13.161 -5.257 -8.108 1.00 0.00 C ATOM 685 C SER A 105 -13.296 -5.149 -6.585 1.00 0.00 C ATOM 686 O SER A 105 -14.208 -5.729 -5.995 1.00 0.00 O ATOM 687 CB SER A 105 -13.107 -6.733 -8.522 1.00 0.00 C ATOM 688 OG SER A 105 -12.586 -7.545 -7.482 1.00 0.00 O ATOM 0 H SER A 105 -11.139 -5.124 -8.664 1.00 0.00 H new ATOM 0 HA SER A 105 -14.034 -4.789 -8.563 1.00 0.00 H new ATOM 0 HB2 SER A 105 -14.108 -7.075 -8.786 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.489 -6.840 -9.413 1.00 0.00 H new ATOM 0 HG SER A 105 -11.617 -7.412 -7.417 1.00 0.00 H new ATOM 694 N ALA A 106 -12.387 -4.404 -5.954 1.00 0.00 N ATOM 695 CA ALA A 106 -12.403 -4.229 -4.508 1.00 0.00 C ATOM 696 C ALA A 106 -13.622 -3.404 -4.066 1.00 0.00 C ATOM 697 O ALA A 106 -14.725 -3.613 -4.570 1.00 0.00 O ATOM 698 CB ALA A 106 -11.092 -3.590 -4.066 1.00 0.00 C ATOM 0 H ALA A 106 -11.629 -3.912 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.494 -5.202 -4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.099 -3.457 -2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.260 -4.235 -4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.978 -2.620 -4.550 1.00 0.00 H new ATOM 704 N ARG A 107 -13.433 -2.481 -3.116 1.00 0.00 N ATOM 705 CA ARG A 107 -14.528 -1.653 -2.635 1.00 0.00 C ATOM 706 C ARG A 107 -13.997 -0.413 -1.928 1.00 0.00 C ATOM 707 O ARG A 107 -14.152 0.710 -2.410 1.00 0.00 O ATOM 708 CB ARG A 107 -15.405 -2.459 -1.674 1.00 0.00 C ATOM 709 CG ARG A 107 -16.713 -1.774 -1.320 1.00 0.00 C ATOM 710 CD ARG A 107 -17.903 -2.577 -1.816 1.00 0.00 C ATOM 711 NE ARG A 107 -17.803 -2.869 -3.243 1.00 0.00 N ATOM 712 CZ ARG A 107 -18.813 -3.321 -3.977 1.00 0.00 C ATOM 713 NH1 ARG A 107 -19.996 -3.535 -3.418 1.00 0.00 N ATOM 714 NH2 ARG A 107 -18.642 -3.556 -5.270 1.00 0.00 N ATOM 0 H ARG A 107 -12.534 -2.294 -2.671 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.123 -1.336 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.623 -3.429 -2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.845 -2.649 -0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -16.780 -1.648 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.735 -0.777 -1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -17.970 -3.511 -1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.822 -2.023 -1.622 1.00 0.00 H new ATOM 0 HE ARG A 107 -16.905 -2.717 -3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -20.131 -3.352 -2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -20.771 -3.882 -3.982 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -17.733 -3.390 -5.703 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -19.419 -3.903 -5.832 1.00 0.00 H new ATOM 728 N HIS A 108 -13.359 -0.629 -0.784 1.00 0.00 N ATOM 729 CA HIS A 108 -12.808 0.460 0.011 1.00 0.00 C ATOM 730 C HIS A 108 -11.400 0.829 -0.444 1.00 0.00 C ATOM 731 O HIS A 108 -10.835 0.202 -1.340 1.00 0.00 O ATOM 732 CB HIS A 108 -12.785 0.064 1.488 1.00 0.00 C ATOM 733 CG HIS A 108 -12.169 -1.280 1.737 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.813 -1.472 1.888 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.734 -2.505 1.859 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.569 -2.755 2.089 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.718 -3.403 2.077 1.00 0.00 N ATOM 0 H HIS A 108 -13.210 -1.556 -0.385 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.447 1.332 -0.128 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.233 0.818 2.050 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -13.805 0.064 1.872 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.788 -2.733 1.796 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.595 -3.198 2.238 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.833 -4.408 2.208 1.00 0.00 H new ATOM 746 N LEU A 109 -10.846 1.861 0.185 1.00 0.00 N ATOM 747 CA LEU A 109 -9.499 2.322 -0.125 1.00 0.00 C ATOM 748 C LEU A 109 -8.652 2.347 1.142 1.00 0.00 C ATOM 749 O LEU A 109 -8.248 3.408 1.616 1.00 0.00 O ATOM 750 CB LEU A 109 -9.540 3.713 -0.760 1.00 0.00 C ATOM 751 CG LEU A 109 -10.229 3.783 -2.123 1.00 0.00 C ATOM 752 CD1 LEU A 109 -10.499 5.228 -2.510 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.381 3.096 -3.185 1.00 0.00 C ATOM 0 H LEU A 109 -11.314 2.396 0.917 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.050 1.631 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.050 4.392 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.518 4.077 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.183 3.261 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.990 5.259 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.145 5.690 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.556 5.773 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.887 3.155 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.412 3.590 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.237 2.050 -2.915 1.00 0.00 H new ATOM 765 N TYR A 110 -8.398 1.164 1.685 1.00 0.00 N ATOM 766 CA TYR A 110 -7.609 1.023 2.899 1.00 0.00 C ATOM 767 C TYR A 110 -6.621 -0.125 2.755 1.00 0.00 C ATOM 768 O TYR A 110 -6.997 -1.237 2.383 1.00 0.00 O ATOM 769 CB TYR A 110 -8.514 0.770 4.109 1.00 0.00 C ATOM 770 CG TYR A 110 -9.484 1.894 4.399 1.00 0.00 C ATOM 771 CD1 TYR A 110 -9.041 3.106 4.917 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.844 1.740 4.164 1.00 0.00 C ATOM 773 CE1 TYR A 110 -9.926 4.131 5.189 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.736 2.761 4.432 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.273 3.954 4.944 1.00 0.00 C ATOM 776 OH TYR A 110 -12.157 4.972 5.214 1.00 0.00 O ATOM 0 H TYR A 110 -8.731 0.281 1.299 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.062 1.953 3.057 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.077 -0.148 3.942 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.890 0.606 4.988 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -7.988 3.248 5.110 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.211 0.806 3.765 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.566 5.066 5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.790 2.625 4.241 1.00 0.00 H new ATOM 0 HH TYR A 110 -13.066 4.686 4.984 1.00 0.00 H new ATOM 786 N ILE A 111 -5.358 0.149 3.045 1.00 0.00 N ATOM 787 CA ILE A 111 -4.321 -0.865 2.948 1.00 0.00 C ATOM 788 C ILE A 111 -3.896 -1.340 4.329 1.00 0.00 C ATOM 789 O ILE A 111 -4.458 -0.922 5.341 1.00 0.00 O ATOM 790 CB ILE A 111 -3.087 -0.329 2.198 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.494 0.870 2.939 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.461 0.054 0.773 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.340 1.522 2.211 1.00 0.00 C ATOM 0 H ILE A 111 -5.027 1.065 3.349 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.740 -1.703 2.391 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.333 -1.115 2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.277 1.611 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.155 0.547 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.580 0.431 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.843 -0.822 0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.229 0.828 0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.970 2.364 2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.539 0.796 2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.678 1.877 1.237 1.00 0.00 H new ATOM 805 N CYS A 112 -2.905 -2.220 4.366 1.00 0.00 N ATOM 806 CA CYS A 112 -2.402 -2.744 5.627 1.00 0.00 C ATOM 807 C CYS A 112 -1.147 -1.993 6.052 1.00 0.00 C ATOM 808 O CYS A 112 -0.475 -1.373 5.228 1.00 0.00 O ATOM 809 CB CYS A 112 -2.103 -4.238 5.498 1.00 0.00 C ATOM 810 SG CYS A 112 -0.972 -4.648 4.150 1.00 0.00 S ATOM 0 H CYS A 112 -2.434 -2.585 3.538 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.167 -2.603 6.390 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.678 -4.595 6.436 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.040 -4.774 5.348 1.00 0.00 H new ATOM 815 N ASP A 113 -0.841 -2.041 7.342 1.00 0.00 N ATOM 816 CA ASP A 113 0.339 -1.368 7.871 1.00 0.00 C ATOM 817 C ASP A 113 1.597 -1.858 7.164 1.00 0.00 C ATOM 818 O ASP A 113 2.551 -1.104 6.972 1.00 0.00 O ATOM 819 CB ASP A 113 0.460 -1.610 9.376 1.00 0.00 C ATOM 820 CG ASP A 113 -0.518 -0.777 10.181 1.00 0.00 C ATOM 821 OD1 ASP A 113 -1.722 -0.787 9.850 1.00 0.00 O ATOM 822 OD2 ASP A 113 -0.078 -0.111 11.142 1.00 0.00 O ATOM 0 H ASP A 113 -1.393 -2.538 8.041 1.00 0.00 H new ATOM 0 HA ASP A 113 0.231 -0.298 7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.290 -2.666 9.585 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.476 -1.381 9.697 1.00 0.00 H new ATOM 827 N TYR A 114 1.584 -3.129 6.775 1.00 0.00 N ATOM 828 CA TYR A 114 2.721 -3.740 6.096 1.00 0.00 C ATOM 829 C TYR A 114 3.085 -2.987 4.818 1.00 0.00 C ATOM 830 O TYR A 114 4.181 -2.441 4.701 1.00 0.00 O ATOM 831 CB TYR A 114 2.400 -5.200 5.768 1.00 0.00 C ATOM 832 CG TYR A 114 3.485 -5.909 4.990 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.724 -6.163 5.564 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.268 -6.329 3.683 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.716 -6.815 4.857 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.255 -6.984 2.971 1.00 0.00 C ATOM 837 CZ TYR A 114 5.477 -7.224 3.561 1.00 0.00 C ATOM 838 OH TYR A 114 6.462 -7.874 2.855 1.00 0.00 O ATOM 0 H TYR A 114 0.794 -3.758 6.919 1.00 0.00 H new ATOM 0 HA TYR A 114 3.580 -3.692 6.766 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.222 -5.740 6.698 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.473 -5.238 5.196 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.915 -5.846 6.579 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.313 -6.140 3.216 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.675 -7.004 5.317 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.069 -7.306 1.957 1.00 0.00 H new ATOM 0 HH TYR A 114 6.131 -8.095 1.959 1.00 0.00 H new ATOM 848 N HIS A 115 2.155 -2.950 3.869 1.00 0.00 N ATOM 849 CA HIS A 115 2.390 -2.276 2.597 1.00 0.00 C ATOM 850 C HIS A 115 2.565 -0.771 2.783 1.00 0.00 C ATOM 851 O HIS A 115 3.372 -0.146 2.094 1.00 0.00 O ATOM 852 CB HIS A 115 1.246 -2.557 1.620 1.00 0.00 C ATOM 853 CG HIS A 115 1.341 -3.899 0.958 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.221 -4.652 0.695 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.436 -4.568 0.520 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.656 -5.753 0.108 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.990 -5.748 -0.020 1.00 0.00 N ATOM 0 H HIS A 115 1.233 -3.378 3.956 1.00 0.00 H new ATOM 0 HA HIS A 115 3.316 -2.673 2.182 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.298 -2.490 2.154 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.235 -1.782 0.853 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.462 -4.236 0.584 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.017 -6.556 -0.227 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.563 -6.480 -0.438 1.00 0.00 H new ATOM 865 N LYS A 116 1.816 -0.189 3.714 1.00 0.00 N ATOM 866 CA LYS A 116 1.908 1.246 3.967 1.00 0.00 C ATOM 867 C LYS A 116 3.329 1.637 4.351 1.00 0.00 C ATOM 868 O LYS A 116 3.937 2.507 3.728 1.00 0.00 O ATOM 869 CB LYS A 116 0.951 1.661 5.085 1.00 0.00 C ATOM 870 CG LYS A 116 0.950 3.158 5.352 1.00 0.00 C ATOM 871 CD LYS A 116 0.526 3.477 6.777 1.00 0.00 C ATOM 872 CE LYS A 116 1.534 2.958 7.790 1.00 0.00 C ATOM 873 NZ LYS A 116 2.933 3.301 7.411 1.00 0.00 N ATOM 0 H LYS A 116 1.144 -0.683 4.301 1.00 0.00 H new ATOM 0 HA LYS A 116 1.631 1.762 3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.059 1.345 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.224 1.136 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 116 1.947 3.560 5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.275 3.652 4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.416 4.555 6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.450 3.034 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.311 3.377 8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.437 1.876 7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.581 3.004 8.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.184 2.811 6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.013 4.328 7.271 1.00 0.00 H new ATOM 887 N ASN A 117 3.858 0.975 5.374 1.00 0.00 N ATOM 888 CA ASN A 117 5.206 1.253 5.851 1.00 0.00 C ATOM 889 C ASN A 117 6.237 0.846 4.807 1.00 0.00 C ATOM 890 O ASN A 117 7.267 1.494 4.649 1.00 0.00 O ATOM 891 CB ASN A 117 5.466 0.499 7.158 1.00 0.00 C ATOM 892 CG ASN A 117 6.494 1.187 8.035 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.262 2.029 7.570 1.00 0.00 O ATOM 894 ND2 ASN A 117 6.521 0.822 9.312 1.00 0.00 N ATOM 0 H ASN A 117 3.372 0.241 5.889 1.00 0.00 H new ATOM 0 HA ASN A 117 5.294 2.324 6.031 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.531 0.402 7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.807 -0.511 6.929 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.197 1.244 9.949 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.866 0.120 9.656 1.00 0.00 H new ATOM 901 N LEU A 118 5.940 -0.228 4.090 1.00 0.00 N ATOM 902 CA LEU A 118 6.837 -0.748 3.064 1.00 0.00 C ATOM 903 C LEU A 118 7.020 0.243 1.912 1.00 0.00 C ATOM 904 O LEU A 118 8.134 0.454 1.434 1.00 0.00 O ATOM 905 CB LEU A 118 6.279 -2.072 2.528 1.00 0.00 C ATOM 906 CG LEU A 118 7.271 -2.956 1.767 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.616 -4.273 1.378 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.796 -2.239 0.533 1.00 0.00 C ATOM 0 H LEU A 118 5.078 -0.761 4.200 1.00 0.00 H new ATOM 0 HA LEU A 118 7.815 -0.908 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.883 -2.643 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.440 -1.850 1.869 1.00 0.00 H new ATOM 0 HG LEU A 118 8.115 -3.167 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.334 -4.891 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.290 -4.797 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.754 -4.076 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.499 -2.886 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.964 -1.995 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.302 -1.321 0.833 1.00 0.00 H new ATOM 920 N ILE A 119 5.926 0.866 1.488 1.00 0.00 N ATOM 921 CA ILE A 119 5.958 1.802 0.365 1.00 0.00 C ATOM 922 C ILE A 119 6.361 3.221 0.772 1.00 0.00 C ATOM 923 O ILE A 119 7.062 3.907 0.028 1.00 0.00 O ATOM 924 CB ILE A 119 4.581 1.846 -0.330 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.205 0.449 -0.820 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.586 2.839 -1.486 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.766 0.329 -1.272 1.00 0.00 C ATOM 0 H ILE A 119 5.003 0.741 1.904 1.00 0.00 H new ATOM 0 HA ILE A 119 6.721 1.432 -0.319 1.00 0.00 H new ATOM 0 HB ILE A 119 3.836 2.180 0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.860 0.175 -1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.386 -0.268 -0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.604 2.851 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.820 3.835 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.338 2.542 -2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.573 -0.691 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.102 0.570 -0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.584 1.021 -2.095 1.00 0.00 H new ATOM 939 N GLN A 120 5.923 3.657 1.943 1.00 0.00 N ATOM 940 CA GLN A 120 6.215 5.010 2.416 1.00 0.00 C ATOM 941 C GLN A 120 7.675 5.202 2.839 1.00 0.00 C ATOM 942 O GLN A 120 8.237 6.281 2.651 1.00 0.00 O ATOM 943 CB GLN A 120 5.306 5.354 3.598 1.00 0.00 C ATOM 944 CG GLN A 120 4.075 6.163 3.225 1.00 0.00 C ATOM 945 CD GLN A 120 4.411 7.573 2.779 1.00 0.00 C ATOM 946 OE1 GLN A 120 4.531 7.849 1.586 1.00 0.00 O ATOM 947 NE2 GLN A 120 4.575 8.474 3.742 1.00 0.00 N ATOM 0 H GLN A 120 5.364 3.097 2.586 1.00 0.00 H new ATOM 0 HA GLN A 120 6.030 5.677 1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.987 4.429 4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.883 5.912 4.335 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.539 5.652 2.425 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.402 6.208 4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.466 8.202 4.719 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.810 9.438 3.504 1.00 0.00 H new ATOM 956 N SER A 121 8.294 4.160 3.389 1.00 0.00 N ATOM 957 CA SER A 121 9.668 4.268 3.886 1.00 0.00 C ATOM 958 C SER A 121 10.725 4.323 2.785 1.00 0.00 C ATOM 959 O SER A 121 11.866 4.702 3.049 1.00 0.00 O ATOM 960 CB SER A 121 9.978 3.122 4.843 1.00 0.00 C ATOM 961 OG SER A 121 10.004 3.575 6.185 1.00 0.00 O ATOM 0 H SER A 121 7.873 3.238 3.502 1.00 0.00 H new ATOM 0 HA SER A 121 9.719 5.223 4.409 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.227 2.339 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.940 2.679 4.586 1.00 0.00 H new ATOM 0 HG SER A 121 10.203 2.823 6.780 1.00 0.00 H new ATOM 967 N VAL A 122 10.377 3.941 1.562 1.00 0.00 N ATOM 968 CA VAL A 122 11.348 3.986 0.472 1.00 0.00 C ATOM 969 C VAL A 122 11.540 5.420 -0.022 1.00 0.00 C ATOM 970 O VAL A 122 12.558 5.744 -0.634 1.00 0.00 O ATOM 971 CB VAL A 122 10.950 3.063 -0.700 1.00 0.00 C ATOM 972 CG1 VAL A 122 11.895 3.239 -1.883 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.937 1.614 -0.239 1.00 0.00 C ATOM 0 H VAL A 122 9.450 3.603 1.302 1.00 0.00 H new ATOM 0 HA VAL A 122 12.294 3.619 0.871 1.00 0.00 H new ATOM 0 HB VAL A 122 9.948 3.339 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.591 2.577 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 122 11.859 4.273 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 122 12.912 2.993 -1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.655 0.970 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.930 1.336 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 122 10.217 1.496 0.571 1.00 0.00 H new ATOM 983 N ARG A 123 10.562 6.277 0.260 1.00 0.00 N ATOM 984 CA ARG A 123 10.640 7.681 -0.128 1.00 0.00 C ATOM 985 C ARG A 123 11.200 8.513 1.023 1.00 0.00 C ATOM 986 O ARG A 123 10.898 9.699 1.156 1.00 0.00 O ATOM 987 CB ARG A 123 9.259 8.197 -0.537 1.00 0.00 C ATOM 988 CG ARG A 123 8.877 7.828 -1.961 1.00 0.00 C ATOM 989 CD ARG A 123 9.422 8.835 -2.961 1.00 0.00 C ATOM 990 NE ARG A 123 10.765 9.293 -2.602 1.00 0.00 N ATOM 991 CZ ARG A 123 11.897 8.801 -3.110 1.00 0.00 C ATOM 992 NH1 ARG A 123 11.876 7.796 -3.980 1.00 0.00 N ATOM 993 NH2 ARG A 123 13.062 9.311 -2.734 1.00 0.00 N ATOM 0 H ARG A 123 9.707 6.023 0.755 1.00 0.00 H new ATOM 0 HA ARG A 123 11.310 7.772 -0.983 1.00 0.00 H new ATOM 0 HB2 ARG A 123 8.512 7.796 0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 123 9.238 9.282 -0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 123 9.261 6.835 -2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 123 7.791 7.779 -2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 123 9.446 8.384 -3.953 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.750 9.691 -3.016 1.00 0.00 H new ATOM 0 HE ARG A 123 10.841 10.042 -1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 123 10.986 7.390 -4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 123 12.750 7.431 -4.359 1.00 0.00 H new ATOM 0 HH21 ARG A 123 13.090 10.076 -2.060 1.00 0.00 H new ATOM 0 HH22 ARG A 123 13.930 8.939 -3.119 1.00 0.00 H new ATOM 1007 N ASN A 124 12.016 7.870 1.856 1.00 0.00 N ATOM 1008 CA ASN A 124 12.630 8.522 3.000 1.00 0.00 C ATOM 1009 C ASN A 124 13.854 7.731 3.463 1.00 0.00 C ATOM 1010 O ASN A 124 14.255 7.809 4.624 1.00 0.00 O ATOM 1011 CB ASN A 124 11.610 8.625 4.135 1.00 0.00 C ATOM 1012 CG ASN A 124 11.809 9.858 4.992 1.00 0.00 C ATOM 1013 OD1 ASN A 124 12.406 9.794 6.066 1.00 0.00 O ATOM 1014 ND2 ASN A 124 11.308 10.992 4.517 1.00 0.00 N ATOM 0 H ASN A 124 12.266 6.887 1.754 1.00 0.00 H new ATOM 0 HA ASN A 124 12.952 9.523 2.713 1.00 0.00 H new ATOM 0 HB2 ASN A 124 10.605 8.639 3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 124 11.680 7.737 4.763 1.00 0.00 H new ATOM 0 HD21 ASN A 124 11.411 11.857 5.048 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.820 10.998 3.621 1.00 0.00 H new ATOM 1021 N ARG A 125 14.452 6.977 2.539 1.00 0.00 N ATOM 1022 CA ARG A 125 15.615 6.154 2.854 1.00 0.00 C ATOM 1023 C ARG A 125 16.908 6.949 2.725 1.00 0.00 C ATOM 1024 O ARG A 125 17.679 6.757 1.784 1.00 0.00 O ATOM 1025 CB ARG A 125 15.656 4.925 1.940 1.00 0.00 C ATOM 1026 CG ARG A 125 16.717 3.907 2.331 1.00 0.00 C ATOM 1027 CD ARG A 125 16.416 2.538 1.739 1.00 0.00 C ATOM 1028 NE ARG A 125 17.421 2.122 0.765 1.00 0.00 N ATOM 1029 CZ ARG A 125 17.433 2.527 -0.501 1.00 0.00 C ATOM 1030 NH1 ARG A 125 16.521 3.389 -0.931 1.00 0.00 N ATOM 1031 NH2 ARG A 125 18.358 2.076 -1.336 1.00 0.00 N ATOM 0 H ARG A 125 14.148 6.921 1.567 1.00 0.00 H new ATOM 0 HA ARG A 125 15.524 5.826 3.890 1.00 0.00 H new ATOM 0 HB2 ARG A 125 14.679 4.441 1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 125 15.838 5.251 0.916 1.00 0.00 H new ATOM 0 HG2 ARG A 125 17.694 4.247 1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 125 16.769 3.832 3.417 1.00 0.00 H new ATOM 0 HD2 ARG A 125 16.364 1.801 2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 125 15.437 2.559 1.261 1.00 0.00 H new ATOM 0 HE ARG A 125 18.155 1.485 1.073 1.00 0.00 H new ATOM 0 HH11 ARG A 125 15.810 3.741 -0.290 1.00 0.00 H new ATOM 0 HH12 ARG A 125 16.531 3.699 -1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 125 19.063 1.416 -1.008 1.00 0.00 H new ATOM 0 HH22 ARG A 125 18.365 2.389 -2.307 1.00 0.00 H new ATOM 1045 N ARG A 126 17.134 7.847 3.677 1.00 0.00 N ATOM 1046 CA ARG A 126 18.336 8.670 3.686 1.00 0.00 C ATOM 1047 C ARG A 126 18.927 8.750 5.088 1.00 0.00 C ATOM 1048 O ARG A 126 18.283 9.235 6.017 1.00 0.00 O ATOM 1049 CB ARG A 126 18.031 10.085 3.180 1.00 0.00 C ATOM 1050 CG ARG A 126 17.571 10.136 1.731 1.00 0.00 C ATOM 1051 CD ARG A 126 17.294 11.564 1.284 1.00 0.00 C ATOM 1052 NE ARG A 126 18.472 12.190 0.672 1.00 0.00 N ATOM 1053 CZ ARG A 126 18.534 12.645 -0.587 1.00 0.00 C ATOM 1054 NH1 ARG A 126 17.503 12.530 -1.420 1.00 0.00 N ATOM 1055 NH2 ARG A 126 19.649 13.219 -1.020 1.00 0.00 N ATOM 0 H ARG A 126 16.498 8.023 4.455 1.00 0.00 H new ATOM 0 HA ARG A 126 19.061 8.202 3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 126 17.261 10.528 3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 126 18.925 10.700 3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 126 18.334 9.695 1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 126 16.669 9.535 1.613 1.00 0.00 H new ATOM 0 HD2 ARG A 126 16.471 11.566 0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 126 16.974 12.156 2.141 1.00 0.00 H new ATOM 0 HE ARG A 126 19.308 12.286 1.249 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.640 12.087 -1.105 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.576 12.885 -2.374 1.00 0.00 H new ATOM 0 HH21 ARG A 126 20.451 13.311 -0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 126 19.705 13.568 -1.977 1.00 0.00 H new ATOM 1069 N LYS A 127 20.143 8.240 5.240 1.00 0.00 N ATOM 1070 CA LYS A 127 20.836 8.280 6.525 1.00 0.00 C ATOM 1071 C LYS A 127 22.239 8.878 6.387 1.00 0.00 C ATOM 1072 O LYS A 127 22.876 9.215 7.386 1.00 0.00 O ATOM 1073 CB LYS A 127 20.914 6.882 7.139 1.00 0.00 C ATOM 1074 CG LYS A 127 20.107 6.740 8.421 1.00 0.00 C ATOM 1075 CD LYS A 127 20.707 7.561 9.555 1.00 0.00 C ATOM 1076 CE LYS A 127 19.866 7.466 10.819 1.00 0.00 C ATOM 1077 NZ LYS A 127 20.539 8.103 11.985 1.00 0.00 N ATOM 0 H LYS A 127 20.671 7.793 4.490 1.00 0.00 H new ATOM 0 HA LYS A 127 20.260 8.924 7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 127 20.557 6.153 6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 127 21.957 6.642 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 127 19.080 7.060 8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 127 20.067 5.690 8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 127 21.718 7.211 9.763 1.00 0.00 H new ATOM 0 HD3 LYS A 127 20.787 8.604 9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 127 18.902 7.946 10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 127 19.666 6.418 11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 19.933 8.016 12.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 21.448 7.629 12.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 20.707 9.109 11.782 1.00 0.00 H new ATOM 1091 N ARG A 128 22.723 9.004 5.151 1.00 0.00 N ATOM 1092 CA ARG A 128 24.033 9.581 4.897 1.00 0.00 C ATOM 1093 C ARG A 128 23.874 11.056 4.543 1.00 0.00 C ATOM 1094 O ARG A 128 23.737 11.413 3.373 1.00 0.00 O ATOM 1095 CB ARG A 128 24.733 8.827 3.759 1.00 0.00 C ATOM 1096 CG ARG A 128 26.250 8.802 3.875 1.00 0.00 C ATOM 1097 CD ARG A 128 26.869 10.115 3.421 1.00 0.00 C ATOM 1098 NE ARG A 128 27.992 10.513 4.269 1.00 0.00 N ATOM 1099 CZ ARG A 128 29.272 10.236 4.011 1.00 0.00 C ATOM 1100 NH1 ARG A 128 29.613 9.524 2.944 1.00 0.00 N ATOM 1101 NH2 ARG A 128 30.215 10.669 4.837 1.00 0.00 N ATOM 0 H ARG A 128 22.222 8.712 4.312 1.00 0.00 H new ATOM 0 HA ARG A 128 24.648 9.493 5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 128 24.364 7.802 3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 128 24.459 9.287 2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 128 26.533 8.604 4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 128 26.648 7.985 3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 128 27.210 10.018 2.390 1.00 0.00 H new ATOM 0 HD3 ARG A 128 26.110 10.897 3.434 1.00 0.00 H new ATOM 0 HE ARG A 128 27.782 11.039 5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 128 28.893 9.181 2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 128 30.595 9.320 2.760 1.00 0.00 H new ATOM 0 HH21 ARG A 128 29.960 11.210 5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 128 31.195 10.461 4.646 1.00 0.00 H new ATOM 1115 N LYS A 129 23.865 11.908 5.566 1.00 0.00 N ATOM 1116 CA LYS A 129 23.697 13.343 5.361 1.00 0.00 C ATOM 1117 C LYS A 129 25.046 14.041 5.208 1.00 0.00 C ATOM 1118 O LYS A 129 25.443 14.406 4.101 1.00 0.00 O ATOM 1119 CB LYS A 129 22.903 13.958 6.523 1.00 0.00 C ATOM 1120 CG LYS A 129 21.842 13.031 7.095 1.00 0.00 C ATOM 1121 CD LYS A 129 21.007 13.725 8.162 1.00 0.00 C ATOM 1122 CE LYS A 129 21.521 13.431 9.563 1.00 0.00 C ATOM 1123 NZ LYS A 129 22.934 13.862 9.743 1.00 0.00 N ATOM 0 H LYS A 129 23.972 11.630 6.542 1.00 0.00 H new ATOM 0 HA LYS A 129 23.138 13.489 4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 129 23.595 14.237 7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 129 22.425 14.875 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 129 21.192 12.683 6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 129 22.320 12.150 7.523 1.00 0.00 H new ATOM 0 HD2 LYS A 129 21.018 14.801 7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 129 19.970 13.400 8.080 1.00 0.00 H new ATOM 0 HE2 LYS A 129 20.892 13.939 10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 129 21.440 12.362 9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 23.185 13.817 10.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 23.561 13.233 9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 23.045 14.838 9.402 1.00 0.00 H new ATOM 1137 N GLY A 130 25.752 14.212 6.318 1.00 0.00 N ATOM 1138 CA GLY A 130 27.042 14.865 6.283 1.00 0.00 C ATOM 1139 C GLY A 130 28.065 14.118 7.106 1.00 0.00 C ATOM 1140 O GLY A 130 28.327 12.942 6.856 1.00 0.00 O ATOM 0 H GLY A 130 25.451 13.908 7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 130 27.386 14.937 5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 130 26.945 15.884 6.659 1.00 0.00 H new ATOM 1144 N SER A 131 28.639 14.791 8.092 1.00 0.00 N ATOM 1145 CA SER A 131 29.632 14.171 8.956 1.00 0.00 C ATOM 1146 C SER A 131 29.175 14.202 10.410 1.00 0.00 C ATOM 1147 O SER A 131 29.590 15.125 11.142 1.00 0.00 O ATOM 1148 CB SER A 131 30.982 14.873 8.805 1.00 0.00 C ATOM 1149 OG SER A 131 30.821 16.276 8.694 1.00 0.00 O ATOM 1150 OXT SER A 131 28.399 13.305 10.804 1.00 0.00 O ATOM 0 H SER A 131 28.434 15.765 8.314 1.00 0.00 H new ATOM 0 HA SER A 131 29.746 13.129 8.656 1.00 0.00 H new ATOM 0 HB2 SER A 131 31.612 14.644 9.664 1.00 0.00 H new ATOM 0 HB3 SER A 131 31.496 14.492 7.922 1.00 0.00 H new ATOM 0 HG SER A 131 30.305 16.608 9.458 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.075 -5.403 1.978 1.00 0.00 ZN