USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 26:sc= 0.0521 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.37 USER MOD Single : A 25 SER OG : rot 180:sc= -0.519 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot -170:sc= -0.761 USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -0.634 (180deg=-1.53) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0825 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 170:sc= -0.0268 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 1.18 K(o=1.2,f=-2.7!) USER MOD Single : A 72 LYS NZ :NH3+ -124:sc= -1.5 (180deg=-1.67) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 30:sc= 0.118 USER MOD Single : A 80 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.12) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.389 K(o=-0.39,f=-1.3) USER MOD Single : A 97 HIS : no HD1:sc= -0.506 K(o=-0.51,f=-0.004) USER MOD Single : A 98 SER OG : rot 130:sc= -0.0972 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 14.178 7.193 5.378 1.00 0.00 N ATOM 67 CA PRO A 8 14.130 7.176 3.913 1.00 0.00 C ATOM 68 C PRO A 8 12.999 8.037 3.360 1.00 0.00 C ATOM 69 O PRO A 8 12.075 8.424 4.075 1.00 0.00 O ATOM 70 CB PRO A 8 13.888 5.700 3.584 1.00 0.00 C ATOM 71 CG PRO A 8 13.214 5.148 4.793 1.00 0.00 C ATOM 72 CD PRO A 8 13.781 5.902 5.964 1.00 0.00 C ATOM 0 HA PRO A 8 15.039 7.583 3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.264 5.589 2.697 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.825 5.181 3.381 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.134 5.278 4.731 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.401 4.079 4.890 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.042 6.030 6.755 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.632 5.381 6.403 1.00 0.00 H new ATOM 80 N PRO A 9 13.072 8.344 2.057 1.00 0.00 N ATOM 81 CA PRO A 9 12.062 9.162 1.379 1.00 0.00 C ATOM 82 C PRO A 9 10.729 8.435 1.234 1.00 0.00 C ATOM 83 O PRO A 9 10.693 7.225 1.016 1.00 0.00 O ATOM 84 CB PRO A 9 12.681 9.423 0.004 1.00 0.00 C ATOM 85 CG PRO A 9 13.614 8.282 -0.214 1.00 0.00 C ATOM 86 CD PRO A 9 14.145 7.917 1.144 1.00 0.00 C ATOM 0 HA PRO A 9 11.831 10.070 1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.917 9.464 -0.773 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.209 10.376 -0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.098 7.438 -0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.424 8.563 -0.887 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.339 6.848 1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.083 8.429 1.359 1.00 0.00 H new ATOM 94 N ALA A 10 9.637 9.182 1.355 1.00 0.00 N ATOM 95 CA ALA A 10 8.302 8.609 1.234 1.00 0.00 C ATOM 96 C ALA A 10 8.151 7.839 -0.074 1.00 0.00 C ATOM 97 O ALA A 10 8.305 8.402 -1.158 1.00 0.00 O ATOM 98 CB ALA A 10 7.248 9.702 1.331 1.00 0.00 C ATOM 0 H ALA A 10 9.650 10.186 1.537 1.00 0.00 H new ATOM 0 HA ALA A 10 8.159 7.908 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.256 9.260 1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.333 10.205 2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.399 10.425 0.529 1.00 0.00 H new ATOM 104 N VAL A 11 7.851 6.549 0.035 1.00 0.00 N ATOM 105 CA VAL A 11 7.679 5.702 -1.139 1.00 0.00 C ATOM 106 C VAL A 11 6.982 6.458 -2.264 1.00 0.00 C ATOM 107 O VAL A 11 5.883 6.983 -2.086 1.00 0.00 O ATOM 108 CB VAL A 11 6.866 4.437 -0.804 1.00 0.00 C ATOM 109 CG1 VAL A 11 6.699 3.567 -2.041 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.533 3.658 0.320 1.00 0.00 C ATOM 0 H VAL A 11 7.722 6.067 0.925 1.00 0.00 H new ATOM 0 HA VAL A 11 8.676 5.408 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 11 5.875 4.741 -0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.122 2.678 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.175 4.130 -2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.680 3.269 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.946 2.768 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.536 3.363 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.596 4.285 1.210 1.00 0.00 H new ATOM 120 N SER A 12 7.628 6.509 -3.424 1.00 0.00 N ATOM 121 CA SER A 12 7.072 7.204 -4.579 1.00 0.00 C ATOM 122 C SER A 12 6.908 6.251 -5.760 1.00 0.00 C ATOM 123 O SER A 12 7.263 5.075 -5.676 1.00 0.00 O ATOM 124 CB SER A 12 7.970 8.377 -4.977 1.00 0.00 C ATOM 125 OG SER A 12 9.266 7.929 -5.334 1.00 0.00 O ATOM 0 H SER A 12 8.537 6.077 -3.589 1.00 0.00 H new ATOM 0 HA SER A 12 6.089 7.586 -4.303 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.524 8.913 -5.815 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.041 9.082 -4.149 1.00 0.00 H new ATOM 0 HG SER A 12 9.820 8.697 -5.586 1.00 0.00 H new ATOM 131 N ASP A 13 6.369 6.768 -6.858 1.00 0.00 N ATOM 132 CA ASP A 13 6.158 5.965 -8.057 1.00 0.00 C ATOM 133 C ASP A 13 5.519 4.624 -7.708 1.00 0.00 C ATOM 134 O ASP A 13 6.038 3.566 -8.066 1.00 0.00 O ATOM 135 CB ASP A 13 7.485 5.738 -8.784 1.00 0.00 C ATOM 136 CG ASP A 13 7.295 5.470 -10.264 1.00 0.00 C ATOM 137 OD1 ASP A 13 6.293 4.818 -10.626 1.00 0.00 O ATOM 138 OD2 ASP A 13 8.149 5.913 -11.061 1.00 0.00 O ATOM 0 H ASP A 13 6.070 7.740 -6.943 1.00 0.00 H new ATOM 0 HA ASP A 13 5.480 6.509 -8.715 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.121 6.614 -8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.006 4.896 -8.329 1.00 0.00 H new ATOM 143 N ILE A 14 4.392 4.677 -7.006 1.00 0.00 N ATOM 144 CA ILE A 14 3.683 3.467 -6.609 1.00 0.00 C ATOM 145 C ILE A 14 2.543 3.156 -7.573 1.00 0.00 C ATOM 146 O ILE A 14 1.450 3.709 -7.456 1.00 0.00 O ATOM 147 CB ILE A 14 3.115 3.590 -5.183 1.00 0.00 C ATOM 148 CG1 ILE A 14 4.154 4.214 -4.249 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.683 2.226 -4.666 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.551 4.867 -3.025 1.00 0.00 C ATOM 0 H ILE A 14 3.951 5.544 -6.701 1.00 0.00 H new ATOM 0 HA ILE A 14 4.408 2.654 -6.634 1.00 0.00 H new ATOM 0 HB ILE A 14 2.241 4.241 -5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.855 3.442 -3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.728 4.958 -4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.284 2.329 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.914 1.816 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.541 1.555 -4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.345 5.288 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.872 5.662 -3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.001 4.123 -2.449 1.00 0.00 H new ATOM 162 N ARG A 15 2.806 2.265 -8.524 1.00 0.00 N ATOM 163 CA ARG A 15 1.802 1.880 -9.508 1.00 0.00 C ATOM 164 C ARG A 15 1.262 0.483 -9.215 1.00 0.00 C ATOM 165 O ARG A 15 2.025 -0.445 -8.947 1.00 0.00 O ATOM 166 CB ARG A 15 2.395 1.924 -10.917 1.00 0.00 C ATOM 167 CG ARG A 15 1.382 1.639 -12.014 1.00 0.00 C ATOM 168 CD ARG A 15 0.441 2.816 -12.222 1.00 0.00 C ATOM 169 NE ARG A 15 -0.528 2.562 -13.285 1.00 0.00 N ATOM 170 CZ ARG A 15 -1.164 3.523 -13.945 1.00 0.00 C ATOM 171 NH1 ARG A 15 -0.934 4.796 -13.653 1.00 0.00 N ATOM 172 NH2 ARG A 15 -2.031 3.212 -14.900 1.00 0.00 N ATOM 0 H ARG A 15 3.706 1.797 -8.633 1.00 0.00 H new ATOM 0 HA ARG A 15 0.977 2.590 -9.446 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.834 2.907 -11.086 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.205 1.197 -10.984 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.904 1.420 -12.945 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.805 0.751 -11.756 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.088 3.026 -11.292 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.022 3.705 -12.466 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.727 1.593 -13.534 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.267 5.039 -12.920 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.424 5.532 -14.161 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.210 2.234 -15.128 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.519 3.951 -15.406 1.00 0.00 H new ATOM 186 N VAL A 16 -0.059 0.341 -9.269 1.00 0.00 N ATOM 187 CA VAL A 16 -0.701 -0.942 -9.010 1.00 0.00 C ATOM 188 C VAL A 16 -0.673 -1.830 -10.249 1.00 0.00 C ATOM 189 O VAL A 16 -1.248 -1.491 -11.283 1.00 0.00 O ATOM 190 CB VAL A 16 -2.162 -0.757 -8.558 1.00 0.00 C ATOM 191 CG1 VAL A 16 -2.933 -2.060 -8.697 1.00 0.00 C ATOM 192 CG2 VAL A 16 -2.215 -0.247 -7.125 1.00 0.00 C ATOM 0 H VAL A 16 -0.705 1.099 -9.490 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.138 -1.422 -8.209 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.632 -0.014 -9.202 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.963 -1.910 -8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.923 -2.379 -9.739 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.466 -2.827 -8.079 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.254 -0.122 -6.822 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.728 -0.965 -6.465 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.700 0.712 -7.061 1.00 0.00 H new ATOM 202 N THR A 17 0.001 -2.971 -10.137 1.00 0.00 N ATOM 203 CA THR A 17 0.105 -3.909 -11.248 1.00 0.00 C ATOM 204 C THR A 17 -0.579 -5.230 -10.917 1.00 0.00 C ATOM 205 O THR A 17 -0.924 -5.490 -9.764 1.00 0.00 O ATOM 206 CB THR A 17 1.575 -4.183 -11.615 1.00 0.00 C ATOM 207 OG1 THR A 17 1.643 -5.013 -12.780 1.00 0.00 O ATOM 208 CG2 THR A 17 2.305 -4.856 -10.463 1.00 0.00 C ATOM 0 H THR A 17 0.483 -3.267 -9.288 1.00 0.00 H new ATOM 0 HA THR A 17 -0.395 -3.448 -12.100 1.00 0.00 H new ATOM 0 HB THR A 17 2.058 -3.228 -11.821 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.581 -5.181 -13.008 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.341 -5.039 -10.746 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.278 -4.208 -9.587 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.820 -5.804 -10.229 1.00 0.00 H new ATOM 216 N ARG A 18 -0.772 -6.063 -11.935 1.00 0.00 N ATOM 217 CA ARG A 18 -1.415 -7.358 -11.752 1.00 0.00 C ATOM 218 C ARG A 18 -2.700 -7.217 -10.942 1.00 0.00 C ATOM 219 O ARG A 18 -2.896 -7.910 -9.944 1.00 0.00 O ATOM 220 CB ARG A 18 -0.463 -8.330 -11.053 1.00 0.00 C ATOM 221 CG ARG A 18 -0.912 -9.780 -11.126 1.00 0.00 C ATOM 222 CD ARG A 18 0.249 -10.735 -10.897 1.00 0.00 C ATOM 223 NE ARG A 18 1.241 -10.656 -11.967 1.00 0.00 N ATOM 224 CZ ARG A 18 2.403 -11.300 -11.941 1.00 0.00 C ATOM 225 NH1 ARG A 18 2.717 -12.066 -10.905 1.00 0.00 N ATOM 226 NH2 ARG A 18 3.253 -11.178 -12.952 1.00 0.00 N ATOM 0 H ARG A 18 -0.492 -5.863 -12.895 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.668 -7.752 -12.736 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.527 -8.242 -11.501 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.366 -8.041 -10.007 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.686 -9.960 -10.380 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.358 -9.975 -12.101 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.725 -10.505 -9.944 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.129 -11.755 -10.827 1.00 0.00 H new ATOM 0 HE ARG A 18 1.030 -10.075 -12.778 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.066 -12.162 -10.126 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.610 -12.559 -10.887 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.015 -10.589 -13.750 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.145 -11.673 -12.931 1.00 0.00 H new ATOM 240 N SER A 19 -3.573 -6.314 -11.379 1.00 0.00 N ATOM 241 CA SER A 19 -4.838 -6.079 -10.692 1.00 0.00 C ATOM 242 C SER A 19 -5.672 -7.355 -10.638 1.00 0.00 C ATOM 243 O SER A 19 -5.401 -8.318 -11.355 1.00 0.00 O ATOM 244 CB SER A 19 -5.625 -4.971 -11.394 1.00 0.00 C ATOM 245 OG SER A 19 -5.862 -5.296 -12.753 1.00 0.00 O ATOM 0 H SER A 19 -3.427 -5.734 -12.205 1.00 0.00 H new ATOM 0 HA SER A 19 -4.617 -5.767 -9.671 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.575 -4.816 -10.883 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.073 -4.033 -11.332 1.00 0.00 H new ATOM 0 HG SER A 19 -6.368 -4.573 -13.179 1.00 0.00 H new ATOM 251 N SER A 20 -6.688 -7.354 -9.781 1.00 0.00 N ATOM 252 CA SER A 20 -7.560 -8.512 -9.628 1.00 0.00 C ATOM 253 C SER A 20 -8.991 -8.079 -9.322 1.00 0.00 C ATOM 254 O SER A 20 -9.244 -6.966 -8.861 1.00 0.00 O ATOM 255 CB SER A 20 -7.043 -9.424 -8.514 1.00 0.00 C ATOM 256 OG SER A 20 -6.089 -10.346 -9.012 1.00 0.00 O ATOM 0 H SER A 20 -6.927 -6.564 -9.182 1.00 0.00 H new ATOM 0 HA SER A 20 -7.558 -9.062 -10.569 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.593 -8.821 -7.725 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.877 -9.965 -8.066 1.00 0.00 H new ATOM 0 HG SER A 20 -5.663 -9.976 -9.813 1.00 0.00 H new ATOM 262 N PRO A 21 -9.950 -8.978 -9.585 1.00 0.00 N ATOM 263 CA PRO A 21 -11.372 -8.713 -9.345 1.00 0.00 C ATOM 264 C PRO A 21 -11.706 -8.645 -7.859 1.00 0.00 C ATOM 265 O PRO A 21 -12.578 -7.881 -7.444 1.00 0.00 O ATOM 266 CB PRO A 21 -12.071 -9.909 -9.997 1.00 0.00 C ATOM 267 CG PRO A 21 -11.055 -10.999 -9.975 1.00 0.00 C ATOM 268 CD PRO A 21 -9.721 -10.325 -10.136 1.00 0.00 C ATOM 0 HA PRO A 21 -11.681 -7.749 -9.750 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.968 -10.192 -9.446 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.383 -9.679 -11.016 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.100 -11.556 -9.039 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.231 -11.713 -10.780 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.936 -10.853 -9.594 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.415 -10.285 -11.181 1.00 0.00 H new ATOM 276 N SER A 22 -11.008 -9.448 -7.063 1.00 0.00 N ATOM 277 CA SER A 22 -11.234 -9.481 -5.623 1.00 0.00 C ATOM 278 C SER A 22 -9.922 -9.308 -4.863 1.00 0.00 C ATOM 279 O SER A 22 -9.814 -9.684 -3.696 1.00 0.00 O ATOM 280 CB SER A 22 -11.900 -10.798 -5.220 1.00 0.00 C ATOM 281 OG SER A 22 -13.291 -10.770 -5.491 1.00 0.00 O ATOM 0 H SER A 22 -10.281 -10.084 -7.391 1.00 0.00 H new ATOM 0 HA SER A 22 -11.895 -8.654 -5.365 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.437 -11.624 -5.761 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.737 -10.982 -4.158 1.00 0.00 H new ATOM 0 HG SER A 22 -13.693 -11.624 -5.226 1.00 0.00 H new ATOM 287 N SER A 23 -8.928 -8.736 -5.534 1.00 0.00 N ATOM 288 CA SER A 23 -7.621 -8.516 -4.925 1.00 0.00 C ATOM 289 C SER A 23 -6.884 -7.374 -5.618 1.00 0.00 C ATOM 290 O SER A 23 -7.269 -6.939 -6.704 1.00 0.00 O ATOM 291 CB SER A 23 -6.782 -9.794 -4.992 1.00 0.00 C ATOM 292 OG SER A 23 -7.527 -10.916 -4.552 1.00 0.00 O ATOM 0 H SER A 23 -9.002 -8.416 -6.500 1.00 0.00 H new ATOM 0 HA SER A 23 -7.775 -8.245 -3.881 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.443 -9.957 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.891 -9.681 -4.375 1.00 0.00 H new ATOM 0 HG SER A 23 -6.970 -11.720 -4.606 1.00 0.00 H new ATOM 298 N LEU A 24 -5.822 -6.892 -4.982 1.00 0.00 N ATOM 299 CA LEU A 24 -5.030 -5.799 -5.536 1.00 0.00 C ATOM 300 C LEU A 24 -3.573 -5.906 -5.095 1.00 0.00 C ATOM 301 O LEU A 24 -3.284 -6.081 -3.911 1.00 0.00 O ATOM 302 CB LEU A 24 -5.609 -4.452 -5.102 1.00 0.00 C ATOM 303 CG LEU A 24 -7.042 -4.162 -5.548 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.571 -2.910 -4.866 1.00 0.00 C ATOM 305 CD2 LEU A 24 -7.110 -4.017 -7.061 1.00 0.00 C ATOM 0 H LEU A 24 -5.489 -7.240 -4.083 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.068 -5.869 -6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.570 -4.396 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.964 -3.661 -5.485 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.671 -5.003 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.592 -2.720 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.559 -3.052 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.941 -2.060 -5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.137 -3.811 -7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.468 -3.195 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.773 -4.941 -7.531 1.00 0.00 H new ATOM 317 N SER A 25 -2.660 -5.796 -6.054 1.00 0.00 N ATOM 318 CA SER A 25 -1.234 -5.882 -5.766 1.00 0.00 C ATOM 319 C SER A 25 -0.615 -4.490 -5.665 1.00 0.00 C ATOM 320 O SER A 25 -1.225 -3.497 -6.064 1.00 0.00 O ATOM 321 CB SER A 25 -0.520 -6.692 -6.849 1.00 0.00 C ATOM 322 OG SER A 25 -0.554 -8.078 -6.555 1.00 0.00 O ATOM 0 H SER A 25 -2.883 -5.647 -7.038 1.00 0.00 H new ATOM 0 HA SER A 25 -1.113 -6.386 -4.807 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.992 -6.510 -7.814 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.515 -6.360 -6.933 1.00 0.00 H new ATOM 0 HG SER A 25 -0.093 -8.574 -7.263 1.00 0.00 H new ATOM 328 N LEU A 26 0.599 -4.427 -5.130 1.00 0.00 N ATOM 329 CA LEU A 26 1.302 -3.158 -4.977 1.00 0.00 C ATOM 330 C LEU A 26 2.797 -3.329 -5.226 1.00 0.00 C ATOM 331 O LEU A 26 3.380 -4.356 -4.879 1.00 0.00 O ATOM 332 CB LEU A 26 1.068 -2.589 -3.576 1.00 0.00 C ATOM 333 CG LEU A 26 -0.389 -2.499 -3.122 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.468 -2.262 -1.622 1.00 0.00 C ATOM 335 CD2 LEU A 26 -1.115 -1.394 -3.877 1.00 0.00 C ATOM 0 H LEU A 26 1.117 -5.239 -4.795 1.00 0.00 H new ATOM 0 HA LEU A 26 0.908 -2.461 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.613 -3.204 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.503 -1.590 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.878 -3.447 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.513 -2.201 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.015 -3.086 -1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.037 -1.329 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.151 -1.344 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.625 -0.440 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.090 -1.606 -4.946 1.00 0.00 H new ATOM 347 N ALA A 27 3.411 -2.316 -5.827 1.00 0.00 N ATOM 348 CA ALA A 27 4.839 -2.354 -6.119 1.00 0.00 C ATOM 349 C ALA A 27 5.384 -0.953 -6.375 1.00 0.00 C ATOM 350 O ALA A 27 4.868 -0.222 -7.221 1.00 0.00 O ATOM 351 CB ALA A 27 5.110 -3.255 -7.314 1.00 0.00 C ATOM 0 H ALA A 27 2.943 -1.459 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 27 5.352 -2.761 -5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.180 -3.274 -7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.765 -4.265 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.579 -2.873 -8.186 1.00 0.00 H new ATOM 357 N TRP A 28 6.427 -0.585 -5.641 1.00 0.00 N ATOM 358 CA TRP A 28 7.041 0.730 -5.789 1.00 0.00 C ATOM 359 C TRP A 28 8.446 0.612 -6.370 1.00 0.00 C ATOM 360 O TRP A 28 8.999 -0.483 -6.462 1.00 0.00 O ATOM 361 CB TRP A 28 7.092 1.447 -4.439 1.00 0.00 C ATOM 362 CG TRP A 28 7.212 0.512 -3.274 1.00 0.00 C ATOM 363 CD1 TRP A 28 8.247 0.436 -2.387 1.00 0.00 C ATOM 364 CD2 TRP A 28 6.262 -0.481 -2.871 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.999 -0.545 -1.457 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.787 -1.122 -1.732 1.00 0.00 C ATOM 367 CE3 TRP A 28 5.019 -0.891 -3.361 1.00 0.00 C ATOM 368 CZ2 TRP A 28 6.112 -2.148 -1.078 1.00 0.00 C ATOM 369 CZ3 TRP A 28 4.350 -1.910 -2.711 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.897 -2.529 -1.579 1.00 0.00 C ATOM 0 H TRP A 28 6.866 -1.178 -4.937 1.00 0.00 H new ATOM 0 HA TRP A 28 6.431 1.313 -6.479 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.938 2.134 -4.433 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.191 2.049 -4.321 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.131 1.056 -2.412 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.617 -0.802 -0.687 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.589 -0.420 -4.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.532 -2.627 -0.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.389 -2.235 -3.082 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.349 -3.322 -1.092 1.00 0.00 H new ATOM 381 N ALA A 29 9.017 1.747 -6.761 1.00 0.00 N ATOM 382 CA ALA A 29 10.358 1.771 -7.331 1.00 0.00 C ATOM 383 C ALA A 29 11.410 1.994 -6.249 1.00 0.00 C ATOM 384 O ALA A 29 11.461 3.055 -5.628 1.00 0.00 O ATOM 385 CB ALA A 29 10.459 2.850 -8.398 1.00 0.00 C ATOM 0 H ALA A 29 8.571 2.662 -6.693 1.00 0.00 H new ATOM 0 HA ALA A 29 10.548 0.802 -7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.466 2.856 -8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.739 2.646 -9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.244 3.822 -7.954 1.00 0.00 H new ATOM 391 N VAL A 30 12.247 0.985 -6.028 1.00 0.00 N ATOM 392 CA VAL A 30 13.299 1.072 -5.022 1.00 0.00 C ATOM 393 C VAL A 30 13.870 2.483 -4.943 1.00 0.00 C ATOM 394 O VAL A 30 14.726 2.878 -5.734 1.00 0.00 O ATOM 395 CB VAL A 30 14.442 0.083 -5.318 1.00 0.00 C ATOM 396 CG1 VAL A 30 15.512 0.165 -4.240 1.00 0.00 C ATOM 397 CG2 VAL A 30 13.902 -1.334 -5.438 1.00 0.00 C ATOM 0 H VAL A 30 12.217 0.099 -6.532 1.00 0.00 H new ATOM 0 HA VAL A 30 12.844 0.814 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 30 14.898 0.356 -6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.311 -0.541 -4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.919 1.176 -4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.074 -0.081 -3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.723 -2.020 -5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.420 -1.620 -4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.176 -1.379 -6.250 1.00 0.00 H new ATOM 407 N PRO A 31 13.386 3.263 -3.965 1.00 0.00 N ATOM 408 CA PRO A 31 13.835 4.643 -3.759 1.00 0.00 C ATOM 409 C PRO A 31 15.267 4.716 -3.241 1.00 0.00 C ATOM 410 O PRO A 31 15.927 3.691 -3.068 1.00 0.00 O ATOM 411 CB PRO A 31 12.859 5.180 -2.708 1.00 0.00 C ATOM 412 CG PRO A 31 12.389 3.972 -1.975 1.00 0.00 C ATOM 413 CD PRO A 31 12.364 2.858 -2.986 1.00 0.00 C ATOM 0 HA PRO A 31 13.840 5.213 -4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.349 5.885 -2.036 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.027 5.709 -3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.057 3.733 -1.147 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.399 4.135 -1.549 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.602 1.897 -2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.382 2.757 -3.448 1.00 0.00 H new ATOM 421 N ARG A 32 15.742 5.933 -2.996 1.00 0.00 N ATOM 422 CA ARG A 32 17.097 6.138 -2.499 1.00 0.00 C ATOM 423 C ARG A 32 17.085 6.478 -1.011 1.00 0.00 C ATOM 424 O ARG A 32 16.236 7.236 -0.545 1.00 0.00 O ATOM 425 CB ARG A 32 17.787 7.256 -3.282 1.00 0.00 C ATOM 426 CG ARG A 32 17.237 8.640 -2.980 1.00 0.00 C ATOM 427 CD ARG A 32 18.166 9.732 -3.487 1.00 0.00 C ATOM 428 NE ARG A 32 17.479 11.013 -3.632 1.00 0.00 N ATOM 429 CZ ARG A 32 18.006 12.064 -4.250 1.00 0.00 C ATOM 430 NH1 ARG A 32 19.220 11.987 -4.777 1.00 0.00 N ATOM 431 NH2 ARG A 32 17.318 13.195 -4.341 1.00 0.00 N ATOM 0 H ARG A 32 15.209 6.791 -3.134 1.00 0.00 H new ATOM 0 HA ARG A 32 17.652 5.210 -2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 32 18.853 7.241 -3.057 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.684 7.058 -4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.256 8.752 -3.442 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.097 8.750 -1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 32 19.002 9.845 -2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 32 18.584 9.434 -4.449 1.00 0.00 H new ATOM 0 HE ARG A 32 16.543 11.105 -3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 32 19.752 11.119 -4.708 1.00 0.00 H new ATOM 0 HH12 ARG A 32 19.622 12.796 -5.251 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.384 13.258 -3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.723 14.002 -4.816 1.00 0.00 H new ATOM 445 N ALA A 33 18.032 5.910 -0.272 1.00 0.00 N ATOM 446 CA ALA A 33 18.131 6.153 1.162 1.00 0.00 C ATOM 447 C ALA A 33 19.420 6.893 1.505 1.00 0.00 C ATOM 448 O ALA A 33 20.380 6.906 0.735 1.00 0.00 O ATOM 449 CB ALA A 33 18.054 4.840 1.927 1.00 0.00 C ATOM 0 H ALA A 33 18.742 5.278 -0.643 1.00 0.00 H new ATOM 0 HA ALA A 33 17.292 6.782 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 33 18.129 5.037 2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 33 17.104 4.350 1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 33 18.874 4.191 1.619 1.00 0.00 H new ATOM 455 N PRO A 34 19.444 7.523 2.689 1.00 0.00 N ATOM 456 CA PRO A 34 20.610 8.277 3.161 1.00 0.00 C ATOM 457 C PRO A 34 21.784 7.369 3.510 1.00 0.00 C ATOM 458 O PRO A 34 22.911 7.600 3.074 1.00 0.00 O ATOM 459 CB PRO A 34 20.090 8.985 4.414 1.00 0.00 C ATOM 460 CG PRO A 34 18.965 8.134 4.892 1.00 0.00 C ATOM 461 CD PRO A 34 18.335 7.549 3.658 1.00 0.00 C ATOM 0 HA PRO A 34 20.993 8.956 2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.869 9.073 5.171 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.752 9.996 4.186 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.325 7.348 5.556 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.243 8.723 5.457 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.940 6.550 3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 34 17.505 8.159 3.303 1.00 0.00 H new ATOM 469 N SER A 35 21.512 6.334 4.300 1.00 0.00 N ATOM 470 CA SER A 35 22.548 5.393 4.710 1.00 0.00 C ATOM 471 C SER A 35 21.984 3.980 4.821 1.00 0.00 C ATOM 472 O SER A 35 20.975 3.752 5.487 1.00 0.00 O ATOM 473 CB SER A 35 23.152 5.820 6.049 1.00 0.00 C ATOM 474 OG SER A 35 23.901 7.015 5.913 1.00 0.00 O ATOM 0 H SER A 35 20.584 6.126 4.668 1.00 0.00 H new ATOM 0 HA SER A 35 23.329 5.395 3.950 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.357 5.967 6.780 1.00 0.00 H new ATOM 0 HB3 SER A 35 23.794 5.026 6.431 1.00 0.00 H new ATOM 0 HG SER A 35 24.275 7.267 6.783 1.00 0.00 H new ATOM 480 N GLY A 36 22.645 3.033 4.162 1.00 0.00 N ATOM 481 CA GLY A 36 22.196 1.653 4.198 1.00 0.00 C ATOM 482 C GLY A 36 21.091 1.377 3.198 1.00 0.00 C ATOM 483 O GLY A 36 20.765 2.228 2.372 1.00 0.00 O ATOM 0 H GLY A 36 23.483 3.197 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 36 23.040 0.994 3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.842 1.415 5.201 1.00 0.00 H new ATOM 487 N ALA A 37 20.514 0.181 3.271 1.00 0.00 N ATOM 488 CA ALA A 37 19.439 -0.205 2.366 1.00 0.00 C ATOM 489 C ALA A 37 18.081 -0.108 3.052 1.00 0.00 C ATOM 490 O ALA A 37 17.982 -0.220 4.274 1.00 0.00 O ATOM 491 CB ALA A 37 19.669 -1.616 1.845 1.00 0.00 C ATOM 0 H ALA A 37 20.774 -0.537 3.948 1.00 0.00 H new ATOM 0 HA ALA A 37 19.441 0.487 1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.858 -1.891 1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.617 -1.656 1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.696 -2.313 2.682 1.00 0.00 H new ATOM 497 N VAL A 38 17.035 0.103 2.259 1.00 0.00 N ATOM 498 CA VAL A 38 15.682 0.215 2.790 1.00 0.00 C ATOM 499 C VAL A 38 15.226 -1.100 3.413 1.00 0.00 C ATOM 500 O VAL A 38 15.280 -2.153 2.776 1.00 0.00 O ATOM 501 CB VAL A 38 14.681 0.627 1.695 1.00 0.00 C ATOM 502 CG1 VAL A 38 13.285 0.782 2.278 1.00 0.00 C ATOM 503 CG2 VAL A 38 15.132 1.913 1.018 1.00 0.00 C ATOM 0 H VAL A 38 17.099 0.200 1.246 1.00 0.00 H new ATOM 0 HA VAL A 38 15.706 0.988 3.558 1.00 0.00 H new ATOM 0 HB VAL A 38 14.648 -0.160 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.592 1.073 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.964 -0.165 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.297 1.549 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.413 2.190 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.195 2.711 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.111 1.761 0.564 1.00 0.00 H new ATOM 513 N LEU A 39 14.775 -1.032 4.660 1.00 0.00 N ATOM 514 CA LEU A 39 14.308 -2.218 5.370 1.00 0.00 C ATOM 515 C LEU A 39 12.853 -2.521 5.025 1.00 0.00 C ATOM 516 O LEU A 39 12.242 -1.831 4.209 1.00 0.00 O ATOM 517 CB LEU A 39 14.455 -2.024 6.880 1.00 0.00 C ATOM 518 CG LEU A 39 15.876 -2.128 7.435 1.00 0.00 C ATOM 519 CD1 LEU A 39 15.933 -1.600 8.860 1.00 0.00 C ATOM 520 CD2 LEU A 39 16.368 -3.567 7.377 1.00 0.00 C ATOM 0 H LEU A 39 14.723 -0.169 5.201 1.00 0.00 H new ATOM 0 HA LEU A 39 14.921 -3.063 5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.055 -1.044 7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 39 13.835 -2.765 7.383 1.00 0.00 H new ATOM 0 HG LEU A 39 16.532 -1.516 6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 39 16.952 -1.682 9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.624 -0.555 8.873 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.264 -2.184 9.491 1.00 0.00 H new ATOM 0 HD21 LEU A 39 17.381 -3.622 7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 39 15.709 -4.201 7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 39 16.367 -3.911 6.343 1.00 0.00 H new ATOM 532 N ASP A 40 12.305 -3.556 5.652 1.00 0.00 N ATOM 533 CA ASP A 40 10.921 -3.949 5.414 1.00 0.00 C ATOM 534 C ASP A 40 10.035 -2.723 5.212 1.00 0.00 C ATOM 535 O ASP A 40 10.316 -1.648 5.743 1.00 0.00 O ATOM 536 CB ASP A 40 10.397 -4.785 6.582 1.00 0.00 C ATOM 537 CG ASP A 40 11.487 -5.610 7.237 1.00 0.00 C ATOM 538 OD1 ASP A 40 12.430 -6.019 6.527 1.00 0.00 O ATOM 539 OD2 ASP A 40 11.397 -5.848 8.460 1.00 0.00 O ATOM 0 H ASP A 40 12.798 -4.138 6.329 1.00 0.00 H new ATOM 0 HA ASP A 40 10.892 -4.550 4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.948 -4.125 7.325 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.608 -5.447 6.226 1.00 0.00 H new ATOM 544 N TYR A 41 8.966 -2.892 4.442 1.00 0.00 N ATOM 545 CA TYR A 41 8.041 -1.799 4.167 1.00 0.00 C ATOM 546 C TYR A 41 6.675 -2.073 4.788 1.00 0.00 C ATOM 547 O TYR A 41 6.393 -3.188 5.225 1.00 0.00 O ATOM 548 CB TYR A 41 7.897 -1.592 2.659 1.00 0.00 C ATOM 549 CG TYR A 41 9.218 -1.474 1.934 1.00 0.00 C ATOM 550 CD1 TYR A 41 10.127 -2.525 1.929 1.00 0.00 C ATOM 551 CD2 TYR A 41 9.559 -0.310 1.256 1.00 0.00 C ATOM 552 CE1 TYR A 41 11.336 -2.421 1.269 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.766 -0.198 0.592 1.00 0.00 C ATOM 554 CZ TYR A 41 11.651 -1.256 0.602 1.00 0.00 C ATOM 555 OH TYR A 41 12.854 -1.147 -0.057 1.00 0.00 O ATOM 0 H TYR A 41 8.718 -3.776 3.997 1.00 0.00 H new ATOM 0 HA TYR A 41 8.447 -0.891 4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.335 -2.426 2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.312 -0.690 2.479 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.884 -3.439 2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.869 0.521 1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.031 -3.248 1.275 1.00 0.00 H new ATOM 0 HE2 TYR A 41 11.015 0.713 0.068 1.00 0.00 H new ATOM 0 HH TYR A 41 12.990 -0.218 -0.338 1.00 0.00 H new ATOM 565 N GLU A 42 5.831 -1.047 4.821 1.00 0.00 N ATOM 566 CA GLU A 42 4.493 -1.176 5.387 1.00 0.00 C ATOM 567 C GLU A 42 3.441 -0.623 4.431 1.00 0.00 C ATOM 568 O GLU A 42 3.670 0.376 3.748 1.00 0.00 O ATOM 569 CB GLU A 42 4.412 -0.447 6.730 1.00 0.00 C ATOM 570 CG GLU A 42 3.325 -0.982 7.648 1.00 0.00 C ATOM 571 CD GLU A 42 1.944 -0.483 7.270 1.00 0.00 C ATOM 572 OE1 GLU A 42 1.656 0.707 7.512 1.00 0.00 O ATOM 573 OE2 GLU A 42 1.152 -1.284 6.732 1.00 0.00 O ATOM 0 H GLU A 42 6.050 -0.117 4.463 1.00 0.00 H new ATOM 0 HA GLU A 42 4.293 -2.236 5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.374 -0.526 7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.234 0.613 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.334 -2.072 7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.545 -0.689 8.675 1.00 0.00 H new ATOM 580 N VAL A 43 2.286 -1.280 4.386 1.00 0.00 N ATOM 581 CA VAL A 43 1.198 -0.854 3.515 1.00 0.00 C ATOM 582 C VAL A 43 -0.093 -0.661 4.302 1.00 0.00 C ATOM 583 O VAL A 43 -0.668 -1.619 4.819 1.00 0.00 O ATOM 584 CB VAL A 43 0.951 -1.874 2.387 1.00 0.00 C ATOM 585 CG1 VAL A 43 -0.217 -1.436 1.517 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.209 -2.059 1.552 1.00 0.00 C ATOM 0 H VAL A 43 2.080 -2.109 4.943 1.00 0.00 H new ATOM 0 HA VAL A 43 1.498 0.098 3.076 1.00 0.00 H new ATOM 0 HB VAL A 43 0.697 -2.834 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.376 -2.169 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.117 -1.360 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.004 -0.465 1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.017 -2.783 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.496 -1.105 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.017 -2.422 2.187 1.00 0.00 H new ATOM 596 N LYS A 44 -0.546 0.585 4.389 1.00 0.00 N ATOM 597 CA LYS A 44 -1.771 0.906 5.111 1.00 0.00 C ATOM 598 C LYS A 44 -2.884 1.303 4.146 1.00 0.00 C ATOM 599 O LYS A 44 -2.858 2.389 3.567 1.00 0.00 O ATOM 600 CB LYS A 44 -1.517 2.040 6.108 1.00 0.00 C ATOM 601 CG LYS A 44 -2.569 2.137 7.199 1.00 0.00 C ATOM 602 CD LYS A 44 -2.348 3.355 8.080 1.00 0.00 C ATOM 603 CE LYS A 44 -2.956 4.606 7.464 1.00 0.00 C ATOM 604 NZ LYS A 44 -4.376 4.790 7.870 1.00 0.00 N ATOM 0 H LYS A 44 -0.082 1.390 3.968 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.087 0.016 5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.540 1.895 6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.478 2.986 5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.560 2.189 6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.544 1.235 7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.789 3.180 9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.279 3.506 8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.376 5.478 7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.894 4.543 6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.657 5.779 7.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.983 4.163 7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.482 4.557 8.878 1.00 0.00 H new ATOM 618 N TYR A 45 -3.859 0.417 3.980 1.00 0.00 N ATOM 619 CA TYR A 45 -4.981 0.675 3.084 1.00 0.00 C ATOM 620 C TYR A 45 -6.299 0.687 3.852 1.00 0.00 C ATOM 621 O TYR A 45 -6.549 -0.177 4.694 1.00 0.00 O ATOM 622 CB TYR A 45 -5.031 -0.381 1.979 1.00 0.00 C ATOM 623 CG TYR A 45 -5.094 -1.800 2.499 1.00 0.00 C ATOM 624 CD1 TYR A 45 -4.016 -2.364 3.169 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.234 -2.575 2.321 1.00 0.00 C ATOM 626 CE1 TYR A 45 -4.069 -3.660 3.645 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.297 -3.871 2.795 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.212 -4.409 3.456 1.00 0.00 C ATOM 629 OH TYR A 45 -5.270 -5.700 3.930 1.00 0.00 O ATOM 0 H TYR A 45 -3.896 -0.486 4.453 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.835 1.657 2.633 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.901 -0.195 1.349 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.150 -0.274 1.346 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.121 -1.779 3.321 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.085 -2.157 1.803 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.221 -4.084 4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.191 -4.460 2.649 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.144 -6.088 3.716 1.00 0.00 H new ATOM 639 N HIS A 46 -7.140 1.672 3.555 1.00 0.00 N ATOM 640 CA HIS A 46 -8.435 1.797 4.215 1.00 0.00 C ATOM 641 C HIS A 46 -9.534 2.102 3.202 1.00 0.00 C ATOM 642 O HIS A 46 -9.274 2.672 2.143 1.00 0.00 O ATOM 643 CB HIS A 46 -8.385 2.896 5.277 1.00 0.00 C ATOM 644 CG HIS A 46 -8.569 4.275 4.722 1.00 0.00 C ATOM 645 ND1 HIS A 46 -9.782 4.930 4.721 1.00 0.00 N ATOM 646 CD2 HIS A 46 -7.683 5.124 4.150 1.00 0.00 C ATOM 647 CE1 HIS A 46 -9.635 6.122 4.170 1.00 0.00 C ATOM 648 NE2 HIS A 46 -8.371 6.264 3.815 1.00 0.00 N ATOM 0 H HIS A 46 -6.948 2.395 2.862 1.00 0.00 H new ATOM 0 HA HIS A 46 -8.663 0.846 4.697 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.159 2.706 6.021 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.427 2.846 5.794 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.631 4.939 3.988 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.416 6.855 4.033 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.971 7.087 3.365 1.00 0.00 H new ATOM 657 N GLU A 47 -10.763 1.718 3.536 1.00 0.00 N ATOM 658 CA GLU A 47 -11.900 1.950 2.653 1.00 0.00 C ATOM 659 C GLU A 47 -12.401 3.386 2.777 1.00 0.00 C ATOM 660 O GLU A 47 -12.707 3.857 3.872 1.00 0.00 O ATOM 661 CB GLU A 47 -13.033 0.974 2.978 1.00 0.00 C ATOM 662 CG GLU A 47 -13.975 0.725 1.812 1.00 0.00 C ATOM 663 CD GLU A 47 -15.147 -0.161 2.188 1.00 0.00 C ATOM 664 OE1 GLU A 47 -16.048 0.320 2.907 1.00 0.00 O ATOM 665 OE2 GLU A 47 -15.163 -1.336 1.764 1.00 0.00 O ATOM 0 H GLU A 47 -10.996 1.246 4.410 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.570 1.786 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.603 0.024 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.606 1.363 3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.350 1.679 1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.422 0.262 0.995 1.00 0.00 H new ATOM 672 N LYS A 48 -12.482 4.078 1.645 1.00 0.00 N ATOM 673 CA LYS A 48 -12.945 5.460 1.624 1.00 0.00 C ATOM 674 C LYS A 48 -14.089 5.665 2.612 1.00 0.00 C ATOM 675 O LYS A 48 -13.926 6.326 3.636 1.00 0.00 O ATOM 676 CB LYS A 48 -13.399 5.846 0.214 1.00 0.00 C ATOM 677 CG LYS A 48 -13.332 7.338 -0.059 1.00 0.00 C ATOM 678 CD LYS A 48 -11.905 7.796 -0.306 1.00 0.00 C ATOM 679 CE LYS A 48 -11.866 9.132 -1.032 1.00 0.00 C ATOM 680 NZ LYS A 48 -12.009 10.278 -0.093 1.00 0.00 N ATOM 0 H LYS A 48 -12.233 3.703 0.730 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.114 6.100 1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.778 5.324 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.423 5.503 0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.947 7.578 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.748 7.883 0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.380 7.882 0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.378 7.045 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.925 9.223 -1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.666 9.167 -1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.977 11.170 -0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.918 10.206 0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.232 10.260 0.598 1.00 0.00 H new ATOM 769 N VAL A 56 -9.068 0.373 8.694 1.00 0.00 N ATOM 770 CA VAL A 56 -7.716 0.466 8.155 1.00 0.00 C ATOM 771 C VAL A 56 -6.944 -0.828 8.381 1.00 0.00 C ATOM 772 O VAL A 56 -6.792 -1.282 9.516 1.00 0.00 O ATOM 773 CB VAL A 56 -6.938 1.634 8.789 1.00 0.00 C ATOM 774 CG1 VAL A 56 -5.531 1.712 8.216 1.00 0.00 C ATOM 775 CG2 VAL A 56 -7.681 2.945 8.581 1.00 0.00 C ATOM 0 HA VAL A 56 -7.814 0.644 7.084 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.858 1.455 9.861 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.996 2.543 8.676 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.002 0.782 8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.585 1.867 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.117 3.759 9.036 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.794 3.134 7.513 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.665 2.883 9.045 1.00 0.00 H new ATOM 785 N ARG A 57 -6.458 -1.419 7.295 1.00 0.00 N ATOM 786 CA ARG A 57 -5.701 -2.662 7.375 1.00 0.00 C ATOM 787 C ARG A 57 -4.209 -2.404 7.183 1.00 0.00 C ATOM 788 O ARG A 57 -3.815 -1.447 6.518 1.00 0.00 O ATOM 789 CB ARG A 57 -6.197 -3.655 6.322 1.00 0.00 C ATOM 790 CG ARG A 57 -7.465 -4.389 6.727 1.00 0.00 C ATOM 791 CD ARG A 57 -7.723 -5.591 5.831 1.00 0.00 C ATOM 792 NE ARG A 57 -8.844 -6.397 6.306 1.00 0.00 N ATOM 793 CZ ARG A 57 -9.150 -7.592 5.815 1.00 0.00 C ATOM 794 NH1 ARG A 57 -8.422 -8.118 4.840 1.00 0.00 N ATOM 795 NH2 ARG A 57 -10.186 -8.265 6.300 1.00 0.00 N ATOM 0 H ARG A 57 -6.575 -1.057 6.349 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.854 -3.088 8.367 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.378 -3.122 5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.412 -4.385 6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.382 -4.717 7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.314 -3.707 6.676 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.926 -5.250 4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.826 -6.209 5.786 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.424 -6.021 7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.624 -7.604 4.465 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.659 -9.036 4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.748 -7.864 7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.420 -9.183 5.922 1.00 0.00 H new ATOM 809 N PHE A 58 -3.385 -3.265 7.771 1.00 0.00 N ATOM 810 CA PHE A 58 -1.937 -3.130 7.667 1.00 0.00 C ATOM 811 C PHE A 58 -1.311 -4.400 7.097 1.00 0.00 C ATOM 812 O PHE A 58 -1.712 -5.512 7.444 1.00 0.00 O ATOM 813 CB PHE A 58 -1.332 -2.820 9.037 1.00 0.00 C ATOM 814 CG PHE A 58 -1.671 -1.448 9.546 1.00 0.00 C ATOM 815 CD1 PHE A 58 -2.892 -1.202 10.153 1.00 0.00 C ATOM 816 CD2 PHE A 58 -0.768 -0.405 9.419 1.00 0.00 C ATOM 817 CE1 PHE A 58 -3.207 0.059 10.621 1.00 0.00 C ATOM 818 CE2 PHE A 58 -1.077 0.859 9.886 1.00 0.00 C ATOM 819 CZ PHE A 58 -2.298 1.091 10.489 1.00 0.00 C ATOM 0 H PHE A 58 -3.695 -4.064 8.324 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.723 -2.305 6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.681 -3.562 9.755 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.248 -2.919 8.977 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.606 -2.005 10.262 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.189 -0.581 8.950 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.163 0.238 11.090 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.365 1.664 9.780 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.541 2.077 10.856 1.00 0.00 H new ATOM 829 N LEU A 59 -0.328 -4.226 6.221 1.00 0.00 N ATOM 830 CA LEU A 59 0.354 -5.358 5.603 1.00 0.00 C ATOM 831 C LEU A 59 1.867 -5.217 5.729 1.00 0.00 C ATOM 832 O LEU A 59 2.455 -4.250 5.243 1.00 0.00 O ATOM 833 CB LEU A 59 -0.038 -5.470 4.128 1.00 0.00 C ATOM 834 CG LEU A 59 0.855 -6.360 3.262 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.343 -7.792 3.264 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.929 -5.820 1.842 1.00 0.00 C ATOM 0 H LEU A 59 0.015 -3.313 5.923 1.00 0.00 H new ATOM 0 HA LEU A 59 0.048 -6.265 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.058 -5.849 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.046 -4.469 3.698 1.00 0.00 H new ATOM 0 HG LEU A 59 1.860 -6.355 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.991 -8.411 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.343 -8.177 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.672 -7.816 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.569 -6.466 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.071 -5.795 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.343 -4.812 1.857 1.00 0.00 H new ATOM 848 N LYS A 60 2.494 -6.190 6.383 1.00 0.00 N ATOM 849 CA LYS A 60 3.940 -6.178 6.570 1.00 0.00 C ATOM 850 C LYS A 60 4.638 -6.974 5.473 1.00 0.00 C ATOM 851 O LYS A 60 4.376 -8.164 5.292 1.00 0.00 O ATOM 852 CB LYS A 60 4.302 -6.753 7.941 1.00 0.00 C ATOM 853 CG LYS A 60 3.981 -5.821 9.097 1.00 0.00 C ATOM 854 CD LYS A 60 3.656 -6.594 10.364 1.00 0.00 C ATOM 855 CE LYS A 60 2.888 -5.736 11.358 1.00 0.00 C ATOM 856 NZ LYS A 60 2.555 -6.489 12.599 1.00 0.00 N ATOM 0 H LYS A 60 2.023 -6.997 6.792 1.00 0.00 H new ATOM 0 HA LYS A 60 4.279 -5.144 6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.768 -7.692 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.367 -6.986 7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.829 -5.161 9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.136 -5.187 8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.068 -7.476 10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.579 -6.947 10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.481 -4.858 11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.970 -5.376 10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.032 -5.870 13.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.968 -7.313 12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.432 -6.811 13.056 1.00 0.00 H new ATOM 870 N THR A 61 5.530 -6.312 4.743 1.00 0.00 N ATOM 871 CA THR A 61 6.266 -6.958 3.663 1.00 0.00 C ATOM 872 C THR A 61 7.746 -6.599 3.715 1.00 0.00 C ATOM 873 O THR A 61 8.119 -5.530 4.199 1.00 0.00 O ATOM 874 CB THR A 61 5.702 -6.565 2.285 1.00 0.00 C ATOM 875 OG1 THR A 61 6.446 -7.213 1.248 1.00 0.00 O ATOM 876 CG2 THR A 61 5.756 -5.057 2.088 1.00 0.00 C ATOM 0 H THR A 61 5.760 -5.328 4.880 1.00 0.00 H new ATOM 0 HA THR A 61 6.151 -8.033 3.801 1.00 0.00 H new ATOM 0 HB THR A 61 4.661 -6.885 2.239 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.987 -7.090 0.391 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.352 -4.803 1.108 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.164 -4.568 2.862 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.790 -4.718 2.153 1.00 0.00 H new ATOM 884 N SER A 62 8.587 -7.498 3.213 1.00 0.00 N ATOM 885 CA SER A 62 10.028 -7.277 3.206 1.00 0.00 C ATOM 886 C SER A 62 10.544 -7.111 1.780 1.00 0.00 C ATOM 887 O SER A 62 11.585 -7.658 1.418 1.00 0.00 O ATOM 888 CB SER A 62 10.748 -8.441 3.888 1.00 0.00 C ATOM 889 OG SER A 62 10.562 -9.648 3.168 1.00 0.00 O ATOM 0 H SER A 62 8.295 -8.386 2.806 1.00 0.00 H new ATOM 0 HA SER A 62 10.233 -6.360 3.758 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.813 -8.220 3.964 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.373 -8.559 4.905 1.00 0.00 H new ATOM 0 HG SER A 62 11.033 -10.377 3.623 1.00 0.00 H new ATOM 895 N GLU A 63 9.808 -6.351 0.975 1.00 0.00 N ATOM 896 CA GLU A 63 10.191 -6.113 -0.412 1.00 0.00 C ATOM 897 C GLU A 63 9.446 -4.909 -0.983 1.00 0.00 C ATOM 898 O GLU A 63 8.495 -4.412 -0.382 1.00 0.00 O ATOM 899 CB GLU A 63 9.907 -7.352 -1.262 1.00 0.00 C ATOM 900 CG GLU A 63 8.440 -7.522 -1.621 1.00 0.00 C ATOM 901 CD GLU A 63 8.039 -8.977 -1.766 1.00 0.00 C ATOM 902 OE1 GLU A 63 8.570 -9.652 -2.672 1.00 0.00 O ATOM 903 OE2 GLU A 63 7.194 -9.440 -0.971 1.00 0.00 O ATOM 0 H GLU A 63 8.944 -5.890 1.259 1.00 0.00 H new ATOM 0 HA GLU A 63 11.260 -5.902 -0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.492 -7.294 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.245 -8.237 -0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.825 -7.055 -0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.235 -6.998 -2.555 1.00 0.00 H new ATOM 910 N ASN A 64 9.888 -4.446 -2.148 1.00 0.00 N ATOM 911 CA ASN A 64 9.265 -3.301 -2.801 1.00 0.00 C ATOM 912 C ASN A 64 8.050 -3.733 -3.616 1.00 0.00 C ATOM 913 O ASN A 64 7.728 -3.127 -4.638 1.00 0.00 O ATOM 914 CB ASN A 64 10.274 -2.592 -3.705 1.00 0.00 C ATOM 915 CG ASN A 64 10.578 -3.382 -4.963 1.00 0.00 C ATOM 916 OD1 ASN A 64 10.920 -4.563 -4.900 1.00 0.00 O ATOM 917 ND2 ASN A 64 10.456 -2.732 -6.115 1.00 0.00 N ATOM 0 H ASN A 64 10.675 -4.846 -2.659 1.00 0.00 H new ATOM 0 HA ASN A 64 8.933 -2.610 -2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.885 -1.612 -3.980 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.198 -2.425 -3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.649 -3.212 -6.994 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.170 -1.753 -6.120 1.00 0.00 H new ATOM 924 N ARG A 65 7.380 -4.784 -3.156 1.00 0.00 N ATOM 925 CA ARG A 65 6.201 -5.299 -3.843 1.00 0.00 C ATOM 926 C ARG A 65 5.417 -6.248 -2.941 1.00 0.00 C ATOM 927 O ARG A 65 5.976 -7.190 -2.381 1.00 0.00 O ATOM 928 CB ARG A 65 6.608 -6.020 -5.130 1.00 0.00 C ATOM 929 CG ARG A 65 7.695 -7.062 -4.926 1.00 0.00 C ATOM 930 CD ARG A 65 8.109 -7.700 -6.243 1.00 0.00 C ATOM 931 NE ARG A 65 8.981 -8.854 -6.042 1.00 0.00 N ATOM 932 CZ ARG A 65 9.191 -9.786 -6.964 1.00 0.00 C ATOM 933 NH1 ARG A 65 8.595 -9.700 -8.146 1.00 0.00 N ATOM 934 NH2 ARG A 65 9.999 -10.807 -6.706 1.00 0.00 N ATOM 0 H ARG A 65 7.633 -5.296 -2.311 1.00 0.00 H new ATOM 0 HA ARG A 65 5.561 -4.454 -4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.730 -6.502 -5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.954 -5.284 -5.855 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.562 -6.598 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.338 -7.833 -4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.219 -8.009 -6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.622 -6.961 -6.858 1.00 0.00 H new ATOM 0 HE ARG A 65 9.455 -8.949 -5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.974 -8.917 -8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.758 -10.417 -8.853 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.459 -10.876 -5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.159 -11.522 -7.415 1.00 0.00 H new ATOM 948 N ALA A 66 4.120 -5.992 -2.807 1.00 0.00 N ATOM 949 CA ALA A 66 3.260 -6.825 -1.975 1.00 0.00 C ATOM 950 C ALA A 66 1.939 -7.123 -2.677 1.00 0.00 C ATOM 951 O ALA A 66 1.664 -6.590 -3.752 1.00 0.00 O ATOM 952 CB ALA A 66 3.007 -6.149 -0.636 1.00 0.00 C ATOM 0 H ALA A 66 3.642 -5.215 -3.263 1.00 0.00 H new ATOM 0 HA ALA A 66 3.771 -7.772 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.363 -6.782 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.956 -5.993 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.520 -5.188 -0.800 1.00 0.00 H new ATOM 958 N GLU A 67 1.127 -7.977 -2.063 1.00 0.00 N ATOM 959 CA GLU A 67 -0.164 -8.346 -2.631 1.00 0.00 C ATOM 960 C GLU A 67 -1.269 -8.241 -1.584 1.00 0.00 C ATOM 961 O GLU A 67 -1.090 -8.640 -0.433 1.00 0.00 O ATOM 962 CB GLU A 67 -0.111 -9.769 -3.191 1.00 0.00 C ATOM 963 CG GLU A 67 -1.322 -10.137 -4.033 1.00 0.00 C ATOM 964 CD GLU A 67 -1.259 -11.560 -4.554 1.00 0.00 C ATOM 965 OE1 GLU A 67 -0.368 -11.851 -5.379 1.00 0.00 O ATOM 966 OE2 GLU A 67 -2.102 -12.381 -4.136 1.00 0.00 O ATOM 0 H GLU A 67 1.340 -8.426 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.388 -7.652 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.789 -9.879 -3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.027 -10.473 -2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.226 -10.012 -3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.397 -9.449 -4.875 1.00 0.00 H new ATOM 973 N LEU A 68 -2.412 -7.700 -1.992 1.00 0.00 N ATOM 974 CA LEU A 68 -3.548 -7.541 -1.090 1.00 0.00 C ATOM 975 C LEU A 68 -4.715 -8.422 -1.524 1.00 0.00 C ATOM 976 O LEU A 68 -5.011 -8.536 -2.714 1.00 0.00 O ATOM 977 CB LEU A 68 -3.988 -6.077 -1.046 1.00 0.00 C ATOM 978 CG LEU A 68 -2.870 -5.037 -1.131 1.00 0.00 C ATOM 979 CD1 LEU A 68 -3.435 -3.673 -1.494 1.00 0.00 C ATOM 980 CD2 LEU A 68 -2.106 -4.967 0.184 1.00 0.00 C ATOM 0 H LEU A 68 -2.577 -7.364 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.235 -7.850 -0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.683 -5.902 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.541 -5.912 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.177 -5.340 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.624 -2.946 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.936 -3.732 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.150 -3.361 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.314 -4.222 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.788 -4.688 0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.668 -5.941 0.402 1.00 0.00 H new ATOM 992 N ARG A 69 -5.376 -9.041 -0.552 1.00 0.00 N ATOM 993 CA ARG A 69 -6.512 -9.910 -0.833 1.00 0.00 C ATOM 994 C ARG A 69 -7.730 -9.496 -0.012 1.00 0.00 C ATOM 995 O ARG A 69 -7.610 -8.769 0.972 1.00 0.00 O ATOM 996 CB ARG A 69 -6.153 -11.367 -0.533 1.00 0.00 C ATOM 997 CG ARG A 69 -5.103 -11.941 -1.471 1.00 0.00 C ATOM 998 CD ARG A 69 -4.264 -13.006 -0.782 1.00 0.00 C ATOM 999 NE ARG A 69 -3.517 -12.467 0.351 1.00 0.00 N ATOM 1000 CZ ARG A 69 -3.062 -13.211 1.353 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -3.277 -14.519 1.361 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -2.391 -12.647 2.348 1.00 0.00 N ATOM 0 H ARG A 69 -5.144 -8.957 0.438 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.758 -9.813 -1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.790 -11.439 0.492 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.055 -11.975 -0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.591 -12.370 -2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.455 -11.140 -1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.912 -13.812 -0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.569 -13.441 -1.500 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.334 -11.464 0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.793 -14.956 0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.927 -15.089 2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.224 -11.641 2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.042 -13.219 3.117 1.00 0.00 H new ATOM 1016 N GLY A 70 -8.904 -9.965 -0.426 1.00 0.00 N ATOM 1017 CA GLY A 70 -10.127 -9.633 0.281 1.00 0.00 C ATOM 1018 C GLY A 70 -10.461 -8.156 0.199 1.00 0.00 C ATOM 1019 O GLY A 70 -10.281 -7.416 1.167 1.00 0.00 O ATOM 0 H GLY A 70 -9.029 -10.569 -1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.952 -10.213 -0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.028 -9.923 1.327 1.00 0.00 H new ATOM 1023 N LEU A 71 -10.947 -7.725 -0.960 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.306 -6.326 -1.166 1.00 0.00 C ATOM 1025 C LEU A 71 -12.659 -6.208 -1.861 1.00 0.00 C ATOM 1026 O LEU A 71 -13.230 -7.203 -2.306 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.231 -5.620 -1.994 1.00 0.00 C ATOM 1028 CG LEU A 71 -8.833 -5.569 -1.375 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -7.807 -5.137 -2.411 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -8.813 -4.631 -0.178 1.00 0.00 C ATOM 0 H LEU A 71 -11.101 -8.324 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.377 -5.847 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.160 -6.118 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.560 -4.598 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.572 -6.570 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.818 -5.106 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.802 -5.848 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.064 -4.146 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.810 -4.608 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.095 -3.628 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.519 -4.985 0.573 1.00 0.00 H new ATOM 1042 N LYS A 72 -13.165 -4.983 -1.952 1.00 0.00 N ATOM 1043 CA LYS A 72 -14.449 -4.732 -2.596 1.00 0.00 C ATOM 1044 C LYS A 72 -14.259 -4.003 -3.923 1.00 0.00 C ATOM 1045 O LYS A 72 -14.017 -2.796 -3.949 1.00 0.00 O ATOM 1046 CB LYS A 72 -15.353 -3.909 -1.675 1.00 0.00 C ATOM 1047 CG LYS A 72 -16.221 -4.756 -0.760 1.00 0.00 C ATOM 1048 CD LYS A 72 -17.559 -5.079 -1.402 1.00 0.00 C ATOM 1049 CE LYS A 72 -17.387 -5.908 -2.665 1.00 0.00 C ATOM 1050 NZ LYS A 72 -16.705 -7.203 -2.390 1.00 0.00 N ATOM 0 H LYS A 72 -12.706 -4.148 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.922 -5.694 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.734 -3.249 -1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.995 -3.272 -2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.700 -5.682 -0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.385 -4.227 0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.183 -5.622 -0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.081 -4.153 -1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.364 -6.099 -3.110 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.810 -5.341 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.859 -7.284 -2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.425 -7.242 -1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.354 -7.988 -2.599 1.00 0.00 H new ATOM 1064 N ARG A 73 -14.372 -4.742 -5.021 1.00 0.00 N ATOM 1065 CA ARG A 73 -14.213 -4.166 -6.350 1.00 0.00 C ATOM 1066 C ARG A 73 -15.204 -3.027 -6.571 1.00 0.00 C ATOM 1067 O ARG A 73 -16.417 -3.229 -6.525 1.00 0.00 O ATOM 1068 CB ARG A 73 -14.407 -5.240 -7.422 1.00 0.00 C ATOM 1069 CG ARG A 73 -13.715 -4.920 -8.737 1.00 0.00 C ATOM 1070 CD ARG A 73 -13.762 -6.101 -9.694 1.00 0.00 C ATOM 1071 NE ARG A 73 -14.982 -6.106 -10.497 1.00 0.00 N ATOM 1072 CZ ARG A 73 -15.355 -7.128 -11.260 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -14.608 -8.221 -11.322 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -16.479 -7.057 -11.962 1.00 0.00 N ATOM 0 H ARG A 73 -14.573 -5.742 -5.016 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.202 -3.765 -6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.030 -6.190 -7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.474 -5.370 -7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.192 -4.056 -9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.677 -4.646 -8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.894 -6.068 -10.353 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.697 -7.030 -9.127 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.580 -5.280 -10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.744 -8.279 -10.783 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.897 -9.004 -11.909 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.057 -6.218 -11.916 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.765 -7.842 -12.548 1.00 0.00 H new ATOM 1088 N GLY A 74 -14.679 -1.829 -6.811 1.00 0.00 N ATOM 1089 CA GLY A 74 -15.531 -0.677 -7.035 1.00 0.00 C ATOM 1090 C GLY A 74 -15.351 0.392 -5.975 1.00 0.00 C ATOM 1091 O GLY A 74 -15.075 1.549 -6.292 1.00 0.00 O ATOM 0 H GLY A 74 -13.678 -1.636 -6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.313 -0.253 -8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.573 -0.997 -7.051 1.00 0.00 H new ATOM 1095 N ALA A 75 -15.509 0.005 -4.714 1.00 0.00 N ATOM 1096 CA ALA A 75 -15.361 0.939 -3.604 1.00 0.00 C ATOM 1097 C ALA A 75 -13.957 1.531 -3.568 1.00 0.00 C ATOM 1098 O ALA A 75 -12.998 0.858 -3.192 1.00 0.00 O ATOM 1099 CB ALA A 75 -15.677 0.247 -2.286 1.00 0.00 C ATOM 0 H ALA A 75 -15.739 -0.949 -4.435 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.068 1.755 -3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.562 0.956 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.702 -0.122 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.993 -0.589 -2.141 1.00 0.00 H new ATOM 1105 N SER A 76 -13.843 2.796 -3.963 1.00 0.00 N ATOM 1106 CA SER A 76 -12.554 3.478 -3.981 1.00 0.00 C ATOM 1107 C SER A 76 -11.686 3.030 -2.809 1.00 0.00 C ATOM 1108 O SER A 76 -12.167 2.890 -1.684 1.00 0.00 O ATOM 1109 CB SER A 76 -12.755 4.994 -3.932 1.00 0.00 C ATOM 1110 OG SER A 76 -13.355 5.467 -5.125 1.00 0.00 O ATOM 0 H SER A 76 -14.628 3.369 -4.275 1.00 0.00 H new ATOM 0 HA SER A 76 -12.045 3.216 -4.908 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.381 5.254 -3.078 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.794 5.487 -3.784 1.00 0.00 H new ATOM 0 HG SER A 76 -13.474 6.438 -5.068 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.405 2.807 -3.080 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.470 2.373 -2.050 1.00 0.00 C ATOM 1118 C TYR A 77 -8.239 3.274 -2.017 1.00 0.00 C ATOM 1119 O TYR A 77 -7.561 3.456 -3.029 1.00 0.00 O ATOM 1120 CB TYR A 77 -9.048 0.923 -2.292 1.00 0.00 C ATOM 1121 CG TYR A 77 -9.952 -0.090 -1.627 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -9.888 -0.314 -0.257 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -10.870 -0.824 -2.369 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -10.712 -1.239 0.354 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -11.698 -1.750 -1.765 1.00 0.00 C ATOM 1126 CZ TYR A 77 -11.616 -1.954 -0.404 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.438 -2.877 0.201 1.00 0.00 O ATOM 0 H TYR A 77 -9.990 2.920 -4.005 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.974 2.441 -1.086 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.031 0.733 -3.365 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.030 0.784 -1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.182 0.244 0.340 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.937 -0.668 -3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.649 -1.402 1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.406 -2.312 -2.356 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.620 -2.599 1.123 1.00 0.00 H new ATOM 1137 N LEU A 78 -7.956 3.834 -0.846 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.806 4.716 -0.679 1.00 0.00 C ATOM 1139 C LEU A 78 -5.679 4.007 0.065 1.00 0.00 C ATOM 1140 O LEU A 78 -5.710 3.883 1.290 1.00 0.00 O ATOM 1141 CB LEU A 78 -7.214 5.981 0.079 1.00 0.00 C ATOM 1142 CG LEU A 78 -8.274 6.854 -0.595 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -8.796 7.903 0.374 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -7.707 7.513 -1.844 1.00 0.00 C ATOM 0 H LEU A 78 -8.506 3.693 0.001 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.446 4.993 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.584 5.688 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.323 6.587 0.241 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.107 6.217 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.549 8.515 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.241 7.410 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.972 8.537 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.475 8.130 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.856 8.137 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.383 6.744 -2.546 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.683 3.543 -0.683 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.544 2.849 -0.095 1.00 0.00 C ATOM 1158 C VAL A 79 -2.321 3.757 -0.029 1.00 0.00 C ATOM 1159 O VAL A 79 -2.131 4.621 -0.884 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.185 1.582 -0.894 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -2.007 0.863 -0.255 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -4.391 0.659 -0.998 1.00 0.00 C ATOM 0 H VAL A 79 -4.642 3.635 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.836 2.563 0.915 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.895 1.879 -1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.768 -0.029 -0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.142 1.526 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.265 0.576 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.120 -0.231 -1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.714 0.368 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.204 1.179 -1.505 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.495 3.555 0.993 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.290 4.356 1.171 1.00 0.00 C ATOM 1174 C GLN A 80 0.877 3.490 1.632 1.00 0.00 C ATOM 1175 O GLN A 80 0.808 2.842 2.677 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.541 5.475 2.184 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.596 6.475 1.737 1.00 0.00 C ATOM 1178 CD GLN A 80 -2.263 7.179 2.902 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -2.808 6.537 3.801 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -2.225 8.506 2.892 1.00 0.00 N ATOM 0 H GLN A 80 -1.638 2.844 1.710 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.033 4.797 0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -0.849 5.033 3.132 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.394 6.004 2.368 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.135 7.217 1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.354 5.959 1.147 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.763 8.997 2.127 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.658 9.034 3.649 1.00 0.00 H new ATOM 1189 N VAL A 81 1.949 3.482 0.846 1.00 0.00 N ATOM 1190 CA VAL A 81 3.132 2.696 1.174 1.00 0.00 C ATOM 1191 C VAL A 81 4.230 3.574 1.764 1.00 0.00 C ATOM 1192 O VAL A 81 4.400 4.725 1.363 1.00 0.00 O ATOM 1193 CB VAL A 81 3.683 1.967 -0.066 1.00 0.00 C ATOM 1194 CG1 VAL A 81 4.902 1.135 0.301 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.605 1.098 -0.696 1.00 0.00 C ATOM 0 H VAL A 81 2.022 4.011 -0.023 1.00 0.00 H new ATOM 0 HA VAL A 81 2.825 1.957 1.914 1.00 0.00 H new ATOM 0 HB VAL A 81 3.990 2.714 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.277 0.627 -0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.679 1.785 0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.625 0.395 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.012 0.590 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.265 0.357 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.764 1.723 -0.997 1.00 0.00 H new ATOM 1205 N ARG A 82 4.973 3.022 2.717 1.00 0.00 N ATOM 1206 CA ARG A 82 6.055 3.755 3.363 1.00 0.00 C ATOM 1207 C ARG A 82 7.289 2.873 3.525 1.00 0.00 C ATOM 1208 O ARG A 82 7.183 1.649 3.607 1.00 0.00 O ATOM 1209 CB ARG A 82 5.603 4.275 4.729 1.00 0.00 C ATOM 1210 CG ARG A 82 5.557 3.201 5.804 1.00 0.00 C ATOM 1211 CD ARG A 82 5.410 3.807 7.191 1.00 0.00 C ATOM 1212 NE ARG A 82 5.136 2.793 8.205 1.00 0.00 N ATOM 1213 CZ ARG A 82 4.972 3.069 9.495 1.00 0.00 C ATOM 1214 NH1 ARG A 82 5.054 4.320 9.924 1.00 0.00 N ATOM 1215 NH2 ARG A 82 4.725 2.091 10.357 1.00 0.00 N ATOM 0 H ARG A 82 4.846 2.070 3.059 1.00 0.00 H new ATOM 0 HA ARG A 82 6.316 4.602 2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.279 5.068 5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.613 4.720 4.630 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.723 2.526 5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.467 2.603 5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.323 4.342 7.451 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.602 4.539 7.183 1.00 0.00 H new ATOM 0 HE ARG A 82 5.067 1.820 7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.243 5.074 9.264 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.928 4.529 10.914 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.661 1.127 10.030 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.599 2.303 11.347 1.00 0.00 H new ATOM 1229 N ALA A 83 8.459 3.503 3.571 1.00 0.00 N ATOM 1230 CA ALA A 83 9.712 2.775 3.725 1.00 0.00 C ATOM 1231 C ALA A 83 10.355 3.068 5.076 1.00 0.00 C ATOM 1232 O ALA A 83 10.183 4.152 5.634 1.00 0.00 O ATOM 1233 CB ALA A 83 10.669 3.128 2.596 1.00 0.00 C ATOM 0 H ALA A 83 8.565 4.515 3.504 1.00 0.00 H new ATOM 0 HA ALA A 83 9.492 1.708 3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.601 2.577 2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.218 2.862 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.875 4.198 2.615 1.00 0.00 H new ATOM 1239 N ARG A 84 11.094 2.095 5.598 1.00 0.00 N ATOM 1240 CA ARG A 84 11.761 2.248 6.886 1.00 0.00 C ATOM 1241 C ARG A 84 13.213 1.786 6.805 1.00 0.00 C ATOM 1242 O ARG A 84 13.531 0.828 6.101 1.00 0.00 O ATOM 1243 CB ARG A 84 11.021 1.454 7.964 1.00 0.00 C ATOM 1244 CG ARG A 84 11.778 1.363 9.279 1.00 0.00 C ATOM 1245 CD ARG A 84 11.253 0.229 10.146 1.00 0.00 C ATOM 1246 NE ARG A 84 11.768 -1.070 9.719 1.00 0.00 N ATOM 1247 CZ ARG A 84 11.745 -2.157 10.482 1.00 0.00 C ATOM 1248 NH1 ARG A 84 11.235 -2.102 11.704 1.00 0.00 N ATOM 1249 NH2 ARG A 84 12.232 -3.302 10.022 1.00 0.00 N ATOM 0 H ARG A 84 11.246 1.192 5.149 1.00 0.00 H new ATOM 0 HA ARG A 84 11.749 3.305 7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.051 1.918 8.144 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.829 0.447 7.594 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.839 1.209 9.080 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.688 2.306 9.818 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.533 0.407 11.184 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.164 0.218 10.108 1.00 0.00 H new ATOM 0 HE ARG A 84 12.167 -1.146 8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.859 -1.223 12.061 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.219 -2.938 12.288 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.625 -3.348 9.082 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.214 -4.136 10.609 1.00 0.00 H new ATOM 1263 N SER A 85 14.088 2.475 7.530 1.00 0.00 N ATOM 1264 CA SER A 85 15.507 2.138 7.536 1.00 0.00 C ATOM 1265 C SER A 85 16.006 1.918 8.961 1.00 0.00 C ATOM 1266 O SER A 85 15.232 1.971 9.916 1.00 0.00 O ATOM 1267 CB SER A 85 16.320 3.247 6.865 1.00 0.00 C ATOM 1268 OG SER A 85 17.514 2.734 6.300 1.00 0.00 O ATOM 0 H SER A 85 13.840 3.269 8.120 1.00 0.00 H new ATOM 0 HA SER A 85 15.638 1.212 6.976 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.721 3.722 6.088 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.562 4.018 7.596 1.00 0.00 H new ATOM 0 HG SER A 85 18.014 3.462 5.876 1.00 0.00 H new ATOM 1274 N GLU A 86 17.306 1.670 9.095 1.00 0.00 N ATOM 1275 CA GLU A 86 17.908 1.441 10.403 1.00 0.00 C ATOM 1276 C GLU A 86 17.651 2.621 11.335 1.00 0.00 C ATOM 1277 O GLU A 86 17.831 2.519 12.548 1.00 0.00 O ATOM 1278 CB GLU A 86 19.414 1.208 10.262 1.00 0.00 C ATOM 1279 CG GLU A 86 19.780 -0.232 9.941 1.00 0.00 C ATOM 1280 CD GLU A 86 21.256 -0.517 10.140 1.00 0.00 C ATOM 1281 OE1 GLU A 86 21.793 -0.144 11.205 1.00 0.00 O ATOM 1282 OE2 GLU A 86 21.873 -1.111 9.233 1.00 0.00 O ATOM 0 H GLU A 86 17.961 1.623 8.315 1.00 0.00 H new ATOM 0 HA GLU A 86 17.448 0.552 10.835 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.801 1.856 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.907 1.501 11.189 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.196 -0.901 10.573 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.508 -0.451 8.909 1.00 0.00 H new ATOM 1289 N ALA A 87 17.228 3.742 10.759 1.00 0.00 N ATOM 1290 CA ALA A 87 16.944 4.941 11.537 1.00 0.00 C ATOM 1291 C ALA A 87 15.538 4.894 12.125 1.00 0.00 C ATOM 1292 O ALA A 87 15.362 4.940 13.342 1.00 0.00 O ATOM 1293 CB ALA A 87 17.116 6.183 10.674 1.00 0.00 C ATOM 0 H ALA A 87 17.075 3.844 9.756 1.00 0.00 H new ATOM 0 HA ALA A 87 17.654 4.985 12.363 1.00 0.00 H new ATOM 0 HB1 ALA A 87 16.901 7.071 11.268 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.141 6.232 10.307 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.430 6.137 9.829 1.00 0.00 H new ATOM 1299 N GLY A 88 14.539 4.802 11.252 1.00 0.00 N ATOM 1300 CA GLY A 88 13.161 4.750 11.705 1.00 0.00 C ATOM 1301 C GLY A 88 12.171 4.827 10.560 1.00 0.00 C ATOM 1302 O GLY A 88 12.524 5.231 9.451 1.00 0.00 O ATOM 0 H GLY A 88 14.659 4.763 10.240 1.00 0.00 H new ATOM 0 HA2 GLY A 88 12.999 3.826 12.260 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.978 5.573 12.396 1.00 0.00 H new ATOM 1306 N TYR A 89 10.929 4.438 10.826 1.00 0.00 N ATOM 1307 CA TYR A 89 9.886 4.461 9.807 1.00 0.00 C ATOM 1308 C TYR A 89 9.828 5.820 9.118 1.00 0.00 C ATOM 1309 O TYR A 89 9.864 6.862 9.770 1.00 0.00 O ATOM 1310 CB TYR A 89 8.528 4.134 10.431 1.00 0.00 C ATOM 1311 CG TYR A 89 8.208 2.656 10.443 1.00 0.00 C ATOM 1312 CD1 TYR A 89 7.740 2.017 9.302 1.00 0.00 C ATOM 1313 CD2 TYR A 89 8.375 1.899 11.596 1.00 0.00 C ATOM 1314 CE1 TYR A 89 7.445 0.667 9.309 1.00 0.00 C ATOM 1315 CE2 TYR A 89 8.084 0.548 11.612 1.00 0.00 C ATOM 1316 CZ TYR A 89 7.619 -0.063 10.466 1.00 0.00 C ATOM 1317 OH TYR A 89 7.328 -1.408 10.477 1.00 0.00 O ATOM 0 H TYR A 89 10.620 4.103 11.738 1.00 0.00 H new ATOM 0 HA TYR A 89 10.126 3.705 9.059 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.507 4.510 11.454 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.748 4.662 9.882 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.604 2.585 8.394 1.00 0.00 H new ATOM 0 HD2 TYR A 89 8.738 2.374 12.495 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.080 0.186 8.413 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.220 -0.026 12.517 1.00 0.00 H new ATOM 0 HH TYR A 89 7.506 -1.774 11.368 1.00 0.00 H new ATOM 1327 N GLY A 90 9.736 5.800 7.791 1.00 0.00 N ATOM 1328 CA GLY A 90 9.673 7.037 7.033 1.00 0.00 C ATOM 1329 C GLY A 90 8.250 7.518 6.826 1.00 0.00 C ATOM 1330 O GLY A 90 7.285 6.838 7.176 1.00 0.00 O ATOM 0 H GLY A 90 9.704 4.950 7.228 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.242 7.808 7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.148 6.890 6.063 1.00 0.00 H new ATOM 1334 N PRO A 91 8.106 8.718 6.245 1.00 0.00 N ATOM 1335 CA PRO A 91 6.795 9.317 5.980 1.00 0.00 C ATOM 1336 C PRO A 91 6.035 8.584 4.879 1.00 0.00 C ATOM 1337 O PRO A 91 6.596 8.264 3.832 1.00 0.00 O ATOM 1338 CB PRO A 91 7.139 10.741 5.536 1.00 0.00 C ATOM 1339 CG PRO A 91 8.522 10.645 4.992 1.00 0.00 C ATOM 1340 CD PRO A 91 9.213 9.583 5.803 1.00 0.00 C ATOM 0 HA PRO A 91 6.143 9.274 6.852 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.440 11.099 4.780 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.090 11.439 6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.508 10.381 3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 91 9.041 11.600 5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.940 9.032 5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.752 10.010 6.649 1.00 0.00 H new ATOM 1348 N PHE A 92 4.755 8.323 5.124 1.00 0.00 N ATOM 1349 CA PHE A 92 3.919 7.627 4.153 1.00 0.00 C ATOM 1350 C PHE A 92 3.959 8.329 2.798 1.00 0.00 C ATOM 1351 O PHE A 92 3.837 9.550 2.716 1.00 0.00 O ATOM 1352 CB PHE A 92 2.476 7.547 4.656 1.00 0.00 C ATOM 1353 CG PHE A 92 2.202 6.336 5.502 1.00 0.00 C ATOM 1354 CD1 PHE A 92 2.050 5.088 4.920 1.00 0.00 C ATOM 1355 CD2 PHE A 92 2.097 6.447 6.879 1.00 0.00 C ATOM 1356 CE1 PHE A 92 1.799 3.972 5.695 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.846 5.334 7.659 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.695 4.096 7.067 1.00 0.00 C ATOM 0 H PHE A 92 4.275 8.583 5.986 1.00 0.00 H new ATOM 0 HA PHE A 92 4.311 6.617 4.031 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.251 8.443 5.235 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.801 7.543 3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.129 4.986 3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.212 7.413 7.348 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.684 3.004 5.229 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.768 5.433 8.732 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.496 3.226 7.675 1.00 0.00 H new ATOM 1368 N GLY A 93 4.131 7.546 1.738 1.00 0.00 N ATOM 1369 CA GLY A 93 4.185 8.109 0.401 1.00 0.00 C ATOM 1370 C GLY A 93 2.917 8.854 0.034 1.00 0.00 C ATOM 1371 O GLY A 93 2.056 9.081 0.884 1.00 0.00 O ATOM 0 H GLY A 93 4.234 6.532 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.035 8.788 0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.355 7.309 -0.320 1.00 0.00 H new ATOM 1375 N GLN A 94 2.803 9.237 -1.234 1.00 0.00 N ATOM 1376 CA GLN A 94 1.632 9.963 -1.709 1.00 0.00 C ATOM 1377 C GLN A 94 0.442 9.024 -1.882 1.00 0.00 C ATOM 1378 O GLN A 94 0.527 8.025 -2.594 1.00 0.00 O ATOM 1379 CB GLN A 94 1.942 10.661 -3.035 1.00 0.00 C ATOM 1380 CG GLN A 94 0.992 11.803 -3.358 1.00 0.00 C ATOM 1381 CD GLN A 94 1.371 12.536 -4.630 1.00 0.00 C ATOM 1382 OE1 GLN A 94 2.281 13.365 -4.634 1.00 0.00 O ATOM 1383 NE2 GLN A 94 0.674 12.232 -5.718 1.00 0.00 N ATOM 0 H GLN A 94 3.507 9.057 -1.950 1.00 0.00 H new ATOM 0 HA GLN A 94 1.374 10.714 -0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.962 11.045 -3.004 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.902 9.927 -3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.020 11.411 -3.457 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.981 12.508 -2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.072 11.538 -5.668 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.885 12.692 -6.604 1.00 0.00 H new ATOM 1392 N GLU A 95 -0.666 9.354 -1.225 1.00 0.00 N ATOM 1393 CA GLU A 95 -1.872 8.538 -1.306 1.00 0.00 C ATOM 1394 C GLU A 95 -2.233 8.243 -2.759 1.00 0.00 C ATOM 1395 O GLU A 95 -2.273 9.146 -3.596 1.00 0.00 O ATOM 1396 CB GLU A 95 -3.039 9.244 -0.612 1.00 0.00 C ATOM 1397 CG GLU A 95 -3.338 10.623 -1.176 1.00 0.00 C ATOM 1398 CD GLU A 95 -4.696 11.145 -0.749 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -4.981 11.134 0.467 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -5.473 11.566 -1.631 1.00 0.00 O ATOM 0 H GLU A 95 -0.753 10.179 -0.632 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.675 7.593 -0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.931 8.624 -0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.817 9.336 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.566 11.320 -0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.294 10.584 -2.264 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.495 6.973 -3.051 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.852 6.558 -4.403 1.00 0.00 C ATOM 1409 C HIS A 96 -4.332 6.196 -4.487 1.00 0.00 C ATOM 1410 O HIS A 96 -4.955 5.853 -3.481 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.998 5.366 -4.836 1.00 0.00 C ATOM 1412 CG HIS A 96 -2.450 4.741 -6.120 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -2.445 5.411 -7.326 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -2.920 3.500 -6.383 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -2.895 4.608 -8.274 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -3.189 3.442 -7.729 1.00 0.00 N ATOM 0 H HIS A 96 -2.467 6.214 -2.370 1.00 0.00 H new ATOM 0 HA HIS A 96 -2.662 7.395 -5.075 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.963 5.691 -4.944 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.015 4.612 -4.049 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -3.058 2.703 -5.668 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -3.004 4.862 -9.318 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -3.556 2.630 -8.226 1.00 0.00 H new ATOM 1425 N HIS A 97 -4.889 6.275 -5.691 1.00 0.00 N ATOM 1426 CA HIS A 97 -6.296 5.956 -5.905 1.00 0.00 C ATOM 1427 C HIS A 97 -6.444 4.698 -6.755 1.00 0.00 C ATOM 1428 O HIS A 97 -6.296 4.741 -7.976 1.00 0.00 O ATOM 1429 CB HIS A 97 -7.010 7.128 -6.579 1.00 0.00 C ATOM 1430 CG HIS A 97 -6.957 8.398 -5.787 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -5.981 9.356 -5.965 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -7.767 8.865 -4.809 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -6.192 10.357 -5.130 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -7.270 10.084 -4.417 1.00 0.00 N ATOM 0 H HIS A 97 -4.388 6.557 -6.533 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.754 5.773 -4.933 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -6.562 7.301 -7.558 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.052 6.859 -6.748 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -8.641 8.371 -4.411 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.586 11.247 -5.045 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -7.669 10.682 -3.693 1.00 0.00 H new ATOM 1443 N SER A 98 -6.736 3.578 -6.101 1.00 0.00 N ATOM 1444 CA SER A 98 -6.900 2.307 -6.796 1.00 0.00 C ATOM 1445 C SER A 98 -8.285 2.208 -7.429 1.00 0.00 C ATOM 1446 O SER A 98 -9.249 1.810 -6.777 1.00 0.00 O ATOM 1447 CB SER A 98 -6.684 1.141 -5.829 1.00 0.00 C ATOM 1448 OG SER A 98 -6.506 -0.077 -6.531 1.00 0.00 O ATOM 0 H SER A 98 -6.864 3.525 -5.090 1.00 0.00 H new ATOM 0 HA SER A 98 -6.153 2.256 -7.588 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.810 1.337 -5.207 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.540 1.057 -5.159 1.00 0.00 H new ATOM 0 HG SER A 98 -5.705 -0.532 -6.198 1.00 0.00 H new