USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 543 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 SER OG : rot 180:sc= 0.287 USER MOD Set 1.2: A 12 GLN : amide:sc= -0.382 K(o=-0.095,f=-4.4!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -1 MET N :NH3+ 171:sc= 0 (180deg=-0.0924) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.8!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.307 USER MOD Single : A 32 GLN :FLIP amide:sc=-0.00327 F(o=-0.53,f=-0.0033) USER MOD Single : A 33 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.065) USER MOD Single : A 35 SER OG : rot -105:sc= -1.44 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc=-0.00414 K(o=-0.0041,f=-0.52) USER MOD Single : A 44 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.27) USER MOD Single : A 46 LYS NZ :NH3+ -117:sc= -1.03 (180deg=-4.21!) USER MOD Single : A 50 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.1) USER MOD Single : A 51 ASN : amide:sc= -0.244 K(o=-0.24,f=-1.3!) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= 0.0376 (180deg=-0.399) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= 0.398 (180deg=0.385) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -39:sc= 0.785 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -1 5.140 -7.032 25.881 1.00 0.00 N ATOM 2 CA MET A -1 4.068 -7.809 26.565 1.00 0.00 C ATOM 3 C MET A -1 2.684 -7.265 26.218 1.00 0.00 C ATOM 4 O MET A -1 1.793 -7.215 27.066 1.00 0.00 O ATOM 5 CB MET A -1 4.300 -7.743 28.079 1.00 0.00 C ATOM 6 CG MET A -1 4.968 -8.984 28.645 1.00 0.00 C ATOM 7 SD MET A -1 5.474 -8.780 30.363 1.00 0.00 S ATOM 8 CE MET A -1 5.627 -10.489 30.877 1.00 0.00 C ATOM 0 H1 MET A -1 6.068 -7.322 26.250 1.00 0.00 H new ATOM 0 H2 MET A -1 5.102 -7.214 24.858 1.00 0.00 H new ATOM 0 H3 MET A -1 4.999 -6.017 26.057 1.00 0.00 H new ATOM 0 HA MET A -1 4.108 -8.844 26.226 1.00 0.00 H new ATOM 0 HB2 MET A -1 4.916 -6.873 28.306 1.00 0.00 H new ATOM 0 HB3 MET A -1 3.343 -7.595 28.579 1.00 0.00 H new ATOM 0 HG2 MET A -1 4.281 -9.827 28.571 1.00 0.00 H new ATOM 0 HG3 MET A -1 5.841 -9.230 28.040 1.00 0.00 H new ATOM 0 HE1 MET A -1 5.935 -10.529 31.922 1.00 0.00 H new ATOM 0 HE2 MET A -1 4.666 -10.991 30.763 1.00 0.00 H new ATOM 0 HE3 MET A -1 6.373 -10.989 30.260 1.00 0.00 H new ATOM 20 N ASP A 0 2.511 -6.861 24.964 1.00 0.00 N ATOM 21 CA ASP A 0 1.236 -6.323 24.504 1.00 0.00 C ATOM 22 C ASP A 0 0.801 -6.988 23.202 1.00 0.00 C ATOM 23 O ASP A 0 -0.194 -7.713 23.166 1.00 0.00 O ATOM 24 CB ASP A 0 1.339 -4.809 24.308 1.00 0.00 C ATOM 25 CG ASP A 0 0.861 -4.034 25.521 1.00 0.00 C ATOM 26 OD1 ASP A 0 1.140 -4.476 26.655 1.00 0.00 O ATOM 27 OD2 ASP A 0 0.206 -2.986 25.335 1.00 0.00 O ATOM 0 H ASP A 0 3.237 -6.896 24.249 1.00 0.00 H new ATOM 0 HA ASP A 0 0.485 -6.534 25.266 1.00 0.00 H new ATOM 0 HB2 ASP A 0 2.374 -4.543 24.095 1.00 0.00 H new ATOM 0 HB3 ASP A 0 0.750 -4.517 23.439 1.00 0.00 H new ATOM 32 N GLU A 1 1.551 -6.736 22.135 1.00 0.00 N ATOM 33 CA GLU A 1 1.243 -7.311 20.831 1.00 0.00 C ATOM 34 C GLU A 1 2.381 -8.205 20.347 1.00 0.00 C ATOM 35 O GLU A 1 3.479 -7.728 20.061 1.00 0.00 O ATOM 36 CB GLU A 1 0.979 -6.199 19.812 1.00 0.00 C ATOM 37 CG GLU A 1 -0.354 -6.337 19.094 1.00 0.00 C ATOM 38 CD GLU A 1 -0.663 -5.149 18.204 1.00 0.00 C ATOM 39 OE1 GLU A 1 -0.252 -5.167 17.025 1.00 0.00 O ATOM 40 OE2 GLU A 1 -1.316 -4.201 18.687 1.00 0.00 O ATOM 0 H GLU A 1 2.377 -6.137 22.147 1.00 0.00 H new ATOM 0 HA GLU A 1 0.346 -7.922 20.932 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.010 -5.236 20.321 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.781 -6.196 19.074 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -0.345 -7.245 18.491 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -1.149 -6.451 19.831 1.00 0.00 H new ATOM 47 N LYS A 2 2.109 -9.503 20.257 1.00 0.00 N ATOM 48 CA LYS A 2 3.110 -10.463 19.807 1.00 0.00 C ATOM 49 C LYS A 2 2.902 -10.819 18.337 1.00 0.00 C ATOM 50 O LYS A 2 3.265 -11.908 17.896 1.00 0.00 O ATOM 51 CB LYS A 2 3.054 -11.728 20.667 1.00 0.00 C ATOM 52 CG LYS A 2 4.400 -12.125 21.254 1.00 0.00 C ATOM 53 CD LYS A 2 4.957 -13.374 20.589 1.00 0.00 C ATOM 54 CE LYS A 2 4.167 -14.615 20.978 1.00 0.00 C ATOM 55 NZ LYS A 2 5.030 -15.638 21.632 1.00 0.00 N ATOM 0 H LYS A 2 1.205 -9.914 20.490 1.00 0.00 H new ATOM 0 HA LYS A 2 4.093 -10.004 19.913 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.344 -11.574 21.479 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.673 -12.552 20.063 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.106 -11.303 21.134 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.293 -12.300 22.325 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.934 -13.252 19.506 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.001 -13.503 20.873 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.360 -14.335 21.654 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.704 -15.044 20.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.456 -16.468 21.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.786 -15.924 20.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.452 -15.237 22.494 1.00 0.00 H new ATOM 69 N ARG A 3 2.316 -9.892 17.584 1.00 0.00 N ATOM 70 CA ARG A 3 2.063 -10.111 16.165 1.00 0.00 C ATOM 71 C ARG A 3 1.589 -8.823 15.493 1.00 0.00 C ATOM 72 O ARG A 3 0.434 -8.713 15.079 1.00 0.00 O ATOM 73 CB ARG A 3 1.021 -11.216 15.977 1.00 0.00 C ATOM 74 CG ARG A 3 1.296 -12.111 14.779 1.00 0.00 C ATOM 75 CD ARG A 3 2.263 -13.229 15.131 1.00 0.00 C ATOM 76 NE ARG A 3 2.505 -14.120 13.997 1.00 0.00 N ATOM 77 CZ ARG A 3 2.482 -15.450 14.071 1.00 0.00 C ATOM 78 NH1 ARG A 3 2.236 -16.061 15.224 1.00 0.00 N ATOM 79 NH2 ARG A 3 2.709 -16.175 12.984 1.00 0.00 N ATOM 0 H ARG A 3 2.008 -8.984 17.933 1.00 0.00 H new ATOM 0 HA ARG A 3 2.997 -10.421 15.696 1.00 0.00 H new ATOM 0 HB2 ARG A 3 0.986 -11.829 16.878 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.037 -10.761 15.863 1.00 0.00 H new ATOM 0 HG2 ARG A 3 0.360 -12.538 14.420 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.708 -11.515 13.965 1.00 0.00 H new ATOM 0 HD2 ARG A 3 3.208 -12.800 15.463 1.00 0.00 H new ATOM 0 HD3 ARG A 3 1.863 -13.805 15.966 1.00 0.00 H new ATOM 0 HE ARG A 3 2.704 -13.696 13.091 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.062 -15.511 16.065 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.221 -17.080 15.268 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.901 -15.714 12.094 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.692 -17.193 13.038 1.00 0.00 H new ATOM 93 N PRO A 4 2.484 -7.826 15.372 1.00 0.00 N ATOM 94 CA PRO A 4 2.154 -6.542 14.746 1.00 0.00 C ATOM 95 C PRO A 4 1.949 -6.671 13.240 1.00 0.00 C ATOM 96 O PRO A 4 2.871 -7.031 12.508 1.00 0.00 O ATOM 97 CB PRO A 4 3.378 -5.675 15.047 1.00 0.00 C ATOM 98 CG PRO A 4 4.494 -6.645 15.223 1.00 0.00 C ATOM 99 CD PRO A 4 3.883 -7.874 15.836 1.00 0.00 C ATOM 0 HA PRO A 4 1.220 -6.129 15.127 1.00 0.00 H new ATOM 0 HB2 PRO A 4 3.582 -4.981 14.232 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.228 -5.076 15.946 1.00 0.00 H new ATOM 0 HG2 PRO A 4 4.963 -6.878 14.267 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.271 -6.233 15.867 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.386 -8.782 15.503 1.00 0.00 H new ATOM 0 HD3 PRO A 4 3.947 -7.855 16.924 1.00 0.00 H new ATOM 107 N ARG A 5 0.737 -6.374 12.784 1.00 0.00 N ATOM 108 CA ARG A 5 0.413 -6.458 11.365 1.00 0.00 C ATOM 109 C ARG A 5 -1.019 -6.003 11.104 1.00 0.00 C ATOM 110 O ARG A 5 -1.879 -6.090 11.980 1.00 0.00 O ATOM 111 CB ARG A 5 0.606 -7.891 10.861 1.00 0.00 C ATOM 112 CG ARG A 5 1.401 -7.979 9.570 1.00 0.00 C ATOM 113 CD ARG A 5 1.744 -9.418 9.222 1.00 0.00 C ATOM 114 NE ARG A 5 2.581 -9.507 8.027 1.00 0.00 N ATOM 115 CZ ARG A 5 2.535 -10.516 7.158 1.00 0.00 C ATOM 116 NH1 ARG A 5 1.704 -11.535 7.349 1.00 0.00 N ATOM 117 NH2 ARG A 5 3.327 -10.507 6.094 1.00 0.00 N ATOM 0 H ARG A 5 -0.037 -6.073 13.376 1.00 0.00 H new ATOM 0 HA ARG A 5 1.088 -5.795 10.824 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.113 -8.473 11.631 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.372 -8.348 10.708 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.827 -7.534 8.757 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.319 -7.399 9.667 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.261 -9.881 10.062 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.825 -9.982 9.064 1.00 0.00 H new ATOM 0 HE ARG A 5 3.241 -8.750 7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.094 -11.549 8.166 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.676 -12.303 6.678 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.969 -9.729 5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.294 -11.278 5.427 1.00 0.00 H new ATOM 131 N THR A 6 -1.268 -5.517 9.892 1.00 0.00 N ATOM 132 CA THR A 6 -2.596 -5.049 9.512 1.00 0.00 C ATOM 133 C THR A 6 -3.343 -6.123 8.726 1.00 0.00 C ATOM 134 O THR A 6 -2.790 -6.732 7.811 1.00 0.00 O ATOM 135 CB THR A 6 -2.494 -3.764 8.683 1.00 0.00 C ATOM 136 OG1 THR A 6 -1.148 -3.501 8.327 1.00 0.00 O ATOM 137 CG2 THR A 6 -3.024 -2.544 9.404 1.00 0.00 C ATOM 0 H THR A 6 -0.567 -5.437 9.156 1.00 0.00 H new ATOM 0 HA THR A 6 -3.155 -4.836 10.423 1.00 0.00 H new ATOM 0 HB THR A 6 -3.108 -3.941 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.105 -2.678 7.797 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.922 -1.669 8.762 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.076 -2.694 9.649 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.457 -2.389 10.322 1.00 0.00 H new ATOM 145 N ALA A 7 -4.600 -6.350 9.091 1.00 0.00 N ATOM 146 CA ALA A 7 -5.419 -7.353 8.421 1.00 0.00 C ATOM 147 C ALA A 7 -6.368 -6.709 7.414 1.00 0.00 C ATOM 148 O ALA A 7 -7.429 -6.203 7.782 1.00 0.00 O ATOM 149 CB ALA A 7 -6.201 -8.164 9.444 1.00 0.00 C ATOM 0 H ALA A 7 -5.073 -5.854 9.846 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.754 -8.021 7.874 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.808 -8.909 8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.507 -8.664 10.119 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.849 -7.500 10.016 1.00 0.00 H new ATOM 155 N PHE A 8 -5.983 -6.737 6.142 1.00 0.00 N ATOM 156 CA PHE A 8 -6.802 -6.160 5.082 1.00 0.00 C ATOM 157 C PHE A 8 -7.830 -7.172 4.586 1.00 0.00 C ATOM 158 O PHE A 8 -7.944 -8.272 5.127 1.00 0.00 O ATOM 159 CB PHE A 8 -5.921 -5.703 3.917 1.00 0.00 C ATOM 160 CG PHE A 8 -4.875 -4.698 4.311 1.00 0.00 C ATOM 161 CD1 PHE A 8 -3.717 -5.101 4.956 1.00 0.00 C ATOM 162 CD2 PHE A 8 -5.050 -3.352 4.032 1.00 0.00 C ATOM 163 CE1 PHE A 8 -2.752 -4.179 5.317 1.00 0.00 C ATOM 164 CE2 PHE A 8 -4.089 -2.426 4.390 1.00 0.00 C ATOM 165 CZ PHE A 8 -2.938 -2.840 5.033 1.00 0.00 C ATOM 0 H PHE A 8 -5.109 -7.153 5.820 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.328 -5.297 5.490 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.431 -6.573 3.480 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.554 -5.271 3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.566 -6.147 5.179 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.947 -3.023 3.529 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.854 -4.505 5.820 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.237 -1.380 4.168 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.185 -2.118 5.313 1.00 0.00 H new ATOM 175 N SER A 9 -8.577 -6.795 3.553 1.00 0.00 N ATOM 176 CA SER A 9 -9.594 -7.674 2.985 1.00 0.00 C ATOM 177 C SER A 9 -9.280 -7.997 1.529 1.00 0.00 C ATOM 178 O SER A 9 -8.553 -7.261 0.862 1.00 0.00 O ATOM 179 CB SER A 9 -10.974 -7.025 3.083 1.00 0.00 C ATOM 180 OG SER A 9 -11.170 -6.094 2.034 1.00 0.00 O ATOM 0 H SER A 9 -8.498 -5.888 3.093 1.00 0.00 H new ATOM 0 HA SER A 9 -9.594 -8.602 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.746 -7.794 3.041 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.076 -6.522 4.045 1.00 0.00 H new ATOM 0 HG SER A 9 -12.060 -5.692 2.116 1.00 0.00 H new ATOM 186 N SER A 10 -9.836 -9.102 1.039 1.00 0.00 N ATOM 187 CA SER A 10 -9.619 -9.522 -0.341 1.00 0.00 C ATOM 188 C SER A 10 -9.957 -8.396 -1.315 1.00 0.00 C ATOM 189 O SER A 10 -9.256 -8.186 -2.306 1.00 0.00 O ATOM 190 CB SER A 10 -10.464 -10.757 -0.658 1.00 0.00 C ATOM 191 OG SER A 10 -10.479 -11.022 -2.050 1.00 0.00 O ATOM 0 H SER A 10 -10.440 -9.722 1.578 1.00 0.00 H new ATOM 0 HA SER A 10 -8.564 -9.771 -0.456 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.066 -11.620 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.483 -10.605 -0.303 1.00 0.00 H new ATOM 0 HG SER A 10 -11.025 -11.817 -2.226 1.00 0.00 H new ATOM 197 N GLU A 11 -11.035 -7.675 -1.025 1.00 0.00 N ATOM 198 CA GLU A 11 -11.468 -6.568 -1.872 1.00 0.00 C ATOM 199 C GLU A 11 -10.463 -5.422 -1.827 1.00 0.00 C ATOM 200 O GLU A 11 -10.143 -4.822 -2.854 1.00 0.00 O ATOM 201 CB GLU A 11 -12.849 -6.074 -1.434 1.00 0.00 C ATOM 202 CG GLU A 11 -13.883 -6.088 -2.548 1.00 0.00 C ATOM 203 CD GLU A 11 -14.713 -7.357 -2.555 1.00 0.00 C ATOM 204 OE1 GLU A 11 -15.608 -7.488 -1.692 1.00 0.00 O ATOM 205 OE2 GLU A 11 -14.471 -8.220 -3.425 1.00 0.00 O ATOM 0 H GLU A 11 -11.626 -7.837 -0.209 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.529 -6.930 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.204 -6.696 -0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.757 -5.059 -1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.542 -5.227 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.379 -5.982 -3.509 1.00 0.00 H new ATOM 212 N GLN A 12 -9.967 -5.122 -0.630 1.00 0.00 N ATOM 213 CA GLN A 12 -8.997 -4.045 -0.455 1.00 0.00 C ATOM 214 C GLN A 12 -7.676 -4.391 -1.134 1.00 0.00 C ATOM 215 O GLN A 12 -7.057 -3.542 -1.776 1.00 0.00 O ATOM 216 CB GLN A 12 -8.761 -3.775 1.033 1.00 0.00 C ATOM 217 CG GLN A 12 -9.958 -3.161 1.740 1.00 0.00 C ATOM 218 CD GLN A 12 -9.970 -3.456 3.227 1.00 0.00 C ATOM 219 OE1 GLN A 12 -8.995 -3.969 3.777 1.00 0.00 O ATOM 220 NE2 GLN A 12 -11.077 -3.136 3.886 1.00 0.00 N ATOM 0 H GLN A 12 -10.220 -5.608 0.231 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.403 -3.146 -0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.500 -4.711 1.526 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.905 -3.109 1.141 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.951 -2.082 1.587 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.875 -3.541 1.290 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.861 -2.712 3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.143 -3.314 4.888 1.00 0.00 H new ATOM 229 N LEU A 13 -7.252 -5.641 -0.990 1.00 0.00 N ATOM 230 CA LEU A 13 -6.005 -6.098 -1.593 1.00 0.00 C ATOM 231 C LEU A 13 -6.093 -6.053 -3.114 1.00 0.00 C ATOM 232 O LEU A 13 -5.156 -5.625 -3.786 1.00 0.00 O ATOM 233 CB LEU A 13 -5.678 -7.524 -1.131 1.00 0.00 C ATOM 234 CG LEU A 13 -4.919 -7.658 0.203 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.732 -8.596 0.043 1.00 0.00 C ATOM 236 CD2 LEU A 13 -4.453 -6.305 0.728 1.00 0.00 C ATOM 0 H LEU A 13 -7.752 -6.356 -0.462 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.207 -5.429 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.613 -8.079 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.088 -8.008 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.611 -8.076 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.205 -8.681 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.085 -9.580 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.054 -8.200 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.922 -6.443 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.786 -5.842 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.317 -5.660 0.890 1.00 0.00 H new ATOM 248 N ALA A 14 -7.227 -6.492 -3.651 1.00 0.00 N ATOM 249 CA ALA A 14 -7.434 -6.496 -5.093 1.00 0.00 C ATOM 250 C ALA A 14 -7.365 -5.080 -5.648 1.00 0.00 C ATOM 251 O ALA A 14 -6.700 -4.825 -6.653 1.00 0.00 O ATOM 252 CB ALA A 14 -8.769 -7.138 -5.435 1.00 0.00 C ATOM 0 H ALA A 14 -8.015 -6.849 -3.110 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.640 -7.083 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.909 -7.133 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.782 -8.166 -5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.575 -6.576 -4.963 1.00 0.00 H new ATOM 258 N ARG A 15 -8.051 -4.159 -4.980 1.00 0.00 N ATOM 259 CA ARG A 15 -8.063 -2.764 -5.400 1.00 0.00 C ATOM 260 C ARG A 15 -6.677 -2.148 -5.243 1.00 0.00 C ATOM 261 O ARG A 15 -6.206 -1.420 -6.116 1.00 0.00 O ATOM 262 CB ARG A 15 -9.082 -1.970 -4.580 1.00 0.00 C ATOM 263 CG ARG A 15 -10.501 -2.066 -5.116 1.00 0.00 C ATOM 264 CD ARG A 15 -11.527 -1.872 -4.011 1.00 0.00 C ATOM 265 NE ARG A 15 -12.792 -2.537 -4.317 1.00 0.00 N ATOM 266 CZ ARG A 15 -13.756 -2.740 -3.422 1.00 0.00 C ATOM 267 NH1 ARG A 15 -13.605 -2.333 -2.168 1.00 0.00 N ATOM 268 NH2 ARG A 15 -14.877 -3.351 -3.783 1.00 0.00 N ATOM 0 H ARG A 15 -8.605 -4.354 -4.146 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.348 -2.725 -6.451 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.066 -2.328 -3.551 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.781 -0.923 -4.557 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.651 -1.313 -5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.649 -3.039 -5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.129 -2.262 -3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.704 -0.807 -3.863 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.945 -2.864 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.746 -1.861 -1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.348 -2.492 -1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.000 -3.665 -4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.616 -3.507 -3.098 1.00 0.00 H new ATOM 282 N LEU A 16 -6.028 -2.453 -4.124 1.00 0.00 N ATOM 283 CA LEU A 16 -4.694 -1.936 -3.847 1.00 0.00 C ATOM 284 C LEU A 16 -3.695 -2.441 -4.883 1.00 0.00 C ATOM 285 O LEU A 16 -2.860 -1.683 -5.375 1.00 0.00 O ATOM 286 CB LEU A 16 -4.247 -2.347 -2.442 1.00 0.00 C ATOM 287 CG LEU A 16 -4.559 -1.332 -1.341 1.00 0.00 C ATOM 288 CD1 LEU A 16 -4.456 -1.986 0.029 1.00 0.00 C ATOM 289 CD2 LEU A 16 -3.625 -0.135 -1.438 1.00 0.00 C ATOM 0 H LEU A 16 -6.406 -3.057 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.730 -0.848 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.724 -3.294 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.172 -2.525 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.581 -0.978 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.681 -1.250 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.168 -2.809 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.446 -2.368 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.862 0.576 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.593 -0.469 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.750 0.346 -2.408 1.00 0.00 H new ATOM 301 N LYS A 17 -3.790 -3.725 -5.214 1.00 0.00 N ATOM 302 CA LYS A 17 -2.896 -4.328 -6.195 1.00 0.00 C ATOM 303 C LYS A 17 -3.085 -3.681 -7.563 1.00 0.00 C ATOM 304 O LYS A 17 -2.116 -3.410 -8.273 1.00 0.00 O ATOM 305 CB LYS A 17 -3.143 -5.836 -6.288 1.00 0.00 C ATOM 306 CG LYS A 17 -1.871 -6.665 -6.231 1.00 0.00 C ATOM 307 CD LYS A 17 -2.104 -8.080 -6.735 1.00 0.00 C ATOM 308 CE LYS A 17 -2.317 -9.054 -5.587 1.00 0.00 C ATOM 309 NZ LYS A 17 -1.592 -10.336 -5.805 1.00 0.00 N ATOM 0 H LYS A 17 -4.476 -4.367 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.869 -4.160 -5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.801 -6.139 -5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.667 -6.053 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.097 -6.187 -6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.504 -6.699 -5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.974 -8.095 -7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.249 -8.400 -7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.977 -8.599 -4.657 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.382 -9.254 -5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.763 -10.973 -5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.934 -10.784 -6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.572 -10.148 -5.888 1.00 0.00 H new ATOM 323 N ARG A 18 -4.340 -3.432 -7.926 1.00 0.00 N ATOM 324 CA ARG A 18 -4.655 -2.811 -9.207 1.00 0.00 C ATOM 325 C ARG A 18 -4.027 -1.425 -9.300 1.00 0.00 C ATOM 326 O ARG A 18 -3.443 -1.064 -10.321 1.00 0.00 O ATOM 327 CB ARG A 18 -6.171 -2.714 -9.393 1.00 0.00 C ATOM 328 CG ARG A 18 -6.747 -3.807 -10.278 1.00 0.00 C ATOM 329 CD ARG A 18 -8.263 -3.722 -10.350 1.00 0.00 C ATOM 330 NE ARG A 18 -8.876 -5.029 -10.569 1.00 0.00 N ATOM 331 CZ ARG A 18 -9.028 -5.588 -11.768 1.00 0.00 C ATOM 332 NH1 ARG A 18 -8.606 -4.963 -12.860 1.00 0.00 N ATOM 333 NH2 ARG A 18 -9.602 -6.778 -11.876 1.00 0.00 N ATOM 0 H ARG A 18 -5.154 -3.651 -7.351 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.242 -3.434 -10.000 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.652 -2.758 -8.416 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.414 -1.743 -9.824 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.328 -3.723 -11.281 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.454 -4.783 -9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.646 -3.293 -9.424 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.550 -3.048 -11.157 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.208 -5.545 -9.754 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.162 -4.048 -12.784 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.726 -5.398 -13.775 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.927 -7.265 -11.041 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.719 -7.207 -12.794 1.00 0.00 H new ATOM 347 N GLU A 19 -4.148 -0.655 -8.223 1.00 0.00 N ATOM 348 CA GLU A 19 -3.588 0.690 -8.179 1.00 0.00 C ATOM 349 C GLU A 19 -2.065 0.641 -8.239 1.00 0.00 C ATOM 350 O GLU A 19 -1.430 1.475 -8.885 1.00 0.00 O ATOM 351 CB GLU A 19 -4.038 1.411 -6.906 1.00 0.00 C ATOM 352 CG GLU A 19 -3.821 2.915 -6.947 1.00 0.00 C ATOM 353 CD GLU A 19 -5.084 3.678 -7.294 1.00 0.00 C ATOM 354 OE1 GLU A 19 -6.098 3.500 -6.587 1.00 0.00 O ATOM 355 OE2 GLU A 19 -5.060 4.452 -8.274 1.00 0.00 O ATOM 0 H GLU A 19 -4.629 -0.940 -7.370 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.953 1.241 -9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.096 1.210 -6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.497 0.998 -6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.453 3.252 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.048 3.147 -7.680 1.00 0.00 H new ATOM 362 N PHE A 20 -1.487 -0.346 -7.562 1.00 0.00 N ATOM 363 CA PHE A 20 -0.039 -0.514 -7.535 1.00 0.00 C ATOM 364 C PHE A 20 0.496 -0.850 -8.924 1.00 0.00 C ATOM 365 O PHE A 20 1.581 -0.412 -9.304 1.00 0.00 O ATOM 366 CB PHE A 20 0.343 -1.618 -6.547 1.00 0.00 C ATOM 367 CG PHE A 20 1.823 -1.849 -6.437 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.458 -2.762 -7.264 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.580 -1.154 -5.506 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.819 -2.980 -7.164 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.941 -1.367 -5.402 1.00 0.00 C ATOM 372 CZ PHE A 20 4.562 -2.280 -6.232 1.00 0.00 C ATOM 0 H PHE A 20 -2.001 -1.043 -7.023 1.00 0.00 H new ATOM 0 HA PHE A 20 0.408 0.426 -7.213 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.049 -1.363 -5.563 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.139 -2.547 -6.851 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.882 -3.310 -7.995 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.100 -0.438 -4.855 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.301 -3.696 -7.813 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.519 -0.820 -4.672 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.626 -2.447 -6.153 1.00 0.00 H new ATOM 382 N ASN A 21 -0.273 -1.632 -9.675 1.00 0.00 N ATOM 383 CA ASN A 21 0.123 -2.028 -11.022 1.00 0.00 C ATOM 384 C ASN A 21 0.149 -0.826 -11.961 1.00 0.00 C ATOM 385 O ASN A 21 0.919 -0.792 -12.920 1.00 0.00 O ATOM 386 CB ASN A 21 -0.830 -3.096 -11.562 1.00 0.00 C ATOM 387 CG ASN A 21 -0.098 -4.222 -12.265 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.084 -5.303 -11.706 1.00 0.00 O ATOM 389 ND2 ASN A 21 0.328 -3.972 -13.498 1.00 0.00 N ATOM 0 H ASN A 21 -1.174 -2.004 -9.374 1.00 0.00 H new ATOM 0 HA ASN A 21 1.130 -2.443 -10.970 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.416 -3.505 -10.739 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.533 -2.635 -12.256 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.828 -4.691 -14.020 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.155 -3.061 -13.922 1.00 0.00 H new ATOM 396 N GLU A 22 -0.696 0.161 -11.678 1.00 0.00 N ATOM 397 CA GLU A 22 -0.766 1.365 -12.497 1.00 0.00 C ATOM 398 C GLU A 22 0.318 2.356 -12.090 1.00 0.00 C ATOM 399 O GLU A 22 0.877 3.063 -12.927 1.00 0.00 O ATOM 400 CB GLU A 22 -2.144 2.017 -12.366 1.00 0.00 C ATOM 401 CG GLU A 22 -3.244 1.271 -13.104 1.00 0.00 C ATOM 402 CD GLU A 22 -4.543 1.228 -12.324 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.873 2.234 -11.662 1.00 0.00 O ATOM 404 OE2 GLU A 22 -5.233 0.187 -12.375 1.00 0.00 O ATOM 0 H GLU A 22 -1.341 0.150 -10.888 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.605 1.080 -13.537 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.407 2.083 -11.310 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.091 3.037 -12.745 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.419 1.749 -14.068 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.913 0.253 -13.309 1.00 0.00 H new ATOM 411 N ASN A 23 0.610 2.397 -10.794 1.00 0.00 N ATOM 412 CA ASN A 23 1.628 3.294 -10.262 1.00 0.00 C ATOM 413 C ASN A 23 2.084 2.828 -8.883 1.00 0.00 C ATOM 414 O ASN A 23 1.329 2.900 -7.915 1.00 0.00 O ATOM 415 CB ASN A 23 1.087 4.724 -10.180 1.00 0.00 C ATOM 416 CG ASN A 23 2.092 5.752 -10.657 1.00 0.00 C ATOM 417 OD1 ASN A 23 3.272 5.448 -10.835 1.00 0.00 O ATOM 418 ND2 ASN A 23 1.630 6.978 -10.866 1.00 0.00 N ATOM 0 H ASN A 23 0.153 1.816 -10.091 1.00 0.00 H new ATOM 0 HA ASN A 23 2.484 3.279 -10.936 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.180 4.801 -10.780 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.807 4.945 -9.150 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.260 7.713 -11.187 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.644 7.186 -10.706 1.00 0.00 H new ATOM 425 N ARG A 24 3.319 2.345 -8.804 1.00 0.00 N ATOM 426 CA ARG A 24 3.877 1.856 -7.544 1.00 0.00 C ATOM 427 C ARG A 24 4.210 3.001 -6.585 1.00 0.00 C ATOM 428 O ARG A 24 4.646 2.765 -5.458 1.00 0.00 O ATOM 429 CB ARG A 24 5.130 1.023 -7.814 1.00 0.00 C ATOM 430 CG ARG A 24 4.919 -0.067 -8.851 1.00 0.00 C ATOM 431 CD ARG A 24 6.228 -0.462 -9.514 1.00 0.00 C ATOM 432 NE ARG A 24 6.601 0.463 -10.581 1.00 0.00 N ATOM 433 CZ ARG A 24 7.858 0.751 -10.912 1.00 0.00 C ATOM 434 NH1 ARG A 24 8.872 0.178 -10.275 1.00 0.00 N ATOM 435 NH2 ARG A 24 8.102 1.613 -11.889 1.00 0.00 N ATOM 0 H ARG A 24 3.956 2.281 -9.598 1.00 0.00 H new ATOM 0 HA ARG A 24 3.119 1.234 -7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.930 1.683 -8.149 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.462 0.567 -6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.471 -0.941 -8.377 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.216 0.280 -9.608 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.020 -0.490 -8.765 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.139 -1.469 -9.922 1.00 0.00 H new ATOM 0 HE ARG A 24 5.852 0.916 -11.105 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.691 -0.489 -9.525 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.832 0.405 -10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.328 2.054 -12.385 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.064 1.835 -12.144 1.00 0.00 H new ATOM 449 N TYR A 25 3.999 4.237 -7.027 1.00 0.00 N ATOM 450 CA TYR A 25 4.270 5.404 -6.200 1.00 0.00 C ATOM 451 C TYR A 25 2.969 6.117 -5.860 1.00 0.00 C ATOM 452 O TYR A 25 2.206 6.490 -6.750 1.00 0.00 O ATOM 453 CB TYR A 25 5.223 6.361 -6.919 1.00 0.00 C ATOM 454 CG TYR A 25 6.488 5.696 -7.416 1.00 0.00 C ATOM 455 CD1 TYR A 25 7.603 5.582 -6.596 1.00 0.00 C ATOM 456 CD2 TYR A 25 6.564 5.181 -8.704 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.760 4.974 -7.047 1.00 0.00 C ATOM 458 CE2 TYR A 25 7.716 4.571 -9.161 1.00 0.00 C ATOM 459 CZ TYR A 25 8.811 4.470 -8.329 1.00 0.00 C ATOM 460 OH TYR A 25 9.961 3.864 -8.781 1.00 0.00 O ATOM 0 H TYR A 25 3.640 4.455 -7.957 1.00 0.00 H new ATOM 0 HA TYR A 25 4.744 5.073 -5.276 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.703 6.811 -7.764 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.491 7.171 -6.241 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.566 5.974 -5.590 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.709 5.259 -9.359 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.620 4.894 -6.398 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.759 4.175 -10.165 1.00 0.00 H new ATOM 0 HH TYR A 25 9.831 3.563 -9.704 1.00 0.00 H new ATOM 470 N LEU A 26 2.711 6.291 -4.571 1.00 0.00 N ATOM 471 CA LEU A 26 1.490 6.945 -4.128 1.00 0.00 C ATOM 472 C LEU A 26 1.678 8.449 -3.990 1.00 0.00 C ATOM 473 O LEU A 26 2.746 8.990 -4.278 1.00 0.00 O ATOM 474 CB LEU A 26 1.027 6.366 -2.789 1.00 0.00 C ATOM 475 CG LEU A 26 0.101 5.150 -2.875 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.454 4.823 -1.497 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.041 5.392 -3.852 1.00 0.00 C ATOM 0 H LEU A 26 3.329 5.989 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 26 0.730 6.761 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.908 6.088 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.515 7.151 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 26 0.685 4.305 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.112 3.957 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.368 4.601 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.017 5.677 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.680 4.510 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.626 6.250 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.635 5.589 -4.844 1.00 0.00 H new ATOM 489 N THR A 27 0.621 9.110 -3.542 1.00 0.00 N ATOM 490 CA THR A 27 0.625 10.551 -3.346 1.00 0.00 C ATOM 491 C THR A 27 -0.341 10.916 -2.230 1.00 0.00 C ATOM 492 O THR A 27 -1.104 10.071 -1.768 1.00 0.00 O ATOM 493 CB THR A 27 0.213 11.260 -4.636 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.176 11.088 -4.874 1.00 0.00 O ATOM 495 CG2 THR A 27 0.958 10.761 -5.855 1.00 0.00 C ATOM 0 H THR A 27 -0.264 8.662 -3.304 1.00 0.00 H new ATOM 0 HA THR A 27 1.632 10.869 -3.075 1.00 0.00 H new ATOM 0 HB THR A 27 0.462 12.311 -4.488 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.426 11.549 -5.702 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.619 11.305 -6.737 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.027 10.922 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.765 9.697 -5.989 1.00 0.00 H new ATOM 503 N GLU A 28 -0.322 12.171 -1.803 1.00 0.00 N ATOM 504 CA GLU A 28 -1.224 12.614 -0.748 1.00 0.00 C ATOM 505 C GLU A 28 -2.671 12.330 -1.139 1.00 0.00 C ATOM 506 O GLU A 28 -3.429 11.732 -0.376 1.00 0.00 O ATOM 507 CB GLU A 28 -1.035 14.107 -0.472 1.00 0.00 C ATOM 508 CG GLU A 28 0.406 14.495 -0.179 1.00 0.00 C ATOM 509 CD GLU A 28 0.958 15.490 -1.180 1.00 0.00 C ATOM 510 OE1 GLU A 28 0.709 15.315 -2.391 1.00 0.00 O ATOM 511 OE2 GLU A 28 1.642 16.444 -0.753 1.00 0.00 O ATOM 0 H GLU A 28 0.300 12.893 -2.165 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.990 12.062 0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.387 14.674 -1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.659 14.393 0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.467 14.921 0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.027 13.599 -0.183 1.00 0.00 H new ATOM 518 N ARG A 29 -3.037 12.761 -2.341 1.00 0.00 N ATOM 519 CA ARG A 29 -4.386 12.558 -2.856 1.00 0.00 C ATOM 520 C ARG A 29 -4.735 11.073 -2.943 1.00 0.00 C ATOM 521 O ARG A 29 -5.824 10.660 -2.546 1.00 0.00 O ATOM 522 CB ARG A 29 -4.527 13.205 -4.234 1.00 0.00 C ATOM 523 CG ARG A 29 -4.431 14.722 -4.206 1.00 0.00 C ATOM 524 CD ARG A 29 -5.612 15.371 -4.912 1.00 0.00 C ATOM 525 NE ARG A 29 -5.410 16.804 -5.112 1.00 0.00 N ATOM 526 CZ ARG A 29 -5.607 17.720 -4.167 1.00 0.00 C ATOM 527 NH1 ARG A 29 -6.009 17.358 -2.956 1.00 0.00 N ATOM 528 NH2 ARG A 29 -5.401 19.002 -4.435 1.00 0.00 N ATOM 0 H ARG A 29 -2.415 13.256 -2.980 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.081 13.029 -2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.752 12.812 -4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.486 12.918 -4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.391 15.066 -3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.503 15.037 -4.683 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.767 14.889 -5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.517 15.211 -4.326 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.100 17.121 -6.030 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.169 16.373 -2.745 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.158 18.065 -2.236 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.092 19.285 -5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.552 19.705 -3.711 1.00 0.00 H new ATOM 542 N ARG A 30 -3.811 10.274 -3.475 1.00 0.00 N ATOM 543 CA ARG A 30 -4.038 8.839 -3.624 1.00 0.00 C ATOM 544 C ARG A 30 -4.125 8.149 -2.267 1.00 0.00 C ATOM 545 O ARG A 30 -4.916 7.224 -2.079 1.00 0.00 O ATOM 546 CB ARG A 30 -2.918 8.210 -4.454 1.00 0.00 C ATOM 547 CG ARG A 30 -3.040 8.483 -5.945 1.00 0.00 C ATOM 548 CD ARG A 30 -3.506 7.251 -6.706 1.00 0.00 C ATOM 549 NE ARG A 30 -2.513 6.804 -7.681 1.00 0.00 N ATOM 550 CZ ARG A 30 -2.727 6.745 -8.996 1.00 0.00 C ATOM 551 NH1 ARG A 30 -3.898 7.103 -9.510 1.00 0.00 N ATOM 552 NH2 ARG A 30 -1.760 6.328 -9.801 1.00 0.00 N ATOM 0 H ARG A 30 -2.902 10.595 -3.808 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.989 8.703 -4.138 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.959 8.588 -4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.916 7.133 -4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.743 9.300 -6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.076 8.809 -6.335 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.711 6.445 -6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.443 7.473 -7.218 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.597 6.519 -7.333 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.646 7.428 -8.897 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.049 7.053 -10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.857 6.054 -9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.919 6.281 -10.807 1.00 0.00 H new ATOM 566 N ARG A 31 -3.311 8.606 -1.326 1.00 0.00 N ATOM 567 CA ARG A 31 -3.297 8.036 0.014 1.00 0.00 C ATOM 568 C ARG A 31 -4.652 8.225 0.689 1.00 0.00 C ATOM 569 O ARG A 31 -5.273 7.265 1.149 1.00 0.00 O ATOM 570 CB ARG A 31 -2.197 8.698 0.847 1.00 0.00 C ATOM 571 CG ARG A 31 -2.078 8.152 2.261 1.00 0.00 C ATOM 572 CD ARG A 31 -0.690 8.396 2.837 1.00 0.00 C ATOM 573 NE ARG A 31 -0.742 9.096 4.118 1.00 0.00 N ATOM 574 CZ ARG A 31 -1.089 10.374 4.253 1.00 0.00 C ATOM 575 NH1 ARG A 31 -1.403 11.102 3.187 1.00 0.00 N ATOM 576 NH2 ARG A 31 -1.122 10.929 5.457 1.00 0.00 N ATOM 0 H ARG A 31 -2.651 9.371 -1.466 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.095 6.967 -0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.242 8.569 0.337 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.389 9.770 0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.826 8.623 2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.290 7.083 2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.179 7.442 2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.102 8.980 2.129 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.498 8.574 4.960 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.379 10.682 2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.668 12.081 3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.881 10.377 6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.388 11.908 5.560 1.00 0.00 H new ATOM 590 N GLN A 32 -5.102 9.474 0.736 1.00 0.00 N ATOM 591 CA GLN A 32 -6.384 9.808 1.346 1.00 0.00 C ATOM 592 C GLN A 32 -7.543 9.234 0.535 1.00 0.00 C ATOM 593 O GLN A 32 -8.583 8.880 1.088 1.00 0.00 O ATOM 594 CB GLN A 32 -6.535 11.326 1.464 1.00 0.00 C ATOM 595 CG GLN A 32 -7.734 11.757 2.295 1.00 0.00 C ATOM 596 CD GLN A 32 -8.678 12.666 1.533 1.00 0.00 C ATOM 597 OE1 GLN A 32 -9.105 12.224 0.356 1.00 0.00 O flip ATOM 598 NE2 GLN A 32 -9.021 13.755 1.997 1.00 0.00 N flip ATOM 0 H GLN A 32 -4.596 10.275 0.357 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.408 9.366 2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.629 11.739 1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.624 11.752 0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.277 10.872 2.627 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.384 12.271 3.190 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.669 14.056 2.906 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.657 14.355 1.472 1.00 0.00 H new ATOM 607 N GLN A 33 -7.356 9.147 -0.778 1.00 0.00 N ATOM 608 CA GLN A 33 -8.388 8.618 -1.662 1.00 0.00 C ATOM 609 C GLN A 33 -8.617 7.133 -1.401 1.00 0.00 C ATOM 610 O GLN A 33 -9.752 6.693 -1.216 1.00 0.00 O ATOM 611 CB GLN A 33 -7.999 8.835 -3.126 1.00 0.00 C ATOM 612 CG GLN A 33 -8.524 10.137 -3.707 1.00 0.00 C ATOM 613 CD GLN A 33 -9.019 9.982 -5.132 1.00 0.00 C ATOM 614 OE1 GLN A 33 -8.635 10.740 -6.022 1.00 0.00 O ATOM 615 NE2 GLN A 33 -9.876 8.992 -5.355 1.00 0.00 N ATOM 0 H GLN A 33 -6.501 9.436 -1.253 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.315 9.154 -1.457 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.912 8.821 -3.211 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.376 8.003 -3.721 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.337 10.508 -3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.734 10.887 -3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.168 8.387 -4.587 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.243 8.837 -6.294 1.00 0.00 H new ATOM 624 N LEU A 34 -7.532 6.367 -1.387 1.00 0.00 N ATOM 625 CA LEU A 34 -7.615 4.932 -1.148 1.00 0.00 C ATOM 626 C LEU A 34 -8.176 4.645 0.241 1.00 0.00 C ATOM 627 O LEU A 34 -9.016 3.763 0.412 1.00 0.00 O ATOM 628 CB LEU A 34 -6.235 4.288 -1.297 1.00 0.00 C ATOM 629 CG LEU A 34 -5.810 3.996 -2.737 1.00 0.00 C ATOM 630 CD1 LEU A 34 -4.296 4.054 -2.867 1.00 0.00 C ATOM 631 CD2 LEU A 34 -6.334 2.639 -3.181 1.00 0.00 C ATOM 0 H LEU A 34 -6.586 6.716 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.290 4.503 -1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.493 4.944 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.224 3.355 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.239 4.759 -3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.011 3.844 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.945 5.048 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.846 3.312 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.023 2.447 -4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.933 1.863 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.423 2.633 -3.125 1.00 0.00 H new ATOM 643 N SER A 35 -7.707 5.400 1.230 1.00 0.00 N ATOM 644 CA SER A 35 -8.163 5.227 2.604 1.00 0.00 C ATOM 645 C SER A 35 -9.664 5.473 2.714 1.00 0.00 C ATOM 646 O SER A 35 -10.380 4.720 3.372 1.00 0.00 O ATOM 647 CB SER A 35 -7.409 6.179 3.535 1.00 0.00 C ATOM 648 OG SER A 35 -6.476 5.476 4.335 1.00 0.00 O ATOM 0 H SER A 35 -7.012 6.136 1.105 1.00 0.00 H new ATOM 0 HA SER A 35 -7.959 4.199 2.902 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.890 6.935 2.945 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.118 6.705 4.175 1.00 0.00 H new ATOM 0 HG SER A 35 -6.820 5.401 5.250 1.00 0.00 H new ATOM 654 N SER A 36 -10.129 6.539 2.074 1.00 0.00 N ATOM 655 CA SER A 36 -11.544 6.897 2.102 1.00 0.00 C ATOM 656 C SER A 36 -12.394 5.905 1.306 1.00 0.00 C ATOM 657 O SER A 36 -13.428 5.437 1.783 1.00 0.00 O ATOM 658 CB SER A 36 -11.741 8.310 1.549 1.00 0.00 C ATOM 659 OG SER A 36 -12.584 9.075 2.392 1.00 0.00 O ATOM 0 H SER A 36 -9.546 7.173 1.528 1.00 0.00 H new ATOM 0 HA SER A 36 -11.872 6.863 3.141 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.774 8.804 1.452 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.173 8.256 0.550 1.00 0.00 H new ATOM 0 HG SER A 36 -12.692 9.974 2.017 1.00 0.00 H new ATOM 665 N GLU A 37 -11.963 5.607 0.085 1.00 0.00 N ATOM 666 CA GLU A 37 -12.693 4.692 -0.790 1.00 0.00 C ATOM 667 C GLU A 37 -12.780 3.284 -0.204 1.00 0.00 C ATOM 668 O GLU A 37 -13.828 2.643 -0.270 1.00 0.00 O ATOM 669 CB GLU A 37 -12.031 4.638 -2.166 1.00 0.00 C ATOM 670 CG GLU A 37 -12.835 3.863 -3.198 1.00 0.00 C ATOM 671 CD GLU A 37 -14.247 4.394 -3.354 1.00 0.00 C ATOM 672 OE1 GLU A 37 -14.411 5.479 -3.950 1.00 0.00 O ATOM 673 OE2 GLU A 37 -15.188 3.723 -2.879 1.00 0.00 O ATOM 0 H GLU A 37 -11.109 5.986 -0.324 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.709 5.076 -0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.878 5.655 -2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.046 4.182 -2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.325 3.909 -4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.875 2.813 -2.908 1.00 0.00 H new ATOM 680 N LEU A 38 -11.677 2.802 0.359 1.00 0.00 N ATOM 681 CA LEU A 38 -11.644 1.463 0.939 1.00 0.00 C ATOM 682 C LEU A 38 -12.151 1.472 2.378 1.00 0.00 C ATOM 683 O LEU A 38 -13.032 0.693 2.740 1.00 0.00 O ATOM 684 CB LEU A 38 -10.224 0.898 0.891 1.00 0.00 C ATOM 685 CG LEU A 38 -9.586 0.860 -0.500 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.159 0.334 -0.421 1.00 0.00 C ATOM 687 CD2 LEU A 38 -10.423 0.009 -1.448 1.00 0.00 C ATOM 0 H LEU A 38 -10.798 3.315 0.426 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.303 0.827 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.590 1.494 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.239 -0.114 1.295 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.553 1.877 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.723 0.315 -1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.566 0.985 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.165 -0.675 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.955 -0.007 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.490 -1.008 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.424 0.432 -1.529 1.00 0.00 H new ATOM 699 N GLY A 39 -11.583 2.353 3.191 1.00 0.00 N ATOM 700 CA GLY A 39 -11.984 2.446 4.582 1.00 0.00 C ATOM 701 C GLY A 39 -10.855 2.089 5.527 1.00 0.00 C ATOM 702 O GLY A 39 -11.068 1.420 6.538 1.00 0.00 O ATOM 0 H GLY A 39 -10.851 3.006 2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.326 3.459 4.793 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.829 1.781 4.760 1.00 0.00 H new ATOM 706 N LEU A 40 -9.648 2.533 5.192 1.00 0.00 N ATOM 707 CA LEU A 40 -8.475 2.255 6.013 1.00 0.00 C ATOM 708 C LEU A 40 -7.747 3.544 6.378 1.00 0.00 C ATOM 709 O LEU A 40 -8.145 4.632 5.964 1.00 0.00 O ATOM 710 CB LEU A 40 -7.525 1.310 5.274 1.00 0.00 C ATOM 711 CG LEU A 40 -8.199 0.107 4.608 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.716 -0.056 3.173 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.939 -1.163 5.408 1.00 0.00 C ATOM 0 H LEU A 40 -9.456 3.087 4.357 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.811 1.777 6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.992 1.878 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.778 0.945 5.979 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.274 0.287 4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.208 -0.916 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.957 0.842 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.637 -0.210 3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.426 -2.007 4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.866 -1.345 5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.339 -1.047 6.415 1.00 0.00 H new ATOM 725 N ASN A 41 -6.680 3.412 7.158 1.00 0.00 N ATOM 726 CA ASN A 41 -5.895 4.565 7.582 1.00 0.00 C ATOM 727 C ASN A 41 -4.889 4.971 6.509 1.00 0.00 C ATOM 728 O ASN A 41 -4.268 4.120 5.870 1.00 0.00 O ATOM 729 CB ASN A 41 -5.164 4.258 8.891 1.00 0.00 C ATOM 730 CG ASN A 41 -6.110 3.835 9.996 1.00 0.00 C ATOM 731 OD1 ASN A 41 -6.619 2.715 10.000 1.00 0.00 O ATOM 732 ND2 ASN A 41 -6.352 4.735 10.944 1.00 0.00 N ATOM 0 H ASN A 41 -6.339 2.517 7.510 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.581 5.397 7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.434 3.467 8.719 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.609 5.140 9.210 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.981 4.508 11.714 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.908 5.652 10.902 1.00 0.00 H new ATOM 739 N GLU A 42 -4.729 6.277 6.321 1.00 0.00 N ATOM 740 CA GLU A 42 -3.794 6.801 5.331 1.00 0.00 C ATOM 741 C GLU A 42 -2.406 6.197 5.526 1.00 0.00 C ATOM 742 O GLU A 42 -1.728 5.842 4.561 1.00 0.00 O ATOM 743 CB GLU A 42 -3.723 8.325 5.428 1.00 0.00 C ATOM 744 CG GLU A 42 -4.846 9.034 4.688 1.00 0.00 C ATOM 745 CD GLU A 42 -4.901 10.518 4.995 1.00 0.00 C ATOM 746 OE1 GLU A 42 -4.664 10.892 6.163 1.00 0.00 O ATOM 747 OE2 GLU A 42 -5.182 11.306 4.068 1.00 0.00 O ATOM 0 H GLU A 42 -5.235 6.993 6.842 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.153 6.525 4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.751 8.616 6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.766 8.662 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.715 8.893 3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.798 8.576 4.955 1.00 0.00 H new ATOM 754 N ALA A 43 -1.997 6.074 6.785 1.00 0.00 N ATOM 755 CA ALA A 43 -0.698 5.503 7.113 1.00 0.00 C ATOM 756 C ALA A 43 -0.630 4.039 6.697 1.00 0.00 C ATOM 757 O ALA A 43 0.427 3.539 6.313 1.00 0.00 O ATOM 758 CB ALA A 43 -0.422 5.644 8.602 1.00 0.00 C ATOM 0 H ALA A 43 -2.547 6.363 7.594 1.00 0.00 H new ATOM 0 HA ALA A 43 0.067 6.050 6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.552 5.213 8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.426 6.699 8.874 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.194 5.121 9.166 1.00 0.00 H new ATOM 764 N GLN A 44 -1.770 3.358 6.772 1.00 0.00 N ATOM 765 CA GLN A 44 -1.842 1.951 6.400 1.00 0.00 C ATOM 766 C GLN A 44 -1.664 1.790 4.896 1.00 0.00 C ATOM 767 O GLN A 44 -1.008 0.855 4.435 1.00 0.00 O ATOM 768 CB GLN A 44 -3.180 1.351 6.840 1.00 0.00 C ATOM 769 CG GLN A 44 -3.057 0.370 7.994 1.00 0.00 C ATOM 770 CD GLN A 44 -2.357 0.971 9.197 1.00 0.00 C ATOM 771 OE1 GLN A 44 -1.157 0.777 9.391 1.00 0.00 O ATOM 772 NE2 GLN A 44 -3.106 1.704 10.012 1.00 0.00 N ATOM 0 H GLN A 44 -2.654 3.758 7.086 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.037 1.419 6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.853 2.158 7.130 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.638 0.844 5.991 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.051 0.033 8.287 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.508 -0.510 7.661 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.097 1.838 9.811 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.690 2.133 10.839 1.00 0.00 H new ATOM 781 N ILE A 45 -2.239 2.714 4.135 1.00 0.00 N ATOM 782 CA ILE A 45 -2.126 2.676 2.684 1.00 0.00 C ATOM 783 C ILE A 45 -0.681 2.902 2.258 1.00 0.00 C ATOM 784 O ILE A 45 -0.149 2.180 1.415 1.00 0.00 O ATOM 785 CB ILE A 45 -3.020 3.739 2.015 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.447 3.659 2.559 1.00 0.00 C ATOM 787 CG2 ILE A 45 -3.013 3.562 0.503 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.128 2.337 2.281 1.00 0.00 C ATOM 0 H ILE A 45 -2.786 3.495 4.498 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.458 1.689 2.361 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.619 4.725 2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.426 3.828 3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.039 4.462 2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.649 4.320 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.995 3.668 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.391 2.571 0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.136 2.353 2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.181 2.174 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.558 1.530 2.742 1.00 0.00 H new ATOM 800 N LYS A 46 -0.049 3.910 2.853 1.00 0.00 N ATOM 801 CA LYS A 46 1.338 4.233 2.545 1.00 0.00 C ATOM 802 C LYS A 46 2.253 3.044 2.825 1.00 0.00 C ATOM 803 O LYS A 46 3.112 2.705 2.012 1.00 0.00 O ATOM 804 CB LYS A 46 1.796 5.446 3.359 1.00 0.00 C ATOM 805 CG LYS A 46 2.671 6.410 2.574 1.00 0.00 C ATOM 806 CD LYS A 46 4.115 5.932 2.513 1.00 0.00 C ATOM 807 CE LYS A 46 4.585 5.755 1.078 1.00 0.00 C ATOM 808 NZ LYS A 46 5.815 4.918 0.991 1.00 0.00 N ATOM 0 H LYS A 46 -0.477 4.517 3.552 1.00 0.00 H new ATOM 0 HA LYS A 46 1.399 4.472 1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.919 5.980 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.346 5.099 4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.279 6.517 1.562 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.633 7.396 3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.758 6.650 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.209 4.986 3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.791 5.294 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.780 6.733 0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.594 5.486 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.073 4.581 1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.637 4.102 0.371 1.00 0.00 H new ATOM 822 N ILE A 47 2.063 2.416 3.983 1.00 0.00 N ATOM 823 CA ILE A 47 2.875 1.267 4.366 1.00 0.00 C ATOM 824 C ILE A 47 2.670 0.104 3.401 1.00 0.00 C ATOM 825 O ILE A 47 3.621 -0.587 3.039 1.00 0.00 O ATOM 826 CB ILE A 47 2.556 0.799 5.802 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.803 1.934 6.797 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.390 -0.423 6.168 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.018 1.790 8.083 1.00 0.00 C ATOM 0 H ILE A 47 1.357 2.683 4.669 1.00 0.00 H new ATOM 0 HA ILE A 47 3.916 1.589 4.326 1.00 0.00 H new ATOM 0 HB ILE A 47 1.504 0.519 5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.866 1.975 7.032 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.544 2.882 6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.150 -0.736 7.184 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.169 -1.235 5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.449 -0.172 6.107 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.242 2.629 8.742 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.951 1.779 7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.295 0.858 8.576 1.00 0.00 H new ATOM 841 N TRP A 48 1.425 -0.110 2.987 1.00 0.00 N ATOM 842 CA TRP A 48 1.109 -1.193 2.064 1.00 0.00 C ATOM 843 C TRP A 48 1.855 -1.016 0.748 1.00 0.00 C ATOM 844 O TRP A 48 2.490 -1.946 0.253 1.00 0.00 O ATOM 845 CB TRP A 48 -0.396 -1.261 1.799 1.00 0.00 C ATOM 846 CG TRP A 48 -0.784 -2.429 0.945 1.00 0.00 C ATOM 847 CD1 TRP A 48 -1.214 -3.651 1.376 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.768 -2.490 -0.487 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.465 -4.468 0.302 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.199 -3.780 -0.853 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.431 -1.580 -1.497 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.301 -4.182 -2.181 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.534 -1.983 -2.815 1.00 0.00 C ATOM 854 CH2 TRP A 48 -0.966 -3.274 -3.147 1.00 0.00 C ATOM 0 H TRP A 48 0.622 0.450 3.275 1.00 0.00 H new ATOM 0 HA TRP A 48 1.427 -2.127 2.527 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.925 -1.321 2.750 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.717 -0.339 1.313 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.338 -3.934 2.411 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.796 -5.431 0.355 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.097 -0.583 -1.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.633 -5.176 -2.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.277 -1.291 -3.603 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.036 -3.558 -4.187 1.00 0.00 H new ATOM 865 N PHE A 49 1.776 0.185 0.188 1.00 0.00 N ATOM 866 CA PHE A 49 2.448 0.482 -1.068 1.00 0.00 C ATOM 867 C PHE A 49 3.960 0.374 -0.905 1.00 0.00 C ATOM 868 O PHE A 49 4.642 -0.225 -1.735 1.00 0.00 O ATOM 869 CB PHE A 49 2.067 1.879 -1.559 1.00 0.00 C ATOM 870 CG PHE A 49 1.041 1.864 -2.654 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.298 1.657 -2.365 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.417 2.051 -3.973 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.245 1.639 -3.372 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.475 2.034 -4.985 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.856 1.827 -4.683 1.00 0.00 C ATOM 0 H PHE A 49 1.254 0.967 0.584 1.00 0.00 H new ATOM 0 HA PHE A 49 2.127 -0.249 -1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.684 2.460 -0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.962 2.388 -1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.606 1.508 -1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.457 2.212 -4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.286 1.478 -3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.780 2.182 -6.010 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.593 1.812 -5.472 1.00 0.00 H new ATOM 885 N GLN A 50 4.475 0.952 0.176 1.00 0.00 N ATOM 886 CA GLN A 50 5.906 0.914 0.452 1.00 0.00 C ATOM 887 C GLN A 50 6.391 -0.528 0.570 1.00 0.00 C ATOM 888 O GLN A 50 7.469 -0.873 0.088 1.00 0.00 O ATOM 889 CB GLN A 50 6.220 1.674 1.742 1.00 0.00 C ATOM 890 CG GLN A 50 7.704 1.923 1.958 1.00 0.00 C ATOM 891 CD GLN A 50 8.314 0.967 2.963 1.00 0.00 C ATOM 892 OE1 GLN A 50 9.339 0.338 2.696 1.00 0.00 O ATOM 893 NE2 GLN A 50 7.687 0.851 4.128 1.00 0.00 N ATOM 0 H GLN A 50 3.923 1.451 0.874 1.00 0.00 H new ATOM 0 HA GLN A 50 6.426 1.393 -0.378 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.699 2.631 1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.828 1.112 2.589 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.227 1.827 1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.851 2.947 2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.840 1.391 4.308 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.052 0.222 4.843 1.00 0.00 H new ATOM 902 N ASN A 51 5.581 -1.364 1.211 1.00 0.00 N ATOM 903 CA ASN A 51 5.923 -2.769 1.389 1.00 0.00 C ATOM 904 C ASN A 51 5.903 -3.501 0.052 1.00 0.00 C ATOM 905 O ASN A 51 6.818 -4.261 -0.264 1.00 0.00 O ATOM 906 CB ASN A 51 4.948 -3.434 2.365 1.00 0.00 C ATOM 907 CG ASN A 51 5.650 -4.012 3.578 1.00 0.00 C ATOM 908 OD1 ASN A 51 6.828 -4.364 3.520 1.00 0.00 O ATOM 909 ND2 ASN A 51 4.925 -4.115 4.687 1.00 0.00 N ATOM 0 H ASN A 51 4.685 -1.093 1.615 1.00 0.00 H new ATOM 0 HA ASN A 51 6.930 -2.826 1.801 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.208 -2.703 2.691 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.406 -4.227 1.850 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.342 -4.498 5.535 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.951 -3.811 4.690 1.00 0.00 H new ATOM 916 N LYS A 52 4.853 -3.267 -0.728 1.00 0.00 N ATOM 917 CA LYS A 52 4.710 -3.904 -2.032 1.00 0.00 C ATOM 918 C LYS A 52 5.790 -3.423 -2.997 1.00 0.00 C ATOM 919 O LYS A 52 6.270 -4.186 -3.836 1.00 0.00 O ATOM 920 CB LYS A 52 3.323 -3.617 -2.613 1.00 0.00 C ATOM 921 CG LYS A 52 2.634 -4.851 -3.176 1.00 0.00 C ATOM 922 CD LYS A 52 2.116 -4.608 -4.586 1.00 0.00 C ATOM 923 CE LYS A 52 2.350 -5.815 -5.481 1.00 0.00 C ATOM 924 NZ LYS A 52 3.797 -6.030 -5.760 1.00 0.00 N ATOM 0 H LYS A 52 4.088 -2.640 -0.479 1.00 0.00 H new ATOM 0 HA LYS A 52 4.825 -4.980 -1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.695 -3.183 -1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.416 -2.870 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.333 -5.687 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.805 -5.134 -2.527 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.050 -4.382 -4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.612 -3.736 -5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.936 -6.704 -5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.816 -5.678 -6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.903 -6.619 -6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.261 -5.112 -5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.239 -6.510 -4.950 1.00 0.00 H new ATOM 938 N ARG A 53 6.172 -2.156 -2.870 1.00 0.00 N ATOM 939 CA ARG A 53 7.197 -1.578 -3.730 1.00 0.00 C ATOM 940 C ARG A 53 8.556 -2.213 -3.452 1.00 0.00 C ATOM 941 O ARG A 53 9.380 -2.364 -4.355 1.00 0.00 O ATOM 942 CB ARG A 53 7.275 -0.063 -3.520 1.00 0.00 C ATOM 943 CG ARG A 53 7.316 0.730 -4.818 1.00 0.00 C ATOM 944 CD ARG A 53 8.679 1.366 -5.046 1.00 0.00 C ATOM 945 NE ARG A 53 9.330 0.845 -6.247 1.00 0.00 N ATOM 946 CZ ARG A 53 10.576 0.371 -6.279 1.00 0.00 C ATOM 947 NH1 ARG A 53 11.322 0.349 -5.181 1.00 0.00 N ATOM 948 NH2 ARG A 53 11.078 -0.084 -7.419 1.00 0.00 N ATOM 0 H ARG A 53 5.787 -1.511 -2.180 1.00 0.00 H new ATOM 0 HA ARG A 53 6.925 -1.779 -4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.414 0.259 -2.934 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.164 0.169 -2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.077 0.073 -5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.551 1.507 -4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.565 2.446 -5.135 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.315 1.182 -4.180 1.00 0.00 H new ATOM 0 HE ARG A 53 8.797 0.844 -7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.943 0.697 -4.300 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.274 -0.016 -5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.511 -0.071 -8.267 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.031 -0.447 -7.448 1.00 0.00 H new ATOM 962 N ALA A 54 8.782 -2.584 -2.196 1.00 0.00 N ATOM 963 CA ALA A 54 10.040 -3.202 -1.794 1.00 0.00 C ATOM 964 C ALA A 54 10.175 -4.612 -2.363 1.00 0.00 C ATOM 965 O ALA A 54 11.284 -5.120 -2.524 1.00 0.00 O ATOM 966 CB ALA A 54 10.150 -3.231 -0.277 1.00 0.00 C ATOM 0 H ALA A 54 8.109 -2.467 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 54 10.854 -2.600 -2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.094 -3.695 0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.113 -2.213 0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.322 -3.806 0.137 1.00 0.00 H new ATOM 972 N LYS A 55 9.042 -5.242 -2.663 1.00 0.00 N ATOM 973 CA LYS A 55 9.047 -6.595 -3.212 1.00 0.00 C ATOM 974 C LYS A 55 9.490 -6.588 -4.670 1.00 0.00 C ATOM 975 O LYS A 55 10.190 -7.495 -5.120 1.00 0.00 O ATOM 976 CB LYS A 55 7.659 -7.226 -3.094 1.00 0.00 C ATOM 977 CG LYS A 55 7.046 -7.105 -1.710 1.00 0.00 C ATOM 978 CD LYS A 55 7.885 -7.819 -0.661 1.00 0.00 C ATOM 979 CE LYS A 55 7.997 -7.001 0.615 1.00 0.00 C ATOM 980 NZ LYS A 55 8.063 -7.866 1.826 1.00 0.00 N ATOM 0 H LYS A 55 8.113 -4.840 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 55 9.757 -7.188 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.994 -6.756 -3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.726 -8.281 -3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.950 -6.052 -1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.040 -7.524 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.440 -8.788 -0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.881 -8.011 -1.060 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.888 -6.375 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.140 -6.332 0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.139 -7.270 2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.202 -8.446 1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.895 -8.487 1.764 1.00 0.00 H new ATOM 994 N ILE A 56 9.081 -5.559 -5.404 1.00 0.00 N ATOM 995 CA ILE A 56 9.439 -5.437 -6.812 1.00 0.00 C ATOM 996 C ILE A 56 10.952 -5.348 -6.983 1.00 0.00 C ATOM 997 O ILE A 56 11.521 -5.955 -7.891 1.00 0.00 O ATOM 998 CB ILE A 56 8.785 -4.199 -7.457 1.00 0.00 C ATOM 999 CG1 ILE A 56 7.275 -4.203 -7.210 1.00 0.00 C ATOM 1000 CG2 ILE A 56 9.080 -4.157 -8.950 1.00 0.00 C ATOM 1001 CD1 ILE A 56 6.566 -5.394 -7.819 1.00 0.00 C ATOM 0 H ILE A 56 8.502 -4.798 -5.048 1.00 0.00 H new ATOM 0 HA ILE A 56 9.068 -6.332 -7.313 1.00 0.00 H new ATOM 0 HB ILE A 56 9.208 -3.306 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.091 -4.191 -6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.846 -3.288 -7.617 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.611 -3.277 -9.389 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.158 -4.110 -9.107 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.683 -5.054 -9.425 1.00 0.00 H new ATOM 0 HD11 ILE A 56 5.499 -5.331 -7.604 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.720 -5.396 -8.898 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.968 -6.313 -7.394 1.00 0.00 H new ATOM 1013 N LYS A 57 11.597 -4.590 -6.103 1.00 0.00 N ATOM 1014 CA LYS A 57 13.045 -4.420 -6.153 1.00 0.00 C ATOM 1015 C LYS A 57 13.468 -3.731 -7.447 1.00 0.00 C ATOM 1016 O LYS A 57 12.952 -4.036 -8.522 1.00 0.00 O ATOM 1017 CB LYS A 57 13.745 -5.778 -6.026 1.00 0.00 C ATOM 1018 CG LYS A 57 14.710 -5.856 -4.853 1.00 0.00 C ATOM 1019 CD LYS A 57 14.096 -6.596 -3.674 1.00 0.00 C ATOM 1020 CE LYS A 57 14.485 -5.956 -2.351 1.00 0.00 C ATOM 1021 NZ LYS A 57 13.635 -6.438 -1.228 1.00 0.00 N ATOM 0 H LYS A 57 11.140 -4.083 -5.345 1.00 0.00 H new ATOM 0 HA LYS A 57 13.342 -3.789 -5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.991 -6.558 -5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 57 14.289 -5.985 -6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 57 15.624 -6.362 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.992 -4.849 -4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.010 -6.601 -3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.422 -7.636 -3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.530 -6.176 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.398 -4.873 -2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.997 -6.057 -0.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.656 -6.117 -1.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.658 -7.477 -1.197 1.00 0.00 H new ATOM 1035 N LYS A 58 14.410 -2.801 -7.335 1.00 0.00 N ATOM 1036 CA LYS A 58 14.902 -2.069 -8.496 1.00 0.00 C ATOM 1037 C LYS A 58 15.488 -3.022 -9.532 1.00 0.00 C ATOM 1038 O LYS A 58 15.859 -4.151 -9.211 1.00 0.00 O ATOM 1039 CB LYS A 58 15.957 -1.045 -8.072 1.00 0.00 C ATOM 1040 CG LYS A 58 15.472 -0.080 -7.003 1.00 0.00 C ATOM 1041 CD LYS A 58 16.183 1.261 -7.099 1.00 0.00 C ATOM 1042 CE LYS A 58 15.347 2.280 -7.857 1.00 0.00 C ATOM 1043 NZ LYS A 58 14.314 2.909 -6.987 1.00 0.00 N ATOM 0 H LYS A 58 14.848 -2.536 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 58 14.059 -1.545 -8.947 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.836 -1.573 -7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.272 -0.477 -8.947 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.397 0.069 -7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.641 -0.513 -6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.394 1.635 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.142 1.131 -7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.998 3.053 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.862 1.794 -8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.766 3.597 -7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.676 2.175 -6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.778 3.395 -6.193 1.00 0.00 H new ATOM 1057 N SER A 59 15.570 -2.560 -10.776 1.00 0.00 N ATOM 1058 CA SER A 59 16.112 -3.372 -11.859 1.00 0.00 C ATOM 1059 C SER A 59 15.267 -4.623 -12.077 1.00 0.00 C ATOM 1060 O SER A 59 14.242 -4.773 -11.379 1.00 0.00 O ATOM 1061 CB SER A 59 17.558 -3.766 -11.556 1.00 0.00 C ATOM 1062 OG SER A 59 18.152 -4.420 -12.665 1.00 0.00 O ATOM 1063 OXT SER A 59 15.638 -5.443 -12.943 1.00 0.00 O ATOM 0 H SER A 59 15.268 -1.628 -11.059 1.00 0.00 H new ATOM 0 HA SER A 59 16.089 -2.776 -12.772 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.135 -2.877 -11.303 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.585 -4.422 -10.686 1.00 0.00 H new ATOM 0 HG SER A 59 17.496 -5.016 -13.084 1.00 0.00 H new TER 1069 SER A 59