USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 627 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 57 ASN : amide:sc= 0.672 X(o=1.3,f=1.3) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0.602 USER MOD Set 2.1: A 25 THR OG1 : rot 12:sc= 0.611 USER MOD Set 2.2: A 27 LYS NZ :NH3+ -151:sc= 1.87 (180deg=0.0223) USER MOD Set 3.1: A 7 THR OG1 : rot 115:sc= 1.03 USER MOD Set 3.2: A 17 LYS NZ :NH3+ -168:sc= 1.21 (180deg=0) USER MOD Set 4.1: A 14 GLN : amide:sc= 0.727 K(o=1.5,f=-5.1!) USER MOD Set 4.2: A 37 LYS NZ :NH3+ -162:sc= 0.816 (180deg=0) USER MOD Set 5.1: A 9 LYS NZ :NH3+ 168:sc= 0.497 (180deg=-0.147) USER MOD Set 5.2: A 15 THR OG1 : rot 155:sc= 0.485 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 4 MET CE :methyl 175:sc= -0.304 (180deg=-0.376) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.205 USER MOD Single : A 12 GLN : amide:sc= 0.899 K(o=0.9,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 1.54 (180deg=1.54) USER MOD Single : A 32 LYS NZ :NH3+ 142:sc= 1.21 (180deg=0.228) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 1.13 (180deg=1) USER MOD Single : A 47 GLN : amide:sc= -0.532 K(o=-0.53,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= 0.926 (180deg=0.806) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= 1.31 (180deg=1.04) USER MOD Single : A 65 TYR OH : rot 149:sc= 0.0294 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00116) USER MOD Single : A 71 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 76 MET CE :methyl 171:sc= 0 (180deg=-0.0719) USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 3 -8.483 -13.159 -2.046 1.00 10.00 N ATOM 22 CA HIS A 3 -7.705 -11.956 -2.344 1.00 10.00 C ATOM 23 C HIS A 3 -8.615 -10.719 -2.464 1.00 10.00 C ATOM 24 O HIS A 3 -9.834 -10.837 -2.611 1.00 10.00 O ATOM 25 CB HIS A 3 -6.894 -12.182 -3.633 1.00 10.00 C ATOM 26 CG HIS A 3 -7.739 -12.420 -4.864 1.00 10.00 C ATOM 27 ND1 HIS A 3 -8.418 -13.578 -5.179 1.00 10.00 N ATOM 28 CD2 HIS A 3 -7.979 -11.526 -5.874 1.00 10.00 C ATOM 29 CE1 HIS A 3 -9.056 -13.387 -6.346 1.00 10.00 C ATOM 30 NE2 HIS A 3 -8.817 -12.146 -6.812 1.00 10.00 N ATOM 0 HA HIS A 3 -7.016 -11.764 -1.521 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -6.258 -11.314 -3.805 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -6.234 -13.037 -3.488 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -7.591 -10.520 -5.937 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -9.673 -14.123 -6.840 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -9.175 -11.738 -7.676 1.00 10.00 H new ATOM 38 N MET A 4 -8.011 -9.531 -2.438 1.00 10.00 N ATOM 39 CA MET A 4 -8.656 -8.245 -2.736 1.00 10.00 C ATOM 40 C MET A 4 -7.720 -7.352 -3.562 1.00 10.00 C ATOM 41 O MET A 4 -6.503 -7.544 -3.541 1.00 10.00 O ATOM 42 CB MET A 4 -9.098 -7.542 -1.438 1.00 10.00 C ATOM 43 CG MET A 4 -7.934 -6.996 -0.597 1.00 10.00 C ATOM 44 SD MET A 4 -8.460 -5.948 0.784 1.00 10.00 S ATOM 45 CE MET A 4 -6.857 -5.216 1.194 1.00 10.00 C ATOM 0 H MET A 4 -7.024 -9.430 -2.201 1.00 10.00 H new ATOM 0 HA MET A 4 -9.549 -8.436 -3.331 1.00 10.00 H new ATOM 0 HB2 MET A 4 -9.767 -6.720 -1.692 1.00 10.00 H new ATOM 0 HB3 MET A 4 -9.672 -8.244 -0.833 1.00 10.00 H new ATOM 0 HG2 MET A 4 -7.356 -7.833 -0.206 1.00 10.00 H new ATOM 0 HG3 MET A 4 -7.268 -6.423 -1.243 1.00 10.00 H new ATOM 0 HE1 MET A 4 -6.988 -4.465 1.973 1.00 10.00 H new ATOM 0 HE2 MET A 4 -6.182 -5.994 1.550 1.00 10.00 H new ATOM 0 HE3 MET A 4 -6.434 -4.747 0.306 1.00 10.00 H new ATOM 55 N GLN A 5 -8.278 -6.353 -4.245 1.00 10.00 N ATOM 56 CA GLN A 5 -7.545 -5.401 -5.083 1.00 10.00 C ATOM 57 C GLN A 5 -7.620 -3.983 -4.492 1.00 10.00 C ATOM 58 O GLN A 5 -8.631 -3.596 -3.902 1.00 10.00 O ATOM 59 CB GLN A 5 -8.119 -5.488 -6.507 1.00 10.00 C ATOM 60 CG GLN A 5 -7.370 -4.627 -7.535 1.00 10.00 C ATOM 61 CD GLN A 5 -8.031 -4.680 -8.911 1.00 10.00 C ATOM 62 OE1 GLN A 5 -8.809 -3.812 -9.281 1.00 10.00 O ATOM 63 NE2 GLN A 5 -7.748 -5.679 -9.718 1.00 10.00 N ATOM 0 H GLN A 5 -9.283 -6.177 -4.231 1.00 10.00 H new ATOM 0 HA GLN A 5 -6.484 -5.649 -5.118 1.00 10.00 H new ATOM 0 HB2 GLN A 5 -8.097 -6.528 -6.834 1.00 10.00 H new ATOM 0 HB3 GLN A 5 -9.165 -5.183 -6.486 1.00 10.00 H new ATOM 0 HG2 GLN A 5 -7.336 -3.594 -7.188 1.00 10.00 H new ATOM 0 HG3 GLN A 5 -6.339 -4.971 -7.614 1.00 10.00 H new ATOM 0 HE21 GLN A 5 -7.100 -6.408 -9.419 1.00 10.00 H new ATOM 0 HE22 GLN A 5 -8.176 -5.725 -10.643 1.00 10.00 H new ATOM 72 N VAL A 6 -6.549 -3.203 -4.661 1.00 10.00 N ATOM 73 CA VAL A 6 -6.383 -1.847 -4.117 1.00 10.00 C ATOM 74 C VAL A 6 -5.709 -0.951 -5.164 1.00 10.00 C ATOM 75 O VAL A 6 -4.864 -1.395 -5.945 1.00 10.00 O ATOM 76 CB VAL A 6 -5.551 -1.873 -2.810 1.00 10.00 C ATOM 77 CG1 VAL A 6 -5.631 -0.524 -2.081 1.00 10.00 C ATOM 78 CG2 VAL A 6 -6.024 -2.935 -1.806 1.00 10.00 C ATOM 0 H VAL A 6 -5.740 -3.509 -5.202 1.00 10.00 H new ATOM 0 HA VAL A 6 -7.367 -1.443 -3.879 1.00 10.00 H new ATOM 0 HB VAL A 6 -4.536 -2.104 -3.133 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -5.039 -0.569 -1.167 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -5.242 0.263 -2.728 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -6.669 -0.307 -1.830 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -5.398 -2.898 -0.915 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -7.060 -2.739 -1.530 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -5.950 -3.923 -2.260 1.00 10.00 H new ATOM 88 N THR A 7 -6.085 0.326 -5.172 1.00 10.00 N ATOM 89 CA THR A 7 -5.544 1.373 -6.050 1.00 10.00 C ATOM 90 C THR A 7 -4.522 2.185 -5.261 1.00 10.00 C ATOM 91 O THR A 7 -4.862 2.729 -4.211 1.00 10.00 O ATOM 92 CB THR A 7 -6.677 2.307 -6.505 1.00 10.00 C ATOM 93 OG1 THR A 7 -7.780 1.581 -6.998 1.00 10.00 O ATOM 94 CG2 THR A 7 -6.244 3.282 -7.591 1.00 10.00 C ATOM 0 H THR A 7 -6.805 0.679 -4.542 1.00 10.00 H new ATOM 0 HA THR A 7 -5.079 0.917 -6.924 1.00 10.00 H new ATOM 0 HB THR A 7 -6.955 2.868 -5.613 1.00 10.00 H new ATOM 0 HG1 THR A 7 -8.555 1.728 -6.416 1.00 10.00 H new ATOM 0 HG21 THR A 7 -7.087 3.914 -7.870 1.00 10.00 H new ATOM 0 HG22 THR A 7 -5.431 3.905 -7.218 1.00 10.00 H new ATOM 0 HG23 THR A 7 -5.903 2.726 -8.464 1.00 10.00 H new ATOM 102 N LEU A 8 -3.275 2.271 -5.722 1.00 10.00 N ATOM 103 CA LEU A 8 -2.170 2.900 -4.992 1.00 10.00 C ATOM 104 C LEU A 8 -1.661 4.117 -5.758 1.00 10.00 C ATOM 105 O LEU A 8 -1.292 3.975 -6.923 1.00 10.00 O ATOM 106 CB LEU A 8 -1.000 1.918 -4.797 1.00 10.00 C ATOM 107 CG LEU A 8 -1.340 0.517 -4.274 1.00 10.00 C ATOM 108 CD1 LEU A 8 -0.049 -0.165 -3.843 1.00 10.00 C ATOM 109 CD2 LEU A 8 -2.246 0.529 -3.050 1.00 10.00 C ATOM 0 H LEU A 8 -2.997 1.899 -6.630 1.00 10.00 H new ATOM 0 HA LEU A 8 -2.550 3.201 -4.016 1.00 10.00 H new ATOM 0 HB2 LEU A 8 -0.490 1.807 -5.754 1.00 10.00 H new ATOM 0 HB3 LEU A 8 -0.289 2.373 -4.107 1.00 10.00 H new ATOM 0 HG LEU A 8 -1.856 0.002 -5.085 1.00 10.00 H new ATOM 0 HD11 LEU A 8 -0.273 -1.164 -3.468 1.00 10.00 H new ATOM 0 HD12 LEU A 8 0.625 -0.240 -4.696 1.00 10.00 H new ATOM 0 HD13 LEU A 8 0.426 0.420 -3.056 1.00 10.00 H new ATOM 0 HD21 LEU A 8 -2.445 -0.495 -2.735 1.00 10.00 H new ATOM 0 HD22 LEU A 8 -1.756 1.069 -2.240 1.00 10.00 H new ATOM 0 HD23 LEU A 8 -3.186 1.021 -3.298 1.00 10.00 H new ATOM 121 N LYS A 9 -1.602 5.288 -5.114 1.00 10.00 N ATOM 122 CA LYS A 9 -1.090 6.527 -5.719 1.00 10.00 C ATOM 123 C LYS A 9 0.101 7.115 -4.970 1.00 10.00 C ATOM 124 O LYS A 9 0.221 6.961 -3.758 1.00 10.00 O ATOM 125 CB LYS A 9 -2.218 7.539 -5.959 1.00 10.00 C ATOM 126 CG LYS A 9 -2.715 8.268 -4.710 1.00 10.00 C ATOM 127 CD LYS A 9 -3.977 9.103 -4.985 1.00 10.00 C ATOM 128 CE LYS A 9 -3.857 10.123 -6.131 1.00 10.00 C ATOM 129 NZ LYS A 9 -4.288 9.570 -7.447 1.00 10.00 N ATOM 0 H LYS A 9 -1.911 5.405 -4.149 1.00 10.00 H new ATOM 0 HA LYS A 9 -0.693 6.261 -6.699 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -1.872 8.280 -6.679 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -3.060 7.019 -6.416 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -2.927 7.540 -3.927 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -1.926 8.919 -4.334 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -4.799 8.424 -5.210 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -4.245 9.637 -4.073 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -4.461 10.999 -5.895 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -2.823 10.459 -6.205 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -4.381 10.344 -8.135 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -3.579 8.888 -7.786 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -5.205 9.091 -7.339 1.00 10.00 H new ATOM 143 N THR A 10 0.992 7.776 -5.699 1.00 10.00 N ATOM 144 CA THR A 10 2.321 8.162 -5.206 1.00 10.00 C ATOM 145 C THR A 10 2.402 9.628 -4.780 1.00 10.00 C ATOM 146 O THR A 10 1.621 10.479 -5.215 1.00 10.00 O ATOM 147 CB THR A 10 3.392 7.900 -6.283 1.00 10.00 C ATOM 148 OG1 THR A 10 3.196 8.763 -7.382 1.00 10.00 O ATOM 149 CG2 THR A 10 3.394 6.466 -6.809 1.00 10.00 C ATOM 0 H THR A 10 0.816 8.065 -6.661 1.00 10.00 H new ATOM 0 HA THR A 10 2.504 7.548 -4.324 1.00 10.00 H new ATOM 0 HB THR A 10 4.350 8.081 -5.795 1.00 10.00 H new ATOM 0 HG1 THR A 10 3.882 8.590 -8.060 1.00 10.00 H new ATOM 0 HG21 THR A 10 4.173 6.356 -7.563 1.00 10.00 H new ATOM 0 HG22 THR A 10 3.585 5.777 -5.986 1.00 10.00 H new ATOM 0 HG23 THR A 10 2.425 6.240 -7.253 1.00 10.00 H new ATOM 157 N LEU A 11 3.448 9.948 -4.012 1.00 10.00 N ATOM 158 CA LEU A 11 3.964 11.309 -3.796 1.00 10.00 C ATOM 159 C LEU A 11 4.512 12.012 -5.067 1.00 10.00 C ATOM 160 O LEU A 11 5.101 13.089 -4.965 1.00 10.00 O ATOM 161 CB LEU A 11 4.989 11.280 -2.639 1.00 10.00 C ATOM 162 CG LEU A 11 6.411 10.762 -2.952 1.00 10.00 C ATOM 163 CD1 LEU A 11 7.264 10.861 -1.689 1.00 10.00 C ATOM 164 CD2 LEU A 11 6.455 9.307 -3.433 1.00 10.00 C ATOM 0 H LEU A 11 3.980 9.242 -3.503 1.00 10.00 H new ATOM 0 HA LEU A 11 3.116 11.935 -3.519 1.00 10.00 H new ATOM 0 HB2 LEU A 11 5.080 12.293 -2.246 1.00 10.00 H new ATOM 0 HB3 LEU A 11 4.576 10.664 -1.840 1.00 10.00 H new ATOM 0 HG LEU A 11 6.788 11.384 -3.763 1.00 10.00 H new ATOM 0 HD11 LEU A 11 8.270 10.498 -1.900 1.00 10.00 H new ATOM 0 HD12 LEU A 11 7.314 11.900 -1.364 1.00 10.00 H new ATOM 0 HD13 LEU A 11 6.818 10.256 -0.900 1.00 10.00 H new ATOM 0 HD21 LEU A 11 7.488 9.020 -3.631 1.00 10.00 H new ATOM 0 HD22 LEU A 11 6.039 8.657 -2.663 1.00 10.00 H new ATOM 0 HD23 LEU A 11 5.869 9.208 -4.347 1.00 10.00 H new ATOM 176 N GLN A 12 4.345 11.417 -6.255 1.00 10.00 N ATOM 177 CA GLN A 12 4.799 11.915 -7.563 1.00 10.00 C ATOM 178 C GLN A 12 3.671 11.880 -8.622 1.00 10.00 C ATOM 179 O GLN A 12 3.938 11.893 -9.826 1.00 10.00 O ATOM 180 CB GLN A 12 6.042 11.122 -8.018 1.00 10.00 C ATOM 181 CG GLN A 12 7.280 11.266 -7.115 1.00 10.00 C ATOM 182 CD GLN A 12 7.937 12.645 -7.213 1.00 10.00 C ATOM 183 OE1 GLN A 12 8.846 12.874 -8.002 1.00 10.00 O ATOM 184 NE2 GLN A 12 7.516 13.616 -6.428 1.00 10.00 N ATOM 0 H GLN A 12 3.861 10.523 -6.335 1.00 10.00 H new ATOM 0 HA GLN A 12 5.077 12.963 -7.455 1.00 10.00 H new ATOM 0 HB2 GLN A 12 5.777 10.066 -8.078 1.00 10.00 H new ATOM 0 HB3 GLN A 12 6.308 11.442 -9.025 1.00 10.00 H new ATOM 0 HG2 GLN A 12 6.991 11.080 -6.080 1.00 10.00 H new ATOM 0 HG3 GLN A 12 8.010 10.502 -7.384 1.00 10.00 H new ATOM 0 HE21 GLN A 12 6.760 13.444 -5.765 1.00 10.00 H new ATOM 0 HE22 GLN A 12 7.946 14.539 -6.484 1.00 10.00 H new ATOM 193 N GLN A 13 2.402 11.878 -8.182 1.00 10.00 N ATOM 194 CA GLN A 13 1.202 12.028 -9.023 1.00 10.00 C ATOM 195 C GLN A 13 1.052 10.928 -10.100 1.00 10.00 C ATOM 196 O GLN A 13 0.816 11.207 -11.281 1.00 10.00 O ATOM 197 CB GLN A 13 1.115 13.463 -9.589 1.00 10.00 C ATOM 198 CG GLN A 13 1.141 14.558 -8.506 1.00 10.00 C ATOM 199 CD GLN A 13 1.191 15.952 -9.128 1.00 10.00 C ATOM 200 OE1 GLN A 13 0.189 16.644 -9.264 1.00 10.00 O ATOM 201 NE2 GLN A 13 2.356 16.417 -9.533 1.00 10.00 N ATOM 0 H GLN A 13 2.175 11.768 -7.194 1.00 10.00 H new ATOM 0 HA GLN A 13 0.336 11.876 -8.379 1.00 10.00 H new ATOM 0 HB2 GLN A 13 1.946 13.624 -10.276 1.00 10.00 H new ATOM 0 HB3 GLN A 13 0.198 13.560 -10.170 1.00 10.00 H new ATOM 0 HG2 GLN A 13 0.256 14.470 -7.876 1.00 10.00 H new ATOM 0 HG3 GLN A 13 2.008 14.414 -7.861 1.00 10.00 H new ATOM 0 HE21 GLN A 13 3.197 15.850 -9.425 1.00 10.00 H new ATOM 0 HE22 GLN A 13 2.417 17.344 -9.954 1.00 10.00 H new ATOM 210 N GLN A 14 1.176 9.663 -9.687 1.00 10.00 N ATOM 211 CA GLN A 14 0.993 8.462 -10.508 1.00 10.00 C ATOM 212 C GLN A 14 0.158 7.456 -9.705 1.00 10.00 C ATOM 213 O GLN A 14 0.265 7.428 -8.478 1.00 10.00 O ATOM 214 CB GLN A 14 2.387 7.906 -10.859 1.00 10.00 C ATOM 215 CG GLN A 14 2.329 6.637 -11.719 1.00 10.00 C ATOM 216 CD GLN A 14 3.722 6.161 -12.119 1.00 10.00 C ATOM 217 OE1 GLN A 14 4.395 5.437 -11.393 1.00 10.00 O ATOM 218 NE2 GLN A 14 4.215 6.537 -13.279 1.00 10.00 N ATOM 0 H GLN A 14 1.419 9.437 -8.722 1.00 10.00 H new ATOM 0 HA GLN A 14 0.466 8.676 -11.438 1.00 10.00 H new ATOM 0 HB2 GLN A 14 2.954 8.671 -11.389 1.00 10.00 H new ATOM 0 HB3 GLN A 14 2.928 7.689 -9.938 1.00 10.00 H new ATOM 0 HG2 GLN A 14 1.819 5.847 -11.168 1.00 10.00 H new ATOM 0 HG3 GLN A 14 1.740 6.832 -12.615 1.00 10.00 H new ATOM 0 HE21 GLN A 14 3.668 7.139 -13.895 1.00 10.00 H new ATOM 0 HE22 GLN A 14 5.144 6.227 -13.563 1.00 10.00 H new ATOM 227 N THR A 15 -0.659 6.629 -10.368 1.00 10.00 N ATOM 228 CA THR A 15 -1.548 5.652 -9.705 1.00 10.00 C ATOM 229 C THR A 15 -1.552 4.300 -10.432 1.00 10.00 C ATOM 230 O THR A 15 -1.483 4.253 -11.663 1.00 10.00 O ATOM 231 CB THR A 15 -2.986 6.193 -9.586 1.00 10.00 C ATOM 232 OG1 THR A 15 -3.016 7.543 -9.149 1.00 10.00 O ATOM 233 CG2 THR A 15 -3.826 5.406 -8.590 1.00 10.00 C ATOM 0 H THR A 15 -0.726 6.614 -11.386 1.00 10.00 H new ATOM 0 HA THR A 15 -1.151 5.496 -8.702 1.00 10.00 H new ATOM 0 HB THR A 15 -3.395 6.099 -10.592 1.00 10.00 H new ATOM 0 HG1 THR A 15 -3.844 7.968 -9.456 1.00 10.00 H new ATOM 0 HG21 THR A 15 -4.829 5.829 -8.546 1.00 10.00 H new ATOM 0 HG22 THR A 15 -3.885 4.365 -8.907 1.00 10.00 H new ATOM 0 HG23 THR A 15 -3.366 5.459 -7.603 1.00 10.00 H new ATOM 241 N PHE A 16 -1.632 3.196 -9.679 1.00 10.00 N ATOM 242 CA PHE A 16 -1.550 1.812 -10.169 1.00 10.00 C ATOM 243 C PHE A 16 -2.426 0.851 -9.337 1.00 10.00 C ATOM 244 O PHE A 16 -2.996 1.242 -8.319 1.00 10.00 O ATOM 245 CB PHE A 16 -0.070 1.376 -10.238 1.00 10.00 C ATOM 246 CG PHE A 16 0.716 1.418 -8.936 1.00 10.00 C ATOM 247 CD1 PHE A 16 1.238 2.639 -8.458 1.00 10.00 C ATOM 248 CD2 PHE A 16 0.970 0.231 -8.219 1.00 10.00 C ATOM 249 CE1 PHE A 16 1.967 2.679 -7.255 1.00 10.00 C ATOM 250 CE2 PHE A 16 1.721 0.273 -7.035 1.00 10.00 C ATOM 251 CZ PHE A 16 2.203 1.495 -6.538 1.00 10.00 C ATOM 0 H PHE A 16 -1.761 3.243 -8.668 1.00 10.00 H new ATOM 0 HA PHE A 16 -1.959 1.768 -11.178 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -0.033 0.358 -10.625 1.00 10.00 H new ATOM 0 HB3 PHE A 16 0.438 2.011 -10.963 1.00 10.00 H new ATOM 0 HD1 PHE A 16 1.077 3.548 -9.019 1.00 10.00 H new ATOM 0 HD2 PHE A 16 0.586 -0.711 -8.582 1.00 10.00 H new ATOM 0 HE1 PHE A 16 2.345 3.620 -6.883 1.00 10.00 H new ATOM 0 HE2 PHE A 16 1.930 -0.642 -6.501 1.00 10.00 H new ATOM 0 HZ PHE A 16 2.753 1.524 -5.609 1.00 10.00 H new ATOM 261 N LYS A 17 -2.591 -0.398 -9.793 1.00 10.00 N ATOM 262 CA LYS A 17 -3.555 -1.393 -9.283 1.00 10.00 C ATOM 263 C LYS A 17 -2.834 -2.669 -8.834 1.00 10.00 C ATOM 264 O LYS A 17 -2.126 -3.289 -9.627 1.00 10.00 O ATOM 265 CB LYS A 17 -4.570 -1.738 -10.396 1.00 10.00 C ATOM 266 CG LYS A 17 -5.391 -0.554 -10.942 1.00 10.00 C ATOM 267 CD LYS A 17 -6.394 0.047 -9.950 1.00 10.00 C ATOM 268 CE LYS A 17 -7.493 -0.959 -9.573 1.00 10.00 C ATOM 269 NZ LYS A 17 -8.648 -0.299 -8.915 1.00 10.00 N ATOM 0 H LYS A 17 -2.032 -0.763 -10.564 1.00 10.00 H new ATOM 0 HA LYS A 17 -4.074 -0.968 -8.424 1.00 10.00 H new ATOM 0 HB2 LYS A 17 -4.030 -2.195 -11.225 1.00 10.00 H new ATOM 0 HB3 LYS A 17 -5.261 -2.489 -10.012 1.00 10.00 H new ATOM 0 HG2 LYS A 17 -4.704 0.229 -11.261 1.00 10.00 H new ATOM 0 HG3 LYS A 17 -5.932 -0.884 -11.829 1.00 10.00 H new ATOM 0 HD2 LYS A 17 -5.869 0.366 -9.050 1.00 10.00 H new ATOM 0 HD3 LYS A 17 -6.849 0.936 -10.386 1.00 10.00 H new ATOM 0 HE2 LYS A 17 -7.834 -1.477 -10.470 1.00 10.00 H new ATOM 0 HE3 LYS A 17 -7.079 -1.715 -8.906 1.00 10.00 H new ATOM 0 HZ1 LYS A 17 -9.269 -1.021 -8.497 1.00 10.00 H new ATOM 0 HZ2 LYS A 17 -8.305 0.337 -8.167 1.00 10.00 H new ATOM 0 HZ3 LYS A 17 -9.181 0.250 -9.619 1.00 10.00 H new ATOM 283 N ILE A 18 -3.040 -3.063 -7.577 1.00 10.00 N ATOM 284 CA ILE A 18 -2.348 -4.159 -6.872 1.00 10.00 C ATOM 285 C ILE A 18 -3.380 -5.097 -6.230 1.00 10.00 C ATOM 286 O ILE A 18 -4.448 -4.641 -5.833 1.00 10.00 O ATOM 287 CB ILE A 18 -1.420 -3.544 -5.792 1.00 10.00 C ATOM 288 CG1 ILE A 18 -0.328 -2.635 -6.393 1.00 10.00 C ATOM 289 CG2 ILE A 18 -0.760 -4.595 -4.881 1.00 10.00 C ATOM 290 CD1 ILE A 18 0.565 -3.281 -7.460 1.00 10.00 C ATOM 0 H ILE A 18 -3.732 -2.604 -6.984 1.00 10.00 H new ATOM 0 HA ILE A 18 -1.750 -4.741 -7.573 1.00 10.00 H new ATOM 0 HB ILE A 18 -2.087 -2.937 -5.180 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -0.810 -1.760 -6.830 1.00 10.00 H new ATOM 0 HG13 ILE A 18 0.307 -2.277 -5.583 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -0.125 -4.095 -4.150 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -1.532 -5.164 -4.363 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -0.155 -5.271 -5.485 1.00 10.00 H new ATOM 0 HD11 ILE A 18 1.296 -2.553 -7.812 1.00 10.00 H new ATOM 0 HD12 ILE A 18 1.084 -4.137 -7.030 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -0.050 -3.612 -8.297 1.00 10.00 H new ATOM 302 N ASP A 19 -3.070 -6.386 -6.078 1.00 10.00 N ATOM 303 CA ASP A 19 -3.933 -7.362 -5.398 1.00 10.00 C ATOM 304 C ASP A 19 -3.136 -8.327 -4.500 1.00 10.00 C ATOM 305 O ASP A 19 -2.092 -8.849 -4.900 1.00 10.00 O ATOM 306 CB ASP A 19 -4.812 -8.117 -6.409 1.00 10.00 C ATOM 307 CG ASP A 19 -4.032 -9.061 -7.343 1.00 10.00 C ATOM 308 OD1 ASP A 19 -3.400 -8.578 -8.315 1.00 10.00 O ATOM 309 OD2 ASP A 19 -4.088 -10.297 -7.140 1.00 10.00 O ATOM 0 H ASP A 19 -2.201 -6.790 -6.428 1.00 10.00 H new ATOM 0 HA ASP A 19 -4.592 -6.802 -4.734 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -5.557 -8.697 -5.864 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -5.354 -7.391 -7.015 1.00 10.00 H new ATOM 314 N ILE A 20 -3.622 -8.521 -3.267 1.00 10.00 N ATOM 315 CA ILE A 20 -3.016 -9.341 -2.197 1.00 10.00 C ATOM 316 C ILE A 20 -4.103 -10.024 -1.333 1.00 10.00 C ATOM 317 O ILE A 20 -5.293 -9.717 -1.442 1.00 10.00 O ATOM 318 CB ILE A 20 -2.021 -8.529 -1.311 1.00 10.00 C ATOM 319 CG1 ILE A 20 -2.675 -7.560 -0.297 1.00 10.00 C ATOM 320 CG2 ILE A 20 -0.912 -7.805 -2.111 1.00 10.00 C ATOM 321 CD1 ILE A 20 -3.758 -6.620 -0.847 1.00 10.00 C ATOM 0 H ILE A 20 -4.496 -8.089 -2.968 1.00 10.00 H new ATOM 0 HA ILE A 20 -2.433 -10.119 -2.691 1.00 10.00 H new ATOM 0 HB ILE A 20 -1.550 -9.316 -0.722 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -3.113 -8.152 0.507 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -1.889 -6.951 0.148 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -0.262 -7.264 -1.424 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -0.325 -8.538 -2.664 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -1.367 -7.103 -2.810 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -4.138 -5.992 -0.041 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -3.331 -5.990 -1.627 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -4.575 -7.210 -1.263 1.00 10.00 H new ATOM 333 N ASP A 21 -3.712 -10.948 -0.454 1.00 10.00 N ATOM 334 CA ASP A 21 -4.587 -11.572 0.552 1.00 10.00 C ATOM 335 C ASP A 21 -5.095 -10.539 1.596 1.00 10.00 C ATOM 336 O ASP A 21 -4.272 -9.878 2.237 1.00 10.00 O ATOM 337 CB ASP A 21 -3.802 -12.676 1.279 1.00 10.00 C ATOM 338 CG ASP A 21 -3.460 -13.896 0.404 1.00 10.00 C ATOM 339 OD1 ASP A 21 -2.607 -13.774 -0.512 1.00 10.00 O ATOM 340 OD2 ASP A 21 -3.990 -15.000 0.668 1.00 10.00 O ATOM 0 H ASP A 21 -2.754 -11.295 -0.417 1.00 10.00 H new ATOM 0 HA ASP A 21 -5.455 -11.985 0.038 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -2.876 -12.251 1.666 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -4.383 -13.012 2.138 1.00 10.00 H new ATOM 345 N PRO A 22 -6.418 -10.405 1.848 1.00 10.00 N ATOM 346 CA PRO A 22 -6.968 -9.424 2.800 1.00 10.00 C ATOM 347 C PRO A 22 -6.670 -9.750 4.276 1.00 10.00 C ATOM 348 O PRO A 22 -6.729 -8.871 5.137 1.00 10.00 O ATOM 349 CB PRO A 22 -8.480 -9.415 2.533 1.00 10.00 C ATOM 350 CG PRO A 22 -8.759 -10.824 2.018 1.00 10.00 C ATOM 351 CD PRO A 22 -7.502 -11.135 1.208 1.00 10.00 C ATOM 0 HA PRO A 22 -6.501 -8.451 2.646 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -9.046 -9.199 3.439 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -8.753 -8.658 1.798 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -8.902 -11.533 2.833 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -9.658 -10.860 1.402 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -7.299 -12.206 1.200 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -7.621 -10.825 0.170 1.00 10.00 H new ATOM 359 N GLU A 23 -6.348 -11.008 4.577 1.00 10.00 N ATOM 360 CA GLU A 23 -5.971 -11.487 5.913 1.00 10.00 C ATOM 361 C GLU A 23 -4.506 -11.191 6.296 1.00 10.00 C ATOM 362 O GLU A 23 -4.135 -11.364 7.459 1.00 10.00 O ATOM 363 CB GLU A 23 -6.227 -13.004 6.000 1.00 10.00 C ATOM 364 CG GLU A 23 -7.685 -13.417 5.737 1.00 10.00 C ATOM 365 CD GLU A 23 -8.693 -12.711 6.666 1.00 10.00 C ATOM 366 OE1 GLU A 23 -8.401 -12.532 7.873 1.00 10.00 O ATOM 367 OE2 GLU A 23 -9.791 -12.329 6.199 1.00 10.00 O ATOM 0 H GLU A 23 -6.341 -11.749 3.876 1.00 10.00 H new ATOM 0 HA GLU A 23 -6.590 -10.939 6.624 1.00 10.00 H new ATOM 0 HB2 GLU A 23 -5.583 -13.511 5.281 1.00 10.00 H new ATOM 0 HB3 GLU A 23 -5.936 -13.353 6.991 1.00 10.00 H new ATOM 0 HG2 GLU A 23 -7.938 -13.194 4.701 1.00 10.00 H new ATOM 0 HG3 GLU A 23 -7.779 -14.496 5.863 1.00 10.00 H new ATOM 374 N GLU A 24 -3.661 -10.749 5.356 1.00 10.00 N ATOM 375 CA GLU A 24 -2.256 -10.412 5.641 1.00 10.00 C ATOM 376 C GLU A 24 -2.111 -8.973 6.162 1.00 10.00 C ATOM 377 O GLU A 24 -3.025 -8.156 6.040 1.00 10.00 O ATOM 378 CB GLU A 24 -1.396 -10.614 4.383 1.00 10.00 C ATOM 379 CG GLU A 24 -1.261 -12.082 3.960 1.00 10.00 C ATOM 380 CD GLU A 24 -0.461 -12.917 4.983 1.00 10.00 C ATOM 381 OE1 GLU A 24 0.771 -12.715 5.108 1.00 10.00 O ATOM 382 OE2 GLU A 24 -1.056 -13.784 5.668 1.00 10.00 O ATOM 0 H GLU A 24 -3.928 -10.615 4.381 1.00 10.00 H new ATOM 0 HA GLU A 24 -1.906 -11.083 6.425 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -1.831 -10.046 3.561 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -0.402 -10.204 4.563 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -2.254 -12.515 3.838 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -0.769 -12.134 2.989 1.00 10.00 H new ATOM 389 N THR A 25 -0.956 -8.646 6.747 1.00 10.00 N ATOM 390 CA THR A 25 -0.651 -7.280 7.221 1.00 10.00 C ATOM 391 C THR A 25 -0.371 -6.321 6.063 1.00 10.00 C ATOM 392 O THR A 25 -0.153 -6.738 4.925 1.00 10.00 O ATOM 393 CB THR A 25 0.523 -7.243 8.215 1.00 10.00 C ATOM 394 OG1 THR A 25 1.728 -7.648 7.600 1.00 10.00 O ATOM 395 CG2 THR A 25 0.295 -8.116 9.445 1.00 10.00 C ATOM 0 H THR A 25 -0.203 -9.314 6.908 1.00 10.00 H new ATOM 0 HA THR A 25 -1.548 -6.949 7.745 1.00 10.00 H new ATOM 0 HB THR A 25 0.593 -6.204 8.539 1.00 10.00 H new ATOM 0 HG1 THR A 25 1.604 -7.684 6.629 1.00 10.00 H new ATOM 0 HG21 THR A 25 1.159 -8.046 10.106 1.00 10.00 H new ATOM 0 HG22 THR A 25 -0.595 -7.775 9.974 1.00 10.00 H new ATOM 0 HG23 THR A 25 0.158 -9.152 9.135 1.00 10.00 H new ATOM 403 N VAL A 26 -0.307 -5.019 6.360 1.00 10.00 N ATOM 404 CA VAL A 26 0.101 -3.956 5.410 1.00 10.00 C ATOM 405 C VAL A 26 1.409 -4.264 4.671 1.00 10.00 C ATOM 406 O VAL A 26 1.569 -3.876 3.511 1.00 10.00 O ATOM 407 CB VAL A 26 0.192 -2.596 6.132 1.00 10.00 C ATOM 408 CG1 VAL A 26 0.623 -1.435 5.233 1.00 10.00 C ATOM 409 CG2 VAL A 26 -1.183 -2.236 6.689 1.00 10.00 C ATOM 0 H VAL A 26 -0.541 -4.658 7.285 1.00 10.00 H new ATOM 0 HA VAL A 26 -0.675 -3.912 4.646 1.00 10.00 H new ATOM 0 HB VAL A 26 0.950 -2.722 6.905 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.662 -0.516 5.818 1.00 10.00 H new ATOM 0 HG12 VAL A 26 1.609 -1.643 4.818 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -0.095 -1.318 4.421 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.128 -1.275 7.201 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.901 -2.171 5.871 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.503 -3.005 7.392 1.00 10.00 H new ATOM 419 N LYS A 27 2.323 -5.027 5.290 1.00 10.00 N ATOM 420 CA LYS A 27 3.557 -5.510 4.653 1.00 10.00 C ATOM 421 C LYS A 27 3.299 -6.278 3.350 1.00 10.00 C ATOM 422 O LYS A 27 4.110 -6.175 2.443 1.00 10.00 O ATOM 423 CB LYS A 27 4.386 -6.347 5.643 1.00 10.00 C ATOM 424 CG LYS A 27 4.750 -5.550 6.908 1.00 10.00 C ATOM 425 CD LYS A 27 5.805 -6.237 7.789 1.00 10.00 C ATOM 426 CE LYS A 27 5.445 -7.649 8.277 1.00 10.00 C ATOM 427 NZ LYS A 27 4.189 -7.674 9.068 1.00 10.00 N ATOM 0 H LYS A 27 2.224 -5.329 6.259 1.00 10.00 H new ATOM 0 HA LYS A 27 4.134 -4.629 4.373 1.00 10.00 H new ATOM 0 HB2 LYS A 27 3.824 -7.237 5.925 1.00 10.00 H new ATOM 0 HB3 LYS A 27 5.299 -6.688 5.154 1.00 10.00 H new ATOM 0 HG2 LYS A 27 5.119 -4.567 6.614 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.847 -5.388 7.497 1.00 10.00 H new ATOM 0 HD2 LYS A 27 6.739 -6.292 7.230 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.991 -5.608 8.659 1.00 10.00 H new ATOM 0 HE2 LYS A 27 5.343 -8.312 7.418 1.00 10.00 H new ATOM 0 HE3 LYS A 27 6.261 -8.039 8.885 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 4.228 -8.453 9.756 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 4.078 -6.771 9.572 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 3.380 -7.816 8.430 1.00 10.00 H new ATOM 441 N ALA A 28 2.164 -6.957 3.176 1.00 10.00 N ATOM 442 CA ALA A 28 1.834 -7.629 1.914 1.00 10.00 C ATOM 443 C ALA A 28 1.705 -6.660 0.717 1.00 10.00 C ATOM 444 O ALA A 28 2.257 -6.930 -0.350 1.00 10.00 O ATOM 445 CB ALA A 28 0.548 -8.436 2.117 1.00 10.00 C ATOM 0 H ALA A 28 1.451 -7.058 3.899 1.00 10.00 H new ATOM 0 HA ALA A 28 2.661 -8.290 1.656 1.00 10.00 H new ATOM 0 HB1 ALA A 28 0.286 -8.943 1.188 1.00 10.00 H new ATOM 0 HB2 ALA A 28 0.702 -9.175 2.903 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -0.261 -7.765 2.404 1.00 10.00 H new ATOM 451 N LEU A 29 1.040 -5.510 0.898 1.00 10.00 N ATOM 452 CA LEU A 29 1.037 -4.416 -0.086 1.00 10.00 C ATOM 453 C LEU A 29 2.414 -3.751 -0.174 1.00 10.00 C ATOM 454 O LEU A 29 2.892 -3.441 -1.263 1.00 10.00 O ATOM 455 CB LEU A 29 0.018 -3.323 0.315 1.00 10.00 C ATOM 456 CG LEU A 29 -1.468 -3.624 0.071 1.00 10.00 C ATOM 457 CD1 LEU A 29 -2.311 -2.449 0.570 1.00 10.00 C ATOM 458 CD2 LEU A 29 -1.771 -3.802 -1.419 1.00 10.00 C ATOM 0 H LEU A 29 0.488 -5.311 1.732 1.00 10.00 H new ATOM 0 HA LEU A 29 0.769 -4.855 -1.047 1.00 10.00 H new ATOM 0 HB2 LEU A 29 0.150 -3.112 1.376 1.00 10.00 H new ATOM 0 HB3 LEU A 29 0.271 -2.411 -0.226 1.00 10.00 H new ATOM 0 HG LEU A 29 -1.706 -4.546 0.602 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -3.367 -2.660 0.398 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -2.139 -2.305 1.637 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -2.029 -1.544 0.031 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -2.832 -4.014 -1.552 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -1.513 -2.888 -1.954 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.184 -4.631 -1.813 1.00 10.00 H new ATOM 470 N LYS A 30 3.042 -3.466 0.970 1.00 10.00 N ATOM 471 CA LYS A 30 4.205 -2.579 1.029 1.00 10.00 C ATOM 472 C LYS A 30 5.535 -3.235 0.641 1.00 10.00 C ATOM 473 O LYS A 30 6.399 -2.571 0.071 1.00 10.00 O ATOM 474 CB LYS A 30 4.174 -1.888 2.410 1.00 10.00 C ATOM 475 CG LYS A 30 5.293 -0.865 2.648 1.00 10.00 C ATOM 476 CD LYS A 30 6.523 -1.491 3.321 1.00 10.00 C ATOM 477 CE LYS A 30 6.486 -1.394 4.855 1.00 10.00 C ATOM 478 NZ LYS A 30 7.105 -0.135 5.352 1.00 10.00 N ATOM 0 H LYS A 30 2.760 -3.841 1.876 1.00 10.00 H new ATOM 0 HA LYS A 30 4.136 -1.819 0.251 1.00 10.00 H new ATOM 0 HB2 LYS A 30 3.213 -1.387 2.527 1.00 10.00 H new ATOM 0 HB3 LYS A 30 4.231 -2.653 3.184 1.00 10.00 H new ATOM 0 HG2 LYS A 30 5.588 -0.425 1.696 1.00 10.00 H new ATOM 0 HG3 LYS A 30 4.914 -0.054 3.271 1.00 10.00 H new ATOM 0 HD2 LYS A 30 6.594 -2.539 3.031 1.00 10.00 H new ATOM 0 HD3 LYS A 30 7.422 -0.996 2.953 1.00 10.00 H new ATOM 0 HE2 LYS A 30 5.452 -1.448 5.196 1.00 10.00 H new ATOM 0 HE3 LYS A 30 7.009 -2.249 5.284 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 7.058 -0.112 6.391 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 8.099 -0.094 5.049 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 6.591 0.681 4.964 1.00 10.00 H new ATOM 492 N GLU A 31 5.694 -4.535 0.873 1.00 10.00 N ATOM 493 CA GLU A 31 6.821 -5.317 0.360 1.00 10.00 C ATOM 494 C GLU A 31 6.747 -5.478 -1.163 1.00 10.00 C ATOM 495 O GLU A 31 7.770 -5.342 -1.840 1.00 10.00 O ATOM 496 CB GLU A 31 6.860 -6.719 1.000 1.00 10.00 C ATOM 497 CG GLU A 31 7.290 -6.693 2.473 1.00 10.00 C ATOM 498 CD GLU A 31 7.366 -8.122 3.052 1.00 10.00 C ATOM 499 OE1 GLU A 31 6.327 -8.676 3.482 1.00 10.00 O ATOM 500 OE2 GLU A 31 8.479 -8.705 3.083 1.00 10.00 O ATOM 0 H GLU A 31 5.038 -5.084 1.429 1.00 10.00 H new ATOM 0 HA GLU A 31 7.726 -4.768 0.620 1.00 10.00 H new ATOM 0 HB2 GLU A 31 5.873 -7.175 0.923 1.00 10.00 H new ATOM 0 HB3 GLU A 31 7.548 -7.350 0.437 1.00 10.00 H new ATOM 0 HG2 GLU A 31 8.262 -6.208 2.563 1.00 10.00 H new ATOM 0 HG3 GLU A 31 6.582 -6.099 3.052 1.00 10.00 H new ATOM 507 N LYS A 32 5.557 -5.762 -1.727 1.00 10.00 N ATOM 508 CA LYS A 32 5.448 -6.203 -3.122 1.00 10.00 C ATOM 509 C LYS A 32 5.800 -5.115 -4.147 1.00 10.00 C ATOM 510 O LYS A 32 6.390 -5.425 -5.180 1.00 10.00 O ATOM 511 CB LYS A 32 4.060 -6.834 -3.330 1.00 10.00 C ATOM 512 CG LYS A 32 2.926 -5.833 -3.624 1.00 10.00 C ATOM 513 CD LYS A 32 2.689 -5.584 -5.127 1.00 10.00 C ATOM 514 CE LYS A 32 2.207 -6.863 -5.840 1.00 10.00 C ATOM 515 NZ LYS A 32 2.004 -6.660 -7.295 1.00 10.00 N ATOM 0 H LYS A 32 4.665 -5.693 -1.237 1.00 10.00 H new ATOM 0 HA LYS A 32 6.207 -6.963 -3.310 1.00 10.00 H new ATOM 0 HB2 LYS A 32 4.120 -7.544 -4.155 1.00 10.00 H new ATOM 0 HB3 LYS A 32 3.799 -7.403 -2.438 1.00 10.00 H new ATOM 0 HG2 LYS A 32 2.003 -6.202 -3.177 1.00 10.00 H new ATOM 0 HG3 LYS A 32 3.157 -4.884 -3.140 1.00 10.00 H new ATOM 0 HD2 LYS A 32 1.949 -4.794 -5.254 1.00 10.00 H new ATOM 0 HD3 LYS A 32 3.612 -5.234 -5.589 1.00 10.00 H new ATOM 0 HE2 LYS A 32 2.937 -7.658 -5.686 1.00 10.00 H new ATOM 0 HE3 LYS A 32 1.272 -7.196 -5.389 1.00 10.00 H new ATOM 0 HZ1 LYS A 32 2.312 -7.509 -7.810 1.00 10.00 H new ATOM 0 HZ2 LYS A 32 0.996 -6.487 -7.484 1.00 10.00 H new ATOM 0 HZ3 LYS A 32 2.561 -5.841 -7.612 1.00 10.00 H new ATOM 529 N ILE A 33 5.452 -3.848 -3.881 1.00 10.00 N ATOM 530 CA ILE A 33 5.606 -2.760 -4.865 1.00 10.00 C ATOM 531 C ILE A 33 7.075 -2.349 -5.066 1.00 10.00 C ATOM 532 O ILE A 33 7.427 -1.850 -6.134 1.00 10.00 O ATOM 533 CB ILE A 33 4.701 -1.547 -4.559 1.00 10.00 C ATOM 534 CG1 ILE A 33 5.087 -0.719 -3.315 1.00 10.00 C ATOM 535 CG2 ILE A 33 3.237 -1.995 -4.465 1.00 10.00 C ATOM 536 CD1 ILE A 33 6.001 0.457 -3.680 1.00 10.00 C ATOM 0 H ILE A 33 5.060 -3.548 -2.989 1.00 10.00 H new ATOM 0 HA ILE A 33 5.264 -3.168 -5.816 1.00 10.00 H new ATOM 0 HB ILE A 33 4.849 -0.868 -5.399 1.00 10.00 H new ATOM 0 HG12 ILE A 33 4.184 -0.343 -2.833 1.00 10.00 H new ATOM 0 HG13 ILE A 33 5.590 -1.361 -2.592 1.00 10.00 H new ATOM 0 HG21 ILE A 33 2.606 -1.133 -4.249 1.00 10.00 H new ATOM 0 HG22 ILE A 33 2.931 -2.440 -5.412 1.00 10.00 H new ATOM 0 HG23 ILE A 33 3.132 -2.731 -3.667 1.00 10.00 H new ATOM 0 HD11 ILE A 33 6.251 1.017 -2.779 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.915 0.079 -4.138 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.487 1.113 -4.383 1.00 10.00 H new ATOM 548 N GLU A 34 7.955 -2.610 -4.090 1.00 10.00 N ATOM 549 CA GLU A 34 9.412 -2.430 -4.240 1.00 10.00 C ATOM 550 C GLU A 34 9.972 -3.250 -5.418 1.00 10.00 C ATOM 551 O GLU A 34 10.870 -2.783 -6.117 1.00 10.00 O ATOM 552 CB GLU A 34 10.130 -2.816 -2.932 1.00 10.00 C ATOM 553 CG GLU A 34 11.639 -2.526 -2.945 1.00 10.00 C ATOM 554 CD GLU A 34 12.327 -3.065 -1.681 1.00 10.00 C ATOM 555 OE1 GLU A 34 12.614 -4.283 -1.610 1.00 10.00 O ATOM 556 OE2 GLU A 34 12.654 -2.273 -0.768 1.00 10.00 O ATOM 0 H GLU A 34 7.679 -2.953 -3.170 1.00 10.00 H new ATOM 0 HA GLU A 34 9.596 -1.378 -4.456 1.00 10.00 H new ATOM 0 HB2 GLU A 34 9.672 -2.275 -2.104 1.00 10.00 H new ATOM 0 HB3 GLU A 34 9.975 -3.878 -2.743 1.00 10.00 H new ATOM 0 HG2 GLU A 34 12.090 -2.980 -3.828 1.00 10.00 H new ATOM 0 HG3 GLU A 34 11.803 -1.451 -3.020 1.00 10.00 H new ATOM 563 N SER A 35 9.417 -4.435 -5.700 1.00 10.00 N ATOM 564 CA SER A 35 9.828 -5.263 -6.848 1.00 10.00 C ATOM 565 C SER A 35 9.468 -4.643 -8.208 1.00 10.00 C ATOM 566 O SER A 35 10.080 -4.981 -9.224 1.00 10.00 O ATOM 567 CB SER A 35 9.197 -6.659 -6.759 1.00 10.00 C ATOM 568 OG SER A 35 9.565 -7.304 -5.547 1.00 10.00 O ATOM 0 H SER A 35 8.671 -4.849 -5.141 1.00 10.00 H new ATOM 0 HA SER A 35 10.915 -5.328 -6.792 1.00 10.00 H new ATOM 0 HB2 SER A 35 8.112 -6.577 -6.817 1.00 10.00 H new ATOM 0 HB3 SER A 35 9.517 -7.262 -7.609 1.00 10.00 H new ATOM 0 HG SER A 35 9.151 -8.191 -5.510 1.00 10.00 H new ATOM 574 N GLU A 36 8.479 -3.743 -8.247 1.00 10.00 N ATOM 575 CA GLU A 36 7.979 -3.085 -9.465 1.00 10.00 C ATOM 576 C GLU A 36 8.509 -1.653 -9.664 1.00 10.00 C ATOM 577 O GLU A 36 8.752 -1.244 -10.804 1.00 10.00 O ATOM 578 CB GLU A 36 6.445 -3.079 -9.433 1.00 10.00 C ATOM 579 CG GLU A 36 5.884 -4.501 -9.591 1.00 10.00 C ATOM 580 CD GLU A 36 4.347 -4.514 -9.602 1.00 10.00 C ATOM 581 OE1 GLU A 36 3.734 -4.074 -10.604 1.00 10.00 O ATOM 582 OE2 GLU A 36 3.744 -5.003 -8.616 1.00 10.00 O ATOM 0 H GLU A 36 7.987 -3.441 -7.406 1.00 10.00 H new ATOM 0 HA GLU A 36 8.352 -3.659 -10.313 1.00 10.00 H new ATOM 0 HB2 GLU A 36 6.099 -2.651 -8.492 1.00 10.00 H new ATOM 0 HB3 GLU A 36 6.064 -2.443 -10.232 1.00 10.00 H new ATOM 0 HG2 GLU A 36 6.257 -4.937 -10.518 1.00 10.00 H new ATOM 0 HG3 GLU A 36 6.246 -5.127 -8.775 1.00 10.00 H new ATOM 589 N LYS A 37 8.727 -0.902 -8.575 1.00 10.00 N ATOM 590 CA LYS A 37 9.228 0.487 -8.600 1.00 10.00 C ATOM 591 C LYS A 37 10.732 0.593 -8.314 1.00 10.00 C ATOM 592 O LYS A 37 11.363 1.580 -8.694 1.00 10.00 O ATOM 593 CB LYS A 37 8.460 1.317 -7.558 1.00 10.00 C ATOM 594 CG LYS A 37 6.945 1.464 -7.789 1.00 10.00 C ATOM 595 CD LYS A 37 6.557 2.162 -9.102 1.00 10.00 C ATOM 596 CE LYS A 37 7.139 3.578 -9.216 1.00 10.00 C ATOM 597 NZ LYS A 37 6.794 4.219 -10.513 1.00 10.00 N ATOM 0 H LYS A 37 8.557 -1.247 -7.630 1.00 10.00 H new ATOM 0 HA LYS A 37 9.066 0.867 -9.609 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.615 0.865 -6.578 1.00 10.00 H new ATOM 0 HB3 LYS A 37 8.900 2.314 -7.522 1.00 10.00 H new ATOM 0 HG2 LYS A 37 6.492 0.473 -7.773 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.518 2.023 -6.957 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.904 1.562 -9.944 1.00 10.00 H new ATOM 0 HD3 LYS A 37 5.471 2.213 -9.174 1.00 10.00 H new ATOM 0 HE2 LYS A 37 6.763 4.191 -8.397 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.223 3.534 -9.110 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 7.434 5.020 -10.685 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 6.894 3.525 -11.281 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 5.812 4.561 -10.481 1.00 10.00 H new ATOM 611 N GLY A 38 11.302 -0.421 -7.665 1.00 10.00 N ATOM 612 CA GLY A 38 12.709 -0.519 -7.274 1.00 10.00 C ATOM 613 C GLY A 38 13.002 0.028 -5.872 1.00 10.00 C ATOM 614 O GLY A 38 12.410 1.019 -5.429 1.00 10.00 O ATOM 0 H GLY A 38 10.766 -1.241 -7.382 1.00 10.00 H new ATOM 0 HA2 GLY A 38 13.016 -1.564 -7.318 1.00 10.00 H new ATOM 0 HA3 GLY A 38 13.316 0.023 -7.999 1.00 10.00 H new ATOM 618 N LYS A 39 13.995 -0.578 -5.207 1.00 10.00 N ATOM 619 CA LYS A 39 14.629 -0.139 -3.952 1.00 10.00 C ATOM 620 C LYS A 39 15.010 1.348 -3.943 1.00 10.00 C ATOM 621 O LYS A 39 14.908 2.007 -2.914 1.00 10.00 O ATOM 622 CB LYS A 39 15.877 -1.030 -3.762 1.00 10.00 C ATOM 623 CG LYS A 39 16.675 -0.800 -2.468 1.00 10.00 C ATOM 624 CD LYS A 39 15.961 -1.275 -1.196 1.00 10.00 C ATOM 625 CE LYS A 39 15.924 -2.807 -1.126 1.00 10.00 C ATOM 626 NZ LYS A 39 15.121 -3.279 0.029 1.00 10.00 N ATOM 0 H LYS A 39 14.405 -1.445 -5.553 1.00 10.00 H new ATOM 0 HA LYS A 39 13.919 -0.246 -3.132 1.00 10.00 H new ATOM 0 HB2 LYS A 39 15.563 -2.073 -3.792 1.00 10.00 H new ATOM 0 HB3 LYS A 39 16.544 -0.874 -4.610 1.00 10.00 H new ATOM 0 HG2 LYS A 39 17.632 -1.316 -2.548 1.00 10.00 H new ATOM 0 HG3 LYS A 39 16.893 0.264 -2.373 1.00 10.00 H new ATOM 0 HD2 LYS A 39 16.472 -0.880 -0.318 1.00 10.00 H new ATOM 0 HD3 LYS A 39 14.945 -0.882 -1.177 1.00 10.00 H new ATOM 0 HE2 LYS A 39 15.503 -3.204 -2.050 1.00 10.00 H new ATOM 0 HE3 LYS A 39 16.940 -3.193 -1.046 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 14.989 -4.308 -0.038 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.618 -3.050 0.914 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.193 -2.809 0.022 1.00 10.00 H new ATOM 640 N ASP A 40 15.434 1.879 -5.091 1.00 10.00 N ATOM 641 CA ASP A 40 15.857 3.278 -5.243 1.00 10.00 C ATOM 642 C ASP A 40 14.708 4.292 -5.070 1.00 10.00 C ATOM 643 O ASP A 40 14.917 5.389 -4.545 1.00 10.00 O ATOM 644 CB ASP A 40 16.515 3.441 -6.621 1.00 10.00 C ATOM 645 CG ASP A 40 17.095 4.853 -6.827 1.00 10.00 C ATOM 646 OD1 ASP A 40 18.124 5.182 -6.192 1.00 10.00 O ATOM 647 OD2 ASP A 40 16.533 5.626 -7.639 1.00 10.00 O ATOM 0 H ASP A 40 15.495 1.343 -5.957 1.00 10.00 H new ATOM 0 HA ASP A 40 16.565 3.499 -4.444 1.00 10.00 H new ATOM 0 HB2 ASP A 40 17.310 2.704 -6.731 1.00 10.00 H new ATOM 0 HB3 ASP A 40 15.780 3.235 -7.399 1.00 10.00 H new ATOM 652 N ALA A 41 13.484 3.921 -5.466 1.00 10.00 N ATOM 653 CA ALA A 41 12.316 4.808 -5.468 1.00 10.00 C ATOM 654 C ALA A 41 11.355 4.546 -4.294 1.00 10.00 C ATOM 655 O ALA A 41 10.786 5.496 -3.757 1.00 10.00 O ATOM 656 CB ALA A 41 11.599 4.646 -6.814 1.00 10.00 C ATOM 0 H ALA A 41 13.275 2.980 -5.799 1.00 10.00 H new ATOM 0 HA ALA A 41 12.660 5.834 -5.335 1.00 10.00 H new ATOM 0 HB1 ALA A 41 10.725 5.296 -6.841 1.00 10.00 H new ATOM 0 HB2 ALA A 41 12.278 4.917 -7.623 1.00 10.00 H new ATOM 0 HB3 ALA A 41 11.284 3.610 -6.936 1.00 10.00 H new ATOM 662 N PHE A 42 11.201 3.286 -3.874 1.00 10.00 N ATOM 663 CA PHE A 42 10.273 2.853 -2.820 1.00 10.00 C ATOM 664 C PHE A 42 10.912 1.774 -1.912 1.00 10.00 C ATOM 665 O PHE A 42 10.473 0.620 -1.917 1.00 10.00 O ATOM 666 CB PHE A 42 8.946 2.390 -3.455 1.00 10.00 C ATOM 667 CG PHE A 42 8.035 3.514 -3.919 1.00 10.00 C ATOM 668 CD1 PHE A 42 8.148 4.032 -5.222 1.00 10.00 C ATOM 669 CD2 PHE A 42 7.081 4.052 -3.036 1.00 10.00 C ATOM 670 CE1 PHE A 42 7.342 5.110 -5.629 1.00 10.00 C ATOM 671 CE2 PHE A 42 6.266 5.125 -3.445 1.00 10.00 C ATOM 672 CZ PHE A 42 6.404 5.661 -4.735 1.00 10.00 C ATOM 0 H PHE A 42 11.736 2.513 -4.270 1.00 10.00 H new ATOM 0 HA PHE A 42 10.052 3.698 -2.168 1.00 10.00 H new ATOM 0 HB2 PHE A 42 9.172 1.749 -4.307 1.00 10.00 H new ATOM 0 HB3 PHE A 42 8.407 1.780 -2.731 1.00 10.00 H new ATOM 0 HD1 PHE A 42 8.857 3.600 -5.913 1.00 10.00 H new ATOM 0 HD2 PHE A 42 6.974 3.641 -2.043 1.00 10.00 H new ATOM 0 HE1 PHE A 42 7.442 5.515 -6.625 1.00 10.00 H new ATOM 0 HE2 PHE A 42 5.534 5.536 -2.766 1.00 10.00 H new ATOM 0 HZ PHE A 42 5.791 6.496 -5.042 1.00 10.00 H new ATOM 682 N PRO A 43 11.958 2.114 -1.130 1.00 10.00 N ATOM 683 CA PRO A 43 12.595 1.171 -0.209 1.00 10.00 C ATOM 684 C PRO A 43 11.627 0.747 0.903 1.00 10.00 C ATOM 685 O PRO A 43 11.041 1.595 1.574 1.00 10.00 O ATOM 686 CB PRO A 43 13.824 1.893 0.351 1.00 10.00 C ATOM 687 CG PRO A 43 13.438 3.363 0.249 1.00 10.00 C ATOM 688 CD PRO A 43 12.556 3.434 -0.995 1.00 10.00 C ATOM 0 HA PRO A 43 12.884 0.250 -0.715 1.00 10.00 H new ATOM 0 HB2 PRO A 43 14.029 1.601 1.381 1.00 10.00 H new ATOM 0 HB3 PRO A 43 14.721 1.671 -0.228 1.00 10.00 H new ATOM 0 HG2 PRO A 43 12.901 3.696 1.137 1.00 10.00 H new ATOM 0 HG3 PRO A 43 14.317 4.000 0.150 1.00 10.00 H new ATOM 0 HD2 PRO A 43 11.790 4.202 -0.888 1.00 10.00 H new ATOM 0 HD3 PRO A 43 13.143 3.690 -1.877 1.00 10.00 H new ATOM 696 N VAL A 44 11.466 -0.559 1.127 1.00 10.00 N ATOM 697 CA VAL A 44 10.528 -1.143 2.110 1.00 10.00 C ATOM 698 C VAL A 44 10.687 -0.567 3.525 1.00 10.00 C ATOM 699 O VAL A 44 9.702 -0.222 4.180 1.00 10.00 O ATOM 700 CB VAL A 44 10.652 -2.680 2.097 1.00 10.00 C ATOM 701 CG1 VAL A 44 11.941 -3.230 2.723 1.00 10.00 C ATOM 702 CG2 VAL A 44 9.449 -3.336 2.775 1.00 10.00 C ATOM 0 H VAL A 44 11.996 -1.267 0.619 1.00 10.00 H new ATOM 0 HA VAL A 44 9.520 -0.863 1.804 1.00 10.00 H new ATOM 0 HB VAL A 44 10.686 -2.938 1.038 1.00 10.00 H new ATOM 0 HG11 VAL A 44 11.937 -4.319 2.667 1.00 10.00 H new ATOM 0 HG12 VAL A 44 12.803 -2.842 2.181 1.00 10.00 H new ATOM 0 HG13 VAL A 44 12.000 -2.920 3.766 1.00 10.00 H new ATOM 0 HG21 VAL A 44 9.564 -4.420 2.751 1.00 10.00 H new ATOM 0 HG22 VAL A 44 9.387 -3.001 3.810 1.00 10.00 H new ATOM 0 HG23 VAL A 44 8.537 -3.056 2.248 1.00 10.00 H new ATOM 712 N ALA A 45 11.935 -0.398 3.961 1.00 10.00 N ATOM 713 CA ALA A 45 12.318 0.157 5.263 1.00 10.00 C ATOM 714 C ALA A 45 12.162 1.692 5.370 1.00 10.00 C ATOM 715 O ALA A 45 12.376 2.264 6.442 1.00 10.00 O ATOM 716 CB ALA A 45 13.769 -0.259 5.523 1.00 10.00 C ATOM 0 H ALA A 45 12.743 -0.655 3.394 1.00 10.00 H new ATOM 0 HA ALA A 45 11.638 -0.241 6.017 1.00 10.00 H new ATOM 0 HB1 ALA A 45 14.094 0.136 6.486 1.00 10.00 H new ATOM 0 HB2 ALA A 45 13.839 -1.347 5.534 1.00 10.00 H new ATOM 0 HB3 ALA A 45 14.408 0.138 4.734 1.00 10.00 H new ATOM 722 N GLY A 46 11.794 2.357 4.271 1.00 10.00 N ATOM 723 CA GLY A 46 11.683 3.812 4.138 1.00 10.00 C ATOM 724 C GLY A 46 10.418 4.252 3.400 1.00 10.00 C ATOM 725 O GLY A 46 10.418 5.318 2.785 1.00 10.00 O ATOM 0 H GLY A 46 11.554 1.871 3.407 1.00 10.00 H new ATOM 0 HA2 GLY A 46 11.693 4.263 5.130 1.00 10.00 H new ATOM 0 HA3 GLY A 46 12.556 4.190 3.607 1.00 10.00 H new ATOM 729 N GLN A 47 9.341 3.455 3.442 1.00 10.00 N ATOM 730 CA GLN A 47 8.034 3.849 2.892 1.00 10.00 C ATOM 731 C GLN A 47 6.844 3.564 3.828 1.00 10.00 C ATOM 732 O GLN A 47 6.887 2.660 4.670 1.00 10.00 O ATOM 733 CB GLN A 47 7.824 3.248 1.489 1.00 10.00 C ATOM 734 CG GLN A 47 7.604 1.729 1.495 1.00 10.00 C ATOM 735 CD GLN A 47 7.055 1.222 0.166 1.00 10.00 C ATOM 736 OE1 GLN A 47 5.943 1.539 -0.230 1.00 10.00 O ATOM 737 NE2 GLN A 47 7.780 0.398 -0.555 1.00 10.00 N ATOM 0 H GLN A 47 9.350 2.523 3.856 1.00 10.00 H new ATOM 0 HA GLN A 47 8.061 4.935 2.801 1.00 10.00 H new ATOM 0 HB2 GLN A 47 6.964 3.729 1.022 1.00 10.00 H new ATOM 0 HB3 GLN A 47 8.692 3.478 0.871 1.00 10.00 H new ATOM 0 HG2 GLN A 47 8.547 1.228 1.712 1.00 10.00 H new ATOM 0 HG3 GLN A 47 6.913 1.467 2.296 1.00 10.00 H new ATOM 0 HE21 GLN A 47 8.710 0.125 -0.237 1.00 10.00 H new ATOM 0 HE22 GLN A 47 7.413 0.031 -1.433 1.00 10.00 H new ATOM 746 N LYS A 48 5.764 4.328 3.634 1.00 10.00 N ATOM 747 CA LYS A 48 4.561 4.415 4.472 1.00 10.00 C ATOM 748 C LYS A 48 3.297 4.508 3.601 1.00 10.00 C ATOM 749 O LYS A 48 3.349 5.005 2.477 1.00 10.00 O ATOM 750 CB LYS A 48 4.745 5.647 5.367 1.00 10.00 C ATOM 751 CG LYS A 48 3.624 5.817 6.399 1.00 10.00 C ATOM 752 CD LYS A 48 3.871 7.050 7.267 1.00 10.00 C ATOM 753 CE LYS A 48 5.019 6.853 8.269 1.00 10.00 C ATOM 754 NZ LYS A 48 5.198 8.052 9.130 1.00 10.00 N ATOM 0 H LYS A 48 5.702 4.949 2.827 1.00 10.00 H new ATOM 0 HA LYS A 48 4.431 3.523 5.085 1.00 10.00 H new ATOM 0 HB2 LYS A 48 5.700 5.571 5.887 1.00 10.00 H new ATOM 0 HB3 LYS A 48 4.793 6.538 4.742 1.00 10.00 H new ATOM 0 HG2 LYS A 48 2.665 5.911 5.889 1.00 10.00 H new ATOM 0 HG3 LYS A 48 3.565 4.929 7.028 1.00 10.00 H new ATOM 0 HD2 LYS A 48 4.097 7.901 6.625 1.00 10.00 H new ATOM 0 HD3 LYS A 48 2.958 7.295 7.811 1.00 10.00 H new ATOM 0 HE2 LYS A 48 4.815 5.983 8.892 1.00 10.00 H new ATOM 0 HE3 LYS A 48 5.944 6.649 7.730 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 5.980 7.888 9.796 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 5.417 8.877 8.535 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.323 8.231 9.662 1.00 10.00 H new ATOM 768 N LEU A 49 2.166 4.044 4.131 1.00 10.00 N ATOM 769 CA LEU A 49 0.848 4.011 3.490 1.00 10.00 C ATOM 770 C LEU A 49 -0.201 4.794 4.308 1.00 10.00 C ATOM 771 O LEU A 49 -0.190 4.772 5.541 1.00 10.00 O ATOM 772 CB LEU A 49 0.393 2.545 3.311 1.00 10.00 C ATOM 773 CG LEU A 49 0.939 1.835 2.058 1.00 10.00 C ATOM 774 CD1 LEU A 49 2.436 1.523 2.114 1.00 10.00 C ATOM 775 CD2 LEU A 49 0.226 0.502 1.832 1.00 10.00 C ATOM 0 H LEU A 49 2.142 3.658 5.075 1.00 10.00 H new ATOM 0 HA LEU A 49 0.934 4.491 2.515 1.00 10.00 H new ATOM 0 HB2 LEU A 49 0.696 1.978 4.191 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -0.696 2.522 3.276 1.00 10.00 H new ATOM 0 HG LEU A 49 0.758 2.543 1.249 1.00 10.00 H new ATOM 0 HD11 LEU A 49 2.738 1.024 1.193 1.00 10.00 H new ATOM 0 HD12 LEU A 49 2.997 2.451 2.225 1.00 10.00 H new ATOM 0 HD13 LEU A 49 2.640 0.872 2.964 1.00 10.00 H new ATOM 0 HD21 LEU A 49 0.629 0.020 0.941 1.00 10.00 H new ATOM 0 HD22 LEU A 49 0.381 -0.144 2.696 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -0.841 0.678 1.697 1.00 10.00 H new ATOM 787 N ILE A 50 -1.160 5.404 3.607 1.00 10.00 N ATOM 788 CA ILE A 50 -2.384 6.022 4.150 1.00 10.00 C ATOM 789 C ILE A 50 -3.579 5.544 3.329 1.00 10.00 C ATOM 790 O ILE A 50 -3.557 5.645 2.104 1.00 10.00 O ATOM 791 CB ILE A 50 -2.281 7.572 4.104 1.00 10.00 C ATOM 792 CG1 ILE A 50 -1.408 8.150 5.238 1.00 10.00 C ATOM 793 CG2 ILE A 50 -3.659 8.270 4.129 1.00 10.00 C ATOM 794 CD1 ILE A 50 -1.993 7.960 6.645 1.00 10.00 C ATOM 0 H ILE A 50 -1.106 5.487 2.592 1.00 10.00 H new ATOM 0 HA ILE A 50 -2.510 5.727 5.192 1.00 10.00 H new ATOM 0 HB ILE A 50 -1.800 7.781 3.148 1.00 10.00 H new ATOM 0 HG12 ILE A 50 -0.425 7.680 5.199 1.00 10.00 H new ATOM 0 HG13 ILE A 50 -1.260 9.215 5.060 1.00 10.00 H new ATOM 0 HG21 ILE A 50 -3.520 9.351 4.095 1.00 10.00 H new ATOM 0 HG22 ILE A 50 -4.244 7.952 3.266 1.00 10.00 H new ATOM 0 HG23 ILE A 50 -4.187 8.001 5.044 1.00 10.00 H new ATOM 0 HD11 ILE A 50 -1.317 8.395 7.382 1.00 10.00 H new ATOM 0 HD12 ILE A 50 -2.963 8.454 6.706 1.00 10.00 H new ATOM 0 HD13 ILE A 50 -2.115 6.896 6.848 1.00 10.00 H new ATOM 806 N TYR A 51 -4.656 5.103 3.981 1.00 10.00 N ATOM 807 CA TYR A 51 -5.923 4.792 3.309 1.00 10.00 C ATOM 808 C TYR A 51 -6.936 5.922 3.528 1.00 10.00 C ATOM 809 O TYR A 51 -7.703 5.909 4.491 1.00 10.00 O ATOM 810 CB TYR A 51 -6.459 3.413 3.721 1.00 10.00 C ATOM 811 CG TYR A 51 -7.789 3.048 3.080 1.00 10.00 C ATOM 812 CD1 TYR A 51 -8.017 3.280 1.708 1.00 10.00 C ATOM 813 CD2 TYR A 51 -8.820 2.511 3.875 1.00 10.00 C ATOM 814 CE1 TYR A 51 -9.281 3.019 1.144 1.00 10.00 C ATOM 815 CE2 TYR A 51 -10.083 2.246 3.316 1.00 10.00 C ATOM 816 CZ TYR A 51 -10.322 2.516 1.954 1.00 10.00 C ATOM 817 OH TYR A 51 -11.548 2.261 1.426 1.00 10.00 O ATOM 0 H TYR A 51 -4.677 4.951 4.989 1.00 10.00 H new ATOM 0 HA TYR A 51 -5.742 4.729 2.236 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -5.721 2.655 3.459 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -6.571 3.387 4.805 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -7.219 3.659 1.087 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -8.640 2.302 4.919 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -9.453 3.203 0.094 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -10.870 1.835 3.931 1.00 10.00 H new ATOM 0 HH TYR A 51 -12.141 1.919 2.127 1.00 10.00 H new ATOM 827 N ALA A 52 -6.887 6.929 2.649 1.00 10.00 N ATOM 828 CA ALA A 52 -7.825 8.060 2.570 1.00 10.00 C ATOM 829 C ALA A 52 -8.075 8.813 3.906 1.00 10.00 C ATOM 830 O ALA A 52 -9.145 9.399 4.105 1.00 10.00 O ATOM 831 CB ALA A 52 -9.108 7.555 1.879 1.00 10.00 C ATOM 0 H ALA A 52 -6.158 6.982 1.938 1.00 10.00 H new ATOM 0 HA ALA A 52 -7.368 8.847 1.971 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.826 8.371 1.804 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.865 7.193 0.880 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.541 6.743 2.464 1.00 10.00 H new ATOM 837 N GLY A 53 -7.104 8.787 4.832 1.00 10.00 N ATOM 838 CA GLY A 53 -7.192 9.384 6.175 1.00 10.00 C ATOM 839 C GLY A 53 -6.888 8.419 7.331 1.00 10.00 C ATOM 840 O GLY A 53 -6.773 8.869 8.476 1.00 10.00 O ATOM 0 H GLY A 53 -6.206 8.335 4.661 1.00 10.00 H new ATOM 0 HA2 GLY A 53 -6.499 10.224 6.230 1.00 10.00 H new ATOM 0 HA3 GLY A 53 -8.195 9.788 6.312 1.00 10.00 H new ATOM 844 N LYS A 54 -6.740 7.112 7.065 1.00 10.00 N ATOM 845 CA LYS A 54 -6.428 6.076 8.070 1.00 10.00 C ATOM 846 C LYS A 54 -4.942 5.738 8.036 1.00 10.00 C ATOM 847 O LYS A 54 -4.349 5.652 6.957 1.00 10.00 O ATOM 848 CB LYS A 54 -7.236 4.787 7.819 1.00 10.00 C ATOM 849 CG LYS A 54 -8.754 4.992 7.733 1.00 10.00 C ATOM 850 CD LYS A 54 -9.477 3.637 7.712 1.00 10.00 C ATOM 851 CE LYS A 54 -10.925 3.811 7.245 1.00 10.00 C ATOM 852 NZ LYS A 54 -11.659 2.518 7.251 1.00 10.00 N ATOM 0 H LYS A 54 -6.836 6.734 6.123 1.00 10.00 H new ATOM 0 HA LYS A 54 -6.698 6.478 9.047 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -6.891 4.332 6.890 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -7.023 4.078 8.619 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -9.097 5.581 8.584 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -9.001 5.557 6.834 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -8.954 2.949 7.048 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -9.460 3.193 8.707 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -11.435 4.523 7.894 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -10.936 4.232 6.240 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -12.536 2.614 6.701 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -11.063 1.779 6.826 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -11.891 2.255 8.230 1.00 10.00 H new ATOM 866 N ILE A 55 -4.369 5.480 9.209 1.00 10.00 N ATOM 867 CA ILE A 55 -2.927 5.276 9.398 1.00 10.00 C ATOM 868 C ILE A 55 -2.663 3.768 9.469 1.00 10.00 C ATOM 869 O ILE A 55 -2.743 3.137 10.529 1.00 10.00 O ATOM 870 CB ILE A 55 -2.398 6.059 10.626 1.00 10.00 C ATOM 871 CG1 ILE A 55 -2.768 7.560 10.532 1.00 10.00 C ATOM 872 CG2 ILE A 55 -0.869 5.891 10.728 1.00 10.00 C ATOM 873 CD1 ILE A 55 -2.403 8.382 11.774 1.00 10.00 C ATOM 0 H ILE A 55 -4.902 5.404 10.076 1.00 10.00 H new ATOM 0 HA ILE A 55 -2.370 5.680 8.553 1.00 10.00 H new ATOM 0 HB ILE A 55 -2.867 5.655 11.523 1.00 10.00 H new ATOM 0 HG12 ILE A 55 -2.267 7.992 9.666 1.00 10.00 H new ATOM 0 HG13 ILE A 55 -3.840 7.647 10.356 1.00 10.00 H new ATOM 0 HG21 ILE A 55 -0.499 6.443 11.592 1.00 10.00 H new ATOM 0 HG22 ILE A 55 -0.626 4.834 10.841 1.00 10.00 H new ATOM 0 HG23 ILE A 55 -0.399 6.277 9.823 1.00 10.00 H new ATOM 0 HD11 ILE A 55 -2.697 9.421 11.622 1.00 10.00 H new ATOM 0 HD12 ILE A 55 -2.925 7.980 12.642 1.00 10.00 H new ATOM 0 HD13 ILE A 55 -1.327 8.330 11.941 1.00 10.00 H new ATOM 885 N LEU A 56 -2.414 3.188 8.294 1.00 10.00 N ATOM 886 CA LEU A 56 -2.102 1.770 8.097 1.00 10.00 C ATOM 887 C LEU A 56 -0.859 1.341 8.904 1.00 10.00 C ATOM 888 O LEU A 56 0.100 2.104 9.054 1.00 10.00 O ATOM 889 CB LEU A 56 -1.951 1.526 6.581 1.00 10.00 C ATOM 890 CG LEU A 56 -3.236 1.009 5.906 1.00 10.00 C ATOM 891 CD1 LEU A 56 -4.463 1.894 6.146 1.00 10.00 C ATOM 892 CD2 LEU A 56 -3.017 0.912 4.396 1.00 10.00 C ATOM 0 H LEU A 56 -2.424 3.713 7.419 1.00 10.00 H new ATOM 0 HA LEU A 56 -2.911 1.147 8.478 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -1.648 2.456 6.101 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -1.149 0.806 6.416 1.00 10.00 H new ATOM 0 HG LEU A 56 -3.438 0.037 6.356 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -5.327 1.464 5.639 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -4.663 1.956 7.216 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -4.273 2.893 5.754 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -3.926 0.546 3.919 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -2.771 1.897 4.000 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -2.197 0.223 4.191 1.00 10.00 H new ATOM 904 N ASN A 57 -0.884 0.108 9.419 1.00 10.00 N ATOM 905 CA ASN A 57 0.035 -0.397 10.437 1.00 10.00 C ATOM 906 C ASN A 57 0.655 -1.753 10.036 1.00 10.00 C ATOM 907 O ASN A 57 -0.048 -2.712 9.709 1.00 10.00 O ATOM 908 CB ASN A 57 -0.761 -0.486 11.754 1.00 10.00 C ATOM 909 CG ASN A 57 0.098 -0.977 12.909 1.00 10.00 C ATOM 910 OD1 ASN A 57 1.197 -0.496 13.140 1.00 10.00 O ATOM 911 ND2 ASN A 57 -0.341 -1.962 13.660 1.00 10.00 N ATOM 0 H ASN A 57 -1.570 -0.588 9.127 1.00 10.00 H new ATOM 0 HA ASN A 57 0.884 0.277 10.553 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -1.169 0.495 11.998 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.608 -1.159 11.621 1.00 10.00 H new ATOM 0 HD21 ASN A 57 0.234 -2.316 14.425 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -1.257 -2.373 13.478 1.00 10.00 H new ATOM 918 N ASP A 58 1.982 -1.854 10.092 1.00 10.00 N ATOM 919 CA ASP A 58 2.759 -3.041 9.685 1.00 10.00 C ATOM 920 C ASP A 58 2.496 -4.322 10.499 1.00 10.00 C ATOM 921 O ASP A 58 2.900 -5.413 10.098 1.00 10.00 O ATOM 922 CB ASP A 58 4.251 -2.695 9.717 1.00 10.00 C ATOM 923 CG ASP A 58 4.796 -2.444 11.135 1.00 10.00 C ATOM 924 OD1 ASP A 58 4.678 -1.297 11.628 1.00 10.00 O ATOM 925 OD2 ASP A 58 5.371 -3.380 11.740 1.00 10.00 O ATOM 0 H ASP A 58 2.571 -1.093 10.431 1.00 10.00 H new ATOM 0 HA ASP A 58 2.421 -3.283 8.677 1.00 10.00 H new ATOM 0 HB2 ASP A 58 4.814 -3.509 9.259 1.00 10.00 H new ATOM 0 HB3 ASP A 58 4.423 -1.807 9.109 1.00 10.00 H new ATOM 930 N ASP A 59 1.795 -4.195 11.622 1.00 10.00 N ATOM 931 CA ASP A 59 1.446 -5.279 12.551 1.00 10.00 C ATOM 932 C ASP A 59 -0.073 -5.564 12.624 1.00 10.00 C ATOM 933 O ASP A 59 -0.519 -6.338 13.474 1.00 10.00 O ATOM 934 CB ASP A 59 2.063 -4.947 13.924 1.00 10.00 C ATOM 935 CG ASP A 59 2.075 -6.145 14.896 1.00 10.00 C ATOM 936 OD1 ASP A 59 2.591 -7.227 14.526 1.00 10.00 O ATOM 937 OD2 ASP A 59 1.621 -5.989 16.057 1.00 10.00 O ATOM 0 H ASP A 59 1.435 -3.291 11.929 1.00 10.00 H new ATOM 0 HA ASP A 59 1.864 -6.214 12.179 1.00 10.00 H new ATOM 0 HB2 ASP A 59 3.085 -4.596 13.780 1.00 10.00 H new ATOM 0 HB3 ASP A 59 1.505 -4.127 14.376 1.00 10.00 H new ATOM 942 N THR A 60 -0.886 -4.983 11.724 1.00 10.00 N ATOM 943 CA THR A 60 -2.350 -5.164 11.687 1.00 10.00 C ATOM 944 C THR A 60 -2.829 -5.539 10.276 1.00 10.00 C ATOM 945 O THR A 60 -2.354 -5.009 9.269 1.00 10.00 O ATOM 946 CB THR A 60 -3.064 -3.915 12.239 1.00 10.00 C ATOM 947 OG1 THR A 60 -2.701 -3.682 13.587 1.00 10.00 O ATOM 948 CG2 THR A 60 -4.587 -3.993 12.185 1.00 10.00 C ATOM 0 H THR A 60 -0.540 -4.365 10.990 1.00 10.00 H new ATOM 0 HA THR A 60 -2.613 -6.000 12.336 1.00 10.00 H new ATOM 0 HB THR A 60 -2.740 -3.103 11.588 1.00 10.00 H new ATOM 0 HG1 THR A 60 -3.164 -2.884 13.917 1.00 10.00 H new ATOM 0 HG21 THR A 60 -5.013 -3.076 12.592 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.909 -4.115 11.151 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.929 -4.844 12.774 1.00 10.00 H new ATOM 956 N ALA A 61 -3.741 -6.515 10.213 1.00 10.00 N ATOM 957 CA ALA A 61 -4.252 -7.117 8.980 1.00 10.00 C ATOM 958 C ALA A 61 -5.099 -6.155 8.126 1.00 10.00 C ATOM 959 O ALA A 61 -5.882 -5.358 8.642 1.00 10.00 O ATOM 960 CB ALA A 61 -5.043 -8.371 9.353 1.00 10.00 C ATOM 0 H ALA A 61 -4.158 -6.921 11.051 1.00 10.00 H new ATOM 0 HA ALA A 61 -3.400 -7.373 8.350 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -5.434 -8.837 8.449 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -4.389 -9.073 9.870 1.00 10.00 H new ATOM 0 HB3 ALA A 61 -5.871 -8.098 10.007 1.00 10.00 H new ATOM 966 N LEU A 62 -4.975 -6.271 6.804 1.00 10.00 N ATOM 967 CA LEU A 62 -5.536 -5.354 5.809 1.00 10.00 C ATOM 968 C LEU A 62 -7.063 -5.179 5.889 1.00 10.00 C ATOM 969 O LEU A 62 -7.565 -4.060 5.762 1.00 10.00 O ATOM 970 CB LEU A 62 -5.088 -5.825 4.419 1.00 10.00 C ATOM 971 CG LEU A 62 -3.620 -5.479 4.109 1.00 10.00 C ATOM 972 CD1 LEU A 62 -3.113 -6.325 2.949 1.00 10.00 C ATOM 973 CD2 LEU A 62 -3.476 -4.006 3.716 1.00 10.00 C ATOM 0 H LEU A 62 -4.458 -7.040 6.378 1.00 10.00 H new ATOM 0 HA LEU A 62 -5.150 -4.357 6.021 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -5.224 -6.904 4.346 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -5.730 -5.371 3.664 1.00 10.00 H new ATOM 0 HG LEU A 62 -3.040 -5.679 5.010 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -2.074 -6.071 2.740 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -3.182 -7.381 3.211 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -3.719 -6.130 2.064 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -2.430 -3.787 3.502 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -4.077 -3.806 2.829 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -3.818 -3.375 4.537 1.00 10.00 H new ATOM 985 N LYS A 63 -7.813 -6.255 6.152 1.00 10.00 N ATOM 986 CA LYS A 63 -9.276 -6.189 6.326 1.00 10.00 C ATOM 987 C LYS A 63 -9.755 -5.357 7.529 1.00 10.00 C ATOM 988 O LYS A 63 -10.895 -4.899 7.522 1.00 10.00 O ATOM 989 CB LYS A 63 -9.893 -7.599 6.291 1.00 10.00 C ATOM 990 CG LYS A 63 -9.920 -8.393 7.607 1.00 10.00 C ATOM 991 CD LYS A 63 -8.549 -8.622 8.265 1.00 10.00 C ATOM 992 CE LYS A 63 -8.671 -9.296 9.642 1.00 10.00 C ATOM 993 NZ LYS A 63 -9.365 -10.611 9.594 1.00 10.00 N ATOM 0 H LYS A 63 -7.429 -7.195 6.251 1.00 10.00 H new ATOM 0 HA LYS A 63 -9.650 -5.628 5.470 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -10.918 -7.509 5.931 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.347 -8.187 5.554 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -10.561 -7.869 8.315 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -10.380 -9.363 7.418 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -7.934 -9.241 7.612 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -8.036 -7.666 8.374 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -7.674 -9.434 10.061 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -9.211 -8.632 10.317 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -9.267 -11.089 10.512 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -10.373 -10.464 9.386 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -8.940 -11.201 8.850 1.00 10.00 H new ATOM 1007 N GLU A 64 -8.904 -5.089 8.527 1.00 10.00 N ATOM 1008 CA GLU A 64 -9.242 -4.229 9.678 1.00 10.00 C ATOM 1009 C GLU A 64 -9.372 -2.743 9.291 1.00 10.00 C ATOM 1010 O GLU A 64 -10.064 -1.984 9.969 1.00 10.00 O ATOM 1011 CB GLU A 64 -8.193 -4.365 10.795 1.00 10.00 C ATOM 1012 CG GLU A 64 -8.070 -5.776 11.387 1.00 10.00 C ATOM 1013 CD GLU A 64 -9.340 -6.189 12.152 1.00 10.00 C ATOM 1014 OE1 GLU A 64 -9.472 -5.841 13.352 1.00 10.00 O ATOM 1015 OE2 GLU A 64 -10.215 -6.868 11.563 1.00 10.00 O ATOM 0 H GLU A 64 -7.956 -5.463 8.563 1.00 10.00 H new ATOM 0 HA GLU A 64 -10.212 -4.573 10.036 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.222 -4.064 10.402 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -8.442 -3.669 11.596 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -7.880 -6.491 10.586 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -7.213 -5.815 12.059 1.00 10.00 H new ATOM 1022 N TYR A 65 -8.752 -2.338 8.176 1.00 10.00 N ATOM 1023 CA TYR A 65 -8.899 -0.998 7.586 1.00 10.00 C ATOM 1024 C TYR A 65 -10.086 -0.929 6.603 1.00 10.00 C ATOM 1025 O TYR A 65 -10.429 0.162 6.138 1.00 10.00 O ATOM 1026 CB TYR A 65 -7.610 -0.571 6.866 1.00 10.00 C ATOM 1027 CG TYR A 65 -6.327 -0.922 7.596 1.00 10.00 C ATOM 1028 CD1 TYR A 65 -5.984 -0.313 8.821 1.00 10.00 C ATOM 1029 CD2 TYR A 65 -5.503 -1.923 7.056 1.00 10.00 C ATOM 1030 CE1 TYR A 65 -4.821 -0.715 9.497 1.00 10.00 C ATOM 1031 CE2 TYR A 65 -4.364 -2.357 7.750 1.00 10.00 C ATOM 1032 CZ TYR A 65 -4.014 -1.730 8.956 1.00 10.00 C ATOM 1033 OH TYR A 65 -2.874 -2.079 9.587 1.00 10.00 O ATOM 0 H TYR A 65 -8.122 -2.942 7.648 1.00 10.00 H new ATOM 0 HA TYR A 65 -9.097 -0.311 8.409 1.00 10.00 H new ATOM 0 HB2 TYR A 65 -7.590 -1.037 5.881 1.00 10.00 H new ATOM 0 HB3 TYR A 65 -7.639 0.507 6.709 1.00 10.00 H new ATOM 0 HD1 TYR A 65 -6.613 0.460 9.237 1.00 10.00 H new ATOM 0 HD2 TYR A 65 -5.748 -2.362 6.100 1.00 10.00 H new ATOM 0 HE1 TYR A 65 -4.547 -0.245 10.430 1.00 10.00 H new ATOM 0 HE2 TYR A 65 -3.763 -3.165 7.361 1.00 10.00 H new ATOM 0 HH TYR A 65 -2.694 -3.030 9.434 1.00 10.00 H new ATOM 1043 N LYS A 66 -10.712 -2.085 6.307 1.00 10.00 N ATOM 1044 CA LYS A 66 -11.816 -2.310 5.352 1.00 10.00 C ATOM 1045 C LYS A 66 -11.650 -1.555 4.022 1.00 10.00 C ATOM 1046 O LYS A 66 -12.519 -0.793 3.594 1.00 10.00 O ATOM 1047 CB LYS A 66 -13.189 -2.180 6.049 1.00 10.00 C ATOM 1048 CG LYS A 66 -13.369 -0.899 6.881 1.00 10.00 C ATOM 1049 CD LYS A 66 -14.754 -0.798 7.541 1.00 10.00 C ATOM 1050 CE LYS A 66 -15.886 -0.647 6.514 1.00 10.00 C ATOM 1051 NZ LYS A 66 -17.207 -0.499 7.176 1.00 10.00 N ATOM 0 H LYS A 66 -10.438 -2.954 6.765 1.00 10.00 H new ATOM 0 HA LYS A 66 -11.769 -3.347 5.020 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -13.971 -2.217 5.291 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -13.334 -3.043 6.699 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -12.601 -0.864 7.654 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -13.215 -0.031 6.239 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -14.931 -1.689 8.144 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -14.768 0.055 8.220 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -15.694 0.222 5.885 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -15.902 -1.518 5.858 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -17.948 -0.399 6.453 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -17.400 -1.340 7.757 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -17.199 0.346 7.782 1.00 10.00 H new ATOM 1065 N ILE A 67 -10.486 -1.769 3.399 1.00 10.00 N ATOM 1066 CA ILE A 67 -10.076 -1.182 2.113 1.00 10.00 C ATOM 1067 C ILE A 67 -11.020 -1.625 0.976 1.00 10.00 C ATOM 1068 O ILE A 67 -11.577 -2.727 1.008 1.00 10.00 O ATOM 1069 CB ILE A 67 -8.586 -1.499 1.826 1.00 10.00 C ATOM 1070 CG1 ILE A 67 -7.724 -1.127 3.054 1.00 10.00 C ATOM 1071 CG2 ILE A 67 -8.096 -0.768 0.560 1.00 10.00 C ATOM 1072 CD1 ILE A 67 -6.208 -1.169 2.849 1.00 10.00 C ATOM 0 H ILE A 67 -9.771 -2.382 3.792 1.00 10.00 H new ATOM 0 HA ILE A 67 -10.162 -0.097 2.172 1.00 10.00 H new ATOM 0 HB ILE A 67 -8.486 -2.569 1.642 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -7.999 -0.122 3.375 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -7.979 -1.803 3.870 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -7.048 -1.009 0.383 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -8.691 -1.085 -0.297 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -8.203 0.308 0.697 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.708 -0.890 3.776 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -5.907 -2.177 2.564 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -5.928 -0.470 2.061 1.00 10.00 H new ATOM 1084 N ASP A 68 -11.193 -0.777 -0.040 1.00 10.00 N ATOM 1085 CA ASP A 68 -12.133 -0.955 -1.155 1.00 10.00 C ATOM 1086 C ASP A 68 -11.471 -0.685 -2.523 1.00 10.00 C ATOM 1087 O ASP A 68 -10.740 0.289 -2.700 1.00 10.00 O ATOM 1088 CB ASP A 68 -13.337 -0.036 -0.915 1.00 10.00 C ATOM 1089 CG ASP A 68 -14.246 0.042 -2.143 1.00 10.00 C ATOM 1090 OD1 ASP A 68 -15.085 -0.867 -2.345 1.00 10.00 O ATOM 1091 OD2 ASP A 68 -14.076 1.011 -2.916 1.00 10.00 O ATOM 0 H ASP A 68 -10.661 0.090 -0.114 1.00 10.00 H new ATOM 0 HA ASP A 68 -12.462 -1.994 -1.189 1.00 10.00 H new ATOM 0 HB2 ASP A 68 -13.909 -0.402 -0.062 1.00 10.00 H new ATOM 0 HB3 ASP A 68 -12.986 0.964 -0.659 1.00 10.00 H new ATOM 1096 N GLU A 69 -11.760 -1.549 -3.501 1.00 10.00 N ATOM 1097 CA GLU A 69 -11.154 -1.553 -4.844 1.00 10.00 C ATOM 1098 C GLU A 69 -11.522 -0.358 -5.750 1.00 10.00 C ATOM 1099 O GLU A 69 -10.914 -0.191 -6.814 1.00 10.00 O ATOM 1100 CB GLU A 69 -11.481 -2.886 -5.549 1.00 10.00 C ATOM 1101 CG GLU A 69 -12.976 -3.084 -5.840 1.00 10.00 C ATOM 1102 CD GLU A 69 -13.229 -4.413 -6.578 1.00 10.00 C ATOM 1103 OE1 GLU A 69 -13.198 -5.489 -5.932 1.00 10.00 O ATOM 1104 OE2 GLU A 69 -13.478 -4.388 -7.808 1.00 10.00 O ATOM 0 H GLU A 69 -12.447 -2.293 -3.379 1.00 10.00 H new ATOM 0 HA GLU A 69 -10.082 -1.444 -4.680 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -10.928 -2.935 -6.487 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -11.129 -3.710 -4.928 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -13.536 -3.072 -4.905 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -13.345 -2.254 -6.443 1.00 10.00 H new ATOM 1111 N LYS A 70 -12.495 0.473 -5.346 1.00 10.00 N ATOM 1112 CA LYS A 70 -12.951 1.681 -6.066 1.00 10.00 C ATOM 1113 C LYS A 70 -12.465 2.977 -5.399 1.00 10.00 C ATOM 1114 O LYS A 70 -12.590 4.059 -5.976 1.00 10.00 O ATOM 1115 CB LYS A 70 -14.490 1.691 -6.188 1.00 10.00 C ATOM 1116 CG LYS A 70 -15.138 0.386 -6.682 1.00 10.00 C ATOM 1117 CD LYS A 70 -14.669 -0.030 -8.086 1.00 10.00 C ATOM 1118 CE LYS A 70 -15.333 -1.327 -8.573 1.00 10.00 C ATOM 1119 NZ LYS A 70 -16.781 -1.153 -8.863 1.00 10.00 N ATOM 0 H LYS A 70 -13.007 0.320 -4.477 1.00 10.00 H new ATOM 0 HA LYS A 70 -12.511 1.642 -7.062 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -14.910 1.935 -5.212 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -14.775 2.494 -6.867 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -14.910 -0.414 -5.978 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -16.221 0.506 -6.689 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -14.888 0.772 -8.790 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -13.587 -0.161 -8.079 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -14.825 -1.675 -9.472 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -15.208 -2.101 -7.816 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -17.177 -2.052 -9.204 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -17.276 -0.863 -7.996 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -16.904 -0.422 -9.593 1.00 10.00 H new ATOM 1133 N ASN A 71 -11.872 2.863 -4.209 1.00 10.00 N ATOM 1134 CA ASN A 71 -11.140 3.914 -3.498 1.00 10.00 C ATOM 1135 C ASN A 71 -9.620 3.722 -3.701 1.00 10.00 C ATOM 1136 O ASN A 71 -9.193 2.803 -4.404 1.00 10.00 O ATOM 1137 CB ASN A 71 -11.560 3.866 -2.016 1.00 10.00 C ATOM 1138 CG ASN A 71 -12.942 4.454 -1.785 1.00 10.00 C ATOM 1139 OD1 ASN A 71 -13.091 5.618 -1.439 1.00 10.00 O ATOM 1140 ND2 ASN A 71 -13.998 3.693 -1.964 1.00 10.00 N ATOM 0 H ASN A 71 -11.890 1.987 -3.687 1.00 10.00 H new ATOM 0 HA ASN A 71 -11.379 4.903 -3.889 1.00 10.00 H new ATOM 0 HB2 ASN A 71 -11.546 2.832 -1.671 1.00 10.00 H new ATOM 0 HB3 ASN A 71 -10.831 4.412 -1.417 1.00 10.00 H new ATOM 0 HD21 ASN A 71 -14.932 4.074 -1.815 1.00 10.00 H new ATOM 0 HD22 ASN A 71 -13.883 2.721 -2.252 1.00 10.00 H new ATOM 1147 N PHE A 72 -8.795 4.586 -3.096 1.00 10.00 N ATOM 1148 CA PHE A 72 -7.334 4.513 -3.200 1.00 10.00 C ATOM 1149 C PHE A 72 -6.591 4.719 -1.874 1.00 10.00 C ATOM 1150 O PHE A 72 -7.107 5.278 -0.903 1.00 10.00 O ATOM 1151 CB PHE A 72 -6.814 5.440 -4.319 1.00 10.00 C ATOM 1152 CG PHE A 72 -7.140 6.919 -4.218 1.00 10.00 C ATOM 1153 CD1 PHE A 72 -6.625 7.711 -3.171 1.00 10.00 C ATOM 1154 CD2 PHE A 72 -7.899 7.529 -5.236 1.00 10.00 C ATOM 1155 CE1 PHE A 72 -6.896 9.091 -3.128 1.00 10.00 C ATOM 1156 CE2 PHE A 72 -8.150 8.912 -5.206 1.00 10.00 C ATOM 1157 CZ PHE A 72 -7.657 9.694 -4.145 1.00 10.00 C ATOM 0 H PHE A 72 -9.125 5.359 -2.518 1.00 10.00 H new ATOM 0 HA PHE A 72 -7.105 3.484 -3.476 1.00 10.00 H new ATOM 0 HB2 PHE A 72 -5.730 5.338 -4.362 1.00 10.00 H new ATOM 0 HB3 PHE A 72 -7.207 5.074 -5.268 1.00 10.00 H new ATOM 0 HD1 PHE A 72 -6.021 7.257 -2.400 1.00 10.00 H new ATOM 0 HD2 PHE A 72 -8.291 6.930 -6.045 1.00 10.00 H new ATOM 0 HE1 PHE A 72 -6.518 9.689 -2.312 1.00 10.00 H new ATOM 0 HE2 PHE A 72 -8.721 9.374 -5.997 1.00 10.00 H new ATOM 0 HZ PHE A 72 -7.862 10.754 -4.112 1.00 10.00 H new ATOM 1167 N VAL A 73 -5.341 4.261 -1.877 1.00 10.00 N ATOM 1168 CA VAL A 73 -4.336 4.326 -0.814 1.00 10.00 C ATOM 1169 C VAL A 73 -3.176 5.170 -1.343 1.00 10.00 C ATOM 1170 O VAL A 73 -2.817 5.069 -2.517 1.00 10.00 O ATOM 1171 CB VAL A 73 -3.866 2.894 -0.471 1.00 10.00 C ATOM 1172 CG1 VAL A 73 -2.592 2.818 0.385 1.00 10.00 C ATOM 1173 CG2 VAL A 73 -4.954 2.117 0.272 1.00 10.00 C ATOM 0 H VAL A 73 -4.969 3.790 -2.702 1.00 10.00 H new ATOM 0 HA VAL A 73 -4.738 4.774 0.095 1.00 10.00 H new ATOM 0 HB VAL A 73 -3.645 2.456 -1.445 1.00 10.00 H new ATOM 0 HG11 VAL A 73 -2.342 1.774 0.573 1.00 10.00 H new ATOM 0 HG12 VAL A 73 -1.769 3.299 -0.144 1.00 10.00 H new ATOM 0 HG13 VAL A 73 -2.760 3.327 1.334 1.00 10.00 H new ATOM 0 HG21 VAL A 73 -4.594 1.114 0.499 1.00 10.00 H new ATOM 0 HG22 VAL A 73 -5.200 2.633 1.200 1.00 10.00 H new ATOM 0 HG23 VAL A 73 -5.844 2.050 -0.353 1.00 10.00 H new ATOM 1183 N VAL A 74 -2.567 5.993 -0.495 1.00 10.00 N ATOM 1184 CA VAL A 74 -1.406 6.821 -0.856 1.00 10.00 C ATOM 1185 C VAL A 74 -0.132 6.194 -0.291 1.00 10.00 C ATOM 1186 O VAL A 74 -0.044 5.955 0.913 1.00 10.00 O ATOM 1187 CB VAL A 74 -1.558 8.279 -0.384 1.00 10.00 C ATOM 1188 CG1 VAL A 74 -0.451 9.151 -0.994 1.00 10.00 C ATOM 1189 CG2 VAL A 74 -2.907 8.884 -0.808 1.00 10.00 C ATOM 0 H VAL A 74 -2.864 6.110 0.474 1.00 10.00 H new ATOM 0 HA VAL A 74 -1.342 6.852 -1.944 1.00 10.00 H new ATOM 0 HB VAL A 74 -1.494 8.263 0.704 1.00 10.00 H new ATOM 0 HG11 VAL A 74 -0.569 10.180 -0.653 1.00 10.00 H new ATOM 0 HG12 VAL A 74 0.523 8.774 -0.681 1.00 10.00 H new ATOM 0 HG13 VAL A 74 -0.520 9.119 -2.081 1.00 10.00 H new ATOM 0 HG21 VAL A 74 -2.972 9.913 -0.454 1.00 10.00 H new ATOM 0 HG22 VAL A 74 -2.987 8.868 -1.895 1.00 10.00 H new ATOM 0 HG23 VAL A 74 -3.720 8.300 -0.376 1.00 10.00 H new ATOM 1199 N VAL A 75 0.855 5.947 -1.155 1.00 10.00 N ATOM 1200 CA VAL A 75 2.203 5.475 -0.803 1.00 10.00 C ATOM 1201 C VAL A 75 3.185 6.653 -0.795 1.00 10.00 C ATOM 1202 O VAL A 75 3.249 7.435 -1.748 1.00 10.00 O ATOM 1203 CB VAL A 75 2.704 4.350 -1.742 1.00 10.00 C ATOM 1204 CG1 VAL A 75 1.982 3.031 -1.455 1.00 10.00 C ATOM 1205 CG2 VAL A 75 2.558 4.627 -3.245 1.00 10.00 C ATOM 0 H VAL A 75 0.736 6.074 -2.160 1.00 10.00 H new ATOM 0 HA VAL A 75 2.147 5.044 0.197 1.00 10.00 H new ATOM 0 HB VAL A 75 3.770 4.296 -1.520 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.353 2.259 -2.129 1.00 10.00 H new ATOM 0 HG12 VAL A 75 2.167 2.732 -0.423 1.00 10.00 H new ATOM 0 HG13 VAL A 75 0.911 3.162 -1.608 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.939 3.776 -3.810 1.00 10.00 H new ATOM 0 HG22 VAL A 75 1.506 4.781 -3.486 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.125 5.520 -3.507 1.00 10.00 H new ATOM 1215 N MET A 76 3.951 6.788 0.289 1.00 10.00 N ATOM 1216 CA MET A 76 4.892 7.900 0.513 1.00 10.00 C ATOM 1217 C MET A 76 6.220 7.409 1.112 1.00 10.00 C ATOM 1218 O MET A 76 6.287 6.308 1.658 1.00 10.00 O ATOM 1219 CB MET A 76 4.209 8.983 1.368 1.00 10.00 C ATOM 1220 CG MET A 76 3.837 8.511 2.782 1.00 10.00 C ATOM 1221 SD MET A 76 2.668 9.573 3.673 1.00 10.00 S ATOM 1222 CE MET A 76 1.131 9.165 2.790 1.00 10.00 C ATOM 0 H MET A 76 3.938 6.115 1.056 1.00 10.00 H new ATOM 0 HA MET A 76 5.156 8.348 -0.445 1.00 10.00 H new ATOM 0 HB2 MET A 76 4.872 9.844 1.445 1.00 10.00 H new ATOM 0 HB3 MET A 76 3.307 9.320 0.858 1.00 10.00 H new ATOM 0 HG2 MET A 76 3.412 7.510 2.713 1.00 10.00 H new ATOM 0 HG3 MET A 76 4.750 8.430 3.372 1.00 10.00 H new ATOM 0 HE1 MET A 76 0.283 9.609 3.312 1.00 10.00 H new ATOM 0 HE2 MET A 76 1.179 9.559 1.775 1.00 10.00 H new ATOM 0 HE3 MET A 76 1.009 8.082 2.754 1.00 10.00 H new ATOM 1232 N VAL A 77 7.292 8.198 0.975 1.00 10.00 N ATOM 1233 CA VAL A 77 8.687 7.725 1.086 1.00 10.00 C ATOM 1234 C VAL A 77 9.552 8.723 1.866 1.00 10.00 C ATOM 1235 O VAL A 77 9.381 9.937 1.742 1.00 10.00 O ATOM 1236 CB VAL A 77 9.280 7.490 -0.326 1.00 10.00 C ATOM 1237 CG1 VAL A 77 10.730 6.983 -0.305 1.00 10.00 C ATOM 1238 CG2 VAL A 77 8.459 6.463 -1.117 1.00 10.00 C ATOM 0 H VAL A 77 7.220 9.197 0.781 1.00 10.00 H new ATOM 0 HA VAL A 77 8.684 6.784 1.635 1.00 10.00 H new ATOM 0 HB VAL A 77 9.250 8.471 -0.800 1.00 10.00 H new ATOM 0 HG11 VAL A 77 11.080 6.840 -1.327 1.00 10.00 H new ATOM 0 HG12 VAL A 77 11.364 7.714 0.197 1.00 10.00 H new ATOM 0 HG13 VAL A 77 10.776 6.034 0.230 1.00 10.00 H new ATOM 0 HG21 VAL A 77 8.904 6.323 -2.102 1.00 10.00 H new ATOM 0 HG22 VAL A 77 8.453 5.513 -0.583 1.00 10.00 H new ATOM 0 HG23 VAL A 77 7.436 6.823 -1.228 1.00 10.00 H new