USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot 180:sc= 0.122 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0693 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -150:sc= 0.602 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.55 USER MOD Single : A 1 MET CE :methyl -157:sc= 0 (180deg=-0.6) USER MOD Single : A 1 MET N :NH3+ -153:sc= 2.3 (180deg=1.73) USER MOD Single : A 2 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.26) USER MOD Single : A 11 LYS NZ :NH3+ -140:sc= 0.573 (180deg=-0.898!) USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.246 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 2.12 (180deg=2) USER MOD Single : A 29 LYS NZ :NH3+ -114:sc= 1.3 (180deg=0.544) USER MOD Single : A 31 GLN : amide:sc= -0.891 K(o=-0.89,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.26 K(o=1.3,f=-4.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.44) USER MOD Single : A 55 THR OG1 : rot -34:sc= 1.27 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 160:sc= 0.0276 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 62 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.21) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= 1.3 (180deg=1.12) USER MOD Single : A 65 SER OG : rot -108:sc= 0.102 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.205 -7.450 -5.171 1.00 9.67 N ATOM 2 CA MET A 1 11.201 -7.244 -3.657 1.00 10.38 C ATOM 3 C MET A 1 9.859 -7.689 -3.089 1.00 9.62 C ATOM 4 O MET A 1 8.818 -7.367 -3.590 1.00 9.62 O ATOM 5 CB MET A 1 11.487 -5.826 -3.236 1.00 13.77 C ATOM 6 CG MET A 1 11.732 -5.478 -1.826 1.00 16.29 C ATOM 7 SD MET A 1 12.030 -3.700 -1.560 1.00 17.17 S ATOM 8 CE MET A 1 10.297 -3.246 -1.306 1.00 16.11 C ATOM 0 H1 MET A 1 12.181 -7.596 -5.499 1.00 9.67 H new ATOM 0 H2 MET A 1 10.631 -8.284 -5.409 1.00 9.67 H new ATOM 0 H3 MET A 1 10.806 -6.610 -5.637 1.00 9.67 H new ATOM 0 HA MET A 1 12.013 -7.851 -3.257 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.360 -5.498 -3.800 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.645 -5.220 -3.571 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.875 -5.788 -1.229 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.593 -6.041 -1.465 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.163 -2.187 -1.525 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.665 -3.836 -1.970 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.018 -3.441 -0.271 1.00 16.11 H new ATOM 20 N GLN A 2 9.837 -8.484 -1.986 1.00 9.27 N ATOM 21 CA GLN A 2 8.581 -8.823 -1.386 1.00 9.07 C ATOM 22 C GLN A 2 8.148 -7.881 -0.323 1.00 8.72 C ATOM 23 O GLN A 2 8.928 -7.468 0.469 1.00 8.22 O ATOM 24 CB GLN A 2 8.781 -10.278 -0.853 1.00 14.46 C ATOM 25 CG GLN A 2 7.540 -10.751 -0.023 1.00 17.01 C ATOM 26 CD GLN A 2 7.714 -12.289 0.155 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.881 -12.824 1.249 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.648 -12.980 -0.992 1.00 19.49 N ATOM 0 H GLN A 2 10.661 -8.876 -1.529 1.00 9.27 H new ATOM 0 HA GLN A 2 7.770 -8.755 -2.111 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.942 -10.956 -1.691 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.676 -10.321 -0.232 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.500 -10.247 0.943 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.610 -10.520 -0.542 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.508 -12.490 -1.875 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.738 -13.996 -0.981 1.00 19.49 H new ATOM 37 N ILE A 3 6.897 -7.482 -0.231 1.00 5.87 N ATOM 38 CA ILE A 3 6.356 -6.741 0.829 1.00 5.07 C ATOM 39 C ILE A 3 5.073 -7.395 1.301 1.00 4.01 C ATOM 40 O ILE A 3 4.440 -8.172 0.574 1.00 4.61 O ATOM 41 CB ILE A 3 6.083 -5.323 0.479 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.218 -5.105 -0.756 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.425 -4.476 0.383 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.771 -3.601 -0.902 1.00 10.83 C ATOM 0 H ILE A 3 6.208 -7.693 -0.953 1.00 5.87 H new ATOM 0 HA ILE A 3 7.106 -6.734 1.620 1.00 5.07 H new ATOM 0 HB ILE A 3 5.481 -4.958 1.311 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.772 -5.407 -1.645 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.335 -5.742 -0.698 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.186 -3.444 0.125 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.940 -4.500 1.343 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.070 -4.902 -0.386 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.156 -3.489 -1.795 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.194 -3.306 -0.025 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.653 -2.966 -0.987 1.00 10.83 H new ATOM 56 N PHE A 4 4.627 -7.122 2.555 1.00 4.55 N ATOM 57 CA PHE A 4 3.340 -7.598 3.066 1.00 4.68 C ATOM 58 C PHE A 4 2.396 -6.457 3.216 1.00 5.30 C ATOM 59 O PHE A 4 2.842 -5.349 3.545 1.00 5.58 O ATOM 60 CB PHE A 4 3.593 -8.398 4.412 1.00 4.83 C ATOM 61 CG PHE A 4 4.669 -9.497 4.281 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.477 -10.589 3.405 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.810 -9.423 5.112 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.368 -11.636 3.416 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.705 -10.486 5.118 1.00 10.61 C ATOM 66 CZ PHE A 4 6.544 -11.567 4.227 1.00 8.90 C ATOM 0 H PHE A 4 5.156 -6.567 3.228 1.00 4.55 H new ATOM 0 HA PHE A 4 2.867 -8.285 2.364 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.893 -7.697 5.191 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.657 -8.853 4.736 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.634 -10.601 2.730 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.983 -8.555 5.731 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.180 -12.511 2.812 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.532 -10.484 5.812 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.301 -12.335 4.158 1.00 8.90 H new ATOM 76 N VAL A 5 1.114 -6.643 2.897 1.00 4.44 N ATOM 77 CA VAL A 5 0.033 -5.632 3.255 1.00 3.87 C ATOM 78 C VAL A 5 -0.937 -6.377 4.162 1.00 4.93 C ATOM 79 O VAL A 5 -1.587 -7.328 3.709 1.00 6.84 O ATOM 80 CB VAL A 5 -0.704 -5.096 2.080 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.849 -4.107 2.441 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.300 -4.324 1.112 1.00 9.13 C ATOM 0 H VAL A 5 0.769 -7.463 2.398 1.00 4.44 H new ATOM 0 HA VAL A 5 0.496 -4.764 3.725 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.151 -5.968 1.603 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.335 -3.764 1.528 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.580 -4.612 3.073 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.436 -3.252 2.976 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.249 -3.935 0.254 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.763 -3.498 1.652 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.073 -5.011 0.767 1.00 9.13 H new ATOM 92 N LYS A 6 -1.191 -5.897 5.400 1.00 6.04 N ATOM 93 CA LYS A 6 -2.267 -6.311 6.276 1.00 6.12 C ATOM 94 C LYS A 6 -3.513 -5.551 5.934 1.00 6.57 C ATOM 95 O LYS A 6 -3.642 -4.369 6.165 1.00 5.76 O ATOM 96 CB LYS A 6 -1.892 -5.930 7.740 1.00 7.45 C ATOM 97 CG LYS A 6 -0.782 -6.768 8.309 1.00 11.12 C ATOM 98 CD LYS A 6 -1.230 -8.227 8.640 1.00 14.54 C ATOM 99 CE LYS A 6 -0.070 -9.207 9.029 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.527 -10.557 9.218 1.00 20.55 N ATOM 0 H LYS A 6 -0.609 -5.172 5.821 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.425 -7.384 6.166 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.598 -4.881 7.771 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.775 -6.032 8.372 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.044 -6.799 7.598 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.404 -6.295 9.215 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.947 -8.193 9.461 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.754 -8.634 7.776 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.691 -9.191 8.249 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.405 -8.856 9.945 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.075 -11.032 9.920 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.510 -10.546 9.556 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.477 -11.070 8.315 1.00 20.55 H new ATOM 114 N THR A 7 -4.507 -6.337 5.448 1.00 7.41 N ATOM 115 CA THR A 7 -5.918 -5.839 5.222 1.00 7.48 C ATOM 116 C THR A 7 -6.601 -5.284 6.465 1.00 8.75 C ATOM 117 O THR A 7 -5.996 -5.397 7.512 1.00 8.58 O ATOM 118 CB THR A 7 -6.913 -6.841 4.558 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.300 -7.879 5.439 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.304 -7.488 3.312 1.00 9.17 C ATOM 0 H THR A 7 -4.373 -7.318 5.201 1.00 7.41 H new ATOM 0 HA THR A 7 -5.715 -5.039 4.510 1.00 7.48 H new ATOM 0 HB THR A 7 -7.789 -6.250 4.289 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.924 -8.481 4.982 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.023 -8.180 2.873 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.055 -6.715 2.585 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.400 -8.030 3.589 1.00 9.17 H new ATOM 128 N LEU A 8 -7.845 -4.775 6.390 1.00 9.84 N ATOM 129 CA LEU A 8 -8.546 -4.228 7.576 1.00 14.15 C ATOM 130 C LEU A 8 -8.872 -5.268 8.649 1.00 17.37 C ATOM 131 O LEU A 8 -8.787 -4.980 9.849 1.00 17.01 O ATOM 132 CB LEU A 8 -9.853 -3.530 7.166 1.00 16.63 C ATOM 133 CG LEU A 8 -10.606 -2.820 8.315 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.767 -1.573 8.729 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.019 -2.485 7.830 1.00 18.59 C ATOM 0 H LEU A 8 -8.387 -4.729 5.527 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.842 -3.519 8.011 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.628 -2.796 6.392 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.517 -4.270 6.720 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.720 -3.444 9.201 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.272 -1.048 9.540 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.780 -1.893 9.063 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.662 -0.905 7.874 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.568 -1.983 8.627 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.960 -1.829 6.961 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.537 -3.404 7.556 1.00 18.59 H new ATOM 147 N THR A 9 -9.175 -6.501 8.274 1.00 18.33 N ATOM 148 CA THR A 9 -9.365 -7.611 9.148 1.00 19.24 C ATOM 149 C THR A 9 -8.037 -8.364 9.414 1.00 19.48 C ATOM 150 O THR A 9 -7.971 -9.334 10.153 1.00 23.14 O ATOM 151 CB THR A 9 -10.212 -8.686 8.518 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.056 -8.794 7.155 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.622 -8.167 8.705 1.00 19.70 C ATOM 0 H THR A 9 -9.298 -6.751 7.293 1.00 18.33 H new ATOM 0 HA THR A 9 -9.810 -7.174 10.042 1.00 19.24 H new ATOM 0 HB THR A 9 -9.960 -9.650 8.960 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.633 -9.510 6.815 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.331 -8.877 8.279 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.826 -8.044 9.769 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.725 -7.205 8.202 1.00 19.70 H new ATOM 161 N GLY A 10 -6.820 -7.952 8.956 1.00 19.43 N ATOM 162 CA GLY A 10 -5.548 -8.609 9.346 1.00 18.74 C ATOM 163 C GLY A 10 -5.004 -9.570 8.298 1.00 17.62 C ATOM 164 O GLY A 10 -3.937 -10.177 8.437 1.00 19.74 O ATOM 0 H GLY A 10 -6.699 -7.167 8.316 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.800 -7.842 9.544 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.702 -9.152 10.278 1.00 18.74 H new ATOM 168 N LYS A 11 -5.738 -9.828 7.177 1.00 13.56 N ATOM 169 CA LYS A 11 -5.300 -10.869 6.216 1.00 11.91 C ATOM 170 C LYS A 11 -3.928 -10.477 5.592 1.00 10.18 C ATOM 171 O LYS A 11 -3.706 -9.318 5.220 1.00 9.10 O ATOM 172 CB LYS A 11 -6.315 -11.014 5.031 1.00 13.43 C ATOM 173 CG LYS A 11 -6.020 -12.238 4.203 1.00 16.69 C ATOM 174 CD LYS A 11 -7.136 -12.455 3.160 1.00 17.92 C ATOM 175 CE LYS A 11 -7.098 -11.554 1.919 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.166 -11.891 0.881 1.00 21.93 N ATOM 0 H LYS A 11 -6.602 -9.347 6.927 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.232 -11.806 6.769 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.330 -11.074 5.424 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.270 -10.126 4.400 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.059 -12.124 3.701 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.940 -13.113 4.849 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.097 -13.493 2.829 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.097 -12.314 3.654 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.222 -10.517 2.230 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.115 -11.632 1.454 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.759 -11.814 -0.073 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.506 -12.862 1.035 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.961 -11.227 0.973 1.00 21.93 H new ATOM 190 N THR A 12 -2.955 -11.395 5.496 1.00 9.63 N ATOM 191 CA THR A 12 -1.686 -10.987 4.876 1.00 9.85 C ATOM 192 C THR A 12 -1.816 -11.038 3.372 1.00 11.66 C ATOM 193 O THR A 12 -1.934 -12.115 2.822 1.00 12.33 O ATOM 194 CB THR A 12 -0.518 -11.931 5.203 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.333 -12.028 6.598 1.00 10.91 O ATOM 196 CG2 THR A 12 0.708 -11.198 4.679 1.00 9.63 C ATOM 0 H THR A 12 -3.011 -12.362 5.816 1.00 9.63 H new ATOM 0 HA THR A 12 -1.482 -9.990 5.265 1.00 9.85 H new ATOM 0 HB THR A 12 -0.689 -12.923 4.786 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.413 -12.634 6.788 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.599 -11.797 4.868 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.602 -11.033 3.607 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.802 -10.238 5.187 1.00 9.63 H new ATOM 204 N ILE A 13 -1.689 -9.880 2.638 1.00 10.42 N ATOM 205 CA ILE A 13 -1.544 -9.788 1.175 1.00 11.84 C ATOM 206 C ILE A 13 -0.022 -9.768 0.938 1.00 10.55 C ATOM 207 O ILE A 13 0.714 -8.871 1.322 1.00 11.92 O ATOM 208 CB ILE A 13 -2.046 -8.504 0.554 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.421 -8.093 1.122 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.141 -8.819 -0.953 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.038 -6.763 0.584 1.00 16.46 C ATOM 0 H ILE A 13 -1.687 -8.963 3.084 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.115 -10.607 0.736 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.384 -7.664 0.766 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.126 -8.900 0.921 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.330 -8.011 2.205 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.499 -7.939 -1.487 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.156 -9.096 -1.330 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.835 -9.645 -1.109 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.002 -6.590 1.062 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.367 -5.934 0.809 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.176 -6.836 -0.495 1.00 16.46 H new ATOM 223 N THR A 14 0.512 -10.807 0.279 1.00 9.39 N ATOM 224 CA THR A 14 1.925 -10.905 -0.127 1.00 9.63 C ATOM 225 C THR A 14 2.026 -10.448 -1.520 1.00 11.20 C ATOM 226 O THR A 14 1.492 -11.065 -2.422 1.00 11.63 O ATOM 227 CB THR A 14 2.584 -12.336 0.131 1.00 10.38 C ATOM 228 OG1 THR A 14 2.549 -12.712 1.524 1.00 16.30 O ATOM 229 CG2 THR A 14 4.020 -12.444 -0.407 1.00 11.66 C ATOM 0 H THR A 14 -0.038 -11.622 0.007 1.00 9.39 H new ATOM 0 HA THR A 14 2.523 -10.255 0.512 1.00 9.63 H new ATOM 0 HB THR A 14 1.968 -13.037 -0.431 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.314 -12.315 1.989 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.412 -13.440 -0.201 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.019 -12.270 -1.483 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.648 -11.699 0.081 1.00 11.66 H new ATOM 237 N LEU A 15 2.683 -9.333 -1.738 1.00 8.29 N ATOM 238 CA LEU A 15 2.888 -8.747 -3.076 1.00 9.03 C ATOM 239 C LEU A 15 4.342 -8.974 -3.546 1.00 8.59 C ATOM 240 O LEU A 15 5.231 -9.291 -2.726 1.00 7.79 O ATOM 241 CB LEU A 15 2.659 -7.203 -3.043 1.00 11.08 C ATOM 242 CG LEU A 15 1.237 -6.836 -2.490 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.238 -5.303 -2.135 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.079 -7.175 -3.491 1.00 15.27 C ATOM 0 H LEU A 15 3.104 -8.785 -0.988 1.00 8.29 H new ATOM 0 HA LEU A 15 2.179 -9.228 -3.750 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.422 -6.736 -2.421 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.774 -6.797 -4.048 1.00 11.08 H new ATOM 0 HG LEU A 15 1.043 -7.442 -1.605 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.260 -5.019 -1.747 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.999 -5.105 -1.380 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.456 -4.722 -3.031 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.878 -6.897 -3.048 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.225 -6.620 -4.418 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.083 -8.244 -3.704 1.00 15.27 H new ATOM 256 N GLU A 16 4.589 -8.736 -4.839 1.00 11.04 N ATOM 257 CA GLU A 16 5.864 -8.649 -5.421 1.00 11.50 C ATOM 258 C GLU A 16 5.940 -7.271 -5.963 1.00 10.13 C ATOM 259 O GLU A 16 5.110 -6.903 -6.836 1.00 9.83 O ATOM 260 CB GLU A 16 6.092 -9.789 -6.436 1.00 17.22 C ATOM 261 CG GLU A 16 7.479 -9.750 -7.060 1.00 23.33 C ATOM 262 CD GLU A 16 8.620 -10.063 -6.023 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.398 -10.826 -5.081 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.776 -9.671 -6.277 1.00 28.90 O ATOM 0 H GLU A 16 3.839 -8.596 -5.516 1.00 11.04 H new ATOM 0 HA GLU A 16 6.683 -8.798 -4.718 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.949 -10.748 -5.938 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.342 -9.724 -7.224 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.527 -10.472 -7.875 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.649 -8.765 -7.496 1.00 23.33 H new ATOM 271 N VAL A 17 6.929 -6.417 -5.568 1.00 8.99 N ATOM 272 CA VAL A 17 7.063 -5.062 -6.089 1.00 8.85 C ATOM 273 C VAL A 17 8.573 -4.770 -6.278 1.00 8.04 C ATOM 274 O VAL A 17 9.445 -5.651 -6.082 1.00 8.99 O ATOM 275 CB VAL A 17 6.485 -4.038 -5.114 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.980 -4.198 -4.828 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.297 -4.262 -3.793 1.00 10.54 C ATOM 0 H VAL A 17 7.642 -6.666 -4.882 1.00 8.99 H new ATOM 0 HA VAL A 17 6.520 -4.986 -7.031 1.00 8.85 H new ATOM 0 HB VAL A 17 6.573 -3.038 -5.540 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.659 -3.428 -4.126 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.420 -4.097 -5.758 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.794 -5.182 -4.397 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.949 -3.566 -3.030 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.151 -5.285 -3.445 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.357 -4.091 -3.984 1.00 10.54 H new ATOM 287 N GLU A 18 8.943 -3.585 -6.713 1.00 7.29 N ATOM 288 CA GLU A 18 10.312 -3.085 -6.715 1.00 7.08 C ATOM 289 C GLU A 18 10.456 -1.812 -5.774 1.00 6.45 C ATOM 290 O GLU A 18 9.422 -1.117 -5.677 1.00 5.28 O ATOM 291 CB GLU A 18 10.679 -2.664 -8.195 1.00 10.28 C ATOM 292 CG GLU A 18 10.520 -3.761 -9.224 1.00 12.65 C ATOM 293 CD GLU A 18 11.123 -5.066 -8.738 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.393 -5.016 -8.471 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.514 -6.163 -8.864 1.00 14.33 O ATOM 0 H GLU A 18 8.276 -2.912 -7.091 1.00 7.29 H new ATOM 0 HA GLU A 18 10.977 -3.866 -6.346 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.052 -1.820 -8.484 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.711 -2.315 -8.213 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.462 -3.906 -9.443 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.000 -3.461 -10.155 1.00 12.65 H new ATOM 302 N PRO A 19 11.571 -1.533 -5.106 1.00 7.24 N ATOM 303 CA PRO A 19 11.757 -0.323 -4.283 1.00 7.07 C ATOM 304 C PRO A 19 11.479 1.010 -4.966 1.00 6.65 C ATOM 305 O PRO A 19 11.197 2.035 -4.375 1.00 6.37 O ATOM 306 CB PRO A 19 13.181 -0.461 -3.670 1.00 7.61 C ATOM 307 CG PRO A 19 13.957 -1.113 -4.820 1.00 8.16 C ATOM 308 CD PRO A 19 12.879 -2.081 -5.392 1.00 7.49 C ATOM 0 HA PRO A 19 10.991 -0.280 -3.509 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.601 0.505 -3.390 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.182 -1.081 -2.773 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.290 -0.384 -5.558 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.844 -1.642 -4.472 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.012 -2.203 -6.467 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.982 -3.069 -4.944 1.00 7.49 H new ATOM 316 N SER A 20 11.409 1.010 -6.273 1.00 6.80 N ATOM 317 CA SER A 20 11.223 2.229 -7.040 1.00 6.28 C ATOM 318 C SER A 20 9.770 2.303 -7.517 1.00 8.45 C ATOM 319 O SER A 20 9.369 3.328 -8.073 1.00 7.26 O ATOM 320 CB SER A 20 12.060 2.306 -8.321 1.00 8.57 C ATOM 321 OG SER A 20 13.468 2.273 -7.946 1.00 11.13 O ATOM 0 H SER A 20 11.479 0.166 -6.842 1.00 6.80 H new ATOM 0 HA SER A 20 11.521 3.033 -6.367 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.823 1.472 -8.981 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.834 3.221 -8.869 1.00 8.57 H new ATOM 0 HG SER A 20 14.023 2.320 -8.753 1.00 11.13 H new ATOM 327 N ASP A 21 8.964 1.233 -7.314 1.00 7.50 N ATOM 328 CA ASP A 21 7.514 1.235 -7.477 1.00 7.70 C ATOM 329 C ASP A 21 6.867 2.344 -6.574 1.00 7.08 C ATOM 330 O ASP A 21 7.118 2.452 -5.349 1.00 8.11 O ATOM 331 CB ASP A 21 6.758 -0.131 -7.268 1.00 11.00 C ATOM 332 CG ASP A 21 7.133 -1.087 -8.357 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.717 -0.712 -9.453 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.790 -2.292 -8.131 1.00 18.03 O ATOM 0 H ASP A 21 9.328 0.325 -7.024 1.00 7.50 H new ATOM 0 HA ASP A 21 7.382 1.445 -8.538 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.013 -0.554 -6.296 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.681 0.034 -7.271 1.00 11.00 H new ATOM 339 N THR A 22 5.980 3.140 -7.160 1.00 5.37 N ATOM 340 CA THR A 22 5.220 4.193 -6.576 1.00 6.01 C ATOM 341 C THR A 22 4.082 3.616 -5.743 1.00 8.01 C ATOM 342 O THR A 22 3.634 2.497 -5.930 1.00 8.11 O ATOM 343 CB THR A 22 4.645 5.252 -7.513 1.00 8.92 C ATOM 344 OG1 THR A 22 3.850 4.659 -8.555 1.00 10.22 O ATOM 345 CG2 THR A 22 5.863 6.056 -8.098 1.00 9.65 C ATOM 0 H THR A 22 5.769 3.038 -8.153 1.00 5.37 H new ATOM 0 HA THR A 22 5.959 4.725 -5.978 1.00 6.01 H new ATOM 0 HB THR A 22 3.974 5.919 -6.972 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.495 5.363 -9.137 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.498 6.827 -8.776 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.417 6.522 -7.283 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.520 5.377 -8.641 1.00 9.65 H new ATOM 353 N ILE A 23 3.544 4.392 -4.735 1.00 8.32 N ATOM 354 CA ILE A 23 2.526 3.949 -3.833 1.00 9.92 C ATOM 355 C ILE A 23 1.328 3.645 -4.673 1.00 10.01 C ATOM 356 O ILE A 23 0.732 2.644 -4.452 1.00 8.71 O ATOM 357 CB ILE A 23 2.148 5.082 -2.805 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.314 5.441 -1.876 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.894 4.690 -1.959 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.171 4.337 -1.303 1.00 12.30 C ATOM 0 H ILE A 23 3.842 5.352 -4.563 1.00 8.32 H new ATOM 0 HA ILE A 23 2.872 3.084 -3.267 1.00 9.92 H new ATOM 0 HB ILE A 23 1.911 5.965 -3.399 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.972 6.116 -2.423 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.904 6.005 -1.038 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.661 5.493 -1.260 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.044 4.528 -2.622 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.101 3.775 -1.404 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.946 4.769 -0.670 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.550 3.666 -0.710 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.636 3.778 -2.115 1.00 12.30 H new ATOM 372 N GLU A 24 1.043 4.434 -5.690 1.00 9.54 N ATOM 373 CA GLU A 24 -0.030 4.198 -6.665 1.00 11.81 C ATOM 374 C GLU A 24 0.094 2.909 -7.441 1.00 11.14 C ATOM 375 O GLU A 24 -0.861 2.148 -7.564 1.00 10.62 O ATOM 376 CB GLU A 24 -0.048 5.404 -7.588 1.00 19.24 C ATOM 377 CG GLU A 24 -1.145 5.334 -8.698 1.00 27.76 C ATOM 378 CD GLU A 24 -1.199 6.553 -9.653 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.135 7.089 -10.057 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.329 6.931 -10.087 1.00 36.51 O ATOM 0 H GLU A 24 1.565 5.291 -5.876 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.971 4.079 -6.127 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.205 6.303 -6.992 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.929 5.502 -8.062 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.981 4.435 -9.292 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.118 5.226 -8.218 1.00 27.76 H new ATOM 387 N ASN A 25 1.286 2.533 -7.832 1.00 9.43 N ATOM 388 CA ASN A 25 1.613 1.310 -8.521 1.00 10.96 C ATOM 389 C ASN A 25 1.375 0.110 -7.668 1.00 9.68 C ATOM 390 O ASN A 25 0.831 -0.896 -8.076 1.00 9.33 O ATOM 391 CB ASN A 25 3.000 1.242 -9.122 1.00 16.78 C ATOM 392 CG ASN A 25 3.311 0.222 -10.209 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.756 -0.921 -9.989 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.980 0.561 -11.462 1.00 24.70 N ATOM 0 H ASN A 25 2.109 3.113 -7.666 1.00 9.43 H new ATOM 0 HA ASN A 25 0.926 1.311 -9.367 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.225 2.228 -9.529 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.699 1.067 -8.304 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.094 -0.113 -12.219 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.614 1.493 -11.659 1.00 24.70 H new ATOM 401 N VAL A 26 1.595 0.275 -6.391 1.00 6.52 N ATOM 402 CA VAL A 26 1.435 -0.751 -5.363 1.00 5.53 C ATOM 403 C VAL A 26 -0.161 -0.847 -5.162 1.00 4.42 C ATOM 404 O VAL A 26 -0.721 -1.948 -5.100 1.00 3.40 O ATOM 405 CB VAL A 26 2.175 -0.358 -4.137 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.016 -1.297 -2.942 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.641 -0.221 -4.565 1.00 8.12 C ATOM 0 H VAL A 26 1.906 1.168 -6.008 1.00 6.52 H new ATOM 0 HA VAL A 26 1.846 -1.725 -5.628 1.00 5.53 H new ATOM 0 HB VAL A 26 1.758 0.574 -3.756 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.597 -0.917 -2.101 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.964 -1.353 -2.661 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.373 -2.291 -3.210 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.246 0.068 -3.705 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.997 -1.175 -4.955 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.724 0.541 -5.340 1.00 8.12 H new ATOM 417 N LYS A 27 -0.890 0.287 -5.067 1.00 2.64 N ATOM 418 CA LYS A 27 -2.343 0.296 -4.879 1.00 4.14 C ATOM 419 C LYS A 27 -3.014 -0.320 -6.156 1.00 5.58 C ATOM 420 O LYS A 27 -4.006 -1.016 -6.134 1.00 4.11 O ATOM 421 CB LYS A 27 -2.914 1.690 -4.600 1.00 3.97 C ATOM 422 CG LYS A 27 -2.334 2.509 -3.372 1.00 7.45 C ATOM 423 CD LYS A 27 -3.335 3.509 -2.960 1.00 9.02 C ATOM 424 CE LYS A 27 -3.224 4.805 -3.848 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.131 5.863 -3.307 1.00 15.47 N ATOM 0 H LYS A 27 -0.479 1.219 -5.120 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.566 -0.299 -3.993 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.773 2.292 -5.497 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.989 1.585 -4.452 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.106 1.838 -2.544 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.401 3.000 -3.651 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.336 3.087 -3.048 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.189 3.767 -1.911 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.195 5.164 -3.858 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.491 4.575 -4.879 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.994 6.744 -3.842 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.119 5.553 -3.398 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.911 6.029 -2.304 1.00 15.47 H new ATOM 439 N ALA A 28 -2.474 -0.039 -7.359 1.00 6.61 N ATOM 440 CA ALA A 28 -2.960 -0.686 -8.634 1.00 7.74 C ATOM 441 C ALA A 28 -2.676 -2.203 -8.610 1.00 9.17 C ATOM 442 O ALA A 28 -3.564 -2.924 -9.072 1.00 11.45 O ATOM 443 CB ALA A 28 -2.187 0.068 -9.748 1.00 7.68 C ATOM 0 H ALA A 28 -1.709 0.622 -7.493 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.037 -0.613 -8.786 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.471 -0.331 -10.722 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.431 1.130 -9.705 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.115 -0.065 -9.601 1.00 7.68 H new ATOM 449 N LYS A 29 -1.528 -2.627 -8.028 1.00 8.96 N ATOM 450 CA LYS A 29 -1.237 -4.025 -7.760 1.00 7.90 C ATOM 451 C LYS A 29 -2.160 -4.721 -6.720 1.00 6.92 C ATOM 452 O LYS A 29 -2.645 -5.822 -6.841 1.00 6.87 O ATOM 453 CB LYS A 29 0.207 -4.176 -7.338 1.00 10.28 C ATOM 454 CG LYS A 29 0.689 -5.585 -7.178 1.00 14.94 C ATOM 455 CD LYS A 29 2.195 -5.735 -7.434 1.00 19.69 C ATOM 456 CE LYS A 29 2.676 -5.641 -8.957 1.00 22.63 C ATOM 457 NZ LYS A 29 4.138 -5.700 -8.993 1.00 24.98 N ATOM 0 H LYS A 29 -0.785 -1.992 -7.736 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.436 -4.537 -8.702 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.837 -3.677 -8.075 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.347 -3.653 -6.392 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.461 -5.929 -6.169 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.143 -6.231 -7.866 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.716 -4.965 -6.864 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.514 -6.698 -7.035 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.251 -6.459 -9.539 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.324 -4.713 -9.408 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.514 -4.791 -9.332 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.501 -5.890 -8.037 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.439 -6.460 -9.635 1.00 24.98 H new ATOM 471 N ILE A 30 -2.458 -4.003 -5.631 1.00 4.57 N ATOM 472 CA ILE A 30 -3.350 -4.500 -4.588 1.00 5.58 C ATOM 473 C ILE A 30 -4.786 -4.527 -5.147 1.00 7.26 C ATOM 474 O ILE A 30 -5.526 -5.471 -4.880 1.00 9.46 O ATOM 475 CB ILE A 30 -3.338 -3.577 -3.390 1.00 5.36 C ATOM 476 CG1 ILE A 30 -1.954 -3.681 -2.738 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.400 -4.005 -2.359 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.699 -2.667 -1.632 1.00 2.00 C ATOM 0 H ILE A 30 -2.089 -3.069 -5.453 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.017 -5.493 -4.285 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.557 -2.559 -3.712 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.834 -4.684 -2.329 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.193 -3.558 -3.509 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.373 -3.327 -1.506 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.388 -3.971 -2.819 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.191 -5.020 -2.022 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.697 -2.813 -1.228 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.783 -1.658 -2.037 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.434 -2.802 -0.838 1.00 2.00 H new ATOM 490 N GLN A 31 -5.167 -3.536 -6.015 1.00 7.06 N ATOM 491 CA GLN A 31 -6.388 -3.733 -6.822 1.00 8.67 C ATOM 492 C GLN A 31 -6.369 -4.914 -7.807 1.00 10.90 C ATOM 493 O GLN A 31 -7.383 -5.622 -7.913 1.00 9.63 O ATOM 494 CB GLN A 31 -6.582 -2.492 -7.729 1.00 9.12 C ATOM 495 CG GLN A 31 -7.936 -2.449 -8.525 1.00 10.76 C ATOM 496 CD GLN A 31 -8.119 -1.249 -9.367 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.092 -0.750 -9.913 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.328 -0.721 -9.646 1.00 14.76 N ATOM 0 H GLN A 31 -4.675 -2.654 -6.160 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.167 -3.915 -6.081 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.514 -1.596 -7.111 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.759 -2.451 -8.442 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.997 -3.334 -9.159 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.761 -2.507 -7.815 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.166 -1.111 -9.215 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.404 0.068 -10.288 1.00 14.76 H new ATOM 507 N ASP A 32 -5.208 -5.265 -8.429 1.00 10.93 N ATOM 508 CA ASP A 32 -5.077 -6.462 -9.232 1.00 14.01 C ATOM 509 C ASP A 32 -5.217 -7.727 -8.363 1.00 14.04 C ATOM 510 O ASP A 32 -5.823 -8.745 -8.730 1.00 13.39 O ATOM 511 CB ASP A 32 -3.708 -6.377 -9.986 1.00 18.01 C ATOM 512 CG ASP A 32 -3.605 -7.477 -11.028 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.368 -7.539 -12.059 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.721 -8.345 -10.770 1.00 26.29 O ATOM 0 H ASP A 32 -4.353 -4.711 -8.373 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.878 -6.532 -9.968 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.610 -5.403 -10.466 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.888 -6.465 -9.274 1.00 18.01 H new ATOM 519 N LYS A 33 -4.584 -7.769 -7.152 1.00 14.22 N ATOM 520 CA LYS A 33 -4.781 -8.911 -6.260 1.00 14.00 C ATOM 521 C LYS A 33 -6.169 -8.938 -5.591 1.00 12.37 C ATOM 522 O LYS A 33 -6.854 -9.977 -5.651 1.00 12.17 O ATOM 523 CB LYS A 33 -3.690 -8.784 -5.192 1.00 18.62 C ATOM 524 CG LYS A 33 -3.591 -9.862 -4.132 1.00 24.00 C ATOM 525 CD LYS A 33 -2.946 -11.154 -4.642 1.00 27.61 C ATOM 526 CE LYS A 33 -1.415 -11.038 -4.887 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.738 -12.322 -5.118 1.00 30.06 N ATOM 0 H LYS A 33 -3.959 -7.045 -6.797 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.722 -9.838 -6.831 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.729 -8.732 -5.704 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.832 -7.830 -4.684 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.012 -9.482 -3.290 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.590 -10.086 -3.757 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.130 -11.950 -3.920 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.432 -11.449 -5.572 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.245 -10.392 -5.748 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.958 -10.550 -4.027 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.277 -12.156 -5.272 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.866 -12.936 -4.289 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.145 -12.783 -5.957 1.00 30.06 H new ATOM 541 N GLU A 34 -6.695 -7.870 -4.966 1.00 10.11 N ATOM 542 CA GLU A 34 -7.930 -7.952 -4.133 1.00 10.07 C ATOM 543 C GLU A 34 -9.164 -7.208 -4.684 1.00 9.32 C ATOM 544 O GLU A 34 -10.232 -7.180 -4.057 1.00 11.61 O ATOM 545 CB GLU A 34 -7.636 -7.405 -2.681 1.00 14.77 C ATOM 546 CG GLU A 34 -6.820 -8.456 -1.803 1.00 18.75 C ATOM 547 CD GLU A 34 -7.566 -9.653 -1.333 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.597 -9.469 -0.656 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.118 -10.804 -1.576 1.00 25.19 O ATOM 0 H GLU A 34 -6.291 -6.935 -5.016 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.187 -9.011 -4.138 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.072 -6.475 -2.751 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.577 -7.170 -2.184 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.964 -8.795 -2.386 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.425 -7.937 -0.930 1.00 18.75 H new ATOM 556 N GLY A 35 -9.135 -6.504 -5.896 1.00 7.22 N ATOM 557 CA GLY A 35 -10.323 -5.791 -6.459 1.00 6.29 C ATOM 558 C GLY A 35 -10.592 -4.442 -5.854 1.00 6.93 C ATOM 559 O GLY A 35 -11.561 -3.852 -6.338 1.00 7.41 O ATOM 0 H GLY A 35 -8.300 -6.430 -6.477 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.182 -5.670 -7.533 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.204 -6.418 -6.322 1.00 6.29 H new ATOM 563 N ILE A 36 -9.763 -3.950 -4.893 1.00 5.86 N ATOM 564 CA ILE A 36 -10.131 -2.659 -4.192 1.00 6.07 C ATOM 565 C ILE A 36 -9.785 -1.467 -5.013 1.00 6.36 C ATOM 566 O ILE A 36 -8.658 -1.394 -5.476 1.00 6.18 O ATOM 567 CB ILE A 36 -9.454 -2.570 -2.811 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.620 -3.900 -2.089 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.132 -1.401 -1.956 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.993 -3.832 -0.650 1.00 9.49 C ATOM 0 H ILE A 36 -8.890 -4.382 -4.591 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.212 -2.666 -4.052 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.393 -2.351 -2.934 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.678 -4.152 -2.019 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.141 -4.693 -2.663 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.652 -1.339 -0.979 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.014 -0.452 -2.479 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.193 -1.614 -1.826 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.122 -4.792 -0.151 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.930 -3.603 -0.727 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.491 -3.053 -0.073 1.00 9.49 H new ATOM 582 N PRO A 37 -10.721 -0.554 -5.332 1.00 8.65 N ATOM 583 CA PRO A 37 -10.472 0.712 -6.057 1.00 9.18 C ATOM 584 C PRO A 37 -9.283 1.574 -5.444 1.00 9.85 C ATOM 585 O PRO A 37 -9.260 1.755 -4.236 1.00 8.51 O ATOM 586 CB PRO A 37 -11.747 1.504 -6.017 1.00 11.42 C ATOM 587 CG PRO A 37 -12.835 0.445 -5.731 1.00 9.27 C ATOM 588 CD PRO A 37 -12.171 -0.614 -4.889 1.00 8.33 C ATOM 0 HA PRO A 37 -10.167 0.471 -7.075 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.719 2.267 -5.239 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.928 2.017 -6.961 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.682 0.887 -5.206 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.221 0.021 -6.658 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.275 -0.405 -3.824 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.605 -1.598 -5.065 1.00 8.33 H new ATOM 596 N PRO A 38 -8.227 2.048 -6.111 1.00 8.71 N ATOM 597 CA PRO A 38 -7.048 2.723 -5.521 1.00 9.08 C ATOM 598 C PRO A 38 -7.278 3.943 -4.652 1.00 9.28 C ATOM 599 O PRO A 38 -6.397 4.226 -3.822 1.00 6.50 O ATOM 600 CB PRO A 38 -5.933 2.857 -6.557 1.00 10.31 C ATOM 601 CG PRO A 38 -6.238 1.731 -7.550 1.00 10.81 C ATOM 602 CD PRO A 38 -7.784 1.519 -7.387 1.00 12.00 C ATOM 0 HA PRO A 38 -6.709 2.044 -4.739 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.948 3.834 -7.040 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.948 2.739 -6.105 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.975 2.011 -8.570 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.680 0.825 -7.315 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.315 2.015 -8.199 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.022 0.457 -7.452 1.00 12.00 H new ATOM 610 N ASP A 39 -8.368 4.615 -4.823 1.00 11.20 N ATOM 611 CA ASP A 39 -8.622 5.835 -4.037 1.00 14.96 C ATOM 612 C ASP A 39 -9.393 5.569 -2.799 1.00 13.99 C ATOM 613 O ASP A 39 -9.434 6.271 -1.829 1.00 13.75 O ATOM 614 CB ASP A 39 -9.470 6.739 -4.947 1.00 24.16 C ATOM 615 CG ASP A 39 -8.762 7.101 -6.202 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.800 7.901 -6.200 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.233 6.571 -7.270 1.00 35.55 O ATOM 0 H ASP A 39 -9.104 4.367 -5.484 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.674 6.277 -3.731 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.403 6.231 -5.192 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.735 7.648 -4.407 1.00 24.16 H new ATOM 622 N GLN A 40 -9.957 4.339 -2.706 1.00 11.60 N ATOM 623 CA GLN A 40 -10.595 3.797 -1.531 1.00 10.76 C ATOM 624 C GLN A 40 -9.613 3.203 -0.582 1.00 8.01 C ATOM 625 O GLN A 40 -9.809 3.328 0.653 1.00 8.96 O ATOM 626 CB GLN A 40 -11.606 2.686 -1.954 1.00 11.14 C ATOM 627 CG GLN A 40 -12.609 2.452 -0.787 1.00 14.85 C ATOM 628 CD GLN A 40 -13.420 1.212 -1.184 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.320 0.182 -0.511 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.300 1.331 -2.205 1.00 18.16 N ATOM 0 H GLN A 40 -9.968 3.689 -3.492 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.103 4.620 -1.029 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.140 2.985 -2.856 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.076 1.762 -2.188 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.084 2.292 0.155 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.258 3.317 -0.648 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.350 2.200 -2.736 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.913 0.551 -2.443 1.00 18.16 H new ATOM 639 N GLN A 41 -8.526 2.608 -1.092 1.00 6.52 N ATOM 640 CA GLN A 41 -7.361 2.147 -0.350 1.00 3.87 C ATOM 641 C GLN A 41 -6.565 3.200 0.261 1.00 4.79 C ATOM 642 O GLN A 41 -6.191 4.115 -0.418 1.00 6.34 O ATOM 643 CB GLN A 41 -6.343 1.451 -1.242 1.00 4.20 C ATOM 644 CG GLN A 41 -6.784 0.179 -2.035 1.00 3.20 C ATOM 645 CD GLN A 41 -5.663 -0.330 -3.029 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.491 -0.307 -2.673 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.045 -0.766 -4.286 1.00 7.13 N ATOM 0 H GLN A 41 -8.439 2.429 -2.092 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.822 1.501 0.398 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.983 2.183 -1.965 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.493 1.173 -0.619 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.031 -0.617 -1.332 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.691 0.401 -2.597 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.031 -0.771 -4.546 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.340 -1.083 -4.952 1.00 7.13 H new ATOM 656 N ARG A 42 -6.359 3.144 1.593 1.00 5.73 N ATOM 657 CA ARG A 42 -5.361 3.990 2.206 1.00 6.97 C ATOM 658 C ARG A 42 -4.239 3.157 2.871 1.00 7.15 C ATOM 659 O ARG A 42 -4.467 2.397 3.798 1.00 7.33 O ATOM 660 CB ARG A 42 -6.005 4.940 3.250 1.00 13.23 C ATOM 661 CG ARG A 42 -6.891 5.983 2.562 1.00 21.27 C ATOM 662 CD ARG A 42 -7.730 6.733 3.567 1.00 26.14 C ATOM 663 NE ARG A 42 -8.131 8.095 3.039 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.612 9.075 3.756 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.995 8.918 4.983 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.597 10.311 3.294 1.00 36.39 N ATOM 0 H ARG A 42 -6.864 2.533 2.235 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.915 4.589 1.412 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.599 4.361 3.957 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.225 5.440 3.823 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.268 6.685 2.008 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.540 5.492 1.837 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.623 6.154 3.803 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.171 6.850 4.496 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.016 8.261 2.039 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.927 8.001 5.425 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.365 9.711 5.507 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.208 10.506 2.371 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.974 11.071 3.859 1.00 36.39 H new ATOM 680 N LEU A 43 -2.970 3.269 2.454 1.00 4.65 N ATOM 681 CA LEU A 43 -1.881 2.415 3.000 1.00 3.51 C ATOM 682 C LEU A 43 -1.134 3.118 4.165 1.00 5.56 C ATOM 683 O LEU A 43 -0.693 4.250 3.985 1.00 4.19 O ATOM 684 CB LEU A 43 -0.940 2.067 1.828 1.00 3.74 C ATOM 685 CG LEU A 43 -1.587 1.142 0.759 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.664 1.186 -0.420 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.919 -0.269 1.279 1.00 6.41 C ATOM 0 H LEU A 43 -2.663 3.935 1.745 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.291 1.501 3.429 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.616 2.990 1.348 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.047 1.582 2.223 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.577 1.496 0.470 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.059 0.554 -1.215 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.581 2.212 -0.779 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.321 0.824 -0.125 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.367 -0.856 0.477 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.005 -0.756 1.618 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.620 -0.195 2.110 1.00 6.41 H new ATOM 699 N ILE A 44 -0.921 2.351 5.204 1.00 4.58 N ATOM 700 CA ILE A 44 -0.362 2.851 6.443 1.00 5.55 C ATOM 701 C ILE A 44 0.979 2.215 6.786 1.00 5.46 C ATOM 702 O ILE A 44 1.087 1.001 6.773 1.00 6.04 O ATOM 703 CB ILE A 44 -1.361 2.554 7.593 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.784 3.233 7.264 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.806 3.016 8.950 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.743 4.784 7.346 1.00 13.90 C ATOM 0 H ILE A 44 -1.131 1.353 5.218 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.195 3.921 6.319 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.504 1.476 7.667 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.102 2.935 6.265 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.532 2.856 7.962 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.530 2.793 9.734 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.127 2.493 9.159 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.621 4.090 8.921 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.729 5.187 7.115 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.454 5.088 8.352 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.017 5.167 6.629 1.00 13.90 H new ATOM 718 N PHE A 45 2.004 3.010 6.963 1.00 6.75 N ATOM 719 CA PHE A 45 3.300 2.511 7.367 1.00 4.70 C ATOM 720 C PHE A 45 4.000 3.592 8.198 1.00 6.34 C ATOM 721 O PHE A 45 3.897 4.789 7.891 1.00 5.45 O ATOM 722 CB PHE A 45 4.163 2.052 6.114 1.00 5.51 C ATOM 723 CG PHE A 45 5.398 1.380 6.461 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.495 0.099 6.939 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.627 2.098 6.291 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.721 -0.526 7.187 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.867 1.539 6.662 1.00 6.64 C ATOM 728 CZ PHE A 45 7.902 0.203 7.022 1.00 6.84 C ATOM 0 H PHE A 45 1.967 4.021 6.832 1.00 6.75 H new ATOM 0 HA PHE A 45 3.179 1.620 7.982 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.561 1.386 5.496 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.396 2.927 5.507 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.586 -0.451 7.132 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.602 3.092 5.868 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.755 -1.559 7.502 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.766 2.138 6.665 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.854 -0.282 7.177 1.00 6.84 H new ATOM 738 N ALA A 46 4.770 3.225 9.310 1.00 6.53 N ATOM 739 CA ALA A 46 5.544 4.159 10.085 1.00 7.15 C ATOM 740 C ALA A 46 4.863 5.431 10.613 1.00 9.00 C ATOM 741 O ALA A 46 5.369 6.528 10.556 1.00 11.15 O ATOM 742 CB ALA A 46 6.744 4.594 9.261 1.00 8.99 C ATOM 0 H ALA A 46 4.834 2.265 9.648 1.00 6.53 H new ATOM 0 HA ALA A 46 5.777 3.591 10.985 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.342 5.303 9.834 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.351 3.723 9.015 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.401 5.069 8.342 1.00 8.99 H new ATOM 748 N GLY A 47 3.683 5.229 11.139 1.00 9.35 N ATOM 749 CA GLY A 47 2.848 6.278 11.677 1.00 11.68 C ATOM 750 C GLY A 47 2.116 7.167 10.790 1.00 11.14 C ATOM 751 O GLY A 47 1.463 8.063 11.308 1.00 13.93 O ATOM 0 H GLY A 47 3.261 4.303 11.208 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.117 5.803 12.332 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.482 6.902 12.307 1.00 11.68 H new ATOM 755 N LYS A 48 2.179 7.006 9.426 1.00 10.47 N ATOM 756 CA LYS A 48 1.586 8.004 8.478 1.00 8.82 C ATOM 757 C LYS A 48 0.943 7.225 7.349 1.00 7.68 C ATOM 758 O LYS A 48 1.074 5.959 7.299 1.00 6.47 O ATOM 759 CB LYS A 48 2.799 8.778 7.878 1.00 9.74 C ATOM 760 CG LYS A 48 3.798 7.959 7.016 1.00 14.14 C ATOM 761 CD LYS A 48 5.173 8.630 6.954 1.00 16.32 C ATOM 762 CE LYS A 48 5.952 8.586 8.203 1.00 20.04 C ATOM 763 NZ LYS A 48 7.268 9.149 7.999 1.00 23.92 N ATOM 0 H LYS A 48 2.626 6.210 8.970 1.00 10.47 H new ATOM 0 HA LYS A 48 0.863 8.664 8.958 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.412 9.593 7.267 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.353 9.231 8.700 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.900 6.956 7.431 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.402 7.847 6.007 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.756 8.155 6.165 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.038 9.673 6.666 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.430 9.140 8.984 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.040 7.556 8.547 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.804 9.110 8.889 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.769 8.604 7.269 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.178 10.139 7.692 1.00 23.92 H new ATOM 777 N GLN A 49 0.152 7.904 6.517 1.00 8.89 N ATOM 778 CA GLN A 49 -0.359 7.361 5.327 1.00 7.18 C ATOM 779 C GLN A 49 0.529 7.561 4.145 1.00 8.23 C ATOM 780 O GLN A 49 1.070 8.632 3.891 1.00 9.70 O ATOM 781 CB GLN A 49 -1.731 7.917 4.977 1.00 11.67 C ATOM 782 CG GLN A 49 -2.506 7.063 3.887 1.00 15.82 C ATOM 783 CD GLN A 49 -3.837 7.707 3.447 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.713 7.953 4.299 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.043 8.024 2.152 1.00 20.67 N ATOM 0 H GLN A 49 -0.139 8.867 6.685 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.428 6.294 5.538 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.335 7.967 5.883 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.617 8.938 4.613 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.866 6.933 3.014 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.705 6.069 4.287 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.324 7.822 1.457 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.917 8.466 1.868 1.00 20.67 H new ATOM 794 N LEU A 50 0.768 6.494 3.381 1.00 6.51 N ATOM 795 CA LEU A 50 1.545 6.499 2.175 1.00 7.41 C ATOM 796 C LEU A 50 0.824 7.171 0.949 1.00 8.27 C ATOM 797 O LEU A 50 -0.392 7.129 0.823 1.00 8.34 O ATOM 798 CB LEU A 50 2.031 5.120 1.739 1.00 7.13 C ATOM 799 CG LEU A 50 2.571 4.236 2.915 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.952 2.891 2.313 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.779 4.941 3.665 1.00 9.11 C ATOM 0 H LEU A 50 0.402 5.570 3.610 1.00 6.51 H new ATOM 0 HA LEU A 50 2.405 7.105 2.458 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.211 4.595 1.249 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.820 5.241 0.997 1.00 7.13 H new ATOM 0 HG LEU A 50 1.811 4.094 3.683 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.335 2.237 3.096 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.073 2.434 1.857 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.720 3.037 1.554 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.129 4.300 4.474 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.593 5.113 2.961 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.446 5.894 4.075 1.00 9.11 H new ATOM 813 N GLU A 51 1.552 7.947 0.107 1.00 9.43 N ATOM 814 CA GLU A 51 1.073 8.943 -0.847 1.00 11.90 C ATOM 815 C GLU A 51 1.468 8.615 -2.284 1.00 11.49 C ATOM 816 O GLU A 51 2.572 8.480 -2.657 1.00 9.88 O ATOM 817 CB GLU A 51 1.539 10.332 -0.433 1.00 16.56 C ATOM 818 CG GLU A 51 0.762 11.445 -1.151 1.00 26.06 C ATOM 819 CD GLU A 51 1.436 12.750 -0.898 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.423 13.093 -1.638 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.060 13.508 0.077 1.00 32.13 O ATOM 0 H GLU A 51 2.569 7.876 0.087 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.017 8.924 -0.827 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.421 10.446 0.645 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.602 10.436 -0.650 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.720 11.244 -2.222 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.267 11.477 -0.792 1.00 26.06 H new ATOM 828 N ASP A 52 0.481 8.636 -3.185 1.00 12.71 N ATOM 829 CA ASP A 52 0.456 7.937 -4.461 1.00 16.56 C ATOM 830 C ASP A 52 1.580 8.157 -5.394 1.00 15.83 C ATOM 831 O ASP A 52 2.023 7.225 -6.096 1.00 17.21 O ATOM 832 CB ASP A 52 -0.822 8.406 -5.217 1.00 21.05 C ATOM 833 CG ASP A 52 -2.019 8.441 -4.387 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.183 9.144 -3.370 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.017 7.733 -4.760 1.00 25.82 O ATOM 0 H ASP A 52 -0.370 9.176 -3.028 1.00 12.71 H new ATOM 0 HA ASP A 52 0.504 6.883 -4.189 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.646 9.401 -5.626 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.997 7.740 -6.062 1.00 21.05 H new ATOM 840 N GLY A 53 2.002 9.407 -5.503 1.00 15.00 N ATOM 841 CA GLY A 53 3.102 9.732 -6.460 1.00 11.77 C ATOM 842 C GLY A 53 4.486 9.701 -5.879 1.00 11.10 C ATOM 843 O GLY A 53 5.425 9.989 -6.580 1.00 11.25 O ATOM 0 H GLY A 53 1.633 10.198 -4.975 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.058 9.028 -7.291 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.921 10.724 -6.873 1.00 11.77 H new ATOM 847 N ARG A 54 4.555 9.277 -4.536 1.00 8.53 N ATOM 848 CA ARG A 54 5.862 8.917 -3.881 1.00 9.05 C ATOM 849 C ARG A 54 6.170 7.426 -4.031 1.00 8.96 C ATOM 850 O ARG A 54 5.414 6.648 -4.581 1.00 11.60 O ATOM 851 CB ARG A 54 6.058 9.313 -2.392 1.00 7.97 C ATOM 852 CG ARG A 54 5.287 10.559 -1.934 1.00 9.62 C ATOM 853 CD ARG A 54 5.772 11.235 -0.703 1.00 12.20 C ATOM 854 NE ARG A 54 4.770 12.169 -0.322 1.00 18.23 N ATOM 855 CZ ARG A 54 4.745 12.771 0.877 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.746 12.698 1.716 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.736 13.484 1.213 1.00 23.38 N ATOM 0 H ARG A 54 3.742 9.186 -3.927 1.00 8.53 H new ATOM 0 HA ARG A 54 6.564 9.541 -4.434 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.758 8.471 -1.768 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.121 9.479 -2.215 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.301 11.285 -2.747 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.246 10.275 -1.778 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.947 10.510 0.092 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.720 11.740 -0.888 1.00 12.20 H new ATOM 0 HE ARG A 54 4.035 12.392 -0.993 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.582 12.170 1.467 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.690 13.169 2.619 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.952 13.594 0.570 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.716 13.942 2.124 1.00 23.38 H new ATOM 871 N THR A 55 7.429 7.003 -3.679 1.00 9.05 N ATOM 872 CA THR A 55 7.912 5.616 -3.886 1.00 9.03 C ATOM 873 C THR A 55 8.203 4.929 -2.548 1.00 8.15 C ATOM 874 O THR A 55 8.493 5.589 -1.597 1.00 5.91 O ATOM 875 CB THR A 55 9.177 5.394 -4.733 1.00 11.15 C ATOM 876 OG1 THR A 55 10.311 6.134 -4.185 1.00 11.95 O ATOM 877 CG2 THR A 55 8.892 5.872 -6.198 1.00 11.71 C ATOM 0 H THR A 55 8.122 7.616 -3.249 1.00 9.05 H new ATOM 0 HA THR A 55 7.077 5.199 -4.449 1.00 9.03 H new ATOM 0 HB THR A 55 9.430 4.334 -4.723 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.994 6.973 -3.790 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.781 5.720 -6.810 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.064 5.298 -6.613 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.633 6.931 -6.191 1.00 11.71 H new ATOM 885 N LEU A 56 8.188 3.512 -2.492 1.00 6.91 N ATOM 886 CA LEU A 56 8.581 2.624 -1.410 1.00 8.29 C ATOM 887 C LEU A 56 9.923 3.003 -0.708 1.00 8.05 C ATOM 888 O LEU A 56 10.101 2.975 0.505 1.00 10.17 O ATOM 889 CB LEU A 56 8.493 1.159 -1.959 1.00 6.60 C ATOM 890 CG LEU A 56 7.095 0.773 -2.447 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.196 -0.552 -3.177 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.137 0.624 -1.284 1.00 8.64 C ATOM 0 H LEU A 56 7.865 2.976 -3.297 1.00 6.91 H new ATOM 0 HA LEU A 56 7.890 2.730 -0.574 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.200 1.044 -2.780 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.800 0.467 -1.175 1.00 6.60 H new ATOM 0 HG LEU A 56 6.717 1.556 -3.105 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.209 -0.847 -3.534 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.873 -0.450 -4.025 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.578 -1.314 -2.497 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.151 0.349 -1.658 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.499 -0.153 -0.611 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.070 1.569 -0.744 1.00 8.64 H new ATOM 904 N SER A 57 10.838 3.520 -1.540 1.00 8.92 N ATOM 905 CA SER A 57 12.149 4.044 -1.215 1.00 9.00 C ATOM 906 C SER A 57 12.172 5.224 -0.286 1.00 9.44 C ATOM 907 O SER A 57 12.834 5.272 0.779 1.00 10.91 O ATOM 908 CB SER A 57 13.026 4.316 -2.478 1.00 10.32 C ATOM 909 OG SER A 57 14.382 4.534 -2.023 1.00 13.59 O ATOM 0 H SER A 57 10.652 3.582 -2.541 1.00 8.92 H new ATOM 0 HA SER A 57 12.597 3.227 -0.649 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.983 3.471 -3.165 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.658 5.187 -3.021 1.00 10.32 H new ATOM 0 HG SER A 57 14.962 4.707 -2.794 1.00 13.59 H new ATOM 915 N ASP A 58 11.262 6.233 -0.551 1.00 9.11 N ATOM 916 CA ASP A 58 11.083 7.388 0.285 1.00 7.91 C ATOM 917 C ASP A 58 10.566 7.055 1.703 1.00 9.12 C ATOM 918 O ASP A 58 10.844 7.823 2.609 1.00 8.61 O ATOM 919 CB ASP A 58 10.031 8.318 -0.426 1.00 8.41 C ATOM 920 CG ASP A 58 10.434 8.709 -1.800 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.528 9.354 -1.918 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.721 8.410 -2.831 1.00 11.70 O ATOM 0 H ASP A 58 10.650 6.225 -1.367 1.00 9.11 H new ATOM 0 HA ASP A 58 12.056 7.862 0.414 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.071 7.804 -0.468 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.886 9.217 0.173 1.00 8.41 H new ATOM 927 N TYR A 59 9.875 5.923 1.870 1.00 7.97 N ATOM 928 CA TYR A 59 9.266 5.554 3.084 1.00 8.45 C ATOM 929 C TYR A 59 10.062 4.531 3.807 1.00 10.98 C ATOM 930 O TYR A 59 9.712 4.132 4.898 1.00 12.95 O ATOM 931 CB TYR A 59 7.887 4.954 2.743 1.00 7.94 C ATOM 932 CG TYR A 59 6.915 6.022 2.366 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.587 6.992 3.313 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.420 6.066 1.050 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.696 8.015 2.994 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.496 7.077 0.759 1.00 6.52 C ATOM 937 CZ TYR A 59 5.181 8.080 1.683 1.00 6.76 C ATOM 938 OH TYR A 59 4.199 8.991 1.283 1.00 7.63 O ATOM 0 H TYR A 59 9.739 5.241 1.124 1.00 7.97 H new ATOM 0 HA TYR A 59 9.186 6.432 3.725 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.989 4.244 1.922 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.507 4.398 3.600 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.026 6.950 4.299 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.737 5.355 0.301 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.406 8.744 3.736 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.012 7.083 -0.207 1.00 6.52 H new ATOM 0 HH TYR A 59 4.224 9.092 0.308 1.00 7.63 H new ATOM 948 N ASN A 60 11.211 4.082 3.243 1.00 12.38 N ATOM 949 CA ASN A 60 12.062 2.994 3.729 1.00 13.94 C ATOM 950 C ASN A 60 11.359 1.643 3.910 1.00 14.16 C ATOM 951 O ASN A 60 11.373 1.012 4.976 1.00 14.26 O ATOM 952 CB ASN A 60 12.897 3.320 5.019 1.00 19.23 C ATOM 953 CG ASN A 60 13.661 4.655 4.823 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.082 5.752 4.942 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.954 4.535 4.519 1.00 24.09 N ATOM 0 H ASN A 60 11.580 4.501 2.389 1.00 12.38 H new ATOM 0 HA ASN A 60 12.759 2.898 2.896 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.236 3.391 5.883 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.601 2.513 5.222 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.523 5.369 4.371 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.374 3.609 4.435 1.00 24.09 H new ATOM 962 N ILE A 61 10.642 1.152 2.847 1.00 11.08 N ATOM 963 CA ILE A 61 9.868 -0.090 2.820 1.00 11.78 C ATOM 964 C ILE A 61 10.730 -1.229 2.285 1.00 13.74 C ATOM 965 O ILE A 61 10.974 -1.300 1.078 1.00 14.60 O ATOM 966 CB ILE A 61 8.579 0.124 2.017 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.640 1.064 2.812 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.846 -1.256 1.840 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.436 1.558 2.043 1.00 11.42 C ATOM 0 H ILE A 61 10.601 1.650 1.958 1.00 11.08 H new ATOM 0 HA ILE A 61 9.569 -0.374 3.829 1.00 11.78 H new ATOM 0 HB ILE A 61 8.823 0.555 1.046 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.294 0.540 3.703 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.215 1.926 3.152 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.929 -1.110 1.270 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.498 -1.949 1.308 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.603 -1.667 2.820 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.838 2.209 2.681 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.767 2.114 1.166 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.833 0.707 1.726 1.00 11.42 H new ATOM 981 N GLN A 62 11.286 -2.126 3.135 1.00 13.97 N ATOM 982 CA GLN A 62 12.282 -3.122 2.719 1.00 15.52 C ATOM 983 C GLN A 62 11.722 -4.453 2.442 1.00 13.94 C ATOM 984 O GLN A 62 10.599 -4.679 2.829 1.00 12.15 O ATOM 985 CB GLN A 62 13.319 -3.259 3.852 1.00 19.53 C ATOM 986 CG GLN A 62 14.020 -1.906 4.165 1.00 26.38 C ATOM 987 CD GLN A 62 14.568 -1.168 2.928 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.247 0.029 2.810 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.361 -1.897 2.111 1.00 32.71 N ATOM 0 H GLN A 62 11.051 -2.173 4.127 1.00 13.97 H new ATOM 0 HA GLN A 62 12.717 -2.766 1.785 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.827 -3.629 4.751 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.068 -3.999 3.571 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.312 -1.254 4.677 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.842 -2.089 4.857 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.547 -2.877 2.322 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.773 -1.467 1.283 1.00 32.71 H new ATOM 998 N LYS A 63 12.487 -5.381 1.754 1.00 11.73 N ATOM 999 CA LYS A 63 12.167 -6.801 1.652 1.00 11.97 C ATOM 1000 C LYS A 63 11.558 -7.454 2.875 1.00 10.41 C ATOM 1001 O LYS A 63 12.156 -7.463 3.965 1.00 9.59 O ATOM 1002 CB LYS A 63 13.577 -7.498 1.412 1.00 13.73 C ATOM 1003 CG LYS A 63 13.563 -9.068 1.333 1.00 16.98 C ATOM 1004 CD LYS A 63 14.934 -9.596 0.949 1.00 20.19 C ATOM 1005 CE LYS A 63 15.483 -10.835 1.593 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.516 -11.921 1.462 1.00 25.97 N ATOM 0 H LYS A 63 13.344 -5.128 1.262 1.00 11.73 H new ATOM 0 HA LYS A 63 11.413 -6.912 0.873 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.999 -7.111 0.484 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.249 -7.200 2.217 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.264 -9.483 2.295 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.824 -9.394 0.601 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.921 -9.772 -0.127 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.650 -8.795 1.132 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.426 -11.115 1.123 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.695 -10.647 2.646 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.973 -12.823 1.704 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 13.717 -11.753 2.106 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.169 -11.961 0.482 1.00 25.97 H new ATOM 1020 N GLU A 64 10.244 -7.943 2.778 1.00 10.04 N ATOM 1021 CA GLU A 64 9.493 -8.652 3.755 1.00 10.94 C ATOM 1022 C GLU A 64 9.041 -7.793 4.960 1.00 9.74 C ATOM 1023 O GLU A 64 8.732 -8.263 6.069 1.00 9.42 O ATOM 1024 CB GLU A 64 10.313 -9.923 4.132 1.00 18.31 C ATOM 1025 CG GLU A 64 10.518 -10.855 2.891 1.00 24.16 C ATOM 1026 CD GLU A 64 11.388 -11.997 3.298 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.658 -11.804 3.417 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.873 -13.024 3.718 1.00 31.72 O ATOM 0 H GLU A 64 9.703 -7.806 1.924 1.00 10.04 H new ATOM 0 HA GLU A 64 8.533 -8.952 3.335 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.283 -9.627 4.532 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.797 -10.471 4.920 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.557 -11.221 2.529 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.978 -10.301 2.073 1.00 24.16 H new ATOM 1035 N SER A 65 9.023 -6.487 4.773 1.00 6.85 N ATOM 1036 CA SER A 65 8.423 -5.468 5.577 1.00 6.90 C ATOM 1037 C SER A 65 6.940 -5.557 5.442 1.00 4.72 C ATOM 1038 O SER A 65 6.432 -6.167 4.493 1.00 3.91 O ATOM 1039 CB SER A 65 8.892 -4.009 5.203 1.00 7.28 C ATOM 1040 OG SER A 65 8.558 -3.048 6.219 1.00 10.56 O ATOM 0 H SER A 65 9.484 -6.081 3.959 1.00 6.85 H new ATOM 0 HA SER A 65 8.743 -5.644 6.604 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.970 -4.006 5.045 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.431 -3.713 4.261 1.00 7.28 H new ATOM 0 HG SER A 65 7.833 -2.471 5.898 1.00 10.56 H new ATOM 1046 N THR A 66 6.175 -5.076 6.454 1.00 4.48 N ATOM 1047 CA THR A 66 4.779 -5.242 6.494 1.00 3.80 C ATOM 1048 C THR A 66 4.116 -3.832 6.578 1.00 4.60 C ATOM 1049 O THR A 66 4.262 -3.102 7.551 1.00 5.33 O ATOM 1050 CB THR A 66 4.348 -6.024 7.718 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.078 -7.187 7.840 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.871 -6.442 7.690 1.00 3.40 C ATOM 0 H THR A 66 6.554 -4.564 7.251 1.00 4.48 H new ATOM 0 HA THR A 66 4.475 -5.785 5.599 1.00 3.80 H new ATOM 0 HB THR A 66 4.516 -5.345 8.554 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.784 -7.675 8.637 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.633 -6.998 8.597 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.242 -5.553 7.633 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.688 -7.072 6.820 1.00 3.40 H new ATOM 1060 N LEU A 67 3.274 -3.535 5.560 1.00 4.17 N ATOM 1061 CA LEU A 67 2.396 -2.383 5.551 1.00 3.85 C ATOM 1062 C LEU A 67 1.057 -2.727 6.184 1.00 3.80 C ATOM 1063 O LEU A 67 0.678 -3.904 6.363 1.00 5.54 O ATOM 1064 CB LEU A 67 2.068 -1.913 4.143 1.00 7.18 C ATOM 1065 CG LEU A 67 3.288 -1.804 3.186 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.759 -1.132 1.933 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.485 -1.018 3.716 1.00 11.66 C ATOM 0 H LEU A 67 3.199 -4.108 4.720 1.00 4.17 H new ATOM 0 HA LEU A 67 2.930 -1.607 6.100 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.343 -2.600 3.706 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.586 -0.938 4.205 1.00 7.18 H new ATOM 0 HG LEU A 67 3.683 -2.808 3.031 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.568 -1.022 1.210 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.966 -1.742 1.500 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.363 -0.149 2.187 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.275 -1.008 2.965 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.180 0.005 3.935 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.856 -1.489 4.626 1.00 11.66 H new ATOM 1079 N HIS A 68 0.227 -1.740 6.564 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.196 -1.858 6.961 1.00 4.17 C ATOM 1081 C HIS A 68 -2.118 -1.135 5.985 1.00 5.32 C ATOM 1082 O HIS A 68 -1.691 -0.187 5.328 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.301 -1.287 8.390 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.956 -2.263 9.516 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.027 -3.242 9.376 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.237 -2.253 10.859 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.278 -3.785 10.584 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.428 -3.203 11.510 1.00 16.30 N ATOM 0 H HIS A 68 0.549 -0.773 6.606 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.520 -2.899 6.940 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.641 -0.423 8.467 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.318 -0.926 8.544 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.964 -1.616 11.341 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.971 -4.594 10.760 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.400 -3.397 12.511 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.382 -1.575 5.867 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.334 -1.135 4.890 1.00 3.97 C ATOM 1098 C LEU A 69 -5.555 -0.808 5.606 1.00 5.07 C ATOM 1099 O LEU A 69 -6.036 -1.555 6.436 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.659 -2.065 3.697 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.772 -1.675 2.670 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.541 -0.273 2.062 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.611 -2.665 1.508 1.00 9.96 C ATOM 0 H LEU A 69 -3.765 -2.283 6.493 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.857 -0.291 4.392 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.735 -2.202 3.135 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.928 -3.037 4.110 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.743 -1.688 3.166 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.339 -0.047 1.355 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.539 0.473 2.857 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.582 -0.254 1.544 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.360 -2.455 0.744 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.615 -2.562 1.078 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.744 -3.682 1.876 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.977 0.446 5.387 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.262 0.928 5.865 1.00 6.26 C ATOM 1117 C VAL A 70 -8.194 1.442 4.789 1.00 9.22 C ATOM 1118 O VAL A 70 -7.742 1.976 3.779 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.237 1.916 7.088 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.802 1.196 8.395 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.351 3.131 6.783 1.00 8.54 C ATOM 0 H VAL A 70 -5.435 1.143 4.876 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.678 -0.003 6.249 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.252 2.278 7.252 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.796 1.910 9.219 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.502 0.391 8.617 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.802 0.782 8.267 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.347 3.803 7.641 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.334 2.797 6.578 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.742 3.657 5.912 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.538 1.286 4.864 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.398 1.575 3.758 1.00 16.06 C ATOM 1133 C LEU A 71 -11.311 2.768 4.031 1.00 18.09 C ATOM 1134 O LEU A 71 -11.948 2.932 5.061 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.252 0.362 3.241 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.415 -0.836 3.029 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.382 -1.865 2.542 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.299 -0.639 2.033 1.00 19.57 C ATOM 0 H LEU A 71 -10.025 0.958 5.698 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.702 1.823 2.956 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.038 0.135 3.961 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.744 0.634 2.307 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.898 -1.112 3.948 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.854 -2.800 2.354 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.151 -2.028 3.297 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.847 -1.519 1.619 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.732 -1.564 1.934 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.719 -0.366 1.065 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.639 0.156 2.379 1.00 19.57 H new