USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 55 THR OG1 : rot 124:sc= -0.0714 USER MOD Set 1.2: A 57 SER OG : rot -83:sc= 0.267 USER MOD Set 2.1: A 7 THR OG1 : rot 128:sc= 0.66 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.563 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 165:sc= 1.2 (180deg=-0.0481) USER MOD Set 3.2: A 12 THR OG1 : rot 157:sc= 1.03 USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.122) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.36 (180deg=2.27) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= 1.25 (180deg=0.787) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.008 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.228 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 1.41 (180deg=1.21) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 1.27 (180deg=1) USER MOD Single : A 31 GLN : amide:sc=-0.00783 X(o=-0.0078,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0157 K(o=-0.016,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0.432 K(o=0.43,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.191 USER MOD Single : A 60 ASN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.433 X(o=0.43,f=-0.029) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 75:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.138 K(o=-0.14,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.522 -6.751 -4.726 1.00 9.67 N ATOM 2 CA MET A 1 11.584 -7.151 -3.337 1.00 10.38 C ATOM 3 C MET A 1 10.222 -7.490 -2.796 1.00 9.62 C ATOM 4 O MET A 1 9.176 -7.165 -3.341 1.00 9.62 O ATOM 5 CB MET A 1 12.153 -5.934 -2.515 1.00 13.77 C ATOM 6 CG MET A 1 11.340 -4.641 -2.335 1.00 16.29 C ATOM 7 SD MET A 1 12.220 -3.502 -1.216 1.00 17.17 S ATOM 8 CE MET A 1 11.105 -2.095 -1.318 1.00 16.11 C ATOM 0 H1 MET A 1 12.482 -6.558 -5.075 1.00 9.67 H new ATOM 0 H2 MET A 1 11.097 -7.515 -5.289 1.00 9.67 H new ATOM 0 H3 MET A 1 10.942 -5.892 -4.814 1.00 9.67 H new ATOM 0 HA MET A 1 12.215 -8.036 -3.253 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.384 -6.305 -1.517 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.099 -5.653 -2.978 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.181 -4.164 -3.302 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.356 -4.874 -1.929 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.572 -1.226 -0.855 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.889 -1.877 -2.364 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.176 -2.328 -0.797 1.00 16.11 H new ATOM 20 N GLN A 2 10.199 -8.238 -1.672 1.00 9.27 N ATOM 21 CA GLN A 2 9.034 -8.828 -1.102 1.00 9.07 C ATOM 22 C GLN A 2 8.506 -8.162 0.086 1.00 8.72 C ATOM 23 O GLN A 2 9.306 -7.855 0.924 1.00 8.22 O ATOM 24 CB GLN A 2 9.227 -10.350 -0.845 1.00 14.46 C ATOM 25 CG GLN A 2 9.659 -11.102 -2.177 1.00 17.01 C ATOM 26 CD GLN A 2 9.954 -12.509 -1.759 1.00 20.10 C ATOM 27 OE1 GLN A 2 11.106 -12.873 -1.445 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.892 -13.381 -1.705 1.00 19.49 N ATOM 0 H GLN A 2 11.044 -8.438 -1.137 1.00 9.27 H new ATOM 0 HA GLN A 2 8.269 -8.685 -1.865 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.985 -10.499 -0.076 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.300 -10.779 -0.465 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.863 -11.072 -2.921 1.00 17.01 H new ATOM 0 HG3 GLN A 2 10.534 -10.634 -2.627 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.958 -13.064 -1.966 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.038 -14.345 -1.404 1.00 19.49 H new ATOM 37 N ILE A 3 7.156 -7.903 0.209 1.00 5.87 N ATOM 38 CA ILE A 3 6.537 -7.236 1.351 1.00 5.07 C ATOM 39 C ILE A 3 5.189 -7.838 1.635 1.00 4.01 C ATOM 40 O ILE A 3 4.648 -8.566 0.788 1.00 4.61 O ATOM 41 CB ILE A 3 6.409 -5.740 1.065 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.464 -5.428 -0.120 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.818 -5.186 0.966 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.058 -3.894 -0.248 1.00 10.83 C ATOM 0 H ILE A 3 6.482 -8.168 -0.510 1.00 5.87 H new ATOM 0 HA ILE A 3 7.165 -7.373 2.231 1.00 5.07 H new ATOM 0 HB ILE A 3 5.902 -5.220 1.878 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.945 -5.743 -1.046 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.558 -6.024 -0.013 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.775 -4.116 0.762 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.342 -5.355 1.907 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.351 -5.688 0.158 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.395 -3.763 -1.103 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.546 -3.576 0.660 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.955 -3.291 -0.389 1.00 10.83 H new ATOM 56 N PHE A 4 4.604 -7.551 2.787 1.00 4.55 N ATOM 57 CA PHE A 4 3.205 -7.913 3.099 1.00 4.68 C ATOM 58 C PHE A 4 2.339 -6.596 3.291 1.00 5.30 C ATOM 59 O PHE A 4 2.853 -5.558 3.625 1.00 5.58 O ATOM 60 CB PHE A 4 3.198 -8.663 4.487 1.00 4.83 C ATOM 61 CG PHE A 4 4.002 -9.993 4.459 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.356 -11.178 4.020 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.346 -10.063 4.871 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.067 -12.386 4.067 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.039 -11.255 4.978 1.00 10.61 C ATOM 66 CZ PHE A 4 5.391 -12.452 4.560 1.00 8.90 C ATOM 0 H PHE A 4 5.077 -7.058 3.544 1.00 4.55 H new ATOM 0 HA PHE A 4 2.800 -8.525 2.293 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.616 -8.007 5.251 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.168 -8.873 4.776 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.339 -11.150 3.658 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.859 -9.144 5.115 1.00 8.34 H new ATOM 0 HE1 PHE A 4 3.591 -13.290 3.717 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.046 -11.277 5.369 1.00 10.61 H new ATOM 0 HZ PHE A 4 5.905 -13.400 4.619 1.00 8.90 H new ATOM 76 N VAL A 5 0.985 -6.720 3.013 1.00 4.44 N ATOM 77 CA VAL A 5 0.054 -5.660 3.216 1.00 3.87 C ATOM 78 C VAL A 5 -0.964 -6.282 4.137 1.00 4.93 C ATOM 79 O VAL A 5 -1.452 -7.372 3.830 1.00 6.84 O ATOM 80 CB VAL A 5 -0.528 -5.107 1.936 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.825 -4.236 2.168 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.537 -4.258 1.118 1.00 9.13 C ATOM 0 H VAL A 5 0.564 -7.574 2.646 1.00 4.44 H new ATOM 0 HA VAL A 5 0.514 -4.769 3.643 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.813 -5.983 1.353 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.193 -3.869 1.210 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.593 -4.847 2.642 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.585 -3.390 2.813 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.077 -3.879 0.205 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.879 -3.421 1.726 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.386 -4.891 0.861 1.00 9.13 H new ATOM 92 N LYS A 6 -1.251 -5.653 5.288 1.00 6.04 N ATOM 93 CA LYS A 6 -2.173 -6.161 6.280 1.00 6.12 C ATOM 94 C LYS A 6 -3.420 -5.346 6.316 1.00 6.57 C ATOM 95 O LYS A 6 -3.489 -4.141 6.222 1.00 5.76 O ATOM 96 CB LYS A 6 -1.464 -6.027 7.689 1.00 7.45 C ATOM 97 CG LYS A 6 -2.132 -6.823 8.867 1.00 11.12 C ATOM 98 CD LYS A 6 -1.774 -8.301 8.928 1.00 14.54 C ATOM 99 CE LYS A 6 -0.250 -8.581 9.225 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.014 -10.023 9.225 1.00 20.55 N ATOM 0 H LYS A 6 -0.833 -4.760 5.547 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.434 -7.192 6.040 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.431 -6.361 7.589 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.432 -4.972 7.960 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.846 -6.356 9.809 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.215 -6.730 8.781 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.378 -8.779 9.700 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.041 -8.768 7.980 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.373 -8.099 8.472 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.028 -8.156 10.189 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.008 -10.208 9.165 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.390 -10.436 10.102 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.492 -10.453 8.407 1.00 20.55 H new ATOM 114 N THR A 7 -4.502 -6.129 6.344 1.00 7.41 N ATOM 115 CA THR A 7 -5.883 -5.642 6.210 1.00 7.48 C ATOM 116 C THR A 7 -6.655 -5.745 7.556 1.00 8.75 C ATOM 117 O THR A 7 -6.248 -6.465 8.467 1.00 8.58 O ATOM 118 CB THR A 7 -6.750 -6.309 5.113 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.463 -7.549 5.420 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.806 -6.743 3.980 1.00 9.17 C ATOM 0 H THR A 7 -4.444 -7.140 6.463 1.00 7.41 H new ATOM 0 HA THR A 7 -5.737 -4.607 5.899 1.00 7.48 H new ATOM 0 HB THR A 7 -7.501 -5.544 4.915 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.410 -7.448 5.187 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.384 -7.218 3.187 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.292 -5.869 3.580 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.073 -7.450 4.368 1.00 9.17 H new ATOM 128 N LEU A 8 -7.754 -5.000 7.749 1.00 9.84 N ATOM 129 CA LEU A 8 -8.588 -5.024 8.969 1.00 14.15 C ATOM 130 C LEU A 8 -9.695 -6.101 8.797 1.00 17.37 C ATOM 131 O LEU A 8 -10.513 -6.335 9.705 1.00 17.01 O ATOM 132 CB LEU A 8 -9.339 -3.691 9.270 1.00 16.63 C ATOM 133 CG LEU A 8 -8.416 -2.507 9.198 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.254 -1.225 9.057 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.590 -2.313 10.507 1.00 18.59 C ATOM 0 H LEU A 8 -8.099 -4.347 7.046 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.895 -5.220 9.787 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.153 -3.562 8.557 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.789 -3.742 10.261 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.749 -2.687 8.355 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.591 -0.361 9.004 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.852 -1.280 8.148 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.913 -1.124 9.919 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.940 -1.445 10.402 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.269 -2.159 11.346 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.984 -3.200 10.689 1.00 18.59 H new ATOM 147 N THR A 9 -9.724 -6.760 7.605 1.00 18.33 N ATOM 148 CA THR A 9 -10.793 -7.632 7.204 1.00 19.24 C ATOM 149 C THR A 9 -10.334 -9.008 7.306 1.00 19.48 C ATOM 150 O THR A 9 -10.983 -9.951 6.872 1.00 23.14 O ATOM 151 CB THR A 9 -11.313 -7.306 5.814 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.317 -7.136 4.831 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.935 -5.936 5.945 1.00 19.70 C ATOM 0 H THR A 9 -8.983 -6.679 6.909 1.00 18.33 H new ATOM 0 HA THR A 9 -11.641 -7.485 7.873 1.00 19.24 H new ATOM 0 HB THR A 9 -11.958 -8.129 5.506 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.738 -6.931 3.970 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.336 -5.625 4.981 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.740 -5.971 6.679 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.178 -5.222 6.270 1.00 19.70 H new ATOM 161 N GLY A 10 -9.189 -9.238 7.917 1.00 19.43 N ATOM 162 CA GLY A 10 -8.666 -10.537 8.383 1.00 18.74 C ATOM 163 C GLY A 10 -7.700 -11.158 7.335 1.00 17.62 C ATOM 164 O GLY A 10 -7.653 -12.386 7.120 1.00 19.74 O ATOM 0 H GLY A 10 -8.542 -8.477 8.123 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -8.143 -10.404 9.330 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.494 -11.221 8.569 1.00 18.74 H new ATOM 168 N LYS A 11 -6.809 -10.378 6.727 1.00 13.56 N ATOM 169 CA LYS A 11 -6.038 -10.876 5.588 1.00 11.91 C ATOM 170 C LYS A 11 -4.684 -10.182 5.583 1.00 10.18 C ATOM 171 O LYS A 11 -4.491 -9.025 5.966 1.00 9.10 O ATOM 172 CB LYS A 11 -6.717 -10.726 4.148 1.00 13.43 C ATOM 173 CG LYS A 11 -5.953 -11.250 2.978 1.00 16.69 C ATOM 174 CD LYS A 11 -6.709 -11.554 1.657 1.00 17.92 C ATOM 175 CE LYS A 11 -5.789 -12.404 0.733 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.622 -12.952 -0.392 1.00 21.93 N ATOM 0 H LYS A 11 -6.604 -9.416 6.997 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.963 -11.953 5.739 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.683 -11.231 4.175 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.915 -9.668 3.976 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.168 -10.529 2.749 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.459 -12.169 3.293 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.633 -12.093 1.867 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.987 -10.625 1.160 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -4.977 -11.792 0.340 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.332 -13.217 1.297 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.155 -13.790 -0.794 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.560 -13.218 -0.031 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.728 -12.227 -1.131 1.00 21.93 H new ATOM 190 N THR A 12 -3.616 -10.925 5.171 1.00 9.63 N ATOM 191 CA THR A 12 -2.242 -10.475 5.010 1.00 9.85 C ATOM 192 C THR A 12 -2.028 -10.795 3.550 1.00 11.66 C ATOM 193 O THR A 12 -2.411 -11.884 3.090 1.00 12.33 O ATOM 194 CB THR A 12 -1.254 -11.262 5.789 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.506 -11.234 7.157 1.00 10.91 O ATOM 196 CG2 THR A 12 0.153 -10.642 5.711 1.00 9.63 C ATOM 0 H THR A 12 -3.721 -11.911 4.933 1.00 9.63 H new ATOM 0 HA THR A 12 -2.108 -9.443 5.335 1.00 9.85 H new ATOM 0 HB THR A 12 -1.324 -12.262 5.361 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.097 -12.017 7.581 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.849 -11.245 6.293 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.480 -10.612 4.672 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.127 -9.629 6.113 1.00 9.63 H new ATOM 204 N ILE A 13 -1.432 -9.893 2.697 1.00 10.42 N ATOM 205 CA ILE A 13 -1.300 -9.936 1.292 1.00 11.84 C ATOM 206 C ILE A 13 0.132 -9.949 0.981 1.00 10.55 C ATOM 207 O ILE A 13 0.817 -8.978 1.179 1.00 11.92 O ATOM 208 CB ILE A 13 -2.115 -8.860 0.549 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.507 -8.661 1.141 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.167 -9.174 -0.944 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.992 -7.281 0.687 1.00 16.46 C ATOM 0 H ILE A 13 -1.003 -9.047 3.072 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.751 -10.852 0.910 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.601 -7.908 0.682 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.187 -9.441 0.799 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.476 -8.720 2.229 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.746 -8.406 -1.457 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.154 -9.195 -1.347 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.638 -10.145 -1.095 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.988 -7.095 1.089 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.306 -6.516 1.051 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.028 -7.248 -0.402 1.00 16.46 H new ATOM 223 N THR A 14 0.624 -11.069 0.335 1.00 9.39 N ATOM 224 CA THR A 14 1.951 -11.149 -0.298 1.00 9.63 C ATOM 225 C THR A 14 2.040 -10.290 -1.509 1.00 11.20 C ATOM 226 O THR A 14 1.149 -10.231 -2.409 1.00 11.63 O ATOM 227 CB THR A 14 2.334 -12.574 -0.778 1.00 10.38 C ATOM 228 OG1 THR A 14 1.271 -13.312 -1.413 1.00 16.30 O ATOM 229 CG2 THR A 14 2.718 -13.321 0.491 1.00 11.66 C ATOM 0 H THR A 14 0.089 -11.933 0.252 1.00 9.39 H new ATOM 0 HA THR A 14 2.628 -10.823 0.492 1.00 9.63 H new ATOM 0 HB THR A 14 3.118 -12.484 -1.530 1.00 10.38 H new ATOM 0 HG1 THR A 14 1.601 -14.194 -1.684 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.004 -14.342 0.240 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.557 -12.817 0.970 1.00 11.66 H new ATOM 0 HG23 THR A 14 1.868 -13.339 1.174 1.00 11.66 H new ATOM 237 N LEU A 15 3.158 -9.548 -1.631 1.00 8.29 N ATOM 238 CA LEU A 15 3.372 -8.687 -2.807 1.00 9.03 C ATOM 239 C LEU A 15 4.825 -8.719 -3.227 1.00 8.59 C ATOM 240 O LEU A 15 5.714 -8.952 -2.430 1.00 7.79 O ATOM 241 CB LEU A 15 3.146 -7.168 -2.544 1.00 11.08 C ATOM 242 CG LEU A 15 1.685 -6.761 -2.171 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.703 -5.331 -1.753 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.710 -6.954 -3.340 1.00 15.27 C ATOM 0 H LEU A 15 3.912 -9.527 -0.944 1.00 8.29 H new ATOM 0 HA LEU A 15 2.663 -9.078 -3.537 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.809 -6.854 -1.738 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.443 -6.615 -3.435 1.00 11.08 H new ATOM 0 HG LEU A 15 1.335 -7.404 -1.363 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.694 -5.017 -1.486 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.360 -5.212 -0.891 1.00 15.88 H new ATOM 0 HD13 LEU A 15 2.068 -4.716 -2.576 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.292 -6.657 -3.031 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.026 -6.340 -4.183 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.702 -8.002 -3.638 1.00 15.27 H new ATOM 256 N GLU A 16 5.036 -8.478 -4.515 1.00 11.04 N ATOM 257 CA GLU A 16 6.306 -8.190 -5.149 1.00 11.50 C ATOM 258 C GLU A 16 6.306 -6.757 -5.624 1.00 10.13 C ATOM 259 O GLU A 16 5.371 -6.365 -6.343 1.00 9.83 O ATOM 260 CB GLU A 16 6.563 -9.171 -6.319 1.00 17.22 C ATOM 261 CG GLU A 16 7.817 -8.802 -7.092 1.00 23.33 C ATOM 262 CD GLU A 16 9.125 -9.067 -6.340 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.302 -10.142 -5.744 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.976 -8.176 -6.414 1.00 28.90 O ATOM 0 H GLU A 16 4.268 -8.480 -5.186 1.00 11.04 H new ATOM 0 HA GLU A 16 7.114 -8.323 -4.430 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.660 -10.185 -5.930 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.706 -9.168 -6.992 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.830 -9.361 -8.027 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.770 -7.745 -7.353 1.00 23.33 H new ATOM 271 N VAL A 17 7.254 -6.014 -5.202 1.00 8.99 N ATOM 272 CA VAL A 17 7.342 -4.614 -5.517 1.00 8.85 C ATOM 273 C VAL A 17 8.785 -4.309 -5.728 1.00 8.04 C ATOM 274 O VAL A 17 9.664 -5.048 -5.271 1.00 8.99 O ATOM 275 CB VAL A 17 6.902 -3.644 -4.461 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.335 -3.710 -4.314 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.658 -3.961 -3.104 1.00 10.54 C ATOM 0 H VAL A 17 8.015 -6.354 -4.614 1.00 8.99 H new ATOM 0 HA VAL A 17 6.674 -4.481 -6.368 1.00 8.85 H new ATOM 0 HB VAL A 17 7.160 -2.623 -4.743 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.012 -3.006 -3.547 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.869 -3.450 -5.265 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.039 -4.719 -4.028 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.339 -3.256 -2.336 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.423 -4.976 -2.785 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.733 -3.869 -3.256 1.00 10.54 H new ATOM 287 N GLU A 18 9.082 -3.178 -6.433 1.00 7.29 N ATOM 288 CA GLU A 18 10.454 -2.638 -6.562 1.00 7.08 C ATOM 289 C GLU A 18 10.516 -1.352 -5.798 1.00 6.45 C ATOM 290 O GLU A 18 9.469 -0.701 -5.652 1.00 5.28 O ATOM 291 CB GLU A 18 10.856 -2.200 -7.959 1.00 10.28 C ATOM 292 CG GLU A 18 10.833 -3.424 -8.862 1.00 12.65 C ATOM 293 CD GLU A 18 11.459 -3.053 -10.170 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.725 -2.601 -11.048 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.705 -3.330 -10.310 1.00 18.17 O ATOM 0 H GLU A 18 8.378 -2.625 -6.921 1.00 7.29 H new ATOM 0 HA GLU A 18 11.099 -3.451 -6.227 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.170 -1.439 -8.332 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.851 -1.754 -7.947 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.378 -4.247 -8.400 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.809 -3.765 -9.014 1.00 12.65 H new ATOM 302 N PRO A 19 11.633 -0.901 -5.281 1.00 7.24 N ATOM 303 CA PRO A 19 11.783 0.268 -4.459 1.00 7.07 C ATOM 304 C PRO A 19 11.249 1.542 -5.115 1.00 6.65 C ATOM 305 O PRO A 19 10.835 2.362 -4.382 1.00 6.37 O ATOM 306 CB PRO A 19 13.289 0.339 -4.251 1.00 7.61 C ATOM 307 CG PRO A 19 13.684 -1.167 -4.134 1.00 8.16 C ATOM 308 CD PRO A 19 12.763 -1.853 -5.116 1.00 7.49 C ATOM 0 HA PRO A 19 11.210 0.197 -3.535 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.792 0.827 -5.086 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.549 0.898 -3.352 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.732 -1.328 -4.388 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.540 -1.542 -3.121 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.264 -2.045 -6.065 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.421 -2.816 -4.736 1.00 7.49 H new ATOM 316 N SER A 20 11.342 1.680 -6.403 1.00 6.80 N ATOM 317 CA SER A 20 10.893 2.776 -7.228 1.00 6.28 C ATOM 318 C SER A 20 9.467 2.681 -7.591 1.00 8.45 C ATOM 319 O SER A 20 8.927 3.613 -8.169 1.00 7.26 O ATOM 320 CB SER A 20 11.719 2.795 -8.527 1.00 8.57 C ATOM 321 OG SER A 20 11.627 1.532 -9.209 1.00 11.13 O ATOM 0 H SER A 20 11.780 0.953 -6.968 1.00 6.80 H new ATOM 0 HA SER A 20 11.027 3.688 -6.646 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.362 3.592 -9.179 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.762 3.014 -8.297 1.00 8.57 H new ATOM 0 HG SER A 20 12.157 1.565 -10.032 1.00 11.13 H new ATOM 327 N ASP A 21 8.672 1.636 -7.329 1.00 7.50 N ATOM 328 CA ASP A 21 7.255 1.603 -7.516 1.00 7.70 C ATOM 329 C ASP A 21 6.571 2.692 -6.665 1.00 7.08 C ATOM 330 O ASP A 21 6.858 2.914 -5.520 1.00 8.11 O ATOM 331 CB ASP A 21 6.629 0.272 -7.094 1.00 11.00 C ATOM 332 CG ASP A 21 7.120 -0.893 -7.934 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.788 -0.779 -8.989 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.718 -2.017 -7.502 1.00 14.36 O ATOM 0 H ASP A 21 9.039 0.757 -6.963 1.00 7.50 H new ATOM 0 HA ASP A 21 7.101 1.760 -8.584 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.859 0.082 -6.046 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.544 0.342 -7.175 1.00 11.00 H new ATOM 339 N THR A 22 5.558 3.409 -7.250 1.00 5.37 N ATOM 340 CA THR A 22 4.812 4.444 -6.530 1.00 6.01 C ATOM 341 C THR A 22 3.771 3.902 -5.610 1.00 8.01 C ATOM 342 O THR A 22 3.291 2.756 -5.781 1.00 8.11 O ATOM 343 CB THR A 22 4.230 5.519 -7.400 1.00 8.92 C ATOM 344 OG1 THR A 22 3.251 4.965 -8.289 1.00 10.22 O ATOM 345 CG2 THR A 22 5.315 6.393 -8.118 1.00 9.65 C ATOM 0 H THR A 22 5.256 3.274 -8.215 1.00 5.37 H new ATOM 0 HA THR A 22 5.583 4.917 -5.922 1.00 6.01 H new ATOM 0 HB THR A 22 3.714 6.228 -6.752 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.878 5.677 -8.850 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.825 7.150 -8.730 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.942 6.880 -7.371 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.933 5.757 -8.752 1.00 9.65 H new ATOM 353 N ILE A 23 3.359 4.671 -4.578 1.00 8.32 N ATOM 354 CA ILE A 23 2.276 4.342 -3.699 1.00 9.92 C ATOM 355 C ILE A 23 0.960 4.098 -4.418 1.00 10.01 C ATOM 356 O ILE A 23 0.318 3.172 -3.986 1.00 8.71 O ATOM 357 CB ILE A 23 2.284 5.251 -2.496 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.654 5.360 -1.717 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.057 5.023 -1.595 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.240 4.025 -1.262 1.00 12.30 C ATOM 0 H ILE A 23 3.802 5.561 -4.348 1.00 8.32 H new ATOM 0 HA ILE A 23 2.431 3.351 -3.273 1.00 9.92 H new ATOM 0 HB ILE A 23 2.189 6.255 -2.909 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.381 5.861 -2.357 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.509 5.994 -0.842 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.103 5.698 -0.740 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.147 5.218 -2.163 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.051 3.992 -1.243 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.179 4.200 -0.737 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.537 3.528 -0.593 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.423 3.393 -2.131 1.00 12.30 H new ATOM 372 N GLU A 24 0.679 4.791 -5.526 1.00 9.54 N ATOM 373 CA GLU A 24 -0.306 4.487 -6.489 1.00 11.81 C ATOM 374 C GLU A 24 -0.196 3.182 -7.207 1.00 11.14 C ATOM 375 O GLU A 24 -1.096 2.391 -7.260 1.00 10.62 O ATOM 376 CB GLU A 24 -0.508 5.675 -7.558 1.00 19.24 C ATOM 377 CG GLU A 24 -1.895 5.545 -8.353 1.00 27.76 C ATOM 378 CD GLU A 24 -2.120 6.727 -9.311 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.583 6.641 -10.461 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.825 7.638 -8.876 1.00 34.80 O ATOM 0 H GLU A 24 1.192 5.640 -5.762 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.189 4.379 -5.859 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.475 6.635 -7.043 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.318 5.666 -8.269 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.904 4.613 -8.918 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.718 5.493 -7.641 1.00 27.76 H new ATOM 387 N ASN A 25 1.020 2.910 -7.658 1.00 9.43 N ATOM 388 CA ASN A 25 1.318 1.649 -8.303 1.00 10.96 C ATOM 389 C ASN A 25 1.198 0.396 -7.368 1.00 9.68 C ATOM 390 O ASN A 25 0.763 -0.679 -7.813 1.00 9.33 O ATOM 391 CB ASN A 25 2.748 1.675 -8.852 1.00 16.78 C ATOM 392 CG ASN A 25 3.087 0.452 -9.676 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.883 -0.420 -9.295 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.423 0.382 -10.866 1.00 24.70 N ATOM 0 H ASN A 25 1.813 3.548 -7.587 1.00 9.43 H new ATOM 0 HA ASN A 25 0.570 1.547 -9.089 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.880 2.567 -9.464 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.449 1.752 -8.021 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.572 -0.413 -11.487 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.778 1.125 -11.135 1.00 24.70 H new ATOM 401 N VAL A 26 1.473 0.545 -6.034 1.00 6.52 N ATOM 402 CA VAL A 26 1.128 -0.533 -5.108 1.00 5.53 C ATOM 403 C VAL A 26 -0.415 -0.719 -5.038 1.00 4.42 C ATOM 404 O VAL A 26 -0.880 -1.850 -5.126 1.00 3.40 O ATOM 405 CB VAL A 26 1.822 -0.362 -3.707 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.563 -1.535 -2.784 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.354 -0.274 -3.989 1.00 8.12 C ATOM 0 H VAL A 26 1.910 1.364 -5.612 1.00 6.52 H new ATOM 0 HA VAL A 26 1.533 -1.467 -5.497 1.00 5.53 H new ATOM 0 HB VAL A 26 1.426 0.524 -3.211 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.065 -1.366 -1.831 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.491 -1.637 -2.617 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.947 -2.448 -3.239 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.891 -0.154 -3.048 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.686 -1.187 -4.482 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.557 0.581 -4.634 1.00 8.12 H new ATOM 417 N LYS A 27 -1.218 0.347 -4.941 1.00 2.64 N ATOM 418 CA LYS A 27 -2.673 0.322 -4.893 1.00 4.14 C ATOM 419 C LYS A 27 -3.378 -0.275 -6.201 1.00 5.58 C ATOM 420 O LYS A 27 -4.381 -1.014 -6.145 1.00 4.11 O ATOM 421 CB LYS A 27 -3.225 1.792 -4.665 1.00 3.97 C ATOM 422 CG LYS A 27 -2.890 2.473 -3.352 1.00 7.45 C ATOM 423 CD LYS A 27 -3.410 3.887 -3.217 1.00 9.02 C ATOM 424 CE LYS A 27 -3.055 4.459 -1.797 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.726 5.742 -1.682 1.00 15.47 N ATOM 0 H LYS A 27 -0.845 1.295 -4.892 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.920 -0.345 -4.067 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.852 2.420 -5.474 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.310 1.762 -4.760 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.293 1.874 -2.536 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.807 2.487 -3.233 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.975 4.518 -3.991 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.490 3.901 -3.364 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.385 3.778 -1.012 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.977 4.575 -1.685 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.400 6.229 -0.823 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.506 6.325 -2.515 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.754 5.593 -1.626 1.00 15.47 H new ATOM 439 N ALA A 28 -2.795 -0.068 -7.430 1.00 6.61 N ATOM 440 CA ALA A 28 -3.103 -0.746 -8.654 1.00 7.74 C ATOM 441 C ALA A 28 -2.814 -2.216 -8.733 1.00 9.17 C ATOM 442 O ALA A 28 -3.611 -2.974 -9.266 1.00 11.45 O ATOM 443 CB ALA A 28 -2.490 -0.008 -9.870 1.00 7.68 C ATOM 0 H ALA A 28 -2.059 0.627 -7.555 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.192 -0.705 -8.676 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.740 -0.545 -10.785 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.892 1.004 -9.922 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.407 0.037 -9.760 1.00 7.68 H new ATOM 449 N LYS A 29 -1.664 -2.639 -8.154 1.00 8.96 N ATOM 450 CA LYS A 29 -1.310 -4.058 -7.986 1.00 7.90 C ATOM 451 C LYS A 29 -2.240 -4.800 -7.047 1.00 6.92 C ATOM 452 O LYS A 29 -2.759 -5.911 -7.389 1.00 6.87 O ATOM 453 CB LYS A 29 0.096 -4.246 -7.426 1.00 10.28 C ATOM 454 CG LYS A 29 0.558 -5.713 -7.224 1.00 14.94 C ATOM 455 CD LYS A 29 2.075 -5.677 -7.174 1.00 19.69 C ATOM 456 CE LYS A 29 2.747 -6.036 -8.517 1.00 22.63 C ATOM 457 NZ LYS A 29 4.124 -5.489 -8.583 1.00 24.98 N ATOM 0 H LYS A 29 -0.958 -1.999 -7.791 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.388 -4.464 -8.995 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.801 -3.753 -8.095 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.155 -3.732 -6.467 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.148 -6.127 -6.303 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.210 -6.346 -8.040 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.397 -4.680 -6.871 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.421 -6.370 -6.407 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.776 -7.119 -8.636 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.154 -5.640 -9.342 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.692 -6.057 -9.244 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.091 -4.504 -8.914 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.556 -5.522 -7.638 1.00 24.98 H new ATOM 471 N ILE A 30 -2.624 -4.220 -5.853 1.00 4.57 N ATOM 472 CA ILE A 30 -3.646 -4.703 -4.907 1.00 5.58 C ATOM 473 C ILE A 30 -5.004 -4.851 -5.534 1.00 7.26 C ATOM 474 O ILE A 30 -5.712 -5.854 -5.326 1.00 9.46 O ATOM 475 CB ILE A 30 -3.765 -3.858 -3.676 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.457 -3.930 -2.791 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.922 -4.289 -2.733 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.274 -5.265 -2.115 1.00 2.00 C ATOM 0 H ILE A 30 -2.191 -3.356 -5.528 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.286 -5.689 -4.612 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.948 -2.857 -4.065 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.589 -3.725 -3.418 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.495 -3.148 -2.033 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.947 -3.632 -1.864 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.870 -4.221 -3.266 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.762 -5.317 -2.407 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.359 -5.251 -1.523 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.125 -5.462 -1.463 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.206 -6.049 -2.870 1.00 2.00 H new ATOM 490 N GLN A 31 -5.407 -3.864 -6.345 1.00 7.06 N ATOM 491 CA GLN A 31 -6.598 -4.000 -7.200 1.00 8.67 C ATOM 492 C GLN A 31 -6.682 -5.289 -7.992 1.00 10.90 C ATOM 493 O GLN A 31 -7.659 -5.978 -8.064 1.00 9.63 O ATOM 494 CB GLN A 31 -6.759 -2.858 -8.180 1.00 9.12 C ATOM 495 CG GLN A 31 -8.046 -2.787 -8.978 1.00 10.76 C ATOM 496 CD GLN A 31 -8.125 -1.604 -9.895 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.172 -0.930 -9.922 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.120 -1.290 -10.726 1.00 14.76 N ATOM 0 H GLN A 31 -4.930 -2.966 -6.428 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.404 -3.995 -6.466 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.656 -1.925 -7.626 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.929 -2.903 -8.886 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.148 -3.699 -9.567 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.889 -2.757 -8.288 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.258 -1.835 -10.713 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.218 -0.506 -11.371 1.00 14.76 H new ATOM 507 N ASP A 32 -5.522 -5.705 -8.616 1.00 10.93 N ATOM 508 CA ASP A 32 -5.524 -6.928 -9.409 1.00 14.01 C ATOM 509 C ASP A 32 -5.636 -8.225 -8.617 1.00 14.04 C ATOM 510 O ASP A 32 -6.379 -9.123 -9.029 1.00 13.39 O ATOM 511 CB ASP A 32 -4.212 -7.048 -10.285 1.00 18.01 C ATOM 512 CG ASP A 32 -4.198 -5.996 -11.409 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.258 -5.837 -12.045 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.131 -5.301 -11.623 1.00 26.29 O ATOM 0 H ASP A 32 -4.628 -5.216 -8.572 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.424 -6.823 -10.015 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.335 -6.919 -9.651 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.149 -8.047 -10.717 1.00 18.01 H new ATOM 519 N LYS A 33 -4.941 -8.257 -7.436 1.00 14.22 N ATOM 520 CA LYS A 33 -5.013 -9.338 -6.437 1.00 14.00 C ATOM 521 C LYS A 33 -6.326 -9.463 -5.763 1.00 12.37 C ATOM 522 O LYS A 33 -6.889 -10.525 -5.781 1.00 12.17 O ATOM 523 CB LYS A 33 -3.820 -9.206 -5.402 1.00 18.62 C ATOM 524 CG LYS A 33 -2.431 -9.417 -6.099 1.00 24.00 C ATOM 525 CD LYS A 33 -1.314 -9.689 -5.070 1.00 27.61 C ATOM 526 CE LYS A 33 0.126 -9.905 -5.611 1.00 27.64 C ATOM 527 NZ LYS A 33 0.290 -11.129 -6.477 1.00 30.06 N ATOM 0 H LYS A 33 -4.305 -7.508 -7.161 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.905 -10.273 -6.986 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.849 -8.221 -4.935 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.944 -9.940 -4.606 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.496 -10.253 -6.795 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.179 -8.533 -6.685 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.289 -8.852 -4.373 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.593 -10.573 -4.497 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.421 -9.027 -6.185 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.811 -9.978 -4.766 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.278 -11.199 -6.796 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.042 -11.978 -5.929 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.336 -11.056 -7.304 1.00 30.06 H new ATOM 541 N GLU A 34 -6.906 -8.336 -5.277 1.00 10.11 N ATOM 542 CA GLU A 34 -8.086 -8.318 -4.368 1.00 10.07 C ATOM 543 C GLU A 34 -9.338 -7.563 -4.802 1.00 9.32 C ATOM 544 O GLU A 34 -10.340 -7.604 -4.135 1.00 11.61 O ATOM 545 CB GLU A 34 -7.699 -7.619 -3.006 1.00 14.77 C ATOM 546 CG GLU A 34 -6.648 -8.448 -2.220 1.00 18.75 C ATOM 547 CD GLU A 34 -7.148 -9.820 -1.751 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.224 -9.903 -1.081 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.436 -10.834 -2.009 1.00 25.19 O ATOM 0 H GLU A 34 -6.565 -7.402 -5.507 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.334 -9.379 -4.331 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.303 -6.623 -3.206 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.593 -7.490 -2.395 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.770 -8.590 -2.850 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.327 -7.875 -1.350 1.00 18.75 H new ATOM 556 N GLY A 35 -9.358 -6.916 -5.991 1.00 7.22 N ATOM 557 CA GLY A 35 -10.503 -6.229 -6.558 1.00 6.29 C ATOM 558 C GLY A 35 -10.813 -4.837 -5.983 1.00 6.93 C ATOM 559 O GLY A 35 -11.663 -4.138 -6.496 1.00 7.41 O ATOM 0 H GLY A 35 -8.535 -6.867 -6.592 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.345 -6.129 -7.632 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.382 -6.859 -6.423 1.00 6.29 H new ATOM 563 N ILE A 36 -10.079 -4.290 -5.092 1.00 5.86 N ATOM 564 CA ILE A 36 -10.275 -2.955 -4.518 1.00 6.07 C ATOM 565 C ILE A 36 -9.736 -1.853 -5.395 1.00 6.36 C ATOM 566 O ILE A 36 -8.564 -1.835 -5.674 1.00 6.18 O ATOM 567 CB ILE A 36 -9.634 -2.851 -3.115 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.980 -4.100 -2.262 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.191 -1.569 -2.424 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.463 -3.931 -0.871 1.00 9.49 C ATOM 0 H ILE A 36 -9.267 -4.766 -4.699 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.354 -2.821 -4.440 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.549 -2.796 -3.208 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.060 -4.248 -2.241 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.545 -4.991 -2.714 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.754 -1.472 -1.430 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.934 -0.693 -3.020 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.275 -1.644 -2.337 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.711 -4.813 -0.281 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.381 -3.805 -0.898 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.919 -3.051 -0.418 1.00 9.49 H new ATOM 582 N PRO A 37 -10.517 -0.956 -5.929 1.00 8.65 N ATOM 583 CA PRO A 37 -9.976 0.283 -6.501 1.00 9.18 C ATOM 584 C PRO A 37 -8.971 1.084 -5.695 1.00 9.85 C ATOM 585 O PRO A 37 -9.172 1.137 -4.468 1.00 8.51 O ATOM 586 CB PRO A 37 -11.203 1.180 -6.752 1.00 11.42 C ATOM 587 CG PRO A 37 -12.421 0.220 -6.746 1.00 9.27 C ATOM 588 CD PRO A 37 -11.979 -0.954 -5.799 1.00 8.33 C ATOM 0 HA PRO A 37 -9.398 -0.023 -7.373 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.299 1.941 -5.978 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.119 1.703 -7.705 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.318 0.716 -6.374 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.649 -0.141 -7.749 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.292 -0.780 -4.769 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.412 -1.905 -6.108 1.00 8.33 H new ATOM 596 N PRO A 38 -7.984 1.794 -6.310 1.00 8.71 N ATOM 597 CA PRO A 38 -7.004 2.674 -5.583 1.00 9.08 C ATOM 598 C PRO A 38 -7.665 3.793 -4.758 1.00 9.28 C ATOM 599 O PRO A 38 -7.045 4.165 -3.718 1.00 6.50 O ATOM 600 CB PRO A 38 -6.148 3.246 -6.672 1.00 10.31 C ATOM 601 CG PRO A 38 -6.238 2.238 -7.825 1.00 10.81 C ATOM 602 CD PRO A 38 -7.641 1.682 -7.758 1.00 12.00 C ATOM 0 HA PRO A 38 -6.445 2.100 -4.844 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.506 4.229 -6.979 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.118 3.372 -6.338 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.051 2.720 -8.785 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.496 1.447 -7.715 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.330 2.253 -8.380 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.681 0.649 -8.103 1.00 12.00 H new ATOM 610 N ASP A 39 -8.769 4.409 -5.184 1.00 11.20 N ATOM 611 CA ASP A 39 -9.299 5.554 -4.455 1.00 14.96 C ATOM 612 C ASP A 39 -10.113 5.128 -3.230 1.00 13.99 C ATOM 613 O ASP A 39 -10.396 5.861 -2.274 1.00 13.75 O ATOM 614 CB ASP A 39 -10.240 6.466 -5.342 1.00 24.16 C ATOM 615 CG ASP A 39 -9.485 7.089 -6.510 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.653 8.019 -6.279 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.752 6.701 -7.635 1.00 34.22 O ATOM 0 H ASP A 39 -9.301 4.140 -6.012 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.417 6.118 -4.153 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.070 5.871 -5.722 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.669 7.255 -4.724 1.00 24.16 H new ATOM 622 N GLN A 40 -10.311 3.825 -3.176 1.00 11.60 N ATOM 623 CA GLN A 40 -10.845 3.129 -2.053 1.00 10.76 C ATOM 624 C GLN A 40 -9.742 2.528 -1.154 1.00 8.01 C ATOM 625 O GLN A 40 -10.090 1.895 -0.167 1.00 8.96 O ATOM 626 CB GLN A 40 -11.835 2.005 -2.480 1.00 11.14 C ATOM 627 CG GLN A 40 -13.042 2.663 -3.043 1.00 14.85 C ATOM 628 CD GLN A 40 -14.139 1.671 -3.335 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.961 0.455 -3.327 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.368 2.195 -3.597 1.00 18.16 N ATOM 0 H GLN A 40 -10.089 3.207 -3.957 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.389 3.877 -1.476 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.375 1.350 -3.220 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.101 1.383 -1.625 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.408 3.412 -2.341 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.775 3.189 -3.960 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.501 3.206 -3.600 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.156 1.576 -3.790 1.00 18.16 H new ATOM 639 N GLN A 41 -8.484 2.808 -1.445 1.00 6.52 N ATOM 640 CA GLN A 41 -7.372 2.308 -0.545 1.00 3.87 C ATOM 641 C GLN A 41 -6.621 3.485 0.134 1.00 4.79 C ATOM 642 O GLN A 41 -6.349 4.488 -0.489 1.00 6.34 O ATOM 643 CB GLN A 41 -6.284 1.510 -1.327 1.00 4.20 C ATOM 644 CG GLN A 41 -6.881 0.161 -1.770 1.00 3.20 C ATOM 645 CD GLN A 41 -5.918 -0.576 -2.729 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.768 -0.915 -2.432 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.401 -0.715 -3.979 1.00 7.13 N ATOM 0 H GLN A 41 -8.179 3.352 -2.252 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.869 1.669 0.185 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.950 2.078 -2.195 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.410 1.347 -0.697 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.077 -0.460 -0.896 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.838 0.326 -2.265 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.356 -0.425 -4.192 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.812 -1.110 -4.712 1.00 7.13 H new ATOM 656 N ARG A 42 -6.326 3.225 1.383 1.00 5.73 N ATOM 657 CA ARG A 42 -5.477 4.041 2.167 1.00 6.97 C ATOM 658 C ARG A 42 -4.307 3.228 2.663 1.00 7.15 C ATOM 659 O ARG A 42 -4.541 2.146 3.268 1.00 7.33 O ATOM 660 CB ARG A 42 -6.155 4.861 3.375 1.00 13.23 C ATOM 661 CG ARG A 42 -5.359 5.973 3.950 1.00 21.27 C ATOM 662 CD ARG A 42 -6.222 6.834 4.849 1.00 26.14 C ATOM 663 NE ARG A 42 -6.657 8.019 4.068 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.770 8.698 4.278 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.782 8.119 4.940 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.040 9.806 3.629 1.00 36.39 N ATOM 0 H ARG A 42 -6.688 2.413 1.883 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.158 4.829 1.485 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.103 5.267 3.022 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.388 4.159 4.175 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.520 5.571 4.518 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.940 6.581 3.148 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.086 6.271 5.201 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.663 7.144 5.732 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.050 8.333 3.311 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.689 7.161 5.277 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.645 8.637 5.106 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.381 10.166 2.939 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.909 10.307 3.815 1.00 36.39 H new ATOM 680 N LEU A 43 -3.031 3.682 2.366 1.00 4.65 N ATOM 681 CA LEU A 43 -1.787 2.981 2.786 1.00 3.51 C ATOM 682 C LEU A 43 -1.163 3.640 3.973 1.00 5.56 C ATOM 683 O LEU A 43 -1.174 4.848 4.084 1.00 4.19 O ATOM 684 CB LEU A 43 -0.750 2.580 1.695 1.00 3.74 C ATOM 685 CG LEU A 43 -1.065 1.340 0.835 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.081 1.132 -0.109 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.425 0.107 1.645 1.00 6.41 C ATOM 0 H LEU A 43 -2.856 4.535 1.835 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.159 1.996 3.069 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.621 3.430 1.025 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.208 2.414 2.187 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.974 1.522 0.262 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.115 0.259 -0.732 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.195 2.012 -0.742 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.997 0.974 0.460 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.633 -0.723 0.970 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.592 -0.156 2.298 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.308 0.314 2.249 1.00 6.41 H new ATOM 699 N ILE A 44 -0.597 2.821 4.879 1.00 4.58 N ATOM 700 CA ILE A 44 -0.024 3.313 6.083 1.00 5.55 C ATOM 701 C ILE A 44 1.204 2.476 6.319 1.00 5.46 C ATOM 702 O ILE A 44 1.243 1.233 6.229 1.00 6.04 O ATOM 703 CB ILE A 44 -0.942 3.231 7.246 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.367 3.919 7.037 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.236 3.834 8.527 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.461 2.907 6.537 1.00 13.90 C ATOM 0 H ILE A 44 -0.539 1.808 4.770 1.00 4.58 H new ATOM 0 HA ILE A 44 0.204 4.374 5.979 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.153 2.169 7.374 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.692 4.364 7.977 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.272 4.731 6.316 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.913 3.772 9.379 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.671 3.269 8.743 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.022 4.877 8.343 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.410 3.429 6.412 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.153 2.481 5.582 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.580 2.109 7.269 1.00 13.90 H new ATOM 718 N PHE A 45 2.323 3.181 6.638 1.00 6.75 N ATOM 719 CA PHE A 45 3.518 2.380 6.959 1.00 4.70 C ATOM 720 C PHE A 45 4.006 2.861 8.356 1.00 6.34 C ATOM 721 O PHE A 45 4.525 3.942 8.545 1.00 5.45 O ATOM 722 CB PHE A 45 4.670 2.623 5.920 1.00 5.51 C ATOM 723 CG PHE A 45 5.931 1.924 6.303 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.055 0.519 6.150 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.111 2.631 6.562 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.228 -0.172 6.376 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.393 2.001 6.690 1.00 6.64 C ATOM 728 CZ PHE A 45 8.417 0.608 6.655 1.00 6.84 C ATOM 0 H PHE A 45 2.418 4.196 6.677 1.00 6.75 H new ATOM 0 HA PHE A 45 3.269 1.319 6.940 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.349 2.278 4.937 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.861 3.693 5.835 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.184 -0.040 5.840 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.053 3.704 6.671 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.259 -1.251 6.346 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.298 2.579 6.808 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.349 0.095 6.841 1.00 6.84 H new ATOM 738 N ALA A 46 3.803 1.958 9.280 1.00 6.53 N ATOM 739 CA ALA A 46 4.285 2.096 10.661 1.00 7.15 C ATOM 740 C ALA A 46 3.714 3.456 11.288 1.00 9.00 C ATOM 741 O ALA A 46 4.434 4.241 11.901 1.00 11.15 O ATOM 742 CB ALA A 46 5.803 1.972 10.707 1.00 8.99 C ATOM 0 H ALA A 46 3.294 1.091 9.109 1.00 6.53 H new ATOM 0 HA ALA A 46 3.909 1.285 11.285 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.146 2.076 11.737 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.100 0.996 10.323 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.251 2.755 10.095 1.00 8.99 H new ATOM 748 N GLY A 47 2.430 3.763 11.057 1.00 9.35 N ATOM 749 CA GLY A 47 1.697 4.824 11.661 1.00 11.68 C ATOM 750 C GLY A 47 1.928 6.128 10.932 1.00 11.14 C ATOM 751 O GLY A 47 1.397 7.137 11.302 1.00 13.93 O ATOM 0 H GLY A 47 1.863 3.229 10.398 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.634 4.584 11.656 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.996 4.929 12.704 1.00 11.68 H new ATOM 755 N LYS A 48 2.679 6.123 9.778 1.00 10.47 N ATOM 756 CA LYS A 48 2.660 7.182 8.815 1.00 8.82 C ATOM 757 C LYS A 48 1.693 6.877 7.603 1.00 7.68 C ATOM 758 O LYS A 48 1.940 5.935 6.812 1.00 6.47 O ATOM 759 CB LYS A 48 4.053 7.480 8.189 1.00 9.74 C ATOM 760 CG LYS A 48 5.180 7.887 9.153 1.00 14.14 C ATOM 761 CD LYS A 48 4.832 9.165 9.937 1.00 16.32 C ATOM 762 CE LYS A 48 6.070 9.831 10.597 1.00 20.04 C ATOM 763 NZ LYS A 48 6.461 9.001 11.813 1.00 23.92 N ATOM 0 H LYS A 48 3.306 5.358 9.528 1.00 10.47 H new ATOM 0 HA LYS A 48 2.316 8.041 9.391 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.377 6.593 7.645 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.931 8.277 7.455 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.371 7.073 9.852 1.00 14.14 H new ATOM 0 HG3 LYS A 48 6.100 8.046 8.590 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.358 9.879 9.264 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.102 8.923 10.710 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.897 9.882 9.889 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.839 10.854 10.893 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.290 9.428 12.273 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.668 8.974 12.485 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.693 8.033 11.512 1.00 23.92 H new ATOM 777 N GLN A 49 0.696 7.734 7.357 1.00 8.89 N ATOM 778 CA GLN A 49 -0.145 7.779 6.189 1.00 7.18 C ATOM 779 C GLN A 49 0.611 8.206 4.919 1.00 8.23 C ATOM 780 O GLN A 49 1.323 9.232 4.866 1.00 9.70 O ATOM 781 CB GLN A 49 -1.405 8.747 6.412 1.00 11.67 C ATOM 782 CG GLN A 49 -2.582 8.147 7.259 1.00 15.82 C ATOM 783 CD GLN A 49 -3.566 9.227 7.675 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.527 9.534 6.990 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.238 9.912 8.808 1.00 20.67 N ATOM 0 H GLN A 49 0.450 8.462 8.028 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.494 6.757 6.039 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.058 9.658 6.900 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.795 9.037 5.436 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.100 7.384 6.678 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.182 7.655 8.146 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.427 9.629 9.358 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.803 10.707 9.105 1.00 20.67 H new ATOM 794 N LEU A 50 0.578 7.312 3.893 1.00 6.51 N ATOM 795 CA LEU A 50 1.268 7.523 2.655 1.00 7.41 C ATOM 796 C LEU A 50 0.414 8.221 1.683 1.00 8.27 C ATOM 797 O LEU A 50 -0.793 8.055 1.599 1.00 8.34 O ATOM 798 CB LEU A 50 1.896 6.245 2.106 1.00 7.13 C ATOM 799 CG LEU A 50 2.474 5.275 3.078 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.948 4.052 2.278 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.634 5.878 3.944 1.00 9.11 C ATOM 0 H LEU A 50 0.062 6.433 3.933 1.00 6.51 H new ATOM 0 HA LEU A 50 2.111 8.183 2.858 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.136 5.723 1.525 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.686 6.533 1.412 1.00 7.13 H new ATOM 0 HG LEU A 50 1.706 4.996 3.800 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.379 3.317 2.958 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.101 3.609 1.754 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.701 4.361 1.553 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.009 5.118 4.630 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.442 6.208 3.291 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.259 6.728 4.514 1.00 9.11 H new ATOM 813 N GLU A 51 1.088 9.012 0.832 1.00 9.43 N ATOM 814 CA GLU A 51 0.543 9.676 -0.334 1.00 11.90 C ATOM 815 C GLU A 51 1.075 9.198 -1.663 1.00 11.49 C ATOM 816 O GLU A 51 2.172 8.722 -1.760 1.00 9.88 O ATOM 817 CB GLU A 51 0.686 11.193 -0.174 1.00 16.56 C ATOM 818 CG GLU A 51 -0.208 11.922 -1.126 1.00 26.06 C ATOM 819 CD GLU A 51 -0.139 13.392 -0.843 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.842 14.085 -1.276 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.099 13.932 -0.207 1.00 32.13 O ATOM 0 H GLU A 51 2.081 9.207 0.958 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.511 9.400 -0.371 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.442 11.478 0.849 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.722 11.484 -0.348 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.096 11.723 -2.154 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -1.234 11.568 -1.023 1.00 26.06 H new ATOM 828 N ASP A 52 0.155 9.184 -2.664 1.00 12.71 N ATOM 829 CA ASP A 52 0.137 8.377 -3.869 1.00 16.56 C ATOM 830 C ASP A 52 1.326 8.571 -4.808 1.00 15.83 C ATOM 831 O ASP A 52 1.738 7.594 -5.342 1.00 17.21 O ATOM 832 CB ASP A 52 -1.164 8.608 -4.712 1.00 21.05 C ATOM 833 CG ASP A 52 -2.367 8.595 -3.767 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.634 9.563 -2.944 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.956 7.486 -3.673 1.00 28.37 O ATOM 0 H ASP A 52 -0.657 9.800 -2.624 1.00 12.71 H new ATOM 0 HA ASP A 52 0.185 7.362 -3.476 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.108 9.560 -5.240 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.268 7.829 -5.468 1.00 21.05 H new ATOM 840 N GLY A 53 1.779 9.827 -5.001 1.00 15.00 N ATOM 841 CA GLY A 53 2.750 10.216 -6.041 1.00 11.77 C ATOM 842 C GLY A 53 4.164 9.934 -5.730 1.00 11.10 C ATOM 843 O GLY A 53 5.004 10.217 -6.594 1.00 11.25 O ATOM 0 H GLY A 53 1.474 10.613 -4.427 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.490 9.701 -6.966 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.644 11.284 -6.230 1.00 11.77 H new ATOM 847 N ARG A 54 4.389 9.612 -4.473 1.00 8.53 N ATOM 848 CA ARG A 54 5.718 9.293 -3.892 1.00 9.05 C ATOM 849 C ARG A 54 6.058 7.793 -3.987 1.00 8.96 C ATOM 850 O ARG A 54 5.206 6.989 -4.261 1.00 11.60 O ATOM 851 CB ARG A 54 5.627 9.796 -2.423 1.00 7.97 C ATOM 852 CG ARG A 54 4.732 11.080 -2.131 1.00 9.62 C ATOM 853 CD ARG A 54 5.003 11.621 -0.719 1.00 12.20 C ATOM 854 NE ARG A 54 3.978 12.753 -0.567 1.00 18.23 N ATOM 855 CZ ARG A 54 3.796 13.468 0.545 1.00 22.08 C ATOM 856 NH1 ARG A 54 4.618 13.365 1.576 1.00 25.50 N ATOM 857 NH2 ARG A 54 2.773 14.369 0.566 1.00 23.38 N ATOM 0 H ARG A 54 3.637 9.558 -3.786 1.00 8.53 H new ATOM 0 HA ARG A 54 6.530 9.775 -4.437 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.247 8.977 -1.812 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.639 10.008 -2.079 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.945 11.853 -2.869 1.00 9.62 H new ATOM 0 HG3 ARG A 54 3.677 10.825 -2.232 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.865 10.850 0.039 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.024 11.988 -0.619 1.00 12.20 H new ATOM 0 HE ARG A 54 3.394 12.975 -1.373 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.413 12.728 1.533 1.00 25.50 H new ATOM 0 HH12 ARG A 54 4.457 13.923 2.415 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.175 14.480 -0.252 1.00 23.38 H new ATOM 0 HH22 ARG A 54 2.606 14.932 1.400 1.00 23.38 H new ATOM 871 N THR A 55 7.394 7.480 -3.870 1.00 9.05 N ATOM 872 CA THR A 55 7.873 6.119 -3.957 1.00 9.03 C ATOM 873 C THR A 55 7.930 5.430 -2.591 1.00 8.15 C ATOM 874 O THR A 55 7.779 5.974 -1.492 1.00 5.91 O ATOM 875 CB THR A 55 9.195 5.876 -4.820 1.00 11.15 C ATOM 876 OG1 THR A 55 10.373 6.451 -4.181 1.00 11.95 O ATOM 877 CG2 THR A 55 9.126 6.385 -6.236 1.00 11.71 C ATOM 0 H THR A 55 8.127 8.173 -3.717 1.00 9.05 H new ATOM 0 HA THR A 55 7.103 5.629 -4.552 1.00 9.03 H new ATOM 0 HB THR A 55 9.276 4.790 -4.867 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.050 5.753 -4.054 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.067 6.176 -6.744 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.311 5.888 -6.762 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.949 7.461 -6.228 1.00 11.71 H new ATOM 885 N LEU A 56 8.116 4.083 -2.604 1.00 6.91 N ATOM 886 CA LEU A 56 8.470 3.206 -1.478 1.00 8.29 C ATOM 887 C LEU A 56 9.813 3.567 -0.867 1.00 8.05 C ATOM 888 O LEU A 56 9.878 3.898 0.354 1.00 10.17 O ATOM 889 CB LEU A 56 8.596 1.706 -2.016 1.00 6.60 C ATOM 890 CG LEU A 56 7.248 1.045 -2.359 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.359 -0.279 -3.162 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.310 0.832 -1.143 1.00 8.64 C ATOM 0 H LEU A 56 8.013 3.553 -3.469 1.00 6.91 H new ATOM 0 HA LEU A 56 7.692 3.318 -0.723 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.227 1.702 -2.905 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.103 1.103 -1.263 1.00 6.60 H new ATOM 0 HG LEU A 56 6.793 1.791 -3.010 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.361 -0.671 -3.357 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.866 -0.089 -4.108 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.929 -1.008 -2.585 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.385 0.362 -1.475 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.802 0.189 -0.412 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.084 1.795 -0.685 1.00 8.64 H new ATOM 904 N SER A 57 10.893 3.674 -1.684 1.00 8.92 N ATOM 905 CA SER A 57 12.250 4.020 -1.219 1.00 9.00 C ATOM 906 C SER A 57 12.357 5.426 -0.762 1.00 9.44 C ATOM 907 O SER A 57 13.155 5.799 0.076 1.00 10.91 O ATOM 908 CB SER A 57 13.327 3.881 -2.346 1.00 10.32 C ATOM 909 OG SER A 57 12.867 4.530 -3.512 1.00 13.59 O ATOM 0 H SER A 57 10.839 3.520 -2.691 1.00 8.92 H new ATOM 0 HA SER A 57 12.429 3.319 -0.404 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.270 4.319 -2.020 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.519 2.828 -2.553 1.00 10.32 H new ATOM 0 HG SER A 57 12.273 3.929 -4.008 1.00 13.59 H new ATOM 915 N ASP A 58 11.442 6.339 -1.204 1.00 9.11 N ATOM 916 CA ASP A 58 11.359 7.737 -0.747 1.00 7.91 C ATOM 917 C ASP A 58 10.715 7.841 0.656 1.00 9.12 C ATOM 918 O ASP A 58 10.878 8.798 1.383 1.00 8.61 O ATOM 919 CB ASP A 58 10.472 8.531 -1.774 1.00 8.41 C ATOM 920 CG ASP A 58 10.536 10.027 -1.360 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.631 10.608 -1.335 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.389 10.585 -1.215 1.00 10.05 O ATOM 0 H ASP A 58 10.734 6.107 -1.901 1.00 9.11 H new ATOM 0 HA ASP A 58 12.367 8.148 -0.685 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.842 8.395 -2.790 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.444 8.169 -1.758 1.00 8.41 H new ATOM 927 N TYR A 59 9.892 6.838 1.113 1.00 7.97 N ATOM 928 CA TYR A 59 9.255 6.729 2.395 1.00 8.45 C ATOM 929 C TYR A 59 10.158 5.841 3.264 1.00 10.98 C ATOM 930 O TYR A 59 9.925 5.651 4.444 1.00 12.95 O ATOM 931 CB TYR A 59 7.852 6.117 2.322 1.00 7.94 C ATOM 932 CG TYR A 59 6.787 7.170 2.221 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.579 8.023 3.329 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.906 7.225 1.172 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.504 8.945 3.233 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.818 8.159 1.091 1.00 6.52 C ATOM 937 CZ TYR A 59 4.689 9.025 2.175 1.00 6.76 C ATOM 938 OH TYR A 59 3.654 9.937 2.111 1.00 7.63 O ATOM 0 H TYR A 59 9.665 6.042 0.517 1.00 7.97 H new ATOM 0 HA TYR A 59 9.126 7.728 2.811 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.790 5.454 1.459 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.676 5.506 3.207 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.208 7.975 4.206 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.038 6.526 0.360 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.335 9.619 4.060 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.145 8.188 0.247 1.00 6.52 H new ATOM 0 HH TYR A 59 4.014 10.846 2.177 1.00 7.63 H new ATOM 948 N ASN A 60 11.242 5.310 2.684 1.00 12.38 N ATOM 949 CA ASN A 60 12.256 4.393 3.160 1.00 13.94 C ATOM 950 C ASN A 60 11.812 3.038 3.526 1.00 14.16 C ATOM 951 O ASN A 60 12.216 2.445 4.536 1.00 14.26 O ATOM 952 CB ASN A 60 13.084 5.091 4.310 1.00 19.23 C ATOM 953 CG ASN A 60 13.743 6.323 3.867 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.765 7.283 4.610 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.268 6.431 2.635 1.00 24.09 N ATOM 0 H ASN A 60 11.446 5.564 1.717 1.00 12.38 H new ATOM 0 HA ASN A 60 12.891 4.187 2.299 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.419 5.319 5.143 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.836 4.396 4.683 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.680 7.313 2.332 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.255 5.631 2.003 1.00 24.09 H new ATOM 962 N ILE A 61 11.035 2.409 2.666 1.00 11.08 N ATOM 963 CA ILE A 61 10.353 1.148 2.889 1.00 11.78 C ATOM 964 C ILE A 61 11.321 -0.008 2.433 1.00 13.74 C ATOM 965 O ILE A 61 11.884 0.039 1.351 1.00 14.60 O ATOM 966 CB ILE A 61 9.011 1.128 2.238 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.035 2.165 2.960 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.425 -0.287 2.134 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.686 2.320 2.243 1.00 11.42 C ATOM 0 H ILE A 61 10.852 2.787 1.737 1.00 11.08 H new ATOM 0 HA ILE A 61 10.131 1.002 3.946 1.00 11.78 H new ATOM 0 HB ILE A 61 9.129 1.454 1.205 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.860 1.837 3.985 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.524 3.137 3.016 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.448 -0.242 1.653 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.092 -0.915 1.543 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.318 -0.711 3.133 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.068 3.038 2.782 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.853 2.676 1.227 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.178 1.356 2.211 1.00 11.42 H new ATOM 981 N GLN A 62 11.494 -1.034 3.282 1.00 13.97 N ATOM 982 CA GLN A 62 12.570 -2.060 3.099 1.00 15.52 C ATOM 983 C GLN A 62 11.954 -3.393 2.679 1.00 13.94 C ATOM 984 O GLN A 62 10.748 -3.504 2.855 1.00 12.15 O ATOM 985 CB GLN A 62 13.362 -2.283 4.423 1.00 19.53 C ATOM 986 CG GLN A 62 13.994 -0.991 4.946 1.00 26.38 C ATOM 987 CD GLN A 62 14.961 -0.335 3.954 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.990 -0.865 3.497 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.632 0.891 3.524 1.00 32.71 N ATOM 0 H GLN A 62 10.911 -1.187 4.105 1.00 13.97 H new ATOM 0 HA GLN A 62 13.249 -1.694 2.329 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.692 -2.690 5.180 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.143 -3.025 4.256 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.203 -0.283 5.191 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.527 -1.206 5.872 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.794 1.349 3.882 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.220 1.366 2.839 1.00 32.71 H new ATOM 998 N LYS A 63 12.730 -4.348 2.191 1.00 11.73 N ATOM 999 CA LYS A 63 12.312 -5.696 2.029 1.00 11.97 C ATOM 1000 C LYS A 63 11.892 -6.326 3.361 1.00 10.41 C ATOM 1001 O LYS A 63 12.394 -5.960 4.432 1.00 9.59 O ATOM 1002 CB LYS A 63 13.337 -6.640 1.326 1.00 13.73 C ATOM 1003 CG LYS A 63 14.703 -6.795 2.073 1.00 16.98 C ATOM 1004 CD LYS A 63 15.833 -7.394 1.234 1.00 20.19 C ATOM 1005 CE LYS A 63 16.503 -6.478 0.129 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.525 -7.267 -0.538 1.00 25.97 N ATOM 0 H LYS A 63 13.692 -4.183 1.894 1.00 11.73 H new ATOM 0 HA LYS A 63 11.458 -5.611 1.357 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.885 -7.626 1.215 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.529 -6.262 0.322 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.017 -5.815 2.432 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.551 -7.422 2.951 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.617 -7.723 1.916 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.446 -8.285 0.740 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.757 -6.135 -0.587 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.941 -5.589 0.583 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.985 -6.691 -1.272 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.235 -7.574 0.157 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.087 -8.102 -0.977 1.00 25.97 H new ATOM 1020 N GLU A 64 10.938 -7.296 3.328 1.00 10.04 N ATOM 1021 CA GLU A 64 10.479 -7.943 4.552 1.00 10.94 C ATOM 1022 C GLU A 64 9.703 -6.971 5.445 1.00 9.74 C ATOM 1023 O GLU A 64 9.640 -7.133 6.649 1.00 9.42 O ATOM 1024 CB GLU A 64 11.569 -8.741 5.326 1.00 18.31 C ATOM 1025 CG GLU A 64 12.477 -9.719 4.469 1.00 24.16 C ATOM 1026 CD GLU A 64 13.406 -10.574 5.300 1.00 29.00 C ATOM 1027 OE1 GLU A 64 14.321 -10.033 5.986 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.222 -11.838 5.242 1.00 31.72 O ATOM 0 H GLU A 64 10.489 -7.631 2.475 1.00 10.04 H new ATOM 0 HA GLU A 64 9.785 -8.716 4.222 1.00 10.94 H new ATOM 0 HB2 GLU A 64 12.220 -8.027 5.831 1.00 18.31 H new ATOM 0 HB3 GLU A 64 11.076 -9.327 6.102 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.835 -10.369 3.875 1.00 24.16 H new ATOM 0 HG3 GLU A 64 13.069 -9.130 3.769 1.00 24.16 H new ATOM 1035 N SER A 65 8.999 -6.056 4.807 1.00 6.85 N ATOM 1036 CA SER A 65 8.181 -5.023 5.518 1.00 6.90 C ATOM 1037 C SER A 65 6.702 -5.378 5.512 1.00 4.72 C ATOM 1038 O SER A 65 6.197 -6.020 4.637 1.00 3.91 O ATOM 1039 CB SER A 65 8.194 -3.637 4.784 1.00 7.28 C ATOM 1040 OG SER A 65 9.423 -2.966 5.045 1.00 10.56 O ATOM 0 H SER A 65 8.960 -5.985 3.790 1.00 6.85 H new ATOM 0 HA SER A 65 8.621 -4.981 6.515 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.069 -3.782 3.711 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.357 -3.027 5.123 1.00 7.28 H new ATOM 0 HG SER A 65 10.139 -3.377 4.517 1.00 10.56 H new ATOM 1046 N THR A 66 5.923 -4.985 6.572 1.00 4.48 N ATOM 1047 CA THR A 66 4.447 -5.202 6.587 1.00 3.80 C ATOM 1048 C THR A 66 3.847 -3.824 6.587 1.00 4.60 C ATOM 1049 O THR A 66 4.039 -3.057 7.497 1.00 5.33 O ATOM 1050 CB THR A 66 3.911 -5.965 7.811 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.431 -7.327 7.816 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.389 -6.077 7.681 1.00 3.40 C ATOM 0 H THR A 66 6.289 -4.527 7.407 1.00 4.48 H new ATOM 0 HA THR A 66 4.183 -5.821 5.729 1.00 3.80 H new ATOM 0 HB THR A 66 4.209 -5.437 8.717 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.087 -7.806 8.599 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.989 -6.616 8.540 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.953 -5.079 7.643 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.141 -6.616 6.767 1.00 3.40 H new ATOM 1060 N LEU A 67 3.109 -3.508 5.458 1.00 4.17 N ATOM 1061 CA LEU A 67 2.404 -2.222 5.329 1.00 3.85 C ATOM 1062 C LEU A 67 0.989 -2.493 5.717 1.00 3.80 C ATOM 1063 O LEU A 67 0.510 -3.673 5.759 1.00 5.54 O ATOM 1064 CB LEU A 67 2.492 -1.719 3.877 1.00 7.18 C ATOM 1065 CG LEU A 67 3.791 -1.027 3.429 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.071 -1.843 3.646 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.530 -0.476 2.033 1.00 11.66 C ATOM 0 H LEU A 67 3.004 -4.128 4.655 1.00 4.17 H new ATOM 0 HA LEU A 67 2.841 -1.449 5.961 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.323 -2.571 3.218 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.670 -1.022 3.715 1.00 7.18 H new ATOM 0 HG LEU A 67 4.035 -0.189 4.082 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.931 -1.270 3.299 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.186 -2.064 4.707 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.007 -2.776 3.086 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.425 0.027 1.667 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.274 -1.295 1.361 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.704 0.234 2.071 1.00 11.66 H new ATOM 1079 N HIS A 68 0.255 -1.432 6.103 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.125 -1.605 6.566 1.00 4.17 C ATOM 1081 C HIS A 68 -2.036 -0.946 5.530 1.00 5.32 C ATOM 1082 O HIS A 68 -1.861 0.192 5.011 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.391 -1.046 7.949 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.818 -2.023 8.922 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.503 -2.441 8.889 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.448 -2.780 9.915 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.630 -3.438 9.865 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.528 -3.611 10.507 1.00 16.30 N ATOM 0 H HIS A 68 0.589 -0.468 6.102 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.323 -2.673 6.660 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.928 -0.066 8.066 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.460 -0.916 8.115 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.494 -2.721 10.176 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.536 -3.989 10.069 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.698 -4.242 11.290 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.180 -1.551 5.218 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.180 -1.111 4.326 1.00 3.97 C ATOM 1098 C LEU A 69 -5.410 -0.836 5.160 1.00 5.07 C ATOM 1099 O LEU A 69 -5.851 -1.629 5.978 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.457 -2.269 3.409 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.284 -1.997 2.153 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.752 -0.861 1.349 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.405 -3.237 1.256 1.00 9.96 C ATOM 0 H LEU A 69 -3.426 -2.446 5.640 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.895 -0.224 3.760 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.500 -2.686 3.097 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.967 -3.040 3.986 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.275 -1.727 2.518 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.378 -0.713 0.469 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.756 0.046 1.954 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.732 -1.084 1.035 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.001 -2.993 0.377 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.411 -3.558 0.943 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.888 -4.041 1.811 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.997 0.392 5.031 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.183 0.801 5.705 1.00 6.26 C ATOM 1117 C VAL A 70 -8.114 1.217 4.533 1.00 9.22 C ATOM 1118 O VAL A 70 -7.689 1.993 3.639 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.932 1.871 6.739 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.318 2.402 7.233 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.201 1.210 7.881 1.00 8.54 C ATOM 0 H VAL A 70 -5.614 1.118 4.426 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.635 0.021 6.318 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.349 2.701 6.341 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.164 3.178 7.983 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.870 2.816 6.390 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.887 1.582 7.671 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.996 1.947 8.657 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.817 0.411 8.293 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.261 0.794 7.519 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.362 0.739 4.503 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.282 1.200 3.443 1.00 16.06 C ATOM 1133 C LEU A 71 -10.586 2.660 3.406 1.00 18.09 C ATOM 1134 O LEU A 71 -10.688 3.307 4.469 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.534 0.328 3.384 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.408 -1.180 3.255 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.727 -1.984 3.280 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.565 -1.605 2.065 1.00 19.57 C ATOM 0 H LEU A 71 -9.751 0.066 5.163 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.717 1.065 2.521 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.110 0.528 4.287 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.131 0.676 2.541 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.891 -1.441 4.179 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.507 -3.047 3.180 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.243 -1.807 4.224 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.363 -1.666 2.454 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.512 -2.693 2.027 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.017 -1.231 1.147 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.560 -1.196 2.167 1.00 19.57 H new