USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 684 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 48 THR OG1 : rot -170:sc= 1.49 USER MOD Set 1.2: A 50 THR OG1 : rot 17:sc= 0.218 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0842 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.69 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 50:sc= 0.186 USER MOD Single : A 14 ASN : amide:sc= -0.181 K(o=-0.18,f=-2.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0178 K(o=-0.018,f=-1.8!) USER MOD Single : A 26 MET CE :methyl 165:sc=-0.00566 (180deg=-0.202) USER MOD Single : A 27 HIS : no HD1:sc= -0.0431 X(o=-0.043,f=0) USER MOD Single : A 28 CYS SG : rot -16:sc= -2.48! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.38 K(o=-0.38,f=-3!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 46 MET CE :methyl -157:sc= 0 (180deg=-1.19) USER MOD Single : A 57 TYR OH : rot 0:sc= -1.33 USER MOD Single : A 66 ASN : amide:sc= -2.97 K(o=-3,f=-9.5!) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.474 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.243 K(o=-0.24,f=-3.8!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 46:sc= 0.201 USER MOD Single : A 80 MET CE :methyl -106:sc= -0.27 (180deg=-0.799) USER MOD Single : A 84 SER OG : rot 49:sc= 0.427 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.999 8.703 -10.591 1.00 0.00 N ATOM 2 CA GLY A 1 -14.856 9.822 -10.245 1.00 0.00 C ATOM 3 C GLY A 1 -14.852 10.905 -11.306 1.00 0.00 C ATOM 4 O GLY A 1 -14.390 10.685 -12.426 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.516 7.812 -10.446 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.713 8.780 -11.588 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.153 8.714 -9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.875 9.464 -10.100 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.529 10.246 -9.296 1.00 0.00 H new ATOM 8 N SER A 2 -15.370 12.078 -10.955 1.00 0.00 N ATOM 9 CA SER A 2 -15.429 13.197 -11.888 1.00 0.00 C ATOM 10 C SER A 2 -16.277 12.845 -13.106 1.00 0.00 C ATOM 11 O SER A 2 -16.064 13.372 -14.198 1.00 0.00 O ATOM 12 CB SER A 2 -14.020 13.595 -12.331 1.00 0.00 C ATOM 13 OG SER A 2 -13.224 13.974 -11.221 1.00 0.00 O ATOM 0 H SER A 2 -15.755 12.278 -10.032 1.00 0.00 H new ATOM 0 HA SER A 2 -15.892 14.040 -11.376 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.550 12.761 -12.852 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.078 14.421 -13.040 1.00 0.00 H new ATOM 0 HG SER A 2 -12.328 14.222 -11.531 1.00 0.00 H new ATOM 19 N SER A 3 -17.240 11.950 -12.910 1.00 0.00 N ATOM 20 CA SER A 3 -18.119 11.523 -13.993 1.00 0.00 C ATOM 21 C SER A 3 -17.324 10.838 -15.100 1.00 0.00 C ATOM 22 O SER A 3 -17.581 11.046 -16.285 1.00 0.00 O ATOM 23 CB SER A 3 -18.880 12.722 -14.563 1.00 0.00 C ATOM 24 OG SER A 3 -19.863 13.182 -13.652 1.00 0.00 O ATOM 0 H SER A 3 -17.431 11.506 -12.012 1.00 0.00 H new ATOM 0 HA SER A 3 -18.834 10.807 -13.587 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.181 13.528 -14.786 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.354 12.442 -15.504 1.00 0.00 H new ATOM 0 HG SER A 3 -20.334 13.949 -14.039 1.00 0.00 H new ATOM 30 N GLY A 4 -16.354 10.018 -14.703 1.00 0.00 N ATOM 31 CA GLY A 4 -15.535 9.315 -15.673 1.00 0.00 C ATOM 32 C GLY A 4 -15.376 7.845 -15.339 1.00 0.00 C ATOM 33 O GLY A 4 -16.128 7.004 -15.830 1.00 0.00 O ATOM 0 H GLY A 4 -16.122 9.829 -13.728 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.983 9.414 -16.662 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.551 9.782 -15.721 1.00 0.00 H new ATOM 37 N SER A 5 -14.392 7.534 -14.501 1.00 0.00 N ATOM 38 CA SER A 5 -14.132 6.154 -14.106 1.00 0.00 C ATOM 39 C SER A 5 -13.126 6.098 -12.960 1.00 0.00 C ATOM 40 O SER A 5 -12.162 6.863 -12.927 1.00 0.00 O ATOM 41 CB SER A 5 -13.610 5.349 -15.298 1.00 0.00 C ATOM 42 OG SER A 5 -13.613 3.961 -15.016 1.00 0.00 O ATOM 0 H SER A 5 -13.762 8.218 -14.083 1.00 0.00 H new ATOM 0 HA SER A 5 -15.070 5.717 -13.765 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.229 5.547 -16.173 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.598 5.671 -15.543 1.00 0.00 H new ATOM 0 HG SER A 5 -13.277 3.468 -15.794 1.00 0.00 H new ATOM 48 N SER A 6 -13.357 5.185 -12.022 1.00 0.00 N ATOM 49 CA SER A 6 -12.474 5.030 -10.872 1.00 0.00 C ATOM 50 C SER A 6 -11.141 4.417 -11.290 1.00 0.00 C ATOM 51 O SER A 6 -10.108 5.086 -11.281 1.00 0.00 O ATOM 52 CB SER A 6 -13.138 4.155 -9.807 1.00 0.00 C ATOM 53 OG SER A 6 -12.336 4.073 -8.642 1.00 0.00 O ATOM 0 H SER A 6 -14.148 4.541 -12.036 1.00 0.00 H new ATOM 0 HA SER A 6 -12.285 6.019 -10.454 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.115 4.566 -9.552 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.307 3.155 -10.207 1.00 0.00 H new ATOM 0 HG SER A 6 -12.783 3.510 -7.976 1.00 0.00 H new ATOM 59 N GLY A 7 -11.172 3.139 -11.655 1.00 0.00 N ATOM 60 CA GLY A 7 -9.960 2.457 -12.071 1.00 0.00 C ATOM 61 C GLY A 7 -9.156 1.936 -10.897 1.00 0.00 C ATOM 62 O GLY A 7 -9.537 0.952 -10.263 1.00 0.00 O ATOM 0 H GLY A 7 -12.014 2.564 -11.670 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.221 1.626 -12.726 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.344 3.141 -12.654 1.00 0.00 H new ATOM 66 N MET A 8 -8.040 2.596 -10.606 1.00 0.00 N ATOM 67 CA MET A 8 -7.180 2.192 -9.500 1.00 0.00 C ATOM 68 C MET A 8 -8.007 1.650 -8.338 1.00 0.00 C ATOM 69 O MET A 8 -8.060 0.440 -8.114 1.00 0.00 O ATOM 70 CB MET A 8 -6.331 3.375 -9.028 1.00 0.00 C ATOM 71 CG MET A 8 -4.966 3.446 -9.694 1.00 0.00 C ATOM 72 SD MET A 8 -4.258 5.104 -9.651 1.00 0.00 S ATOM 73 CE MET A 8 -3.038 4.918 -8.353 1.00 0.00 C ATOM 0 H MET A 8 -7.710 3.413 -11.120 1.00 0.00 H new ATOM 0 HA MET A 8 -6.521 1.399 -9.855 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.871 4.301 -9.225 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.197 3.308 -7.948 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.287 2.752 -9.198 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.054 3.119 -10.730 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.514 5.863 -8.208 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.534 4.632 -7.426 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.322 4.146 -8.635 1.00 0.00 H new ATOM 83 N ILE A 9 -8.649 2.552 -7.603 1.00 0.00 N ATOM 84 CA ILE A 9 -9.473 2.162 -6.466 1.00 0.00 C ATOM 85 C ILE A 9 -10.348 0.961 -6.806 1.00 0.00 C ATOM 86 O ILE A 9 -10.409 -0.009 -6.052 1.00 0.00 O ATOM 87 CB ILE A 9 -10.372 3.322 -5.999 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.518 4.513 -5.558 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.280 2.866 -4.866 1.00 0.00 C ATOM 90 CD1 ILE A 9 -9.209 5.482 -6.677 1.00 0.00 C ATOM 0 H ILE A 9 -8.614 3.557 -7.775 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.791 1.894 -5.660 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.997 3.637 -6.835 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.036 5.045 -4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.582 4.143 -5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.909 3.697 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.910 2.046 -5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.673 2.528 -4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.601 6.300 -6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.663 4.965 -7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.140 5.880 -7.081 1.00 0.00 H new ATOM 102 N ALA A 10 -11.023 1.033 -7.949 1.00 0.00 N ATOM 103 CA ALA A 10 -11.892 -0.050 -8.392 1.00 0.00 C ATOM 104 C ALA A 10 -11.166 -1.390 -8.347 1.00 0.00 C ATOM 105 O ALA A 10 -11.612 -2.327 -7.685 1.00 0.00 O ATOM 106 CB ALA A 10 -12.406 0.226 -9.797 1.00 0.00 C ATOM 0 H ALA A 10 -10.984 1.830 -8.585 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.741 -0.103 -7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.054 -0.591 -10.115 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.970 1.159 -9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.563 0.309 -10.483 1.00 0.00 H new ATOM 112 N ALA A 11 -10.044 -1.475 -9.055 1.00 0.00 N ATOM 113 CA ALA A 11 -9.256 -2.700 -9.094 1.00 0.00 C ATOM 114 C ALA A 11 -8.848 -3.135 -7.691 1.00 0.00 C ATOM 115 O ALA A 11 -9.190 -4.232 -7.247 1.00 0.00 O ATOM 116 CB ALA A 11 -8.025 -2.508 -9.967 1.00 0.00 C ATOM 0 H ALA A 11 -9.661 -0.709 -9.609 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.875 -3.487 -9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.446 -3.431 -9.987 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.334 -2.251 -10.980 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.412 -1.704 -9.560 1.00 0.00 H new ATOM 122 N TYR A 12 -8.116 -2.271 -6.997 1.00 0.00 N ATOM 123 CA TYR A 12 -7.659 -2.568 -5.645 1.00 0.00 C ATOM 124 C TYR A 12 -8.795 -3.133 -4.798 1.00 0.00 C ATOM 125 O TYR A 12 -8.655 -4.184 -4.174 1.00 0.00 O ATOM 126 CB TYR A 12 -7.094 -1.308 -4.987 1.00 0.00 C ATOM 127 CG TYR A 12 -5.818 -0.810 -5.628 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.697 -1.626 -5.715 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.735 0.476 -6.146 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.530 -1.174 -6.299 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.572 0.936 -6.733 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.472 0.107 -6.807 1.00 0.00 C ATOM 133 OH TYR A 12 -2.311 0.560 -7.391 1.00 0.00 O ATOM 0 H TYR A 12 -7.826 -1.359 -7.349 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.872 -3.319 -5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.844 -0.518 -5.030 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -6.906 -1.512 -3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.739 -2.630 -5.320 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.594 1.128 -6.089 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.667 -1.821 -6.358 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.524 1.939 -7.132 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.998 -0.096 -8.048 1.00 0.00 H new ATOM 143 N GLU A 13 -9.921 -2.425 -4.782 1.00 0.00 N ATOM 144 CA GLU A 13 -11.082 -2.855 -4.012 1.00 0.00 C ATOM 145 C GLU A 13 -11.519 -4.258 -4.424 1.00 0.00 C ATOM 146 O GLU A 13 -11.711 -5.132 -3.580 1.00 0.00 O ATOM 147 CB GLU A 13 -12.239 -1.873 -4.201 1.00 0.00 C ATOM 148 CG GLU A 13 -13.392 -2.097 -3.237 1.00 0.00 C ATOM 149 CD GLU A 13 -14.190 -3.345 -3.562 1.00 0.00 C ATOM 150 OE1 GLU A 13 -14.272 -3.702 -4.756 1.00 0.00 O ATOM 151 OE2 GLU A 13 -14.732 -3.964 -2.623 1.00 0.00 O ATOM 0 H GLU A 13 -10.053 -1.552 -5.293 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.800 -2.875 -2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.865 -0.857 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.610 -1.954 -5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.002 -2.174 -2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.054 -1.231 -3.260 1.00 0.00 H new ATOM 158 N ASN A 14 -11.674 -4.464 -5.728 1.00 0.00 N ATOM 159 CA ASN A 14 -12.089 -5.760 -6.252 1.00 0.00 C ATOM 160 C ASN A 14 -11.129 -6.860 -5.809 1.00 0.00 C ATOM 161 O ASN A 14 -11.552 -7.956 -5.440 1.00 0.00 O ATOM 162 CB ASN A 14 -12.161 -5.716 -7.780 1.00 0.00 C ATOM 163 CG ASN A 14 -13.512 -5.244 -8.282 1.00 0.00 C ATOM 164 OD1 ASN A 14 -14.505 -5.283 -7.555 1.00 0.00 O ATOM 165 ND2 ASN A 14 -13.555 -4.795 -9.531 1.00 0.00 N ATOM 0 H ASN A 14 -11.519 -3.751 -6.440 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.079 -5.984 -5.854 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.384 -5.052 -8.159 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.955 -6.709 -8.179 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.436 -4.464 -9.924 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.707 -4.781 -10.097 1.00 0.00 H new ATOM 172 N SER A 15 -9.835 -6.559 -5.846 1.00 0.00 N ATOM 173 CA SER A 15 -8.814 -7.522 -5.451 1.00 0.00 C ATOM 174 C SER A 15 -8.917 -7.843 -3.963 1.00 0.00 C ATOM 175 O SER A 15 -9.355 -7.014 -3.166 1.00 0.00 O ATOM 176 CB SER A 15 -7.420 -6.981 -5.773 1.00 0.00 C ATOM 177 OG SER A 15 -6.458 -8.021 -5.779 1.00 0.00 O ATOM 0 H SER A 15 -9.469 -5.655 -6.146 1.00 0.00 H new ATOM 0 HA SER A 15 -8.978 -8.440 -6.015 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.433 -6.488 -6.745 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.140 -6.227 -5.037 1.00 0.00 H new ATOM 0 HG SER A 15 -5.576 -7.649 -5.989 1.00 0.00 H new ATOM 183 N LYS A 16 -8.510 -9.053 -3.596 1.00 0.00 N ATOM 184 CA LYS A 16 -8.553 -9.487 -2.205 1.00 0.00 C ATOM 185 C LYS A 16 -7.146 -9.691 -1.654 1.00 0.00 C ATOM 186 O LYS A 16 -6.237 -10.092 -2.381 1.00 0.00 O ATOM 187 CB LYS A 16 -9.355 -10.784 -2.078 1.00 0.00 C ATOM 188 CG LYS A 16 -10.820 -10.632 -2.448 1.00 0.00 C ATOM 189 CD LYS A 16 -11.615 -11.879 -2.100 1.00 0.00 C ATOM 190 CE LYS A 16 -11.322 -13.015 -3.068 1.00 0.00 C ATOM 191 NZ LYS A 16 -12.170 -14.209 -2.795 1.00 0.00 N ATOM 0 H LYS A 16 -8.146 -9.752 -4.244 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.042 -8.706 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.905 -11.544 -2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.284 -11.146 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.241 -9.773 -1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.908 -10.430 -3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.374 -12.194 -1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.680 -11.649 -2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.492 -12.675 -4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.270 -13.292 -2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.940 -14.961 -3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.990 -14.549 -1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.173 -13.951 -2.889 1.00 0.00 H new ATOM 205 N TRP A 17 -6.973 -9.413 -0.367 1.00 0.00 N ATOM 206 CA TRP A 17 -5.676 -9.568 0.281 1.00 0.00 C ATOM 207 C TRP A 17 -5.030 -10.894 -0.104 1.00 0.00 C ATOM 208 O TRP A 17 -5.719 -11.892 -0.313 1.00 0.00 O ATOM 209 CB TRP A 17 -5.828 -9.483 1.801 1.00 0.00 C ATOM 210 CG TRP A 17 -4.521 -9.531 2.532 1.00 0.00 C ATOM 211 CD1 TRP A 17 -3.846 -8.475 3.076 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.730 -10.695 2.798 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.684 -8.913 3.664 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.590 -10.270 3.508 1.00 0.00 C ATOM 215 CE3 TRP A 17 -3.876 -12.054 2.508 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.603 -11.157 3.929 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -2.895 -12.933 2.926 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.770 -12.482 3.631 1.00 0.00 C ATOM 0 H TRP A 17 -7.715 -9.079 0.248 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.030 -8.758 -0.058 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.345 -8.558 2.056 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.458 -10.305 2.143 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.177 -7.447 3.048 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.002 -8.323 4.140 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.740 -12.411 1.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.736 -10.811 4.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.997 -13.985 2.706 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.021 -13.194 3.945 1.00 0.00 H new ATOM 229 N GLU A 18 -3.703 -10.897 -0.195 1.00 0.00 N ATOM 230 CA GLU A 18 -2.966 -12.103 -0.556 1.00 0.00 C ATOM 231 C GLU A 18 -1.618 -12.150 0.158 1.00 0.00 C ATOM 232 O GLU A 18 -0.984 -11.125 0.410 1.00 0.00 O ATOM 233 CB GLU A 18 -2.756 -12.164 -2.070 1.00 0.00 C ATOM 234 CG GLU A 18 -1.698 -11.199 -2.578 1.00 0.00 C ATOM 235 CD GLU A 18 -1.782 -10.976 -4.075 1.00 0.00 C ATOM 236 OE1 GLU A 18 -2.283 -11.875 -4.782 1.00 0.00 O ATOM 237 OE2 GLU A 18 -1.346 -9.902 -4.540 1.00 0.00 O ATOM 0 H GLU A 18 -3.118 -10.079 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.554 -12.966 -0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.473 -13.179 -2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.701 -11.949 -2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.807 -10.243 -2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.710 -11.584 -2.327 1.00 0.00 H new ATOM 244 N PRO A 19 -1.169 -13.369 0.493 1.00 0.00 N ATOM 245 CA PRO A 19 0.107 -13.580 1.183 1.00 0.00 C ATOM 246 C PRO A 19 1.305 -13.276 0.290 1.00 0.00 C ATOM 247 O PRO A 19 1.746 -14.125 -0.485 1.00 0.00 O ATOM 248 CB PRO A 19 0.073 -15.067 1.544 1.00 0.00 C ATOM 249 CG PRO A 19 -0.839 -15.681 0.538 1.00 0.00 C ATOM 250 CD PRO A 19 -1.872 -14.634 0.224 1.00 0.00 C ATOM 0 HA PRO A 19 0.219 -12.921 2.044 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.068 -15.508 1.497 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.296 -15.220 2.558 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.292 -15.971 -0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.305 -16.584 0.933 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.205 -14.696 -0.812 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.757 -14.743 0.850 1.00 0.00 H new ATOM 258 N VAL A 20 1.829 -12.060 0.405 1.00 0.00 N ATOM 259 CA VAL A 20 2.979 -11.645 -0.391 1.00 0.00 C ATOM 260 C VAL A 20 4.039 -10.981 0.480 1.00 0.00 C ATOM 261 O VAL A 20 3.779 -9.970 1.133 1.00 0.00 O ATOM 262 CB VAL A 20 2.564 -10.670 -1.509 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.797 -9.490 -0.931 1.00 0.00 C ATOM 264 CG2 VAL A 20 3.786 -10.195 -2.281 1.00 0.00 C ATOM 0 H VAL A 20 1.476 -11.345 1.041 1.00 0.00 H new ATOM 0 HA VAL A 20 3.395 -12.546 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 20 1.906 -11.196 -2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.512 -8.812 -1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.901 -9.851 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.428 -8.961 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.475 -9.507 -3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.470 -9.685 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.290 -11.052 -2.728 1.00 0.00 H new ATOM 274 N LYS A 21 5.237 -11.556 0.486 1.00 0.00 N ATOM 275 CA LYS A 21 6.340 -11.021 1.275 1.00 0.00 C ATOM 276 C LYS A 21 6.790 -9.668 0.733 1.00 0.00 C ATOM 277 O LYS A 21 7.226 -9.562 -0.413 1.00 0.00 O ATOM 278 CB LYS A 21 7.516 -11.999 1.275 1.00 0.00 C ATOM 279 CG LYS A 21 8.537 -11.723 2.366 1.00 0.00 C ATOM 280 CD LYS A 21 9.378 -12.953 2.666 1.00 0.00 C ATOM 281 CE LYS A 21 8.620 -13.949 3.530 1.00 0.00 C ATOM 282 NZ LYS A 21 9.470 -15.110 3.914 1.00 0.00 N ATOM 0 H LYS A 21 5.469 -12.394 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 21 5.989 -10.885 2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.134 -13.013 1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.012 -11.957 0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.186 -10.903 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.024 -11.401 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.672 -13.431 1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.295 -12.653 3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.260 -13.449 4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.742 -14.304 2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.917 -15.766 4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.793 -15.602 3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.294 -14.774 4.452 1.00 0.00 H new ATOM 296 N TRP A 22 6.682 -8.637 1.564 1.00 0.00 N ATOM 297 CA TRP A 22 7.080 -7.291 1.168 1.00 0.00 C ATOM 298 C TRP A 22 8.589 -7.111 1.291 1.00 0.00 C ATOM 299 O TRP A 22 9.155 -7.274 2.371 1.00 0.00 O ATOM 300 CB TRP A 22 6.358 -6.251 2.026 1.00 0.00 C ATOM 301 CG TRP A 22 4.895 -6.140 1.719 1.00 0.00 C ATOM 302 CD1 TRP A 22 3.858 -6.381 2.574 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.307 -5.762 0.469 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.661 -6.176 1.931 1.00 0.00 N ATOM 305 CE2 TRP A 22 2.909 -5.794 0.639 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.826 -5.397 -0.776 1.00 0.00 C ATOM 307 CZ2 TRP A 22 2.027 -5.477 -0.390 1.00 0.00 C ATOM 308 CZ3 TRP A 22 3.949 -5.082 -1.796 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.562 -5.123 -1.599 1.00 0.00 C ATOM 0 H TRP A 22 6.322 -8.708 2.516 1.00 0.00 H new ATOM 0 HA TRP A 22 6.800 -7.148 0.124 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.483 -6.508 3.078 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.828 -5.279 1.878 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.963 -6.688 3.604 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.737 -6.290 2.348 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.893 -5.362 -0.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.958 -5.509 -0.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.339 -4.799 -2.762 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.903 -4.871 -2.417 1.00 0.00 H new ATOM 320 N GLU A 23 9.233 -6.774 0.178 1.00 0.00 N ATOM 321 CA GLU A 23 10.677 -6.573 0.164 1.00 0.00 C ATOM 322 C GLU A 23 11.019 -5.086 0.147 1.00 0.00 C ATOM 323 O GLU A 23 10.195 -4.253 -0.229 1.00 0.00 O ATOM 324 CB GLU A 23 11.299 -7.264 -1.052 1.00 0.00 C ATOM 325 CG GLU A 23 11.102 -8.771 -1.062 1.00 0.00 C ATOM 326 CD GLU A 23 12.016 -9.472 -2.049 1.00 0.00 C ATOM 327 OE1 GLU A 23 12.461 -8.815 -3.014 1.00 0.00 O ATOM 328 OE2 GLU A 23 12.285 -10.675 -1.856 1.00 0.00 O ATOM 0 H GLU A 23 8.778 -6.635 -0.724 1.00 0.00 H new ATOM 0 HA GLU A 23 11.088 -7.013 1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.866 -6.843 -1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.367 -7.045 -1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.284 -9.164 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.065 -8.997 -1.310 1.00 0.00 H new ATOM 335 N ASN A 24 12.241 -4.761 0.558 1.00 0.00 N ATOM 336 CA ASN A 24 12.692 -3.375 0.592 1.00 0.00 C ATOM 337 C ASN A 24 12.759 -2.790 -0.816 1.00 0.00 C ATOM 338 O ASN A 24 13.004 -3.507 -1.786 1.00 0.00 O ATOM 339 CB ASN A 24 14.065 -3.280 1.261 1.00 0.00 C ATOM 340 CG ASN A 24 14.040 -3.756 2.701 1.00 0.00 C ATOM 341 OD1 ASN A 24 13.800 -4.932 2.973 1.00 0.00 O ATOM 342 ND2 ASN A 24 14.289 -2.841 3.631 1.00 0.00 N ATOM 0 H ASN A 24 12.936 -5.439 0.872 1.00 0.00 H new ATOM 0 HA ASN A 24 11.971 -2.799 1.172 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.783 -3.875 0.697 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.411 -2.247 1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.286 -3.102 4.617 1.00 0.00 H new ATOM 0 HD22 ASN A 24 14.483 -1.877 3.359 1.00 0.00 H new ATOM 349 N ASP A 25 12.539 -1.484 -0.918 1.00 0.00 N ATOM 350 CA ASP A 25 12.576 -0.801 -2.207 1.00 0.00 C ATOM 351 C ASP A 25 11.540 -1.387 -3.162 1.00 0.00 C ATOM 352 O ASP A 25 11.865 -1.773 -4.284 1.00 0.00 O ATOM 353 CB ASP A 25 13.972 -0.904 -2.823 1.00 0.00 C ATOM 354 CG ASP A 25 14.075 -0.176 -4.149 1.00 0.00 C ATOM 355 OD1 ASP A 25 13.500 0.927 -4.266 1.00 0.00 O ATOM 356 OD2 ASP A 25 14.730 -0.709 -5.068 1.00 0.00 O ATOM 0 H ASP A 25 12.333 -0.877 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 25 12.338 0.250 -2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.704 -0.492 -2.128 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.225 -1.954 -2.968 1.00 0.00 H new ATOM 361 N MET A 26 10.293 -1.452 -2.707 1.00 0.00 N ATOM 362 CA MET A 26 9.210 -1.991 -3.522 1.00 0.00 C ATOM 363 C MET A 26 8.047 -1.007 -3.600 1.00 0.00 C ATOM 364 O MET A 26 7.939 -0.092 -2.782 1.00 0.00 O ATOM 365 CB MET A 26 8.728 -3.325 -2.948 1.00 0.00 C ATOM 366 CG MET A 26 9.465 -4.530 -3.509 1.00 0.00 C ATOM 367 SD MET A 26 8.637 -6.087 -3.135 1.00 0.00 S ATOM 368 CE MET A 26 7.258 -6.020 -4.277 1.00 0.00 C ATOM 0 H MET A 26 10.007 -1.139 -1.779 1.00 0.00 H new ATOM 0 HA MET A 26 9.592 -2.154 -4.530 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.847 -3.309 -1.865 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.663 -3.434 -3.150 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.558 -4.423 -4.590 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.476 -4.554 -3.103 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.808 -7.009 -4.362 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.514 -5.313 -3.909 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.612 -5.697 -5.256 1.00 0.00 H new ATOM 378 N HIS A 27 7.180 -1.200 -4.588 1.00 0.00 N ATOM 379 CA HIS A 27 6.024 -0.329 -4.773 1.00 0.00 C ATOM 380 C HIS A 27 4.737 -1.043 -4.372 1.00 0.00 C ATOM 381 O HIS A 27 4.603 -2.253 -4.558 1.00 0.00 O ATOM 382 CB HIS A 27 5.934 0.132 -6.227 1.00 0.00 C ATOM 383 CG HIS A 27 6.973 1.145 -6.600 1.00 0.00 C ATOM 384 ND1 HIS A 27 7.214 1.532 -7.902 1.00 0.00 N ATOM 385 CD2 HIS A 27 7.834 1.853 -5.833 1.00 0.00 C ATOM 386 CE1 HIS A 27 8.180 2.432 -7.919 1.00 0.00 C ATOM 387 NE2 HIS A 27 8.573 2.646 -6.676 1.00 0.00 N ATOM 0 H HIS A 27 7.255 -1.952 -5.273 1.00 0.00 H new ATOM 0 HA HIS A 27 6.150 0.543 -4.131 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.032 -0.735 -6.881 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.945 0.555 -6.405 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.923 1.804 -4.758 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.581 2.912 -8.800 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.306 3.295 -6.389 1.00 0.00 H new ATOM 395 N CYS A 28 3.794 -0.287 -3.821 1.00 0.00 N ATOM 396 CA CYS A 28 2.517 -0.847 -3.393 1.00 0.00 C ATOM 397 C CYS A 28 1.507 0.258 -3.103 1.00 0.00 C ATOM 398 O CYS A 28 1.879 1.413 -2.894 1.00 0.00 O ATOM 399 CB CYS A 28 2.710 -1.717 -2.150 1.00 0.00 C ATOM 400 SG CYS A 28 3.474 -0.854 -0.757 1.00 0.00 S ATOM 0 H CYS A 28 3.890 0.716 -3.660 1.00 0.00 H new ATOM 0 HA CYS A 28 2.129 -1.464 -4.204 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.740 -2.104 -1.836 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.326 -2.577 -2.413 1.00 0.00 H new ATOM 0 HG CYS A 28 4.016 0.251 -1.176 1.00 0.00 H new ATOM 406 N ALA A 29 0.228 -0.103 -3.095 1.00 0.00 N ATOM 407 CA ALA A 29 -0.835 0.858 -2.831 1.00 0.00 C ATOM 408 C ALA A 29 -1.447 0.636 -1.452 1.00 0.00 C ATOM 409 O ALA A 29 -1.982 -0.435 -1.165 1.00 0.00 O ATOM 410 CB ALA A 29 -1.907 0.768 -3.907 1.00 0.00 C ATOM 0 H ALA A 29 -0.097 -1.054 -3.268 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.400 1.857 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.695 1.491 -3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.465 0.985 -4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.330 -0.237 -3.916 1.00 0.00 H new ATOM 416 N VAL A 30 -1.363 1.654 -0.601 1.00 0.00 N ATOM 417 CA VAL A 30 -1.908 1.569 0.748 1.00 0.00 C ATOM 418 C VAL A 30 -3.232 2.318 0.854 1.00 0.00 C ATOM 419 O VAL A 30 -3.438 3.333 0.188 1.00 0.00 O ATOM 420 CB VAL A 30 -0.925 2.137 1.788 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.359 3.468 1.317 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.607 2.287 3.140 1.00 0.00 C ATOM 0 H VAL A 30 -0.923 2.547 -0.822 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.074 0.512 0.956 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.097 1.437 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.334 3.854 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.168 3.326 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.173 4.179 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.897 2.690 3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.455 2.966 3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.958 1.313 3.480 1.00 0.00 H new ATOM 432 N LYS A 31 -4.127 1.812 1.696 1.00 0.00 N ATOM 433 CA LYS A 31 -5.431 2.434 1.891 1.00 0.00 C ATOM 434 C LYS A 31 -5.469 3.217 3.199 1.00 0.00 C ATOM 435 O LYS A 31 -4.965 2.757 4.224 1.00 0.00 O ATOM 436 CB LYS A 31 -6.531 1.370 1.889 1.00 0.00 C ATOM 437 CG LYS A 31 -6.831 0.802 3.266 1.00 0.00 C ATOM 438 CD LYS A 31 -7.564 -0.526 3.174 1.00 0.00 C ATOM 439 CE LYS A 31 -8.360 -0.812 4.438 1.00 0.00 C ATOM 440 NZ LYS A 31 -9.537 -1.683 4.167 1.00 0.00 N ATOM 0 H LYS A 31 -3.973 0.972 2.254 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.603 3.127 1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.443 1.803 1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.237 0.556 1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.900 0.667 3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.434 1.513 3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.235 -0.514 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.846 -1.328 3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.714 -1.293 5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.697 0.128 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.053 -1.855 5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.166 -1.214 3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.214 -2.590 3.773 1.00 0.00 H new ATOM 454 N ILE A 32 -6.071 4.401 3.157 1.00 0.00 N ATOM 455 CA ILE A 32 -6.177 5.246 4.340 1.00 0.00 C ATOM 456 C ILE A 32 -7.407 4.884 5.166 1.00 0.00 C ATOM 457 O ILE A 32 -8.451 4.530 4.619 1.00 0.00 O ATOM 458 CB ILE A 32 -6.248 6.737 3.962 1.00 0.00 C ATOM 459 CG1 ILE A 32 -5.189 7.069 2.908 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.064 7.606 5.197 1.00 0.00 C ATOM 461 CD1 ILE A 32 -5.437 8.380 2.195 1.00 0.00 C ATOM 0 H ILE A 32 -6.493 4.797 2.317 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.279 5.072 4.933 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.232 6.943 3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.210 7.104 3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.155 6.265 2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.117 8.657 4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.851 7.385 5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.092 7.400 5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.648 8.551 1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.401 8.342 1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.441 9.194 2.920 1.00 0.00 H new ATOM 473 N GLN A 33 -7.275 4.977 6.485 1.00 0.00 N ATOM 474 CA GLN A 33 -8.377 4.660 7.387 1.00 0.00 C ATOM 475 C GLN A 33 -9.306 5.858 7.553 1.00 0.00 C ATOM 476 O GLN A 33 -10.529 5.716 7.525 1.00 0.00 O ATOM 477 CB GLN A 33 -7.838 4.225 8.751 1.00 0.00 C ATOM 478 CG GLN A 33 -7.109 5.329 9.498 1.00 0.00 C ATOM 479 CD GLN A 33 -6.145 4.792 10.538 1.00 0.00 C ATOM 480 OE1 GLN A 33 -5.616 3.689 10.400 1.00 0.00 O ATOM 481 NE2 GLN A 33 -5.911 5.572 11.587 1.00 0.00 N ATOM 0 H GLN A 33 -6.417 5.269 6.953 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.946 3.839 6.950 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.667 3.870 9.363 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.160 3.383 8.613 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.562 5.945 8.785 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.839 5.976 9.984 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.371 6.479 11.661 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.271 5.264 12.319 1.00 0.00 H new ATOM 490 N ASP A 34 -8.719 7.037 7.726 1.00 0.00 N ATOM 491 CA ASP A 34 -9.494 8.260 7.896 1.00 0.00 C ATOM 492 C ASP A 34 -10.117 8.697 6.574 1.00 0.00 C ATOM 493 O ASP A 34 -11.251 9.176 6.538 1.00 0.00 O ATOM 494 CB ASP A 34 -8.609 9.378 8.450 1.00 0.00 C ATOM 495 CG ASP A 34 -7.643 8.880 9.508 1.00 0.00 C ATOM 496 OD1 ASP A 34 -8.087 8.637 10.650 1.00 0.00 O ATOM 497 OD2 ASP A 34 -6.444 8.734 9.194 1.00 0.00 O ATOM 0 H ASP A 34 -7.708 7.172 7.752 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.296 8.056 8.606 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.047 9.831 7.633 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.239 10.159 8.876 1.00 0.00 H new ATOM 502 N LYS A 35 -9.369 8.528 5.489 1.00 0.00 N ATOM 503 CA LYS A 35 -9.847 8.904 4.164 1.00 0.00 C ATOM 504 C LYS A 35 -10.248 7.671 3.360 1.00 0.00 C ATOM 505 O LYS A 35 -9.998 6.540 3.775 1.00 0.00 O ATOM 506 CB LYS A 35 -8.767 9.686 3.413 1.00 0.00 C ATOM 507 CG LYS A 35 -8.191 10.844 4.208 1.00 0.00 C ATOM 508 CD LYS A 35 -9.283 11.768 4.720 1.00 0.00 C ATOM 509 CE LYS A 35 -8.774 13.190 4.896 1.00 0.00 C ATOM 510 NZ LYS A 35 -9.863 14.193 4.735 1.00 0.00 N ATOM 0 H LYS A 35 -8.429 8.133 5.501 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.726 9.537 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.960 9.005 3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.188 10.068 2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.616 10.458 5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.500 11.408 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.121 11.764 4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.660 11.395 5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.326 13.296 5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.988 13.387 4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.475 15.150 4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.274 14.110 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.601 14.021 5.447 1.00 0.00 H new ATOM 524 N ASN A 36 -10.871 7.898 2.208 1.00 0.00 N ATOM 525 CA ASN A 36 -11.306 6.805 1.346 1.00 0.00 C ATOM 526 C ASN A 36 -10.541 6.816 0.026 1.00 0.00 C ATOM 527 O ASN A 36 -11.012 6.285 -0.979 1.00 0.00 O ATOM 528 CB ASN A 36 -12.809 6.906 1.078 1.00 0.00 C ATOM 529 CG ASN A 36 -13.278 8.342 0.949 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.143 9.137 1.879 1.00 0.00 O ATOM 531 ND2 ASN A 36 -13.833 8.681 -0.209 1.00 0.00 N ATOM 0 H ASN A 36 -11.086 8.829 1.850 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.098 5.866 1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.049 6.365 0.163 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.353 6.420 1.888 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.168 9.633 -0.355 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.925 7.989 -0.953 1.00 0.00 H new ATOM 538 N GLN A 37 -9.359 7.424 0.038 1.00 0.00 N ATOM 539 CA GLN A 37 -8.529 7.504 -1.158 1.00 0.00 C ATOM 540 C GLN A 37 -7.299 6.612 -1.028 1.00 0.00 C ATOM 541 O GLN A 37 -6.566 6.690 -0.043 1.00 0.00 O ATOM 542 CB GLN A 37 -8.100 8.950 -1.411 1.00 0.00 C ATOM 543 CG GLN A 37 -9.256 9.877 -1.754 1.00 0.00 C ATOM 544 CD GLN A 37 -8.873 11.341 -1.677 1.00 0.00 C ATOM 545 OE1 GLN A 37 -8.849 11.933 -0.597 1.00 0.00 O ATOM 546 NE2 GLN A 37 -8.569 11.935 -2.825 1.00 0.00 N ATOM 0 H GLN A 37 -8.955 7.868 0.862 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.121 7.155 -2.004 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.591 9.330 -0.525 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.376 8.968 -2.226 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.612 9.651 -2.759 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.085 9.686 -1.072 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.602 11.407 -3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.303 12.920 -2.835 1.00 0.00 H new ATOM 555 N TRP A 38 -7.081 5.765 -2.028 1.00 0.00 N ATOM 556 CA TRP A 38 -5.939 4.857 -2.024 1.00 0.00 C ATOM 557 C TRP A 38 -4.665 5.584 -2.440 1.00 0.00 C ATOM 558 O TRP A 38 -4.585 6.137 -3.537 1.00 0.00 O ATOM 559 CB TRP A 38 -6.198 3.677 -2.963 1.00 0.00 C ATOM 560 CG TRP A 38 -7.013 2.587 -2.336 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.373 2.542 -2.223 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.519 1.386 -1.733 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.755 1.386 -1.587 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.636 0.659 -1.277 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.243 0.853 -1.536 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.512 -0.571 -0.636 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.121 -0.367 -0.899 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.250 -1.069 -0.456 1.00 0.00 C ATOM 0 H TRP A 38 -7.679 5.688 -2.851 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.806 4.483 -1.009 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.711 4.037 -3.855 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.243 3.265 -3.289 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.049 3.304 -2.581 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.716 1.113 -1.379 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.367 1.385 -1.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.381 -1.113 -0.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.139 -0.787 -0.740 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.122 -2.021 0.037 1.00 0.00 H new ATOM 579 N ARG A 39 -3.671 5.578 -1.558 1.00 0.00 N ATOM 580 CA ARG A 39 -2.401 6.238 -1.834 1.00 0.00 C ATOM 581 C ARG A 39 -1.294 5.213 -2.063 1.00 0.00 C ATOM 582 O ARG A 39 -1.419 4.052 -1.672 1.00 0.00 O ATOM 583 CB ARG A 39 -2.021 7.164 -0.677 1.00 0.00 C ATOM 584 CG ARG A 39 -2.878 8.416 -0.592 1.00 0.00 C ATOM 585 CD ARG A 39 -2.294 9.548 -1.422 1.00 0.00 C ATOM 586 NE ARG A 39 -3.329 10.442 -1.934 1.00 0.00 N ATOM 587 CZ ARG A 39 -4.069 11.229 -1.161 1.00 0.00 C ATOM 588 NH1 ARG A 39 -3.888 11.233 0.153 1.00 0.00 N ATOM 589 NH2 ARG A 39 -4.992 12.015 -1.701 1.00 0.00 N ATOM 0 H ARG A 39 -3.721 5.123 -0.646 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.518 6.830 -2.742 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.103 6.613 0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.976 7.456 -0.784 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.887 8.192 -0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.961 8.731 0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.591 10.118 -0.814 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.729 9.132 -2.256 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.493 10.463 -2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.179 10.631 0.572 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.457 11.838 0.744 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.134 12.015 -2.711 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.559 12.619 -1.106 1.00 0.00 H new ATOM 603 N ARG A 40 -0.213 5.649 -2.701 1.00 0.00 N ATOM 604 CA ARG A 40 0.914 4.770 -2.984 1.00 0.00 C ATOM 605 C ARG A 40 1.973 4.872 -1.890 1.00 0.00 C ATOM 606 O ARG A 40 2.054 5.876 -1.183 1.00 0.00 O ATOM 607 CB ARG A 40 1.532 5.117 -4.340 1.00 0.00 C ATOM 608 CG ARG A 40 0.648 4.755 -5.523 1.00 0.00 C ATOM 609 CD ARG A 40 1.406 4.859 -6.837 1.00 0.00 C ATOM 610 NE ARG A 40 1.356 6.209 -7.392 1.00 0.00 N ATOM 611 CZ ARG A 40 1.931 6.554 -8.539 1.00 0.00 C ATOM 612 NH1 ARG A 40 2.597 5.652 -9.248 1.00 0.00 N ATOM 613 NH2 ARG A 40 1.841 7.802 -8.979 1.00 0.00 N ATOM 0 H ARG A 40 -0.094 6.607 -3.032 1.00 0.00 H new ATOM 0 HA ARG A 40 0.543 3.745 -3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.745 6.186 -4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.486 4.599 -4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.270 3.740 -5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.218 5.417 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.445 4.570 -6.680 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.985 4.156 -7.555 1.00 0.00 H new ATOM 0 HE ARG A 40 0.852 6.926 -6.870 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.668 4.691 -8.913 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.038 5.919 -10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.330 8.498 -8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.283 8.065 -9.860 1.00 0.00 H new ATOM 627 N GLY A 41 2.782 3.826 -1.756 1.00 0.00 N ATOM 628 CA GLY A 41 3.824 3.818 -0.746 1.00 0.00 C ATOM 629 C GLY A 41 5.001 2.946 -1.134 1.00 0.00 C ATOM 630 O GLY A 41 4.847 1.981 -1.881 1.00 0.00 O ATOM 0 H GLY A 41 2.734 2.984 -2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.171 4.838 -0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.409 3.463 0.197 1.00 0.00 H new ATOM 634 N GLN A 42 6.182 3.289 -0.628 1.00 0.00 N ATOM 635 CA GLN A 42 7.390 2.531 -0.929 1.00 0.00 C ATOM 636 C GLN A 42 7.881 1.776 0.303 1.00 0.00 C ATOM 637 O GLN A 42 8.210 2.382 1.323 1.00 0.00 O ATOM 638 CB GLN A 42 8.489 3.464 -1.440 1.00 0.00 C ATOM 639 CG GLN A 42 9.593 2.746 -2.200 1.00 0.00 C ATOM 640 CD GLN A 42 10.548 3.704 -2.884 1.00 0.00 C ATOM 641 OE1 GLN A 42 10.128 4.678 -3.508 1.00 0.00 O ATOM 642 NE2 GLN A 42 11.843 3.431 -2.769 1.00 0.00 N ATOM 0 H GLN A 42 6.327 4.086 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 42 7.148 1.805 -1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.042 4.216 -2.090 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.927 3.993 -0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.151 2.113 -1.510 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.147 2.089 -2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.147 2.612 -2.242 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.534 4.040 -3.208 1.00 0.00 H new ATOM 651 N ILE A 43 7.925 0.452 0.200 1.00 0.00 N ATOM 652 CA ILE A 43 8.376 -0.384 1.306 1.00 0.00 C ATOM 653 C ILE A 43 9.649 0.173 1.934 1.00 0.00 C ATOM 654 O ILE A 43 10.757 -0.153 1.508 1.00 0.00 O ATOM 655 CB ILE A 43 8.634 -1.832 0.847 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.410 -2.384 0.115 1.00 0.00 C ATOM 657 CG2 ILE A 43 8.986 -2.710 2.039 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.128 -2.273 0.911 1.00 0.00 C ATOM 0 H ILE A 43 7.654 -0.064 -0.637 1.00 0.00 H new ATOM 0 HA ILE A 43 7.578 -0.383 2.048 1.00 0.00 H new ATOM 0 HB ILE A 43 9.478 -1.834 0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.290 -1.851 -0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.586 -3.431 -0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.166 -3.730 1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.884 -2.325 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.161 -2.705 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.302 -2.684 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.229 -2.830 1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.928 -1.225 1.135 1.00 0.00 H new ATOM 670 N ILE A 44 9.482 1.015 2.948 1.00 0.00 N ATOM 671 CA ILE A 44 10.618 1.615 3.637 1.00 0.00 C ATOM 672 C ILE A 44 11.345 0.587 4.497 1.00 0.00 C ATOM 673 O ILE A 44 12.498 0.247 4.233 1.00 0.00 O ATOM 674 CB ILE A 44 10.178 2.793 4.526 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.658 3.945 3.664 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.334 3.258 5.399 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.279 5.173 4.461 1.00 0.00 C ATOM 0 H ILE A 44 8.571 1.297 3.311 1.00 0.00 H new ATOM 0 HA ILE A 44 11.295 1.984 2.867 1.00 0.00 H new ATOM 0 HB ILE A 44 9.370 2.457 5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.422 4.216 2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.788 3.604 3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.008 4.091 6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.663 2.436 6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.161 3.580 4.766 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.919 5.949 3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.493 4.917 5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.152 5.539 5.002 1.00 0.00 H new ATOM 689 N ARG A 45 10.663 0.096 5.526 1.00 0.00 N ATOM 690 CA ARG A 45 11.244 -0.894 6.425 1.00 0.00 C ATOM 691 C ARG A 45 10.152 -1.696 7.129 1.00 0.00 C ATOM 692 O ARG A 45 9.308 -1.134 7.826 1.00 0.00 O ATOM 693 CB ARG A 45 12.138 -0.211 7.461 1.00 0.00 C ATOM 694 CG ARG A 45 11.388 0.264 8.695 1.00 0.00 C ATOM 695 CD ARG A 45 12.206 1.270 9.490 1.00 0.00 C ATOM 696 NE ARG A 45 13.176 0.618 10.365 1.00 0.00 N ATOM 697 CZ ARG A 45 14.198 1.250 10.930 1.00 0.00 C ATOM 698 NH1 ARG A 45 14.383 2.545 10.712 1.00 0.00 N ATOM 699 NH2 ARG A 45 15.039 0.588 11.714 1.00 0.00 N ATOM 0 H ARG A 45 9.708 0.367 5.758 1.00 0.00 H new ATOM 0 HA ARG A 45 11.848 -1.579 5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.921 -0.905 7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.632 0.642 6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.443 0.717 8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.146 -0.591 9.327 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.728 1.936 8.803 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.537 1.889 10.088 1.00 0.00 H new ATOM 0 HE ARG A 45 13.062 -0.378 10.553 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.739 3.058 10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.169 3.028 11.147 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.901 -0.408 11.884 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.823 1.075 12.147 1.00 0.00 H new ATOM 713 N MET A 46 10.177 -3.011 6.941 1.00 0.00 N ATOM 714 CA MET A 46 9.191 -3.889 7.559 1.00 0.00 C ATOM 715 C MET A 46 9.363 -3.920 9.075 1.00 0.00 C ATOM 716 O MET A 46 10.344 -4.459 9.587 1.00 0.00 O ATOM 717 CB MET A 46 9.310 -5.305 6.992 1.00 0.00 C ATOM 718 CG MET A 46 8.517 -5.516 5.712 1.00 0.00 C ATOM 719 SD MET A 46 8.160 -7.255 5.395 1.00 0.00 S ATOM 720 CE MET A 46 6.677 -7.480 6.375 1.00 0.00 C ATOM 0 H MET A 46 10.869 -3.492 6.366 1.00 0.00 H new ATOM 0 HA MET A 46 8.200 -3.496 7.332 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.360 -5.523 6.799 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.969 -6.018 7.743 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.580 -4.962 5.774 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.075 -5.105 4.871 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.560 -8.535 6.621 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.757 -6.899 7.294 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.810 -7.142 5.806 1.00 0.00 H new ATOM 730 N VAL A 47 8.403 -3.338 9.787 1.00 0.00 N ATOM 731 CA VAL A 47 8.449 -3.300 11.244 1.00 0.00 C ATOM 732 C VAL A 47 8.105 -4.660 11.841 1.00 0.00 C ATOM 733 O VAL A 47 8.958 -5.329 12.425 1.00 0.00 O ATOM 734 CB VAL A 47 7.481 -2.243 11.808 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.598 -2.166 13.323 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.746 -0.886 11.175 1.00 0.00 C ATOM 0 H VAL A 47 7.584 -2.887 9.379 1.00 0.00 H new ATOM 0 HA VAL A 47 9.469 -3.033 11.522 1.00 0.00 H new ATOM 0 HB VAL A 47 6.462 -2.540 11.561 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.907 -1.414 13.704 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.354 -3.136 13.757 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.617 -1.893 13.596 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.053 -0.152 11.585 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.770 -0.578 11.389 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.606 -0.954 10.096 1.00 0.00 H new ATOM 746 N THR A 48 6.847 -5.064 11.690 1.00 0.00 N ATOM 747 CA THR A 48 6.388 -6.345 12.214 1.00 0.00 C ATOM 748 C THR A 48 5.749 -7.190 11.118 1.00 0.00 C ATOM 749 O THR A 48 5.569 -6.729 9.991 1.00 0.00 O ATOM 750 CB THR A 48 5.374 -6.153 13.356 1.00 0.00 C ATOM 751 OG1 THR A 48 4.101 -5.770 12.822 1.00 0.00 O ATOM 752 CG2 THR A 48 5.857 -5.095 14.337 1.00 0.00 C ATOM 0 H THR A 48 6.128 -4.523 11.209 1.00 0.00 H new ATOM 0 HA THR A 48 7.266 -6.862 12.601 1.00 0.00 H new ATOM 0 HB THR A 48 5.275 -7.100 13.887 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.508 -5.497 13.553 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.124 -4.977 15.135 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.811 -5.403 14.764 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.982 -4.146 13.816 1.00 0.00 H new ATOM 760 N ASP A 49 5.408 -8.428 11.457 1.00 0.00 N ATOM 761 CA ASP A 49 4.786 -9.338 10.502 1.00 0.00 C ATOM 762 C ASP A 49 3.413 -8.827 10.078 1.00 0.00 C ATOM 763 O ASP A 49 2.795 -9.361 9.157 1.00 0.00 O ATOM 764 CB ASP A 49 4.659 -10.737 11.106 1.00 0.00 C ATOM 765 CG ASP A 49 5.965 -11.235 11.694 1.00 0.00 C ATOM 766 OD1 ASP A 49 7.013 -11.073 11.034 1.00 0.00 O ATOM 767 OD2 ASP A 49 5.938 -11.786 12.814 1.00 0.00 O ATOM 0 H ASP A 49 5.552 -8.825 12.386 1.00 0.00 H new ATOM 0 HA ASP A 49 5.423 -9.388 9.619 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.895 -10.726 11.883 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.322 -11.432 10.337 1.00 0.00 H new ATOM 772 N THR A 50 2.938 -7.788 10.759 1.00 0.00 N ATOM 773 CA THR A 50 1.637 -7.205 10.455 1.00 0.00 C ATOM 774 C THR A 50 1.768 -5.732 10.084 1.00 0.00 C ATOM 775 O THR A 50 0.916 -5.179 9.387 1.00 0.00 O ATOM 776 CB THR A 50 0.670 -7.339 11.646 1.00 0.00 C ATOM 777 OG1 THR A 50 1.345 -7.006 12.865 1.00 0.00 O ATOM 778 CG2 THR A 50 0.116 -8.753 11.737 1.00 0.00 C ATOM 0 H THR A 50 3.435 -7.333 11.525 1.00 0.00 H new ATOM 0 HA THR A 50 1.234 -7.756 9.605 1.00 0.00 H new ATOM 0 HB THR A 50 -0.160 -6.650 11.491 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.170 -6.519 12.659 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.564 -8.823 12.586 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.422 -8.993 10.820 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.937 -9.457 11.871 1.00 0.00 H new ATOM 786 N LEU A 51 2.838 -5.101 10.553 1.00 0.00 N ATOM 787 CA LEU A 51 3.081 -3.691 10.270 1.00 0.00 C ATOM 788 C LEU A 51 4.255 -3.522 9.311 1.00 0.00 C ATOM 789 O LEU A 51 5.163 -4.353 9.272 1.00 0.00 O ATOM 790 CB LEU A 51 3.354 -2.929 11.568 1.00 0.00 C ATOM 791 CG LEU A 51 2.223 -2.929 12.597 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.668 -2.244 13.880 1.00 0.00 C ATOM 793 CD2 LEU A 51 0.986 -2.249 12.029 1.00 0.00 C ATOM 0 H LEU A 51 3.552 -5.544 11.132 1.00 0.00 H new ATOM 0 HA LEU A 51 2.188 -3.282 9.797 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.243 -3.353 12.035 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.589 -1.895 11.316 1.00 0.00 H new ATOM 0 HG LEU A 51 1.970 -3.963 12.831 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.850 -2.254 14.600 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.525 -2.773 14.297 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.949 -1.213 13.664 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.191 -2.258 12.775 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.225 -1.219 11.766 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.654 -2.783 11.138 1.00 0.00 H new ATOM 805 N VAL A 52 4.232 -2.440 8.540 1.00 0.00 N ATOM 806 CA VAL A 52 5.296 -2.159 7.583 1.00 0.00 C ATOM 807 C VAL A 52 5.407 -0.664 7.307 1.00 0.00 C ATOM 808 O VAL A 52 4.406 0.008 7.066 1.00 0.00 O ATOM 809 CB VAL A 52 5.064 -2.900 6.253 1.00 0.00 C ATOM 810 CG1 VAL A 52 6.043 -2.415 5.194 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.184 -4.403 6.453 1.00 0.00 C ATOM 0 H VAL A 52 3.488 -1.743 8.559 1.00 0.00 H new ATOM 0 HA VAL A 52 6.225 -2.512 8.030 1.00 0.00 H new ATOM 0 HB VAL A 52 4.054 -2.682 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.864 -2.950 4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.904 -1.346 5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.063 -2.601 5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.017 -4.911 5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.181 -4.642 6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.440 -4.734 7.177 1.00 0.00 H new ATOM 821 N GLU A 53 6.633 -0.151 7.344 1.00 0.00 N ATOM 822 CA GLU A 53 6.875 1.266 7.098 1.00 0.00 C ATOM 823 C GLU A 53 6.980 1.548 5.602 1.00 0.00 C ATOM 824 O GLU A 53 7.794 0.946 4.901 1.00 0.00 O ATOM 825 CB GLU A 53 8.154 1.719 7.805 1.00 0.00 C ATOM 826 CG GLU A 53 8.143 3.185 8.203 1.00 0.00 C ATOM 827 CD GLU A 53 9.205 3.517 9.233 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.135 2.973 10.355 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.106 4.323 8.918 1.00 0.00 O ATOM 0 H GLU A 53 7.473 -0.695 7.542 1.00 0.00 H new ATOM 0 HA GLU A 53 6.030 1.827 7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.301 1.110 8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.006 1.535 7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.297 3.800 7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.162 3.442 8.602 1.00 0.00 H new ATOM 836 N VAL A 54 6.151 2.468 5.119 1.00 0.00 N ATOM 837 CA VAL A 54 6.151 2.831 3.707 1.00 0.00 C ATOM 838 C VAL A 54 6.287 4.339 3.527 1.00 0.00 C ATOM 839 O VAL A 54 6.019 5.112 4.448 1.00 0.00 O ATOM 840 CB VAL A 54 4.865 2.355 3.005 1.00 0.00 C ATOM 841 CG1 VAL A 54 4.961 0.878 2.658 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.650 2.628 3.879 1.00 0.00 C ATOM 0 H VAL A 54 5.471 2.975 5.685 1.00 0.00 H new ATOM 0 HA VAL A 54 7.009 2.335 3.253 1.00 0.00 H new ATOM 0 HB VAL A 54 4.750 2.914 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.043 0.560 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.808 0.715 1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.100 0.298 3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.750 2.286 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.755 2.096 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.573 3.698 4.071 1.00 0.00 H new ATOM 852 N LEU A 55 6.704 4.751 2.335 1.00 0.00 N ATOM 853 CA LEU A 55 6.876 6.168 2.033 1.00 0.00 C ATOM 854 C LEU A 55 5.916 6.611 0.933 1.00 0.00 C ATOM 855 O LEU A 55 5.950 6.089 -0.182 1.00 0.00 O ATOM 856 CB LEU A 55 8.319 6.449 1.610 1.00 0.00 C ATOM 857 CG LEU A 55 8.536 7.693 0.747 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.102 8.944 1.496 1.00 0.00 C ATOM 859 CD2 LEU A 55 9.993 7.801 0.324 1.00 0.00 C ATOM 0 H LEU A 55 6.929 4.125 1.562 1.00 0.00 H new ATOM 0 HA LEU A 55 6.652 6.736 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.928 6.544 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.691 5.583 1.063 1.00 0.00 H new ATOM 0 HG LEU A 55 7.924 7.601 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.264 9.819 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.044 8.869 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.687 9.042 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.129 8.692 -0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.625 7.870 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.271 6.918 -0.252 1.00 0.00 H new ATOM 871 N LEU A 56 5.062 7.576 1.254 1.00 0.00 N ATOM 872 CA LEU A 56 4.094 8.092 0.292 1.00 0.00 C ATOM 873 C LEU A 56 4.767 9.015 -0.718 1.00 0.00 C ATOM 874 O LEU A 56 4.290 10.119 -0.980 1.00 0.00 O ATOM 875 CB LEU A 56 2.974 8.840 1.017 1.00 0.00 C ATOM 876 CG LEU A 56 2.336 8.112 2.200 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.322 9.007 2.894 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.681 6.818 1.739 1.00 0.00 C ATOM 0 H LEU A 56 5.020 8.017 2.173 1.00 0.00 H new ATOM 0 HA LEU A 56 3.668 7.245 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.371 9.791 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.192 9.071 0.294 1.00 0.00 H new ATOM 0 HG LEU A 56 3.120 7.864 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.878 8.472 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.819 9.906 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.540 9.287 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.232 6.313 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.909 7.043 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.433 6.170 1.289 1.00 0.00 H new ATOM 890 N TYR A 57 5.878 8.555 -1.283 1.00 0.00 N ATOM 891 CA TYR A 57 6.618 9.340 -2.265 1.00 0.00 C ATOM 892 C TYR A 57 5.669 10.168 -3.126 1.00 0.00 C ATOM 893 O TYR A 57 5.985 11.295 -3.508 1.00 0.00 O ATOM 894 CB TYR A 57 7.460 8.422 -3.152 1.00 0.00 C ATOM 895 CG TYR A 57 6.659 7.334 -3.832 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.468 6.101 -3.221 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.095 7.539 -5.084 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.737 5.104 -3.838 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.362 6.549 -5.708 1.00 0.00 C ATOM 900 CZ TYR A 57 5.186 5.333 -5.081 1.00 0.00 C ATOM 901 OH TYR A 57 4.457 4.343 -5.700 1.00 0.00 O ATOM 0 H TYR A 57 6.286 7.643 -1.078 1.00 0.00 H new ATOM 0 HA TYR A 57 7.279 10.020 -1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.959 9.023 -3.912 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.241 7.962 -2.546 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.898 5.919 -2.247 1.00 0.00 H new ATOM 0 HD2 TYR A 57 6.232 8.489 -5.578 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.598 4.151 -3.349 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.929 6.726 -6.681 1.00 0.00 H new ATOM 0 HH TYR A 57 4.430 3.549 -5.126 1.00 0.00 H new ATOM 911 N ASP A 58 4.506 9.602 -3.427 1.00 0.00 N ATOM 912 CA ASP A 58 3.510 10.287 -4.241 1.00 0.00 C ATOM 913 C ASP A 58 3.224 11.681 -3.692 1.00 0.00 C ATOM 914 O ASP A 58 3.287 12.672 -4.420 1.00 0.00 O ATOM 915 CB ASP A 58 2.217 9.472 -4.296 1.00 0.00 C ATOM 916 CG ASP A 58 1.128 10.167 -5.091 1.00 0.00 C ATOM 917 OD1 ASP A 58 1.207 10.158 -6.337 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.198 10.719 -4.467 1.00 0.00 O ATOM 0 H ASP A 58 4.230 8.670 -3.119 1.00 0.00 H new ATOM 0 HA ASP A 58 3.910 10.389 -5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.423 8.499 -4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.862 9.290 -3.282 1.00 0.00 H new ATOM 923 N VAL A 59 2.910 11.750 -2.402 1.00 0.00 N ATOM 924 CA VAL A 59 2.615 13.023 -1.754 1.00 0.00 C ATOM 925 C VAL A 59 3.845 13.577 -1.044 1.00 0.00 C ATOM 926 O VAL A 59 4.153 14.763 -1.148 1.00 0.00 O ATOM 927 CB VAL A 59 1.468 12.881 -0.736 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.195 12.416 -1.426 1.00 0.00 C ATOM 929 CG2 VAL A 59 1.860 11.923 0.378 1.00 0.00 C ATOM 0 H VAL A 59 2.853 10.940 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 59 2.311 13.715 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 59 1.276 13.858 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.604 12.322 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.094 13.143 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.369 11.449 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.038 11.835 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.080 10.943 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.743 12.303 0.891 1.00 0.00 H new ATOM 939 N GLY A 60 4.545 12.708 -0.321 1.00 0.00 N ATOM 940 CA GLY A 60 5.735 13.128 0.396 1.00 0.00 C ATOM 941 C GLY A 60 5.570 13.032 1.899 1.00 0.00 C ATOM 942 O GLY A 60 5.913 13.962 2.630 1.00 0.00 O ATOM 0 H GLY A 60 4.309 11.721 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.579 12.511 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.975 14.156 0.125 1.00 0.00 H new ATOM 946 N VAL A 61 5.041 11.904 2.364 1.00 0.00 N ATOM 947 CA VAL A 61 4.830 11.690 3.791 1.00 0.00 C ATOM 948 C VAL A 61 5.284 10.296 4.210 1.00 0.00 C ATOM 949 O VAL A 61 4.880 9.297 3.617 1.00 0.00 O ATOM 950 CB VAL A 61 3.349 11.872 4.173 1.00 0.00 C ATOM 951 CG1 VAL A 61 3.089 11.336 5.572 1.00 0.00 C ATOM 952 CG2 VAL A 61 2.950 13.337 4.071 1.00 0.00 C ATOM 0 H VAL A 61 4.751 11.125 1.773 1.00 0.00 H new ATOM 0 HA VAL A 61 5.427 12.437 4.315 1.00 0.00 H new ATOM 0 HB VAL A 61 2.738 11.303 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.038 11.473 5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.335 10.275 5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.708 11.875 6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.901 13.448 4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.566 13.930 4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.097 13.684 3.048 1.00 0.00 H new ATOM 962 N GLU A 62 6.127 10.238 5.237 1.00 0.00 N ATOM 963 CA GLU A 62 6.636 8.966 5.735 1.00 0.00 C ATOM 964 C GLU A 62 5.756 8.432 6.863 1.00 0.00 C ATOM 965 O GLU A 62 5.606 9.072 7.904 1.00 0.00 O ATOM 966 CB GLU A 62 8.075 9.125 6.228 1.00 0.00 C ATOM 967 CG GLU A 62 8.999 9.774 5.211 1.00 0.00 C ATOM 968 CD GLU A 62 10.168 10.491 5.858 1.00 0.00 C ATOM 969 OE1 GLU A 62 11.135 9.810 6.256 1.00 0.00 O ATOM 970 OE2 GLU A 62 10.114 11.734 5.966 1.00 0.00 O ATOM 0 H GLU A 62 6.471 11.056 5.739 1.00 0.00 H new ATOM 0 HA GLU A 62 6.618 8.250 4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.074 9.723 7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.470 8.144 6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.377 9.011 4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.430 10.483 4.610 1.00 0.00 H new ATOM 977 N LEU A 63 5.177 7.256 6.647 1.00 0.00 N ATOM 978 CA LEU A 63 4.312 6.635 7.644 1.00 0.00 C ATOM 979 C LEU A 63 4.348 5.115 7.526 1.00 0.00 C ATOM 980 O LEU A 63 4.907 4.569 6.574 1.00 0.00 O ATOM 981 CB LEU A 63 2.876 7.136 7.485 1.00 0.00 C ATOM 982 CG LEU A 63 1.962 6.286 6.602 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.579 6.911 6.507 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.568 6.114 5.217 1.00 0.00 C ATOM 0 H LEU A 63 5.291 6.714 5.791 1.00 0.00 H new ATOM 0 HA LEU A 63 4.680 6.913 8.632 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.426 7.209 8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.908 8.145 7.075 1.00 0.00 H new ATOM 0 HG LEU A 63 1.862 5.301 7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.057 6.292 5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.142 6.981 7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.659 7.909 6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.904 5.506 4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.699 7.092 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.536 5.621 5.302 1.00 0.00 H new ATOM 996 N VAL A 64 3.747 4.436 8.498 1.00 0.00 N ATOM 997 CA VAL A 64 3.707 2.979 8.501 1.00 0.00 C ATOM 998 C VAL A 64 2.274 2.468 8.598 1.00 0.00 C ATOM 999 O VAL A 64 1.514 2.882 9.474 1.00 0.00 O ATOM 1000 CB VAL A 64 4.528 2.397 9.667 1.00 0.00 C ATOM 1001 CG1 VAL A 64 4.097 3.021 10.986 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.389 0.883 9.713 1.00 0.00 C ATOM 0 H VAL A 64 3.281 4.872 9.294 1.00 0.00 H new ATOM 0 HA VAL A 64 4.144 2.649 7.558 1.00 0.00 H new ATOM 0 HB VAL A 64 5.579 2.637 9.505 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.688 2.598 11.799 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.253 4.099 10.947 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.041 2.814 11.159 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.976 0.489 10.543 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.341 0.618 9.851 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.751 0.456 8.778 1.00 0.00 H new ATOM 1012 N VAL A 65 1.910 1.566 7.692 1.00 0.00 N ATOM 1013 CA VAL A 65 0.568 0.996 7.676 1.00 0.00 C ATOM 1014 C VAL A 65 0.613 -0.521 7.813 1.00 0.00 C ATOM 1015 O VAL A 65 1.674 -1.134 7.697 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.182 1.362 6.381 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.208 2.870 6.187 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.456 0.673 5.185 1.00 0.00 C ATOM 0 H VAL A 65 2.526 1.214 6.959 1.00 0.00 H new ATOM 0 HA VAL A 65 0.035 1.419 8.528 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.211 1.014 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.742 3.109 5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.714 3.337 7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.813 3.246 6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.086 0.942 4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.495 0.990 5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.417 -0.407 5.324 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.546 -1.122 8.060 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.640 -2.570 8.213 1.00 0.00 C ATOM 1030 C ASN A 66 -0.642 -3.261 6.853 1.00 0.00 C ATOM 1031 O ASN A 66 -1.329 -2.830 5.926 1.00 0.00 O ATOM 1032 CB ASN A 66 -1.905 -2.941 8.989 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.741 -4.223 9.783 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -0.992 -4.271 10.759 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.443 -5.270 9.366 1.00 0.00 N ATOM 0 H ASN A 66 -1.434 -0.629 8.159 1.00 0.00 H new ATOM 0 HA ASN A 66 0.232 -2.909 8.772 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.164 -2.128 9.667 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.736 -3.052 8.292 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.374 -6.160 9.860 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.052 -5.184 8.552 1.00 0.00 H new ATOM 1042 N VAL A 67 0.129 -4.338 6.741 1.00 0.00 N ATOM 1043 CA VAL A 67 0.215 -5.091 5.495 1.00 0.00 C ATOM 1044 C VAL A 67 -1.167 -5.313 4.892 1.00 0.00 C ATOM 1045 O VAL A 67 -1.317 -5.398 3.673 1.00 0.00 O ATOM 1046 CB VAL A 67 0.895 -6.456 5.710 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.396 -6.282 5.890 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.286 -7.172 6.906 1.00 0.00 C ATOM 0 H VAL A 67 0.703 -4.709 7.498 1.00 0.00 H new ATOM 0 HA VAL A 67 0.818 -4.498 4.807 1.00 0.00 H new ATOM 0 HB VAL A 67 0.728 -7.069 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.860 -7.257 6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.817 -5.813 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.588 -5.651 6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.778 -8.135 7.043 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.421 -6.565 7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.778 -7.330 6.732 1.00 0.00 H new ATOM 1058 N ASP A 68 -2.174 -5.407 5.753 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.546 -5.619 5.304 1.00 0.00 C ATOM 1060 C ASP A 68 -3.961 -4.548 4.301 1.00 0.00 C ATOM 1061 O ASP A 68 -4.632 -4.839 3.309 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.502 -5.614 6.499 1.00 0.00 C ATOM 1063 CG ASP A 68 -4.420 -6.891 7.311 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -3.332 -7.503 7.348 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -5.445 -7.279 7.910 1.00 0.00 O ATOM 0 H ASP A 68 -2.067 -5.340 6.765 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.596 -6.590 4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.272 -4.763 7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.523 -5.478 6.143 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.559 -3.310 4.564 1.00 0.00 N ATOM 1071 CA CYS A 69 -3.890 -2.194 3.685 1.00 0.00 C ATOM 1072 C CYS A 69 -2.989 -2.186 2.454 1.00 0.00 C ATOM 1073 O CYS A 69 -3.417 -1.812 1.361 1.00 0.00 O ATOM 1074 CB CYS A 69 -3.760 -0.869 4.436 1.00 0.00 C ATOM 1075 SG CYS A 69 -4.806 -0.748 5.906 1.00 0.00 S ATOM 0 H CYS A 69 -3.003 -3.053 5.380 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.922 -2.316 3.357 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.720 -0.731 4.731 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.009 -0.053 3.758 1.00 0.00 H new ATOM 0 HG CYS A 69 -4.624 0.407 6.474 1.00 0.00 H new ATOM 1081 N LEU A 70 -1.740 -2.598 2.639 1.00 0.00 N ATOM 1082 CA LEU A 70 -0.777 -2.636 1.544 1.00 0.00 C ATOM 1083 C LEU A 70 -1.265 -3.546 0.422 1.00 0.00 C ATOM 1084 O LEU A 70 -1.848 -4.601 0.674 1.00 0.00 O ATOM 1085 CB LEU A 70 0.583 -3.118 2.052 1.00 0.00 C ATOM 1086 CG LEU A 70 1.346 -2.146 2.953 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.634 -2.781 3.455 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.643 -0.851 2.210 1.00 0.00 C ATOM 0 H LEU A 70 -1.370 -2.910 3.537 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.673 -1.626 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.435 -4.049 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.209 -3.351 1.190 1.00 0.00 H new ATOM 0 HG LEU A 70 0.720 -1.913 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.163 -2.074 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.398 -3.680 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.265 -3.045 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.186 -0.171 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.249 -1.067 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.707 -0.386 1.901 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.020 -3.132 -0.817 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.434 -3.911 -1.978 1.00 0.00 C ATOM 1102 C ARG A 71 -0.376 -3.852 -3.077 1.00 0.00 C ATOM 1103 O ARG A 71 0.272 -2.824 -3.276 1.00 0.00 O ATOM 1104 CB ARG A 71 -2.770 -3.396 -2.515 1.00 0.00 C ATOM 1105 CG ARG A 71 -3.928 -3.584 -1.547 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.656 -4.895 -1.798 1.00 0.00 C ATOM 1107 NE ARG A 71 -4.038 -6.009 -1.086 1.00 0.00 N ATOM 1108 CZ ARG A 71 -3.091 -6.781 -1.608 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -2.655 -6.559 -2.841 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -2.577 -7.776 -0.897 1.00 0.00 N ATOM 0 H ARG A 71 -0.537 -2.262 -1.043 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.552 -4.948 -1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.673 -2.336 -2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.000 -3.911 -3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.555 -3.564 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.627 -2.753 -1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.696 -4.798 -1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.662 -5.107 -2.867 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.350 -6.206 -0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.047 -5.794 -3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.928 -7.153 -3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.909 -7.949 0.052 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.850 -8.368 -1.299 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.206 -4.962 -3.787 1.00 0.00 N ATOM 1125 CA LYS A 72 0.772 -5.038 -4.866 1.00 0.00 C ATOM 1126 C LYS A 72 0.412 -4.079 -5.996 1.00 0.00 C ATOM 1127 O LYS A 72 -0.675 -4.160 -6.570 1.00 0.00 O ATOM 1128 CB LYS A 72 0.857 -6.468 -5.405 1.00 0.00 C ATOM 1129 CG LYS A 72 1.287 -7.486 -4.363 1.00 0.00 C ATOM 1130 CD LYS A 72 1.761 -8.778 -5.008 1.00 0.00 C ATOM 1131 CE LYS A 72 3.205 -8.672 -5.472 1.00 0.00 C ATOM 1132 NZ LYS A 72 3.775 -10.003 -5.820 1.00 0.00 N ATOM 0 H LYS A 72 -0.733 -5.822 -3.635 1.00 0.00 H new ATOM 0 HA LYS A 72 1.743 -4.749 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.116 -6.756 -5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.561 -6.493 -6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.088 -7.068 -3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.453 -7.697 -3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.666 -9.598 -4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.121 -9.018 -5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.260 -8.015 -6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.806 -8.214 -4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.761 -9.888 -6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.746 -10.622 -4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.217 -10.430 -6.587 1.00 0.00 H new ATOM 1146 N LEU A 73 1.330 -3.172 -6.311 1.00 0.00 N ATOM 1147 CA LEU A 73 1.109 -2.197 -7.373 1.00 0.00 C ATOM 1148 C LEU A 73 1.130 -2.870 -8.742 1.00 0.00 C ATOM 1149 O LEU A 73 2.195 -3.103 -9.313 1.00 0.00 O ATOM 1150 CB LEU A 73 2.174 -1.100 -7.315 1.00 0.00 C ATOM 1151 CG LEU A 73 1.799 0.234 -7.961 1.00 0.00 C ATOM 1152 CD1 LEU A 73 0.952 1.067 -7.012 1.00 0.00 C ATOM 1153 CD2 LEU A 73 3.050 0.998 -8.373 1.00 0.00 C ATOM 0 H LEU A 73 2.234 -3.091 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 73 0.127 -1.749 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.422 -0.917 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.078 -1.473 -7.797 1.00 0.00 H new ATOM 0 HG LEU A 73 1.211 0.030 -8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.695 2.013 -7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.039 0.524 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.514 1.262 -6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.764 1.945 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.664 1.191 -7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.619 0.406 -9.090 1.00 0.00 H new ATOM 1165 N GLU A 74 -0.054 -3.177 -9.263 1.00 0.00 N ATOM 1166 CA GLU A 74 -0.171 -3.821 -10.566 1.00 0.00 C ATOM 1167 C GLU A 74 0.336 -2.904 -11.674 1.00 0.00 C ATOM 1168 O GLU A 74 0.063 -1.704 -11.673 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.625 -4.213 -10.837 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.595 -3.047 -10.751 1.00 0.00 C ATOM 1171 CD GLU A 74 -3.163 -2.862 -9.357 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -4.069 -3.633 -8.977 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -2.700 -1.946 -8.645 1.00 0.00 O ATOM 0 H GLU A 74 -0.945 -2.990 -8.803 1.00 0.00 H new ATOM 0 HA GLU A 74 0.444 -4.721 -10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.693 -4.659 -11.829 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.926 -4.978 -10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.086 -2.133 -11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.412 -3.207 -11.454 1.00 0.00 H new ATOM 1180 N GLU A 75 1.075 -3.478 -12.618 1.00 0.00 N ATOM 1181 CA GLU A 75 1.621 -2.711 -13.732 1.00 0.00 C ATOM 1182 C GLU A 75 0.504 -2.170 -14.620 1.00 0.00 C ATOM 1183 O GLU A 75 0.673 -1.161 -15.302 1.00 0.00 O ATOM 1184 CB GLU A 75 2.571 -3.579 -14.560 1.00 0.00 C ATOM 1185 CG GLU A 75 3.269 -2.821 -15.677 1.00 0.00 C ATOM 1186 CD GLU A 75 4.308 -3.663 -16.393 1.00 0.00 C ATOM 1187 OE1 GLU A 75 3.940 -4.726 -16.935 1.00 0.00 O ATOM 1188 OE2 GLU A 75 5.489 -3.258 -16.410 1.00 0.00 O ATOM 0 H GLU A 75 1.309 -4.471 -12.634 1.00 0.00 H new ATOM 0 HA GLU A 75 2.176 -1.867 -13.322 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.323 -4.011 -13.900 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.010 -4.409 -14.990 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.526 -2.477 -16.397 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.748 -1.933 -15.264 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.637 -2.851 -14.605 1.00 0.00 N ATOM 1196 CA ASN A 76 -1.782 -2.440 -15.410 1.00 0.00 C ATOM 1197 C ASN A 76 -2.274 -1.058 -14.990 1.00 0.00 C ATOM 1198 O ASN A 76 -2.363 -0.144 -15.811 1.00 0.00 O ATOM 1199 CB ASN A 76 -2.916 -3.459 -15.277 1.00 0.00 C ATOM 1200 CG ASN A 76 -4.278 -2.845 -15.537 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -4.880 -2.243 -14.647 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -4.771 -2.994 -16.761 1.00 0.00 N ATOM 0 H ASN A 76 -0.794 -3.689 -14.045 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.465 -2.392 -16.452 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.750 -4.277 -15.978 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.899 -3.889 -14.275 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.683 -2.602 -16.995 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.237 -3.500 -17.468 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.591 -0.913 -13.709 1.00 0.00 N ATOM 1210 CA LEU A 77 -3.073 0.358 -13.179 1.00 0.00 C ATOM 1211 C LEU A 77 -1.956 1.397 -13.156 1.00 0.00 C ATOM 1212 O LEU A 77 -2.207 2.591 -12.990 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.635 0.166 -11.770 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.854 -0.750 -11.652 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -5.145 -1.067 -10.194 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -6.066 -0.112 -12.314 1.00 0.00 C ATOM 0 H LEU A 77 -2.523 -1.660 -13.017 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.866 0.718 -13.834 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.843 -0.233 -11.136 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.901 1.145 -11.370 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.633 -1.685 -12.168 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.016 -1.720 -10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.283 -1.567 -9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.345 -0.142 -9.653 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.924 -0.778 -12.221 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.289 0.838 -11.827 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.855 0.062 -13.369 1.00 0.00 H new ATOM 1228 N LYS A 78 -0.722 0.935 -13.326 1.00 0.00 N ATOM 1229 CA LYS A 78 0.434 1.824 -13.329 1.00 0.00 C ATOM 1230 C LYS A 78 0.484 2.648 -14.611 1.00 0.00 C ATOM 1231 O LYS A 78 0.467 3.879 -14.572 1.00 0.00 O ATOM 1232 CB LYS A 78 1.725 1.015 -13.179 1.00 0.00 C ATOM 1233 CG LYS A 78 2.142 0.797 -11.735 1.00 0.00 C ATOM 1234 CD LYS A 78 3.647 0.636 -11.607 1.00 0.00 C ATOM 1235 CE LYS A 78 4.160 -0.509 -12.467 1.00 0.00 C ATOM 1236 NZ LYS A 78 5.647 -0.589 -12.454 1.00 0.00 N ATOM 0 H LYS A 78 -0.497 -0.050 -13.464 1.00 0.00 H new ATOM 0 HA LYS A 78 0.339 2.506 -12.484 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.595 0.046 -13.661 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.529 1.528 -13.707 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.813 1.641 -11.129 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.646 -0.090 -11.342 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.140 1.563 -11.902 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.907 0.454 -10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.743 -1.449 -12.107 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.812 -0.378 -13.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.957 -1.382 -13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.046 0.298 -12.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.978 -0.740 -11.480 1.00 0.00 H new ATOM 1250 N THR A 79 0.545 1.962 -15.749 1.00 0.00 N ATOM 1251 CA THR A 79 0.597 2.631 -17.043 1.00 0.00 C ATOM 1252 C THR A 79 -0.748 2.555 -17.755 1.00 0.00 C ATOM 1253 O THR A 79 -1.124 1.508 -18.282 1.00 0.00 O ATOM 1254 CB THR A 79 1.681 2.017 -17.949 1.00 0.00 C ATOM 1255 OG1 THR A 79 1.592 0.588 -17.920 1.00 0.00 O ATOM 1256 CG2 THR A 79 3.069 2.453 -17.504 1.00 0.00 C ATOM 0 H THR A 79 0.560 0.943 -15.800 1.00 0.00 H new ATOM 0 HA THR A 79 0.844 3.675 -16.850 1.00 0.00 H new ATOM 0 HB THR A 79 1.516 2.370 -18.967 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.656 0.316 -18.027 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.818 2.007 -18.159 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.143 3.539 -17.555 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.242 2.126 -16.479 1.00 0.00 H new ATOM 1264 N MET A 80 -1.470 3.671 -17.769 1.00 0.00 N ATOM 1265 CA MET A 80 -2.773 3.730 -18.419 1.00 0.00 C ATOM 1266 C MET A 80 -3.100 5.155 -18.853 1.00 0.00 C ATOM 1267 O MET A 80 -2.425 6.105 -18.459 1.00 0.00 O ATOM 1268 CB MET A 80 -3.861 3.208 -17.478 1.00 0.00 C ATOM 1269 CG MET A 80 -4.186 4.160 -16.338 1.00 0.00 C ATOM 1270 SD MET A 80 -5.894 4.018 -15.780 1.00 0.00 S ATOM 1271 CE MET A 80 -5.978 2.272 -15.386 1.00 0.00 C ATOM 0 H MET A 80 -1.174 4.546 -17.337 1.00 0.00 H new ATOM 0 HA MET A 80 -2.737 3.098 -19.306 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.768 3.020 -18.053 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.543 2.252 -17.063 1.00 0.00 H new ATOM 0 HG2 MET A 80 -3.517 3.960 -15.501 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.997 5.184 -16.660 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.552 1.753 -16.154 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.970 1.859 -15.345 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.463 2.140 -14.419 1.00 0.00 H new ATOM 1281 N GLY A 81 -4.142 5.297 -19.667 1.00 0.00 N ATOM 1282 CA GLY A 81 -4.540 6.610 -20.141 1.00 0.00 C ATOM 1283 C GLY A 81 -3.516 7.224 -21.075 1.00 0.00 C ATOM 1284 O GLY A 81 -3.439 6.861 -22.249 1.00 0.00 O ATOM 0 H GLY A 81 -4.717 4.526 -20.007 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.497 6.532 -20.657 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.691 7.271 -19.287 1.00 0.00 H new ATOM 1288 N ARG A 82 -2.727 8.159 -20.554 1.00 0.00 N ATOM 1289 CA ARG A 82 -1.705 8.827 -21.350 1.00 0.00 C ATOM 1290 C ARG A 82 -0.332 8.212 -21.098 1.00 0.00 C ATOM 1291 O ARG A 82 -0.104 7.576 -20.068 1.00 0.00 O ATOM 1292 CB ARG A 82 -1.674 10.322 -21.029 1.00 0.00 C ATOM 1293 CG ARG A 82 -2.728 11.127 -21.771 1.00 0.00 C ATOM 1294 CD ARG A 82 -2.512 12.622 -21.597 1.00 0.00 C ATOM 1295 NE ARG A 82 -3.198 13.141 -20.417 1.00 0.00 N ATOM 1296 CZ ARG A 82 -4.520 13.184 -20.294 1.00 0.00 C ATOM 1297 NH1 ARG A 82 -5.294 12.740 -21.274 1.00 0.00 N ATOM 1298 NH2 ARG A 82 -5.069 13.671 -19.189 1.00 0.00 N ATOM 0 H ARG A 82 -2.777 8.471 -19.584 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.955 8.694 -22.403 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -1.814 10.458 -19.957 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.688 10.717 -21.274 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.700 10.875 -22.831 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.718 10.856 -21.405 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.445 12.827 -21.515 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.870 13.145 -22.484 1.00 0.00 H new ATOM 0 HE ARG A 82 -2.631 13.490 -19.644 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.875 12.364 -22.125 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.309 12.774 -21.178 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.476 14.013 -18.433 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.084 13.704 -19.096 1.00 0.00 H new ATOM 1312 N LEU A 83 0.580 8.406 -22.044 1.00 0.00 N ATOM 1313 CA LEU A 83 1.932 7.871 -21.925 1.00 0.00 C ATOM 1314 C LEU A 83 2.872 8.898 -21.302 1.00 0.00 C ATOM 1315 O LEU A 83 2.615 10.101 -21.354 1.00 0.00 O ATOM 1316 CB LEU A 83 2.458 7.450 -23.298 1.00 0.00 C ATOM 1317 CG LEU A 83 1.965 6.100 -23.820 1.00 0.00 C ATOM 1318 CD1 LEU A 83 0.481 6.161 -24.143 1.00 0.00 C ATOM 1319 CD2 LEU A 83 2.762 5.679 -25.046 1.00 0.00 C ATOM 0 H LEU A 83 0.408 8.930 -22.902 1.00 0.00 H new ATOM 0 HA LEU A 83 1.894 6.998 -21.273 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.184 8.218 -24.021 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.547 7.425 -23.256 1.00 0.00 H new ATOM 0 HG LEU A 83 2.115 5.354 -23.039 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.149 5.191 -24.513 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.077 6.416 -23.242 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.306 6.920 -24.906 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.398 4.716 -25.404 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.644 6.426 -25.831 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.816 5.593 -24.783 1.00 0.00 H new ATOM 1331 N SER A 84 3.962 8.416 -20.714 1.00 0.00 N ATOM 1332 CA SER A 84 4.939 9.292 -20.079 1.00 0.00 C ATOM 1333 C SER A 84 6.361 8.850 -20.411 1.00 0.00 C ATOM 1334 O SER A 84 6.821 7.802 -19.957 1.00 0.00 O ATOM 1335 CB SER A 84 4.738 9.302 -18.562 1.00 0.00 C ATOM 1336 OG SER A 84 4.780 7.987 -18.034 1.00 0.00 O ATOM 0 H SER A 84 4.191 7.423 -20.664 1.00 0.00 H new ATOM 0 HA SER A 84 4.790 10.301 -20.465 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.511 9.910 -18.093 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.780 9.763 -18.322 1.00 0.00 H new ATOM 0 HG SER A 84 5.572 7.522 -18.377 1.00 0.00 H new ATOM 1342 N LEU A 85 7.054 9.658 -21.207 1.00 0.00 N ATOM 1343 CA LEU A 85 8.424 9.352 -21.602 1.00 0.00 C ATOM 1344 C LEU A 85 9.337 10.553 -21.375 1.00 0.00 C ATOM 1345 O LEU A 85 10.419 10.423 -20.803 1.00 0.00 O ATOM 1346 CB LEU A 85 8.471 8.933 -23.072 1.00 0.00 C ATOM 1347 CG LEU A 85 9.701 8.134 -23.504 1.00 0.00 C ATOM 1348 CD1 LEU A 85 10.967 8.953 -23.304 1.00 0.00 C ATOM 1349 CD2 LEU A 85 9.784 6.824 -22.732 1.00 0.00 C ATOM 0 H LEU A 85 6.689 10.530 -21.591 1.00 0.00 H new ATOM 0 HA LEU A 85 8.778 8.527 -20.984 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.583 8.339 -23.288 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.412 9.831 -23.687 1.00 0.00 H new ATOM 0 HG LEU A 85 9.606 7.903 -24.565 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.832 8.368 -23.617 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.909 9.863 -23.901 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.068 9.215 -22.251 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.665 6.268 -23.052 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.856 7.034 -21.665 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.891 6.230 -22.926 1.00 0.00 H new TER 1361 LEU A 85