USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 580 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 24 THR OG1 : rot 87:sc= 0.0318 USER MOD Set 1.2: A 40 HIS : no HE2:sc= -3.09! X(o=-3.1!,f=-3.1) USER MOD Set 2.1: A 2 SER OG : rot -122:sc= 0.22 USER MOD Set 2.2: A 3 ASN : amide:sc= 0.246 K(o=0.47,f=-0.63) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 80:sc= -0.963 USER MOD Single : A 12 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.24) USER MOD Single : A 13 THR OG1 : rot 32:sc= 0.179 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -1.41 F(o=-3!,f=-1.4) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.801 K(o=-0.8,f=-4.8!) USER MOD Single : A 41 THR OG1 : rot -25:sc= -1.41! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= -0.0335 (180deg=-0.317) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0825 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.361 K(o=-0.36,f=-0.91) USER MOD Single : A 54 ASN : amide:sc= -0.266 K(o=-0.27,f=-2.1!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0311 K(o=-0.031,f=-1.4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 158:sc= -0.063 (180deg=-0.463) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.894 17.451 -9.304 1.00 0.00 N ATOM 2 CA ALA A 1 -11.272 18.462 -8.433 1.00 0.00 C ATOM 3 C ALA A 1 -11.202 18.010 -6.959 1.00 0.00 C ATOM 4 O ALA A 1 -12.163 18.113 -6.197 1.00 0.00 O ATOM 5 CB ALA A 1 -12.039 19.785 -8.567 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.917 17.803 -10.282 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.340 16.571 -9.265 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.865 17.264 -8.980 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.241 18.600 -8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.582 20.537 -7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.003 20.123 -9.603 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.077 19.636 -8.270 1.00 0.00 H new ATOM 13 N SER A 2 -10.100 17.333 -6.654 1.00 0.00 N ATOM 14 CA SER A 2 -9.857 16.749 -5.322 1.00 0.00 C ATOM 15 C SER A 2 -8.345 16.516 -5.122 1.00 0.00 C ATOM 16 O SER A 2 -7.525 17.160 -5.777 1.00 0.00 O ATOM 17 CB SER A 2 -10.674 15.454 -5.204 1.00 0.00 C ATOM 18 OG SER A 2 -10.792 15.101 -3.824 1.00 0.00 O ATOM 0 H SER A 2 -9.344 17.169 -7.318 1.00 0.00 H new ATOM 0 HA SER A 2 -10.178 17.427 -4.532 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.662 15.591 -5.643 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.188 14.651 -5.758 1.00 0.00 H new ATOM 0 HG SER A 2 -10.423 14.204 -3.683 1.00 0.00 H new ATOM 24 N ASN A 3 -7.997 15.597 -4.225 1.00 0.00 N ATOM 25 CA ASN A 3 -6.597 15.187 -3.966 1.00 0.00 C ATOM 26 C ASN A 3 -5.954 14.596 -5.237 1.00 0.00 C ATOM 27 O ASN A 3 -6.562 14.461 -6.302 1.00 0.00 O ATOM 28 CB ASN A 3 -6.587 14.185 -2.804 1.00 0.00 C ATOM 29 CG ASN A 3 -7.327 12.888 -3.135 1.00 0.00 C ATOM 30 OD1 ASN A 3 -8.542 12.767 -3.050 1.00 0.00 O ATOM 31 ND2 ASN A 3 -6.610 11.920 -3.668 1.00 0.00 N ATOM 0 H ASN A 3 -8.677 15.104 -3.646 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.000 16.056 -3.689 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -5.556 13.952 -2.539 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.044 14.646 -1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -7.068 11.074 -4.008 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.597 12.016 -3.741 1.00 0.00 H new ATOM 38 N TYR A 4 -4.710 14.137 -5.078 1.00 0.00 N ATOM 39 CA TYR A 4 -3.979 13.469 -6.153 1.00 0.00 C ATOM 40 C TYR A 4 -4.310 11.983 -6.252 1.00 0.00 C ATOM 41 O TYR A 4 -4.343 11.286 -5.235 1.00 0.00 O ATOM 42 CB TYR A 4 -2.480 13.650 -5.925 1.00 0.00 C ATOM 43 CG TYR A 4 -1.969 14.760 -6.833 1.00 0.00 C ATOM 44 CD1 TYR A 4 -2.042 16.110 -6.417 1.00 0.00 C ATOM 45 CD2 TYR A 4 -1.270 14.362 -7.995 1.00 0.00 C ATOM 46 CE1 TYR A 4 -1.356 17.086 -7.171 1.00 0.00 C ATOM 47 CE2 TYR A 4 -0.605 15.340 -8.757 1.00 0.00 C ATOM 48 CZ TYR A 4 -0.644 16.681 -8.330 1.00 0.00 C ATOM 49 OH TYR A 4 -0.008 17.623 -9.066 1.00 0.00 O ATOM 0 H TYR A 4 -4.186 14.218 -4.207 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.283 13.927 -7.095 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.286 13.898 -4.882 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -1.953 12.720 -6.135 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.610 16.388 -5.542 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.247 13.324 -8.293 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.373 18.123 -6.871 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -0.073 15.066 -9.656 1.00 0.00 H new ATOM 0 HH TYR A 4 0.437 17.197 -9.828 1.00 0.00 H new ATOM 59 N ASP A 5 -4.339 11.479 -7.477 1.00 0.00 N ATOM 60 CA ASP A 5 -4.592 10.057 -7.763 1.00 0.00 C ATOM 61 C ASP A 5 -3.446 9.492 -8.612 1.00 0.00 C ATOM 62 O ASP A 5 -3.595 9.278 -9.804 1.00 0.00 O ATOM 63 CB ASP A 5 -5.951 9.903 -8.456 1.00 0.00 C ATOM 64 CG ASP A 5 -7.118 9.625 -7.496 1.00 0.00 C ATOM 65 OD1 ASP A 5 -7.100 10.163 -6.368 1.00 0.00 O ATOM 66 OD2 ASP A 5 -7.968 8.795 -7.888 1.00 0.00 O ATOM 0 H ASP A 5 -4.187 12.042 -8.314 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.629 9.488 -6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.165 10.812 -9.017 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.888 9.090 -9.179 1.00 0.00 H new ATOM 72 N CYS A 6 -2.263 9.448 -7.999 1.00 0.00 N ATOM 73 CA CYS A 6 -1.028 8.986 -8.663 1.00 0.00 C ATOM 74 C CYS A 6 -1.165 7.669 -9.442 1.00 0.00 C ATOM 75 O CYS A 6 -1.195 7.700 -10.665 1.00 0.00 O ATOM 76 CB CYS A 6 0.115 8.905 -7.670 1.00 0.00 C ATOM 77 SG CYS A 6 -0.318 8.289 -6.015 1.00 0.00 S ATOM 0 H CYS A 6 -2.126 9.730 -7.028 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.811 9.741 -9.418 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.888 8.260 -8.087 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.551 9.898 -7.565 1.00 0.00 H new ATOM 82 N CYS A 7 -1.247 6.543 -8.727 1.00 0.00 N ATOM 83 CA CYS A 7 -1.653 5.256 -9.330 1.00 0.00 C ATOM 84 C CYS A 7 -2.948 5.469 -10.135 1.00 0.00 C ATOM 85 O CYS A 7 -3.644 6.447 -9.884 1.00 0.00 O ATOM 86 CB CYS A 7 -1.948 4.239 -8.233 1.00 0.00 C ATOM 87 SG CYS A 7 -0.605 3.058 -7.851 1.00 0.00 S ATOM 0 H CYS A 7 -1.039 6.490 -7.730 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.848 4.894 -9.970 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.199 4.781 -7.321 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.833 3.671 -8.520 1.00 0.00 H new ATOM 92 N LEU A 8 -3.302 4.476 -10.944 1.00 0.00 N ATOM 93 CA LEU A 8 -4.515 4.502 -11.803 1.00 0.00 C ATOM 94 C LEU A 8 -5.757 5.143 -11.154 1.00 0.00 C ATOM 95 O LEU A 8 -6.487 5.896 -11.788 1.00 0.00 O ATOM 96 CB LEU A 8 -4.848 3.116 -12.365 1.00 0.00 C ATOM 97 CG LEU A 8 -5.122 2.045 -11.288 1.00 0.00 C ATOM 98 CD1 LEU A 8 -6.278 1.149 -11.734 1.00 0.00 C ATOM 99 CD2 LEU A 8 -3.870 1.241 -10.948 1.00 0.00 C ATOM 0 H LEU A 8 -2.761 3.616 -11.034 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.245 5.162 -12.627 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.723 3.199 -13.010 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.021 2.782 -12.991 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.413 2.549 -10.366 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.468 0.394 -10.971 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.173 1.754 -11.877 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.018 0.659 -12.672 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.110 0.499 -10.186 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.507 0.737 -11.844 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.098 1.912 -10.571 1.00 0.00 H new ATOM 111 N SER A 9 -5.870 4.918 -9.834 1.00 0.00 N ATOM 112 CA SER A 9 -6.860 5.468 -8.909 1.00 0.00 C ATOM 113 C SER A 9 -6.568 4.884 -7.518 1.00 0.00 C ATOM 114 O SER A 9 -5.942 3.822 -7.415 1.00 0.00 O ATOM 115 CB SER A 9 -8.264 5.081 -9.384 1.00 0.00 C ATOM 116 OG SER A 9 -9.253 5.186 -8.360 1.00 0.00 O ATOM 0 H SER A 9 -5.218 4.298 -9.354 1.00 0.00 H new ATOM 0 HA SER A 9 -6.807 6.556 -8.869 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.547 5.721 -10.220 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.245 4.057 -9.758 1.00 0.00 H new ATOM 0 HG SER A 9 -10.127 4.928 -8.721 1.00 0.00 H new ATOM 122 N TYR A 10 -6.874 5.665 -6.478 1.00 0.00 N ATOM 123 CA TYR A 10 -6.890 5.219 -5.065 1.00 0.00 C ATOM 124 C TYR A 10 -7.475 3.799 -4.995 1.00 0.00 C ATOM 125 O TYR A 10 -8.240 3.395 -5.863 1.00 0.00 O ATOM 126 CB TYR A 10 -7.791 6.168 -4.269 1.00 0.00 C ATOM 127 CG TYR A 10 -7.748 6.018 -2.737 1.00 0.00 C ATOM 128 CD1 TYR A 10 -8.477 4.991 -2.094 1.00 0.00 C ATOM 129 CD2 TYR A 10 -6.974 6.944 -2.005 1.00 0.00 C ATOM 130 CE1 TYR A 10 -8.375 4.832 -0.700 1.00 0.00 C ATOM 131 CE2 TYR A 10 -6.893 6.794 -0.603 1.00 0.00 C ATOM 132 CZ TYR A 10 -7.562 5.721 0.030 1.00 0.00 C ATOM 133 OH TYR A 10 -7.327 5.461 1.342 1.00 0.00 O ATOM 0 H TYR A 10 -7.124 6.648 -6.588 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.880 5.222 -4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.518 7.193 -4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.819 6.022 -4.599 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.109 4.332 -2.670 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.456 7.749 -2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.912 4.041 -0.197 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.321 7.497 -0.016 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.626 4.780 1.420 1.00 0.00 H new ATOM 143 N ILE A 11 -7.076 3.050 -3.969 1.00 0.00 N ATOM 144 CA ILE A 11 -7.581 1.694 -3.716 1.00 0.00 C ATOM 145 C ILE A 11 -9.116 1.672 -3.626 1.00 0.00 C ATOM 146 O ILE A 11 -9.720 1.885 -2.574 1.00 0.00 O ATOM 147 CB ILE A 11 -6.873 1.016 -2.531 1.00 0.00 C ATOM 148 CG1 ILE A 11 -7.181 -0.477 -2.435 1.00 0.00 C ATOM 149 CG2 ILE A 11 -7.196 1.635 -1.169 1.00 0.00 C ATOM 150 CD1 ILE A 11 -7.035 -1.232 -3.758 1.00 0.00 C ATOM 0 H ILE A 11 -6.389 3.365 -3.284 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.326 1.079 -4.579 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.818 1.176 -2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.517 -0.927 -1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.199 -0.604 -2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.657 1.099 -0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.894 2.682 -1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.268 1.566 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.271 -2.285 -3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.719 -0.811 -4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.011 -1.139 -4.119 1.00 0.00 H new ATOM 162 N GLN A 12 -9.694 1.441 -4.791 1.00 0.00 N ATOM 163 CA GLN A 12 -11.156 1.352 -4.940 1.00 0.00 C ATOM 164 C GLN A 12 -11.779 0.258 -4.062 1.00 0.00 C ATOM 165 O GLN A 12 -12.922 0.401 -3.634 1.00 0.00 O ATOM 166 CB GLN A 12 -11.520 1.182 -6.418 1.00 0.00 C ATOM 167 CG GLN A 12 -11.741 2.539 -7.094 1.00 0.00 C ATOM 168 CD GLN A 12 -13.014 3.223 -6.571 1.00 0.00 C ATOM 169 OE1 GLN A 12 -13.015 4.127 -5.754 1.00 0.00 O ATOM 170 NE2 GLN A 12 -14.157 2.791 -7.073 1.00 0.00 N ATOM 0 H GLN A 12 -9.178 1.309 -5.661 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.585 2.288 -4.582 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.724 0.642 -6.931 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -12.423 0.578 -6.506 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.880 3.182 -6.913 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.816 2.402 -8.173 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.160 2.034 -7.757 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -15.037 3.214 -6.777 1.00 0.00 H new ATOM 179 N THR A 13 -10.921 -0.679 -3.682 1.00 0.00 N ATOM 180 CA THR A 13 -11.240 -1.815 -2.798 1.00 0.00 C ATOM 181 C THR A 13 -10.056 -2.262 -1.942 1.00 0.00 C ATOM 182 O THR A 13 -9.139 -2.906 -2.446 1.00 0.00 O ATOM 183 CB THR A 13 -11.931 -2.934 -3.600 1.00 0.00 C ATOM 184 OG1 THR A 13 -13.314 -2.600 -3.522 1.00 0.00 O ATOM 185 CG2 THR A 13 -11.713 -4.381 -3.148 1.00 0.00 C ATOM 0 H THR A 13 -9.947 -0.678 -3.986 1.00 0.00 H new ATOM 0 HA THR A 13 -11.963 -1.484 -2.052 1.00 0.00 H new ATOM 0 HB THR A 13 -11.495 -2.952 -4.599 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.413 -1.626 -3.478 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.261 -5.055 -3.807 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.650 -4.619 -3.188 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.073 -4.501 -2.126 1.00 0.00 H new ATOM 193 N PRO A 14 -10.079 -1.917 -0.644 1.00 0.00 N ATOM 194 CA PRO A 14 -9.052 -2.359 0.291 1.00 0.00 C ATOM 195 C PRO A 14 -9.068 -3.866 0.562 1.00 0.00 C ATOM 196 O PRO A 14 -9.969 -4.394 1.196 1.00 0.00 O ATOM 197 CB PRO A 14 -9.297 -1.536 1.555 1.00 0.00 C ATOM 198 CG PRO A 14 -10.718 -0.988 1.475 1.00 0.00 C ATOM 199 CD PRO A 14 -11.047 -0.992 -0.017 1.00 0.00 C ATOM 0 HA PRO A 14 -8.056 -2.197 -0.122 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.173 -2.153 2.445 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.576 -0.722 1.629 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.415 -1.610 2.037 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.780 0.017 1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.071 -1.323 -0.190 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -10.960 0.009 -0.439 1.00 0.00 H new ATOM 207 N LEU A 15 -8.066 -4.541 0.005 1.00 0.00 N ATOM 208 CA LEU A 15 -7.964 -6.014 0.103 1.00 0.00 C ATOM 209 C LEU A 15 -7.073 -6.469 1.264 1.00 0.00 C ATOM 210 O LEU A 15 -6.235 -5.696 1.705 1.00 0.00 O ATOM 211 CB LEU A 15 -7.558 -6.568 -1.270 1.00 0.00 C ATOM 212 CG LEU A 15 -6.375 -5.852 -1.902 1.00 0.00 C ATOM 213 CD1 LEU A 15 -5.513 -6.921 -2.535 1.00 0.00 C ATOM 214 CD2 LEU A 15 -6.827 -4.867 -2.982 1.00 0.00 C ATOM 0 H LEU A 15 -7.309 -4.103 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.936 -6.437 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.316 -7.626 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.412 -6.501 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.837 -5.281 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.646 -6.458 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.180 -7.621 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.091 -7.456 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.955 -4.373 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.362 -5.405 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.486 -4.120 -2.540 1.00 0.00 H new ATOM 226 N PRO A 16 -7.267 -7.663 1.865 1.00 0.00 N ATOM 227 CA PRO A 16 -6.469 -8.072 3.045 1.00 0.00 C ATOM 228 C PRO A 16 -5.011 -8.348 2.677 1.00 0.00 C ATOM 229 O PRO A 16 -4.740 -8.820 1.571 1.00 0.00 O ATOM 230 CB PRO A 16 -7.171 -9.339 3.541 1.00 0.00 C ATOM 231 CG PRO A 16 -7.812 -9.928 2.293 1.00 0.00 C ATOM 232 CD PRO A 16 -8.199 -8.722 1.442 1.00 0.00 C ATOM 0 HA PRO A 16 -6.423 -7.292 3.805 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.463 -10.035 3.991 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.918 -9.108 4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.117 -10.579 1.762 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.685 -10.530 2.544 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.099 -8.938 0.378 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.235 -8.431 1.613 1.00 0.00 H new ATOM 240 N SER A 17 -4.110 -8.245 3.662 1.00 0.00 N ATOM 241 CA SER A 17 -2.672 -8.535 3.461 1.00 0.00 C ATOM 242 C SER A 17 -2.360 -10.004 3.115 1.00 0.00 C ATOM 243 O SER A 17 -1.327 -10.292 2.518 1.00 0.00 O ATOM 244 CB SER A 17 -1.808 -8.112 4.658 1.00 0.00 C ATOM 245 OG SER A 17 -2.066 -8.949 5.787 1.00 0.00 O ATOM 0 H SER A 17 -4.346 -7.962 4.613 1.00 0.00 H new ATOM 0 HA SER A 17 -2.413 -7.929 2.593 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.753 -8.169 4.390 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.016 -7.073 4.914 1.00 0.00 H new ATOM 0 HG SER A 17 -1.505 -8.666 6.539 1.00 0.00 H new ATOM 251 N ARG A 18 -3.389 -10.845 3.215 1.00 0.00 N ATOM 252 CA ARG A 18 -3.359 -12.270 2.850 1.00 0.00 C ATOM 253 C ARG A 18 -3.467 -12.494 1.324 1.00 0.00 C ATOM 254 O ARG A 18 -3.508 -13.620 0.820 1.00 0.00 O ATOM 255 CB ARG A 18 -4.480 -12.959 3.637 1.00 0.00 C ATOM 256 CG ARG A 18 -4.378 -14.478 3.572 1.00 0.00 C ATOM 257 CD ARG A 18 -5.300 -15.174 4.572 1.00 0.00 C ATOM 258 NE ARG A 18 -4.589 -15.386 5.848 1.00 0.00 N ATOM 259 CZ ARG A 18 -3.725 -16.372 6.117 1.00 0.00 C ATOM 260 NH1 ARG A 18 -3.362 -17.264 5.202 1.00 0.00 N ATOM 261 NH2 ARG A 18 -3.182 -16.458 7.324 1.00 0.00 N ATOM 0 H ARG A 18 -4.300 -10.547 3.564 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.397 -12.708 3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.441 -12.638 4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.446 -12.644 3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.624 -14.812 2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.348 -14.777 3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.192 -14.570 4.739 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.633 -16.130 4.168 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.774 -14.717 6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.745 -17.211 4.258 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.701 -18.002 5.443 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.424 -15.775 8.042 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.523 -17.207 7.534 1.00 0.00 H new ATOM 275 N ALA A 19 -3.502 -11.393 0.590 1.00 0.00 N ATOM 276 CA ALA A 19 -3.499 -11.400 -0.885 1.00 0.00 C ATOM 277 C ALA A 19 -2.295 -10.641 -1.460 1.00 0.00 C ATOM 278 O ALA A 19 -2.027 -10.744 -2.655 1.00 0.00 O ATOM 279 CB ALA A 19 -4.825 -10.810 -1.370 1.00 0.00 C ATOM 0 H ALA A 19 -3.534 -10.457 0.993 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.401 -12.425 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.844 -10.806 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.651 -11.414 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.926 -9.789 -1.001 1.00 0.00 H new ATOM 285 N ILE A 20 -1.443 -10.105 -0.588 1.00 0.00 N ATOM 286 CA ILE A 20 -0.342 -9.219 -0.989 1.00 0.00 C ATOM 287 C ILE A 20 0.937 -10.038 -1.164 1.00 0.00 C ATOM 288 O ILE A 20 1.518 -10.532 -0.195 1.00 0.00 O ATOM 289 CB ILE A 20 -0.241 -8.083 0.054 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.316 -7.020 -0.169 1.00 0.00 C ATOM 291 CG2 ILE A 20 1.115 -7.370 0.010 1.00 0.00 C ATOM 292 CD1 ILE A 20 -2.802 -7.384 -0.111 1.00 0.00 C ATOM 0 H ILE A 20 -1.493 -10.270 0.417 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.519 -8.750 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.373 -8.568 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.149 -6.236 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.132 -6.579 -1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.136 -6.581 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.910 -8.087 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.265 -6.934 -0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.402 -6.493 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.023 -8.134 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.040 -7.785 0.874 1.00 0.00 H new ATOM 304 N VAL A 21 1.354 -10.117 -2.426 1.00 0.00 N ATOM 305 CA VAL A 21 2.608 -10.820 -2.759 1.00 0.00 C ATOM 306 C VAL A 21 3.861 -9.946 -2.613 1.00 0.00 C ATOM 307 O VAL A 21 4.886 -10.400 -2.132 1.00 0.00 O ATOM 308 CB VAL A 21 2.489 -11.552 -4.116 1.00 0.00 C ATOM 309 CG1 VAL A 21 3.167 -10.919 -5.340 1.00 0.00 C ATOM 310 CG2 VAL A 21 3.065 -12.943 -3.924 1.00 0.00 C ATOM 0 H VAL A 21 0.861 -9.716 -3.224 1.00 0.00 H new ATOM 0 HA VAL A 21 2.757 -11.594 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 21 1.427 -11.515 -4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.996 -11.546 -6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.748 -9.928 -5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.238 -10.833 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.001 -13.496 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.109 -12.866 -3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.500 -13.468 -3.154 1.00 0.00 H new ATOM 320 N GLY A 22 3.740 -8.716 -3.104 1.00 0.00 N ATOM 321 CA GLY A 22 4.830 -7.737 -3.111 1.00 0.00 C ATOM 322 C GLY A 22 4.232 -6.348 -3.178 1.00 0.00 C ATOM 323 O GLY A 22 3.127 -6.180 -3.696 1.00 0.00 O ATOM 0 H GLY A 22 2.874 -8.364 -3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.440 -7.843 -2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.486 -7.908 -3.964 1.00 0.00 H new ATOM 327 N PHE A 23 4.740 -5.495 -2.313 1.00 0.00 N ATOM 328 CA PHE A 23 4.285 -4.107 -2.215 1.00 0.00 C ATOM 329 C PHE A 23 5.429 -3.158 -1.930 1.00 0.00 C ATOM 330 O PHE A 23 6.393 -3.502 -1.253 1.00 0.00 O ATOM 331 CB PHE A 23 3.219 -3.954 -1.140 1.00 0.00 C ATOM 332 CG PHE A 23 3.664 -4.335 0.265 1.00 0.00 C ATOM 333 CD1 PHE A 23 4.011 -5.676 0.563 1.00 0.00 C ATOM 334 CD2 PHE A 23 3.736 -3.313 1.231 1.00 0.00 C ATOM 335 CE1 PHE A 23 4.452 -6.013 1.855 1.00 0.00 C ATOM 336 CE2 PHE A 23 4.138 -3.664 2.533 1.00 0.00 C ATOM 337 CZ PHE A 23 4.495 -4.998 2.828 1.00 0.00 C ATOM 0 H PHE A 23 5.480 -5.736 -1.654 1.00 0.00 H new ATOM 0 HA PHE A 23 3.857 -3.849 -3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.881 -2.918 -1.129 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.360 -4.567 -1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.937 -6.437 -0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.490 -2.292 0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.750 -7.023 2.094 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.174 -2.912 3.308 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.810 -5.246 3.831 1.00 0.00 H new ATOM 347 N THR A 24 5.180 -1.922 -2.329 1.00 0.00 N ATOM 348 CA THR A 24 6.167 -0.860 -2.214 1.00 0.00 C ATOM 349 C THR A 24 5.545 0.370 -1.538 1.00 0.00 C ATOM 350 O THR A 24 4.345 0.434 -1.280 1.00 0.00 O ATOM 351 CB THR A 24 6.710 -0.538 -3.623 1.00 0.00 C ATOM 352 OG1 THR A 24 6.654 -1.695 -4.462 1.00 0.00 O ATOM 353 CG2 THR A 24 8.163 -0.051 -3.554 1.00 0.00 C ATOM 0 H THR A 24 4.294 -1.627 -2.739 1.00 0.00 H new ATOM 0 HA THR A 24 7.000 -1.178 -1.587 1.00 0.00 H new ATOM 0 HB THR A 24 6.084 0.250 -4.041 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.776 -1.743 -4.895 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.521 0.169 -4.560 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.216 0.851 -2.945 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.786 -0.827 -3.108 1.00 0.00 H new ATOM 361 N ARG A 25 6.408 1.337 -1.261 1.00 0.00 N ATOM 362 CA ARG A 25 6.001 2.608 -0.626 1.00 0.00 C ATOM 363 C ARG A 25 5.944 3.751 -1.631 1.00 0.00 C ATOM 364 O ARG A 25 6.827 3.894 -2.489 1.00 0.00 O ATOM 365 CB ARG A 25 6.969 2.966 0.510 1.00 0.00 C ATOM 366 CG ARG A 25 6.681 2.175 1.787 1.00 0.00 C ATOM 367 CD ARG A 25 5.341 2.600 2.406 1.00 0.00 C ATOM 368 NE ARG A 25 5.563 3.367 3.646 1.00 0.00 N ATOM 369 CZ ARG A 25 4.654 4.092 4.299 1.00 0.00 C ATOM 370 NH1 ARG A 25 3.435 4.290 3.818 1.00 0.00 N ATOM 371 NH2 ARG A 25 4.959 4.671 5.447 1.00 0.00 N ATOM 0 H ARG A 25 7.406 1.276 -1.464 1.00 0.00 H new ATOM 0 HA ARG A 25 4.998 2.465 -0.223 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.992 2.772 0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.899 4.033 0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.660 1.109 1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.485 2.333 2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.780 3.205 1.693 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.737 1.718 2.620 1.00 0.00 H new ATOM 0 HE ARG A 25 6.502 3.340 4.042 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.168 3.882 2.922 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.764 4.850 4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.895 4.565 5.839 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.259 5.224 5.941 1.00 0.00 H new ATOM 385 N GLN A 26 4.872 4.518 -1.525 1.00 0.00 N ATOM 386 CA GLN A 26 4.664 5.691 -2.399 1.00 0.00 C ATOM 387 C GLN A 26 4.445 6.934 -1.541 1.00 0.00 C ATOM 388 O GLN A 26 3.395 7.135 -0.926 1.00 0.00 O ATOM 389 CB GLN A 26 3.446 5.486 -3.290 1.00 0.00 C ATOM 390 CG GLN A 26 3.583 6.197 -4.635 1.00 0.00 C ATOM 391 CD GLN A 26 2.393 5.803 -5.519 1.00 0.00 C ATOM 392 OE1 GLN A 26 1.217 6.087 -5.028 1.00 0.00 O flip ATOM 393 NE2 GLN A 26 2.501 5.238 -6.592 1.00 0.00 N flip ATOM 0 H GLN A 26 4.126 4.361 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 26 5.547 5.817 -3.025 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.298 4.419 -3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.557 5.853 -2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.607 7.277 -4.491 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.521 5.919 -5.116 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.426 5.022 -6.964 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.667 4.981 -7.119 1.00 0.00 H new ATOM 402 N MET A 27 5.560 7.629 -1.387 1.00 0.00 N ATOM 403 CA MET A 27 5.642 8.906 -0.655 1.00 0.00 C ATOM 404 C MET A 27 4.911 10.008 -1.428 1.00 0.00 C ATOM 405 O MET A 27 4.784 9.973 -2.659 1.00 0.00 O ATOM 406 CB MET A 27 7.109 9.275 -0.484 1.00 0.00 C ATOM 407 CG MET A 27 7.893 8.212 0.298 1.00 0.00 C ATOM 408 SD MET A 27 9.668 8.157 -0.158 1.00 0.00 S ATOM 409 CE MET A 27 9.589 7.175 -1.638 1.00 0.00 C ATOM 0 H MET A 27 6.456 7.326 -1.770 1.00 0.00 H new ATOM 0 HA MET A 27 5.169 8.801 0.321 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.564 9.409 -1.465 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.182 10.231 0.034 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.803 8.413 1.365 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.447 7.234 0.120 1.00 0.00 H new ATOM 0 HE1 MET A 27 10.593 7.047 -2.044 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.165 6.199 -1.405 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.961 7.677 -2.374 1.00 0.00 H new ATOM 419 N ALA A 28 4.555 11.051 -0.686 1.00 0.00 N ATOM 420 CA ALA A 28 3.876 12.242 -1.210 1.00 0.00 C ATOM 421 C ALA A 28 4.901 13.330 -1.558 1.00 0.00 C ATOM 422 O ALA A 28 5.444 13.980 -0.668 1.00 0.00 O ATOM 423 CB ALA A 28 2.904 12.731 -0.125 1.00 0.00 C ATOM 0 H ALA A 28 4.732 11.098 0.317 1.00 0.00 H new ATOM 0 HA ALA A 28 3.332 12.006 -2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.379 13.618 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.181 11.946 0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.461 12.976 0.779 1.00 0.00 H new ATOM 429 N ASP A 29 5.314 13.309 -2.826 1.00 0.00 N ATOM 430 CA ASP A 29 6.331 14.241 -3.389 1.00 0.00 C ATOM 431 C ASP A 29 6.608 14.004 -4.879 1.00 0.00 C ATOM 432 O ASP A 29 6.637 14.952 -5.657 1.00 0.00 O ATOM 433 CB ASP A 29 7.674 14.182 -2.649 1.00 0.00 C ATOM 434 CG ASP A 29 7.979 15.440 -1.824 1.00 0.00 C ATOM 435 OD1 ASP A 29 7.058 16.258 -1.595 1.00 0.00 O ATOM 436 OD2 ASP A 29 9.171 15.560 -1.463 1.00 0.00 O ATOM 0 H ASP A 29 4.957 12.642 -3.510 1.00 0.00 H new ATOM 0 HA ASP A 29 5.882 15.225 -3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.677 13.315 -1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.473 14.032 -3.375 1.00 0.00 H new ATOM 442 N GLU A 30 7.011 12.767 -5.190 1.00 0.00 N ATOM 443 CA GLU A 30 7.374 12.338 -6.549 1.00 0.00 C ATOM 444 C GLU A 30 6.178 12.455 -7.522 1.00 0.00 C ATOM 445 O GLU A 30 5.314 13.323 -7.350 1.00 0.00 O ATOM 446 CB GLU A 30 7.937 10.913 -6.432 1.00 0.00 C ATOM 447 CG GLU A 30 9.043 10.689 -7.468 1.00 0.00 C ATOM 448 CD GLU A 30 10.380 10.291 -6.846 1.00 0.00 C ATOM 449 OE1 GLU A 30 10.701 10.801 -5.755 1.00 0.00 O ATOM 450 OE2 GLU A 30 11.068 9.473 -7.494 1.00 0.00 O ATOM 0 H GLU A 30 7.096 12.024 -4.496 1.00 0.00 H new ATOM 0 HA GLU A 30 8.134 12.989 -6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.332 10.752 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.138 10.186 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.728 9.911 -8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.177 11.601 -8.049 1.00 0.00 H new ATOM 457 N ALA A 31 6.054 11.532 -8.482 1.00 0.00 N ATOM 458 CA ALA A 31 4.872 11.430 -9.373 1.00 0.00 C ATOM 459 C ALA A 31 3.538 11.397 -8.602 1.00 0.00 C ATOM 460 O ALA A 31 2.505 11.849 -9.088 1.00 0.00 O ATOM 461 CB ALA A 31 5.017 10.187 -10.253 1.00 0.00 C ATOM 0 H ALA A 31 6.768 10.828 -8.671 1.00 0.00 H new ATOM 0 HA ALA A 31 4.842 12.328 -9.990 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.152 10.104 -10.911 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.923 10.270 -10.853 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.079 9.300 -9.622 1.00 0.00 H new ATOM 467 N CYS A 32 3.632 10.964 -7.341 1.00 0.00 N ATOM 468 CA CYS A 32 2.512 10.993 -6.397 1.00 0.00 C ATOM 469 C CYS A 32 2.680 12.167 -5.435 1.00 0.00 C ATOM 470 O CYS A 32 3.762 12.399 -4.901 1.00 0.00 O ATOM 471 CB CYS A 32 2.437 9.689 -5.593 1.00 0.00 C ATOM 472 SG CYS A 32 0.790 9.524 -4.829 1.00 0.00 S ATOM 0 H CYS A 32 4.491 10.582 -6.945 1.00 0.00 H new ATOM 0 HA CYS A 32 1.590 11.106 -6.967 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.632 8.838 -6.245 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.207 9.682 -4.822 1.00 0.00 H new ATOM 477 N ASP A 33 1.552 12.804 -5.157 1.00 0.00 N ATOM 478 CA ASP A 33 1.497 13.904 -4.180 1.00 0.00 C ATOM 479 C ASP A 33 0.796 13.484 -2.873 1.00 0.00 C ATOM 480 O ASP A 33 0.698 14.275 -1.941 1.00 0.00 O ATOM 481 CB ASP A 33 0.780 15.077 -4.844 1.00 0.00 C ATOM 482 CG ASP A 33 0.785 16.387 -4.056 1.00 0.00 C ATOM 483 OD1 ASP A 33 -0.340 16.841 -3.716 1.00 0.00 O ATOM 484 OD2 ASP A 33 1.881 16.952 -3.897 1.00 0.00 O ATOM 0 H ASP A 33 0.655 12.584 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 33 2.509 14.191 -3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.239 15.257 -5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.255 14.789 -5.029 1.00 0.00 H new ATOM 490 N ILE A 34 0.293 12.261 -2.867 1.00 0.00 N ATOM 491 CA ILE A 34 -0.297 11.641 -1.669 1.00 0.00 C ATOM 492 C ILE A 34 0.493 10.368 -1.336 1.00 0.00 C ATOM 493 O ILE A 34 1.347 9.903 -2.092 1.00 0.00 O ATOM 494 CB ILE A 34 -1.808 11.360 -1.824 1.00 0.00 C ATOM 495 CG1 ILE A 34 -2.116 10.398 -2.979 1.00 0.00 C ATOM 496 CG2 ILE A 34 -2.555 12.687 -1.933 1.00 0.00 C ATOM 497 CD1 ILE A 34 -3.489 9.731 -2.841 1.00 0.00 C ATOM 0 H ILE A 34 0.277 11.659 -3.691 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.222 12.344 -0.839 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.162 10.839 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.074 10.943 -3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.345 9.629 -3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.622 12.496 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.383 13.277 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.194 13.237 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.655 9.061 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.525 9.161 -1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.265 10.496 -2.827 1.00 0.00 H new ATOM 509 N ASN A 35 0.242 9.873 -0.147 1.00 0.00 N ATOM 510 CA ASN A 35 0.875 8.651 0.352 1.00 0.00 C ATOM 511 C ASN A 35 -0.044 7.468 0.052 1.00 0.00 C ATOM 512 O ASN A 35 -1.269 7.560 0.164 1.00 0.00 O ATOM 513 CB ASN A 35 1.178 8.855 1.844 1.00 0.00 C ATOM 514 CG ASN A 35 -0.032 9.302 2.685 1.00 0.00 C ATOM 515 OD1 ASN A 35 -1.107 9.640 2.213 1.00 0.00 O ATOM 516 ND2 ASN A 35 0.133 9.316 3.983 1.00 0.00 N ATOM 0 H ASN A 35 -0.408 10.300 0.513 1.00 0.00 H new ATOM 0 HA ASN A 35 1.823 8.432 -0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 35 1.565 7.922 2.254 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.968 9.599 1.943 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.632 9.607 4.591 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.027 9.036 4.387 1.00 0.00 H new ATOM 523 N ALA A 36 0.553 6.420 -0.520 1.00 0.00 N ATOM 524 CA ALA A 36 -0.154 5.179 -0.855 1.00 0.00 C ATOM 525 C ALA A 36 0.792 3.982 -0.926 1.00 0.00 C ATOM 526 O ALA A 36 2.007 4.148 -0.998 1.00 0.00 O ATOM 527 CB ALA A 36 -0.948 5.319 -2.172 1.00 0.00 C ATOM 0 H ALA A 36 1.543 6.407 -0.765 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.861 4.995 -0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.459 4.381 -2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.682 6.118 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.263 5.557 -2.986 1.00 0.00 H new ATOM 533 N ILE A 37 0.234 2.806 -0.658 1.00 0.00 N ATOM 534 CA ILE A 37 1.046 1.588 -0.631 1.00 0.00 C ATOM 535 C ILE A 37 0.811 0.875 -1.958 1.00 0.00 C ATOM 536 O ILE A 37 -0.325 0.494 -2.255 1.00 0.00 O ATOM 537 CB ILE A 37 0.678 0.654 0.529 1.00 0.00 C ATOM 538 CG1 ILE A 37 0.381 1.398 1.837 1.00 0.00 C ATOM 539 CG2 ILE A 37 1.728 -0.445 0.698 1.00 0.00 C ATOM 540 CD1 ILE A 37 1.422 2.430 2.282 1.00 0.00 C ATOM 0 H ILE A 37 -0.757 2.667 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 37 2.092 1.858 -0.485 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.263 0.172 0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.579 1.903 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.268 0.661 2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.445 -1.094 1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.791 -1.032 -0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.698 0.007 0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.102 2.889 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.383 1.937 2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.522 3.199 1.516 1.00 0.00 H new ATOM 552 N ILE A 38 1.896 0.808 -2.717 1.00 0.00 N ATOM 553 CA ILE A 38 1.921 0.217 -4.065 1.00 0.00 C ATOM 554 C ILE A 38 1.985 -1.310 -3.939 1.00 0.00 C ATOM 555 O ILE A 38 3.055 -1.904 -4.025 1.00 0.00 O ATOM 556 CB ILE A 38 3.092 0.771 -4.905 1.00 0.00 C ATOM 557 CG1 ILE A 38 3.145 2.304 -4.909 1.00 0.00 C ATOM 558 CG2 ILE A 38 2.934 0.305 -6.354 1.00 0.00 C ATOM 559 CD1 ILE A 38 4.482 2.843 -5.408 1.00 0.00 C ATOM 0 H ILE A 38 2.803 1.166 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 38 1.008 0.491 -4.594 1.00 0.00 H new ATOM 0 HB ILE A 38 4.011 0.397 -4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.344 2.690 -5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.963 2.673 -3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.758 0.693 -6.953 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.942 -0.784 -6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.990 0.674 -6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.465 3.933 -5.390 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.283 2.482 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.655 2.500 -6.428 1.00 0.00 H new ATOM 571 N PHE A 39 0.845 -1.891 -3.596 1.00 0.00 N ATOM 572 CA PHE A 39 0.629 -3.349 -3.526 1.00 0.00 C ATOM 573 C PHE A 39 0.664 -3.995 -4.913 1.00 0.00 C ATOM 574 O PHE A 39 0.436 -3.323 -5.904 1.00 0.00 O ATOM 575 CB PHE A 39 -0.709 -3.651 -2.858 1.00 0.00 C ATOM 576 CG PHE A 39 -0.695 -3.288 -1.384 1.00 0.00 C ATOM 577 CD1 PHE A 39 0.039 -4.107 -0.513 1.00 0.00 C ATOM 578 CD2 PHE A 39 -1.503 -2.250 -0.867 1.00 0.00 C ATOM 579 CE1 PHE A 39 -0.019 -3.928 0.873 1.00 0.00 C ATOM 580 CE2 PHE A 39 -1.563 -2.064 0.535 1.00 0.00 C ATOM 581 CZ PHE A 39 -0.838 -2.910 1.398 1.00 0.00 C ATOM 0 H PHE A 39 0.013 -1.355 -3.349 1.00 0.00 H new ATOM 0 HA PHE A 39 1.441 -3.771 -2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.501 -3.097 -3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.941 -4.710 -2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.661 -4.891 -0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.065 -1.610 -1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.556 -4.562 1.531 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.168 -1.269 0.946 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.911 -2.777 2.467 1.00 0.00 H new ATOM 591 N HIS A 40 0.938 -5.293 -4.945 1.00 0.00 N ATOM 592 CA HIS A 40 1.067 -6.083 -6.184 1.00 0.00 C ATOM 593 C HIS A 40 0.787 -7.539 -5.796 1.00 0.00 C ATOM 594 O HIS A 40 1.633 -8.294 -5.332 1.00 0.00 O ATOM 595 CB HIS A 40 2.495 -6.055 -6.754 1.00 0.00 C ATOM 596 CG HIS A 40 3.094 -4.668 -6.847 1.00 0.00 C ATOM 597 ND1 HIS A 40 2.787 -3.755 -7.764 1.00 0.00 N ATOM 598 CD2 HIS A 40 4.036 -4.164 -6.052 1.00 0.00 C ATOM 599 CE1 HIS A 40 3.552 -2.696 -7.544 1.00 0.00 C ATOM 600 NE2 HIS A 40 4.298 -2.927 -6.460 1.00 0.00 N ATOM 0 H HIS A 40 1.081 -5.846 -4.100 1.00 0.00 H new ATOM 0 HA HIS A 40 0.387 -5.674 -6.931 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.137 -6.676 -6.129 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.488 -6.504 -7.747 1.00 0.00 H new ATOM 0 HD1 HIS A 40 2.090 -3.852 -8.502 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.505 -4.671 -5.222 1.00 0.00 H new ATOM 0 HE1 HIS A 40 3.570 -1.796 -8.141 1.00 0.00 H new ATOM 609 N THR A 41 -0.504 -7.739 -5.630 1.00 0.00 N ATOM 610 CA THR A 41 -1.058 -9.060 -5.269 1.00 0.00 C ATOM 611 C THR A 41 -0.844 -10.056 -6.409 1.00 0.00 C ATOM 612 O THR A 41 -0.270 -9.740 -7.450 1.00 0.00 O ATOM 613 CB THR A 41 -2.539 -8.888 -4.957 1.00 0.00 C ATOM 614 OG1 THR A 41 -3.190 -8.511 -6.149 1.00 0.00 O ATOM 615 CG2 THR A 41 -2.733 -7.858 -3.849 1.00 0.00 C ATOM 0 H THR A 41 -1.207 -7.008 -5.737 1.00 0.00 H new ATOM 0 HA THR A 41 -0.547 -9.457 -4.392 1.00 0.00 H new ATOM 0 HB THR A 41 -2.970 -9.821 -4.593 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.548 -8.078 -6.750 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.797 -7.747 -3.638 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.217 -8.191 -2.948 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.324 -6.899 -4.168 1.00 0.00 H new ATOM 623 N LYS A 42 -1.319 -11.281 -6.180 1.00 0.00 N ATOM 624 CA LYS A 42 -1.189 -12.351 -7.192 1.00 0.00 C ATOM 625 C LYS A 42 -2.315 -12.315 -8.239 1.00 0.00 C ATOM 626 O LYS A 42 -2.147 -12.781 -9.364 1.00 0.00 O ATOM 627 CB LYS A 42 -1.125 -13.723 -6.535 1.00 0.00 C ATOM 628 CG LYS A 42 0.273 -13.876 -5.934 1.00 0.00 C ATOM 629 CD LYS A 42 0.456 -15.184 -5.173 1.00 0.00 C ATOM 630 CE LYS A 42 -0.144 -15.131 -3.775 1.00 0.00 C ATOM 631 NZ LYS A 42 -0.849 -16.403 -3.593 1.00 0.00 N ATOM 0 H LYS A 42 -1.791 -11.562 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.252 -12.165 -7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.888 -13.814 -5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.317 -14.508 -7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.013 -13.820 -6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.466 -13.041 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.008 -15.995 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.519 -15.413 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.633 -15.003 -3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.827 -14.288 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.284 -16.427 -2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.589 -16.496 -4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.175 -17.190 -3.684 1.00 0.00 H new ATOM 645 N LYS A 43 -3.454 -11.759 -7.825 1.00 0.00 N ATOM 646 CA LYS A 43 -4.657 -11.662 -8.664 1.00 0.00 C ATOM 647 C LYS A 43 -5.250 -10.236 -8.720 1.00 0.00 C ATOM 648 O LYS A 43 -6.458 -10.015 -8.650 1.00 0.00 O ATOM 649 CB LYS A 43 -5.654 -12.717 -8.174 1.00 0.00 C ATOM 650 CG LYS A 43 -6.432 -13.271 -9.367 1.00 0.00 C ATOM 651 CD LYS A 43 -6.801 -14.729 -9.146 1.00 0.00 C ATOM 652 CE LYS A 43 -7.349 -15.376 -10.420 1.00 0.00 C ATOM 653 NZ LYS A 43 -6.303 -15.482 -11.454 1.00 0.00 N ATOM 0 H LYS A 43 -3.572 -11.360 -6.894 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.395 -11.866 -9.702 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.127 -13.523 -7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.340 -12.277 -7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.336 -12.682 -9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.832 -13.177 -10.272 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.923 -15.279 -8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.546 -14.799 -8.353 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.738 -16.368 -10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.183 -14.787 -10.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.593 -16.177 -12.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.166 -14.555 -11.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.411 -15.789 -11.016 1.00 0.00 H new ATOM 667 N ARG A 44 -4.338 -9.270 -8.794 1.00 0.00 N ATOM 668 CA ARG A 44 -4.633 -7.830 -8.962 1.00 0.00 C ATOM 669 C ARG A 44 -3.316 -7.115 -9.248 1.00 0.00 C ATOM 670 O ARG A 44 -2.292 -7.346 -8.593 1.00 0.00 O ATOM 671 CB ARG A 44 -5.195 -7.179 -7.695 1.00 0.00 C ATOM 672 CG ARG A 44 -6.648 -6.731 -7.783 1.00 0.00 C ATOM 673 CD ARG A 44 -7.059 -6.219 -6.399 1.00 0.00 C ATOM 674 NE ARG A 44 -8.482 -6.556 -6.186 1.00 0.00 N ATOM 675 CZ ARG A 44 -9.523 -5.914 -6.693 1.00 0.00 C ATOM 676 NH1 ARG A 44 -9.392 -4.820 -7.441 1.00 0.00 N ATOM 677 NH2 ARG A 44 -10.747 -6.367 -6.464 1.00 0.00 N ATOM 0 H ARG A 44 -3.338 -9.463 -8.738 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.370 -7.746 -9.760 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.099 -7.885 -6.870 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.580 -6.314 -7.447 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.762 -5.946 -8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.286 -7.560 -8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.441 -6.675 -5.626 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.909 -5.141 -6.332 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.681 -7.360 -5.591 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.464 -4.448 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.220 -4.354 -7.813 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.883 -7.206 -5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.553 -5.877 -6.852 1.00 0.00 H new ATOM 691 N LYS A 45 -3.387 -6.273 -10.269 1.00 0.00 N ATOM 692 CA LYS A 45 -2.279 -5.377 -10.648 1.00 0.00 C ATOM 693 C LYS A 45 -1.866 -4.485 -9.460 1.00 0.00 C ATOM 694 O LYS A 45 -2.430 -4.546 -8.370 1.00 0.00 O ATOM 695 CB LYS A 45 -2.643 -4.545 -11.885 1.00 0.00 C ATOM 696 CG LYS A 45 -3.813 -3.560 -11.702 1.00 0.00 C ATOM 697 CD LYS A 45 -5.134 -4.154 -12.204 1.00 0.00 C ATOM 698 CE LYS A 45 -6.351 -3.462 -11.601 1.00 0.00 C ATOM 699 NZ LYS A 45 -6.741 -2.240 -12.309 1.00 0.00 N ATOM 0 H LYS A 45 -4.210 -6.184 -10.865 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.418 -5.990 -10.913 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.762 -3.982 -12.195 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.889 -5.226 -12.700 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.908 -3.299 -10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.600 -2.637 -12.241 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.175 -4.074 -13.290 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.167 -5.216 -11.961 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.191 -4.156 -11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.141 -3.217 -10.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.574 -1.822 -11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.954 -1.560 -12.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.972 -2.470 -13.297 1.00 0.00 H new ATOM 713 N SER A 46 -0.905 -3.599 -9.728 1.00 0.00 N ATOM 714 CA SER A 46 -0.433 -2.581 -8.774 1.00 0.00 C ATOM 715 C SER A 46 -1.617 -1.845 -8.132 1.00 0.00 C ATOM 716 O SER A 46 -2.458 -1.272 -8.819 1.00 0.00 O ATOM 717 CB SER A 46 0.417 -1.524 -9.481 1.00 0.00 C ATOM 718 OG SER A 46 1.066 -2.089 -10.623 1.00 0.00 O ATOM 0 H SER A 46 -0.422 -3.564 -10.626 1.00 0.00 H new ATOM 0 HA SER A 46 0.153 -3.105 -8.018 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.212 -0.688 -9.788 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.161 -1.126 -8.791 1.00 0.00 H new ATOM 0 HG SER A 46 1.605 -1.401 -11.067 1.00 0.00 H new ATOM 724 N VAL A 47 -1.677 -1.967 -6.817 1.00 0.00 N ATOM 725 CA VAL A 47 -2.742 -1.355 -6.002 1.00 0.00 C ATOM 726 C VAL A 47 -2.107 -0.207 -5.210 1.00 0.00 C ATOM 727 O VAL A 47 -1.056 -0.369 -4.615 1.00 0.00 O ATOM 728 CB VAL A 47 -3.353 -2.487 -5.140 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.816 -2.083 -3.730 1.00 0.00 C ATOM 730 CG2 VAL A 47 -4.462 -3.175 -5.920 1.00 0.00 C ATOM 0 H VAL A 47 -0.993 -2.492 -6.272 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.559 -0.918 -6.575 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.537 -3.182 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.226 -2.954 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.968 -1.696 -3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.583 -1.312 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.893 -3.972 -5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.236 -2.449 -6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.053 -3.598 -6.838 1.00 0.00 H new ATOM 740 N CYS A 48 -2.770 0.942 -5.194 1.00 0.00 N ATOM 741 CA CYS A 48 -2.290 2.082 -4.392 1.00 0.00 C ATOM 742 C CYS A 48 -3.264 2.447 -3.292 1.00 0.00 C ATOM 743 O CYS A 48 -4.363 2.967 -3.534 1.00 0.00 O ATOM 744 CB CYS A 48 -2.000 3.326 -5.217 1.00 0.00 C ATOM 745 SG CYS A 48 -0.307 3.415 -5.878 1.00 0.00 S ATOM 0 H CYS A 48 -3.629 1.118 -5.715 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.351 1.737 -3.958 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.704 3.367 -6.048 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.183 4.206 -4.601 1.00 0.00 H new ATOM 750 N ALA A 49 -2.821 2.203 -2.072 1.00 0.00 N ATOM 751 CA ALA A 49 -3.693 2.411 -0.923 1.00 0.00 C ATOM 752 C ALA A 49 -3.133 3.357 0.129 1.00 0.00 C ATOM 753 O ALA A 49 -2.087 3.078 0.706 1.00 0.00 O ATOM 754 CB ALA A 49 -3.885 1.021 -0.346 1.00 0.00 C ATOM 0 H ALA A 49 -1.884 1.868 -1.850 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.619 2.893 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.532 1.077 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.343 0.376 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.918 0.610 -0.056 1.00 0.00 H new ATOM 760 N ASP A 50 -3.898 4.386 0.475 1.00 0.00 N ATOM 761 CA ASP A 50 -3.422 5.373 1.462 1.00 0.00 C ATOM 762 C ASP A 50 -3.070 4.706 2.810 1.00 0.00 C ATOM 763 O ASP A 50 -3.877 3.884 3.285 1.00 0.00 O ATOM 764 CB ASP A 50 -4.463 6.468 1.692 1.00 0.00 C ATOM 765 CG ASP A 50 -3.925 7.872 1.420 1.00 0.00 C ATOM 766 OD1 ASP A 50 -4.100 8.323 0.267 1.00 0.00 O ATOM 767 OD2 ASP A 50 -3.507 8.489 2.419 1.00 0.00 O ATOM 0 H ASP A 50 -4.830 4.565 0.102 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.518 5.821 1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.324 6.284 1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.817 6.414 2.721 1.00 0.00 H new ATOM 773 N PRO A 51 -1.917 5.058 3.397 1.00 0.00 N ATOM 774 CA PRO A 51 -1.444 4.558 4.697 1.00 0.00 C ATOM 775 C PRO A 51 -2.208 5.136 5.891 1.00 0.00 C ATOM 776 O PRO A 51 -1.653 5.681 6.839 1.00 0.00 O ATOM 777 CB PRO A 51 0.060 4.796 4.737 1.00 0.00 C ATOM 778 CG PRO A 51 0.252 5.986 3.825 1.00 0.00 C ATOM 779 CD PRO A 51 -0.880 5.893 2.800 1.00 0.00 C ATOM 0 HA PRO A 51 -1.648 3.491 4.792 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.407 5.006 5.749 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.614 3.926 4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.202 6.921 4.382 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.227 5.956 3.339 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.269 6.883 2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.522 5.458 1.867 1.00 0.00 H new ATOM 787 N LYS A 52 -3.519 5.003 5.751 1.00 0.00 N ATOM 788 CA LYS A 52 -4.511 5.530 6.712 1.00 0.00 C ATOM 789 C LYS A 52 -5.320 4.377 7.336 1.00 0.00 C ATOM 790 O LYS A 52 -5.631 4.373 8.525 1.00 0.00 O ATOM 791 CB LYS A 52 -5.453 6.503 6.005 1.00 0.00 C ATOM 792 CG LYS A 52 -4.746 7.619 5.217 1.00 0.00 C ATOM 793 CD LYS A 52 -3.806 8.457 6.087 1.00 0.00 C ATOM 794 CE LYS A 52 -4.166 9.940 5.974 1.00 0.00 C ATOM 795 NZ LYS A 52 -3.480 10.669 7.036 1.00 0.00 N ATOM 0 H LYS A 52 -3.943 4.520 4.958 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.982 6.056 7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.089 5.941 5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.108 6.959 6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.178 7.176 4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.495 8.271 4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.877 8.136 7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.773 8.301 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.872 10.327 4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.244 10.075 6.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.716 11.680 6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.782 10.301 7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.452 10.546 6.934 1.00 0.00 H new ATOM 809 N GLN A 53 -5.630 3.410 6.486 1.00 0.00 N ATOM 810 CA GLN A 53 -6.374 2.195 6.844 1.00 0.00 C ATOM 811 C GLN A 53 -5.472 1.247 7.670 1.00 0.00 C ATOM 812 O GLN A 53 -4.251 1.270 7.521 1.00 0.00 O ATOM 813 CB GLN A 53 -6.774 1.497 5.548 1.00 0.00 C ATOM 814 CG GLN A 53 -7.463 2.420 4.534 1.00 0.00 C ATOM 815 CD GLN A 53 -8.881 1.990 4.176 1.00 0.00 C ATOM 816 OE1 GLN A 53 -9.593 1.307 4.898 1.00 0.00 O ATOM 817 NE2 GLN A 53 -9.296 2.373 2.986 1.00 0.00 N ATOM 0 H GLN A 53 -5.368 3.442 5.501 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.251 2.453 7.437 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.884 1.068 5.088 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.442 0.669 5.784 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.491 3.432 4.938 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.864 2.457 3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.692 2.943 2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.222 2.100 2.656 1.00 0.00 H new ATOM 826 N ASN A 54 -6.126 0.287 8.313 1.00 0.00 N ATOM 827 CA ASN A 54 -5.432 -0.724 9.144 1.00 0.00 C ATOM 828 C ASN A 54 -4.760 -1.821 8.320 1.00 0.00 C ATOM 829 O ASN A 54 -3.564 -2.058 8.483 1.00 0.00 O ATOM 830 CB ASN A 54 -6.391 -1.359 10.148 1.00 0.00 C ATOM 831 CG ASN A 54 -6.030 -1.024 11.594 1.00 0.00 C ATOM 832 OD1 ASN A 54 -4.967 -0.518 11.927 1.00 0.00 O ATOM 833 ND2 ASN A 54 -6.916 -1.359 12.491 1.00 0.00 N ATOM 0 H ASN A 54 -7.140 0.176 8.283 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.647 -0.184 9.673 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.406 -1.018 9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.385 -2.441 10.017 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.726 -1.200 13.480 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.799 -1.780 12.203 1.00 0.00 H new ATOM 840 N TRP A 55 -5.494 -2.427 7.390 1.00 0.00 N ATOM 841 CA TRP A 55 -4.976 -3.485 6.491 1.00 0.00 C ATOM 842 C TRP A 55 -3.660 -3.066 5.792 1.00 0.00 C ATOM 843 O TRP A 55 -2.655 -3.776 5.848 1.00 0.00 O ATOM 844 CB TRP A 55 -6.047 -3.849 5.455 1.00 0.00 C ATOM 845 CG TRP A 55 -6.301 -2.741 4.425 1.00 0.00 C ATOM 846 CD1 TRP A 55 -7.143 -1.721 4.570 1.00 0.00 C ATOM 847 CD2 TRP A 55 -5.664 -2.575 3.205 1.00 0.00 C ATOM 848 NE1 TRP A 55 -7.035 -0.898 3.523 1.00 0.00 N ATOM 849 CE2 TRP A 55 -6.182 -1.396 2.637 1.00 0.00 C ATOM 850 CE3 TRP A 55 -4.832 -3.431 2.442 1.00 0.00 C ATOM 851 CZ2 TRP A 55 -5.944 -1.100 1.280 1.00 0.00 C ATOM 852 CZ3 TRP A 55 -4.627 -3.140 1.079 1.00 0.00 C ATOM 853 CH2 TRP A 55 -5.187 -1.994 0.498 1.00 0.00 C ATOM 0 H TRP A 55 -6.476 -2.204 7.228 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.745 -4.359 7.100 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.744 -4.757 4.933 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.980 -4.075 5.972 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.812 -1.580 5.406 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.535 -0.015 3.420 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.363 -4.291 2.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.339 -0.195 0.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.031 -3.808 0.475 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.038 -1.796 -0.553 1.00 0.00 H new ATOM 864 N VAL A 56 -3.670 -1.832 5.304 1.00 0.00 N ATOM 865 CA VAL A 56 -2.501 -1.162 4.716 1.00 0.00 C ATOM 866 C VAL A 56 -1.364 -1.064 5.732 1.00 0.00 C ATOM 867 O VAL A 56 -0.287 -1.603 5.509 1.00 0.00 O ATOM 868 CB VAL A 56 -2.956 0.191 4.162 1.00 0.00 C ATOM 869 CG1 VAL A 56 -1.976 1.339 4.297 1.00 0.00 C ATOM 870 CG2 VAL A 56 -3.132 0.035 2.681 1.00 0.00 C ATOM 0 H VAL A 56 -4.507 -1.250 5.303 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.091 -1.741 3.888 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.846 0.439 4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.412 2.242 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.756 1.507 5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.055 1.095 3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.457 0.983 2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.184 -0.261 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.883 -0.730 2.482 1.00 0.00 H new ATOM 880 N LYS A 57 -1.662 -0.335 6.808 1.00 0.00 N ATOM 881 CA LYS A 57 -0.736 -0.109 7.910 1.00 0.00 C ATOM 882 C LYS A 57 -0.160 -1.426 8.452 1.00 0.00 C ATOM 883 O LYS A 57 1.011 -1.443 8.789 1.00 0.00 O ATOM 884 CB LYS A 57 -1.487 0.662 8.996 1.00 0.00 C ATOM 885 CG LYS A 57 -0.852 2.028 9.292 1.00 0.00 C ATOM 886 CD LYS A 57 0.420 1.939 10.157 1.00 0.00 C ATOM 887 CE LYS A 57 0.143 1.295 11.522 1.00 0.00 C ATOM 888 NZ LYS A 57 0.658 2.148 12.600 1.00 0.00 N ATOM 0 H LYS A 57 -2.566 0.120 6.937 1.00 0.00 H new ATOM 0 HA LYS A 57 0.119 0.469 7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.522 0.806 8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.508 0.069 9.910 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.608 2.518 8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.583 2.658 9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.177 1.359 9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.829 2.939 10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.929 1.143 11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.612 0.312 11.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.464 1.701 13.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.684 2.272 12.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.191 3.076 12.561 1.00 0.00 H new ATOM 902 N ARG A 58 -0.916 -2.512 8.345 1.00 0.00 N ATOM 903 CA ARG A 58 -0.497 -3.890 8.668 1.00 0.00 C ATOM 904 C ARG A 58 0.515 -4.464 7.665 1.00 0.00 C ATOM 905 O ARG A 58 1.595 -4.923 8.069 1.00 0.00 O ATOM 906 CB ARG A 58 -1.716 -4.801 8.678 1.00 0.00 C ATOM 907 CG ARG A 58 -1.777 -5.607 9.967 1.00 0.00 C ATOM 908 CD ARG A 58 -2.822 -6.720 9.871 1.00 0.00 C ATOM 909 NE ARG A 58 -4.192 -6.190 9.705 1.00 0.00 N ATOM 910 CZ ARG A 58 -5.246 -6.876 9.275 1.00 0.00 C ATOM 911 NH1 ARG A 58 -5.140 -8.146 8.895 1.00 0.00 N ATOM 912 NH2 ARG A 58 -6.436 -6.307 9.214 1.00 0.00 N ATOM 0 H ARG A 58 -1.881 -2.465 8.018 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.016 -3.846 9.645 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.622 -4.205 8.573 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.678 -5.476 7.823 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.799 -6.040 10.176 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.019 -4.948 10.801 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.582 -7.370 9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.779 -7.334 10.770 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.342 -5.209 9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.235 -8.615 8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.964 -8.651 8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.551 -5.334 9.498 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.240 -6.840 8.883 1.00 0.00 H new ATOM 926 N ALA A 59 0.206 -4.422 6.381 1.00 0.00 N ATOM 927 CA ALA A 59 1.160 -4.840 5.340 1.00 0.00 C ATOM 928 C ALA A 59 2.436 -3.970 5.382 1.00 0.00 C ATOM 929 O ALA A 59 3.526 -4.507 5.587 1.00 0.00 O ATOM 930 CB ALA A 59 0.462 -4.803 3.996 1.00 0.00 C ATOM 0 H ALA A 59 -0.695 -4.105 6.023 1.00 0.00 H new ATOM 0 HA ALA A 59 1.492 -5.863 5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.158 -5.111 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.391 -5.482 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.115 -3.790 3.794 1.00 0.00 H new ATOM 936 N VAL A 60 2.233 -2.670 5.548 1.00 0.00 N ATOM 937 CA VAL A 60 3.322 -1.705 5.793 1.00 0.00 C ATOM 938 C VAL A 60 4.033 -1.923 7.127 1.00 0.00 C ATOM 939 O VAL A 60 5.208 -1.639 7.214 1.00 0.00 O ATOM 940 CB VAL A 60 2.848 -0.258 5.569 1.00 0.00 C ATOM 941 CG1 VAL A 60 3.704 0.869 6.179 1.00 0.00 C ATOM 942 CG2 VAL A 60 2.821 -0.058 4.060 1.00 0.00 C ATOM 0 H VAL A 60 1.307 -2.243 5.518 1.00 0.00 H new ATOM 0 HA VAL A 60 4.093 -1.896 5.047 1.00 0.00 H new ATOM 0 HB VAL A 60 1.889 -0.170 6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.255 1.834 5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.752 0.744 7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.711 0.827 5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.491 0.956 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.821 -0.213 3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.132 -0.773 3.610 1.00 0.00 H new ATOM 952 N ASN A 61 3.370 -2.522 8.104 1.00 0.00 N ATOM 953 CA ASN A 61 3.925 -2.787 9.450 1.00 0.00 C ATOM 954 C ASN A 61 5.052 -3.815 9.372 1.00 0.00 C ATOM 955 O ASN A 61 6.185 -3.532 9.748 1.00 0.00 O ATOM 956 CB ASN A 61 2.817 -3.323 10.354 1.00 0.00 C ATOM 957 CG ASN A 61 3.142 -3.274 11.846 1.00 0.00 C ATOM 958 OD1 ASN A 61 4.270 -3.415 12.279 1.00 0.00 O ATOM 959 ND2 ASN A 61 2.108 -3.127 12.635 1.00 0.00 N ATOM 0 H ASN A 61 2.410 -2.850 7.995 1.00 0.00 H new ATOM 0 HA ASN A 61 4.324 -1.857 9.856 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.908 -2.749 10.173 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.604 -4.355 10.075 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.235 -3.128 13.647 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.176 -3.011 12.238 1.00 0.00 H new ATOM 966 N LEU A 62 4.768 -4.947 8.727 1.00 0.00 N ATOM 967 CA LEU A 62 5.798 -5.963 8.449 1.00 0.00 C ATOM 968 C LEU A 62 6.941 -5.416 7.580 1.00 0.00 C ATOM 969 O LEU A 62 8.109 -5.499 7.977 1.00 0.00 O ATOM 970 CB LEU A 62 5.206 -7.239 7.852 1.00 0.00 C ATOM 971 CG LEU A 62 4.650 -8.138 8.971 1.00 0.00 C ATOM 972 CD1 LEU A 62 3.175 -7.837 9.258 1.00 0.00 C ATOM 973 CD2 LEU A 62 4.807 -9.606 8.553 1.00 0.00 C ATOM 0 H LEU A 62 3.837 -5.188 8.386 1.00 0.00 H new ATOM 0 HA LEU A 62 6.229 -6.228 9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.412 -6.987 7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.970 -7.775 7.290 1.00 0.00 H new ATOM 0 HG LEU A 62 5.211 -7.940 9.884 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.818 -8.491 10.053 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.070 -6.798 9.569 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.587 -8.008 8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.416 -10.252 9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.255 -9.783 7.630 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.862 -9.828 8.392 1.00 0.00 H new ATOM 985 N LEU A 63 6.571 -4.628 6.564 1.00 0.00 N ATOM 986 CA LEU A 63 7.518 -3.872 5.733 1.00 0.00 C ATOM 987 C LEU A 63 8.313 -2.823 6.532 1.00 0.00 C ATOM 988 O LEU A 63 9.437 -2.524 6.183 1.00 0.00 O ATOM 989 CB LEU A 63 6.790 -3.230 4.542 1.00 0.00 C ATOM 990 CG LEU A 63 7.389 -1.977 3.891 1.00 0.00 C ATOM 991 CD1 LEU A 63 7.152 -1.958 2.381 1.00 0.00 C ATOM 992 CD2 LEU A 63 6.814 -0.710 4.534 1.00 0.00 C ATOM 0 H LEU A 63 5.597 -4.495 6.292 1.00 0.00 H new ATOM 0 HA LEU A 63 8.252 -4.584 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.695 -3.990 3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.781 -2.980 4.869 1.00 0.00 H new ATOM 0 HG LEU A 63 8.466 -2.003 4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.590 -1.055 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.616 -2.835 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.081 -1.970 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.250 0.169 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.732 -0.694 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.050 -0.703 5.598 1.00 0.00 H new ATOM 1004 N SER A 64 7.700 -2.269 7.574 1.00 0.00 N ATOM 1005 CA SER A 64 8.288 -1.193 8.402 1.00 0.00 C ATOM 1006 C SER A 64 9.499 -1.747 9.149 1.00 0.00 C ATOM 1007 O SER A 64 10.603 -1.358 8.816 1.00 0.00 O ATOM 1008 CB SER A 64 7.232 -0.646 9.370 1.00 0.00 C ATOM 1009 OG SER A 64 7.538 0.693 9.757 1.00 0.00 O ATOM 0 H SER A 64 6.769 -2.551 7.880 1.00 0.00 H new ATOM 0 HA SER A 64 8.618 -0.368 7.771 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.250 -0.676 8.898 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.180 -1.281 10.254 1.00 0.00 H new ATOM 0 HG SER A 64 6.850 1.021 10.373 1.00 0.00 H new ATOM 1015 N LEU A 65 9.329 -2.933 9.727 1.00 0.00 N ATOM 1016 CA LEU A 65 10.455 -3.667 10.346 1.00 0.00 C ATOM 1017 C LEU A 65 11.485 -4.148 9.303 1.00 0.00 C ATOM 1018 O LEU A 65 12.674 -4.274 9.600 1.00 0.00 O ATOM 1019 CB LEU A 65 9.924 -4.826 11.180 1.00 0.00 C ATOM 1020 CG LEU A 65 9.112 -4.273 12.364 1.00 0.00 C ATOM 1021 CD1 LEU A 65 7.736 -4.928 12.407 1.00 0.00 C ATOM 1022 CD2 LEU A 65 9.868 -4.447 13.681 1.00 0.00 C ATOM 0 H LEU A 65 8.431 -3.414 9.785 1.00 0.00 H new ATOM 0 HA LEU A 65 10.985 -2.976 11.002 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.298 -5.473 10.566 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.751 -5.435 11.545 1.00 0.00 H new ATOM 0 HG LEU A 65 8.970 -3.202 12.221 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.170 -4.530 13.249 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.204 -4.718 11.479 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.850 -6.006 12.524 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.270 -4.047 14.500 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.058 -5.506 13.854 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.816 -3.912 13.630 1.00 0.00 H new ATOM 1034 N ARG A 66 11.019 -4.391 8.072 1.00 0.00 N ATOM 1035 CA ARG A 66 11.877 -4.789 6.935 1.00 0.00 C ATOM 1036 C ARG A 66 12.687 -3.637 6.313 1.00 0.00 C ATOM 1037 O ARG A 66 13.909 -3.610 6.401 1.00 0.00 O ATOM 1038 CB ARG A 66 11.057 -5.523 5.869 1.00 0.00 C ATOM 1039 CG ARG A 66 11.438 -7.006 5.782 1.00 0.00 C ATOM 1040 CD ARG A 66 12.937 -7.197 5.530 1.00 0.00 C ATOM 1041 NE ARG A 66 13.235 -7.673 4.162 1.00 0.00 N ATOM 1042 CZ ARG A 66 13.287 -6.967 3.037 1.00 0.00 C ATOM 1043 NH1 ARG A 66 13.045 -5.660 2.978 1.00 0.00 N ATOM 1044 NH2 ARG A 66 13.607 -7.580 1.900 1.00 0.00 N ATOM 0 H ARG A 66 10.031 -4.318 7.829 1.00 0.00 H new ATOM 0 HA ARG A 66 12.620 -5.468 7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.996 -5.433 6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.213 -5.050 4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.159 -7.507 6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.872 -7.480 4.980 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.452 -6.252 5.700 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.334 -7.911 6.252 1.00 0.00 H new ATOM 0 HE ARG A 66 13.425 -8.671 4.070 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.804 -5.147 3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.100 -5.171 2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.809 -8.580 1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.650 -7.050 1.030 1.00 0.00 H new ATOM 1058 N VAL A 67 11.977 -2.659 5.765 1.00 0.00 N ATOM 1059 CA VAL A 67 12.523 -1.446 5.104 1.00 0.00 C ATOM 1060 C VAL A 67 12.699 -0.331 6.160 1.00 0.00 C ATOM 1061 O VAL A 67 12.425 0.843 5.925 1.00 0.00 O ATOM 1062 CB VAL A 67 11.576 -1.024 3.947 1.00 0.00 C ATOM 1063 CG1 VAL A 67 12.130 0.138 3.114 1.00 0.00 C ATOM 1064 CG2 VAL A 67 11.315 -2.172 2.958 1.00 0.00 C ATOM 0 H VAL A 67 10.957 -2.676 5.761 1.00 0.00 H new ATOM 0 HA VAL A 67 13.502 -1.646 4.669 1.00 0.00 H new ATOM 0 HB VAL A 67 10.658 -0.726 4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.424 0.387 2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.277 1.007 3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.083 -0.153 2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.648 -1.827 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.259 -2.496 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.853 -3.007 3.484 1.00 0.00 H new ATOM 1074 N LYS A 68 13.181 -0.743 7.340 1.00 0.00 N ATOM 1075 CA LYS A 68 13.504 0.148 8.475 1.00 0.00 C ATOM 1076 C LYS A 68 14.005 -0.705 9.651 1.00 0.00 C ATOM 1077 O LYS A 68 13.268 -1.110 10.554 1.00 0.00 O ATOM 1078 CB LYS A 68 12.293 0.987 8.915 1.00 0.00 C ATOM 1079 CG LYS A 68 12.611 2.461 9.112 1.00 0.00 C ATOM 1080 CD LYS A 68 11.982 2.940 10.425 1.00 0.00 C ATOM 1081 CE LYS A 68 12.820 2.445 11.614 1.00 0.00 C ATOM 1082 NZ LYS A 68 12.037 2.536 12.848 1.00 0.00 N ATOM 0 H LYS A 68 13.363 -1.726 7.542 1.00 0.00 H new ATOM 0 HA LYS A 68 14.278 0.844 8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.505 0.891 8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.900 0.581 9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.690 2.613 9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.225 3.044 8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.926 4.028 10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.961 2.567 10.507 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.132 1.414 11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.728 3.042 11.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.610 2.200 13.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.761 3.525 13.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.184 1.948 12.762 1.00 0.00 H new ATOM 1096 N LYS A 69 15.276 -1.066 9.531 1.00 0.00 N ATOM 1097 CA LYS A 69 15.990 -1.805 10.575 1.00 0.00 C ATOM 1098 C LYS A 69 16.090 -0.967 11.860 1.00 0.00 C ATOM 1099 O LYS A 69 15.749 0.215 11.907 1.00 0.00 O ATOM 1100 CB LYS A 69 17.386 -2.208 10.068 1.00 0.00 C ATOM 1101 CG LYS A 69 17.725 -3.666 10.385 1.00 0.00 C ATOM 1102 CD LYS A 69 16.762 -4.622 9.672 1.00 0.00 C ATOM 1103 CE LYS A 69 17.469 -5.856 9.096 1.00 0.00 C ATOM 1104 NZ LYS A 69 17.688 -6.887 10.116 1.00 0.00 N ATOM 0 H LYS A 69 15.844 -0.857 8.710 1.00 0.00 H new ATOM 0 HA LYS A 69 15.432 -2.711 10.812 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.437 -2.052 8.990 1.00 0.00 H new ATOM 0 HB3 LYS A 69 18.135 -1.558 10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.749 -3.880 10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 69 17.674 -3.829 11.462 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.992 -4.944 10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.257 -4.089 8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.872 -6.270 8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.427 -5.559 8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.168 -7.704 9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.279 -6.500 10.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.773 -7.189 10.506 1.00 0.00 H new ATOM 1118 N MET A 70 16.543 -1.625 12.926 1.00 0.00 N ATOM 1119 CA MET A 70 16.655 -1.011 14.264 1.00 0.00 C ATOM 1120 C MET A 70 18.068 -1.089 14.877 1.00 0.00 C ATOM 1121 O MET A 70 19.023 -1.208 14.079 1.00 0.00 O ATOM 1122 CB MET A 70 15.528 -1.589 15.148 1.00 0.00 C ATOM 1123 CG MET A 70 15.561 -3.107 15.350 1.00 0.00 C ATOM 1124 SD MET A 70 16.722 -3.674 16.648 1.00 0.00 S ATOM 1125 CE MET A 70 15.908 -3.033 18.103 1.00 0.00 C ATOM 1126 OXT MET A 70 18.190 -1.038 16.125 1.00 0.00 O ATOM 0 H MET A 70 16.845 -2.599 12.895 1.00 0.00 H new ATOM 0 HA MET A 70 16.513 0.067 14.183 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.574 -1.109 16.125 1.00 0.00 H new ATOM 0 HB3 MET A 70 14.569 -1.320 14.706 1.00 0.00 H new ATOM 0 HG2 MET A 70 14.558 -3.449 15.603 1.00 0.00 H new ATOM 0 HG3 MET A 70 15.831 -3.581 14.406 1.00 0.00 H new ATOM 0 HE1 MET A 70 16.236 -3.592 18.979 1.00 0.00 H new ATOM 0 HE2 MET A 70 16.162 -1.980 18.228 1.00 0.00 H new ATOM 0 HE3 MET A 70 14.829 -3.135 17.991 1.00 0.00 H new TER 1136 MET A 70