USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 639 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 56 SER OG : rot 180:sc= 0.0153 USER MOD Set 1.2: A 58 SER OG : rot 180:sc=-0.00568 USER MOD Set 2.1: A 46 HIS :FLIP no HE2:sc= 0.16 F(o=-1.3,f=0.67) USER MOD Set 2.2: A 48 CYS SG : rot 2:sc= 0.513 USER MOD Single : A 6 GLN : amide:sc= -0.0903 X(o=-0.09,f=-0.09) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.619 K(o=-0.62,f=-2.7!) USER MOD Single : A 22 THR OG1 : rot -150:sc= -0.0331 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -170:sc= -1.49 USER MOD Single : A 47 ASN : amide:sc= -0.522 K(o=-0.52,f=-2.7!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0682 USER MOD Single : A 55 MET CE :methyl -151:sc= 0 (180deg=-1.21) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 29:sc= -3.87! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00332 USER MOD Single : A 79 LYS NZ :NH3+ -169:sc= -0.031 (180deg=-0.229) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 43:sc= -0.389 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -73:sc= 0.0202 USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= -0.0442 (180deg=-0.245) USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= -0.0136 (180deg=-0.188) USER MOD ----------------------------------------------------------------- ATOM 62 N GLN A 6 -16.598 6.242 -1.892 1.00 0.00 N ATOM 63 CA GLN A 6 -15.391 7.045 -2.059 1.00 0.00 C ATOM 64 C GLN A 6 -14.144 6.165 -2.100 1.00 0.00 C ATOM 65 O GLN A 6 -14.035 5.197 -1.348 1.00 0.00 O ATOM 66 CB GLN A 6 -15.274 8.062 -0.923 1.00 0.00 C ATOM 67 CG GLN A 6 -16.424 9.056 -0.871 1.00 0.00 C ATOM 68 CD GLN A 6 -16.527 9.895 -2.130 1.00 0.00 C ATOM 69 OE1 GLN A 6 -15.597 10.618 -2.486 1.00 0.00 O ATOM 70 NE2 GLN A 6 -17.664 9.803 -2.809 1.00 0.00 N ATOM 0 HA GLN A 6 -15.467 7.573 -3.009 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.223 7.529 0.026 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.337 8.609 -1.032 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -17.359 8.517 -0.721 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.293 9.713 -0.011 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.409 9.190 -2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.793 10.345 -3.663 1.00 0.00 H new ATOM 79 N PRO A 7 -13.177 6.494 -2.977 1.00 0.00 N ATOM 80 CA PRO A 7 -11.932 5.729 -3.100 1.00 0.00 C ATOM 81 C PRO A 7 -11.110 5.759 -1.813 1.00 0.00 C ATOM 82 O PRO A 7 -11.061 6.778 -1.125 1.00 0.00 O ATOM 83 CB PRO A 7 -11.178 6.433 -4.234 1.00 0.00 C ATOM 84 CG PRO A 7 -11.776 7.796 -4.307 1.00 0.00 C ATOM 85 CD PRO A 7 -13.214 7.637 -3.907 1.00 0.00 C ATOM 0 HA PRO A 7 -12.123 4.674 -3.297 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.109 6.482 -4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.296 5.899 -5.177 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.259 8.485 -3.640 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.694 8.205 -5.314 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.601 8.536 -3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.852 7.436 -4.768 1.00 0.00 H new ATOM 93 N PRO A 8 -10.450 4.638 -1.468 1.00 0.00 N ATOM 94 CA PRO A 8 -9.629 4.545 -0.255 1.00 0.00 C ATOM 95 C PRO A 8 -8.528 5.599 -0.217 1.00 0.00 C ATOM 96 O PRO A 8 -7.877 5.868 -1.228 1.00 0.00 O ATOM 97 CB PRO A 8 -9.020 3.137 -0.328 1.00 0.00 C ATOM 98 CG PRO A 8 -9.199 2.702 -1.743 1.00 0.00 C ATOM 99 CD PRO A 8 -10.448 3.378 -2.227 1.00 0.00 C ATOM 0 HA PRO A 8 -10.221 4.717 0.644 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.966 3.150 -0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.522 2.456 0.359 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.340 2.987 -2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.291 1.618 -1.810 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.422 3.553 -3.302 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.337 2.781 -2.022 1.00 0.00 H new ATOM 107 N LEU A 9 -8.327 6.195 0.954 1.00 0.00 N ATOM 108 CA LEU A 9 -7.306 7.223 1.126 1.00 0.00 C ATOM 109 C LEU A 9 -6.359 6.844 2.264 1.00 0.00 C ATOM 110 O LEU A 9 -6.795 6.593 3.389 1.00 0.00 O ATOM 111 CB LEU A 9 -7.976 8.577 1.403 1.00 0.00 C ATOM 112 CG LEU A 9 -7.077 9.814 1.266 1.00 0.00 C ATOM 113 CD1 LEU A 9 -6.033 9.856 2.369 1.00 0.00 C ATOM 114 CD2 LEU A 9 -6.411 9.843 -0.102 1.00 0.00 C ATOM 0 H LEU A 9 -8.858 5.984 1.799 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.720 7.304 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.820 8.688 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.383 8.558 2.414 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.706 10.699 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.410 10.742 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.529 9.892 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.409 8.964 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.778 10.727 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.802 8.948 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.176 9.875 -0.878 1.00 0.00 H new ATOM 126 N VAL A 10 -5.066 6.793 1.958 1.00 0.00 N ATOM 127 CA VAL A 10 -4.052 6.430 2.946 1.00 0.00 C ATOM 128 C VAL A 10 -3.569 7.640 3.745 1.00 0.00 C ATOM 129 O VAL A 10 -3.315 8.707 3.188 1.00 0.00 O ATOM 130 CB VAL A 10 -2.844 5.751 2.275 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.787 5.387 3.307 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.289 4.518 1.503 1.00 0.00 C ATOM 0 H VAL A 10 -4.694 6.999 1.031 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.527 5.730 3.634 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.401 6.456 1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.943 4.909 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.446 6.290 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.214 4.701 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.423 4.050 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.759 3.811 2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.004 4.809 0.734 1.00 0.00 H new ATOM 142 N THR A 11 -3.432 7.448 5.056 1.00 0.00 N ATOM 143 CA THR A 11 -2.969 8.498 5.960 1.00 0.00 C ATOM 144 C THR A 11 -2.276 7.898 7.181 1.00 0.00 C ATOM 145 O THR A 11 -2.532 8.308 8.314 1.00 0.00 O ATOM 146 CB THR A 11 -4.131 9.390 6.445 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.205 8.573 6.928 1.00 0.00 O ATOM 148 CG2 THR A 11 -4.633 10.297 5.334 1.00 0.00 C ATOM 0 H THR A 11 -3.638 6.563 5.520 1.00 0.00 H new ATOM 0 HA THR A 11 -2.265 9.108 5.394 1.00 0.00 H new ATOM 0 HB THR A 11 -3.758 10.019 7.253 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.939 9.145 7.236 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.451 10.912 5.708 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.821 10.940 4.995 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.987 9.690 4.501 1.00 0.00 H new ATOM 156 N GLY A 12 -1.402 6.922 6.946 1.00 0.00 N ATOM 157 CA GLY A 12 -0.699 6.286 8.046 1.00 0.00 C ATOM 158 C GLY A 12 0.298 5.235 7.591 1.00 0.00 C ATOM 159 O GLY A 12 0.058 4.516 6.622 1.00 0.00 O ATOM 0 H GLY A 12 -1.170 6.563 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.176 7.048 8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.426 5.823 8.714 1.00 0.00 H new ATOM 163 N ILE A 13 1.417 5.148 8.305 1.00 0.00 N ATOM 164 CA ILE A 13 2.462 4.180 7.992 1.00 0.00 C ATOM 165 C ILE A 13 3.378 3.976 9.194 1.00 0.00 C ATOM 166 O ILE A 13 3.880 4.941 9.773 1.00 0.00 O ATOM 167 CB ILE A 13 3.309 4.631 6.780 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.395 3.595 6.470 1.00 0.00 C ATOM 169 CG2 ILE A 13 3.930 5.997 7.039 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.189 3.902 5.218 1.00 0.00 C ATOM 0 H ILE A 13 1.623 5.741 9.109 1.00 0.00 H new ATOM 0 HA ILE A 13 1.968 3.241 7.742 1.00 0.00 H new ATOM 0 HB ILE A 13 2.653 4.712 5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.078 3.533 7.317 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.930 2.615 6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.522 6.297 6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.141 6.729 7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.572 5.944 7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.938 3.126 5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.517 3.934 4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.684 4.867 5.328 1.00 0.00 H new ATOM 182 N SER A 14 3.593 2.718 9.572 1.00 0.00 N ATOM 183 CA SER A 14 4.450 2.411 10.710 1.00 0.00 C ATOM 184 C SER A 14 5.879 2.896 10.451 1.00 0.00 C ATOM 185 O SER A 14 6.403 3.707 11.214 1.00 0.00 O ATOM 186 CB SER A 14 4.427 0.911 11.021 1.00 0.00 C ATOM 187 OG SER A 14 5.271 0.603 12.116 1.00 0.00 O ATOM 0 H SER A 14 3.189 1.903 9.111 1.00 0.00 H new ATOM 0 HA SER A 14 4.064 2.938 11.582 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.407 0.599 11.245 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.746 0.350 10.143 1.00 0.00 H new ATOM 0 HG SER A 14 5.237 -0.360 12.295 1.00 0.00 H new ATOM 193 N PRO A 15 6.533 2.431 9.363 1.00 0.00 N ATOM 194 CA PRO A 15 7.893 2.862 9.037 1.00 0.00 C ATOM 195 C PRO A 15 7.915 4.270 8.440 1.00 0.00 C ATOM 196 O PRO A 15 7.000 5.061 8.671 1.00 0.00 O ATOM 197 CB PRO A 15 8.348 1.816 8.015 1.00 0.00 C ATOM 198 CG PRO A 15 7.097 1.401 7.329 1.00 0.00 C ATOM 199 CD PRO A 15 6.010 1.468 8.368 1.00 0.00 C ATOM 0 HA PRO A 15 8.540 2.922 9.912 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.067 2.235 7.311 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.834 0.970 8.501 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.875 2.060 6.490 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.189 0.392 6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.067 1.808 7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.823 0.492 8.816 1.00 0.00 H new ATOM 207 N ASN A 16 8.960 4.581 7.676 1.00 0.00 N ATOM 208 CA ASN A 16 9.096 5.893 7.054 1.00 0.00 C ATOM 209 C ASN A 16 10.227 5.880 6.031 1.00 0.00 C ATOM 210 O ASN A 16 10.191 6.603 5.035 1.00 0.00 O ATOM 211 CB ASN A 16 9.349 6.963 8.120 1.00 0.00 C ATOM 212 CG ASN A 16 9.510 8.353 7.533 1.00 0.00 C ATOM 213 OD1 ASN A 16 10.435 8.613 6.763 1.00 0.00 O ATOM 214 ND2 ASN A 16 8.607 9.256 7.896 1.00 0.00 N ATOM 0 H ASN A 16 9.726 3.939 7.473 1.00 0.00 H new ATOM 0 HA ASN A 16 8.166 6.132 6.538 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.520 6.967 8.828 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.247 6.705 8.681 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.664 10.208 7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.856 8.998 8.537 1.00 0.00 H new ATOM 221 N GLU A 17 11.226 5.041 6.285 1.00 0.00 N ATOM 222 CA GLU A 17 12.371 4.912 5.393 1.00 0.00 C ATOM 223 C GLU A 17 12.988 3.523 5.522 1.00 0.00 C ATOM 224 O GLU A 17 13.239 3.046 6.629 1.00 0.00 O ATOM 225 CB GLU A 17 13.416 5.985 5.707 1.00 0.00 C ATOM 226 CG GLU A 17 13.913 5.950 7.144 1.00 0.00 C ATOM 227 CD GLU A 17 14.934 7.031 7.435 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.594 8.225 7.290 1.00 0.00 O ATOM 229 OE2 GLU A 17 16.075 6.686 7.808 1.00 0.00 O ATOM 0 H GLU A 17 11.265 4.437 7.106 1.00 0.00 H new ATOM 0 HA GLU A 17 12.028 5.050 4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.265 5.861 5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.989 6.967 5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.066 6.064 7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.354 4.974 7.348 1.00 0.00 H new ATOM 236 N GLY A 18 13.221 2.872 4.385 1.00 0.00 N ATOM 237 CA GLY A 18 13.797 1.540 4.405 1.00 0.00 C ATOM 238 C GLY A 18 13.922 0.932 3.022 1.00 0.00 C ATOM 239 O GLY A 18 13.151 1.258 2.117 1.00 0.00 O ATOM 0 H GLY A 18 13.022 3.241 3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.783 1.583 4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.180 0.892 5.027 1.00 0.00 H new ATOM 243 N ILE A 19 14.897 0.042 2.863 1.00 0.00 N ATOM 244 CA ILE A 19 15.140 -0.630 1.592 1.00 0.00 C ATOM 245 C ILE A 19 13.863 -1.277 1.047 1.00 0.00 C ATOM 246 O ILE A 19 12.891 -1.454 1.777 1.00 0.00 O ATOM 247 CB ILE A 19 16.239 -1.701 1.739 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.838 -2.732 2.800 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.564 -1.041 2.096 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.829 -3.865 2.957 1.00 0.00 C ATOM 0 H ILE A 19 15.538 -0.232 3.608 1.00 0.00 H new ATOM 0 HA ILE A 19 15.473 0.130 0.885 1.00 0.00 H new ATOM 0 HB ILE A 19 16.358 -2.222 0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.723 -2.227 3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.864 -3.147 2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 19 18.335 -1.805 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.847 -0.343 1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 19 17.460 -0.502 3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.476 -4.553 3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.927 -4.397 2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.799 -3.462 3.249 1.00 0.00 H new ATOM 262 N PRO A 20 13.842 -1.617 -0.257 1.00 0.00 N ATOM 263 CA PRO A 20 12.670 -2.227 -0.907 1.00 0.00 C ATOM 264 C PRO A 20 12.096 -3.427 -0.152 1.00 0.00 C ATOM 265 O PRO A 20 10.882 -3.561 -0.019 1.00 0.00 O ATOM 266 CB PRO A 20 13.221 -2.672 -2.260 1.00 0.00 C ATOM 267 CG PRO A 20 14.329 -1.722 -2.545 1.00 0.00 C ATOM 268 CD PRO A 20 14.952 -1.414 -1.212 1.00 0.00 C ATOM 0 HA PRO A 20 11.839 -1.523 -0.959 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.580 -3.700 -2.223 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.454 -2.630 -3.033 1.00 0.00 H new ATOM 0 HG2 PRO A 20 15.058 -2.163 -3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.955 -0.816 -3.022 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.791 -2.076 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.333 -0.394 -1.173 1.00 0.00 H new ATOM 276 N TRP A 21 12.961 -4.312 0.323 1.00 0.00 N ATOM 277 CA TRP A 21 12.504 -5.500 1.038 1.00 0.00 C ATOM 278 C TRP A 21 11.927 -5.163 2.412 1.00 0.00 C ATOM 279 O TRP A 21 11.400 -6.038 3.098 1.00 0.00 O ATOM 280 CB TRP A 21 13.634 -6.520 1.176 1.00 0.00 C ATOM 281 CG TRP A 21 14.022 -7.148 -0.128 1.00 0.00 C ATOM 282 CD1 TRP A 21 15.146 -6.898 -0.859 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.268 -8.118 -0.866 1.00 0.00 C ATOM 284 NE1 TRP A 21 15.147 -7.665 -1.999 1.00 0.00 N ATOM 285 CE2 TRP A 21 14.002 -8.419 -2.028 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.045 -8.763 -0.654 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.553 -9.338 -2.974 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.600 -9.673 -1.594 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.353 -9.954 -2.742 1.00 0.00 C ATOM 0 H TRP A 21 13.974 -4.234 0.229 1.00 0.00 H new ATOM 0 HA TRP A 21 11.701 -5.937 0.443 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.506 -6.031 1.610 1.00 0.00 H new ATOM 0 HB3 TRP A 21 13.327 -7.301 1.872 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.922 -6.199 -0.582 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.880 -7.672 -2.708 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.459 -8.554 0.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 14.132 -9.557 -3.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.656 -10.176 -1.441 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.979 -10.671 -3.458 1.00 0.00 H new ATOM 300 N THR A 22 12.020 -3.898 2.812 1.00 0.00 N ATOM 301 CA THR A 22 11.494 -3.473 4.107 1.00 0.00 C ATOM 302 C THR A 22 9.971 -3.551 4.134 1.00 0.00 C ATOM 303 O THR A 22 9.297 -3.004 3.261 1.00 0.00 O ATOM 304 CB THR A 22 11.926 -2.034 4.457 1.00 0.00 C ATOM 305 OG1 THR A 22 13.354 -1.960 4.546 1.00 0.00 O ATOM 306 CG2 THR A 22 11.308 -1.581 5.773 1.00 0.00 C ATOM 0 H THR A 22 12.451 -3.154 2.263 1.00 0.00 H new ATOM 0 HA THR A 22 11.908 -4.156 4.849 1.00 0.00 H new ATOM 0 HB THR A 22 11.574 -1.373 3.665 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.606 -1.266 5.190 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.630 -0.563 5.995 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.221 -1.609 5.693 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.630 -2.246 6.574 1.00 0.00 H new ATOM 314 N LYS A 23 9.436 -4.226 5.146 1.00 0.00 N ATOM 315 CA LYS A 23 7.993 -4.365 5.293 1.00 0.00 C ATOM 316 C LYS A 23 7.375 -3.043 5.733 1.00 0.00 C ATOM 317 O LYS A 23 7.929 -2.344 6.583 1.00 0.00 O ATOM 318 CB LYS A 23 7.662 -5.462 6.306 1.00 0.00 C ATOM 319 CG LYS A 23 6.170 -5.727 6.454 1.00 0.00 C ATOM 320 CD LYS A 23 5.892 -6.834 7.461 1.00 0.00 C ATOM 321 CE LYS A 23 6.326 -6.437 8.863 1.00 0.00 C ATOM 322 NZ LYS A 23 6.063 -7.519 9.853 1.00 0.00 N ATOM 0 H LYS A 23 9.981 -4.685 5.876 1.00 0.00 H new ATOM 0 HA LYS A 23 7.574 -4.644 4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.158 -6.385 6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.071 -5.183 7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.668 -4.813 6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.751 -6.002 5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.827 -7.067 7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.417 -7.741 7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.390 -6.198 8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.797 -5.533 9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.373 -7.209 10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.045 -7.730 9.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.588 -8.374 9.580 1.00 0.00 H new ATOM 336 N VAL A 24 6.231 -2.701 5.153 1.00 0.00 N ATOM 337 CA VAL A 24 5.550 -1.458 5.492 1.00 0.00 C ATOM 338 C VAL A 24 4.048 -1.676 5.663 1.00 0.00 C ATOM 339 O VAL A 24 3.384 -2.230 4.786 1.00 0.00 O ATOM 340 CB VAL A 24 5.795 -0.374 4.420 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.278 -0.051 4.317 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.252 -0.816 3.068 1.00 0.00 C ATOM 0 H VAL A 24 5.757 -3.265 4.448 1.00 0.00 H new ATOM 0 HA VAL A 24 5.966 -1.116 6.440 1.00 0.00 H new ATOM 0 HB VAL A 24 5.263 0.528 4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.432 0.715 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.638 0.315 5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.828 -0.951 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.436 -0.036 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.751 -1.734 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.180 -0.994 3.147 1.00 0.00 H new ATOM 352 N THR A 25 3.520 -1.241 6.804 1.00 0.00 N ATOM 353 CA THR A 25 2.099 -1.389 7.095 1.00 0.00 C ATOM 354 C THR A 25 1.296 -0.215 6.544 1.00 0.00 C ATOM 355 O THR A 25 1.584 0.944 6.848 1.00 0.00 O ATOM 356 CB THR A 25 1.846 -1.505 8.612 1.00 0.00 C ATOM 357 OG1 THR A 25 2.548 -2.637 9.140 1.00 0.00 O ATOM 358 CG2 THR A 25 0.360 -1.643 8.910 1.00 0.00 C ATOM 0 H THR A 25 4.056 -0.783 7.541 1.00 0.00 H new ATOM 0 HA THR A 25 1.771 -2.307 6.607 1.00 0.00 H new ATOM 0 HB THR A 25 2.211 -0.594 9.086 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.384 -2.703 10.104 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.211 -1.723 9.987 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.169 -0.767 8.534 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.027 -2.538 8.423 1.00 0.00 H new ATOM 366 N ILE A 26 0.282 -0.521 5.739 1.00 0.00 N ATOM 367 CA ILE A 26 -0.567 0.509 5.156 1.00 0.00 C ATOM 368 C ILE A 26 -1.697 0.885 6.107 1.00 0.00 C ATOM 369 O ILE A 26 -2.295 0.021 6.747 1.00 0.00 O ATOM 370 CB ILE A 26 -1.171 0.059 3.810 1.00 0.00 C ATOM 371 CG1 ILE A 26 -0.060 -0.335 2.834 1.00 0.00 C ATOM 372 CG2 ILE A 26 -2.033 1.169 3.221 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.571 -0.813 1.491 1.00 0.00 C ATOM 0 H ILE A 26 0.030 -1.474 5.477 1.00 0.00 H new ATOM 0 HA ILE A 26 0.068 1.377 4.981 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.802 -0.813 3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.596 0.521 2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.545 -1.122 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.453 0.838 2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.842 1.407 3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.422 2.057 3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.273 -1.074 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.203 -1.689 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.151 -0.020 1.019 1.00 0.00 H new ATOM 385 N ARG A 27 -1.988 2.178 6.188 1.00 0.00 N ATOM 386 CA ARG A 27 -3.051 2.676 7.054 1.00 0.00 C ATOM 387 C ARG A 27 -3.775 3.838 6.386 1.00 0.00 C ATOM 388 O ARG A 27 -3.142 4.770 5.894 1.00 0.00 O ATOM 389 CB ARG A 27 -2.481 3.126 8.402 1.00 0.00 C ATOM 390 CG ARG A 27 -1.829 2.007 9.201 1.00 0.00 C ATOM 391 CD ARG A 27 -2.834 0.930 9.586 1.00 0.00 C ATOM 392 NE ARG A 27 -3.924 1.456 10.407 1.00 0.00 N ATOM 393 CZ ARG A 27 -3.755 1.983 11.617 1.00 0.00 C ATOM 394 NH1 ARG A 27 -2.547 2.039 12.161 1.00 0.00 N ATOM 395 NH2 ARG A 27 -4.799 2.448 12.289 1.00 0.00 N ATOM 0 H ARG A 27 -1.501 2.904 5.662 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.760 1.866 7.226 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.746 3.912 8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.283 3.564 8.996 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.025 1.562 8.615 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.375 2.420 10.102 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.247 0.481 8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.322 0.137 10.131 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.871 1.416 10.029 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.741 1.677 11.652 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.424 2.444 13.089 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.732 2.402 11.878 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.670 2.852 13.217 1.00 0.00 H new ATOM 409 N GLY A 28 -5.103 3.774 6.367 1.00 0.00 N ATOM 410 CA GLY A 28 -5.884 4.830 5.747 1.00 0.00 C ATOM 411 C GLY A 28 -7.366 4.709 6.043 1.00 0.00 C ATOM 412 O GLY A 28 -7.759 4.537 7.196 1.00 0.00 O ATOM 0 H GLY A 28 -5.651 3.013 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.525 5.797 6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.729 4.806 4.668 1.00 0.00 H new ATOM 416 N GLU A 29 -8.192 4.805 5.002 1.00 0.00 N ATOM 417 CA GLU A 29 -9.639 4.713 5.166 1.00 0.00 C ATOM 418 C GLU A 29 -10.295 3.986 3.994 1.00 0.00 C ATOM 419 O GLU A 29 -10.000 4.264 2.831 1.00 0.00 O ATOM 420 CB GLU A 29 -10.248 6.114 5.297 1.00 0.00 C ATOM 421 CG GLU A 29 -9.774 6.887 6.518 1.00 0.00 C ATOM 422 CD GLU A 29 -10.193 6.233 7.821 1.00 0.00 C ATOM 423 OE1 GLU A 29 -11.408 6.016 8.012 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.309 5.946 8.654 1.00 0.00 O ATOM 0 H GLU A 29 -7.884 4.946 4.040 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.828 4.140 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.008 6.688 4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.334 6.024 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.688 6.971 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.173 7.900 6.479 1.00 0.00 H new ATOM 431 N ASN A 30 -11.202 3.067 4.318 1.00 0.00 N ATOM 432 CA ASN A 30 -11.936 2.300 3.312 1.00 0.00 C ATOM 433 C ASN A 30 -11.015 1.480 2.409 1.00 0.00 C ATOM 434 O ASN A 30 -11.219 1.424 1.196 1.00 0.00 O ATOM 435 CB ASN A 30 -12.795 3.238 2.460 1.00 0.00 C ATOM 436 CG ASN A 30 -13.817 3.994 3.284 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.679 3.396 3.930 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.728 5.319 3.266 1.00 0.00 N ATOM 0 H ASN A 30 -11.449 2.833 5.280 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.572 1.597 3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.150 3.950 1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.308 2.659 1.692 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.389 5.882 3.801 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.998 5.774 2.717 1.00 0.00 H new ATOM 445 N LEU A 31 -10.019 0.823 2.998 1.00 0.00 N ATOM 446 CA LEU A 31 -9.104 -0.013 2.225 1.00 0.00 C ATOM 447 C LEU A 31 -9.707 -1.398 2.004 1.00 0.00 C ATOM 448 O LEU A 31 -9.071 -2.417 2.278 1.00 0.00 O ATOM 449 CB LEU A 31 -7.741 -0.134 2.914 1.00 0.00 C ATOM 450 CG LEU A 31 -6.837 1.098 2.805 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.453 2.292 3.516 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.456 0.796 3.366 1.00 0.00 C ATOM 0 H LEU A 31 -9.826 0.852 3.999 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.951 0.467 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.905 -0.351 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.214 -0.989 2.491 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.735 1.351 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.790 3.152 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.417 2.526 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.593 2.055 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.827 1.682 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.543 0.513 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.007 -0.023 2.805 1.00 0.00 H new ATOM 464 N GLY A 32 -10.943 -1.425 1.515 1.00 0.00 N ATOM 465 CA GLY A 32 -11.625 -2.682 1.272 1.00 0.00 C ATOM 466 C GLY A 32 -12.172 -3.302 2.544 1.00 0.00 C ATOM 467 O GLY A 32 -11.434 -3.517 3.505 1.00 0.00 O ATOM 0 H GLY A 32 -11.486 -0.594 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.443 -2.518 0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.935 -3.381 0.799 1.00 0.00 H new ATOM 471 N THR A 33 -13.472 -3.583 2.548 1.00 0.00 N ATOM 472 CA THR A 33 -14.126 -4.175 3.707 1.00 0.00 C ATOM 473 C THR A 33 -14.044 -5.700 3.673 1.00 0.00 C ATOM 474 O THR A 33 -14.999 -6.390 4.033 1.00 0.00 O ATOM 475 CB THR A 33 -15.607 -3.753 3.786 1.00 0.00 C ATOM 476 OG1 THR A 33 -16.330 -4.291 2.673 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.736 -2.236 3.789 1.00 0.00 C ATOM 0 H THR A 33 -14.093 -3.409 1.758 1.00 0.00 H new ATOM 0 HA THR A 33 -13.600 -3.809 4.589 1.00 0.00 H new ATOM 0 HB THR A 33 -16.024 -4.143 4.715 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.270 -4.020 2.732 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.789 -1.961 3.845 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.208 -1.828 4.650 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.304 -1.832 2.873 1.00 0.00 H new ATOM 485 N GLY A 34 -12.901 -6.221 3.236 1.00 0.00 N ATOM 486 CA GLY A 34 -12.724 -7.660 3.161 1.00 0.00 C ATOM 487 C GLY A 34 -11.502 -8.057 2.351 1.00 0.00 C ATOM 488 O GLY A 34 -11.157 -7.381 1.381 1.00 0.00 O ATOM 0 H GLY A 34 -12.096 -5.673 2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.634 -8.064 4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.612 -8.109 2.716 1.00 0.00 H new ATOM 492 N PRO A 35 -10.825 -9.160 2.720 1.00 0.00 N ATOM 493 CA PRO A 35 -9.635 -9.635 2.004 1.00 0.00 C ATOM 494 C PRO A 35 -9.920 -9.894 0.529 1.00 0.00 C ATOM 495 O PRO A 35 -9.153 -9.485 -0.342 1.00 0.00 O ATOM 496 CB PRO A 35 -9.272 -10.946 2.715 1.00 0.00 C ATOM 497 CG PRO A 35 -10.493 -11.326 3.485 1.00 0.00 C ATOM 498 CD PRO A 35 -11.163 -10.035 3.854 1.00 0.00 C ATOM 0 HA PRO A 35 -8.833 -8.897 2.021 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.002 -11.721 1.998 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.416 -10.811 3.376 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.154 -11.952 2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.232 -11.899 4.375 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.241 -10.155 3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.787 -9.639 4.797 1.00 0.00 H new ATOM 506 N THR A 36 -11.033 -10.568 0.258 1.00 0.00 N ATOM 507 CA THR A 36 -11.427 -10.875 -1.112 1.00 0.00 C ATOM 508 C THR A 36 -11.634 -9.597 -1.917 1.00 0.00 C ATOM 509 O THR A 36 -11.296 -9.534 -3.099 1.00 0.00 O ATOM 510 CB THR A 36 -12.721 -11.710 -1.151 1.00 0.00 C ATOM 511 OG1 THR A 36 -13.786 -10.996 -0.515 1.00 0.00 O ATOM 512 CG2 THR A 36 -12.524 -13.051 -0.461 1.00 0.00 C ATOM 0 H THR A 36 -11.678 -10.912 0.969 1.00 0.00 H new ATOM 0 HA THR A 36 -10.618 -11.456 -1.555 1.00 0.00 H new ATOM 0 HB THR A 36 -12.976 -11.890 -2.195 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.605 -11.534 -0.546 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.452 -13.621 -0.502 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.734 -13.607 -0.965 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.245 -12.887 0.580 1.00 0.00 H new ATOM 520 N ASP A 37 -12.194 -8.583 -1.264 1.00 0.00 N ATOM 521 CA ASP A 37 -12.452 -7.301 -1.911 1.00 0.00 C ATOM 522 C ASP A 37 -11.164 -6.694 -2.459 1.00 0.00 C ATOM 523 O ASP A 37 -11.148 -6.156 -3.565 1.00 0.00 O ATOM 524 CB ASP A 37 -13.106 -6.332 -0.926 1.00 0.00 C ATOM 525 CG ASP A 37 -13.456 -5.004 -1.567 1.00 0.00 C ATOM 526 OD1 ASP A 37 -14.280 -4.997 -2.507 1.00 0.00 O ATOM 527 OD2 ASP A 37 -12.905 -3.971 -1.134 1.00 0.00 O ATOM 0 H ASP A 37 -12.478 -8.625 -0.285 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.131 -7.476 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.010 -6.786 -0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.431 -6.161 -0.087 1.00 0.00 H new ATOM 532 N LEU A 38 -10.090 -6.786 -1.678 1.00 0.00 N ATOM 533 CA LEU A 38 -8.791 -6.250 -2.082 1.00 0.00 C ATOM 534 C LEU A 38 -8.245 -7.036 -3.274 1.00 0.00 C ATOM 535 O LEU A 38 -7.347 -7.865 -3.126 1.00 0.00 O ATOM 536 CB LEU A 38 -7.808 -6.320 -0.907 1.00 0.00 C ATOM 537 CG LEU A 38 -6.698 -5.263 -0.906 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.800 -5.440 0.308 1.00 0.00 C ATOM 539 CD2 LEU A 38 -5.875 -5.328 -2.183 1.00 0.00 C ATOM 0 H LEU A 38 -10.093 -7.228 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.914 -5.208 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.372 -6.229 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.345 -7.307 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.169 -4.281 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.017 -4.682 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.392 -5.334 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.347 -6.431 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.096 -4.566 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.416 -6.313 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.522 -5.151 -3.042 1.00 0.00 H new ATOM 551 N ILE A 39 -8.808 -6.781 -4.450 1.00 0.00 N ATOM 552 CA ILE A 39 -8.400 -7.472 -5.665 1.00 0.00 C ATOM 553 C ILE A 39 -7.078 -6.942 -6.213 1.00 0.00 C ATOM 554 O ILE A 39 -6.240 -7.712 -6.683 1.00 0.00 O ATOM 555 CB ILE A 39 -9.480 -7.361 -6.762 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.785 -5.890 -7.063 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.742 -8.098 -6.335 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.779 -5.690 -8.188 1.00 0.00 C ATOM 0 H ILE A 39 -9.552 -6.097 -4.586 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.267 -8.518 -5.389 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.103 -7.825 -7.674 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.172 -5.417 -6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.856 -5.380 -7.317 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.496 -8.012 -7.117 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.510 -9.150 -6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.125 -7.660 -5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.944 -4.624 -8.342 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.386 -6.133 -9.103 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.723 -6.169 -7.929 1.00 0.00 H new ATOM 570 N GLY A 40 -6.903 -5.624 -6.170 1.00 0.00 N ATOM 571 CA GLY A 40 -5.686 -5.027 -6.688 1.00 0.00 C ATOM 572 C GLY A 40 -4.926 -4.216 -5.656 1.00 0.00 C ATOM 573 O GLY A 40 -5.523 -3.529 -4.827 1.00 0.00 O ATOM 0 H GLY A 40 -7.579 -4.962 -5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.037 -5.815 -7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.936 -4.384 -7.532 1.00 0.00 H new ATOM 577 N LEU A 41 -3.600 -4.293 -5.723 1.00 0.00 N ATOM 578 CA LEU A 41 -2.730 -3.560 -4.810 1.00 0.00 C ATOM 579 C LEU A 41 -1.418 -3.228 -5.512 1.00 0.00 C ATOM 580 O LEU A 41 -0.817 -4.090 -6.154 1.00 0.00 O ATOM 581 CB LEU A 41 -2.474 -4.386 -3.540 1.00 0.00 C ATOM 582 CG LEU A 41 -1.737 -3.665 -2.398 1.00 0.00 C ATOM 583 CD1 LEU A 41 -0.268 -3.449 -2.735 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.408 -2.336 -2.082 1.00 0.00 C ATOM 0 H LEU A 41 -3.101 -4.862 -6.407 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.217 -2.630 -4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.434 -4.737 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.898 -5.269 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.789 -4.303 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.224 -2.937 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.212 -4.413 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.187 -2.842 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.872 -1.841 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.393 -1.701 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.440 -2.512 -1.780 1.00 0.00 H new ATOM 596 N THR A 42 -0.978 -1.978 -5.396 1.00 0.00 N ATOM 597 CA THR A 42 0.262 -1.548 -6.033 1.00 0.00 C ATOM 598 C THR A 42 0.976 -0.477 -5.218 1.00 0.00 C ATOM 599 O THR A 42 0.391 0.550 -4.873 1.00 0.00 O ATOM 600 CB THR A 42 0.005 -0.986 -7.445 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.936 0.093 -7.378 1.00 0.00 O ATOM 602 CG2 THR A 42 -0.519 -2.062 -8.384 1.00 0.00 C ATOM 0 H THR A 42 -1.459 -1.249 -4.870 1.00 0.00 H new ATOM 0 HA THR A 42 0.891 -2.436 -6.097 1.00 0.00 H new ATOM 0 HB THR A 42 0.954 -0.623 -7.838 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.093 0.446 -8.278 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.690 -1.632 -9.371 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.213 -2.866 -8.460 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.456 -2.460 -7.995 1.00 0.00 H new ATOM 610 N ILE A 43 2.253 -0.715 -4.936 1.00 0.00 N ATOM 611 CA ILE A 43 3.062 0.238 -4.188 1.00 0.00 C ATOM 612 C ILE A 43 4.072 0.905 -5.114 1.00 0.00 C ATOM 613 O ILE A 43 4.846 0.226 -5.789 1.00 0.00 O ATOM 614 CB ILE A 43 3.811 -0.440 -3.024 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.812 -1.061 -2.042 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.710 0.564 -2.315 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.468 -1.796 -0.892 1.00 0.00 C ATOM 0 H ILE A 43 2.749 -1.561 -5.215 1.00 0.00 H new ATOM 0 HA ILE A 43 2.387 0.985 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 43 4.438 -1.235 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.172 -0.274 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.166 -1.753 -2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.232 0.070 -1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.438 0.962 -3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.104 1.379 -1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.700 -2.209 -0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.085 -2.605 -1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.092 -1.104 -0.326 1.00 0.00 H new ATOM 629 N CYS A 44 4.055 2.234 -5.149 1.00 0.00 N ATOM 630 CA CYS A 44 4.964 2.986 -6.006 1.00 0.00 C ATOM 631 C CYS A 44 4.842 2.518 -7.454 1.00 0.00 C ATOM 632 O CYS A 44 5.839 2.372 -8.159 1.00 0.00 O ATOM 633 CB CYS A 44 6.406 2.828 -5.521 1.00 0.00 C ATOM 634 SG CYS A 44 6.675 3.359 -3.813 1.00 0.00 S ATOM 0 H CYS A 44 3.423 2.811 -4.595 1.00 0.00 H new ATOM 0 HA CYS A 44 4.691 4.040 -5.956 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.697 1.782 -5.615 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.063 3.401 -6.176 1.00 0.00 H new ATOM 0 HG CYS A 44 7.950 3.385 -3.562 1.00 0.00 H new ATOM 640 N GLY A 45 3.605 2.279 -7.886 1.00 0.00 N ATOM 641 CA GLY A 45 3.358 1.825 -9.243 1.00 0.00 C ATOM 642 C GLY A 45 3.946 0.455 -9.519 1.00 0.00 C ATOM 643 O GLY A 45 4.388 0.174 -10.634 1.00 0.00 O ATOM 0 H GLY A 45 2.767 2.393 -7.316 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.283 1.797 -9.422 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.780 2.545 -9.945 1.00 0.00 H new ATOM 647 N HIS A 46 3.942 -0.405 -8.505 1.00 0.00 N ATOM 648 CA HIS A 46 4.468 -1.758 -8.645 1.00 0.00 C ATOM 649 C HIS A 46 3.477 -2.777 -8.093 1.00 0.00 C ATOM 650 O HIS A 46 2.963 -2.615 -6.987 1.00 0.00 O ATOM 651 CB HIS A 46 5.809 -1.888 -7.921 1.00 0.00 C ATOM 652 CG HIS A 46 6.434 -3.243 -8.058 1.00 0.00 C ATOM 653 ND1 HIS A 46 6.733 -4.180 -7.126 1.00 0.00 N flip ATOM 654 CD2 HIS A 46 6.827 -3.773 -9.270 1.00 0.00 C flip ATOM 655 CE1 HIS A 46 7.294 -5.245 -7.786 1.00 0.00 C flip ATOM 656 NE2 HIS A 46 7.340 -4.975 -9.077 1.00 0.00 N flip ATOM 0 H HIS A 46 3.580 -0.188 -7.576 1.00 0.00 H new ATOM 0 HA HIS A 46 4.620 -1.957 -9.706 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.497 -1.138 -8.311 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.664 -1.669 -6.863 1.00 0.00 H new ATOM 0 HD1 HIS A 46 6.571 -4.108 -6.121 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.730 -3.282 -10.227 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.642 -6.157 -7.323 1.00 0.00 H new ATOM 665 N ASN A 47 3.215 -3.826 -8.864 1.00 0.00 N ATOM 666 CA ASN A 47 2.285 -4.867 -8.441 1.00 0.00 C ATOM 667 C ASN A 47 2.801 -5.577 -7.192 1.00 0.00 C ATOM 668 O ASN A 47 3.958 -5.991 -7.138 1.00 0.00 O ATOM 669 CB ASN A 47 2.073 -5.880 -9.569 1.00 0.00 C ATOM 670 CG ASN A 47 1.078 -6.963 -9.198 1.00 0.00 C ATOM 671 OD1 ASN A 47 1.294 -7.728 -8.258 1.00 0.00 O ATOM 672 ND2 ASN A 47 -0.023 -7.032 -9.937 1.00 0.00 N ATOM 0 H ASN A 47 3.632 -3.978 -9.782 1.00 0.00 H new ATOM 0 HA ASN A 47 1.331 -4.396 -8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.722 -5.359 -10.460 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.028 -6.340 -9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.730 -7.739 -9.734 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.162 -6.378 -10.707 1.00 0.00 H new ATOM 679 N CYS A 48 1.932 -5.714 -6.193 1.00 0.00 N ATOM 680 CA CYS A 48 2.296 -6.376 -4.943 1.00 0.00 C ATOM 681 C CYS A 48 1.063 -6.956 -4.257 1.00 0.00 C ATOM 682 O CYS A 48 0.953 -6.926 -3.031 1.00 0.00 O ATOM 683 CB CYS A 48 2.990 -5.393 -3.994 1.00 0.00 C ATOM 684 SG CYS A 48 4.540 -4.710 -4.623 1.00 0.00 S ATOM 0 H CYS A 48 0.970 -5.375 -6.225 1.00 0.00 H new ATOM 0 HA CYS A 48 2.983 -7.187 -5.185 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.307 -4.571 -3.779 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.188 -5.899 -3.049 1.00 0.00 H new ATOM 0 HG CYS A 48 4.758 -5.161 -5.823 1.00 0.00 H new ATOM 690 N LEU A 49 0.138 -7.484 -5.052 1.00 0.00 N ATOM 691 CA LEU A 49 -1.086 -8.072 -4.517 1.00 0.00 C ATOM 692 C LEU A 49 -0.782 -9.409 -3.844 1.00 0.00 C ATOM 693 O LEU A 49 -1.258 -9.686 -2.743 1.00 0.00 O ATOM 694 CB LEU A 49 -2.117 -8.256 -5.641 1.00 0.00 C ATOM 695 CG LEU A 49 -3.569 -8.507 -5.197 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.720 -9.867 -4.535 1.00 0.00 C ATOM 697 CD2 LEU A 49 -4.041 -7.404 -4.261 1.00 0.00 C ATOM 0 H LEU A 49 0.212 -7.517 -6.069 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.503 -7.398 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.100 -7.366 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.800 -9.093 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.194 -8.499 -6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.757 -10.012 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.434 -10.648 -5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.077 -9.918 -3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.070 -7.599 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.402 -7.377 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.990 -6.444 -4.775 1.00 0.00 H new ATOM 709 N LEU A 50 0.014 -10.234 -4.521 1.00 0.00 N ATOM 710 CA LEU A 50 0.384 -11.548 -4.000 1.00 0.00 C ATOM 711 C LEU A 50 1.025 -11.433 -2.619 1.00 0.00 C ATOM 712 O LEU A 50 0.760 -12.247 -1.734 1.00 0.00 O ATOM 713 CB LEU A 50 1.339 -12.276 -4.958 1.00 0.00 C ATOM 714 CG LEU A 50 2.746 -11.677 -5.093 1.00 0.00 C ATOM 715 CD1 LEU A 50 3.662 -12.649 -5.820 1.00 0.00 C ATOM 716 CD2 LEU A 50 2.706 -10.345 -5.830 1.00 0.00 C ATOM 0 H LEU A 50 0.416 -10.015 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.533 -12.131 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.436 -13.310 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.880 -12.301 -5.946 1.00 0.00 H new ATOM 0 HG LEU A 50 3.136 -11.500 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.657 -12.213 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.723 -13.581 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.263 -12.851 -6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.716 -9.944 -5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.293 -10.494 -6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.080 -9.643 -5.279 1.00 0.00 H new ATOM 728 N THR A 51 1.867 -10.420 -2.440 1.00 0.00 N ATOM 729 CA THR A 51 2.543 -10.205 -1.165 1.00 0.00 C ATOM 730 C THR A 51 1.620 -9.514 -0.167 1.00 0.00 C ATOM 731 O THR A 51 1.645 -9.814 1.027 1.00 0.00 O ATOM 732 CB THR A 51 3.820 -9.359 -1.335 1.00 0.00 C ATOM 733 OG1 THR A 51 3.497 -8.093 -1.925 1.00 0.00 O ATOM 734 CG2 THR A 51 4.841 -10.082 -2.203 1.00 0.00 C ATOM 0 H THR A 51 2.097 -9.736 -3.161 1.00 0.00 H new ATOM 0 HA THR A 51 2.819 -11.189 -0.786 1.00 0.00 H new ATOM 0 HB THR A 51 4.254 -9.200 -0.348 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.314 -7.562 -2.028 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.733 -9.464 -2.307 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.109 -11.030 -1.736 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.413 -10.271 -3.188 1.00 0.00 H new ATOM 742 N ALA A 52 0.808 -8.586 -0.664 1.00 0.00 N ATOM 743 CA ALA A 52 -0.122 -7.846 0.182 1.00 0.00 C ATOM 744 C ALA A 52 -1.084 -8.784 0.902 1.00 0.00 C ATOM 745 O ALA A 52 -1.651 -9.695 0.297 1.00 0.00 O ATOM 746 CB ALA A 52 -0.896 -6.830 -0.646 1.00 0.00 C ATOM 0 H ALA A 52 0.775 -8.328 -1.650 1.00 0.00 H new ATOM 0 HA ALA A 52 0.460 -7.318 0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.586 -6.285 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.199 -6.129 -1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.458 -7.347 -1.424 1.00 0.00 H new ATOM 752 N GLU A 53 -1.264 -8.553 2.199 1.00 0.00 N ATOM 753 CA GLU A 53 -2.160 -9.372 3.008 1.00 0.00 C ATOM 754 C GLU A 53 -3.167 -8.499 3.752 1.00 0.00 C ATOM 755 O GLU A 53 -2.798 -7.506 4.379 1.00 0.00 O ATOM 756 CB GLU A 53 -1.356 -10.209 4.005 1.00 0.00 C ATOM 757 CG GLU A 53 -2.212 -11.136 4.854 1.00 0.00 C ATOM 758 CD GLU A 53 -2.975 -12.150 4.022 1.00 0.00 C ATOM 759 OE1 GLU A 53 -2.324 -12.947 3.315 1.00 0.00 O ATOM 760 OE2 GLU A 53 -4.223 -12.147 4.080 1.00 0.00 O ATOM 0 H GLU A 53 -0.800 -7.804 2.713 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.707 -10.040 2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.623 -10.804 3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.799 -9.540 4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.576 -11.661 5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.918 -10.542 5.434 1.00 0.00 H new ATOM 767 N TRP A 54 -4.438 -8.879 3.677 1.00 0.00 N ATOM 768 CA TRP A 54 -5.505 -8.136 4.341 1.00 0.00 C ATOM 769 C TRP A 54 -5.415 -8.289 5.858 1.00 0.00 C ATOM 770 O TRP A 54 -4.934 -9.306 6.360 1.00 0.00 O ATOM 771 CB TRP A 54 -6.870 -8.622 3.854 1.00 0.00 C ATOM 772 CG TRP A 54 -8.012 -7.794 4.360 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.509 -6.653 3.797 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.784 -8.030 5.542 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.556 -6.175 4.549 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.742 -7.002 5.626 1.00 0.00 C ATOM 777 CE3 TRP A 54 -8.764 -9.014 6.534 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.669 -6.930 6.661 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -9.682 -8.940 7.563 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.624 -7.905 7.621 1.00 0.00 C ATOM 0 H TRP A 54 -4.756 -9.700 3.161 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.388 -7.082 4.091 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.882 -8.616 2.764 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.013 -9.656 4.169 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.135 -6.194 2.894 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.105 -5.341 4.340 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.044 -9.818 6.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.398 -6.134 6.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.673 -9.693 8.337 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.329 -7.876 8.439 1.00 0.00 H new ATOM 791 N MET A 55 -5.890 -7.277 6.581 1.00 0.00 N ATOM 792 CA MET A 55 -5.872 -7.301 8.041 1.00 0.00 C ATOM 793 C MET A 55 -7.138 -6.668 8.615 1.00 0.00 C ATOM 794 O MET A 55 -7.750 -7.210 9.533 1.00 0.00 O ATOM 795 CB MET A 55 -4.638 -6.576 8.580 1.00 0.00 C ATOM 796 CG MET A 55 -3.330 -7.287 8.271 1.00 0.00 C ATOM 797 SD MET A 55 -3.273 -8.956 8.953 1.00 0.00 S ATOM 798 CE MET A 55 -1.629 -9.471 8.467 1.00 0.00 C ATOM 0 H MET A 55 -6.292 -6.430 6.179 1.00 0.00 H new ATOM 0 HA MET A 55 -5.832 -8.344 8.354 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.604 -5.572 8.158 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.735 -6.465 9.660 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.192 -7.335 7.191 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.500 -6.705 8.673 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.611 -10.553 8.335 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.359 -8.987 7.529 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.915 -9.187 9.241 1.00 0.00 H new ATOM 808 N SER A 56 -7.528 -5.522 8.064 1.00 0.00 N ATOM 809 CA SER A 56 -8.725 -4.825 8.519 1.00 0.00 C ATOM 810 C SER A 56 -9.172 -3.794 7.488 1.00 0.00 C ATOM 811 O SER A 56 -8.726 -3.821 6.341 1.00 0.00 O ATOM 812 CB SER A 56 -8.463 -4.142 9.865 1.00 0.00 C ATOM 813 OG SER A 56 -7.409 -3.199 9.765 1.00 0.00 O ATOM 0 H SER A 56 -7.033 -5.058 7.303 1.00 0.00 H new ATOM 0 HA SER A 56 -9.521 -5.559 8.644 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.370 -3.643 10.205 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.213 -4.893 10.614 1.00 0.00 H new ATOM 0 HG SER A 56 -7.264 -2.777 10.637 1.00 0.00 H new ATOM 819 N ALA A 57 -10.050 -2.887 7.902 1.00 0.00 N ATOM 820 CA ALA A 57 -10.551 -1.850 7.008 1.00 0.00 C ATOM 821 C ALA A 57 -9.575 -0.680 6.922 1.00 0.00 C ATOM 822 O ALA A 57 -9.988 0.476 6.819 1.00 0.00 O ATOM 823 CB ALA A 57 -11.919 -1.369 7.471 1.00 0.00 C ATOM 0 H ALA A 57 -10.429 -2.849 8.848 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.649 -2.280 6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.281 -0.595 6.794 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.618 -2.206 7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.839 -0.962 8.479 1.00 0.00 H new ATOM 829 N SER A 58 -8.278 -0.986 6.963 1.00 0.00 N ATOM 830 CA SER A 58 -7.243 0.042 6.889 1.00 0.00 C ATOM 831 C SER A 58 -5.847 -0.571 6.931 1.00 0.00 C ATOM 832 O SER A 58 -4.959 -0.167 6.182 1.00 0.00 O ATOM 833 CB SER A 58 -7.399 1.040 8.039 1.00 0.00 C ATOM 834 OG SER A 58 -7.282 0.393 9.295 1.00 0.00 O ATOM 0 H SER A 58 -7.921 -1.938 7.047 1.00 0.00 H new ATOM 0 HA SER A 58 -7.363 0.562 5.939 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.640 1.818 7.955 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.369 1.532 7.969 1.00 0.00 H new ATOM 0 HG SER A 58 -7.384 1.052 10.013 1.00 0.00 H new ATOM 840 N LYS A 59 -5.653 -1.542 7.820 1.00 0.00 N ATOM 841 CA LYS A 59 -4.358 -2.196 7.962 1.00 0.00 C ATOM 842 C LYS A 59 -4.120 -3.211 6.850 1.00 0.00 C ATOM 843 O LYS A 59 -4.990 -4.028 6.545 1.00 0.00 O ATOM 844 CB LYS A 59 -4.252 -2.886 9.322 1.00 0.00 C ATOM 845 CG LYS A 59 -2.920 -3.588 9.540 1.00 0.00 C ATOM 846 CD LYS A 59 -2.853 -4.258 10.902 1.00 0.00 C ATOM 847 CE LYS A 59 -2.899 -3.241 12.032 1.00 0.00 C ATOM 848 NZ LYS A 59 -2.804 -3.890 13.368 1.00 0.00 N ATOM 0 H LYS A 59 -6.375 -1.891 8.450 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.592 -1.424 7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.398 -2.146 10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.058 -3.614 9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.770 -4.334 8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.109 -2.865 9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.684 -4.955 11.006 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.936 -4.842 10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.081 -2.531 11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.826 -2.672 11.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.839 -3.163 14.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.599 -4.549 13.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.907 -4.412 13.437 1.00 0.00 H new ATOM 862 N ILE A 60 -2.930 -3.160 6.258 1.00 0.00 N ATOM 863 CA ILE A 60 -2.557 -4.077 5.185 1.00 0.00 C ATOM 864 C ILE A 60 -1.047 -4.300 5.177 1.00 0.00 C ATOM 865 O ILE A 60 -0.279 -3.389 4.868 1.00 0.00 O ATOM 866 CB ILE A 60 -2.983 -3.543 3.799 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.497 -3.316 3.748 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.551 -4.509 2.703 1.00 0.00 C ATOM 869 CD1 ILE A 60 -4.985 -2.735 2.437 1.00 0.00 C ATOM 0 H ILE A 60 -2.203 -2.489 6.505 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.077 -5.016 5.375 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.489 -2.586 3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.003 -4.265 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.782 -2.647 4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.858 -4.119 1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.467 -4.620 2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.018 -5.480 2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.066 -2.603 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.508 -1.770 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.733 -3.413 1.622 1.00 0.00 H new ATOM 881 N VAL A 61 -0.630 -5.515 5.517 1.00 0.00 N ATOM 882 CA VAL A 61 0.788 -5.852 5.547 1.00 0.00 C ATOM 883 C VAL A 61 1.307 -6.152 4.145 1.00 0.00 C ATOM 884 O VAL A 61 0.756 -6.996 3.439 1.00 0.00 O ATOM 885 CB VAL A 61 1.055 -7.066 6.458 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.542 -7.381 6.511 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.503 -6.815 7.852 1.00 0.00 C ATOM 0 H VAL A 61 -1.252 -6.281 5.775 1.00 0.00 H new ATOM 0 HA VAL A 61 1.315 -4.986 5.948 1.00 0.00 H new ATOM 0 HB VAL A 61 0.542 -7.932 6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.709 -8.241 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.902 -7.608 5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.083 -6.520 6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.700 -7.682 8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.985 -5.937 8.281 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.572 -6.646 7.793 1.00 0.00 H new ATOM 897 N CYS A 62 2.369 -5.458 3.746 1.00 0.00 N ATOM 898 CA CYS A 62 2.956 -5.657 2.424 1.00 0.00 C ATOM 899 C CYS A 62 4.284 -4.918 2.296 1.00 0.00 C ATOM 900 O CYS A 62 4.384 -3.737 2.629 1.00 0.00 O ATOM 901 CB CYS A 62 1.989 -5.177 1.340 1.00 0.00 C ATOM 902 SG CYS A 62 1.598 -3.414 1.427 1.00 0.00 S ATOM 0 H CYS A 62 2.839 -4.755 4.316 1.00 0.00 H new ATOM 0 HA CYS A 62 3.142 -6.723 2.295 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.419 -5.395 0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.063 -5.748 1.415 1.00 0.00 H new ATOM 0 HG CYS A 62 2.600 -2.773 1.951 1.00 0.00 H new ATOM 908 N ARG A 63 5.300 -5.620 1.804 1.00 0.00 N ATOM 909 CA ARG A 63 6.622 -5.030 1.619 1.00 0.00 C ATOM 910 C ARG A 63 6.733 -4.364 0.251 1.00 0.00 C ATOM 911 O ARG A 63 6.236 -4.890 -0.745 1.00 0.00 O ATOM 912 CB ARG A 63 7.708 -6.098 1.773 1.00 0.00 C ATOM 913 CG ARG A 63 7.562 -7.260 0.803 1.00 0.00 C ATOM 914 CD ARG A 63 8.663 -8.290 0.996 1.00 0.00 C ATOM 915 NE ARG A 63 8.659 -8.849 2.345 1.00 0.00 N ATOM 916 CZ ARG A 63 9.519 -9.772 2.764 1.00 0.00 C ATOM 917 NH1 ARG A 63 10.450 -10.239 1.944 1.00 0.00 N ATOM 918 NH2 ARG A 63 9.447 -10.228 4.008 1.00 0.00 N ATOM 0 H ARG A 63 5.233 -6.599 1.526 1.00 0.00 H new ATOM 0 HA ARG A 63 6.764 -4.268 2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.684 -5.635 1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.686 -6.482 2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.591 -7.734 0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.588 -6.886 -0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.539 -9.094 0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.630 -7.828 0.798 1.00 0.00 H new ATOM 0 HE ARG A 63 7.956 -8.512 3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.509 -9.890 0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.108 -10.947 2.270 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.732 -9.870 4.642 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.106 -10.936 4.331 1.00 0.00 H new ATOM 932 N VAL A 64 7.391 -3.208 0.206 1.00 0.00 N ATOM 933 CA VAL A 64 7.567 -2.479 -1.045 1.00 0.00 C ATOM 934 C VAL A 64 8.483 -3.256 -1.999 1.00 0.00 C ATOM 935 O VAL A 64 8.480 -4.487 -1.993 1.00 0.00 O ATOM 936 CB VAL A 64 8.128 -1.061 -0.788 1.00 0.00 C ATOM 937 CG1 VAL A 64 7.143 -0.246 0.038 1.00 0.00 C ATOM 938 CG2 VAL A 64 9.477 -1.129 -0.090 1.00 0.00 C ATOM 0 H VAL A 64 7.810 -2.758 1.020 1.00 0.00 H new ATOM 0 HA VAL A 64 6.588 -2.375 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 64 8.269 -0.570 -1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.550 0.750 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.198 -0.163 -0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.974 -0.741 0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.850 -0.119 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.366 -1.640 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.183 -1.677 -0.715 1.00 0.00 H new ATOM 1052 N GLY A 72 5.999 7.862 -4.866 1.00 0.00 N ATOM 1053 CA GLY A 72 5.904 6.758 -3.930 1.00 0.00 C ATOM 1054 C GLY A 72 4.551 6.693 -3.252 1.00 0.00 C ATOM 1055 O GLY A 72 4.455 6.367 -2.069 1.00 0.00 O ATOM 0 HA2 GLY A 72 6.089 5.822 -4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.682 6.858 -3.174 1.00 0.00 H new ATOM 1059 N ASP A 73 3.501 7.000 -4.010 1.00 0.00 N ATOM 1060 CA ASP A 73 2.141 6.972 -3.484 1.00 0.00 C ATOM 1061 C ASP A 73 1.654 5.536 -3.316 1.00 0.00 C ATOM 1062 O ASP A 73 1.853 4.696 -4.195 1.00 0.00 O ATOM 1063 CB ASP A 73 1.197 7.742 -4.407 1.00 0.00 C ATOM 1064 CG ASP A 73 1.582 9.203 -4.539 1.00 0.00 C ATOM 1065 OD1 ASP A 73 1.596 9.908 -3.507 1.00 0.00 O ATOM 1066 OD2 ASP A 73 1.871 9.641 -5.672 1.00 0.00 O ATOM 0 H ASP A 73 3.567 7.271 -4.991 1.00 0.00 H new ATOM 0 HA ASP A 73 2.146 7.451 -2.505 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.199 7.278 -5.393 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.179 7.670 -4.023 1.00 0.00 H new ATOM 1071 N ILE A 74 1.016 5.260 -2.182 1.00 0.00 N ATOM 1072 CA ILE A 74 0.500 3.928 -1.898 1.00 0.00 C ATOM 1073 C ILE A 74 -0.893 3.737 -2.495 1.00 0.00 C ATOM 1074 O ILE A 74 -1.900 4.059 -1.862 1.00 0.00 O ATOM 1075 CB ILE A 74 0.443 3.671 -0.378 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.825 3.888 0.243 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.063 2.263 -0.094 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.840 3.773 1.752 1.00 0.00 C ATOM 0 H ILE A 74 0.845 5.944 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 74 1.183 3.213 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.254 4.378 0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.520 3.159 -0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.190 4.875 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.097 2.099 0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.063 2.145 -0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.608 1.536 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.853 3.939 2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.172 4.520 2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.506 2.777 2.044 1.00 0.00 H new ATOM 1090 N ILE A 75 -0.943 3.209 -3.714 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.211 2.970 -4.396 1.00 0.00 C ATOM 1092 C ILE A 75 -2.790 1.608 -4.022 1.00 0.00 C ATOM 1093 O ILE A 75 -2.064 0.620 -3.918 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.058 3.059 -5.936 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.856 4.511 -6.380 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.271 2.458 -6.637 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -0.567 5.134 -5.888 1.00 0.00 C ATOM 0 H ILE A 75 -0.119 2.938 -4.251 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.896 3.752 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.176 2.485 -6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.875 4.553 -7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.695 5.109 -6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.141 2.532 -7.717 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.372 1.410 -6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.168 3.002 -6.342 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.500 6.162 -6.245 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.552 5.127 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.281 4.562 -6.266 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.105 1.564 -3.830 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.788 0.324 -3.479 1.00 0.00 C ATOM 1111 C VAL A 76 -6.136 0.227 -4.190 1.00 0.00 C ATOM 1112 O VAL A 76 -6.967 1.131 -4.100 1.00 0.00 O ATOM 1113 CB VAL A 76 -4.993 0.204 -1.954 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -5.769 1.396 -1.424 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -5.698 -1.098 -1.607 1.00 0.00 C ATOM 0 H VAL A 76 -4.719 2.374 -3.912 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.153 -0.499 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.013 0.196 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.903 1.293 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.217 2.312 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.744 1.440 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.832 -1.162 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.672 -1.126 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.096 -1.940 -1.948 1.00 0.00 H new ATOM 1125 N THR A 77 -6.338 -0.872 -4.911 1.00 0.00 N ATOM 1126 CA THR A 77 -7.575 -1.092 -5.651 1.00 0.00 C ATOM 1127 C THR A 77 -8.557 -1.942 -4.853 1.00 0.00 C ATOM 1128 O THR A 77 -8.157 -2.858 -4.134 1.00 0.00 O ATOM 1129 CB THR A 77 -7.303 -1.777 -7.006 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.355 -1.012 -7.760 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.587 -1.926 -7.808 1.00 0.00 C ATOM 0 H THR A 77 -5.657 -1.627 -4.998 1.00 0.00 H new ATOM 0 HA THR A 77 -8.014 -0.110 -5.827 1.00 0.00 H new ATOM 0 HB THR A 77 -6.898 -2.770 -6.809 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.186 -1.454 -8.618 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.368 -2.412 -8.759 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.298 -2.532 -7.247 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.016 -0.941 -7.994 1.00 0.00 H new ATOM 1139 N THR A 78 -9.844 -1.637 -4.988 1.00 0.00 N ATOM 1140 CA THR A 78 -10.885 -2.376 -4.286 1.00 0.00 C ATOM 1141 C THR A 78 -11.942 -2.883 -5.260 1.00 0.00 C ATOM 1142 O THR A 78 -12.306 -2.190 -6.212 1.00 0.00 O ATOM 1143 CB THR A 78 -11.564 -1.514 -3.206 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.141 -0.345 -3.801 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.564 -1.104 -2.135 1.00 0.00 C ATOM 0 H THR A 78 -10.190 -0.881 -5.579 1.00 0.00 H new ATOM 0 HA THR A 78 -10.400 -3.224 -3.802 1.00 0.00 H new ATOM 0 HB THR A 78 -12.350 -2.108 -2.739 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.572 0.196 -3.107 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.066 -0.496 -1.382 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.150 -1.995 -1.664 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.759 -0.527 -2.590 1.00 0.00 H new ATOM 1153 N LYS A 79 -12.425 -4.099 -5.024 1.00 0.00 N ATOM 1154 CA LYS A 79 -13.435 -4.705 -5.886 1.00 0.00 C ATOM 1155 C LYS A 79 -14.675 -3.821 -5.976 1.00 0.00 C ATOM 1156 O LYS A 79 -15.169 -3.538 -7.068 1.00 0.00 O ATOM 1157 CB LYS A 79 -13.814 -6.092 -5.362 1.00 0.00 C ATOM 1158 CG LYS A 79 -14.773 -6.845 -6.270 1.00 0.00 C ATOM 1159 CD LYS A 79 -14.147 -7.127 -7.626 1.00 0.00 C ATOM 1160 CE LYS A 79 -15.123 -7.828 -8.556 1.00 0.00 C ATOM 1161 NZ LYS A 79 -15.597 -9.122 -7.993 1.00 0.00 N ATOM 0 H LYS A 79 -12.133 -4.685 -4.242 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.013 -4.806 -6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -12.907 -6.683 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.267 -5.987 -4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.061 -7.784 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -15.684 -6.262 -6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.820 -6.191 -8.079 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.259 -7.745 -7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.978 -7.178 -8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.643 -8.005 -9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.108 -9.653 -8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.781 -9.679 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -16.234 -8.939 -7.191 1.00 0.00 H new ATOM 1175 N SER A 80 -15.168 -3.382 -4.822 1.00 0.00 N ATOM 1176 CA SER A 80 -16.346 -2.524 -4.774 1.00 0.00 C ATOM 1177 C SER A 80 -16.036 -1.155 -5.374 1.00 0.00 C ATOM 1178 O SER A 80 -16.705 -0.706 -6.303 1.00 0.00 O ATOM 1179 CB SER A 80 -16.829 -2.368 -3.330 1.00 0.00 C ATOM 1180 OG SER A 80 -17.965 -1.524 -3.255 1.00 0.00 O ATOM 0 H SER A 80 -14.771 -3.606 -3.910 1.00 0.00 H new ATOM 0 HA SER A 80 -17.136 -2.990 -5.362 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.073 -3.347 -2.918 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.026 -1.956 -2.718 1.00 0.00 H new ATOM 0 HG SER A 80 -18.252 -1.444 -2.321 1.00 0.00 H new ATOM 1186 N GLY A 81 -15.006 -0.506 -4.840 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.608 0.799 -5.334 1.00 0.00 C ATOM 1188 C GLY A 81 -13.752 0.702 -6.582 1.00 0.00 C ATOM 1189 O GLY A 81 -14.150 0.085 -7.570 1.00 0.00 O ATOM 0 H GLY A 81 -14.438 -0.862 -4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.498 1.390 -5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.056 1.327 -4.557 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.570 1.306 -6.530 1.00 0.00 N ATOM 1194 CA GLY A 82 -11.664 1.271 -7.663 1.00 0.00 C ATOM 1195 C GLY A 82 -10.280 1.772 -7.302 1.00 0.00 C ATOM 1196 O GLY A 82 -9.799 1.528 -6.195 1.00 0.00 O ATOM 0 H GLY A 82 -12.222 1.821 -5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.593 0.250 -8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.070 1.880 -8.470 1.00 0.00 H new ATOM 1200 N LYS A 83 -9.639 2.476 -8.228 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.306 3.010 -7.982 1.00 0.00 C ATOM 1202 C LYS A 83 -8.367 4.169 -6.993 1.00 0.00 C ATOM 1203 O LYS A 83 -8.991 5.195 -7.265 1.00 0.00 O ATOM 1204 CB LYS A 83 -7.668 3.476 -9.292 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.267 4.040 -9.119 1.00 0.00 C ATOM 1206 CD LYS A 83 -5.682 4.501 -10.445 1.00 0.00 C ATOM 1207 CE LYS A 83 -4.285 5.076 -10.265 1.00 0.00 C ATOM 1208 NZ LYS A 83 -3.698 5.528 -11.556 1.00 0.00 N ATOM 0 H LYS A 83 -10.018 2.689 -9.150 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.694 2.216 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.630 2.637 -9.987 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.303 4.237 -9.746 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.295 4.878 -8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.620 3.281 -8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.645 3.662 -11.140 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.333 5.254 -10.889 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.325 5.916 -9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.638 4.322 -9.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.746 5.913 -11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.635 4.722 -12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.301 6.266 -11.972 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.714 4.003 -5.847 1.00 0.00 N ATOM 1223 CA GLY A 84 -7.711 5.050 -4.843 1.00 0.00 C ATOM 1224 C GLY A 84 -6.526 5.987 -4.984 1.00 0.00 C ATOM 1225 O GLY A 84 -6.020 6.195 -6.086 1.00 0.00 O ATOM 0 H GLY A 84 -7.189 3.165 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.635 5.624 -4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.697 4.598 -3.851 1.00 0.00 H new ATOM 1229 N THR A 85 -6.081 6.541 -3.858 1.00 0.00 N ATOM 1230 CA THR A 85 -4.943 7.458 -3.837 1.00 0.00 C ATOM 1231 C THR A 85 -4.279 7.456 -2.463 1.00 0.00 C ATOM 1232 O THR A 85 -4.587 6.615 -1.618 1.00 0.00 O ATOM 1233 CB THR A 85 -5.364 8.906 -4.173 1.00 0.00 C ATOM 1234 OG1 THR A 85 -6.393 9.338 -3.275 1.00 0.00 O ATOM 1235 CG2 THR A 85 -5.855 9.027 -5.608 1.00 0.00 C ATOM 0 H THR A 85 -6.495 6.369 -2.942 1.00 0.00 H new ATOM 0 HA THR A 85 -4.244 7.108 -4.596 1.00 0.00 H new ATOM 0 HB THR A 85 -4.486 9.542 -4.060 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.653 10.257 -3.493 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.142 10.059 -5.808 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.058 8.733 -6.291 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.717 8.376 -5.754 1.00 0.00 H new ATOM 1243 N SER A 86 -3.374 8.406 -2.243 1.00 0.00 N ATOM 1244 CA SER A 86 -2.675 8.514 -0.966 1.00 0.00 C ATOM 1245 C SER A 86 -1.866 9.801 -0.885 1.00 0.00 C ATOM 1246 O SER A 86 -1.060 10.098 -1.767 1.00 0.00 O ATOM 1247 CB SER A 86 -1.750 7.316 -0.754 1.00 0.00 C ATOM 1248 OG SER A 86 -0.848 7.170 -1.836 1.00 0.00 O ATOM 0 H SER A 86 -3.108 9.111 -2.931 1.00 0.00 H new ATOM 0 HA SER A 86 -3.431 8.528 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.192 7.443 0.174 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.344 6.408 -0.647 1.00 0.00 H new ATOM 0 HG SER A 86 -0.498 8.049 -2.091 1.00 0.00 H new ATOM 1254 N THR A 87 -2.073 10.549 0.191 1.00 0.00 N ATOM 1255 CA THR A 87 -1.351 11.793 0.406 1.00 0.00 C ATOM 1256 C THR A 87 0.073 11.507 0.866 1.00 0.00 C ATOM 1257 O THR A 87 1.008 12.236 0.531 1.00 0.00 O ATOM 1258 CB THR A 87 -2.053 12.679 1.452 1.00 0.00 C ATOM 1259 OG1 THR A 87 -2.130 11.989 2.707 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.451 13.058 0.989 1.00 0.00 C ATOM 0 H THR A 87 -2.737 10.314 0.929 1.00 0.00 H new ATOM 0 HA THR A 87 -1.331 12.327 -0.544 1.00 0.00 H new ATOM 0 HB THR A 87 -1.469 13.591 1.575 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.576 12.560 3.367 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.927 13.684 1.744 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.387 13.608 0.050 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.043 12.155 0.841 1.00 0.00 H new ATOM 1268 N VAL A 88 0.225 10.434 1.638 1.00 0.00 N ATOM 1269 CA VAL A 88 1.529 10.033 2.156 1.00 0.00 C ATOM 1270 C VAL A 88 2.293 9.186 1.142 1.00 0.00 C ATOM 1271 O VAL A 88 1.698 8.416 0.387 1.00 0.00 O ATOM 1272 CB VAL A 88 1.392 9.244 3.474 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.744 10.104 4.547 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.593 7.968 3.255 1.00 0.00 C ATOM 0 H VAL A 88 -0.543 9.825 1.919 1.00 0.00 H new ATOM 0 HA VAL A 88 2.087 10.950 2.347 1.00 0.00 H new ATOM 0 HB VAL A 88 2.391 8.968 3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.656 9.530 5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.358 10.986 4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.247 10.413 4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.508 7.426 4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.403 8.220 2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.101 7.342 2.521 1.00 0.00 H new ATOM 1284 N SER A 89 3.615 9.331 1.134 1.00 0.00 N ATOM 1285 CA SER A 89 4.464 8.577 0.215 1.00 0.00 C ATOM 1286 C SER A 89 5.679 8.011 0.944 1.00 0.00 C ATOM 1287 O SER A 89 6.323 8.705 1.730 1.00 0.00 O ATOM 1288 CB SER A 89 4.916 9.465 -0.944 1.00 0.00 C ATOM 1289 OG SER A 89 3.805 9.974 -1.660 1.00 0.00 O ATOM 0 H SER A 89 4.122 9.963 1.753 1.00 0.00 H new ATOM 0 HA SER A 89 3.880 7.747 -0.183 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.515 10.291 -0.561 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.555 8.893 -1.617 1.00 0.00 H new ATOM 0 HG SER A 89 3.401 9.256 -2.190 1.00 0.00 H new ATOM 1295 N PHE A 90 5.977 6.741 0.685 1.00 0.00 N ATOM 1296 CA PHE A 90 7.108 6.073 1.324 1.00 0.00 C ATOM 1297 C PHE A 90 8.393 6.244 0.517 1.00 0.00 C ATOM 1298 O PHE A 90 8.393 6.108 -0.707 1.00 0.00 O ATOM 1299 CB PHE A 90 6.808 4.583 1.503 1.00 0.00 C ATOM 1300 CG PHE A 90 7.924 3.824 2.166 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.309 4.124 3.464 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.586 2.810 1.492 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.335 3.428 4.074 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.613 2.112 2.098 1.00 0.00 C ATOM 1305 CZ PHE A 90 9.988 2.421 3.392 1.00 0.00 C ATOM 0 H PHE A 90 5.452 6.153 0.037 1.00 0.00 H new ATOM 0 HA PHE A 90 7.256 6.537 2.299 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.900 4.472 2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.607 4.141 0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.802 4.910 4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.296 2.563 0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.626 3.672 5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.122 1.326 1.561 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.790 1.876 3.868 1.00 0.00 H new ATOM 1315 N LYS A 91 9.489 6.529 1.216 1.00 0.00 N ATOM 1316 CA LYS A 91 10.788 6.702 0.573 1.00 0.00 C ATOM 1317 C LYS A 91 11.650 5.456 0.768 1.00 0.00 C ATOM 1318 O LYS A 91 11.896 5.034 1.899 1.00 0.00 O ATOM 1319 CB LYS A 91 11.504 7.929 1.142 1.00 0.00 C ATOM 1320 CG LYS A 91 12.880 8.165 0.540 1.00 0.00 C ATOM 1321 CD LYS A 91 13.554 9.386 1.149 1.00 0.00 C ATOM 1322 CE LYS A 91 14.937 9.609 0.559 1.00 0.00 C ATOM 1323 NZ LYS A 91 14.886 9.828 -0.913 1.00 0.00 N ATOM 0 H LYS A 91 9.503 6.645 2.229 1.00 0.00 H new ATOM 0 HA LYS A 91 10.626 6.852 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.886 8.811 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.604 7.813 2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.504 7.286 0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.789 8.298 -0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.937 10.268 0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.634 9.259 2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.401 10.471 1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.567 8.746 0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.809 10.174 -1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.661 8.932 -1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.152 10.531 -1.134 1.00 0.00 H new ATOM 1337 N LEU A 92 12.102 4.869 -0.336 1.00 0.00 N ATOM 1338 CA LEU A 92 12.933 3.669 -0.279 1.00 0.00 C ATOM 1339 C LEU A 92 14.405 4.020 -0.094 1.00 0.00 C ATOM 1340 O LEU A 92 14.943 4.882 -0.791 1.00 0.00 O ATOM 1341 CB LEU A 92 12.752 2.826 -1.547 1.00 0.00 C ATOM 1342 CG LEU A 92 11.380 2.160 -1.708 1.00 0.00 C ATOM 1343 CD1 LEU A 92 10.285 3.203 -1.889 1.00 0.00 C ATOM 1344 CD2 LEU A 92 11.395 1.193 -2.882 1.00 0.00 C ATOM 0 H LEU A 92 11.908 5.203 -1.280 1.00 0.00 H new ATOM 0 HA LEU A 92 12.610 3.087 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.931 3.462 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.517 2.049 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 92 11.165 1.600 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.322 2.704 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.256 3.856 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.492 3.797 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.414 0.728 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.636 1.735 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.146 0.422 -2.709 1.00 0.00 H new ATOM 1356 N LEU A 93 15.050 3.345 0.853 1.00 0.00 N ATOM 1357 CA LEU A 93 16.463 3.575 1.139 1.00 0.00 C ATOM 1358 C LEU A 93 17.352 2.655 0.308 1.00 0.00 C ATOM 1359 O LEU A 93 17.059 1.469 0.153 1.00 0.00 O ATOM 1360 CB LEU A 93 16.747 3.363 2.629 1.00 0.00 C ATOM 1361 CG LEU A 93 15.962 4.271 3.578 1.00 0.00 C ATOM 1362 CD1 LEU A 93 16.332 3.978 5.024 1.00 0.00 C ATOM 1363 CD2 LEU A 93 16.216 5.735 3.245 1.00 0.00 C ATOM 0 H LEU A 93 14.615 2.631 1.438 1.00 0.00 H new ATOM 0 HA LEU A 93 16.692 4.607 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 93 16.527 2.325 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.812 3.515 2.805 1.00 0.00 H new ATOM 0 HG LEU A 93 14.899 4.069 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.764 4.633 5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 93 16.099 2.939 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.398 4.152 5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.650 6.367 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.279 5.952 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.900 5.935 2.221 1.00 0.00 H new ATOM 1375 N LYS A 94 18.443 3.204 -0.216 1.00 0.00 N ATOM 1376 CA LYS A 94 19.380 2.427 -1.020 1.00 0.00 C ATOM 1377 C LYS A 94 20.089 1.388 -0.154 1.00 0.00 C ATOM 1378 O LYS A 94 20.530 1.695 0.954 1.00 0.00 O ATOM 1379 CB LYS A 94 20.416 3.340 -1.680 1.00 0.00 C ATOM 1380 CG LYS A 94 19.819 4.358 -2.639 1.00 0.00 C ATOM 1381 CD LYS A 94 20.900 5.191 -3.315 1.00 0.00 C ATOM 1382 CE LYS A 94 21.680 6.028 -2.312 1.00 0.00 C ATOM 1383 NZ LYS A 94 20.808 7.009 -1.608 1.00 0.00 N ATOM 0 H LYS A 94 18.700 4.184 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 94 18.814 1.918 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.968 3.868 -0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 94 21.136 2.725 -2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.229 3.843 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.139 5.014 -2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.585 4.533 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.443 5.846 -4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.152 5.372 -1.581 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.481 6.559 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 21.400 7.700 -1.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.212 7.504 -2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 20.203 6.509 -0.926 1.00 0.00 H new ATOM 1397 N PRO A 95 20.211 0.143 -0.644 1.00 0.00 N ATOM 1398 CA PRO A 95 20.875 -0.934 0.101 1.00 0.00 C ATOM 1399 C PRO A 95 22.309 -0.576 0.473 1.00 0.00 C ATOM 1400 O PRO A 95 23.098 -0.172 -0.380 1.00 0.00 O ATOM 1401 CB PRO A 95 20.866 -2.110 -0.879 1.00 0.00 C ATOM 1402 CG PRO A 95 19.757 -1.813 -1.828 1.00 0.00 C ATOM 1403 CD PRO A 95 19.716 -0.316 -1.954 1.00 0.00 C ATOM 0 HA PRO A 95 20.371 -1.143 1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 95 21.819 -2.196 -1.401 1.00 0.00 H new ATOM 0 HB3 PRO A 95 20.700 -3.054 -0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.934 -2.282 -2.796 1.00 0.00 H new ATOM 0 HG3 PRO A 95 18.809 -2.200 -1.455 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.347 0.037 -2.770 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.707 0.044 -2.152 1.00 0.00 H new