USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 548 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 64 SER OG : rot -110:sc= 1.11 USER MOD Set 1.2: A 65 THR OG1 : rot 60:sc= 1.24 USER MOD Set 2.1: A 49 GLN : amide:sc= 0.635 K(o=0.23,f=-5.2) USER MOD Set 2.2: A 57 ASN : amide:sc= -0.915 K(o=0.23,f=-3.7!) USER MOD Set 2.3: A 61 HIS : no HE2:sc= 0.512 K(o=0.23,f=-3.9!) USER MOD Set 3.1: A 39 HIS : no HD1:sc= -1.01 K(o=-0.26,f=-0.81) USER MOD Set 3.2: A 63 HIS : no HE2:sc= 0.75 K(o=-0.26,f=-5.1!) USER MOD Set 4.1: A 15 HIS : no HD1:sc= 0.11 K(o=1.4,f=-7.2!) USER MOD Set 4.2: A 20 SER OG : rot 75:sc= 1.32 USER MOD Single : A 6 TYR OH : rot -29:sc= 1.26 USER MOD Single : A 7 TYR OH : rot 131:sc= 1.29 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 13 GLN : amide:sc=-0.00142 K(o=-0.0014,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 2.11 (180deg=2.03) USER MOD Single : A 16 ASN : amide:sc= 0.653 K(o=0.65,f=-2.7!) USER MOD Single : A 21 THR OG1 : rot -60:sc= -0.178 USER MOD Single : A 26 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-6.1!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 177:sc= 0.92 (180deg=0.362) USER MOD Single : A 30 TYR OH : rot 27:sc= 1.1 USER MOD Single : A 33 THR OG1 : rot 83:sc= 2.17 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 19:sc= 1.34 USER MOD Single : A 71 SER OG : rot -55:sc= 1.28 USER MOD Single : A 72 LYS NZ :NH3+ -133:sc= 0.679 (180deg=-3.59!) USER MOD Single : A 73 THR OG1 : rot -34:sc= 0.164 USER MOD Single : A 80 HIS : no HD1:sc= -0.0875 X(o=-0.087,f=0) USER MOD ----------------------------------------------------------------- ATOM 51 N TYR A 6 -7.779 13.339 -0.938 1.00 10.00 N ATOM 52 CA TYR A 6 -8.398 12.042 -0.837 1.00 10.00 C ATOM 53 C TYR A 6 -8.604 11.414 -2.212 1.00 10.00 C ATOM 54 O TYR A 6 -8.502 12.045 -3.262 1.00 10.00 O ATOM 55 CB TYR A 6 -9.675 12.049 -0.001 1.00 10.00 C ATOM 56 CG TYR A 6 -9.566 12.038 1.505 1.00 10.00 C ATOM 57 CD1 TYR A 6 -8.473 12.545 2.222 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.513 11.267 2.174 1.00 10.00 C ATOM 59 CE1 TYR A 6 -8.401 12.335 3.614 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.277 10.811 3.469 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.289 11.435 4.240 1.00 10.00 C ATOM 62 OH TYR A 6 -9.070 10.998 5.508 1.00 10.00 O ATOM 0 HA TYR A 6 -7.700 11.407 -0.291 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.247 12.933 -0.283 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.265 11.180 -0.294 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -7.693 13.092 1.712 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -11.442 11.019 1.683 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -7.665 12.864 4.202 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.848 9.988 3.872 1.00 10.00 H new ATOM 0 HH TYR A 6 -8.107 10.995 5.691 1.00 10.00 H new ATOM 72 N TYR A 7 -8.785 10.105 -2.141 1.00 10.00 N ATOM 73 CA TYR A 7 -8.638 9.132 -3.184 1.00 10.00 C ATOM 74 C TYR A 7 -9.704 8.064 -2.948 1.00 10.00 C ATOM 75 O TYR A 7 -9.919 7.593 -1.833 1.00 10.00 O ATOM 76 CB TYR A 7 -7.222 8.578 -3.009 1.00 10.00 C ATOM 77 CG TYR A 7 -6.110 9.086 -3.922 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.263 10.236 -4.732 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.814 8.597 -3.691 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.137 10.969 -5.148 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.693 9.349 -4.078 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.857 10.573 -4.739 1.00 10.00 C ATOM 83 OH TYR A 7 -2.822 11.468 -4.766 1.00 10.00 O ATOM 0 H TYR A 7 -9.065 9.667 -1.263 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.764 9.520 -4.195 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.918 8.772 -1.981 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.275 7.496 -3.127 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.251 10.553 -5.033 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.679 7.638 -3.213 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.259 11.835 -5.781 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.700 8.982 -3.865 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.346 11.443 -3.910 1.00 10.00 H new ATOM 93 N THR A 8 -10.423 7.727 -4.005 1.00 10.00 N ATOM 94 CA THR A 8 -11.614 6.903 -3.930 1.00 10.00 C ATOM 95 C THR A 8 -11.230 5.433 -4.033 1.00 10.00 C ATOM 96 O THR A 8 -10.204 5.103 -4.625 1.00 10.00 O ATOM 97 CB THR A 8 -12.541 7.310 -5.079 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.795 7.328 -6.282 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.093 8.712 -4.814 1.00 10.00 C ATOM 0 H THR A 8 -10.191 8.023 -4.953 1.00 10.00 H new ATOM 0 HA THR A 8 -12.126 7.047 -2.979 1.00 10.00 H new ATOM 0 HB THR A 8 -13.365 6.601 -5.158 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.379 7.586 -7.025 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.753 9.004 -5.631 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.652 8.712 -3.878 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.268 9.421 -4.744 1.00 10.00 H new ATOM 107 N LEU A 9 -12.068 4.539 -3.499 1.00 10.00 N ATOM 108 CA LEU A 9 -11.893 3.107 -3.700 1.00 10.00 C ATOM 109 C LEU A 9 -11.728 2.781 -5.179 1.00 10.00 C ATOM 110 O LEU A 9 -10.862 1.980 -5.505 1.00 10.00 O ATOM 111 CB LEU A 9 -13.002 2.325 -2.989 1.00 10.00 C ATOM 112 CG LEU A 9 -13.202 0.865 -3.443 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.739 0.029 -2.277 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.201 0.748 -4.604 1.00 10.00 C ATOM 0 H LEU A 9 -12.873 4.787 -2.925 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.963 2.780 -3.234 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.791 2.326 -1.920 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.942 2.859 -3.128 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.230 0.502 -3.777 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.879 -1.002 -2.602 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.027 0.056 -1.452 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.694 0.438 -1.946 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.308 -0.299 -4.888 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.169 1.140 -4.292 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.836 1.320 -5.457 1.00 10.00 H new ATOM 126 N GLU A 10 -12.475 3.454 -6.067 1.00 10.00 N ATOM 127 CA GLU A 10 -12.245 3.368 -7.505 1.00 10.00 C ATOM 128 C GLU A 10 -10.751 3.465 -7.795 1.00 10.00 C ATOM 129 O GLU A 10 -10.146 2.531 -8.318 1.00 10.00 O ATOM 130 CB GLU A 10 -12.980 4.495 -8.252 1.00 10.00 C ATOM 131 CG GLU A 10 -12.669 4.421 -9.758 1.00 10.00 C ATOM 132 CD GLU A 10 -13.181 5.605 -10.559 1.00 10.00 C ATOM 133 OE1 GLU A 10 -14.138 6.260 -10.096 1.00 10.00 O ATOM 134 OE2 GLU A 10 -12.562 5.831 -11.625 1.00 10.00 O ATOM 0 H GLU A 10 -13.248 4.066 -5.805 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.631 2.410 -7.853 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.054 4.409 -8.090 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.674 5.464 -7.857 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -11.590 4.346 -9.891 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -13.104 3.507 -10.163 1.00 10.00 H new ATOM 141 N GLU A 11 -10.165 4.623 -7.487 1.00 10.00 N ATOM 142 CA GLU A 11 -8.781 4.878 -7.835 1.00 10.00 C ATOM 143 C GLU A 11 -7.882 3.877 -7.154 1.00 10.00 C ATOM 144 O GLU A 11 -6.892 3.411 -7.713 1.00 10.00 O ATOM 145 CB GLU A 11 -8.330 6.274 -7.397 1.00 10.00 C ATOM 146 CG GLU A 11 -8.901 7.392 -8.277 1.00 10.00 C ATOM 147 CD GLU A 11 -8.338 7.368 -9.699 1.00 10.00 C ATOM 148 OE1 GLU A 11 -8.769 6.492 -10.487 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.480 8.228 -9.982 1.00 10.00 O ATOM 0 H GLU A 11 -10.630 5.390 -7.001 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.710 4.798 -8.920 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.635 6.441 -6.364 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.241 6.322 -7.420 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.986 7.298 -8.318 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.682 8.357 -7.820 1.00 10.00 H new ATOM 156 N ILE A 12 -8.190 3.594 -5.900 1.00 10.00 N ATOM 157 CA ILE A 12 -7.283 2.797 -5.132 1.00 10.00 C ATOM 158 C ILE A 12 -7.220 1.400 -5.750 1.00 10.00 C ATOM 159 O ILE A 12 -6.127 0.902 -6.009 1.00 10.00 O ATOM 160 CB ILE A 12 -7.669 2.862 -3.648 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.523 4.302 -3.124 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.772 1.956 -2.815 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.391 4.559 -1.893 1.00 10.00 C ATOM 0 H ILE A 12 -9.034 3.897 -5.415 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.262 3.177 -5.163 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.704 2.532 -3.560 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.479 4.493 -2.876 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.797 5.003 -3.912 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.064 2.019 -1.767 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.874 0.927 -3.159 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.735 2.273 -2.922 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.254 5.588 -1.560 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.439 4.396 -2.146 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.100 3.877 -1.094 1.00 10.00 H new ATOM 175 N GLN A 13 -8.381 0.824 -6.079 1.00 10.00 N ATOM 176 CA GLN A 13 -8.462 -0.416 -6.841 1.00 10.00 C ATOM 177 C GLN A 13 -7.684 -0.285 -8.153 1.00 10.00 C ATOM 178 O GLN A 13 -6.841 -1.120 -8.473 1.00 10.00 O ATOM 179 CB GLN A 13 -9.924 -0.758 -7.158 1.00 10.00 C ATOM 180 CG GLN A 13 -10.685 -1.294 -5.941 1.00 10.00 C ATOM 181 CD GLN A 13 -12.146 -1.594 -6.269 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.668 -0.966 -7.216 1.00 10.00 O ATOM 183 NE2 GLN A 13 -12.717 -2.460 -5.573 1.00 10.00 N ATOM 0 H GLN A 13 -9.290 1.209 -5.822 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.028 -1.213 -6.237 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.428 0.133 -7.533 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -9.954 -1.500 -7.956 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.200 -2.201 -5.581 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -10.637 -0.564 -5.133 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -12.211 -2.923 -4.818 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -13.689 -2.705 -5.760 1.00 10.00 H new ATOM 190 N LYS A 14 -7.997 0.769 -8.913 1.00 10.00 N ATOM 191 CA LYS A 14 -7.415 1.079 -10.215 1.00 10.00 C ATOM 192 C LYS A 14 -5.884 0.951 -10.147 1.00 10.00 C ATOM 193 O LYS A 14 -5.255 0.312 -10.994 1.00 10.00 O ATOM 194 CB LYS A 14 -7.875 2.501 -10.598 1.00 10.00 C ATOM 195 CG LYS A 14 -7.697 2.985 -12.041 1.00 10.00 C ATOM 196 CD LYS A 14 -8.969 2.849 -12.902 1.00 10.00 C ATOM 197 CE LYS A 14 -10.241 3.572 -12.398 1.00 10.00 C ATOM 198 NZ LYS A 14 -10.084 5.022 -12.132 1.00 10.00 N ATOM 0 H LYS A 14 -8.692 1.456 -8.622 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.748 0.381 -10.983 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.935 2.579 -10.355 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.347 3.201 -9.950 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -7.387 4.030 -12.029 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -6.891 2.419 -12.508 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -8.742 3.220 -13.902 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.199 1.788 -13.000 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.031 3.439 -13.137 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -10.576 3.086 -11.482 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -11.004 5.428 -11.865 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -9.406 5.161 -11.356 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -9.732 5.496 -12.988 1.00 10.00 H new ATOM 212 N HIS A 15 -5.274 1.546 -9.120 1.00 10.00 N ATOM 213 CA HIS A 15 -3.837 1.508 -8.909 1.00 10.00 C ATOM 214 C HIS A 15 -3.373 0.209 -8.239 1.00 10.00 C ATOM 215 O HIS A 15 -2.846 0.206 -7.127 1.00 10.00 O ATOM 216 CB HIS A 15 -3.408 2.724 -8.100 1.00 10.00 C ATOM 217 CG HIS A 15 -3.349 4.000 -8.891 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.198 4.684 -9.189 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.392 4.676 -9.467 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.533 5.736 -9.951 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.859 5.769 -10.158 1.00 10.00 N ATOM 0 H HIS A 15 -5.776 2.073 -8.406 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.356 1.534 -9.887 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.101 2.856 -7.269 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.426 2.531 -7.668 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.437 4.413 -9.400 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.832 6.457 -10.344 1.00 10.00 H new ATOM 0 HE2 HIS A 15 -4.375 6.455 -10.709 1.00 10.00 H new ATOM 229 N ASN A 16 -3.477 -0.895 -8.972 1.00 10.00 N ATOM 230 CA ASN A 16 -2.822 -2.149 -8.594 1.00 10.00 C ATOM 231 C ASN A 16 -2.346 -2.963 -9.798 1.00 10.00 C ATOM 232 O ASN A 16 -2.126 -4.173 -9.691 1.00 10.00 O ATOM 233 CB ASN A 16 -3.673 -2.955 -7.600 1.00 10.00 C ATOM 234 CG ASN A 16 -4.897 -3.639 -8.202 1.00 10.00 C ATOM 235 OD1 ASN A 16 -5.126 -3.602 -9.409 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.684 -4.296 -7.355 1.00 10.00 N ATOM 0 H ASN A 16 -4.012 -0.949 -9.838 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.907 -1.883 -8.065 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.042 -3.714 -7.138 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.004 -2.288 -6.804 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.507 -4.789 -7.701 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.465 -4.307 -6.359 1.00 10.00 H new ATOM 290 N SER A 20 0.427 2.047 -10.710 1.00 10.00 N ATOM 291 CA SER A 20 1.157 2.068 -9.471 1.00 10.00 C ATOM 292 C SER A 20 0.579 0.875 -8.709 1.00 10.00 C ATOM 293 O SER A 20 -0.364 0.234 -9.183 1.00 10.00 O ATOM 294 CB SER A 20 0.964 3.385 -8.701 1.00 10.00 C ATOM 295 OG SER A 20 0.504 4.440 -9.525 1.00 10.00 O ATOM 0 HA SER A 20 2.235 2.002 -9.618 1.00 10.00 H new ATOM 0 HB2 SER A 20 0.252 3.226 -7.891 1.00 10.00 H new ATOM 0 HB3 SER A 20 1.910 3.674 -8.242 1.00 10.00 H new ATOM 0 HG SER A 20 -0.447 4.309 -9.724 1.00 10.00 H new ATOM 301 N THR A 21 1.139 0.593 -7.546 1.00 10.00 N ATOM 302 CA THR A 21 0.596 -0.350 -6.583 1.00 10.00 C ATOM 303 C THR A 21 0.316 0.404 -5.282 1.00 10.00 C ATOM 304 O THR A 21 1.244 0.720 -4.535 1.00 10.00 O ATOM 305 CB THR A 21 1.557 -1.531 -6.420 1.00 10.00 C ATOM 306 OG1 THR A 21 1.800 -2.072 -7.701 1.00 10.00 O ATOM 307 CG2 THR A 21 0.936 -2.631 -5.561 1.00 10.00 C ATOM 0 H THR A 21 2.009 1.026 -7.236 1.00 10.00 H new ATOM 0 HA THR A 21 -0.348 -0.777 -6.922 1.00 10.00 H new ATOM 0 HB THR A 21 2.471 -1.179 -5.941 1.00 10.00 H new ATOM 0 HG1 THR A 21 0.955 -2.376 -8.093 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.640 -3.457 -5.462 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.702 -2.233 -4.573 1.00 10.00 H new ATOM 0 HG23 THR A 21 0.021 -2.989 -6.034 1.00 10.00 H new ATOM 315 N TRP A 22 -0.965 0.716 -5.069 1.00 10.00 N ATOM 316 CA TRP A 22 -1.517 1.484 -3.962 1.00 10.00 C ATOM 317 C TRP A 22 -2.107 0.516 -2.944 1.00 10.00 C ATOM 318 O TRP A 22 -2.650 -0.493 -3.359 1.00 10.00 O ATOM 319 CB TRP A 22 -2.633 2.372 -4.529 1.00 10.00 C ATOM 320 CG TRP A 22 -2.197 3.640 -5.190 1.00 10.00 C ATOM 321 CD1 TRP A 22 -0.958 3.914 -5.644 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.003 4.803 -5.532 1.00 10.00 C ATOM 323 NE1 TRP A 22 -0.952 5.132 -6.285 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.208 5.714 -6.287 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.325 5.184 -5.253 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.740 6.907 -6.808 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -4.888 6.336 -5.820 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.111 7.177 -6.631 1.00 10.00 C ATOM 0 H TRP A 22 -1.693 0.414 -5.716 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.751 2.093 -3.481 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.202 1.787 -5.252 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.314 2.626 -3.717 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.097 3.273 -5.523 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.124 5.554 -6.706 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -4.921 4.577 -4.588 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.107 7.605 -7.336 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -5.924 6.577 -5.632 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.563 8.029 -7.118 1.00 10.00 H new ATOM 339 N LEU A 23 -2.044 0.772 -1.634 1.00 10.00 N ATOM 340 CA LEU A 23 -2.755 -0.044 -0.642 1.00 10.00 C ATOM 341 C LEU A 23 -3.306 0.860 0.450 1.00 10.00 C ATOM 342 O LEU A 23 -2.816 1.980 0.593 1.00 10.00 O ATOM 343 CB LEU A 23 -1.878 -1.140 -0.004 1.00 10.00 C ATOM 344 CG LEU A 23 -0.607 -1.527 -0.762 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.540 -0.691 -0.220 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.258 -3.009 -0.589 1.00 10.00 C ATOM 0 H LEU A 23 -1.506 1.541 -1.234 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.558 -0.555 -1.172 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -1.592 -0.809 0.994 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.487 -2.035 0.119 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.774 -1.347 -1.824 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.459 -0.950 -0.746 1.00 10.00 H new ATOM 0 HD12 LEU A 23 0.322 0.366 -0.369 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.663 -0.889 0.845 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.651 -3.236 -1.145 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.100 -3.225 0.468 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -1.077 -3.622 -0.966 1.00 10.00 H new ATOM 358 N ILE A 24 -4.291 0.378 1.220 1.00 10.00 N ATOM 359 CA ILE A 24 -4.881 1.133 2.322 1.00 10.00 C ATOM 360 C ILE A 24 -4.403 0.568 3.654 1.00 10.00 C ATOM 361 O ILE A 24 -4.710 -0.581 3.986 1.00 10.00 O ATOM 362 CB ILE A 24 -6.421 1.096 2.256 1.00 10.00 C ATOM 363 CG1 ILE A 24 -6.995 1.589 0.924 1.00 10.00 C ATOM 364 CG2 ILE A 24 -7.044 1.886 3.419 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.363 0.963 0.627 1.00 10.00 C ATOM 0 H ILE A 24 -4.698 -0.548 1.092 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.561 2.171 2.235 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.689 0.043 2.342 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.090 2.675 0.949 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.302 1.348 0.118 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.131 1.843 3.347 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.725 1.451 4.366 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.718 2.925 3.369 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -8.736 1.338 -0.326 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.264 -0.121 0.576 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.063 1.226 1.420 1.00 10.00 H new ATOM 377 N LEU A 25 -3.682 1.400 4.414 1.00 10.00 N ATOM 378 CA LEU A 25 -3.143 1.116 5.737 1.00 10.00 C ATOM 379 C LEU A 25 -3.633 2.224 6.678 1.00 10.00 C ATOM 380 O LEU A 25 -3.017 3.284 6.765 1.00 10.00 O ATOM 381 CB LEU A 25 -1.609 1.091 5.691 1.00 10.00 C ATOM 382 CG LEU A 25 -0.923 -0.217 5.267 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.369 -0.720 3.896 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.588 0.022 5.199 1.00 10.00 C ATOM 0 H LEU A 25 -3.449 2.342 4.099 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.479 0.140 6.089 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.282 1.876 5.009 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.240 1.356 6.682 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.198 -0.969 6.006 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.845 -1.646 3.660 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.443 -0.903 3.908 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.137 0.030 3.140 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.089 -0.898 4.899 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.800 0.805 4.471 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.952 0.330 6.179 1.00 10.00 H new ATOM 396 N HIS A 26 -4.730 1.986 7.397 1.00 10.00 N ATOM 397 CA HIS A 26 -5.249 2.915 8.405 1.00 10.00 C ATOM 398 C HIS A 26 -5.902 4.134 7.735 1.00 10.00 C ATOM 399 O HIS A 26 -5.497 5.266 7.984 1.00 10.00 O ATOM 400 CB HIS A 26 -4.162 3.339 9.427 1.00 10.00 C ATOM 401 CG HIS A 26 -3.132 2.294 9.787 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.367 1.115 10.452 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.806 2.308 9.428 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.217 0.421 10.454 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.224 1.115 9.867 1.00 10.00 N ATOM 0 H HIS A 26 -5.288 1.138 7.297 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.017 2.388 8.971 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.640 4.209 9.029 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.660 3.657 10.343 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -4.251 0.821 10.867 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.301 3.102 8.899 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.103 -0.568 10.873 1.00 10.00 H new ATOM 413 N TYR A 27 -6.890 3.908 6.858 1.00 10.00 N ATOM 414 CA TYR A 27 -7.520 4.911 5.987 1.00 10.00 C ATOM 415 C TYR A 27 -6.561 5.474 4.934 1.00 10.00 C ATOM 416 O TYR A 27 -6.954 5.636 3.783 1.00 10.00 O ATOM 417 CB TYR A 27 -8.186 6.080 6.740 1.00 10.00 C ATOM 418 CG TYR A 27 -9.659 5.931 7.067 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.056 5.417 8.315 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.612 6.546 6.231 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.389 5.561 8.745 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.934 6.716 6.674 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.319 6.240 7.937 1.00 10.00 C ATOM 424 OH TYR A 27 -13.602 6.416 8.358 1.00 10.00 O ATOM 0 H TYR A 27 -7.290 2.979 6.730 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.309 4.349 5.488 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -7.645 6.235 7.673 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -8.060 6.984 6.144 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -9.338 4.912 8.944 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.325 6.887 5.247 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -11.697 5.150 9.695 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.655 7.213 6.042 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.106 6.906 7.675 1.00 10.00 H new ATOM 434 N LYS A 28 -5.335 5.845 5.304 1.00 10.00 N ATOM 435 CA LYS A 28 -4.419 6.466 4.360 1.00 10.00 C ATOM 436 C LYS A 28 -4.109 5.483 3.219 1.00 10.00 C ATOM 437 O LYS A 28 -4.332 4.278 3.350 1.00 10.00 O ATOM 438 CB LYS A 28 -3.158 6.989 5.067 1.00 10.00 C ATOM 439 CG LYS A 28 -3.351 8.316 5.818 1.00 10.00 C ATOM 440 CD LYS A 28 -4.344 8.161 6.973 1.00 10.00 C ATOM 441 CE LYS A 28 -4.281 9.285 8.017 1.00 10.00 C ATOM 442 NZ LYS A 28 -4.845 10.553 7.515 1.00 10.00 N ATOM 0 H LYS A 28 -4.959 5.726 6.245 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.892 7.342 3.917 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.813 6.234 5.773 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.369 7.117 4.326 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.392 8.661 6.204 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -3.710 9.079 5.127 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -5.354 8.117 6.565 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.159 7.209 7.470 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.824 8.978 8.911 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.244 9.444 8.313 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.826 11.265 8.272 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -4.280 10.889 6.709 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -5.827 10.399 7.209 1.00 10.00 H new ATOM 456 N VAL A 29 -3.593 6.011 2.109 1.00 10.00 N ATOM 457 CA VAL A 29 -3.299 5.289 0.875 1.00 10.00 C ATOM 458 C VAL A 29 -1.805 5.396 0.567 1.00 10.00 C ATOM 459 O VAL A 29 -1.229 6.479 0.686 1.00 10.00 O ATOM 460 CB VAL A 29 -4.147 5.831 -0.281 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.783 5.175 -1.609 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.627 5.532 -0.052 1.00 10.00 C ATOM 0 H VAL A 29 -3.358 7.001 2.045 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.554 4.237 1.001 1.00 10.00 H new ATOM 0 HB VAL A 29 -3.953 6.903 -0.318 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.407 5.587 -2.402 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.734 5.368 -1.835 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.947 4.100 -1.541 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.211 5.925 -0.884 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.774 4.454 0.017 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -5.954 6.003 0.875 1.00 10.00 H new ATOM 472 N TYR A 30 -1.197 4.261 0.204 1.00 10.00 N ATOM 473 CA TYR A 30 0.234 4.026 0.267 1.00 10.00 C ATOM 474 C TYR A 30 0.691 3.516 -1.094 1.00 10.00 C ATOM 475 O TYR A 30 0.263 2.430 -1.469 1.00 10.00 O ATOM 476 CB TYR A 30 0.445 2.961 1.357 1.00 10.00 C ATOM 477 CG TYR A 30 0.191 3.495 2.752 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.132 3.680 3.175 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.246 3.881 3.599 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.397 4.256 4.420 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.968 4.357 4.896 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.358 4.506 5.319 1.00 10.00 C ATOM 483 OH TYR A 30 -0.653 4.724 6.632 1.00 10.00 O ATOM 0 H TYR A 30 -1.714 3.458 -0.153 1.00 10.00 H new ATOM 0 HA TYR A 30 0.804 4.924 0.504 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.219 2.117 1.169 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.466 2.583 1.297 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.949 3.377 2.537 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.268 3.813 3.256 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.412 4.510 4.689 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.779 4.607 5.564 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.492 4.271 6.858 1.00 10.00 H new ATOM 493 N ASP A 31 1.528 4.264 -1.821 1.00 10.00 N ATOM 494 CA ASP A 31 2.066 3.843 -3.117 1.00 10.00 C ATOM 495 C ASP A 31 3.459 3.289 -2.889 1.00 10.00 C ATOM 496 O ASP A 31 4.225 3.916 -2.158 1.00 10.00 O ATOM 497 CB ASP A 31 2.193 5.029 -4.075 1.00 10.00 C ATOM 498 CG ASP A 31 2.287 4.601 -5.533 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.896 3.540 -5.799 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.696 5.319 -6.371 1.00 10.00 O ATOM 0 H ASP A 31 1.853 5.184 -1.524 1.00 10.00 H new ATOM 0 HA ASP A 31 1.393 3.103 -3.551 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.333 5.686 -3.949 1.00 10.00 H new ATOM 0 HB3 ASP A 31 3.078 5.609 -3.813 1.00 10.00 H new ATOM 505 N LEU A 32 3.791 2.140 -3.483 1.00 10.00 N ATOM 506 CA LEU A 32 5.110 1.549 -3.298 1.00 10.00 C ATOM 507 C LEU A 32 5.852 1.330 -4.618 1.00 10.00 C ATOM 508 O LEU A 32 6.994 1.764 -4.744 1.00 10.00 O ATOM 509 CB LEU A 32 5.054 0.266 -2.456 1.00 10.00 C ATOM 510 CG LEU A 32 3.874 0.098 -1.493 1.00 10.00 C ATOM 511 CD1 LEU A 32 4.105 -1.219 -0.737 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.758 1.233 -0.476 1.00 10.00 C ATOM 0 H LEU A 32 3.168 1.608 -4.090 1.00 10.00 H new ATOM 0 HA LEU A 32 5.692 2.279 -2.736 1.00 10.00 H new ATOM 0 HB2 LEU A 32 5.053 -0.584 -3.139 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.973 0.206 -1.874 1.00 10.00 H new ATOM 0 HG LEU A 32 2.950 0.104 -2.072 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.287 -1.384 -0.036 1.00 10.00 H new ATOM 0 HD12 LEU A 32 4.146 -2.044 -1.448 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.046 -1.164 -0.190 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.903 1.052 0.175 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.667 1.279 0.124 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.622 2.179 -1.000 1.00 10.00 H new ATOM 524 N THR A 33 5.223 0.629 -5.571 1.00 10.00 N ATOM 525 CA THR A 33 5.610 0.426 -6.974 1.00 10.00 C ATOM 526 C THR A 33 7.085 0.082 -7.279 1.00 10.00 C ATOM 527 O THR A 33 7.346 -0.973 -7.841 1.00 10.00 O ATOM 528 CB THR A 33 5.056 1.585 -7.814 1.00 10.00 C ATOM 529 OG1 THR A 33 3.681 1.735 -7.514 1.00 10.00 O ATOM 530 CG2 THR A 33 5.179 1.310 -9.317 1.00 10.00 C ATOM 0 H THR A 33 4.350 0.145 -5.360 1.00 10.00 H new ATOM 0 HA THR A 33 5.146 -0.515 -7.269 1.00 10.00 H new ATOM 0 HB THR A 33 5.629 2.481 -7.575 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.580 2.268 -6.698 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.776 2.155 -9.876 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.228 1.171 -9.577 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.621 0.408 -9.569 1.00 10.00 H new ATOM 538 N LYS A 34 8.070 0.912 -6.937 1.00 10.00 N ATOM 539 CA LYS A 34 9.451 0.439 -6.919 1.00 10.00 C ATOM 540 C LYS A 34 9.636 -0.596 -5.808 1.00 10.00 C ATOM 541 O LYS A 34 10.368 -1.570 -5.962 1.00 10.00 O ATOM 542 CB LYS A 34 10.424 1.599 -6.688 1.00 10.00 C ATOM 543 CG LYS A 34 10.524 2.526 -7.905 1.00 10.00 C ATOM 544 CD LYS A 34 11.653 3.555 -7.743 1.00 10.00 C ATOM 545 CE LYS A 34 13.047 2.901 -7.812 1.00 10.00 C ATOM 546 NZ LYS A 34 14.141 3.891 -7.724 1.00 10.00 N ATOM 0 H LYS A 34 7.943 1.890 -6.675 1.00 10.00 H new ATOM 0 HA LYS A 34 9.663 -0.014 -7.887 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.100 2.175 -5.821 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.412 1.201 -6.455 1.00 10.00 H new ATOM 0 HG2 LYS A 34 10.699 1.932 -8.802 1.00 10.00 H new ATOM 0 HG3 LYS A 34 9.576 3.045 -8.046 1.00 10.00 H new ATOM 0 HD2 LYS A 34 11.569 4.311 -8.524 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.541 4.069 -6.788 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.147 2.180 -7.001 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.138 2.345 -8.745 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 15.057 3.401 -7.775 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 14.064 4.565 -8.513 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 14.073 4.405 -6.822 1.00 10.00 H new ATOM 560 N PHE A 35 8.988 -0.369 -4.662 1.00 10.00 N ATOM 561 CA PHE A 35 9.289 -1.105 -3.438 1.00 10.00 C ATOM 562 C PHE A 35 8.893 -2.571 -3.570 1.00 10.00 C ATOM 563 O PHE A 35 9.425 -3.430 -2.881 1.00 10.00 O ATOM 564 CB PHE A 35 8.565 -0.473 -2.249 1.00 10.00 C ATOM 565 CG PHE A 35 9.258 -0.706 -0.923 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.450 -0.016 -0.634 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.784 -1.687 -0.034 1.00 10.00 C ATOM 568 CE1 PHE A 35 11.178 -0.323 0.528 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.524 -2.008 1.115 1.00 10.00 C ATOM 570 CZ PHE A 35 10.721 -1.327 1.398 1.00 10.00 C ATOM 0 H PHE A 35 8.247 0.324 -4.560 1.00 10.00 H new ATOM 0 HA PHE A 35 10.365 -1.054 -3.269 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.474 0.600 -2.418 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.553 -0.874 -2.196 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.806 0.751 -1.306 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.851 -2.193 -0.235 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.089 0.213 0.752 1.00 10.00 H new ATOM 0 HE2 PHE A 35 9.173 -2.780 1.783 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.288 -1.575 2.283 1.00 10.00 H new ATOM 580 N LEU A 36 7.958 -2.835 -4.481 1.00 10.00 N ATOM 581 CA LEU A 36 7.684 -4.136 -5.064 1.00 10.00 C ATOM 582 C LEU A 36 8.956 -4.989 -5.191 1.00 10.00 C ATOM 583 O LEU A 36 8.951 -6.151 -4.787 1.00 10.00 O ATOM 584 CB LEU A 36 7.032 -3.886 -6.431 1.00 10.00 C ATOM 585 CG LEU A 36 5.707 -3.121 -6.398 1.00 10.00 C ATOM 586 CD1 LEU A 36 5.111 -3.165 -7.812 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.696 -3.687 -5.402 1.00 10.00 C ATOM 0 H LEU A 36 7.344 -2.108 -4.847 1.00 10.00 H new ATOM 0 HA LEU A 36 7.016 -4.705 -4.418 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.735 -3.333 -7.054 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.864 -4.848 -6.916 1.00 10.00 H new ATOM 0 HG LEU A 36 5.915 -2.103 -6.069 1.00 10.00 H new ATOM 0 HD11 LEU A 36 4.163 -2.627 -7.824 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.802 -2.697 -8.513 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.944 -4.202 -8.104 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.782 -3.094 -5.434 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.467 -4.720 -5.663 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.116 -3.651 -4.397 1.00 10.00 H new ATOM 599 N GLU A 37 10.042 -4.400 -5.707 1.00 10.00 N ATOM 600 CA GLU A 37 11.355 -5.030 -5.739 1.00 10.00 C ATOM 601 C GLU A 37 11.930 -5.120 -4.322 1.00 10.00 C ATOM 602 O GLU A 37 12.235 -6.201 -3.823 1.00 10.00 O ATOM 603 CB GLU A 37 12.287 -4.204 -6.640 1.00 10.00 C ATOM 604 CG GLU A 37 11.866 -4.234 -8.116 1.00 10.00 C ATOM 605 CD GLU A 37 12.177 -5.577 -8.767 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.339 -5.736 -9.198 1.00 10.00 O ATOM 607 OE2 GLU A 37 11.255 -6.417 -8.815 1.00 10.00 O ATOM 0 H GLU A 37 10.027 -3.466 -6.116 1.00 10.00 H new ATOM 0 HA GLU A 37 11.266 -6.040 -6.139 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.301 -3.171 -6.292 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.304 -4.585 -6.549 1.00 10.00 H new ATOM 0 HG2 GLU A 37 10.798 -4.031 -8.193 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.381 -3.440 -8.657 1.00 10.00 H new ATOM 614 N GLU A 38 12.074 -3.970 -3.662 1.00 10.00 N ATOM 615 CA GLU A 38 12.817 -3.786 -2.417 1.00 10.00 C ATOM 616 C GLU A 38 12.145 -4.385 -1.163 1.00 10.00 C ATOM 617 O GLU A 38 12.410 -3.937 -0.047 1.00 10.00 O ATOM 618 CB GLU A 38 12.989 -2.282 -2.182 1.00 10.00 C ATOM 619 CG GLU A 38 13.497 -1.433 -3.364 1.00 10.00 C ATOM 620 CD GLU A 38 14.953 -1.680 -3.746 1.00 10.00 C ATOM 621 OE1 GLU A 38 15.623 -2.457 -3.034 1.00 10.00 O ATOM 622 OE2 GLU A 38 15.375 -1.042 -4.736 1.00 10.00 O ATOM 0 H GLU A 38 11.656 -3.102 -3.997 1.00 10.00 H new ATOM 0 HA GLU A 38 13.760 -4.317 -2.546 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.027 -1.878 -1.866 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.680 -2.148 -1.350 1.00 10.00 H new ATOM 0 HG2 GLU A 38 12.869 -1.631 -4.233 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.374 -0.379 -3.116 1.00 10.00 H new ATOM 629 N HIS A 39 11.265 -5.369 -1.321 1.00 10.00 N ATOM 630 CA HIS A 39 10.375 -5.858 -0.276 1.00 10.00 C ATOM 631 C HIS A 39 10.555 -7.359 -0.047 1.00 10.00 C ATOM 632 O HIS A 39 10.242 -8.140 -0.944 1.00 10.00 O ATOM 633 CB HIS A 39 8.925 -5.574 -0.682 1.00 10.00 C ATOM 634 CG HIS A 39 7.920 -6.057 0.328 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.883 -6.930 0.101 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.845 -5.651 1.631 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.196 -7.033 1.255 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.740 -6.264 2.219 1.00 10.00 N ATOM 0 H HIS A 39 11.149 -5.862 -2.206 1.00 10.00 H new ATOM 0 HA HIS A 39 10.618 -5.343 0.654 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.799 -4.501 -0.826 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.723 -6.050 -1.642 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.526 -4.971 2.121 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.322 -7.652 1.390 1.00 10.00 H new ATOM 0 HE2 HIS A 39 6.412 -6.154 3.178 1.00 10.00 H new ATOM 646 N PRO A 40 10.961 -7.802 1.156 1.00 10.00 N ATOM 647 CA PRO A 40 10.756 -9.177 1.581 1.00 10.00 C ATOM 648 C PRO A 40 9.256 -9.486 1.490 1.00 10.00 C ATOM 649 O PRO A 40 8.469 -8.912 2.235 1.00 10.00 O ATOM 650 CB PRO A 40 11.282 -9.253 3.023 1.00 10.00 C ATOM 651 CG PRO A 40 12.201 -8.037 3.144 1.00 10.00 C ATOM 652 CD PRO A 40 11.519 -7.013 2.240 1.00 10.00 C ATOM 0 HA PRO A 40 11.277 -9.909 0.963 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.469 -9.213 3.748 1.00 10.00 H new ATOM 0 HB3 PRO A 40 11.823 -10.182 3.202 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.274 -7.685 4.173 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.215 -8.260 2.811 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.742 -6.467 2.774 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.230 -6.275 1.869 1.00 10.00 H new ATOM 660 N GLY A 41 8.848 -10.318 0.530 1.00 10.00 N ATOM 661 CA GLY A 41 7.453 -10.440 0.124 1.00 10.00 C ATOM 662 C GLY A 41 7.373 -10.463 -1.403 1.00 10.00 C ATOM 663 O GLY A 41 6.671 -11.287 -1.981 1.00 10.00 O ATOM 0 H GLY A 41 9.481 -10.927 0.012 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.020 -11.352 0.536 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.873 -9.605 0.518 1.00 10.00 H new ATOM 667 N GLY A 42 8.104 -9.552 -2.055 1.00 10.00 N ATOM 668 CA GLY A 42 8.026 -9.352 -3.493 1.00 10.00 C ATOM 669 C GLY A 42 6.724 -8.664 -3.880 1.00 10.00 C ATOM 670 O GLY A 42 5.917 -8.290 -3.025 1.00 10.00 O ATOM 0 H GLY A 42 8.768 -8.933 -1.590 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.872 -8.751 -3.826 1.00 10.00 H new ATOM 0 HA3 GLY A 42 8.098 -10.313 -4.002 1.00 10.00 H new ATOM 674 N GLU A 43 6.550 -8.483 -5.190 1.00 10.00 N ATOM 675 CA GLU A 43 5.412 -7.788 -5.754 1.00 10.00 C ATOM 676 C GLU A 43 4.121 -8.552 -5.482 1.00 10.00 C ATOM 677 O GLU A 43 3.215 -8.005 -4.863 1.00 10.00 O ATOM 678 CB GLU A 43 5.652 -7.538 -7.249 1.00 10.00 C ATOM 679 CG GLU A 43 4.388 -7.024 -7.963 1.00 10.00 C ATOM 680 CD GLU A 43 4.611 -6.714 -9.437 1.00 10.00 C ATOM 681 OE1 GLU A 43 5.709 -6.233 -9.773 1.00 10.00 O ATOM 682 OE2 GLU A 43 3.637 -6.926 -10.197 1.00 10.00 O ATOM 0 H GLU A 43 7.209 -8.823 -5.891 1.00 10.00 H new ATOM 0 HA GLU A 43 5.299 -6.817 -5.272 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.456 -6.812 -7.370 1.00 10.00 H new ATOM 0 HB3 GLU A 43 5.984 -8.463 -7.722 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.599 -7.770 -7.871 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.035 -6.124 -7.459 1.00 10.00 H new ATOM 689 N GLU A 44 4.009 -9.786 -5.978 1.00 10.00 N ATOM 690 CA GLU A 44 2.733 -10.481 -6.098 1.00 10.00 C ATOM 691 C GLU A 44 1.889 -10.396 -4.823 1.00 10.00 C ATOM 692 O GLU A 44 0.747 -9.949 -4.870 1.00 10.00 O ATOM 693 CB GLU A 44 2.962 -11.934 -6.528 1.00 10.00 C ATOM 694 CG GLU A 44 3.682 -12.027 -7.880 1.00 10.00 C ATOM 695 CD GLU A 44 3.729 -13.469 -8.367 1.00 10.00 C ATOM 696 OE1 GLU A 44 4.462 -14.252 -7.726 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.020 -13.760 -9.353 1.00 10.00 O ATOM 0 H GLU A 44 4.806 -10.330 -6.308 1.00 10.00 H new ATOM 0 HA GLU A 44 2.156 -9.974 -6.871 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.550 -12.449 -5.768 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.003 -12.449 -6.592 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.169 -11.407 -8.614 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.695 -11.637 -7.786 1.00 10.00 H new ATOM 704 N VAL A 45 2.457 -10.781 -3.678 1.00 10.00 N ATOM 705 CA VAL A 45 1.748 -10.773 -2.402 1.00 10.00 C ATOM 706 C VAL A 45 1.377 -9.348 -1.964 1.00 10.00 C ATOM 707 O VAL A 45 0.351 -9.153 -1.321 1.00 10.00 O ATOM 708 CB VAL A 45 2.585 -11.533 -1.356 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.780 -10.709 -0.860 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.732 -11.993 -0.170 1.00 10.00 C ATOM 0 H VAL A 45 3.421 -11.107 -3.612 1.00 10.00 H new ATOM 0 HA VAL A 45 0.795 -11.291 -2.511 1.00 10.00 H new ATOM 0 HB VAL A 45 2.974 -12.416 -1.862 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.340 -11.286 -0.124 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.429 -10.467 -1.701 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.421 -9.788 -0.401 1.00 10.00 H new ATOM 0 HG21 VAL A 45 2.360 -12.525 0.545 1.00 10.00 H new ATOM 0 HG22 VAL A 45 1.285 -11.125 0.315 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.944 -12.657 -0.525 1.00 10.00 H new ATOM 720 N LEU A 46 2.168 -8.326 -2.316 1.00 10.00 N ATOM 721 CA LEU A 46 1.722 -6.953 -2.109 1.00 10.00 C ATOM 722 C LEU A 46 0.529 -6.692 -3.022 1.00 10.00 C ATOM 723 O LEU A 46 -0.512 -6.222 -2.572 1.00 10.00 O ATOM 724 CB LEU A 46 2.830 -5.928 -2.408 1.00 10.00 C ATOM 725 CG LEU A 46 3.962 -5.893 -1.376 1.00 10.00 C ATOM 726 CD1 LEU A 46 5.109 -5.055 -1.945 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.485 -5.247 -0.072 1.00 10.00 C ATOM 0 H LEU A 46 3.094 -8.423 -2.734 1.00 10.00 H new ATOM 0 HA LEU A 46 1.449 -6.836 -1.060 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.255 -6.148 -3.387 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.382 -4.936 -2.470 1.00 10.00 H new ATOM 0 HG LEU A 46 4.286 -6.913 -1.167 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.925 -5.018 -1.224 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.464 -5.506 -2.872 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.756 -4.043 -2.145 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.304 -5.232 0.647 1.00 10.00 H new ATOM 0 HD22 LEU A 46 3.157 -4.226 -0.270 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.654 -5.822 0.336 1.00 10.00 H new ATOM 739 N ARG A 47 0.688 -6.970 -4.315 1.00 10.00 N ATOM 740 CA ARG A 47 -0.248 -6.527 -5.331 1.00 10.00 C ATOM 741 C ARG A 47 -1.618 -7.188 -5.160 1.00 10.00 C ATOM 742 O ARG A 47 -2.647 -6.552 -5.364 1.00 10.00 O ATOM 743 CB ARG A 47 0.337 -6.721 -6.733 1.00 10.00 C ATOM 744 CG ARG A 47 -0.337 -5.734 -7.704 1.00 10.00 C ATOM 745 CD ARG A 47 0.698 -5.029 -8.588 1.00 10.00 C ATOM 746 NE ARG A 47 1.271 -5.934 -9.585 1.00 10.00 N ATOM 747 CZ ARG A 47 0.676 -6.372 -10.700 1.00 10.00 C ATOM 748 NH1 ARG A 47 -0.600 -6.063 -10.963 1.00 10.00 N ATOM 749 NH2 ARG A 47 1.399 -7.109 -11.543 1.00 10.00 N ATOM 0 H ARG A 47 1.472 -7.510 -4.682 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.412 -5.457 -5.203 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.414 -6.555 -6.717 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.177 -7.746 -7.068 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.051 -6.268 -8.331 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -0.901 -4.992 -7.139 1.00 10.00 H new ATOM 0 HD2 ARG A 47 0.229 -4.184 -9.092 1.00 10.00 H new ATOM 0 HD3 ARG A 47 1.495 -4.626 -7.963 1.00 10.00 H new ATOM 0 HE ARG A 47 2.220 -6.264 -9.412 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -1.130 -5.487 -10.309 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -1.042 -6.404 -11.817 1.00 10.00 H new ATOM 0 HH21 ARG A 47 2.373 -7.322 -11.328 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.978 -7.460 -12.403 1.00 10.00 H new ATOM 763 N GLU A 48 -1.601 -8.452 -4.742 1.00 10.00 N ATOM 764 CA GLU A 48 -2.723 -9.215 -4.217 1.00 10.00 C ATOM 765 C GLU A 48 -3.579 -8.354 -3.275 1.00 10.00 C ATOM 766 O GLU A 48 -4.797 -8.289 -3.419 1.00 10.00 O ATOM 767 CB GLU A 48 -2.101 -10.421 -3.494 1.00 10.00 C ATOM 768 CG GLU A 48 -3.066 -11.312 -2.715 1.00 10.00 C ATOM 769 CD GLU A 48 -2.293 -12.224 -1.776 1.00 10.00 C ATOM 770 OE1 GLU A 48 -1.838 -13.287 -2.246 1.00 10.00 O ATOM 771 OE2 GLU A 48 -2.154 -11.811 -0.603 1.00 10.00 O ATOM 0 H GLU A 48 -0.744 -9.004 -4.764 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.399 -9.543 -5.006 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.588 -11.036 -4.233 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.342 -10.052 -2.804 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.762 -10.696 -2.145 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.661 -11.909 -3.406 1.00 10.00 H new ATOM 778 N GLN A 49 -2.936 -7.710 -2.295 1.00 10.00 N ATOM 779 CA GLN A 49 -3.601 -6.892 -1.289 1.00 10.00 C ATOM 780 C GLN A 49 -3.881 -5.484 -1.828 1.00 10.00 C ATOM 781 O GLN A 49 -4.851 -4.836 -1.438 1.00 10.00 O ATOM 782 CB GLN A 49 -2.706 -6.815 -0.045 1.00 10.00 C ATOM 783 CG GLN A 49 -2.360 -8.190 0.543 1.00 10.00 C ATOM 784 CD GLN A 49 -3.567 -8.919 1.120 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.258 -8.387 1.985 1.00 10.00 O ATOM 786 NE2 GLN A 49 -3.797 -10.169 0.739 1.00 10.00 N ATOM 0 H GLN A 49 -1.923 -7.747 -2.181 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.558 -7.346 -1.031 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.783 -6.295 -0.302 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.206 -6.218 0.717 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -1.909 -8.807 -0.234 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -1.611 -8.065 1.325 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -3.215 -10.598 0.019 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -4.556 -10.701 1.166 1.00 10.00 H new ATOM 795 N ALA A 50 -2.983 -4.987 -2.680 1.00 10.00 N ATOM 796 CA ALA A 50 -3.024 -3.650 -3.243 1.00 10.00 C ATOM 797 C ALA A 50 -4.318 -3.380 -4.003 1.00 10.00 C ATOM 798 O ALA A 50 -4.938 -4.265 -4.591 1.00 10.00 O ATOM 799 CB ALA A 50 -1.841 -3.451 -4.178 1.00 10.00 C ATOM 0 H ALA A 50 -2.182 -5.529 -3.004 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.975 -2.947 -2.412 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.875 -2.446 -4.599 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.912 -3.580 -3.622 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.887 -4.184 -4.984 1.00 10.00 H new ATOM 805 N GLY A 51 -4.705 -2.111 -4.003 1.00 10.00 N ATOM 806 CA GLY A 51 -6.016 -1.670 -4.389 1.00 10.00 C ATOM 807 C GLY A 51 -7.028 -2.323 -3.475 1.00 10.00 C ATOM 808 O GLY A 51 -8.056 -2.831 -3.910 1.00 10.00 O ATOM 0 H GLY A 51 -4.089 -1.347 -3.724 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.087 -0.585 -4.319 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.215 -1.936 -5.427 1.00 10.00 H new ATOM 812 N GLY A 52 -6.718 -2.261 -2.179 1.00 10.00 N ATOM 813 CA GLY A 52 -7.590 -2.724 -1.148 1.00 10.00 C ATOM 814 C GLY A 52 -6.953 -2.480 0.214 1.00 10.00 C ATOM 815 O GLY A 52 -5.799 -2.053 0.355 1.00 10.00 O ATOM 0 H GLY A 52 -5.838 -1.879 -1.832 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.548 -2.207 -1.210 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.792 -3.787 -1.280 1.00 10.00 H new ATOM 819 N ASP A 53 -7.801 -2.730 1.196 1.00 10.00 N ATOM 820 CA ASP A 53 -7.607 -2.764 2.634 1.00 10.00 C ATOM 821 C ASP A 53 -6.498 -3.751 2.989 1.00 10.00 C ATOM 822 O ASP A 53 -6.753 -4.938 3.172 1.00 10.00 O ATOM 823 CB ASP A 53 -8.945 -3.134 3.297 1.00 10.00 C ATOM 824 CG ASP A 53 -10.095 -2.279 2.778 1.00 10.00 C ATOM 825 OD1 ASP A 53 -10.406 -2.442 1.578 1.00 10.00 O ATOM 826 OD2 ASP A 53 -10.619 -1.466 3.568 1.00 10.00 O ATOM 0 H ASP A 53 -8.773 -2.942 0.971 1.00 10.00 H new ATOM 0 HA ASP A 53 -7.294 -1.788 3.004 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.163 -4.186 3.112 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.861 -3.011 4.377 1.00 10.00 H new ATOM 831 N ALA A 54 -5.264 -3.256 3.121 1.00 10.00 N ATOM 832 CA ALA A 54 -4.119 -4.076 3.508 1.00 10.00 C ATOM 833 C ALA A 54 -3.712 -3.769 4.954 1.00 10.00 C ATOM 834 O ALA A 54 -2.628 -4.142 5.401 1.00 10.00 O ATOM 835 CB ALA A 54 -2.981 -3.841 2.512 1.00 10.00 C ATOM 0 H ALA A 54 -5.034 -2.275 2.962 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.379 -5.134 3.476 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.121 -4.449 2.792 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.311 -4.118 1.511 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.700 -2.788 2.523 1.00 10.00 H new ATOM 841 N THR A 55 -4.589 -3.077 5.688 1.00 10.00 N ATOM 842 CA THR A 55 -4.297 -2.540 7.002 1.00 10.00 C ATOM 843 C THR A 55 -3.995 -3.664 7.996 1.00 10.00 C ATOM 844 O THR A 55 -2.919 -3.689 8.598 1.00 10.00 O ATOM 845 CB THR A 55 -5.469 -1.647 7.453 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.710 -0.595 6.535 1.00 10.00 O ATOM 847 CG2 THR A 55 -5.114 -0.976 8.772 1.00 10.00 C ATOM 0 H THR A 55 -5.537 -2.876 5.371 1.00 10.00 H new ATOM 0 HA THR A 55 -3.399 -1.923 6.960 1.00 10.00 H new ATOM 0 HB THR A 55 -6.346 -2.290 7.532 1.00 10.00 H new ATOM 0 HG1 THR A 55 -5.300 -0.814 5.672 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.942 -0.344 9.093 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.925 -1.738 9.528 1.00 10.00 H new ATOM 0 HG23 THR A 55 -4.221 -0.365 8.641 1.00 10.00 H new ATOM 855 N GLU A 56 -4.936 -4.596 8.160 1.00 10.00 N ATOM 856 CA GLU A 56 -4.815 -5.697 9.084 1.00 10.00 C ATOM 857 C GLU A 56 -3.601 -6.507 8.677 1.00 10.00 C ATOM 858 O GLU A 56 -2.742 -6.755 9.500 1.00 10.00 O ATOM 859 CB GLU A 56 -6.098 -6.533 9.045 1.00 10.00 C ATOM 860 CG GLU A 56 -7.325 -5.694 9.434 1.00 10.00 C ATOM 861 CD GLU A 56 -8.590 -6.539 9.457 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.787 -7.282 8.473 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.335 -6.419 10.453 1.00 10.00 O ATOM 0 H GLU A 56 -5.814 -4.596 7.640 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.683 -5.349 10.109 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.237 -6.942 8.044 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.003 -7.379 9.725 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -7.166 -5.247 10.415 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.446 -4.874 8.726 1.00 10.00 H new ATOM 870 N ASN A 57 -3.503 -6.861 7.395 1.00 10.00 N ATOM 871 CA ASN A 57 -2.401 -7.645 6.849 1.00 10.00 C ATOM 872 C ASN A 57 -1.028 -7.034 7.186 1.00 10.00 C ATOM 873 O ASN A 57 -0.093 -7.738 7.573 1.00 10.00 O ATOM 874 CB ASN A 57 -2.617 -7.795 5.338 1.00 10.00 C ATOM 875 CG ASN A 57 -1.863 -8.992 4.778 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.768 -9.312 5.221 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.441 -9.666 3.793 1.00 10.00 N ATOM 0 H ASN A 57 -4.201 -6.605 6.697 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.395 -8.632 7.312 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.682 -7.907 5.132 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.288 -6.888 4.831 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.972 -10.474 3.384 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.355 -9.376 3.444 1.00 10.00 H new ATOM 884 N PHE A 58 -0.905 -5.709 7.058 1.00 10.00 N ATOM 885 CA PHE A 58 0.314 -4.997 7.427 1.00 10.00 C ATOM 886 C PHE A 58 0.655 -5.217 8.907 1.00 10.00 C ATOM 887 O PHE A 58 1.771 -5.634 9.224 1.00 10.00 O ATOM 888 CB PHE A 58 0.169 -3.507 7.085 1.00 10.00 C ATOM 889 CG PHE A 58 1.414 -2.668 7.311 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.577 -2.919 6.558 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.377 -1.559 8.179 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.692 -2.072 6.670 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.482 -0.692 8.264 1.00 10.00 C ATOM 894 CZ PHE A 58 3.645 -0.955 7.520 1.00 10.00 C ATOM 0 H PHE A 58 -1.645 -5.107 6.698 1.00 10.00 H new ATOM 0 HA PHE A 58 1.148 -5.397 6.851 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -0.125 -3.418 6.039 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.643 -3.091 7.681 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.612 -3.767 5.891 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.499 -1.374 8.780 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.587 -2.280 6.102 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.436 0.178 8.903 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.500 -0.300 7.602 1.00 10.00 H new ATOM 904 N GLU A 59 -0.295 -4.947 9.809 1.00 10.00 N ATOM 905 CA GLU A 59 -0.092 -5.120 11.248 1.00 10.00 C ATOM 906 C GLU A 59 0.254 -6.570 11.596 1.00 10.00 C ATOM 907 O GLU A 59 1.165 -6.842 12.373 1.00 10.00 O ATOM 908 CB GLU A 59 -1.367 -4.712 12.005 1.00 10.00 C ATOM 909 CG GLU A 59 -1.704 -3.219 11.899 1.00 10.00 C ATOM 910 CD GLU A 59 -0.826 -2.332 12.771 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.316 -2.720 13.097 1.00 10.00 O ATOM 912 OE2 GLU A 59 -1.243 -1.181 13.020 1.00 10.00 O ATOM 0 H GLU A 59 -1.223 -4.604 9.561 1.00 10.00 H new ATOM 0 HA GLU A 59 0.743 -4.485 11.545 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -2.206 -5.292 11.621 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.253 -4.975 13.057 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.604 -2.906 10.860 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.747 -3.070 12.178 1.00 10.00 H new ATOM 919 N ASP A 60 -0.507 -7.488 11.008 1.00 10.00 N ATOM 920 CA ASP A 60 -0.475 -8.931 11.169 1.00 10.00 C ATOM 921 C ASP A 60 0.955 -9.442 11.004 1.00 10.00 C ATOM 922 O ASP A 60 1.473 -10.175 11.842 1.00 10.00 O ATOM 923 CB ASP A 60 -1.422 -9.530 10.118 1.00 10.00 C ATOM 924 CG ASP A 60 -1.460 -11.046 10.214 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.100 -11.542 11.165 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.847 -11.675 9.324 1.00 10.00 O ATOM 0 H ASP A 60 -1.229 -7.209 10.344 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.803 -9.228 12.165 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.426 -9.129 10.258 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.097 -9.234 9.121 1.00 10.00 H new ATOM 931 N HIS A 61 1.622 -8.977 9.944 1.00 10.00 N ATOM 932 CA HIS A 61 3.005 -9.332 9.645 1.00 10.00 C ATOM 933 C HIS A 61 4.036 -8.658 10.564 1.00 10.00 C ATOM 934 O HIS A 61 5.232 -8.880 10.390 1.00 10.00 O ATOM 935 CB HIS A 61 3.275 -9.036 8.167 1.00 10.00 C ATOM 936 CG HIS A 61 2.648 -10.065 7.270 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.312 -10.165 6.959 1.00 10.00 N ATOM 938 CD2 HIS A 61 3.269 -11.190 6.796 1.00 10.00 C ATOM 939 CE1 HIS A 61 1.139 -11.325 6.303 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.306 -11.977 6.162 1.00 10.00 N ATOM 0 H HIS A 61 1.210 -8.337 9.265 1.00 10.00 H new ATOM 0 HA HIS A 61 3.128 -10.397 9.842 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.885 -8.049 7.917 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.351 -9.008 7.992 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.587 -9.484 7.185 1.00 10.00 H new ATOM 0 HD2 HIS A 61 4.318 -11.426 6.895 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.189 -11.685 5.938 1.00 10.00 H new ATOM 948 N GLY A 62 3.610 -7.855 11.543 1.00 10.00 N ATOM 949 CA GLY A 62 4.493 -7.274 12.545 1.00 10.00 C ATOM 950 C GLY A 62 5.560 -6.380 11.917 1.00 10.00 C ATOM 951 O GLY A 62 6.727 -6.438 12.299 1.00 10.00 O ATOM 0 H GLY A 62 2.632 -7.590 11.659 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.904 -6.692 13.254 1.00 10.00 H new ATOM 0 HA3 GLY A 62 4.975 -8.072 13.110 1.00 10.00 H new ATOM 955 N HIS A 63 5.152 -5.549 10.955 1.00 10.00 N ATOM 956 CA HIS A 63 6.062 -4.675 10.233 1.00 10.00 C ATOM 957 C HIS A 63 6.784 -3.704 11.171 1.00 10.00 C ATOM 958 O HIS A 63 6.170 -3.121 12.066 1.00 10.00 O ATOM 959 CB HIS A 63 5.292 -3.939 9.138 1.00 10.00 C ATOM 960 CG HIS A 63 5.118 -4.798 7.917 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.087 -5.669 7.663 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.968 -4.833 6.850 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.298 -6.193 6.442 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.428 -5.703 5.901 1.00 10.00 N ATOM 0 H HIS A 63 4.179 -5.468 10.659 1.00 10.00 H new ATOM 0 HA HIS A 63 6.839 -5.283 9.770 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.315 -3.640 9.517 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.823 -3.026 8.869 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.306 -5.880 8.285 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.894 -4.285 6.756 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.648 -6.910 5.961 1.00 10.00 H new ATOM 972 N SER A 64 8.094 -3.544 10.962 1.00 10.00 N ATOM 973 CA SER A 64 8.967 -2.817 11.866 1.00 10.00 C ATOM 974 C SER A 64 8.688 -1.313 11.847 1.00 10.00 C ATOM 975 O SER A 64 8.023 -0.780 10.956 1.00 10.00 O ATOM 976 CB SER A 64 10.440 -3.102 11.532 1.00 10.00 C ATOM 977 OG SER A 64 11.267 -2.599 12.569 1.00 10.00 O ATOM 0 H SER A 64 8.577 -3.924 10.148 1.00 10.00 H new ATOM 0 HA SER A 64 8.760 -3.169 12.877 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.596 -4.174 11.416 1.00 10.00 H new ATOM 0 HB3 SER A 64 10.705 -2.636 10.583 1.00 10.00 H new ATOM 0 HG SER A 64 11.771 -1.826 12.240 1.00 10.00 H new ATOM 983 N THR A 65 9.282 -0.622 12.819 1.00 10.00 N ATOM 984 CA THR A 65 9.363 0.826 12.918 1.00 10.00 C ATOM 985 C THR A 65 9.758 1.438 11.579 1.00 10.00 C ATOM 986 O THR A 65 9.209 2.442 11.140 1.00 10.00 O ATOM 987 CB THR A 65 10.445 1.139 13.969 1.00 10.00 C ATOM 988 OG1 THR A 65 11.430 0.110 14.006 1.00 10.00 O ATOM 989 CG2 THR A 65 9.814 1.203 15.359 1.00 10.00 C ATOM 0 H THR A 65 9.744 -1.088 13.600 1.00 10.00 H new ATOM 0 HA THR A 65 8.397 1.244 13.200 1.00 10.00 H new ATOM 0 HB THR A 65 10.902 2.090 13.696 1.00 10.00 H new ATOM 0 HG1 THR A 65 11.854 0.032 13.126 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.584 1.425 16.098 1.00 10.00 H new ATOM 0 HG22 THR A 65 9.056 1.986 15.379 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.352 0.244 15.593 1.00 10.00 H new ATOM 997 N ASP A 66 10.733 0.806 10.947 1.00 10.00 N ATOM 998 CA ASP A 66 11.405 1.200 9.730 1.00 10.00 C ATOM 999 C ASP A 66 10.393 1.195 8.587 1.00 10.00 C ATOM 1000 O ASP A 66 10.261 2.163 7.839 1.00 10.00 O ATOM 1001 CB ASP A 66 12.552 0.196 9.500 1.00 10.00 C ATOM 1002 CG ASP A 66 13.377 -0.069 10.763 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.765 -0.580 11.739 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.579 0.262 10.744 1.00 10.00 O ATOM 0 H ASP A 66 11.103 -0.073 11.309 1.00 10.00 H new ATOM 0 HA ASP A 66 11.821 2.206 9.790 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.137 -0.745 9.140 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.208 0.576 8.717 1.00 10.00 H new ATOM 1009 N ALA A 67 9.635 0.099 8.492 1.00 10.00 N ATOM 1010 CA ALA A 67 8.581 -0.090 7.521 1.00 10.00 C ATOM 1011 C ALA A 67 7.466 0.915 7.790 1.00 10.00 C ATOM 1012 O ALA A 67 6.880 1.458 6.860 1.00 10.00 O ATOM 1013 CB ALA A 67 8.063 -1.528 7.586 1.00 10.00 C ATOM 0 H ALA A 67 9.751 -0.701 9.114 1.00 10.00 H new ATOM 0 HA ALA A 67 8.966 0.080 6.515 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.269 -1.662 6.851 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.878 -2.219 7.370 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.672 -1.729 8.583 1.00 10.00 H new ATOM 1019 N ARG A 68 7.187 1.173 9.072 1.00 10.00 N ATOM 1020 CA ARG A 68 6.287 2.226 9.513 1.00 10.00 C ATOM 1021 C ARG A 68 6.714 3.571 8.912 1.00 10.00 C ATOM 1022 O ARG A 68 5.961 4.186 8.161 1.00 10.00 O ATOM 1023 CB ARG A 68 6.260 2.273 11.053 1.00 10.00 C ATOM 1024 CG ARG A 68 4.828 2.285 11.590 1.00 10.00 C ATOM 1025 CD ARG A 68 4.258 0.862 11.609 1.00 10.00 C ATOM 1026 NE ARG A 68 2.798 0.892 11.415 1.00 10.00 N ATOM 1027 CZ ARG A 68 1.910 0.024 11.927 1.00 10.00 C ATOM 1028 NH1 ARG A 68 2.320 -1.067 12.579 1.00 10.00 N ATOM 1029 NH2 ARG A 68 0.607 0.269 11.782 1.00 10.00 N ATOM 0 H ARG A 68 7.592 0.641 9.842 1.00 10.00 H new ATOM 0 HA ARG A 68 5.276 2.016 9.164 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.792 1.410 11.453 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.787 3.162 11.400 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.813 2.704 12.596 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.204 2.926 10.968 1.00 10.00 H new ATOM 0 HD2 ARG A 68 4.724 0.266 10.824 1.00 10.00 H new ATOM 0 HD3 ARG A 68 4.496 0.381 12.558 1.00 10.00 H new ATOM 0 HE ARG A 68 2.425 1.645 10.836 1.00 10.00 H new ATOM 0 HH11 ARG A 68 3.317 -1.249 12.693 1.00 10.00 H new ATOM 0 HH12 ARG A 68 1.636 -1.719 12.963 1.00 10.00 H new ATOM 0 HH21 ARG A 68 0.297 1.106 11.288 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -0.080 -0.381 12.165 1.00 10.00 H new ATOM 1043 N GLU A 69 7.925 4.025 9.231 1.00 10.00 N ATOM 1044 CA GLU A 69 8.510 5.256 8.710 1.00 10.00 C ATOM 1045 C GLU A 69 8.364 5.307 7.183 1.00 10.00 C ATOM 1046 O GLU A 69 7.813 6.259 6.618 1.00 10.00 O ATOM 1047 CB GLU A 69 9.975 5.355 9.179 1.00 10.00 C ATOM 1048 CG GLU A 69 10.435 6.806 9.383 1.00 10.00 C ATOM 1049 CD GLU A 69 9.656 7.511 10.485 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.299 6.859 11.493 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.279 8.688 10.295 1.00 10.00 O ATOM 0 H GLU A 69 8.542 3.532 9.877 1.00 10.00 H new ATOM 0 HA GLU A 69 7.980 6.126 9.099 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.091 4.807 10.114 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.621 4.873 8.445 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.497 6.817 9.628 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.318 7.356 8.449 1.00 10.00 H new ATOM 1058 N LEU A 70 8.790 4.231 6.519 1.00 10.00 N ATOM 1059 CA LEU A 70 8.632 4.091 5.082 1.00 10.00 C ATOM 1060 C LEU A 70 7.178 4.328 4.650 1.00 10.00 C ATOM 1061 O LEU A 70 6.910 5.078 3.714 1.00 10.00 O ATOM 1062 CB LEU A 70 9.143 2.714 4.613 1.00 10.00 C ATOM 1063 CG LEU A 70 10.489 2.742 3.869 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.588 3.889 2.856 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.654 2.807 4.859 1.00 10.00 C ATOM 0 H LEU A 70 9.252 3.439 6.966 1.00 10.00 H new ATOM 0 HA LEU A 70 9.238 4.858 4.600 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.238 2.063 5.482 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.393 2.267 3.960 1.00 10.00 H new ATOM 0 HG LEU A 70 10.548 1.812 3.303 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.560 3.856 2.363 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.799 3.785 2.111 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.475 4.842 3.373 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.596 2.826 4.311 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.568 3.710 5.464 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.629 1.932 5.508 1.00 10.00 H new ATOM 1077 N SER A 71 6.221 3.729 5.359 1.00 10.00 N ATOM 1078 CA SER A 71 4.815 3.868 5.027 1.00 10.00 C ATOM 1079 C SER A 71 4.399 5.335 5.090 1.00 10.00 C ATOM 1080 O SER A 71 3.637 5.783 4.238 1.00 10.00 O ATOM 1081 CB SER A 71 3.957 2.899 5.866 1.00 10.00 C ATOM 1082 OG SER A 71 3.572 3.433 7.115 1.00 10.00 O ATOM 0 H SER A 71 6.403 3.140 6.172 1.00 10.00 H new ATOM 0 HA SER A 71 4.638 3.567 3.995 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.063 2.634 5.301 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.516 1.978 6.029 1.00 10.00 H new ATOM 0 HG SER A 71 4.369 3.715 7.610 1.00 10.00 H new ATOM 1088 N LYS A 72 4.955 6.109 6.030 1.00 10.00 N ATOM 1089 CA LYS A 72 4.670 7.537 6.082 1.00 10.00 C ATOM 1090 C LYS A 72 5.042 8.165 4.747 1.00 10.00 C ATOM 1091 O LYS A 72 4.215 8.789 4.090 1.00 10.00 O ATOM 1092 CB LYS A 72 5.433 8.256 7.202 1.00 10.00 C ATOM 1093 CG LYS A 72 5.293 7.564 8.556 1.00 10.00 C ATOM 1094 CD LYS A 72 6.020 8.411 9.609 1.00 10.00 C ATOM 1095 CE LYS A 72 6.147 7.687 10.957 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.205 8.293 11.792 1.00 10.00 N ATOM 0 H LYS A 72 5.593 5.773 6.751 1.00 10.00 H new ATOM 0 HA LYS A 72 3.606 7.649 6.290 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.489 8.314 6.937 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.069 9.280 7.284 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.241 7.453 8.819 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.719 6.561 8.516 1.00 10.00 H new ATOM 0 HD2 LYS A 72 7.014 8.667 9.242 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.482 9.348 9.752 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.195 7.728 11.486 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.372 6.634 10.787 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.809 7.543 12.185 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.782 8.933 11.210 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.769 8.830 12.569 1.00 10.00 H new ATOM 1110 N THR A 73 6.296 7.971 4.336 1.00 10.00 N ATOM 1111 CA THR A 73 6.764 8.593 3.099 1.00 10.00 C ATOM 1112 C THR A 73 6.063 8.027 1.859 1.00 10.00 C ATOM 1113 O THR A 73 6.085 8.676 0.816 1.00 10.00 O ATOM 1114 CB THR A 73 8.297 8.620 2.970 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.650 9.570 1.984 1.00 10.00 O ATOM 1116 CG2 THR A 73 8.933 7.285 2.590 1.00 10.00 C ATOM 0 H THR A 73 6.988 7.404 4.826 1.00 10.00 H new ATOM 0 HA THR A 73 6.469 9.641 3.162 1.00 10.00 H new ATOM 0 HB THR A 73 8.676 8.873 3.960 1.00 10.00 H new ATOM 0 HG1 THR A 73 7.964 9.586 1.284 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.015 7.403 2.523 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.696 6.540 3.349 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.543 6.958 1.626 1.00 10.00 H new ATOM 1124 N PHE A 74 5.461 6.836 1.954 1.00 10.00 N ATOM 1125 CA PHE A 74 4.658 6.264 0.879 1.00 10.00 C ATOM 1126 C PHE A 74 3.243 6.843 0.825 1.00 10.00 C ATOM 1127 O PHE A 74 2.533 6.572 -0.146 1.00 10.00 O ATOM 1128 CB PHE A 74 4.554 4.748 1.047 1.00 10.00 C ATOM 1129 CG PHE A 74 5.840 3.946 1.065 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.004 4.383 0.404 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.795 2.646 1.595 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.132 3.546 0.337 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.876 1.773 1.418 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.082 2.254 0.889 1.00 10.00 C ATOM 0 H PHE A 74 5.520 6.244 2.783 1.00 10.00 H new ATOM 0 HA PHE A 74 5.165 6.517 -0.052 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.024 4.551 1.979 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.932 4.364 0.239 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.030 5.362 -0.052 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.923 2.318 2.141 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.037 3.896 -0.138 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.781 0.732 1.688 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.967 1.636 0.905 1.00 10.00 H new ATOM 1144 N ILE A 75 2.795 7.576 1.855 1.00 10.00 N ATOM 1145 CA ILE A 75 1.462 8.187 1.811 1.00 10.00 C ATOM 1146 C ILE A 75 1.320 9.114 0.603 1.00 10.00 C ATOM 1147 O ILE A 75 2.158 9.985 0.375 1.00 10.00 O ATOM 1148 CB ILE A 75 1.082 8.897 3.125 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.731 7.809 4.143 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.134 9.828 2.966 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.748 8.308 5.590 1.00 10.00 C ATOM 0 H ILE A 75 3.323 7.756 2.709 1.00 10.00 H new ATOM 0 HA ILE A 75 0.748 7.371 1.695 1.00 10.00 H new ATOM 0 HB ILE A 75 1.923 9.514 3.442 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.258 7.412 3.914 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.437 6.985 4.042 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.357 10.302 3.922 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.090 10.595 2.225 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.996 9.247 2.639 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.491 7.488 6.261 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.743 8.679 5.835 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.022 9.113 5.706 1.00 10.00 H new ATOM 1163 N ILE A 76 0.227 8.938 -0.145 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.075 9.692 -1.361 1.00 10.00 C ATOM 1165 C ILE A 76 -1.486 10.293 -1.354 1.00 10.00 C ATOM 1166 O ILE A 76 -1.830 11.050 -2.265 1.00 10.00 O ATOM 1167 CB ILE A 76 0.073 8.762 -2.578 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.591 7.404 -2.284 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.552 8.590 -2.950 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.057 6.681 -3.541 1.00 10.00 C ATOM 0 H ILE A 76 -0.489 8.249 0.086 1.00 10.00 H new ATOM 0 HA ILE A 76 0.629 10.522 -1.413 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.431 9.212 -3.433 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.115 6.770 -1.748 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.444 7.559 -1.624 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.636 7.929 -3.813 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.981 9.562 -3.194 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.091 8.157 -2.107 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.516 5.731 -3.266 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.786 7.298 -4.066 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.203 6.496 -4.192 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.331 9.913 -0.394 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.780 10.031 -0.531 1.00 10.00 C ATOM 1184 C GLY A 77 -4.417 9.321 0.639 1.00 10.00 C ATOM 1185 O GLY A 77 -3.690 8.750 1.454 1.00 10.00 O ATOM 0 H GLY A 77 -2.030 9.517 0.496 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -4.077 11.080 -0.549 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.111 9.590 -1.471 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.750 9.337 0.700 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.504 8.640 1.720 1.00 10.00 C ATOM 1191 C GLU A 78 -7.778 8.075 1.124 1.00 10.00 C ATOM 1192 O GLU A 78 -8.335 8.662 0.201 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.892 9.584 2.863 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.702 10.467 3.297 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.663 10.875 4.758 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -6.531 10.454 5.553 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -4.671 11.524 5.154 1.00 10.00 O ATOM 0 H GLU A 78 -6.333 9.842 0.032 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.873 7.841 2.108 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.721 10.218 2.547 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.243 9.001 3.714 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.779 9.935 3.066 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.708 11.372 2.689 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.222 6.963 1.696 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.383 6.194 1.311 1.00 10.00 C ATOM 1206 C LEU A 79 -10.637 7.008 1.585 1.00 10.00 C ATOM 1207 O LEU A 79 -10.912 7.389 2.722 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.352 4.891 2.112 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.432 3.847 1.797 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.074 3.414 3.105 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.519 4.256 0.816 1.00 10.00 C ATOM 0 H LEU A 79 -7.742 6.552 2.496 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.382 5.957 0.247 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.378 4.425 1.961 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.425 5.143 3.170 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.906 3.040 1.287 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -11.846 2.671 2.903 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.315 2.981 3.757 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -11.522 4.279 3.594 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.217 3.430 0.681 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -12.053 5.123 1.205 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.067 4.509 -0.143 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.386 7.291 0.521 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.493 8.206 0.592 1.00 10.00 C ATOM 1225 C HIS A 80 -13.633 7.702 1.462 1.00 10.00 C ATOM 1226 O HIS A 80 -14.123 6.606 1.234 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.995 8.548 -0.804 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.851 9.774 -0.790 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.223 9.837 -0.703 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.354 11.025 -0.562 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.541 11.117 -0.439 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.435 11.875 -0.331 1.00 10.00 N ATOM 0 H HIS A 80 -11.233 6.888 -0.404 1.00 10.00 H new ATOM 0 HA HIS A 80 -12.116 9.110 1.071 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.146 8.703 -1.470 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.565 7.709 -1.203 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.311 11.306 -0.561 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.550 11.487 -0.328 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.395 12.873 -0.122 1.00 10.00 H new