USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 652 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 44 TYR OH : rot 84:sc= 1.16 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -130:sc= 1.51 (180deg=-0.0632) USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= -0.0343 USER MOD Set 2.2: A 14 GLN : amide:sc= -0.0704 K(o=-0.57,f=-1.7) USER MOD Set 2.3: A 45 HIS : no HD1:sc= -0.468 X(o=-0.57,f=-1) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.693 K(o=-0.69,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.577 K(o=-0.58,f=0.14) USER MOD Single : A 21 ASN : amide:sc= -0.447 X(o=-0.45,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -76:sc= 1 USER MOD Single : A 39 TYR OH : rot -5:sc= -0.487 USER MOD Single : A 42 THR OG1 : rot 49:sc= 0.26! USER MOD Single : A 43 TYR OH : rot -156:sc= 0.902 USER MOD Single : A 50 TYR OH : rot 22:sc= 0.189 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 80:sc= 0.62 USER MOD Single : A 63 TYR OH : rot -143:sc= -0.494 USER MOD Single : A 65 GLN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 75 THR OG1 : rot -65:sc= 0.967 USER MOD Single : A 76 GLN : amide:sc= -0.363 K(o=-0.36,f=-4.3!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.076) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -134:sc= 0.181 (180deg=-0.168) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 -10.847 0.924 9.125 1.00 0.00 N ATOM 72 CA PRO A 6 -9.727 1.037 8.163 1.00 0.00 C ATOM 73 C PRO A 6 -8.332 0.986 8.817 1.00 0.00 C ATOM 74 O PRO A 6 -7.498 0.171 8.417 1.00 0.00 O ATOM 75 CB PRO A 6 -9.984 2.394 7.451 1.00 0.00 C ATOM 76 CG PRO A 6 -11.463 2.590 7.558 1.00 0.00 C ATOM 77 CD PRO A 6 -11.845 2.009 8.903 1.00 0.00 C ATOM 0 HA PRO A 6 -9.708 0.188 7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.439 3.206 7.932 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.660 2.366 6.411 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.726 3.646 7.497 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.987 2.084 6.747 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.798 2.761 9.690 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.863 1.619 8.895 1.00 0.00 H new ATOM 85 N PHE A 7 -8.100 1.851 9.821 1.00 0.00 N ATOM 86 CA PHE A 7 -6.805 1.915 10.530 1.00 0.00 C ATOM 87 C PHE A 7 -6.507 0.638 11.330 1.00 0.00 C ATOM 88 O PHE A 7 -5.347 0.233 11.412 1.00 0.00 O ATOM 89 CB PHE A 7 -6.734 3.153 11.461 1.00 0.00 C ATOM 90 CG PHE A 7 -5.366 3.341 12.135 1.00 0.00 C ATOM 91 CD1 PHE A 7 -4.268 3.805 11.399 1.00 0.00 C ATOM 92 CD2 PHE A 7 -5.166 3.022 13.479 1.00 0.00 C ATOM 93 CE1 PHE A 7 -3.027 3.956 11.989 1.00 0.00 C ATOM 94 CE2 PHE A 7 -3.922 3.169 14.064 1.00 0.00 C ATOM 95 CZ PHE A 7 -2.855 3.634 13.320 1.00 0.00 C ATOM 0 H PHE A 7 -8.793 2.517 10.162 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.040 2.007 9.759 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.970 4.046 10.882 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.499 3.061 12.232 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.393 4.049 10.354 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.993 2.656 14.069 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.194 4.325 11.410 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.784 2.920 15.106 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.885 3.746 13.781 1.00 0.00 H new ATOM 105 N THR A 8 -7.540 0.028 11.932 1.00 0.00 N ATOM 106 CA THR A 8 -7.354 -1.142 12.812 1.00 0.00 C ATOM 107 C THR A 8 -6.853 -2.366 12.007 1.00 0.00 C ATOM 108 O THR A 8 -5.884 -3.019 12.407 1.00 0.00 O ATOM 109 CB THR A 8 -8.666 -1.489 13.581 1.00 0.00 C ATOM 110 OG1 THR A 8 -9.110 -0.328 14.295 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.475 -2.649 14.578 1.00 0.00 C ATOM 0 H THR A 8 -8.511 0.323 11.827 1.00 0.00 H new ATOM 0 HA THR A 8 -6.594 -0.882 13.548 1.00 0.00 H new ATOM 0 HB THR A 8 -9.406 -1.805 12.845 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.936 -0.538 14.780 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.418 -2.850 15.087 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.155 -3.542 14.041 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.717 -2.376 15.313 1.00 0.00 H new ATOM 119 N ARG A 9 -7.504 -2.629 10.853 1.00 0.00 N ATOM 120 CA ARG A 9 -7.154 -3.757 9.951 1.00 0.00 C ATOM 121 C ARG A 9 -5.844 -3.460 9.181 1.00 0.00 C ATOM 122 O ARG A 9 -5.133 -4.377 8.792 1.00 0.00 O ATOM 123 CB ARG A 9 -8.334 -4.043 8.983 1.00 0.00 C ATOM 124 CG ARG A 9 -8.668 -2.884 8.021 1.00 0.00 C ATOM 125 CD ARG A 9 -10.122 -2.895 7.524 1.00 0.00 C ATOM 126 NE ARG A 9 -10.463 -4.079 6.732 1.00 0.00 N ATOM 127 CZ ARG A 9 -11.672 -4.307 6.201 1.00 0.00 C ATOM 128 NH1 ARG A 9 -12.686 -3.456 6.382 1.00 0.00 N ATOM 129 NH2 ARG A 9 -11.871 -5.386 5.481 1.00 0.00 N ATOM 0 H ARG A 9 -8.287 -2.068 10.517 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.980 -4.651 10.550 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.098 -4.930 8.395 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.221 -4.277 9.571 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.472 -1.937 8.525 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.999 -2.932 7.162 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.791 -2.838 8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.298 -2.003 6.923 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.734 -4.774 6.575 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.549 -2.610 6.935 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.597 -3.652 5.967 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.108 -6.045 5.328 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.789 -5.565 5.074 1.00 0.00 H new ATOM 143 N TYR A 10 -5.568 -2.157 8.967 1.00 0.00 N ATOM 144 CA TYR A 10 -4.306 -1.658 8.369 1.00 0.00 C ATOM 145 C TYR A 10 -3.110 -2.006 9.273 1.00 0.00 C ATOM 146 O TYR A 10 -2.117 -2.593 8.821 1.00 0.00 O ATOM 147 CB TYR A 10 -4.420 -0.120 8.163 1.00 0.00 C ATOM 148 CG TYR A 10 -3.115 0.617 7.819 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.482 0.431 6.590 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.524 1.505 8.729 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.312 1.095 6.286 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.357 2.167 8.421 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.758 1.963 7.199 1.00 0.00 C ATOM 154 OH TYR A 10 0.403 2.623 6.891 1.00 0.00 O ATOM 0 H TYR A 10 -6.221 -1.411 9.206 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.141 -2.137 7.404 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.139 0.067 7.366 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.831 0.318 9.072 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.915 -0.243 5.866 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.992 1.672 9.688 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.831 0.934 5.332 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.913 2.844 9.136 1.00 0.00 H new ATOM 0 HH TYR A 10 0.661 3.198 7.641 1.00 0.00 H new ATOM 164 N ALA A 11 -3.243 -1.627 10.551 1.00 0.00 N ATOM 165 CA ALA A 11 -2.242 -1.882 11.595 1.00 0.00 C ATOM 166 C ALA A 11 -2.085 -3.393 11.832 1.00 0.00 C ATOM 167 O ALA A 11 -0.968 -3.894 12.019 1.00 0.00 O ATOM 168 CB ALA A 11 -2.648 -1.153 12.889 1.00 0.00 C ATOM 0 H ALA A 11 -4.063 -1.126 10.894 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.275 -1.497 11.270 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.904 -1.343 13.663 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.708 -0.081 12.699 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.620 -1.518 13.222 1.00 0.00 H new ATOM 174 N LEU A 12 -3.224 -4.106 11.771 1.00 0.00 N ATOM 175 CA LEU A 12 -3.285 -5.563 11.962 1.00 0.00 C ATOM 176 C LEU A 12 -2.573 -6.285 10.807 1.00 0.00 C ATOM 177 O LEU A 12 -1.919 -7.311 11.016 1.00 0.00 O ATOM 178 CB LEU A 12 -4.763 -6.029 12.065 1.00 0.00 C ATOM 179 CG LEU A 12 -4.997 -7.552 12.320 1.00 0.00 C ATOM 180 CD1 LEU A 12 -4.348 -8.019 13.644 1.00 0.00 C ATOM 181 CD2 LEU A 12 -6.502 -7.898 12.272 1.00 0.00 C ATOM 0 H LEU A 12 -4.133 -3.683 11.586 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.775 -5.815 12.892 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.241 -5.471 12.870 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.272 -5.756 11.141 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.505 -8.098 11.515 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.534 -9.084 13.784 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.274 -7.840 13.606 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.779 -7.463 14.476 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.636 -8.965 12.453 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.030 -7.331 13.038 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.903 -7.643 11.291 1.00 0.00 H new ATOM 193 N ALA A 13 -2.696 -5.720 9.592 1.00 0.00 N ATOM 194 CA ALA A 13 -2.061 -6.256 8.378 1.00 0.00 C ATOM 195 C ALA A 13 -0.533 -6.128 8.468 1.00 0.00 C ATOM 196 O ALA A 13 0.192 -7.046 8.092 1.00 0.00 O ATOM 197 CB ALA A 13 -2.611 -5.546 7.135 1.00 0.00 C ATOM 0 H ALA A 13 -3.242 -4.875 9.426 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.299 -7.316 8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.133 -5.951 6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.688 -5.703 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.403 -4.478 7.204 1.00 0.00 H new ATOM 203 N GLN A 14 -0.060 -4.979 8.987 1.00 0.00 N ATOM 204 CA GLN A 14 1.372 -4.746 9.276 1.00 0.00 C ATOM 205 C GLN A 14 1.930 -5.799 10.260 1.00 0.00 C ATOM 206 O GLN A 14 3.088 -6.216 10.146 1.00 0.00 O ATOM 207 CB GLN A 14 1.576 -3.313 9.836 1.00 0.00 C ATOM 208 CG GLN A 14 1.259 -2.192 8.829 1.00 0.00 C ATOM 209 CD GLN A 14 1.380 -0.798 9.436 1.00 0.00 C ATOM 210 OE1 GLN A 14 0.402 -0.233 9.921 1.00 0.00 O ATOM 211 NE2 GLN A 14 2.591 -0.259 9.464 1.00 0.00 N ATOM 0 H GLN A 14 -0.658 -4.185 9.218 1.00 0.00 H new ATOM 0 HA GLN A 14 1.926 -4.844 8.342 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.945 -3.185 10.716 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.609 -3.208 10.167 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.936 -2.272 7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.248 -2.330 8.446 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.380 -0.756 9.052 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.733 0.653 9.898 1.00 0.00 H new ATOM 220 N GLU A 15 1.091 -6.228 11.215 1.00 0.00 N ATOM 221 CA GLU A 15 1.450 -7.290 12.175 1.00 0.00 C ATOM 222 C GLU A 15 1.442 -8.674 11.492 1.00 0.00 C ATOM 223 O GLU A 15 2.292 -9.520 11.787 1.00 0.00 O ATOM 224 CB GLU A 15 0.481 -7.260 13.376 1.00 0.00 C ATOM 225 CG GLU A 15 0.476 -5.912 14.123 1.00 0.00 C ATOM 226 CD GLU A 15 -0.521 -5.861 15.287 1.00 0.00 C ATOM 227 OE1 GLU A 15 -1.738 -5.732 15.039 1.00 0.00 O ATOM 228 OE2 GLU A 15 -0.097 -5.946 16.457 1.00 0.00 O ATOM 0 H GLU A 15 0.151 -5.854 11.346 1.00 0.00 H new ATOM 0 HA GLU A 15 2.461 -7.108 12.538 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.528 -7.477 13.025 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.753 -8.053 14.073 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.478 -5.713 14.504 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.240 -5.116 13.417 1.00 0.00 H new ATOM 235 N HIS A 16 0.486 -8.882 10.556 1.00 0.00 N ATOM 236 CA HIS A 16 0.391 -10.128 9.761 1.00 0.00 C ATOM 237 C HIS A 16 1.666 -10.346 8.922 1.00 0.00 C ATOM 238 O HIS A 16 2.115 -11.480 8.775 1.00 0.00 O ATOM 239 CB HIS A 16 -0.870 -10.139 8.844 1.00 0.00 C ATOM 240 CG HIS A 16 -2.173 -10.383 9.562 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.395 -11.490 10.353 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.322 -9.670 9.607 1.00 0.00 C ATOM 243 CE1 HIS A 16 -3.610 -11.443 10.849 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.195 -10.351 10.415 1.00 0.00 N ATOM 0 H HIS A 16 -0.235 -8.196 10.332 1.00 0.00 H new ATOM 0 HA HIS A 16 0.293 -10.951 10.469 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.932 -9.183 8.324 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.741 -10.908 8.083 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.516 -8.736 9.100 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.053 -12.179 11.504 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.145 -10.057 10.642 1.00 0.00 H new ATOM 253 N LEU A 17 2.241 -9.244 8.408 1.00 0.00 N ATOM 254 CA LEU A 17 3.527 -9.256 7.673 1.00 0.00 C ATOM 255 C LEU A 17 4.645 -9.915 8.501 1.00 0.00 C ATOM 256 O LEU A 17 5.371 -10.788 8.013 1.00 0.00 O ATOM 257 CB LEU A 17 3.944 -7.799 7.309 1.00 0.00 C ATOM 258 CG LEU A 17 3.053 -7.078 6.255 1.00 0.00 C ATOM 259 CD1 LEU A 17 3.447 -5.590 6.080 1.00 0.00 C ATOM 260 CD2 LEU A 17 3.114 -7.827 4.918 1.00 0.00 C ATOM 0 H LEU A 17 1.828 -8.315 8.489 1.00 0.00 H new ATOM 0 HA LEU A 17 3.384 -9.841 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.946 -7.204 8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.969 -7.817 6.938 1.00 0.00 H new ATOM 0 HG LEU A 17 2.026 -7.089 6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.799 -5.127 5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.336 -5.070 7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.484 -5.525 5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.488 -7.316 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.144 -7.851 4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.754 -8.846 5.055 1.00 0.00 H new ATOM 272 N LYS A 18 4.727 -9.499 9.773 1.00 0.00 N ATOM 273 CA LYS A 18 5.798 -9.912 10.698 1.00 0.00 C ATOM 274 C LYS A 18 5.617 -11.372 11.152 1.00 0.00 C ATOM 275 O LYS A 18 6.592 -12.059 11.455 1.00 0.00 O ATOM 276 CB LYS A 18 5.827 -8.960 11.921 1.00 0.00 C ATOM 277 CG LYS A 18 5.930 -7.464 11.541 1.00 0.00 C ATOM 278 CD LYS A 18 6.057 -6.523 12.763 1.00 0.00 C ATOM 279 CE LYS A 18 7.379 -6.714 13.527 1.00 0.00 C ATOM 280 NZ LYS A 18 7.503 -5.787 14.679 1.00 0.00 N ATOM 0 H LYS A 18 4.049 -8.863 10.193 1.00 0.00 H new ATOM 0 HA LYS A 18 6.750 -9.850 10.171 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.924 -9.114 12.512 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.673 -9.224 12.556 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.794 -7.321 10.891 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.048 -7.182 10.966 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.982 -5.488 12.429 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.222 -6.700 13.441 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.445 -7.742 13.882 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.215 -6.557 12.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.409 -5.953 15.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.467 -4.805 14.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.721 -5.953 15.344 1.00 0.00 H new ATOM 294 N HIS A 19 4.353 -11.830 11.186 1.00 0.00 N ATOM 295 CA HIS A 19 3.989 -13.218 11.578 1.00 0.00 C ATOM 296 C HIS A 19 3.828 -14.141 10.353 1.00 0.00 C ATOM 297 O HIS A 19 3.272 -15.242 10.476 1.00 0.00 O ATOM 298 CB HIS A 19 2.693 -13.202 12.428 1.00 0.00 C ATOM 299 CG HIS A 19 2.869 -12.596 13.797 1.00 0.00 C ATOM 300 ND1 HIS A 19 2.894 -13.345 14.954 1.00 0.00 N ATOM 301 CD2 HIS A 19 3.037 -11.311 14.189 1.00 0.00 C ATOM 302 CE1 HIS A 19 3.059 -12.550 15.988 1.00 0.00 C ATOM 303 NE2 HIS A 19 3.151 -11.313 15.549 1.00 0.00 N ATOM 0 H HIS A 19 3.548 -11.253 10.943 1.00 0.00 H new ATOM 0 HA HIS A 19 4.806 -13.623 12.176 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.925 -12.646 11.891 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.329 -14.224 12.537 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.074 -10.445 13.545 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.110 -12.859 17.021 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.286 -10.487 16.132 1.00 0.00 H new ATOM 312 N ASP A 20 4.310 -13.675 9.176 1.00 0.00 N ATOM 313 CA ASP A 20 4.367 -14.458 7.908 1.00 0.00 C ATOM 314 C ASP A 20 2.953 -14.721 7.304 1.00 0.00 C ATOM 315 O ASP A 20 2.809 -15.422 6.300 1.00 0.00 O ATOM 316 CB ASP A 20 5.200 -15.776 8.098 1.00 0.00 C ATOM 317 CG ASP A 20 5.453 -16.563 6.796 1.00 0.00 C ATOM 318 OD1 ASP A 20 6.211 -16.070 5.933 1.00 0.00 O ATOM 319 OD2 ASP A 20 4.871 -17.661 6.617 1.00 0.00 O ATOM 0 H ASP A 20 4.677 -12.729 9.074 1.00 0.00 H new ATOM 0 HA ASP A 20 4.890 -13.849 7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.160 -15.523 8.548 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.678 -16.423 8.804 1.00 0.00 H new ATOM 324 N ASN A 21 1.908 -14.106 7.888 1.00 0.00 N ATOM 325 CA ASN A 21 0.537 -14.105 7.324 1.00 0.00 C ATOM 326 C ASN A 21 0.422 -12.991 6.256 1.00 0.00 C ATOM 327 O ASN A 21 -0.513 -12.184 6.276 1.00 0.00 O ATOM 328 CB ASN A 21 -0.512 -13.905 8.470 1.00 0.00 C ATOM 329 CG ASN A 21 -0.686 -15.112 9.401 1.00 0.00 C ATOM 330 OD1 ASN A 21 -0.845 -14.953 10.611 1.00 0.00 O ATOM 331 ND2 ASN A 21 -0.726 -16.317 8.849 1.00 0.00 N ATOM 0 H ASN A 21 1.986 -13.593 8.766 1.00 0.00 H new ATOM 0 HA ASN A 21 0.332 -15.063 6.847 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.216 -13.043 9.068 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.477 -13.667 8.023 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.892 -17.139 9.430 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.591 -16.422 7.843 1.00 0.00 H new ATOM 338 N ALA A 22 1.376 -12.987 5.300 1.00 0.00 N ATOM 339 CA ALA A 22 1.506 -11.941 4.277 1.00 0.00 C ATOM 340 C ALA A 22 0.322 -11.959 3.299 1.00 0.00 C ATOM 341 O ALA A 22 -0.004 -10.931 2.741 1.00 0.00 O ATOM 342 CB ALA A 22 2.843 -12.089 3.529 1.00 0.00 C ATOM 0 H ALA A 22 2.082 -13.719 5.221 1.00 0.00 H new ATOM 0 HA ALA A 22 1.495 -10.974 4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.926 -11.307 2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.667 -11.999 4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.884 -13.065 3.046 1.00 0.00 H new ATOM 348 N SER A 23 -0.280 -13.149 3.082 1.00 0.00 N ATOM 349 CA SER A 23 -1.527 -13.303 2.299 1.00 0.00 C ATOM 350 C SER A 23 -2.720 -12.581 2.971 1.00 0.00 C ATOM 351 O SER A 23 -3.520 -11.938 2.282 1.00 0.00 O ATOM 352 CB SER A 23 -1.851 -14.799 2.092 1.00 0.00 C ATOM 353 OG SER A 23 -0.767 -15.484 1.481 1.00 0.00 O ATOM 0 H SER A 23 0.084 -14.030 3.444 1.00 0.00 H new ATOM 0 HA SER A 23 -1.365 -12.836 1.327 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.079 -15.260 3.053 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.742 -14.898 1.472 1.00 0.00 H new ATOM 0 HG SER A 23 -1.001 -16.429 1.365 1.00 0.00 H new ATOM 359 N ARG A 24 -2.827 -12.693 4.314 1.00 0.00 N ATOM 360 CA ARG A 24 -3.849 -11.976 5.113 1.00 0.00 C ATOM 361 C ARG A 24 -3.587 -10.462 5.118 1.00 0.00 C ATOM 362 O ARG A 24 -4.525 -9.667 5.072 1.00 0.00 O ATOM 363 CB ARG A 24 -3.886 -12.529 6.578 1.00 0.00 C ATOM 364 CG ARG A 24 -4.793 -13.762 6.779 1.00 0.00 C ATOM 365 CD ARG A 24 -6.263 -13.415 6.492 1.00 0.00 C ATOM 366 NE ARG A 24 -7.192 -14.523 6.754 1.00 0.00 N ATOM 367 CZ ARG A 24 -8.495 -14.522 6.414 1.00 0.00 C ATOM 368 NH1 ARG A 24 -9.023 -13.516 5.714 1.00 0.00 N ATOM 369 NH2 ARG A 24 -9.274 -15.529 6.777 1.00 0.00 N ATOM 0 H ARG A 24 -2.210 -13.281 4.874 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.820 -12.148 4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.871 -12.788 6.880 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.223 -11.734 7.243 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.470 -14.567 6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.695 -14.128 7.801 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.551 -12.559 7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.359 -13.111 5.450 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.825 -15.349 7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.438 -12.731 5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.012 -13.532 5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.887 -16.305 7.314 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.261 -15.529 6.520 1.00 0.00 H new ATOM 383 N ALA A 25 -2.301 -10.089 5.185 1.00 0.00 N ATOM 384 CA ALA A 25 -1.862 -8.688 5.151 1.00 0.00 C ATOM 385 C ALA A 25 -2.173 -8.071 3.785 1.00 0.00 C ATOM 386 O ALA A 25 -2.697 -6.958 3.698 1.00 0.00 O ATOM 387 CB ALA A 25 -0.364 -8.613 5.441 1.00 0.00 C ATOM 0 H ALA A 25 -1.533 -10.755 5.265 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.399 -8.125 5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.040 -7.573 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.163 -9.031 6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.181 -9.181 4.688 1.00 0.00 H new ATOM 393 N LEU A 26 -1.901 -8.868 2.735 1.00 0.00 N ATOM 394 CA LEU A 26 -2.069 -8.474 1.332 1.00 0.00 C ATOM 395 C LEU A 26 -3.545 -8.204 1.071 1.00 0.00 C ATOM 396 O LEU A 26 -3.901 -7.159 0.554 1.00 0.00 O ATOM 397 CB LEU A 26 -1.547 -9.594 0.379 1.00 0.00 C ATOM 398 CG LEU A 26 -1.418 -9.228 -1.131 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.344 -8.150 -1.361 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.135 -10.488 -1.989 1.00 0.00 C ATOM 0 H LEU A 26 -1.552 -9.820 2.845 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.489 -7.572 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.568 -9.915 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.214 -10.452 0.465 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.374 -8.812 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.282 -7.920 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.610 -7.248 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.621 -8.518 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.050 -10.203 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.203 -10.949 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.953 -11.199 -1.872 1.00 0.00 H new ATOM 412 N ALA A 27 -4.375 -9.172 1.498 1.00 0.00 N ATOM 413 CA ALA A 27 -5.838 -9.121 1.383 1.00 0.00 C ATOM 414 C ALA A 27 -6.421 -7.873 2.058 1.00 0.00 C ATOM 415 O ALA A 27 -7.199 -7.157 1.435 1.00 0.00 O ATOM 416 CB ALA A 27 -6.450 -10.396 1.975 1.00 0.00 C ATOM 0 H ALA A 27 -4.038 -10.027 1.941 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.092 -9.059 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.536 -10.353 1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.076 -11.265 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.174 -10.478 3.026 1.00 0.00 H new ATOM 422 N LEU A 28 -6.001 -7.611 3.321 1.00 0.00 N ATOM 423 CA LEU A 28 -6.489 -6.454 4.115 1.00 0.00 C ATOM 424 C LEU A 28 -6.164 -5.119 3.433 1.00 0.00 C ATOM 425 O LEU A 28 -7.000 -4.215 3.424 1.00 0.00 O ATOM 426 CB LEU A 28 -5.920 -6.478 5.570 1.00 0.00 C ATOM 427 CG LEU A 28 -6.558 -7.527 6.538 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.881 -7.491 7.930 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.089 -7.312 6.656 1.00 0.00 C ATOM 0 H LEU A 28 -5.321 -8.189 3.814 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.574 -6.545 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.848 -6.667 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.047 -5.487 6.005 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.389 -8.517 6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.347 -8.232 8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.820 -7.717 7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.999 -6.499 8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.509 -8.054 7.335 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.287 -6.313 7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.548 -7.418 5.673 1.00 0.00 H new ATOM 441 N PHE A 29 -4.957 -5.019 2.856 1.00 0.00 N ATOM 442 CA PHE A 29 -4.521 -3.822 2.124 1.00 0.00 C ATOM 443 C PHE A 29 -5.304 -3.671 0.785 1.00 0.00 C ATOM 444 O PHE A 29 -5.771 -2.581 0.460 1.00 0.00 O ATOM 445 CB PHE A 29 -2.992 -3.851 1.857 1.00 0.00 C ATOM 446 CG PHE A 29 -2.067 -3.724 3.078 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.338 -2.817 4.104 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.907 -4.503 3.185 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.485 -2.697 5.192 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.058 -4.381 4.273 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.347 -3.481 5.275 1.00 0.00 C ATOM 0 H PHE A 29 -4.259 -5.762 2.884 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.739 -2.957 2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.755 -4.785 1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.754 -3.042 1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.223 -2.201 4.050 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.670 -5.212 2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.710 -1.990 5.977 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.831 -4.992 4.336 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.313 -3.387 6.124 1.00 0.00 H new ATOM 461 N GLU A 30 -5.454 -4.775 0.029 1.00 0.00 N ATOM 462 CA GLU A 30 -6.220 -4.794 -1.246 1.00 0.00 C ATOM 463 C GLU A 30 -7.692 -4.401 -1.021 1.00 0.00 C ATOM 464 O GLU A 30 -8.304 -3.737 -1.872 1.00 0.00 O ATOM 465 CB GLU A 30 -6.124 -6.195 -1.914 1.00 0.00 C ATOM 466 CG GLU A 30 -4.706 -6.576 -2.380 1.00 0.00 C ATOM 467 CD GLU A 30 -4.607 -8.001 -2.952 1.00 0.00 C ATOM 468 OE1 GLU A 30 -4.663 -8.972 -2.170 1.00 0.00 O ATOM 469 OE2 GLU A 30 -4.497 -8.163 -4.190 1.00 0.00 O ATOM 0 H GLU A 30 -5.052 -5.679 0.278 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.778 -4.056 -1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.477 -6.947 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.796 -6.223 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.379 -5.865 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.019 -6.483 -1.539 1.00 0.00 H new ATOM 476 N GLU A 31 -8.233 -4.803 0.147 1.00 0.00 N ATOM 477 CA GLU A 31 -9.569 -4.417 0.599 1.00 0.00 C ATOM 478 C GLU A 31 -9.620 -2.902 0.811 1.00 0.00 C ATOM 479 O GLU A 31 -10.432 -2.228 0.203 1.00 0.00 O ATOM 480 CB GLU A 31 -9.932 -5.178 1.915 1.00 0.00 C ATOM 481 CG GLU A 31 -10.296 -6.668 1.706 1.00 0.00 C ATOM 482 CD GLU A 31 -10.425 -7.483 3.013 1.00 0.00 C ATOM 483 OE1 GLU A 31 -11.515 -7.490 3.621 1.00 0.00 O ATOM 484 OE2 GLU A 31 -9.443 -8.135 3.431 1.00 0.00 O ATOM 0 H GLU A 31 -7.743 -5.411 0.804 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.302 -4.687 -0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.089 -5.115 2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.772 -4.674 2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.238 -6.726 1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.535 -7.131 1.077 1.00 0.00 H new ATOM 491 N LEU A 32 -8.690 -2.386 1.620 1.00 0.00 N ATOM 492 CA LEU A 32 -8.611 -0.953 1.965 1.00 0.00 C ATOM 493 C LEU A 32 -8.522 -0.030 0.727 1.00 0.00 C ATOM 494 O LEU A 32 -9.099 1.052 0.743 1.00 0.00 O ATOM 495 CB LEU A 32 -7.408 -0.710 2.902 1.00 0.00 C ATOM 496 CG LEU A 32 -7.565 -1.253 4.350 1.00 0.00 C ATOM 497 CD1 LEU A 32 -6.233 -1.200 5.133 1.00 0.00 C ATOM 498 CD2 LEU A 32 -8.687 -0.497 5.085 1.00 0.00 C ATOM 0 H LEU A 32 -7.963 -2.950 2.060 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.541 -0.696 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.525 -1.166 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.221 0.363 2.953 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.846 -2.304 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.387 -1.588 6.140 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.485 -1.806 4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.886 -0.168 5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.786 -0.888 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.443 0.565 5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.627 -0.632 4.551 1.00 0.00 H new ATOM 510 N VAL A 33 -7.783 -0.456 -0.319 1.00 0.00 N ATOM 511 CA VAL A 33 -7.677 0.287 -1.595 1.00 0.00 C ATOM 512 C VAL A 33 -9.044 0.378 -2.313 1.00 0.00 C ATOM 513 O VAL A 33 -9.501 1.481 -2.654 1.00 0.00 O ATOM 514 CB VAL A 33 -6.587 -0.379 -2.537 1.00 0.00 C ATOM 515 CG1 VAL A 33 -6.640 0.147 -3.993 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.173 -0.178 -1.947 1.00 0.00 C ATOM 0 H VAL A 33 -7.244 -1.322 -0.304 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.360 1.304 -1.364 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.819 -1.443 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.870 -0.347 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.620 -0.065 -4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.467 1.223 -3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.436 -0.640 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.963 0.888 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.121 -0.640 -0.961 1.00 0.00 H new ATOM 526 N GLU A 34 -9.680 -0.785 -2.553 1.00 0.00 N ATOM 527 CA GLU A 34 -10.948 -0.855 -3.316 1.00 0.00 C ATOM 528 C GLU A 34 -12.149 -0.271 -2.533 1.00 0.00 C ATOM 529 O GLU A 34 -13.078 0.275 -3.135 1.00 0.00 O ATOM 530 CB GLU A 34 -11.245 -2.318 -3.749 1.00 0.00 C ATOM 531 CG GLU A 34 -11.485 -3.298 -2.581 1.00 0.00 C ATOM 532 CD GLU A 34 -11.782 -4.730 -3.028 1.00 0.00 C ATOM 533 OE1 GLU A 34 -10.829 -5.516 -3.225 1.00 0.00 O ATOM 534 OE2 GLU A 34 -12.971 -5.082 -3.185 1.00 0.00 O ATOM 0 H GLU A 34 -9.339 -1.691 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.815 -0.237 -4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.123 -2.321 -4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.409 -2.683 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.606 -3.303 -1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.318 -2.935 -1.980 1.00 0.00 H new ATOM 541 N THR A 35 -12.133 -0.375 -1.192 1.00 0.00 N ATOM 542 CA THR A 35 -13.261 0.050 -0.343 1.00 0.00 C ATOM 543 C THR A 35 -13.148 1.544 -0.014 1.00 0.00 C ATOM 544 O THR A 35 -14.144 2.276 -0.034 1.00 0.00 O ATOM 545 CB THR A 35 -13.313 -0.780 0.991 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.099 -0.594 1.740 1.00 0.00 O ATOM 547 CG2 THR A 35 -13.510 -2.291 0.732 1.00 0.00 C ATOM 0 H THR A 35 -11.343 -0.753 -0.669 1.00 0.00 H new ATOM 0 HA THR A 35 -14.181 -0.130 -0.899 1.00 0.00 H new ATOM 0 HB THR A 35 -14.169 -0.414 1.557 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.378 -1.116 1.329 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.540 -2.822 1.683 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.447 -2.450 0.198 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.682 -2.668 0.131 1.00 0.00 H new ATOM 555 N ASP A 36 -11.911 1.983 0.271 1.00 0.00 N ATOM 556 CA ASP A 36 -11.612 3.366 0.673 1.00 0.00 C ATOM 557 C ASP A 36 -10.416 3.878 -0.167 1.00 0.00 C ATOM 558 O ASP A 36 -9.254 3.763 0.251 1.00 0.00 O ATOM 559 CB ASP A 36 -11.312 3.440 2.200 1.00 0.00 C ATOM 560 CG ASP A 36 -11.453 4.861 2.747 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.483 5.634 2.704 1.00 0.00 O ATOM 562 OD2 ASP A 36 -12.558 5.213 3.213 1.00 0.00 O ATOM 0 H ASP A 36 -11.086 1.384 0.229 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.476 4.004 0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.992 2.777 2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.301 3.079 2.388 1.00 0.00 H new ATOM 567 N PRO A 37 -10.679 4.434 -1.390 1.00 0.00 N ATOM 568 CA PRO A 37 -9.607 4.823 -2.332 1.00 0.00 C ATOM 569 C PRO A 37 -8.811 6.061 -1.864 1.00 0.00 C ATOM 570 O PRO A 37 -7.748 6.352 -2.400 1.00 0.00 O ATOM 571 CB PRO A 37 -10.378 5.081 -3.652 1.00 0.00 C ATOM 572 CG PRO A 37 -11.739 5.520 -3.212 1.00 0.00 C ATOM 573 CD PRO A 37 -12.029 4.745 -1.941 1.00 0.00 C ATOM 0 HA PRO A 37 -8.838 4.056 -2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.889 5.847 -4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.430 4.180 -4.264 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.764 6.594 -3.030 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.485 5.309 -3.978 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.620 5.335 -1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.594 3.836 -2.148 1.00 0.00 H new ATOM 581 N ASP A 38 -9.311 6.754 -0.831 1.00 0.00 N ATOM 582 CA ASP A 38 -8.685 7.979 -0.292 1.00 0.00 C ATOM 583 C ASP A 38 -7.917 7.683 1.015 1.00 0.00 C ATOM 584 O ASP A 38 -7.643 8.596 1.803 1.00 0.00 O ATOM 585 CB ASP A 38 -9.777 9.068 -0.092 1.00 0.00 C ATOM 586 CG ASP A 38 -10.869 8.680 0.916 1.00 0.00 C ATOM 587 OD1 ASP A 38 -11.702 7.796 0.599 1.00 0.00 O ATOM 588 OD2 ASP A 38 -10.919 9.267 2.021 1.00 0.00 O ATOM 0 H ASP A 38 -10.164 6.483 -0.341 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.950 8.354 -1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.300 9.989 0.242 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.244 9.281 -1.054 1.00 0.00 H new ATOM 593 N TYR A 39 -7.508 6.408 1.199 1.00 0.00 N ATOM 594 CA TYR A 39 -6.708 5.972 2.360 1.00 0.00 C ATOM 595 C TYR A 39 -5.265 5.726 1.859 1.00 0.00 C ATOM 596 O TYR A 39 -4.938 4.622 1.403 1.00 0.00 O ATOM 597 CB TYR A 39 -7.310 4.684 3.001 1.00 0.00 C ATOM 598 CG TYR A 39 -6.781 4.372 4.409 1.00 0.00 C ATOM 599 CD1 TYR A 39 -5.611 3.643 4.595 1.00 0.00 C ATOM 600 CD2 TYR A 39 -7.442 4.830 5.549 1.00 0.00 C ATOM 601 CE1 TYR A 39 -5.126 3.367 5.849 1.00 0.00 C ATOM 602 CE2 TYR A 39 -6.958 4.556 6.810 1.00 0.00 C ATOM 603 CZ TYR A 39 -5.803 3.824 6.954 1.00 0.00 C ATOM 604 OH TYR A 39 -5.317 3.553 8.210 1.00 0.00 O ATOM 0 H TYR A 39 -7.724 5.655 0.546 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.713 6.737 3.136 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.394 4.788 3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.099 3.836 2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.071 3.285 3.731 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -8.348 5.409 5.442 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.218 2.794 5.966 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.484 4.915 7.682 1.00 0.00 H new ATOM 0 HH TYR A 39 -4.537 2.964 8.139 1.00 0.00 H new ATOM 614 N VAL A 40 -4.419 6.767 1.937 1.00 0.00 N ATOM 615 CA VAL A 40 -3.074 6.785 1.301 1.00 0.00 C ATOM 616 C VAL A 40 -2.097 5.767 1.940 1.00 0.00 C ATOM 617 O VAL A 40 -1.287 5.146 1.231 1.00 0.00 O ATOM 618 CB VAL A 40 -2.463 8.235 1.368 1.00 0.00 C ATOM 619 CG1 VAL A 40 -1.069 8.306 0.705 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.433 9.268 0.739 1.00 0.00 C ATOM 0 H VAL A 40 -4.641 7.625 2.442 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.209 6.489 0.261 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.329 8.485 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.685 9.324 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.388 7.626 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.150 8.019 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.992 10.263 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.613 9.010 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.377 9.259 1.283 1.00 0.00 H new ATOM 630 N GLY A 41 -2.214 5.597 3.274 1.00 0.00 N ATOM 631 CA GLY A 41 -1.309 4.741 4.062 1.00 0.00 C ATOM 632 C GLY A 41 -1.223 3.310 3.560 1.00 0.00 C ATOM 633 O GLY A 41 -0.139 2.709 3.539 1.00 0.00 O ATOM 0 H GLY A 41 -2.938 6.050 3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.311 5.179 4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.644 4.732 5.099 1.00 0.00 H new ATOM 637 N THR A 42 -2.370 2.786 3.121 1.00 0.00 N ATOM 638 CA THR A 42 -2.482 1.431 2.592 1.00 0.00 C ATOM 639 C THR A 42 -1.602 1.221 1.350 1.00 0.00 C ATOM 640 O THR A 42 -0.886 0.226 1.273 1.00 0.00 O ATOM 641 CB THR A 42 -3.961 1.111 2.246 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.724 1.081 3.449 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.110 -0.223 1.518 1.00 0.00 C ATOM 0 H THR A 42 -3.253 3.297 3.124 1.00 0.00 H new ATOM 0 HA THR A 42 -2.130 0.751 3.368 1.00 0.00 H new ATOM 0 HB THR A 42 -4.323 1.891 1.577 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.528 1.880 3.981 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.162 -0.402 1.298 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.544 -0.194 0.587 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.730 -1.026 2.149 1.00 0.00 H new ATOM 651 N TYR A 43 -1.645 2.192 0.415 1.00 0.00 N ATOM 652 CA TYR A 43 -1.019 2.064 -0.919 1.00 0.00 C ATOM 653 C TYR A 43 0.490 1.765 -0.832 1.00 0.00 C ATOM 654 O TYR A 43 0.993 0.860 -1.508 1.00 0.00 O ATOM 655 CB TYR A 43 -1.264 3.345 -1.752 1.00 0.00 C ATOM 656 CG TYR A 43 -2.719 3.532 -2.204 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.184 2.912 -3.364 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.622 4.324 -1.493 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.474 3.073 -3.793 1.00 0.00 C ATOM 660 CE2 TYR A 43 -4.922 4.485 -1.929 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.334 3.857 -3.081 1.00 0.00 C ATOM 662 OH TYR A 43 -6.616 4.018 -3.527 1.00 0.00 O ATOM 0 H TYR A 43 -2.114 3.086 0.562 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.488 1.214 -1.415 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.964 4.211 -1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.622 3.321 -2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.511 2.291 -3.937 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.299 4.818 -0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.810 2.580 -4.693 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.611 5.100 -1.369 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.984 4.853 -3.169 1.00 0.00 H new ATOM 672 N TYR A 44 1.184 2.561 -0.013 1.00 0.00 N ATOM 673 CA TYR A 44 2.622 2.403 0.265 1.00 0.00 C ATOM 674 C TYR A 44 2.966 0.986 0.774 1.00 0.00 C ATOM 675 O TYR A 44 3.853 0.325 0.236 1.00 0.00 O ATOM 676 CB TYR A 44 3.053 3.488 1.290 1.00 0.00 C ATOM 677 CG TYR A 44 4.570 3.601 1.497 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.395 4.081 0.474 1.00 0.00 C ATOM 679 CD2 TYR A 44 5.178 3.238 2.702 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.758 4.188 0.648 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.542 3.347 2.873 1.00 0.00 C ATOM 682 CZ TYR A 44 7.327 3.821 1.846 1.00 0.00 C ATOM 683 OH TYR A 44 8.687 3.932 2.014 1.00 0.00 O ATOM 0 H TYR A 44 0.761 3.345 0.484 1.00 0.00 H new ATOM 0 HA TYR A 44 3.175 2.533 -0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.671 4.454 0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.583 3.271 2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.956 4.373 -0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.569 2.866 3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.378 4.559 -0.154 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.994 3.061 3.811 1.00 0.00 H new ATOM 0 HH TYR A 44 8.910 4.849 2.276 1.00 0.00 H new ATOM 693 N HIS A 45 2.201 0.529 1.773 1.00 0.00 N ATOM 694 CA HIS A 45 2.470 -0.742 2.487 1.00 0.00 C ATOM 695 C HIS A 45 2.076 -1.963 1.632 1.00 0.00 C ATOM 696 O HIS A 45 2.722 -3.022 1.700 1.00 0.00 O ATOM 697 CB HIS A 45 1.757 -0.735 3.868 1.00 0.00 C ATOM 698 CG HIS A 45 2.325 0.288 4.823 1.00 0.00 C ATOM 699 ND1 HIS A 45 2.903 -0.048 6.025 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.426 1.633 4.731 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.327 1.048 6.624 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.051 2.081 5.859 1.00 0.00 N ATOM 0 H HIS A 45 1.377 1.024 2.115 1.00 0.00 H new ATOM 0 HA HIS A 45 3.542 -0.826 2.664 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.695 -0.536 3.721 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.837 -1.725 4.316 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.075 2.244 3.912 1.00 0.00 H new ATOM 0 HE1 HIS A 45 3.820 1.090 7.584 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.268 3.055 6.073 1.00 0.00 H new ATOM 711 N LEU A 46 1.041 -1.779 0.797 1.00 0.00 N ATOM 712 CA LEU A 46 0.537 -2.811 -0.121 1.00 0.00 C ATOM 713 C LEU A 46 1.545 -3.043 -1.254 1.00 0.00 C ATOM 714 O LEU A 46 1.834 -4.192 -1.619 1.00 0.00 O ATOM 715 CB LEU A 46 -0.845 -2.396 -0.711 1.00 0.00 C ATOM 716 CG LEU A 46 -1.470 -3.371 -1.768 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.588 -4.818 -1.242 1.00 0.00 C ATOM 718 CD2 LEU A 46 -2.835 -2.865 -2.270 1.00 0.00 C ATOM 0 H LEU A 46 0.526 -0.900 0.740 1.00 0.00 H new ATOM 0 HA LEU A 46 0.408 -3.738 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.550 -2.287 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.739 -1.414 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.779 -3.387 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.027 -5.451 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.598 -5.193 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.223 -4.833 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.237 -3.567 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.524 -2.782 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.712 -1.887 -2.736 1.00 0.00 H new ATOM 730 N GLY A 47 2.086 -1.932 -1.780 1.00 0.00 N ATOM 731 CA GLY A 47 3.019 -1.972 -2.893 1.00 0.00 C ATOM 732 C GLY A 47 4.365 -2.535 -2.474 1.00 0.00 C ATOM 733 O GLY A 47 4.993 -3.268 -3.241 1.00 0.00 O ATOM 0 H GLY A 47 1.884 -0.992 -1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.603 -2.581 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.153 -0.967 -3.293 1.00 0.00 H new ATOM 737 N LYS A 48 4.807 -2.180 -1.241 1.00 0.00 N ATOM 738 CA LYS A 48 6.066 -2.698 -0.651 1.00 0.00 C ATOM 739 C LYS A 48 5.997 -4.216 -0.486 1.00 0.00 C ATOM 740 O LYS A 48 6.995 -4.906 -0.670 1.00 0.00 O ATOM 741 CB LYS A 48 6.392 -2.018 0.716 1.00 0.00 C ATOM 742 CG LYS A 48 6.854 -0.542 0.619 1.00 0.00 C ATOM 743 CD LYS A 48 8.079 -0.356 -0.311 1.00 0.00 C ATOM 744 CE LYS A 48 8.677 1.060 -0.273 1.00 0.00 C ATOM 745 NZ LYS A 48 9.309 1.344 1.040 1.00 0.00 N ATOM 0 H LYS A 48 4.305 -1.532 -0.633 1.00 0.00 H new ATOM 0 HA LYS A 48 6.873 -2.452 -1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.506 -2.065 1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.171 -2.595 1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.029 0.069 0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.102 -0.177 1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.850 -1.074 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.785 -0.589 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.418 1.166 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.894 1.793 -0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.962 2.255 1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.066 0.589 1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.342 1.387 0.926 1.00 0.00 H new ATOM 759 N LEU A 49 4.798 -4.720 -0.145 1.00 0.00 N ATOM 760 CA LEU A 49 4.558 -6.164 -0.026 1.00 0.00 C ATOM 761 C LEU A 49 4.561 -6.825 -1.422 1.00 0.00 C ATOM 762 O LEU A 49 5.085 -7.933 -1.583 1.00 0.00 O ATOM 763 CB LEU A 49 3.235 -6.441 0.729 1.00 0.00 C ATOM 764 CG LEU A 49 2.841 -7.946 0.920 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.990 -8.780 1.553 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.539 -8.063 1.743 1.00 0.00 C ATOM 0 H LEU A 49 3.980 -4.144 0.053 1.00 0.00 H new ATOM 0 HA LEU A 49 5.366 -6.605 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.301 -5.978 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.426 -5.942 0.195 1.00 0.00 H new ATOM 0 HG LEU A 49 2.662 -8.367 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.669 -9.816 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.867 -8.740 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.241 -8.370 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.280 -9.115 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.686 -7.608 2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.732 -7.549 1.222 1.00 0.00 H new ATOM 778 N TYR A 50 3.992 -6.122 -2.422 1.00 0.00 N ATOM 779 CA TYR A 50 3.992 -6.571 -3.833 1.00 0.00 C ATOM 780 C TYR A 50 5.436 -6.723 -4.369 1.00 0.00 C ATOM 781 O TYR A 50 5.725 -7.670 -5.099 1.00 0.00 O ATOM 782 CB TYR A 50 3.199 -5.588 -4.741 1.00 0.00 C ATOM 783 CG TYR A 50 1.666 -5.720 -4.733 1.00 0.00 C ATOM 784 CD1 TYR A 50 1.050 -6.969 -4.731 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.839 -4.594 -4.802 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.322 -7.091 -4.797 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.532 -4.716 -4.858 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.107 -5.964 -4.856 1.00 0.00 C ATOM 789 OH TYR A 50 -2.473 -6.085 -4.924 1.00 0.00 O ATOM 0 H TYR A 50 3.520 -5.229 -2.277 1.00 0.00 H new ATOM 0 HA TYR A 50 3.500 -7.543 -3.860 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.454 -4.571 -4.444 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.546 -5.717 -5.766 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.659 -7.859 -4.677 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.284 -3.610 -4.812 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.779 -8.070 -4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.153 -3.834 -4.903 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.741 -6.963 -4.581 1.00 0.00 H new ATOM 799 N GLU A 51 6.329 -5.787 -3.988 1.00 0.00 N ATOM 800 CA GLU A 51 7.766 -5.821 -4.370 1.00 0.00 C ATOM 801 C GLU A 51 8.427 -7.150 -3.925 1.00 0.00 C ATOM 802 O GLU A 51 9.247 -7.730 -4.640 1.00 0.00 O ATOM 803 CB GLU A 51 8.541 -4.644 -3.720 1.00 0.00 C ATOM 804 CG GLU A 51 8.115 -3.218 -4.148 1.00 0.00 C ATOM 805 CD GLU A 51 8.971 -2.096 -3.506 1.00 0.00 C ATOM 806 OE1 GLU A 51 9.623 -2.338 -2.467 1.00 0.00 O ATOM 807 OE2 GLU A 51 9.006 -0.961 -4.034 1.00 0.00 O ATOM 0 H GLU A 51 6.081 -4.986 -3.408 1.00 0.00 H new ATOM 0 HA GLU A 51 7.811 -5.735 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.435 -4.722 -2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.600 -4.766 -3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.181 -3.138 -5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.070 -3.064 -3.880 1.00 0.00 H new ATOM 814 N ARG A 52 8.025 -7.611 -2.736 1.00 0.00 N ATOM 815 CA ARG A 52 8.582 -8.812 -2.082 1.00 0.00 C ATOM 816 C ARG A 52 7.963 -10.098 -2.665 1.00 0.00 C ATOM 817 O ARG A 52 8.618 -11.139 -2.724 1.00 0.00 O ATOM 818 CB ARG A 52 8.318 -8.715 -0.558 1.00 0.00 C ATOM 819 CG ARG A 52 8.816 -7.397 0.077 1.00 0.00 C ATOM 820 CD ARG A 52 8.305 -7.188 1.513 1.00 0.00 C ATOM 821 NE ARG A 52 8.533 -5.807 1.969 1.00 0.00 N ATOM 822 CZ ARG A 52 8.462 -5.389 3.238 1.00 0.00 C ATOM 823 NH1 ARG A 52 8.254 -6.251 4.230 1.00 0.00 N ATOM 824 NH2 ARG A 52 8.625 -4.108 3.510 1.00 0.00 N ATOM 0 H ARG A 52 7.293 -7.158 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 52 9.655 -8.859 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.248 -8.813 -0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.804 -9.554 -0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.906 -7.392 0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.496 -6.559 -0.542 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.240 -7.417 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.809 -7.883 2.185 1.00 0.00 H new ATOM 0 HE ARG A 52 8.764 -5.112 1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.146 -7.245 4.028 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.202 -5.918 5.193 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.804 -3.445 2.756 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.572 -3.781 4.475 1.00 0.00 H new ATOM 838 N LEU A 53 6.695 -10.003 -3.095 1.00 0.00 N ATOM 839 CA LEU A 53 5.937 -11.133 -3.685 1.00 0.00 C ATOM 840 C LEU A 53 6.140 -11.244 -5.213 1.00 0.00 C ATOM 841 O LEU A 53 5.408 -11.992 -5.874 1.00 0.00 O ATOM 842 CB LEU A 53 4.430 -10.969 -3.345 1.00 0.00 C ATOM 843 CG LEU A 53 4.057 -11.014 -1.829 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.548 -10.764 -1.615 1.00 0.00 C ATOM 845 CD2 LEU A 53 4.501 -12.346 -1.182 1.00 0.00 C ATOM 0 H LEU A 53 6.158 -9.137 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 53 6.318 -12.058 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.088 -10.018 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.875 -11.755 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 53 4.598 -10.209 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.320 -10.802 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.282 -9.783 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.975 -11.531 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.227 -12.347 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.008 -13.177 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.581 -12.454 -1.277 1.00 0.00 H new ATOM 857 N ASP A 54 7.127 -10.481 -5.759 1.00 0.00 N ATOM 858 CA ASP A 54 7.472 -10.454 -7.212 1.00 0.00 C ATOM 859 C ASP A 54 6.326 -9.823 -8.064 1.00 0.00 C ATOM 860 O ASP A 54 6.373 -9.812 -9.293 1.00 0.00 O ATOM 861 CB ASP A 54 7.875 -11.889 -7.708 1.00 0.00 C ATOM 862 CG ASP A 54 8.548 -11.930 -9.102 1.00 0.00 C ATOM 863 OD1 ASP A 54 9.766 -11.679 -9.187 1.00 0.00 O ATOM 864 OD2 ASP A 54 7.872 -12.234 -10.109 1.00 0.00 O ATOM 0 H ASP A 54 7.712 -9.861 -5.199 1.00 0.00 H new ATOM 0 HA ASP A 54 8.339 -9.808 -7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.554 -12.332 -6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.982 -12.513 -7.733 1.00 0.00 H new ATOM 869 N ARG A 55 5.335 -9.227 -7.382 1.00 0.00 N ATOM 870 CA ARG A 55 4.146 -8.614 -8.001 1.00 0.00 C ATOM 871 C ARG A 55 4.402 -7.114 -8.271 1.00 0.00 C ATOM 872 O ARG A 55 3.554 -6.264 -7.987 1.00 0.00 O ATOM 873 CB ARG A 55 2.923 -8.812 -7.059 1.00 0.00 C ATOM 874 CG ARG A 55 2.549 -10.279 -6.756 1.00 0.00 C ATOM 875 CD ARG A 55 2.147 -11.061 -8.015 1.00 0.00 C ATOM 876 NE ARG A 55 1.030 -10.420 -8.721 1.00 0.00 N ATOM 877 CZ ARG A 55 0.423 -10.893 -9.816 1.00 0.00 C ATOM 878 NH1 ARG A 55 0.783 -12.041 -10.377 1.00 0.00 N ATOM 879 NH2 ARG A 55 -0.541 -10.177 -10.364 1.00 0.00 N ATOM 0 H ARG A 55 5.337 -9.156 -6.364 1.00 0.00 H new ATOM 0 HA ARG A 55 3.936 -9.094 -8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.127 -8.305 -6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.059 -8.320 -7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.395 -10.775 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.725 -10.300 -6.042 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.004 -11.138 -8.684 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.867 -12.077 -7.738 1.00 0.00 H new ATOM 0 HE ARG A 55 0.687 -9.537 -8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.542 -12.590 -9.974 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.300 -12.374 -11.211 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.809 -9.283 -9.953 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.018 -10.518 -11.199 1.00 0.00 H new ATOM 893 N THR A 56 5.576 -6.820 -8.858 1.00 0.00 N ATOM 894 CA THR A 56 6.050 -5.446 -9.100 1.00 0.00 C ATOM 895 C THR A 56 5.081 -4.645 -10.000 1.00 0.00 C ATOM 896 O THR A 56 4.901 -3.448 -9.791 1.00 0.00 O ATOM 897 CB THR A 56 7.469 -5.450 -9.733 1.00 0.00 C ATOM 898 OG1 THR A 56 8.353 -6.259 -8.952 1.00 0.00 O ATOM 899 CG2 THR A 56 8.057 -4.040 -9.873 1.00 0.00 C ATOM 0 H THR A 56 6.228 -7.536 -9.180 1.00 0.00 H new ATOM 0 HA THR A 56 6.091 -4.955 -8.128 1.00 0.00 H new ATOM 0 HB THR A 56 7.367 -5.864 -10.736 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.244 -6.257 -9.360 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.049 -4.102 -10.321 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.409 -3.437 -10.509 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.131 -3.577 -8.889 1.00 0.00 H new ATOM 907 N ASP A 57 4.430 -5.331 -10.957 1.00 0.00 N ATOM 908 CA ASP A 57 3.436 -4.712 -11.866 1.00 0.00 C ATOM 909 C ASP A 57 2.278 -4.099 -11.061 1.00 0.00 C ATOM 910 O ASP A 57 1.859 -2.953 -11.292 1.00 0.00 O ATOM 911 CB ASP A 57 2.898 -5.761 -12.867 1.00 0.00 C ATOM 912 CG ASP A 57 4.012 -6.403 -13.705 1.00 0.00 C ATOM 913 OD1 ASP A 57 4.407 -5.819 -14.738 1.00 0.00 O ATOM 914 OD2 ASP A 57 4.507 -7.484 -13.323 1.00 0.00 O ATOM 0 H ASP A 57 4.574 -6.327 -11.125 1.00 0.00 H new ATOM 0 HA ASP A 57 3.928 -3.916 -12.425 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.365 -6.539 -12.321 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.176 -5.287 -13.532 1.00 0.00 H new ATOM 919 N ASP A 58 1.827 -4.877 -10.072 1.00 0.00 N ATOM 920 CA ASP A 58 0.737 -4.505 -9.165 1.00 0.00 C ATOM 921 C ASP A 58 1.215 -3.401 -8.205 1.00 0.00 C ATOM 922 O ASP A 58 0.436 -2.524 -7.836 1.00 0.00 O ATOM 923 CB ASP A 58 0.255 -5.746 -8.367 1.00 0.00 C ATOM 924 CG ASP A 58 -0.049 -6.955 -9.265 1.00 0.00 C ATOM 925 OD1 ASP A 58 0.907 -7.648 -9.661 1.00 0.00 O ATOM 926 OD2 ASP A 58 -1.229 -7.207 -9.591 1.00 0.00 O ATOM 0 H ASP A 58 2.216 -5.799 -9.876 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.101 -4.126 -9.750 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.019 -6.023 -7.640 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.641 -5.484 -7.804 1.00 0.00 H new ATOM 931 N ALA A 59 2.511 -3.461 -7.814 1.00 0.00 N ATOM 932 CA ALA A 59 3.144 -2.448 -6.946 1.00 0.00 C ATOM 933 C ALA A 59 3.063 -1.062 -7.594 1.00 0.00 C ATOM 934 O ALA A 59 2.563 -0.128 -6.977 1.00 0.00 O ATOM 935 CB ALA A 59 4.611 -2.823 -6.634 1.00 0.00 C ATOM 0 H ALA A 59 3.142 -4.212 -8.093 1.00 0.00 H new ATOM 0 HA ALA A 59 2.599 -2.420 -6.002 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.053 -2.060 -5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.640 -3.786 -6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.176 -2.887 -7.564 1.00 0.00 H new ATOM 941 N ILE A 60 3.511 -0.966 -8.866 1.00 0.00 N ATOM 942 CA ILE A 60 3.547 0.310 -9.630 1.00 0.00 C ATOM 943 C ILE A 60 2.131 0.880 -9.787 1.00 0.00 C ATOM 944 O ILE A 60 1.926 2.092 -9.677 1.00 0.00 O ATOM 945 CB ILE A 60 4.200 0.145 -11.066 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.566 -0.610 -10.988 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.377 1.524 -11.770 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.564 0.002 -10.030 1.00 0.00 C ATOM 0 H ILE A 60 3.858 -1.767 -9.394 1.00 0.00 H new ATOM 0 HA ILE A 60 4.169 0.996 -9.056 1.00 0.00 H new ATOM 0 HB ILE A 60 3.515 -0.456 -11.664 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.380 -1.642 -10.690 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.008 -0.640 -11.984 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.827 1.376 -12.752 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.404 2.001 -11.885 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.024 2.160 -11.166 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.483 -0.584 -10.038 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.783 1.025 -10.337 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.146 0.007 -9.023 1.00 0.00 H new ATOM 960 N ASP A 61 1.173 -0.029 -10.030 1.00 0.00 N ATOM 961 CA ASP A 61 -0.250 0.317 -10.165 1.00 0.00 C ATOM 962 C ASP A 61 -0.784 0.948 -8.865 1.00 0.00 C ATOM 963 O ASP A 61 -1.433 1.991 -8.897 1.00 0.00 O ATOM 964 CB ASP A 61 -1.077 -0.946 -10.533 1.00 0.00 C ATOM 965 CG ASP A 61 -2.572 -0.646 -10.743 1.00 0.00 C ATOM 966 OD1 ASP A 61 -2.912 -0.015 -11.764 1.00 0.00 O ATOM 967 OD2 ASP A 61 -3.407 -1.014 -9.887 1.00 0.00 O ATOM 0 H ASP A 61 1.364 -1.025 -10.138 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.352 1.049 -10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.670 -1.388 -11.442 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.969 -1.688 -9.742 1.00 0.00 H new ATOM 972 N THR A 62 -0.457 0.306 -7.729 1.00 0.00 N ATOM 973 CA THR A 62 -0.902 0.726 -6.389 1.00 0.00 C ATOM 974 C THR A 62 -0.237 2.056 -5.961 1.00 0.00 C ATOM 975 O THR A 62 -0.867 2.895 -5.316 1.00 0.00 O ATOM 976 CB THR A 62 -0.614 -0.418 -5.355 1.00 0.00 C ATOM 977 OG1 THR A 62 -1.352 -1.590 -5.735 1.00 0.00 O ATOM 978 CG2 THR A 62 -0.994 -0.040 -3.916 1.00 0.00 C ATOM 0 H THR A 62 0.130 -0.528 -7.716 1.00 0.00 H new ATOM 0 HA THR A 62 -1.976 0.908 -6.420 1.00 0.00 H new ATOM 0 HB THR A 62 0.461 -0.599 -5.370 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.875 -2.059 -6.451 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.770 -0.873 -3.250 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.423 0.835 -3.607 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.059 0.187 -3.869 1.00 0.00 H new ATOM 986 N TYR A 63 1.030 2.250 -6.353 1.00 0.00 N ATOM 987 CA TYR A 63 1.770 3.488 -6.062 1.00 0.00 C ATOM 988 C TYR A 63 1.191 4.657 -6.874 1.00 0.00 C ATOM 989 O TYR A 63 0.983 5.732 -6.328 1.00 0.00 O ATOM 990 CB TYR A 63 3.282 3.325 -6.357 1.00 0.00 C ATOM 991 CG TYR A 63 4.033 2.345 -5.436 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.833 2.344 -4.052 1.00 0.00 C ATOM 993 CD2 TYR A 63 4.973 1.447 -5.950 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.544 1.493 -3.229 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.672 0.592 -5.131 1.00 0.00 C ATOM 996 CZ TYR A 63 5.458 0.622 -3.780 1.00 0.00 C ATOM 997 OH TYR A 63 6.183 -0.204 -2.972 1.00 0.00 O ATOM 0 H TYR A 63 1.568 1.560 -6.877 1.00 0.00 H new ATOM 0 HA TYR A 63 1.658 3.703 -4.999 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.400 2.991 -7.388 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.757 4.303 -6.283 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.110 3.020 -3.619 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.154 1.424 -7.014 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.385 1.510 -2.161 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.386 -0.100 -5.552 1.00 0.00 H new ATOM 0 HH TYR A 63 7.093 -0.291 -3.325 1.00 0.00 H new ATOM 1007 N ALA A 64 0.933 4.416 -8.177 1.00 0.00 N ATOM 1008 CA ALA A 64 0.365 5.417 -9.110 1.00 0.00 C ATOM 1009 C ALA A 64 -1.062 5.839 -8.695 1.00 0.00 C ATOM 1010 O ALA A 64 -1.417 7.022 -8.780 1.00 0.00 O ATOM 1011 CB ALA A 64 0.373 4.862 -10.545 1.00 0.00 C ATOM 0 H ALA A 64 1.114 3.514 -8.616 1.00 0.00 H new ATOM 0 HA ALA A 64 0.990 6.309 -9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.046 5.604 -11.224 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.397 4.636 -10.842 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.226 3.952 -10.587 1.00 0.00 H new ATOM 1017 N GLN A 65 -1.861 4.842 -8.263 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.200 5.056 -7.665 1.00 0.00 C ATOM 1019 C GLN A 65 -3.078 5.911 -6.398 1.00 0.00 C ATOM 1020 O GLN A 65 -3.880 6.820 -6.156 1.00 0.00 O ATOM 1021 CB GLN A 65 -3.878 3.686 -7.323 1.00 0.00 C ATOM 1022 CG GLN A 65 -4.566 2.964 -8.508 1.00 0.00 C ATOM 1023 CD GLN A 65 -5.992 3.459 -8.843 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -6.821 2.685 -9.315 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.304 4.731 -8.618 1.00 0.00 N ATOM 0 H GLN A 65 -1.596 3.859 -8.318 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.823 5.578 -8.391 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.122 3.021 -6.906 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.620 3.854 -6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.942 3.078 -9.394 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.612 1.898 -8.286 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.608 5.365 -8.226 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.239 5.073 -8.838 1.00 0.00 H new ATOM 1034 N GLY A 66 -2.069 5.561 -5.600 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.728 6.272 -4.386 1.00 0.00 C ATOM 1036 C GLY A 66 -1.362 7.728 -4.621 1.00 0.00 C ATOM 1037 O GLY A 66 -1.810 8.573 -3.877 1.00 0.00 O ATOM 0 H GLY A 66 -1.462 4.763 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.571 6.224 -3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.891 5.768 -3.902 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.576 8.001 -5.678 1.00 0.00 N ATOM 1042 CA ILE A 67 -0.058 9.357 -6.005 1.00 0.00 C ATOM 1043 C ILE A 67 -1.213 10.366 -6.196 1.00 0.00 C ATOM 1044 O ILE A 67 -1.145 11.503 -5.707 1.00 0.00 O ATOM 1045 CB ILE A 67 0.865 9.292 -7.295 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.214 8.568 -6.966 1.00 0.00 C ATOM 1047 CG2 ILE A 67 1.124 10.686 -7.933 1.00 0.00 C ATOM 1048 CD1 ILE A 67 3.098 8.303 -8.166 1.00 0.00 C ATOM 0 H ILE A 67 -0.275 7.285 -6.340 1.00 0.00 H new ATOM 0 HA ILE A 67 0.544 9.707 -5.166 1.00 0.00 H new ATOM 0 HB ILE A 67 0.321 8.713 -8.041 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.770 9.172 -6.249 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.992 7.619 -6.479 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.761 10.572 -8.810 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.175 11.132 -8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.618 11.332 -7.207 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.009 7.799 -7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.566 7.671 -8.877 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.356 9.248 -8.644 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.285 9.900 -6.860 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.487 10.707 -7.154 1.00 0.00 C ATOM 1062 C GLU A 68 -4.134 11.220 -5.850 1.00 0.00 C ATOM 1063 O GLU A 68 -4.452 12.400 -5.714 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.500 9.842 -7.954 1.00 0.00 C ATOM 1065 CG GLU A 68 -3.920 9.225 -9.248 1.00 0.00 C ATOM 1066 CD GLU A 68 -4.893 8.285 -9.976 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.257 7.242 -9.400 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.293 8.573 -11.126 1.00 0.00 O ATOM 0 H GLU A 68 -2.344 8.944 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.197 11.573 -7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.862 9.039 -7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.362 10.457 -8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.631 10.029 -9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.012 8.674 -9.002 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.306 10.294 -4.905 1.00 0.00 N ATOM 1076 CA VAL A 69 -4.933 10.568 -3.599 1.00 0.00 C ATOM 1077 C VAL A 69 -3.918 11.104 -2.555 1.00 0.00 C ATOM 1078 O VAL A 69 -4.318 11.641 -1.537 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.711 9.313 -3.064 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.799 8.880 -4.084 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.767 8.138 -2.717 1.00 0.00 C ATOM 0 H VAL A 69 -4.014 9.324 -5.020 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.660 11.364 -3.758 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.199 9.601 -2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.331 8.009 -3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.503 9.698 -4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.328 8.628 -5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.354 7.295 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.217 7.838 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.064 8.452 -1.945 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.614 10.896 -2.802 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.527 11.269 -1.851 1.00 0.00 C ATOM 1093 C ALA A 70 -1.312 12.776 -1.813 1.00 0.00 C ATOM 1094 O ALA A 70 -1.088 13.354 -0.754 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.220 10.561 -2.204 1.00 0.00 C ATOM 0 H ALA A 70 -2.273 10.466 -3.662 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.842 10.944 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.554 10.852 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.367 9.482 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.086 10.844 -3.211 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.339 13.392 -2.996 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.226 14.853 -3.139 1.00 0.00 C ATOM 1103 C ARG A 71 -2.451 15.581 -2.529 1.00 0.00 C ATOM 1104 O ARG A 71 -2.300 16.648 -1.928 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.037 15.224 -4.640 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.130 14.675 -5.575 1.00 0.00 C ATOM 1107 CD ARG A 71 -1.891 14.982 -7.061 1.00 0.00 C ATOM 1108 NE ARG A 71 -2.963 14.398 -7.893 1.00 0.00 N ATOM 1109 CZ ARG A 71 -3.997 15.071 -8.432 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -4.103 16.387 -8.294 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -4.916 14.412 -9.119 1.00 0.00 N ATOM 0 H ARG A 71 -1.439 12.898 -3.883 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.350 15.187 -2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.009 16.310 -4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.069 14.851 -4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.198 13.595 -5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.092 15.093 -5.278 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.852 16.061 -7.213 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.925 14.582 -7.370 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.916 13.396 -8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.395 16.904 -7.773 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.893 16.881 -8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.838 13.402 -9.237 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.703 14.914 -9.531 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.652 14.976 -2.674 1.00 0.00 N ATOM 1126 CA GLU A 72 -4.926 15.609 -2.264 1.00 0.00 C ATOM 1127 C GLU A 72 -5.285 15.312 -0.790 1.00 0.00 C ATOM 1128 O GLU A 72 -5.455 16.228 0.021 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.066 15.102 -3.196 1.00 0.00 C ATOM 1130 CG GLU A 72 -5.827 15.336 -4.704 1.00 0.00 C ATOM 1131 CD GLU A 72 -5.644 16.822 -5.065 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -6.642 17.577 -5.012 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -4.510 17.246 -5.381 1.00 0.00 O ATOM 0 H GLU A 72 -3.765 14.045 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.807 16.689 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.206 14.034 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.995 15.594 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.942 14.781 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.670 14.933 -5.266 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.362 14.014 -0.465 1.00 0.00 N ATOM 1141 CA GLU A 73 -5.851 13.509 0.841 1.00 0.00 C ATOM 1142 C GLU A 73 -4.709 13.369 1.846 1.00 0.00 C ATOM 1143 O GLU A 73 -4.886 13.648 3.036 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.555 12.136 0.636 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.678 12.153 -0.422 1.00 0.00 C ATOM 1146 CD GLU A 73 -8.868 13.057 -0.047 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -8.848 14.263 -0.369 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -9.838 12.561 0.570 1.00 0.00 O ATOM 0 H GLU A 73 -5.085 13.270 -1.105 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.562 14.230 1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.808 11.397 0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.973 11.809 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.264 12.488 -1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.039 11.136 -0.572 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.539 12.912 1.368 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.358 12.755 2.221 1.00 0.00 C ATOM 1157 C GLY A 74 -1.494 14.007 2.233 1.00 0.00 C ATOM 1158 O GLY A 74 -1.889 15.052 1.694 1.00 0.00 O ATOM 0 H GLY A 74 -3.390 12.646 0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.674 12.522 3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.767 11.910 1.870 1.00 0.00 H new ATOM 1162 N THR A 75 -0.314 13.906 2.855 1.00 0.00 N ATOM 1163 CA THR A 75 0.660 15.004 2.912 1.00 0.00 C ATOM 1164 C THR A 75 1.549 15.010 1.647 1.00 0.00 C ATOM 1165 O THR A 75 1.473 14.093 0.812 1.00 0.00 O ATOM 1166 CB THR A 75 1.556 14.883 4.191 1.00 0.00 C ATOM 1167 OG1 THR A 75 2.363 13.696 4.128 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.722 14.855 5.484 1.00 0.00 C ATOM 0 H THR A 75 -0.006 13.060 3.334 1.00 0.00 H new ATOM 0 HA THR A 75 0.107 15.942 2.958 1.00 0.00 H new ATOM 0 HB THR A 75 2.193 15.767 4.214 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.784 12.905 4.150 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.387 14.770 6.344 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.142 15.775 5.563 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.046 14.000 5.462 1.00 0.00 H new ATOM 1176 N GLN A 76 2.397 16.050 1.521 1.00 0.00 N ATOM 1177 CA GLN A 76 3.422 16.130 0.457 1.00 0.00 C ATOM 1178 C GLN A 76 4.454 14.996 0.629 1.00 0.00 C ATOM 1179 O GLN A 76 5.015 14.495 -0.350 1.00 0.00 O ATOM 1180 CB GLN A 76 4.122 17.519 0.486 1.00 0.00 C ATOM 1181 CG GLN A 76 5.116 17.804 -0.674 1.00 0.00 C ATOM 1182 CD GLN A 76 4.460 18.003 -2.057 1.00 0.00 C ATOM 1183 OE1 GLN A 76 3.407 17.446 -2.360 1.00 0.00 O ATOM 1184 NE2 GLN A 76 5.083 18.803 -2.913 1.00 0.00 N ATOM 0 H GLN A 76 2.393 16.854 2.149 1.00 0.00 H new ATOM 0 HA GLN A 76 2.936 16.012 -0.512 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.353 18.292 0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.659 17.614 1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.691 18.697 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.823 16.977 -0.739 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.956 19.257 -2.644 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.689 18.964 -3.840 1.00 0.00 H new ATOM 1193 N LYS A 77 4.671 14.596 1.900 1.00 0.00 N ATOM 1194 CA LYS A 77 5.566 13.491 2.260 1.00 0.00 C ATOM 1195 C LYS A 77 4.987 12.153 1.769 1.00 0.00 C ATOM 1196 O LYS A 77 5.723 11.332 1.239 1.00 0.00 O ATOM 1197 CB LYS A 77 5.795 13.450 3.793 1.00 0.00 C ATOM 1198 CG LYS A 77 6.861 12.423 4.258 1.00 0.00 C ATOM 1199 CD LYS A 77 7.069 12.437 5.793 1.00 0.00 C ATOM 1200 CE LYS A 77 8.288 11.613 6.241 1.00 0.00 C ATOM 1201 NZ LYS A 77 8.168 10.177 5.882 1.00 0.00 N ATOM 0 H LYS A 77 4.225 15.037 2.704 1.00 0.00 H new ATOM 0 HA LYS A 77 6.528 13.655 1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.094 14.443 4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.849 13.219 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.559 11.424 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.808 12.639 3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.190 13.467 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.175 12.047 6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.188 12.024 5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.408 11.705 7.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.014 9.666 6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.325 9.774 6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.081 10.083 4.850 1.00 0.00 H new ATOM 1215 N ASP A 78 3.658 11.966 1.943 1.00 0.00 N ATOM 1216 CA ASP A 78 2.926 10.767 1.451 1.00 0.00 C ATOM 1217 C ASP A 78 3.067 10.622 -0.062 1.00 0.00 C ATOM 1218 O ASP A 78 3.309 9.516 -0.576 1.00 0.00 O ATOM 1219 CB ASP A 78 1.417 10.827 1.831 1.00 0.00 C ATOM 1220 CG ASP A 78 1.159 10.448 3.293 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.404 9.279 3.648 1.00 0.00 O ATOM 1222 OD2 ASP A 78 0.719 11.300 4.089 1.00 0.00 O ATOM 0 H ASP A 78 3.061 12.637 2.426 1.00 0.00 H new ATOM 0 HA ASP A 78 3.372 9.898 1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.041 11.834 1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.856 10.155 1.181 1.00 0.00 H new ATOM 1227 N LEU A 79 2.898 11.759 -0.753 1.00 0.00 N ATOM 1228 CA LEU A 79 3.071 11.856 -2.202 1.00 0.00 C ATOM 1229 C LEU A 79 4.492 11.429 -2.601 1.00 0.00 C ATOM 1230 O LEU A 79 4.666 10.592 -3.492 1.00 0.00 O ATOM 1231 CB LEU A 79 2.778 13.303 -2.677 1.00 0.00 C ATOM 1232 CG LEU A 79 2.904 13.550 -4.210 1.00 0.00 C ATOM 1233 CD1 LEU A 79 1.901 12.680 -4.987 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.751 15.049 -4.558 1.00 0.00 C ATOM 0 H LEU A 79 2.635 12.642 -0.314 1.00 0.00 H new ATOM 0 HA LEU A 79 2.365 11.183 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.768 13.570 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.459 13.980 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 79 3.907 13.254 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.007 12.869 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.098 11.627 -4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.886 12.926 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.844 15.184 -5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.772 15.400 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.529 15.621 -4.052 1.00 0.00 H new ATOM 1246 N SER A 80 5.487 11.984 -1.883 1.00 0.00 N ATOM 1247 CA SER A 80 6.913 11.733 -2.142 1.00 0.00 C ATOM 1248 C SER A 80 7.262 10.248 -1.930 1.00 0.00 C ATOM 1249 O SER A 80 8.007 9.685 -2.712 1.00 0.00 O ATOM 1250 CB SER A 80 7.791 12.630 -1.236 1.00 0.00 C ATOM 1251 OG SER A 80 9.176 12.546 -1.580 1.00 0.00 O ATOM 0 H SER A 80 5.321 12.621 -1.104 1.00 0.00 H new ATOM 0 HA SER A 80 7.117 11.981 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.459 13.665 -1.319 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.657 12.335 -0.195 1.00 0.00 H new ATOM 0 HG SER A 80 9.696 13.127 -0.987 1.00 0.00 H new ATOM 1257 N GLU A 81 6.687 9.634 -0.880 1.00 0.00 N ATOM 1258 CA GLU A 81 6.935 8.223 -0.515 1.00 0.00 C ATOM 1259 C GLU A 81 6.495 7.275 -1.636 1.00 0.00 C ATOM 1260 O GLU A 81 7.207 6.342 -1.971 1.00 0.00 O ATOM 1261 CB GLU A 81 6.196 7.871 0.811 1.00 0.00 C ATOM 1262 CG GLU A 81 6.804 8.495 2.077 1.00 0.00 C ATOM 1263 CD GLU A 81 8.225 7.995 2.364 1.00 0.00 C ATOM 1264 OE1 GLU A 81 8.375 6.820 2.740 1.00 0.00 O ATOM 1265 OE2 GLU A 81 9.195 8.764 2.207 1.00 0.00 O ATOM 0 H GLU A 81 6.032 10.104 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 81 8.008 8.096 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.158 8.193 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.185 6.787 0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.820 9.580 1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.165 8.269 2.931 1.00 0.00 H new ATOM 1272 N LEU A 82 5.318 7.547 -2.205 1.00 0.00 N ATOM 1273 CA LEU A 82 4.719 6.719 -3.275 1.00 0.00 C ATOM 1274 C LEU A 82 5.425 6.909 -4.630 1.00 0.00 C ATOM 1275 O LEU A 82 5.511 5.967 -5.425 1.00 0.00 O ATOM 1276 CB LEU A 82 3.208 7.033 -3.362 1.00 0.00 C ATOM 1277 CG LEU A 82 2.388 6.535 -2.131 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.001 7.174 -2.074 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.279 4.999 -2.134 1.00 0.00 C ATOM 0 H LEU A 82 4.745 8.349 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 82 4.854 5.667 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.076 8.110 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.803 6.576 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 82 2.927 6.844 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.464 6.800 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.102 8.257 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.447 6.921 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.704 4.673 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.779 4.672 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.277 4.563 -2.091 1.00 0.00 H new ATOM 1291 N GLN A 83 5.931 8.130 -4.874 1.00 0.00 N ATOM 1292 CA GLN A 83 6.716 8.462 -6.086 1.00 0.00 C ATOM 1293 C GLN A 83 8.131 7.835 -6.013 1.00 0.00 C ATOM 1294 O GLN A 83 8.658 7.339 -7.014 1.00 0.00 O ATOM 1295 CB GLN A 83 6.791 10.002 -6.254 1.00 0.00 C ATOM 1296 CG GLN A 83 5.435 10.676 -6.569 1.00 0.00 C ATOM 1297 CD GLN A 83 5.460 12.212 -6.579 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.720 12.855 -7.333 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.263 12.815 -5.710 1.00 0.00 N ATOM 0 H GLN A 83 5.810 8.919 -4.239 1.00 0.00 H new ATOM 0 HA GLN A 83 6.218 8.042 -6.959 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.195 10.436 -5.339 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.493 10.234 -7.055 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.090 10.327 -7.542 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.702 10.344 -5.834 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.863 12.260 -5.100 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.280 13.833 -5.653 1.00 0.00 H new ATOM 1308 N ASP A 84 8.711 7.848 -4.803 1.00 0.00 N ATOM 1309 CA ASP A 84 10.022 7.238 -4.506 1.00 0.00 C ATOM 1310 C ASP A 84 9.925 5.708 -4.559 1.00 0.00 C ATOM 1311 O ASP A 84 10.839 5.036 -5.047 1.00 0.00 O ATOM 1312 CB ASP A 84 10.524 7.702 -3.105 1.00 0.00 C ATOM 1313 CG ASP A 84 11.309 9.029 -3.122 1.00 0.00 C ATOM 1314 OD1 ASP A 84 10.703 10.096 -3.317 1.00 0.00 O ATOM 1315 OD2 ASP A 84 12.539 9.019 -2.917 1.00 0.00 O ATOM 0 H ASP A 84 8.279 8.288 -3.990 1.00 0.00 H new ATOM 0 HA ASP A 84 10.738 7.564 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.666 7.809 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.159 6.923 -2.683 1.00 0.00 H new ATOM 1320 N ALA A 85 8.811 5.175 -4.047 1.00 0.00 N ATOM 1321 CA ALA A 85 8.575 3.737 -3.964 1.00 0.00 C ATOM 1322 C ALA A 85 8.318 3.117 -5.347 1.00 0.00 C ATOM 1323 O ALA A 85 8.743 1.988 -5.596 1.00 0.00 O ATOM 1324 CB ALA A 85 7.417 3.447 -3.010 1.00 0.00 C ATOM 0 H ALA A 85 8.044 5.737 -3.677 1.00 0.00 H new ATOM 0 HA ALA A 85 9.479 3.273 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.250 2.371 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.660 3.827 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.514 3.936 -3.375 1.00 0.00 H new ATOM 1330 N LYS A 86 7.588 3.833 -6.233 1.00 0.00 N ATOM 1331 CA LYS A 86 7.359 3.351 -7.611 1.00 0.00 C ATOM 1332 C LYS A 86 8.654 3.327 -8.426 1.00 0.00 C ATOM 1333 O LYS A 86 8.895 2.354 -9.125 1.00 0.00 O ATOM 1334 CB LYS A 86 6.266 4.154 -8.368 1.00 0.00 C ATOM 1335 CG LYS A 86 6.623 5.618 -8.692 1.00 0.00 C ATOM 1336 CD LYS A 86 5.617 6.305 -9.634 1.00 0.00 C ATOM 1337 CE LYS A 86 5.494 5.594 -10.990 1.00 0.00 C ATOM 1338 NZ LYS A 86 4.634 6.346 -11.939 1.00 0.00 N ATOM 0 H LYS A 86 7.155 4.732 -6.022 1.00 0.00 H new ATOM 0 HA LYS A 86 6.992 2.330 -7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.042 3.638 -9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.354 4.144 -7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.681 6.183 -7.762 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.613 5.650 -9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.639 6.335 -9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.925 7.338 -9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.486 5.467 -11.423 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.081 4.596 -10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.579 5.831 -12.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.680 6.446 -11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.041 7.289 -12.104 1.00 0.00 H new ATOM 1352 N LEU A 87 9.494 4.389 -8.323 1.00 0.00 N ATOM 1353 CA LEU A 87 10.703 4.501 -9.162 1.00 0.00 C ATOM 1354 C LEU A 87 11.713 3.389 -8.824 1.00 0.00 C ATOM 1355 O LEU A 87 12.335 2.824 -9.730 1.00 0.00 O ATOM 1356 CB LEU A 87 11.310 5.953 -9.114 1.00 0.00 C ATOM 1357 CG LEU A 87 11.877 6.515 -7.753 1.00 0.00 C ATOM 1358 CD1 LEU A 87 13.294 5.997 -7.402 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.856 8.065 -7.734 1.00 0.00 C ATOM 0 H LEU A 87 9.355 5.166 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 87 10.420 4.343 -10.203 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.117 5.994 -9.845 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.537 6.641 -9.454 1.00 0.00 H new ATOM 0 HG LEU A 87 11.207 6.133 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.614 6.428 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.274 4.910 -7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.992 6.288 -8.187 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.253 8.423 -6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.469 8.447 -8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.831 8.417 -7.855 1.00 0.00 H new ATOM 1371 N LYS A 88 11.837 3.056 -7.517 1.00 0.00 N ATOM 1372 CA LYS A 88 12.730 1.968 -7.049 1.00 0.00 C ATOM 1373 C LYS A 88 12.168 0.585 -7.427 1.00 0.00 C ATOM 1374 O LYS A 88 12.933 -0.316 -7.796 1.00 0.00 O ATOM 1375 CB LYS A 88 12.980 2.052 -5.517 1.00 0.00 C ATOM 1376 CG LYS A 88 11.717 1.944 -4.651 1.00 0.00 C ATOM 1377 CD LYS A 88 12.000 1.816 -3.145 1.00 0.00 C ATOM 1378 CE LYS A 88 12.699 0.503 -2.792 1.00 0.00 C ATOM 1379 NZ LYS A 88 11.879 -0.678 -3.181 1.00 0.00 N ATOM 0 H LYS A 88 11.329 3.526 -6.767 1.00 0.00 H new ATOM 0 HA LYS A 88 13.687 2.099 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.668 1.257 -5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.476 2.997 -5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.097 2.824 -4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.139 1.079 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.620 2.652 -2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 88 11.062 1.884 -2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 88 13.665 0.458 -3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.897 0.472 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.863 -1.362 -2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.908 -0.372 -3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 12.293 -1.126 -4.023 1.00 0.00 H new ATOM 1393 N ALA A 89 10.830 0.416 -7.299 1.00 0.00 N ATOM 1394 CA ALA A 89 10.125 -0.814 -7.699 1.00 0.00 C ATOM 1395 C ALA A 89 10.285 -1.098 -9.199 1.00 0.00 C ATOM 1396 O ALA A 89 10.467 -2.244 -9.592 1.00 0.00 O ATOM 1397 CB ALA A 89 8.641 -0.743 -7.307 1.00 0.00 C ATOM 0 H ALA A 89 10.214 1.132 -6.915 1.00 0.00 H new ATOM 0 HA ALA A 89 10.582 -1.645 -7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.140 -1.662 -7.612 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.555 -0.624 -6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.174 0.107 -7.804 1.00 0.00 H new