USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 575 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 39 HIS : no HE2:sc= 1.16 K(o=1.8,f=-3!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.688 K(o=1.8,f=-1.9!) USER MOD Set 2.1: A 30 TYR OH : rot -88:sc= -0.23 USER MOD Set 2.2: A 71 SER OG : rot -53:sc= 1.5 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 28:sc= 1.26 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0857 USER MOD Single : A 13 GLN : amide:sc= -0.306 K(o=-0.31,f=-2.2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 30:sc= 0.0244 USER MOD Single : A 21 THR OG1 : rot 140:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.392 K(o=-0.39,f=-1.2) USER MOD Single : A 27 HIS :FLIP no HD1:sc= 0.0297 F(o=-0.68,f=0.03) USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= 1.16 (180deg=0.438) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.2) USER MOD Single : A 55 THR OG1 : rot 124:sc= 1.63 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= 1.03 (180deg=0.94) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -128:sc= 1.34 USER MOD Single : A 80 HIS : no HD1:sc= -1.25 X(o=-1.2,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.700 -8.509 -11.415 1.00 0.00 N ATOM 66 CA LYS A 5 1.481 -8.871 -10.245 1.00 0.00 C ATOM 67 C LYS A 5 0.498 -9.146 -9.108 1.00 0.00 C ATOM 68 O LYS A 5 0.453 -8.470 -8.086 1.00 0.00 O ATOM 69 CB LYS A 5 2.595 -7.836 -10.022 1.00 0.00 C ATOM 70 CG LYS A 5 3.934 -8.361 -10.564 1.00 0.00 C ATOM 71 CD LYS A 5 5.038 -7.291 -10.596 1.00 0.00 C ATOM 72 CE LYS A 5 4.975 -6.429 -11.869 1.00 0.00 C ATOM 73 NZ LYS A 5 6.183 -5.591 -12.028 1.00 0.00 N ATOM 0 HA LYS A 5 2.049 -9.796 -10.349 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.336 -6.901 -10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.688 -7.616 -8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.265 -9.197 -9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.784 -8.748 -11.572 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.945 -6.649 -9.720 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.013 -7.775 -10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.864 -7.075 -12.740 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.092 -5.790 -11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.101 -5.026 -12.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.275 -4.956 -11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.023 -6.201 -12.089 1.00 0.00 H new ATOM 87 N TYR A 6 -0.348 -10.148 -9.341 1.00 0.00 N ATOM 88 CA TYR A 6 -1.284 -10.645 -8.353 1.00 0.00 C ATOM 89 C TYR A 6 -0.503 -11.290 -7.201 1.00 0.00 C ATOM 90 O TYR A 6 0.130 -12.323 -7.403 1.00 0.00 O ATOM 91 CB TYR A 6 -2.262 -11.611 -9.031 1.00 0.00 C ATOM 92 CG TYR A 6 -3.375 -10.908 -9.787 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.461 -10.383 -9.067 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.315 -10.727 -11.181 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.487 -9.690 -9.728 1.00 0.00 C ATOM 96 CE2 TYR A 6 -4.341 -10.030 -11.845 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.411 -9.485 -11.114 1.00 0.00 C ATOM 98 OH TYR A 6 -6.331 -8.698 -11.735 1.00 0.00 O ATOM 0 H TYR A 6 -0.398 -10.639 -10.234 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.876 -9.835 -7.926 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.711 -12.250 -9.721 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.701 -12.262 -8.275 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.507 -10.514 -7.996 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.481 -11.123 -11.741 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.333 -9.315 -9.171 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.307 -9.913 -12.918 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.665 -8.026 -11.105 1.00 0.00 H new ATOM 108 N TYR A 7 -0.533 -10.673 -6.017 1.00 0.00 N ATOM 109 CA TYR A 7 0.175 -11.110 -4.816 1.00 0.00 C ATOM 110 C TYR A 7 -0.824 -11.474 -3.719 1.00 0.00 C ATOM 111 O TYR A 7 -1.883 -10.854 -3.607 1.00 0.00 O ATOM 112 CB TYR A 7 1.096 -9.993 -4.315 1.00 0.00 C ATOM 113 CG TYR A 7 2.314 -9.733 -5.172 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.329 -10.704 -5.243 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.498 -8.482 -5.788 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.492 -10.453 -5.988 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.681 -8.216 -6.498 1.00 0.00 C ATOM 118 CZ TYR A 7 4.660 -9.216 -6.628 1.00 0.00 C ATOM 119 OH TYR A 7 5.787 -8.972 -7.355 1.00 0.00 O ATOM 0 H TYR A 7 -1.074 -9.821 -5.865 1.00 0.00 H new ATOM 0 HA TYR A 7 0.772 -11.988 -5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.518 -9.072 -4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.427 -10.241 -3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.214 -11.644 -4.724 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.730 -7.726 -5.715 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.257 -11.211 -6.068 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.838 -7.245 -6.943 1.00 0.00 H new ATOM 0 HH TYR A 7 5.744 -8.069 -7.732 1.00 0.00 H new ATOM 129 N THR A 8 -0.500 -12.490 -2.917 1.00 0.00 N ATOM 130 CA THR A 8 -1.356 -13.002 -1.861 1.00 0.00 C ATOM 131 C THR A 8 -1.123 -12.240 -0.555 1.00 0.00 C ATOM 132 O THR A 8 -0.102 -11.574 -0.373 1.00 0.00 O ATOM 133 CB THR A 8 -1.024 -14.489 -1.663 1.00 0.00 C ATOM 134 OG1 THR A 8 0.380 -14.616 -1.559 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.516 -15.335 -2.838 1.00 0.00 C ATOM 0 H THR A 8 0.388 -12.987 -2.991 1.00 0.00 H new ATOM 0 HA THR A 8 -2.402 -12.874 -2.140 1.00 0.00 H new ATOM 0 HB THR A 8 -1.523 -14.845 -0.761 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.615 -15.559 -1.430 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.264 -16.381 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.597 -15.233 -2.932 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.038 -14.995 -3.757 1.00 0.00 H new ATOM 143 N LEU A 9 -2.069 -12.370 0.379 1.00 0.00 N ATOM 144 CA LEU A 9 -2.038 -11.676 1.654 1.00 0.00 C ATOM 145 C LEU A 9 -0.763 -12.029 2.405 1.00 0.00 C ATOM 146 O LEU A 9 -0.079 -11.135 2.886 1.00 0.00 O ATOM 147 CB LEU A 9 -3.267 -12.045 2.498 1.00 0.00 C ATOM 148 CG LEU A 9 -4.599 -11.420 2.052 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.589 -9.886 2.108 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.027 -11.894 0.665 1.00 0.00 C ATOM 0 H LEU A 9 -2.886 -12.970 0.262 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.057 -10.602 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.376 -13.129 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.077 -11.750 3.530 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.335 -11.771 2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.556 -9.504 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.396 -9.560 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.807 -9.503 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.973 -11.424 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.265 -11.619 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.149 -12.977 0.672 1.00 0.00 H new ATOM 162 N GLU A 10 -0.441 -13.322 2.507 1.00 0.00 N ATOM 163 CA GLU A 10 0.744 -13.773 3.213 1.00 0.00 C ATOM 164 C GLU A 10 1.997 -13.135 2.610 1.00 0.00 C ATOM 165 O GLU A 10 2.814 -12.563 3.329 1.00 0.00 O ATOM 166 CB GLU A 10 0.798 -15.306 3.202 1.00 0.00 C ATOM 167 CG GLU A 10 1.881 -15.804 4.164 1.00 0.00 C ATOM 168 CD GLU A 10 1.837 -17.314 4.350 1.00 0.00 C ATOM 169 OE1 GLU A 10 0.739 -17.808 4.687 1.00 0.00 O ATOM 170 OE2 GLU A 10 2.902 -17.940 4.165 1.00 0.00 O ATOM 0 H GLU A 10 -0.996 -14.076 2.102 1.00 0.00 H new ATOM 0 HA GLU A 10 0.700 -13.454 4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.171 -15.713 3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.006 -15.663 2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.861 -15.515 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.757 -15.317 5.131 1.00 0.00 H new ATOM 177 N GLU A 11 2.139 -13.202 1.284 1.00 0.00 N ATOM 178 CA GLU A 11 3.297 -12.642 0.608 1.00 0.00 C ATOM 179 C GLU A 11 3.399 -11.147 0.923 1.00 0.00 C ATOM 180 O GLU A 11 4.414 -10.671 1.431 1.00 0.00 O ATOM 181 CB GLU A 11 3.214 -12.960 -0.892 1.00 0.00 C ATOM 182 CG GLU A 11 4.564 -12.793 -1.605 1.00 0.00 C ATOM 183 CD GLU A 11 4.772 -13.897 -2.634 1.00 0.00 C ATOM 184 OE1 GLU A 11 4.094 -13.827 -3.681 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.577 -14.805 -2.337 1.00 0.00 O ATOM 0 H GLU A 11 1.461 -13.641 0.661 1.00 0.00 H new ATOM 0 HA GLU A 11 4.221 -13.094 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.861 -13.983 -1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.477 -12.306 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.604 -11.820 -2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.372 -12.814 -0.874 1.00 0.00 H new ATOM 192 N ILE A 12 2.317 -10.399 0.706 1.00 0.00 N ATOM 193 CA ILE A 12 2.303 -8.969 0.985 1.00 0.00 C ATOM 194 C ILE A 12 2.625 -8.700 2.464 1.00 0.00 C ATOM 195 O ILE A 12 3.397 -7.799 2.783 1.00 0.00 O ATOM 196 CB ILE A 12 0.964 -8.361 0.549 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.751 -8.578 -0.959 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.960 -6.862 0.867 1.00 0.00 C ATOM 199 CD1 ILE A 12 -0.723 -8.481 -1.350 1.00 0.00 C ATOM 0 H ILE A 12 1.439 -10.764 0.337 1.00 0.00 H new ATOM 0 HA ILE A 12 3.084 -8.479 0.404 1.00 0.00 H new ATOM 0 HB ILE A 12 0.153 -8.849 1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.323 -7.836 -1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.137 -9.557 -1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.009 -6.427 0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.094 -6.717 1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.774 -6.374 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.826 -8.641 -2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.292 -9.240 -0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.104 -7.493 -1.092 1.00 0.00 H new ATOM 211 N GLN A 13 2.080 -9.510 3.372 1.00 0.00 N ATOM 212 CA GLN A 13 2.343 -9.441 4.804 1.00 0.00 C ATOM 213 C GLN A 13 3.817 -9.710 5.126 1.00 0.00 C ATOM 214 O GLN A 13 4.291 -9.288 6.180 1.00 0.00 O ATOM 215 CB GLN A 13 1.381 -10.385 5.543 1.00 0.00 C ATOM 216 CG GLN A 13 1.428 -10.269 7.075 1.00 0.00 C ATOM 217 CD GLN A 13 2.482 -11.148 7.753 1.00 0.00 C ATOM 218 OE1 GLN A 13 3.239 -11.874 7.117 1.00 0.00 O ATOM 219 NE2 GLN A 13 2.521 -11.109 9.083 1.00 0.00 N ATOM 0 H GLN A 13 1.426 -10.252 3.122 1.00 0.00 H new ATOM 0 HA GLN A 13 2.155 -8.427 5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.364 -10.183 5.207 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.612 -11.412 5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.617 -9.229 7.341 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.448 -10.527 7.475 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.883 -10.499 9.594 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.189 -11.689 9.591 1.00 0.00 H new ATOM 228 N LYS A 14 4.560 -10.374 4.237 1.00 0.00 N ATOM 229 CA LYS A 14 5.996 -10.535 4.392 1.00 0.00 C ATOM 230 C LYS A 14 6.723 -9.277 3.899 1.00 0.00 C ATOM 231 O LYS A 14 7.777 -8.929 4.430 1.00 0.00 O ATOM 232 CB LYS A 14 6.454 -11.844 3.724 1.00 0.00 C ATOM 233 CG LYS A 14 5.909 -13.063 4.490 1.00 0.00 C ATOM 234 CD LYS A 14 6.668 -13.278 5.810 1.00 0.00 C ATOM 235 CE LYS A 14 7.504 -14.565 5.771 1.00 0.00 C ATOM 236 NZ LYS A 14 8.490 -14.608 6.870 1.00 0.00 N ATOM 0 H LYS A 14 4.180 -10.810 3.397 1.00 0.00 H new ATOM 0 HA LYS A 14 6.261 -10.633 5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.107 -11.872 2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.543 -11.883 3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.848 -12.921 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.996 -13.954 3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.319 -12.425 6.000 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.958 -13.328 6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.844 -15.430 5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.022 -14.634 4.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.036 -15.491 6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.135 -13.796 6.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.994 -14.567 7.783 1.00 0.00 H new ATOM 250 N HIS A 15 6.140 -8.530 2.956 1.00 0.00 N ATOM 251 CA HIS A 15 6.657 -7.239 2.516 1.00 0.00 C ATOM 252 C HIS A 15 6.232 -6.120 3.480 1.00 0.00 C ATOM 253 O HIS A 15 5.620 -5.124 3.088 1.00 0.00 O ATOM 254 CB HIS A 15 6.198 -6.966 1.080 1.00 0.00 C ATOM 255 CG HIS A 15 6.973 -7.718 0.031 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.093 -7.253 -0.622 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.660 -8.938 -0.507 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.454 -8.184 -1.520 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.613 -9.229 -1.487 1.00 0.00 N ATOM 0 H HIS A 15 5.286 -8.812 2.474 1.00 0.00 H new ATOM 0 HA HIS A 15 7.747 -7.264 2.526 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.143 -7.226 0.992 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.281 -5.898 0.881 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.826 -9.563 -0.224 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.306 -8.103 -2.179 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.660 -10.069 -2.063 1.00 0.00 H new ATOM 267 N LYS A 16 6.607 -6.258 4.752 1.00 0.00 N ATOM 268 CA LYS A 16 6.443 -5.192 5.734 1.00 0.00 C ATOM 269 C LYS A 16 7.494 -5.307 6.828 1.00 0.00 C ATOM 270 O LYS A 16 7.169 -5.255 8.014 1.00 0.00 O ATOM 271 CB LYS A 16 5.018 -5.155 6.289 1.00 0.00 C ATOM 272 CG LYS A 16 4.589 -6.484 6.920 1.00 0.00 C ATOM 273 CD LYS A 16 4.011 -6.330 8.336 1.00 0.00 C ATOM 274 CE LYS A 16 4.699 -7.324 9.282 1.00 0.00 C ATOM 275 NZ LYS A 16 4.319 -7.090 10.687 1.00 0.00 N ATOM 0 H LYS A 16 7.030 -7.107 5.127 1.00 0.00 H new ATOM 0 HA LYS A 16 6.600 -4.236 5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.945 -4.364 7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.327 -4.900 5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.843 -6.957 6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.448 -7.154 6.957 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.160 -5.311 8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.936 -6.509 8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.432 -8.342 8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.781 -7.237 9.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.803 -7.780 11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.596 -6.127 10.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.290 -7.198 10.791 1.00 0.00 H new ATOM 334 N SER A 20 11.256 -3.004 3.392 1.00 0.00 N ATOM 335 CA SER A 20 10.230 -3.118 2.368 1.00 0.00 C ATOM 336 C SER A 20 8.881 -2.974 3.056 1.00 0.00 C ATOM 337 O SER A 20 8.474 -3.889 3.767 1.00 0.00 O ATOM 338 CB SER A 20 10.348 -4.466 1.654 1.00 0.00 C ATOM 339 OG SER A 20 11.563 -4.522 0.933 1.00 0.00 O ATOM 0 HA SER A 20 10.344 -2.342 1.611 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.308 -5.277 2.381 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.506 -4.604 0.976 1.00 0.00 H new ATOM 0 HG SER A 20 12.236 -3.970 1.383 1.00 0.00 H new ATOM 345 N THR A 21 8.232 -1.820 2.882 1.00 0.00 N ATOM 346 CA THR A 21 6.927 -1.500 3.421 1.00 0.00 C ATOM 347 C THR A 21 5.947 -1.426 2.251 1.00 0.00 C ATOM 348 O THR A 21 5.934 -0.447 1.502 1.00 0.00 O ATOM 349 CB THR A 21 7.045 -0.179 4.190 1.00 0.00 C ATOM 350 OG1 THR A 21 7.776 -0.421 5.378 1.00 0.00 O ATOM 351 CG2 THR A 21 5.679 0.409 4.528 1.00 0.00 C ATOM 0 H THR A 21 8.628 -1.055 2.335 1.00 0.00 H new ATOM 0 HA THR A 21 6.558 -2.254 4.117 1.00 0.00 H new ATOM 0 HB THR A 21 7.558 0.549 3.561 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.389 0.326 5.543 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.810 1.344 5.073 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.127 0.599 3.608 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.122 -0.296 5.146 1.00 0.00 H new ATOM 359 N TRP A 22 5.143 -2.475 2.084 1.00 0.00 N ATOM 360 CA TRP A 22 4.011 -2.478 1.170 1.00 0.00 C ATOM 361 C TRP A 22 2.738 -2.153 1.935 1.00 0.00 C ATOM 362 O TRP A 22 2.720 -2.217 3.163 1.00 0.00 O ATOM 363 CB TRP A 22 3.905 -3.842 0.509 1.00 0.00 C ATOM 364 CG TRP A 22 4.948 -4.126 -0.521 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.077 -3.425 -0.771 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.921 -5.191 -1.501 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.730 -3.982 -1.846 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.077 -5.096 -2.322 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.993 -6.200 -1.794 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.313 -5.987 -3.377 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.233 -7.128 -2.824 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.401 -7.032 -3.602 1.00 0.00 C ATOM 0 H TRP A 22 5.264 -3.354 2.587 1.00 0.00 H new ATOM 0 HA TRP A 22 4.154 -1.722 0.398 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.960 -4.609 1.282 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.923 -3.928 0.044 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.413 -2.563 -0.214 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.594 -3.614 -2.243 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.080 -6.266 -1.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.182 -5.872 -4.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.519 -7.915 -3.018 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.597 -7.762 -4.373 1.00 0.00 H new ATOM 383 N VAL A 23 1.667 -1.841 1.208 1.00 0.00 N ATOM 384 CA VAL A 23 0.324 -1.720 1.749 1.00 0.00 C ATOM 385 C VAL A 23 -0.645 -2.170 0.656 1.00 0.00 C ATOM 386 O VAL A 23 -0.402 -1.919 -0.529 1.00 0.00 O ATOM 387 CB VAL A 23 0.032 -0.280 2.218 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.578 0.011 3.621 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.609 0.771 1.270 1.00 0.00 C ATOM 0 H VAL A 23 1.715 -1.662 0.205 1.00 0.00 H new ATOM 0 HA VAL A 23 0.210 -2.347 2.633 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.056 -0.214 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.342 1.039 3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.121 -0.671 4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.659 -0.128 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.376 1.767 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.691 0.651 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.173 0.646 0.279 1.00 0.00 H new ATOM 399 N ILE A 24 -1.727 -2.851 1.047 1.00 0.00 N ATOM 400 CA ILE A 24 -2.826 -3.145 0.147 1.00 0.00 C ATOM 401 C ILE A 24 -3.880 -2.066 0.389 1.00 0.00 C ATOM 402 O ILE A 24 -4.227 -1.784 1.540 1.00 0.00 O ATOM 403 CB ILE A 24 -3.300 -4.604 0.278 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.002 -4.957 1.585 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.101 -5.541 0.180 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.476 -5.298 1.374 1.00 0.00 C ATOM 0 H ILE A 24 -1.857 -3.209 1.993 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.534 -3.098 -0.902 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.023 -4.720 -0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.498 -5.804 2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.920 -4.119 2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.438 -6.574 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.610 -5.405 -0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.397 -5.316 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.934 -5.543 2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.988 -4.442 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.559 -6.153 0.703 1.00 0.00 H new ATOM 418 N LEU A 25 -4.277 -1.377 -0.683 1.00 0.00 N ATOM 419 CA LEU A 25 -5.206 -0.262 -0.622 1.00 0.00 C ATOM 420 C LEU A 25 -6.204 -0.493 -1.751 1.00 0.00 C ATOM 421 O LEU A 25 -5.833 -0.439 -2.921 1.00 0.00 O ATOM 422 CB LEU A 25 -4.485 1.087 -0.765 1.00 0.00 C ATOM 423 CG LEU A 25 -3.399 1.340 0.293 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.330 2.272 -0.259 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.999 2.035 1.505 1.00 0.00 C ATOM 0 H LEU A 25 -3.954 -1.586 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.707 -0.217 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.031 1.140 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.223 1.887 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.973 0.374 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.568 2.442 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.871 1.819 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.784 3.223 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.220 2.209 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.430 2.989 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.778 1.406 1.937 1.00 0.00 H new ATOM 437 N HIS A 26 -7.455 -0.796 -1.411 1.00 0.00 N ATOM 438 CA HIS A 26 -8.464 -1.237 -2.369 1.00 0.00 C ATOM 439 C HIS A 26 -8.003 -2.517 -3.092 1.00 0.00 C ATOM 440 O HIS A 26 -7.082 -3.207 -2.657 1.00 0.00 O ATOM 441 CB HIS A 26 -8.822 -0.099 -3.350 1.00 0.00 C ATOM 442 CG HIS A 26 -9.305 1.167 -2.691 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.612 1.600 -2.638 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.523 2.143 -2.134 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.616 2.804 -2.042 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.365 3.178 -1.726 1.00 0.00 N ATOM 0 H HIS A 26 -7.799 -0.741 -0.452 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.377 -1.488 -1.830 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.944 0.133 -3.953 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.593 -0.455 -4.033 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -11.428 1.098 -2.988 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.448 2.117 -2.029 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.502 3.390 -1.844 1.00 0.00 H new ATOM 454 N HIS A 27 -8.644 -2.843 -4.218 1.00 0.00 N ATOM 455 CA HIS A 27 -8.372 -4.029 -5.027 1.00 0.00 C ATOM 456 C HIS A 27 -7.090 -3.832 -5.841 1.00 0.00 C ATOM 457 O HIS A 27 -7.121 -3.928 -7.068 1.00 0.00 O ATOM 458 CB HIS A 27 -9.576 -4.304 -5.954 1.00 0.00 C ATOM 459 CG HIS A 27 -10.937 -4.054 -5.350 1.00 0.00 C ATOM 460 ND1 HIS A 27 -11.594 -2.853 -5.350 1.00 0.00 N flip ATOM 461 CD2 HIS A 27 -11.789 -4.989 -4.811 1.00 0.00 C flip ATOM 462 CE1 HIS A 27 -12.853 -3.048 -4.783 1.00 0.00 C flip ATOM 463 NE2 HIS A 27 -12.926 -4.353 -4.475 1.00 0.00 N flip ATOM 0 H HIS A 27 -9.392 -2.267 -4.603 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.227 -4.890 -4.374 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.475 -3.684 -6.845 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.529 -5.343 -6.282 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.583 -6.041 -4.681 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.616 -2.300 -4.624 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.734 -4.802 -4.044 1.00 0.00 H new ATOM 471 N LYS A 28 -5.978 -3.494 -5.189 1.00 0.00 N ATOM 472 CA LYS A 28 -4.675 -3.376 -5.817 1.00 0.00 C ATOM 473 C LYS A 28 -3.593 -3.218 -4.741 1.00 0.00 C ATOM 474 O LYS A 28 -3.913 -2.846 -3.610 1.00 0.00 O ATOM 475 CB LYS A 28 -4.632 -2.271 -6.882 1.00 0.00 C ATOM 476 CG LYS A 28 -5.150 -0.910 -6.411 1.00 0.00 C ATOM 477 CD LYS A 28 -6.625 -0.564 -6.674 1.00 0.00 C ATOM 478 CE LYS A 28 -6.987 -0.593 -8.171 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.696 -1.829 -8.572 1.00 0.00 N ATOM 0 H LYS A 28 -5.964 -3.292 -4.189 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.471 -4.297 -6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.604 -2.155 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.220 -2.591 -7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.978 -0.842 -5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.538 -0.140 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.260 -1.269 -6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.838 0.427 -6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.611 0.269 -8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.076 -0.496 -8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.476 -2.049 -9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.389 -2.617 -7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.721 -1.691 -8.467 1.00 0.00 H new ATOM 493 N VAL A 29 -2.333 -3.529 -5.075 1.00 0.00 N ATOM 494 CA VAL A 29 -1.229 -3.499 -4.117 1.00 0.00 C ATOM 495 C VAL A 29 -0.237 -2.410 -4.510 1.00 0.00 C ATOM 496 O VAL A 29 0.070 -2.241 -5.695 1.00 0.00 O ATOM 497 CB VAL A 29 -0.529 -4.864 -4.025 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.522 -4.844 -2.902 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.536 -5.981 -3.741 1.00 0.00 C ATOM 0 H VAL A 29 -2.055 -3.807 -6.016 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.635 -3.274 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.047 -5.056 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.012 -5.816 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.265 -4.075 -3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.035 -4.627 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.013 -6.936 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.041 -5.784 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.272 -6.020 -4.544 1.00 0.00 H new ATOM 509 N TYR A 30 0.262 -1.685 -3.505 1.00 0.00 N ATOM 510 CA TYR A 30 1.132 -0.543 -3.696 1.00 0.00 C ATOM 511 C TYR A 30 2.424 -0.736 -2.901 1.00 0.00 C ATOM 512 O TYR A 30 2.379 -1.011 -1.698 1.00 0.00 O ATOM 513 CB TYR A 30 0.360 0.710 -3.278 1.00 0.00 C ATOM 514 CG TYR A 30 -0.880 0.944 -4.121 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.739 1.352 -5.454 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.166 0.685 -3.618 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.873 1.566 -6.252 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.295 1.089 -4.357 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.140 1.570 -5.662 1.00 0.00 C ATOM 520 OH TYR A 30 -4.197 2.120 -6.329 1.00 0.00 O ATOM 0 H TYR A 30 0.064 -1.886 -2.525 1.00 0.00 H new ATOM 0 HA TYR A 30 1.426 -0.435 -4.740 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.071 0.621 -2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.015 1.578 -3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.247 1.502 -5.869 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.288 0.180 -2.671 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.768 1.727 -7.315 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.279 1.028 -3.917 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.246 3.079 -6.131 1.00 0.00 H new ATOM 530 N ASP A 31 3.569 -0.595 -3.583 1.00 0.00 N ATOM 531 CA ASP A 31 4.876 -0.511 -2.941 1.00 0.00 C ATOM 532 C ASP A 31 5.134 0.961 -2.659 1.00 0.00 C ATOM 533 O ASP A 31 4.989 1.789 -3.557 1.00 0.00 O ATOM 534 CB ASP A 31 5.981 -1.081 -3.843 1.00 0.00 C ATOM 535 CG ASP A 31 7.364 -1.018 -3.195 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.761 0.078 -2.753 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.014 -2.080 -3.096 1.00 0.00 O ATOM 0 H ASP A 31 3.608 -0.536 -4.601 1.00 0.00 H new ATOM 0 HA ASP A 31 4.884 -1.099 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.746 -2.117 -4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.999 -0.528 -4.782 1.00 0.00 H new ATOM 542 N LEU A 32 5.486 1.289 -1.415 1.00 0.00 N ATOM 543 CA LEU A 32 5.805 2.653 -1.029 1.00 0.00 C ATOM 544 C LEU A 32 7.180 2.701 -0.363 1.00 0.00 C ATOM 545 O LEU A 32 7.488 3.618 0.396 1.00 0.00 O ATOM 546 CB LEU A 32 4.694 3.149 -0.102 1.00 0.00 C ATOM 547 CG LEU A 32 3.292 3.035 -0.731 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.272 3.386 0.340 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.034 3.904 -1.977 1.00 0.00 C ATOM 0 H LEU A 32 5.556 0.615 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 32 5.857 3.307 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.718 2.576 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.885 4.189 0.161 1.00 0.00 H new ATOM 0 HG LEU A 32 3.208 2.009 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.267 3.314 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.369 2.693 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.447 4.403 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.016 3.740 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.164 4.955 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.739 3.632 -2.763 1.00 0.00 H new ATOM 561 N THR A 33 8.038 1.736 -0.683 1.00 0.00 N ATOM 562 CA THR A 33 9.326 1.535 -0.048 1.00 0.00 C ATOM 563 C THR A 33 10.257 2.722 -0.294 1.00 0.00 C ATOM 564 O THR A 33 10.987 3.122 0.610 1.00 0.00 O ATOM 565 CB THR A 33 9.886 0.182 -0.506 1.00 0.00 C ATOM 566 OG1 THR A 33 8.984 -0.828 -0.091 1.00 0.00 O ATOM 567 CG2 THR A 33 11.263 -0.096 0.091 1.00 0.00 C ATOM 0 H THR A 33 7.844 1.053 -1.416 1.00 0.00 H new ATOM 0 HA THR A 33 9.222 1.495 1.036 1.00 0.00 H new ATOM 0 HB THR A 33 9.996 0.197 -1.590 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.320 -1.704 -0.375 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.623 -1.064 -0.259 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.958 0.684 -0.220 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.193 -0.107 1.179 1.00 0.00 H new ATOM 575 N LYS A 34 10.210 3.319 -1.490 1.00 0.00 N ATOM 576 CA LYS A 34 10.904 4.567 -1.782 1.00 0.00 C ATOM 577 C LYS A 34 9.953 5.769 -1.741 1.00 0.00 C ATOM 578 O LYS A 34 10.280 6.818 -2.288 1.00 0.00 O ATOM 579 CB LYS A 34 11.590 4.453 -3.146 1.00 0.00 C ATOM 580 CG LYS A 34 12.701 3.392 -3.148 1.00 0.00 C ATOM 581 CD LYS A 34 13.958 3.987 -3.802 1.00 0.00 C ATOM 582 CE LYS A 34 15.068 2.948 -4.016 1.00 0.00 C ATOM 583 NZ LYS A 34 15.049 2.384 -5.382 1.00 0.00 N ATOM 0 H LYS A 34 9.687 2.945 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 34 11.656 4.737 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.848 4.202 -3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.012 5.420 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.921 3.075 -2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.375 2.507 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.689 4.427 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.339 4.795 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.037 3.411 -3.829 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.954 2.142 -3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.815 1.688 -5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.134 1.919 -5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.184 3.148 -6.075 1.00 0.00 H new ATOM 597 N PHE A 35 8.790 5.632 -1.099 1.00 0.00 N ATOM 598 CA PHE A 35 7.818 6.710 -0.951 1.00 0.00 C ATOM 599 C PHE A 35 7.641 7.087 0.522 1.00 0.00 C ATOM 600 O PHE A 35 6.956 8.054 0.823 1.00 0.00 O ATOM 601 CB PHE A 35 6.501 6.294 -1.612 1.00 0.00 C ATOM 602 CG PHE A 35 5.383 7.320 -1.579 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.572 8.598 -2.135 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.155 7.004 -0.970 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.533 9.542 -2.103 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.114 7.942 -0.942 1.00 0.00 C ATOM 607 CZ PHE A 35 3.307 9.217 -1.497 1.00 0.00 C ATOM 0 H PHE A 35 8.497 4.758 -0.663 1.00 0.00 H new ATOM 0 HA PHE A 35 8.181 7.606 -1.454 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.704 6.042 -2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.146 5.385 -1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.519 8.854 -2.588 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.013 6.032 -0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.676 10.518 -2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.165 7.685 -0.494 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.513 9.948 -1.458 1.00 0.00 H new ATOM 617 N LEU A 36 8.273 6.356 1.445 1.00 0.00 N ATOM 618 CA LEU A 36 8.135 6.561 2.876 1.00 0.00 C ATOM 619 C LEU A 36 8.298 8.039 3.257 1.00 0.00 C ATOM 620 O LEU A 36 7.358 8.662 3.741 1.00 0.00 O ATOM 621 CB LEU A 36 9.149 5.663 3.600 1.00 0.00 C ATOM 622 CG LEU A 36 8.832 4.157 3.571 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.783 3.401 4.509 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.385 3.855 3.977 1.00 0.00 C ATOM 0 H LEU A 36 8.905 5.592 1.206 1.00 0.00 H new ATOM 0 HA LEU A 36 7.128 6.284 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.131 5.819 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.216 5.984 4.640 1.00 0.00 H new ATOM 0 HG LEU A 36 8.968 3.825 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.551 2.336 4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.812 3.556 4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.662 3.773 5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.214 2.779 3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.209 4.216 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.702 4.355 3.290 1.00 0.00 H new ATOM 636 N GLU A 37 9.482 8.611 3.036 1.00 0.00 N ATOM 637 CA GLU A 37 9.728 10.009 3.375 1.00 0.00 C ATOM 638 C GLU A 37 9.016 10.940 2.384 1.00 0.00 C ATOM 639 O GLU A 37 8.438 11.950 2.779 1.00 0.00 O ATOM 640 CB GLU A 37 11.240 10.256 3.438 1.00 0.00 C ATOM 641 CG GLU A 37 11.568 11.588 4.127 1.00 0.00 C ATOM 642 CD GLU A 37 13.071 11.807 4.243 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.760 10.830 4.611 1.00 0.00 O ATOM 644 OE2 GLU A 37 13.505 12.943 3.958 1.00 0.00 O ATOM 0 H GLU A 37 10.281 8.129 2.625 1.00 0.00 H new ATOM 0 HA GLU A 37 9.313 10.232 4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.720 9.439 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.651 10.257 2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.123 12.408 3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.120 11.604 5.121 1.00 0.00 H new ATOM 651 N GLU A 38 9.060 10.590 1.093 1.00 0.00 N ATOM 652 CA GLU A 38 8.462 11.372 0.012 1.00 0.00 C ATOM 653 C GLU A 38 6.971 11.656 0.258 1.00 0.00 C ATOM 654 O GLU A 38 6.485 12.727 -0.099 1.00 0.00 O ATOM 655 CB GLU A 38 8.686 10.648 -1.329 1.00 0.00 C ATOM 656 CG GLU A 38 9.817 11.239 -2.189 1.00 0.00 C ATOM 657 CD GLU A 38 9.264 11.991 -3.395 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.646 11.309 -4.241 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.465 13.223 -3.448 1.00 0.00 O ATOM 0 H GLU A 38 9.521 9.740 0.768 1.00 0.00 H new ATOM 0 HA GLU A 38 8.954 12.344 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.908 9.600 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.759 10.674 -1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.422 11.914 -1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.475 10.439 -2.528 1.00 0.00 H new ATOM 666 N HIS A 39 6.239 10.703 0.844 1.00 0.00 N ATOM 667 CA HIS A 39 4.829 10.835 1.184 1.00 0.00 C ATOM 668 C HIS A 39 4.574 12.150 1.930 1.00 0.00 C ATOM 669 O HIS A 39 5.041 12.286 3.064 1.00 0.00 O ATOM 670 CB HIS A 39 4.393 9.618 2.015 1.00 0.00 C ATOM 671 CG HIS A 39 2.986 9.661 2.569 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.664 9.538 3.898 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.807 9.677 1.871 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.327 9.489 3.996 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.751 9.562 2.784 1.00 0.00 N ATOM 0 H HIS A 39 6.627 9.795 1.100 1.00 0.00 H new ATOM 0 HA HIS A 39 4.233 10.864 0.272 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.491 8.727 1.396 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.087 9.505 2.848 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.325 9.492 4.674 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.709 9.764 0.799 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.785 9.402 4.926 1.00 0.00 H new ATOM 683 N PRO A 40 3.830 13.107 1.337 1.00 0.00 N ATOM 684 CA PRO A 40 3.527 14.386 1.964 1.00 0.00 C ATOM 685 C PRO A 40 2.576 14.159 3.140 1.00 0.00 C ATOM 686 O PRO A 40 1.370 14.372 3.046 1.00 0.00 O ATOM 687 CB PRO A 40 2.935 15.281 0.869 1.00 0.00 C ATOM 688 CG PRO A 40 2.435 14.309 -0.193 1.00 0.00 C ATOM 689 CD PRO A 40 3.245 13.030 0.007 1.00 0.00 C ATOM 0 HA PRO A 40 4.409 14.874 2.378 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.123 15.897 1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.685 15.960 0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.368 14.119 -0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.582 14.713 -1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.608 12.150 -0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.022 12.942 -0.753 1.00 0.00 H new ATOM 697 N GLY A 41 3.148 13.695 4.247 1.00 0.00 N ATOM 698 CA GLY A 41 2.431 13.232 5.415 1.00 0.00 C ATOM 699 C GLY A 41 3.343 12.418 6.326 1.00 0.00 C ATOM 700 O GLY A 41 3.153 12.446 7.539 1.00 0.00 O ATOM 0 H GLY A 41 4.161 13.632 4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.031 14.085 5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.581 12.623 5.107 1.00 0.00 H new ATOM 704 N GLY A 42 4.343 11.721 5.768 1.00 0.00 N ATOM 705 CA GLY A 42 5.365 11.069 6.570 1.00 0.00 C ATOM 706 C GLY A 42 5.561 9.604 6.271 1.00 0.00 C ATOM 707 O GLY A 42 4.721 8.963 5.643 1.00 0.00 O ATOM 0 H GLY A 42 4.458 11.599 4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.312 11.587 6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.107 11.180 7.623 1.00 0.00 H new ATOM 711 N GLU A 43 6.646 9.071 6.830 1.00 0.00 N ATOM 712 CA GLU A 43 6.938 7.662 6.752 1.00 0.00 C ATOM 713 C GLU A 43 6.112 6.941 7.817 1.00 0.00 C ATOM 714 O GLU A 43 5.390 6.001 7.501 1.00 0.00 O ATOM 715 CB GLU A 43 8.452 7.463 6.971 1.00 0.00 C ATOM 716 CG GLU A 43 8.887 5.996 7.163 1.00 0.00 C ATOM 717 CD GLU A 43 8.855 5.484 8.599 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.947 6.329 9.513 1.00 0.00 O ATOM 719 OE2 GLU A 43 8.765 4.245 8.745 1.00 0.00 O ATOM 0 H GLU A 43 7.339 9.612 7.346 1.00 0.00 H new ATOM 0 HA GLU A 43 6.678 7.250 5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.987 7.878 6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.757 8.036 7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.242 5.362 6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.900 5.882 6.778 1.00 0.00 H new ATOM 726 N GLU A 44 6.206 7.378 9.077 1.00 0.00 N ATOM 727 CA GLU A 44 5.704 6.596 10.203 1.00 0.00 C ATOM 728 C GLU A 44 4.216 6.295 10.028 1.00 0.00 C ATOM 729 O GLU A 44 3.816 5.135 10.027 1.00 0.00 O ATOM 730 CB GLU A 44 6.002 7.290 11.539 1.00 0.00 C ATOM 731 CG GLU A 44 5.988 6.268 12.686 1.00 0.00 C ATOM 732 CD GLU A 44 6.051 6.946 14.048 1.00 0.00 C ATOM 733 OE1 GLU A 44 5.069 7.649 14.371 1.00 0.00 O ATOM 734 OE2 GLU A 44 7.081 6.766 14.734 1.00 0.00 O ATOM 0 H GLU A 44 6.626 8.270 9.339 1.00 0.00 H new ATOM 0 HA GLU A 44 6.230 5.641 10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.974 7.781 11.492 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.261 8.067 11.726 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.084 5.663 12.623 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.834 5.589 12.578 1.00 0.00 H new ATOM 741 N VAL A 45 3.405 7.331 9.781 1.00 0.00 N ATOM 742 CA VAL A 45 1.984 7.186 9.504 1.00 0.00 C ATOM 743 C VAL A 45 1.712 6.141 8.417 1.00 0.00 C ATOM 744 O VAL A 45 0.673 5.492 8.431 1.00 0.00 O ATOM 745 CB VAL A 45 1.368 8.548 9.141 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.542 9.564 10.277 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.908 9.146 7.833 1.00 0.00 C ATOM 0 H VAL A 45 3.727 8.299 9.769 1.00 0.00 H new ATOM 0 HA VAL A 45 1.504 6.821 10.412 1.00 0.00 H new ATOM 0 HB VAL A 45 0.308 8.344 8.988 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.095 10.515 9.986 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.051 9.192 11.176 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.604 9.708 10.477 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.426 10.105 7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.985 9.291 7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.697 8.466 7.008 1.00 0.00 H new ATOM 757 N LEU A 46 2.639 5.982 7.471 1.00 0.00 N ATOM 758 CA LEU A 46 2.517 5.075 6.348 1.00 0.00 C ATOM 759 C LEU A 46 3.011 3.673 6.716 1.00 0.00 C ATOM 760 O LEU A 46 2.430 2.675 6.288 1.00 0.00 O ATOM 761 CB LEU A 46 3.243 5.735 5.159 1.00 0.00 C ATOM 762 CG LEU A 46 3.032 5.105 3.780 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.850 3.820 3.602 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.541 4.879 3.524 1.00 0.00 C ATOM 0 H LEU A 46 3.518 6.500 7.473 1.00 0.00 H new ATOM 0 HA LEU A 46 1.479 4.911 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.929 6.778 5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.312 5.734 5.372 1.00 0.00 H new ATOM 0 HG LEU A 46 3.401 5.803 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.669 3.408 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.911 4.045 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.553 3.092 4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.405 4.431 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.138 4.212 4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.016 5.834 3.564 1.00 0.00 H new ATOM 776 N ARG A 47 4.059 3.589 7.537 1.00 0.00 N ATOM 777 CA ARG A 47 4.666 2.339 7.977 1.00 0.00 C ATOM 778 C ARG A 47 3.979 1.757 9.219 1.00 0.00 C ATOM 779 O ARG A 47 4.243 0.613 9.585 1.00 0.00 O ATOM 780 CB ARG A 47 6.173 2.575 8.172 1.00 0.00 C ATOM 781 CG ARG A 47 7.033 1.315 7.981 1.00 0.00 C ATOM 782 CD ARG A 47 7.658 0.802 9.282 1.00 0.00 C ATOM 783 NE ARG A 47 8.601 -0.295 8.990 1.00 0.00 N ATOM 784 CZ ARG A 47 8.949 -1.300 9.815 1.00 0.00 C ATOM 785 NH1 ARG A 47 8.427 -1.366 11.044 1.00 0.00 N ATOM 786 NH2 ARG A 47 9.821 -2.234 9.407 1.00 0.00 N ATOM 0 H ARG A 47 4.519 4.413 7.923 1.00 0.00 H new ATOM 0 HA ARG A 47 4.526 1.576 7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.505 3.339 7.469 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.342 2.969 9.174 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.418 0.527 7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.827 1.531 7.266 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.178 1.614 9.790 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.877 0.452 9.957 1.00 0.00 H new ATOM 0 HE ARG A 47 9.034 -0.291 8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.765 -0.655 11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.690 -2.127 11.670 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.221 -2.183 8.470 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.084 -2.995 10.033 1.00 0.00 H new ATOM 800 N GLU A 48 3.083 2.532 9.835 1.00 0.00 N ATOM 801 CA GLU A 48 2.319 2.223 11.033 1.00 0.00 C ATOM 802 C GLU A 48 1.727 0.819 11.000 1.00 0.00 C ATOM 803 O GLU A 48 1.894 0.042 11.938 1.00 0.00 O ATOM 804 CB GLU A 48 1.225 3.296 11.191 1.00 0.00 C ATOM 805 CG GLU A 48 1.488 4.247 12.364 1.00 0.00 C ATOM 806 CD GLU A 48 1.038 3.627 13.680 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.183 3.690 13.933 1.00 0.00 O ATOM 808 OE2 GLU A 48 1.909 3.076 14.386 1.00 0.00 O ATOM 0 H GLU A 48 2.860 3.461 9.477 1.00 0.00 H new ATOM 0 HA GLU A 48 2.985 2.237 11.896 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.154 3.874 10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.262 2.807 11.335 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.551 4.484 12.414 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.960 5.186 12.201 1.00 0.00 H new ATOM 815 N GLN A 49 1.017 0.496 9.918 1.00 0.00 N ATOM 816 CA GLN A 49 0.452 -0.832 9.749 1.00 0.00 C ATOM 817 C GLN A 49 1.402 -1.659 8.895 1.00 0.00 C ATOM 818 O GLN A 49 2.031 -2.599 9.381 1.00 0.00 O ATOM 819 CB GLN A 49 -0.948 -0.720 9.130 1.00 0.00 C ATOM 820 CG GLN A 49 -1.996 -0.283 10.163 1.00 0.00 C ATOM 821 CD GLN A 49 -2.259 -1.370 11.205 1.00 0.00 C ATOM 822 OE1 GLN A 49 -2.973 -2.330 10.938 1.00 0.00 O ATOM 823 NE2 GLN A 49 -1.672 -1.249 12.392 1.00 0.00 N ATOM 0 H GLN A 49 0.823 1.139 9.150 1.00 0.00 H new ATOM 0 HA GLN A 49 0.338 -1.334 10.710 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.926 -0.003 8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.235 -1.682 8.705 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.656 0.624 10.663 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.927 -0.036 9.653 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.082 -0.440 12.589 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.811 -1.965 13.105 1.00 0.00 H new ATOM 832 N ALA A 50 1.487 -1.277 7.619 1.00 0.00 N ATOM 833 CA ALA A 50 2.192 -1.995 6.567 1.00 0.00 C ATOM 834 C ALA A 50 1.666 -3.430 6.351 1.00 0.00 C ATOM 835 O ALA A 50 1.098 -4.052 7.244 1.00 0.00 O ATOM 836 CB ALA A 50 3.697 -1.938 6.833 1.00 0.00 C ATOM 0 H ALA A 50 1.046 -0.422 7.281 1.00 0.00 H new ATOM 0 HA ALA A 50 1.993 -1.495 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.226 -2.475 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.025 -0.899 6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.914 -2.399 7.796 1.00 0.00 H new ATOM 842 N GLY A 51 1.842 -3.950 5.133 1.00 0.00 N ATOM 843 CA GLY A 51 1.483 -5.300 4.705 1.00 0.00 C ATOM 844 C GLY A 51 0.158 -5.802 5.279 1.00 0.00 C ATOM 845 O GLY A 51 0.107 -6.855 5.912 1.00 0.00 O ATOM 0 H GLY A 51 2.263 -3.408 4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.428 -5.322 3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.277 -5.986 4.998 1.00 0.00 H new ATOM 849 N GLY A 52 -0.918 -5.054 5.036 1.00 0.00 N ATOM 850 CA GLY A 52 -2.258 -5.347 5.498 1.00 0.00 C ATOM 851 C GLY A 52 -3.172 -4.307 4.866 1.00 0.00 C ATOM 852 O GLY A 52 -2.671 -3.393 4.199 1.00 0.00 O ATOM 0 H GLY A 52 -0.869 -4.194 4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.557 -6.354 5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.312 -5.301 6.586 1.00 0.00 H new ATOM 856 N ASP A 53 -4.487 -4.455 5.056 1.00 0.00 N ATOM 857 CA ASP A 53 -5.450 -3.468 4.589 1.00 0.00 C ATOM 858 C ASP A 53 -5.229 -2.166 5.335 1.00 0.00 C ATOM 859 O ASP A 53 -5.640 -2.007 6.482 1.00 0.00 O ATOM 860 CB ASP A 53 -6.907 -3.927 4.710 1.00 0.00 C ATOM 861 CG ASP A 53 -7.786 -2.899 4.002 1.00 0.00 C ATOM 862 OD1 ASP A 53 -8.054 -1.829 4.592 1.00 0.00 O ATOM 863 OD2 ASP A 53 -8.088 -3.145 2.815 1.00 0.00 O ATOM 0 H ASP A 53 -4.904 -5.254 5.533 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.278 -3.326 3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.035 -4.912 4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.193 -4.015 5.758 1.00 0.00 H new ATOM 868 N ALA A 54 -4.551 -1.247 4.659 1.00 0.00 N ATOM 869 CA ALA A 54 -4.478 0.130 5.085 1.00 0.00 C ATOM 870 C ALA A 54 -5.570 0.944 4.385 1.00 0.00 C ATOM 871 O ALA A 54 -5.638 2.152 4.604 1.00 0.00 O ATOM 872 CB ALA A 54 -3.071 0.647 4.795 1.00 0.00 C ATOM 0 H ALA A 54 -4.038 -1.444 3.800 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.657 0.225 6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.994 1.688 5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.343 0.048 5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.870 0.575 3.726 1.00 0.00 H new ATOM 878 N THR A 55 -6.415 0.317 3.548 1.00 0.00 N ATOM 879 CA THR A 55 -7.528 0.981 2.887 1.00 0.00 C ATOM 880 C THR A 55 -8.352 1.755 3.905 1.00 0.00 C ATOM 881 O THR A 55 -8.524 2.959 3.737 1.00 0.00 O ATOM 882 CB THR A 55 -8.430 0.005 2.109 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.675 -0.954 1.403 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.278 0.784 1.100 1.00 0.00 C ATOM 0 H THR A 55 -6.335 -0.673 3.316 1.00 0.00 H new ATOM 0 HA THR A 55 -7.100 1.668 2.157 1.00 0.00 H new ATOM 0 HB THR A 55 -9.060 -0.508 2.836 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.959 -1.854 1.668 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.916 0.092 0.550 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.898 1.508 1.628 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.624 1.307 0.402 1.00 0.00 H new ATOM 892 N GLU A 56 -8.820 1.084 4.965 1.00 0.00 N ATOM 893 CA GLU A 56 -9.565 1.751 6.032 1.00 0.00 C ATOM 894 C GLU A 56 -8.850 3.027 6.495 1.00 0.00 C ATOM 895 O GLU A 56 -9.464 4.083 6.581 1.00 0.00 O ATOM 896 CB GLU A 56 -9.809 0.787 7.204 1.00 0.00 C ATOM 897 CG GLU A 56 -11.047 -0.100 6.978 1.00 0.00 C ATOM 898 CD GLU A 56 -12.173 0.251 7.948 1.00 0.00 C ATOM 899 OE1 GLU A 56 -12.172 -0.329 9.057 1.00 0.00 O ATOM 900 OE2 GLU A 56 -13.009 1.095 7.562 1.00 0.00 O ATOM 0 H GLU A 56 -8.694 0.081 5.104 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.535 2.050 5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.931 0.155 7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.937 1.359 8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.398 0.019 5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.773 -1.148 7.102 1.00 0.00 H new ATOM 907 N ASN A 57 -7.543 2.951 6.751 1.00 0.00 N ATOM 908 CA ASN A 57 -6.772 4.083 7.261 1.00 0.00 C ATOM 909 C ASN A 57 -6.717 5.216 6.225 1.00 0.00 C ATOM 910 O ASN A 57 -6.972 6.385 6.512 1.00 0.00 O ATOM 911 CB ASN A 57 -5.366 3.593 7.642 1.00 0.00 C ATOM 912 CG ASN A 57 -4.815 4.355 8.842 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.594 5.558 8.774 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.574 3.657 9.949 1.00 0.00 N ATOM 0 H ASN A 57 -6.991 2.105 6.611 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.256 4.490 8.149 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.400 2.528 7.871 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.694 3.715 6.792 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.194 4.123 10.773 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.769 2.656 9.973 1.00 0.00 H new ATOM 921 N PHE A 58 -6.393 4.848 4.986 1.00 0.00 N ATOM 922 CA PHE A 58 -6.329 5.745 3.841 1.00 0.00 C ATOM 923 C PHE A 58 -7.677 6.444 3.591 1.00 0.00 C ATOM 924 O PHE A 58 -7.686 7.641 3.293 1.00 0.00 O ATOM 925 CB PHE A 58 -5.813 4.940 2.638 1.00 0.00 C ATOM 926 CG PHE A 58 -6.011 5.555 1.265 1.00 0.00 C ATOM 927 CD1 PHE A 58 -7.178 5.251 0.542 1.00 0.00 C ATOM 928 CD2 PHE A 58 -5.013 6.351 0.672 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.395 5.817 -0.724 1.00 0.00 C ATOM 930 CE2 PHE A 58 -5.222 6.907 -0.603 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.421 6.654 -1.295 1.00 0.00 C ATOM 0 H PHE A 58 -6.161 3.884 4.747 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.633 6.562 4.030 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.747 4.763 2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.302 3.966 2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.911 4.579 0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.087 6.535 1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.310 5.609 -1.259 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.461 7.529 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.592 7.102 -2.263 1.00 0.00 H new ATOM 941 N GLU A 59 -8.790 5.709 3.722 1.00 0.00 N ATOM 942 CA GLU A 59 -10.153 6.187 3.496 1.00 0.00 C ATOM 943 C GLU A 59 -10.679 6.979 4.697 1.00 0.00 C ATOM 944 O GLU A 59 -11.413 7.942 4.499 1.00 0.00 O ATOM 945 CB GLU A 59 -11.097 5.022 3.145 1.00 0.00 C ATOM 946 CG GLU A 59 -11.115 4.694 1.636 1.00 0.00 C ATOM 947 CD GLU A 59 -11.852 5.726 0.772 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.654 6.494 1.343 1.00 0.00 O ATOM 949 OE2 GLU A 59 -11.621 5.731 -0.460 1.00 0.00 O ATOM 0 H GLU A 59 -8.760 4.728 3.999 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.124 6.866 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.793 4.135 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.108 5.270 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.087 4.610 1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.582 3.719 1.494 1.00 0.00 H new ATOM 956 N ASP A 60 -10.281 6.637 5.927 1.00 0.00 N ATOM 957 CA ASP A 60 -10.573 7.442 7.111 1.00 0.00 C ATOM 958 C ASP A 60 -10.151 8.891 6.847 1.00 0.00 C ATOM 959 O ASP A 60 -10.962 9.816 6.888 1.00 0.00 O ATOM 960 CB ASP A 60 -9.847 6.849 8.328 1.00 0.00 C ATOM 961 CG ASP A 60 -10.158 7.609 9.613 1.00 0.00 C ATOM 962 OD1 ASP A 60 -9.857 8.821 9.652 1.00 0.00 O ATOM 963 OD2 ASP A 60 -10.690 6.963 10.540 1.00 0.00 O ATOM 0 H ASP A 60 -9.746 5.792 6.127 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.642 7.432 7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.135 5.805 8.447 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.772 6.865 8.150 1.00 0.00 H new ATOM 968 N VAL A 61 -8.880 9.066 6.472 1.00 0.00 N ATOM 969 CA VAL A 61 -8.344 10.367 6.087 1.00 0.00 C ATOM 970 C VAL A 61 -8.890 10.817 4.719 1.00 0.00 C ATOM 971 O VAL A 61 -8.811 11.995 4.370 1.00 0.00 O ATOM 972 CB VAL A 61 -6.804 10.327 6.148 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.180 11.679 5.771 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.348 9.970 7.571 1.00 0.00 C ATOM 0 H VAL A 61 -8.198 8.309 6.428 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.679 11.125 6.795 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.474 9.575 5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.094 11.607 5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.474 11.945 4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.529 12.446 6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.259 9.943 7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.717 10.721 8.270 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.745 8.993 7.846 1.00 0.00 H new ATOM 984 N GLY A 62 -9.435 9.903 3.915 1.00 0.00 N ATOM 985 CA GLY A 62 -10.110 10.206 2.660 1.00 0.00 C ATOM 986 C GLY A 62 -9.120 10.367 1.510 1.00 0.00 C ATOM 987 O GLY A 62 -9.282 9.734 0.467 1.00 0.00 O ATOM 0 H GLY A 62 -9.417 8.906 4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.815 9.409 2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.691 11.122 2.771 1.00 0.00 H new ATOM 991 N HIS A 63 -8.118 11.231 1.714 1.00 0.00 N ATOM 992 CA HIS A 63 -7.095 11.619 0.746 1.00 0.00 C ATOM 993 C HIS A 63 -7.670 12.381 -0.457 1.00 0.00 C ATOM 994 O HIS A 63 -8.809 12.166 -0.883 1.00 0.00 O ATOM 995 CB HIS A 63 -6.262 10.416 0.278 1.00 0.00 C ATOM 996 CG HIS A 63 -5.198 9.966 1.244 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.356 9.104 2.304 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.863 10.241 1.121 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.126 8.879 2.809 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.175 9.536 2.111 1.00 0.00 N ATOM 0 H HIS A 63 -7.996 11.702 2.610 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.433 12.305 1.274 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.934 9.580 0.086 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.788 10.668 -0.670 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.234 8.711 2.643 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.417 10.892 0.384 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.926 8.252 3.665 1.00 0.00 H new ATOM 1008 N SER A 64 -6.862 13.275 -1.037 1.00 0.00 N ATOM 1009 CA SER A 64 -7.249 13.997 -2.238 1.00 0.00 C ATOM 1010 C SER A 64 -7.082 13.099 -3.465 1.00 0.00 C ATOM 1011 O SER A 64 -6.442 12.047 -3.411 1.00 0.00 O ATOM 1012 CB SER A 64 -6.419 15.275 -2.363 1.00 0.00 C ATOM 1013 OG SER A 64 -6.539 16.025 -1.172 1.00 0.00 O ATOM 0 H SER A 64 -5.934 13.511 -0.687 1.00 0.00 H new ATOM 0 HA SER A 64 -8.299 14.281 -2.172 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.374 15.027 -2.547 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.762 15.864 -3.214 1.00 0.00 H new ATOM 0 HG SER A 64 -6.007 16.845 -1.247 1.00 0.00 H new ATOM 1019 N THR A 65 -7.672 13.501 -4.592 1.00 0.00 N ATOM 1020 CA THR A 65 -7.635 12.690 -5.800 1.00 0.00 C ATOM 1021 C THR A 65 -6.205 12.542 -6.332 1.00 0.00 C ATOM 1022 O THR A 65 -5.871 11.492 -6.880 1.00 0.00 O ATOM 1023 CB THR A 65 -8.652 13.194 -6.834 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.056 12.119 -7.657 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.128 14.347 -7.695 1.00 0.00 C ATOM 0 H THR A 65 -8.178 14.381 -4.689 1.00 0.00 H new ATOM 0 HA THR A 65 -7.950 11.676 -5.555 1.00 0.00 H new ATOM 0 HB THR A 65 -9.501 13.591 -6.277 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.706 12.439 -8.317 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.899 14.652 -8.403 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.869 15.190 -7.055 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.243 14.020 -8.241 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.347 13.545 -6.115 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.916 13.470 -6.376 1.00 0.00 C ATOM 1035 C ASP A 66 -3.358 12.138 -5.890 1.00 0.00 C ATOM 1036 O ASP A 66 -2.728 11.401 -6.646 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.215 14.631 -5.663 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.717 15.962 -6.191 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -4.905 16.240 -5.903 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -2.930 16.640 -6.885 1.00 0.00 O ATOM 0 H ASP A 66 -5.641 14.449 -5.745 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.739 13.542 -7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.395 14.568 -4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.137 14.558 -5.810 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.637 11.801 -4.629 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.212 10.540 -4.055 1.00 0.00 C ATOM 1047 C ALA A 67 -3.778 9.353 -4.839 1.00 0.00 C ATOM 1048 O ALA A 67 -3.059 8.386 -5.050 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.600 10.468 -2.580 1.00 0.00 C ATOM 0 H ALA A 67 -4.161 12.396 -3.987 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.126 10.484 -4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.274 9.515 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.121 11.283 -2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.682 10.554 -2.484 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.038 9.392 -5.289 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.639 8.291 -6.052 1.00 0.00 C ATOM 1057 C ARG A 68 -4.908 8.009 -7.368 1.00 0.00 C ATOM 1058 O ARG A 68 -4.908 6.861 -7.837 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.116 8.550 -6.376 1.00 0.00 C ATOM 1060 CG ARG A 68 -8.008 8.488 -5.137 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.485 8.582 -5.549 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.383 8.318 -4.409 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.676 9.175 -3.414 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -10.220 10.433 -3.468 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.415 8.767 -2.375 1.00 0.00 N ATOM 0 H ARG A 68 -5.666 10.181 -5.136 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.549 7.422 -5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.216 9.530 -6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.459 7.814 -7.104 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.831 7.558 -4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.759 9.303 -4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.689 9.574 -5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.688 7.867 -6.346 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.824 7.399 -4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.654 10.737 -4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.439 11.087 -2.717 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.756 7.806 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.637 9.417 -1.621 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.357 9.050 -7.996 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.564 8.897 -9.206 1.00 0.00 C ATOM 1081 C GLU A 69 -2.132 8.498 -8.852 1.00 0.00 C ATOM 1082 O GLU A 69 -1.614 7.513 -9.376 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.615 10.172 -10.049 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.049 10.436 -10.523 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.074 11.509 -11.601 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.716 11.154 -12.744 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -5.453 12.648 -11.260 1.00 0.00 O ATOM 0 H GLU A 69 -4.450 10.015 -7.678 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.988 8.096 -9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.256 11.018 -9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.952 10.075 -10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.484 9.515 -10.911 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.664 10.748 -9.679 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.501 9.220 -7.925 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.143 8.925 -7.481 1.00 0.00 C ATOM 1096 C LEU A 70 -0.046 7.474 -6.993 1.00 0.00 C ATOM 1097 O LEU A 70 0.938 6.784 -7.240 1.00 0.00 O ATOM 1098 CB LEU A 70 0.282 9.926 -6.395 1.00 0.00 C ATOM 1099 CG LEU A 70 1.810 10.053 -6.293 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.377 10.897 -7.443 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.194 10.721 -4.967 1.00 0.00 C ATOM 0 H LEU A 70 -1.920 10.026 -7.462 1.00 0.00 H new ATOM 0 HA LEU A 70 0.545 9.033 -8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.149 10.903 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.120 9.609 -5.433 1.00 0.00 H new ATOM 0 HG LEU A 70 2.227 9.048 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.460 10.968 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.131 10.427 -8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.943 11.896 -7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.279 10.807 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.748 11.714 -4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.829 10.117 -4.136 1.00 0.00 H new ATOM 1113 N SER A 71 -1.106 6.989 -6.348 1.00 0.00 N ATOM 1114 CA SER A 71 -1.271 5.593 -5.991 1.00 0.00 C ATOM 1115 C SER A 71 -1.036 4.705 -7.214 1.00 0.00 C ATOM 1116 O SER A 71 -0.219 3.793 -7.160 1.00 0.00 O ATOM 1117 CB SER A 71 -2.658 5.379 -5.369 1.00 0.00 C ATOM 1118 OG SER A 71 -2.715 4.137 -4.715 1.00 0.00 O ATOM 0 H SER A 71 -1.888 7.575 -6.055 1.00 0.00 H new ATOM 0 HA SER A 71 -0.529 5.310 -5.244 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.874 6.180 -4.662 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.422 5.424 -6.145 1.00 0.00 H new ATOM 0 HG SER A 71 -2.425 3.430 -5.329 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.700 4.979 -8.344 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.500 4.203 -9.562 1.00 0.00 C ATOM 1126 C LYS A 72 -0.022 4.181 -9.961 1.00 0.00 C ATOM 1127 O LYS A 72 0.510 3.128 -10.291 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.382 4.707 -10.717 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.459 3.681 -11.108 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.679 3.802 -10.186 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.614 4.904 -10.709 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.548 5.384 -9.672 1.00 0.00 N ATOM 0 H LYS A 72 -2.380 5.734 -8.434 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.808 3.179 -9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.860 5.642 -10.427 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.757 4.924 -11.583 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.761 3.840 -12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.048 2.673 -11.047 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.210 2.851 -10.142 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.358 4.035 -9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.018 5.741 -11.073 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.182 4.523 -11.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.275 5.984 -10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.003 4.570 -9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.025 5.936 -8.963 1.00 0.00 H new ATOM 1146 N THR A 73 0.666 5.318 -9.889 1.00 0.00 N ATOM 1147 CA THR A 73 2.102 5.386 -10.127 1.00 0.00 C ATOM 1148 C THR A 73 2.919 4.443 -9.215 1.00 0.00 C ATOM 1149 O THR A 73 4.041 4.093 -9.572 1.00 0.00 O ATOM 1150 CB THR A 73 2.523 6.864 -10.060 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.133 7.508 -11.256 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.011 7.090 -9.818 1.00 0.00 C ATOM 0 H THR A 73 0.241 6.218 -9.664 1.00 0.00 H new ATOM 0 HA THR A 73 2.331 5.006 -11.123 1.00 0.00 H new ATOM 0 HB THR A 73 2.017 7.288 -9.192 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.396 8.451 -11.220 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.216 8.160 -9.786 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.298 6.637 -8.869 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.584 6.635 -10.626 1.00 0.00 H new ATOM 1160 N TYR A 74 2.374 3.995 -8.078 1.00 0.00 N ATOM 1161 CA TYR A 74 3.021 3.050 -7.168 1.00 0.00 C ATOM 1162 C TYR A 74 2.458 1.633 -7.315 1.00 0.00 C ATOM 1163 O TYR A 74 2.830 0.736 -6.554 1.00 0.00 O ATOM 1164 CB TYR A 74 2.844 3.539 -5.726 1.00 0.00 C ATOM 1165 CG TYR A 74 3.684 4.751 -5.377 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.088 4.664 -5.426 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.074 5.972 -5.040 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.870 5.825 -5.301 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.860 7.123 -4.870 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.248 7.064 -5.074 1.00 0.00 C ATOM 1171 OH TYR A 74 5.976 8.215 -5.086 1.00 0.00 O ATOM 0 H TYR A 74 1.450 4.288 -7.760 1.00 0.00 H new ATOM 0 HA TYR A 74 4.080 3.004 -7.423 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.793 3.779 -5.561 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.096 2.727 -5.044 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.565 3.704 -5.560 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.003 6.025 -4.912 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.945 5.765 -5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.396 8.055 -4.582 1.00 0.00 H new ATOM 0 HH TYR A 74 5.806 8.718 -4.262 1.00 0.00 H new ATOM 1181 N ILE A 75 1.538 1.421 -8.258 1.00 0.00 N ATOM 1182 CA ILE A 75 0.882 0.137 -8.434 1.00 0.00 C ATOM 1183 C ILE A 75 1.912 -0.881 -8.905 1.00 0.00 C ATOM 1184 O ILE A 75 2.471 -0.766 -9.994 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.356 0.271 -9.344 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.423 -0.782 -8.990 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.048 0.207 -10.851 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.818 -0.353 -9.455 1.00 0.00 C ATOM 0 H ILE A 75 1.232 2.137 -8.917 1.00 0.00 H new ATOM 0 HA ILE A 75 0.486 -0.231 -7.487 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.738 1.273 -9.148 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.162 -1.734 -9.452 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.432 -0.943 -7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.974 0.309 -11.416 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.631 1.016 -11.118 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.417 -0.750 -11.087 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.543 -1.122 -9.187 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.090 0.586 -8.973 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.815 -0.218 -10.537 1.00 0.00 H new ATOM 1200 N ILE A 76 2.195 -1.871 -8.063 1.00 0.00 N ATOM 1201 CA ILE A 76 3.110 -2.937 -8.433 1.00 0.00 C ATOM 1202 C ILE A 76 2.343 -4.063 -9.111 1.00 0.00 C ATOM 1203 O ILE A 76 2.884 -4.700 -10.009 1.00 0.00 O ATOM 1204 CB ILE A 76 3.912 -3.432 -7.224 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.022 -3.639 -5.987 1.00 0.00 C ATOM 1206 CG2 ILE A 76 5.059 -2.456 -6.940 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.745 -4.428 -4.899 1.00 0.00 C ATOM 0 H ILE A 76 1.804 -1.954 -7.125 1.00 0.00 H new ATOM 0 HA ILE A 76 3.837 -2.545 -9.145 1.00 0.00 H new ATOM 0 HB ILE A 76 4.331 -4.410 -7.462 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.716 -2.670 -5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.113 -4.166 -6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.630 -2.806 -6.080 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.712 -2.399 -7.811 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.651 -1.468 -6.726 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.084 -4.554 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.028 -5.407 -5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.640 -3.887 -4.591 1.00 0.00 H new ATOM 1219 N GLY A 77 1.104 -4.308 -8.678 1.00 0.00 N ATOM 1220 CA GLY A 77 0.284 -5.424 -9.104 1.00 0.00 C ATOM 1221 C GLY A 77 -1.020 -5.383 -8.307 1.00 0.00 C ATOM 1222 O GLY A 77 -1.429 -4.304 -7.865 1.00 0.00 O ATOM 0 H GLY A 77 0.636 -3.709 -7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.080 -5.361 -10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.805 -6.366 -8.934 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.661 -6.538 -8.105 1.00 0.00 N ATOM 1227 CA GLU A 78 -2.998 -6.614 -7.530 1.00 0.00 C ATOM 1228 C GLU A 78 -3.103 -7.641 -6.405 1.00 0.00 C ATOM 1229 O GLU A 78 -2.167 -8.389 -6.138 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.056 -6.831 -8.627 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.309 -5.556 -9.451 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.663 -5.542 -10.161 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.327 -6.603 -10.188 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -6.034 -4.445 -10.637 1.00 0.00 O ATOM 0 H GLU A 78 -1.262 -7.447 -8.338 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.202 -5.651 -7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.730 -7.632 -9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.990 -7.157 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.245 -4.690 -8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.518 -5.451 -10.194 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.241 -7.633 -5.706 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.538 -8.577 -4.643 1.00 0.00 C ATOM 1243 C LEU A 79 -4.992 -9.893 -5.279 1.00 0.00 C ATOM 1244 O LEU A 79 -5.900 -9.871 -6.110 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.627 -7.952 -3.761 1.00 0.00 C ATOM 1246 CG LEU A 79 -6.145 -8.883 -2.660 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -4.995 -9.400 -1.793 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -7.145 -8.119 -1.785 1.00 0.00 C ATOM 0 H LEU A 79 -4.988 -6.958 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.668 -8.791 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.233 -7.046 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.463 -7.651 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.632 -9.739 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.390 -10.058 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.291 -9.952 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.484 -8.558 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.517 -8.776 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.651 -7.258 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.979 -7.778 -2.398 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.351 -11.016 -4.928 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.592 -12.323 -5.535 1.00 0.00 C ATOM 1262 C HIS A 80 -6.091 -12.646 -5.612 1.00 0.00 C ATOM 1263 O HIS A 80 -6.822 -12.353 -4.666 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.841 -13.390 -4.725 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.481 -14.633 -5.492 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -3.969 -15.901 -5.273 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.513 -14.723 -6.457 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.331 -16.729 -6.117 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.440 -16.057 -6.863 1.00 0.00 N ATOM 0 H HIS A 80 -3.637 -11.037 -4.200 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.222 -12.311 -6.560 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.927 -12.948 -4.329 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.454 -13.674 -3.870 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.914 -13.908 -6.836 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.511 -17.792 -6.186 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.831 -16.444 -7.584 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.565 -13.273 -6.706 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.980 -13.555 -6.892 1.00 0.00 C ATOM 1279 C PRO A 81 -8.545 -14.524 -5.840 1.00 0.00 C ATOM 1280 O PRO A 81 -9.762 -14.645 -5.719 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.133 -14.064 -8.328 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.741 -14.574 -8.694 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.801 -13.706 -7.865 1.00 0.00 C ATOM 0 HA PRO A 81 -8.573 -12.653 -6.744 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.878 -14.857 -8.392 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.456 -13.269 -9.000 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.626 -15.631 -8.452 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.545 -14.469 -9.761 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.918 -14.269 -7.561 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.451 -12.850 -8.442 1.00 0.00 H new