USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 LYS NZ :NH3+ -179:sc= 0.927 (180deg=0) USER MOD Set 1.2: A 81 THR OG1 : rot 96:sc= 2.08 USER MOD Single : A 6 THR OG1 : rot 31:sc= 0.202 USER MOD Single : A 8 GLN : amide:sc= 0.442 X(o=0.44,f=-0.047) USER MOD Single : A 15 GLN : amide:sc= 1.11 K(o=1.1,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0368 X(o=-0.037,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -26:sc= 0.253 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 21:sc= 1.26 USER MOD Single : A 75 TYR OH : rot 57:sc= -0.137 USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc=-0.00913 X(o=-0.0091,f=-0.0091) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.077 -6.418 1.220 1.00 0.00 N ATOM 83 CA THR A 6 9.765 -7.055 2.496 1.00 0.00 C ATOM 84 C THR A 6 10.887 -8.032 2.855 1.00 0.00 C ATOM 85 O THR A 6 11.796 -8.245 2.053 1.00 0.00 O ATOM 86 CB THR A 6 8.410 -7.760 2.380 1.00 0.00 C ATOM 87 OG1 THR A 6 7.433 -6.839 1.948 1.00 0.00 O ATOM 88 CG2 THR A 6 7.934 -8.336 3.711 1.00 0.00 C ATOM 0 HA THR A 6 9.696 -6.316 3.294 1.00 0.00 H new ATOM 0 HB THR A 6 8.543 -8.576 1.669 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.852 -6.161 1.378 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.969 -8.824 3.572 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.660 -9.064 4.073 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.832 -7.532 4.440 1.00 0.00 H new ATOM 96 N ASP A 7 10.837 -8.631 4.047 1.00 0.00 N ATOM 97 CA ASP A 7 11.867 -9.553 4.523 1.00 0.00 C ATOM 98 C ASP A 7 12.100 -10.718 3.559 1.00 0.00 C ATOM 99 O ASP A 7 13.121 -11.390 3.650 1.00 0.00 O ATOM 100 CB ASP A 7 11.467 -10.081 5.904 1.00 0.00 C ATOM 101 CG ASP A 7 10.142 -10.842 5.867 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.143 -12.005 5.407 1.00 0.00 O ATOM 103 OD2 ASP A 7 9.133 -10.242 6.305 1.00 0.00 O ATOM 0 H ASP A 7 10.076 -8.488 4.711 1.00 0.00 H new ATOM 0 HA ASP A 7 12.806 -9.004 4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.251 -10.737 6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.386 -9.247 6.601 1.00 0.00 H new ATOM 108 N GLN A 8 11.165 -10.963 2.636 1.00 0.00 N ATOM 109 CA GLN A 8 11.324 -12.007 1.643 1.00 0.00 C ATOM 110 C GLN A 8 12.455 -11.650 0.682 1.00 0.00 C ATOM 111 O GLN A 8 13.358 -12.452 0.453 1.00 0.00 O ATOM 112 CB GLN A 8 10.000 -12.172 0.887 1.00 0.00 C ATOM 113 CG GLN A 8 10.115 -13.182 -0.260 1.00 0.00 C ATOM 114 CD GLN A 8 10.490 -14.573 0.240 1.00 0.00 C ATOM 115 OE1 GLN A 8 9.618 -15.396 0.507 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.785 -14.846 0.370 1.00 0.00 N ATOM 0 H GLN A 8 10.289 -10.445 2.563 1.00 0.00 H new ATOM 0 HA GLN A 8 11.582 -12.948 2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.225 -12.498 1.581 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.687 -11.207 0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.167 -13.232 -0.795 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.865 -12.838 -0.972 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.481 -14.137 0.139 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.082 -15.764 0.701 1.00 0.00 H new ATOM 125 N VAL A 9 12.409 -10.442 0.118 1.00 0.00 N ATOM 126 CA VAL A 9 13.384 -10.004 -0.874 1.00 0.00 C ATOM 127 C VAL A 9 14.622 -9.420 -0.202 1.00 0.00 C ATOM 128 O VAL A 9 15.709 -9.436 -0.781 1.00 0.00 O ATOM 129 CB VAL A 9 12.719 -9.018 -1.844 1.00 0.00 C ATOM 130 CG1 VAL A 9 11.954 -7.926 -1.102 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.745 -8.354 -2.763 1.00 0.00 C ATOM 0 H VAL A 9 11.697 -9.745 0.337 1.00 0.00 H new ATOM 0 HA VAL A 9 13.727 -10.862 -1.452 1.00 0.00 H new ATOM 0 HB VAL A 9 12.022 -9.605 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.497 -7.248 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.176 -8.380 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.641 -7.369 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.237 -7.663 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.472 -7.808 -2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.258 -9.118 -3.347 1.00 0.00 H new ATOM 141 N LEU A 10 14.473 -8.905 1.022 1.00 0.00 N ATOM 142 CA LEU A 10 15.607 -8.391 1.768 1.00 0.00 C ATOM 143 C LEU A 10 16.538 -9.531 2.176 1.00 0.00 C ATOM 144 O LEU A 10 17.742 -9.318 2.291 1.00 0.00 O ATOM 145 CB LEU A 10 15.100 -7.631 2.997 1.00 0.00 C ATOM 146 CG LEU A 10 14.997 -6.129 2.743 1.00 0.00 C ATOM 147 CD1 LEU A 10 14.077 -5.795 1.570 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.462 -5.447 3.997 1.00 0.00 C ATOM 0 H LEU A 10 13.579 -8.837 1.509 1.00 0.00 H new ATOM 0 HA LEU A 10 16.176 -7.707 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.122 -8.017 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.772 -7.811 3.836 1.00 0.00 H new ATOM 0 HG LEU A 10 15.996 -5.771 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.040 -4.714 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.460 -6.263 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.074 -6.169 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.386 -4.374 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.477 -5.847 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.141 -5.632 4.830 1.00 0.00 H new ATOM 160 N VAL A 11 16.006 -10.737 2.392 1.00 0.00 N ATOM 161 CA VAL A 11 16.849 -11.872 2.746 1.00 0.00 C ATOM 162 C VAL A 11 17.478 -12.474 1.491 1.00 0.00 C ATOM 163 O VAL A 11 18.564 -13.045 1.561 1.00 0.00 O ATOM 164 CB VAL A 11 16.045 -12.909 3.536 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.844 -14.200 3.712 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.741 -12.361 4.931 1.00 0.00 C ATOM 0 H VAL A 11 15.010 -10.947 2.328 1.00 0.00 H new ATOM 0 HA VAL A 11 17.660 -11.529 3.389 1.00 0.00 H new ATOM 0 HB VAL A 11 15.128 -13.115 2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.252 -14.920 4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.085 -14.615 2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.766 -13.986 4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.169 -13.098 5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.676 -12.152 5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.162 -11.442 4.843 1.00 0.00 H new ATOM 176 N GLU A 12 16.822 -12.360 0.335 1.00 0.00 N ATOM 177 CA GLU A 12 17.386 -12.890 -0.896 1.00 0.00 C ATOM 178 C GLU A 12 18.571 -12.053 -1.370 1.00 0.00 C ATOM 179 O GLU A 12 19.528 -12.595 -1.921 1.00 0.00 O ATOM 180 CB GLU A 12 16.313 -12.908 -1.981 1.00 0.00 C ATOM 181 CG GLU A 12 15.320 -14.043 -1.747 1.00 0.00 C ATOM 182 CD GLU A 12 14.255 -14.070 -2.844 1.00 0.00 C ATOM 183 OE1 GLU A 12 13.221 -13.387 -2.667 1.00 0.00 O ATOM 184 OE2 GLU A 12 14.482 -14.775 -3.854 1.00 0.00 O ATOM 0 H GLU A 12 15.912 -11.911 0.231 1.00 0.00 H new ATOM 0 HA GLU A 12 17.739 -13.902 -0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.785 -11.954 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.781 -13.025 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.849 -14.996 -1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.843 -13.920 -0.775 1.00 0.00 H new ATOM 191 N ARG A 13 18.533 -10.732 -1.168 1.00 0.00 N ATOM 192 CA ARG A 13 19.597 -9.880 -1.683 1.00 0.00 C ATOM 193 C ARG A 13 20.805 -9.828 -0.751 1.00 0.00 C ATOM 194 O ARG A 13 21.907 -9.575 -1.230 1.00 0.00 O ATOM 195 CB ARG A 13 19.047 -8.502 -2.047 1.00 0.00 C ATOM 196 CG ARG A 13 18.736 -7.658 -0.815 1.00 0.00 C ATOM 197 CD ARG A 13 18.070 -6.354 -1.251 1.00 0.00 C ATOM 198 NE ARG A 13 18.951 -5.575 -2.130 1.00 0.00 N ATOM 199 CZ ARG A 13 18.630 -4.398 -2.671 1.00 0.00 C ATOM 200 NH1 ARG A 13 17.455 -3.827 -2.419 1.00 0.00 N ATOM 201 NH2 ARG A 13 19.498 -3.794 -3.472 1.00 0.00 N ATOM 0 H ARG A 13 17.794 -10.243 -0.663 1.00 0.00 H new ATOM 0 HA ARG A 13 19.976 -10.325 -2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 13 19.771 -7.978 -2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.141 -8.620 -2.641 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.079 -8.207 -0.140 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.653 -7.445 -0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.137 -6.575 -1.770 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.813 -5.762 -0.372 1.00 0.00 H new ATOM 0 HE ARG A 13 19.872 -5.960 -2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.785 -4.289 -1.805 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.225 -2.927 -2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 13 20.399 -4.229 -3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.264 -2.894 -3.892 1.00 0.00 H new ATOM 215 N VAL A 14 20.632 -10.065 0.554 1.00 0.00 N ATOM 216 CA VAL A 14 21.787 -10.161 1.444 1.00 0.00 C ATOM 217 C VAL A 14 22.528 -11.470 1.173 1.00 0.00 C ATOM 218 O VAL A 14 23.717 -11.575 1.470 1.00 0.00 O ATOM 219 CB VAL A 14 21.379 -10.071 2.917 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.722 -8.727 3.220 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.417 -11.183 3.309 1.00 0.00 C ATOM 0 H VAL A 14 19.726 -10.191 1.006 1.00 0.00 H new ATOM 0 HA VAL A 14 22.447 -9.317 1.241 1.00 0.00 H new ATOM 0 HB VAL A 14 22.295 -10.176 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.441 -8.688 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.423 -7.922 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.831 -8.610 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.153 -11.082 4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.515 -11.115 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.893 -12.150 3.146 1.00 0.00 H new ATOM 231 N GLN A 15 21.833 -12.465 0.608 1.00 0.00 N ATOM 232 CA GLN A 15 22.459 -13.711 0.190 1.00 0.00 C ATOM 233 C GLN A 15 23.181 -13.531 -1.145 1.00 0.00 C ATOM 234 O GLN A 15 24.127 -14.267 -1.436 1.00 0.00 O ATOM 235 CB GLN A 15 21.387 -14.794 0.064 1.00 0.00 C ATOM 236 CG GLN A 15 20.837 -15.199 1.432 1.00 0.00 C ATOM 237 CD GLN A 15 19.688 -16.197 1.301 1.00 0.00 C ATOM 238 OE1 GLN A 15 19.166 -16.428 0.212 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.278 -16.801 2.411 1.00 0.00 N ATOM 0 H GLN A 15 20.829 -12.424 0.432 1.00 0.00 H new ATOM 0 HA GLN A 15 23.195 -14.008 0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.573 -14.431 -0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.808 -15.668 -0.434 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.635 -15.638 2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.491 -14.312 1.963 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.728 -16.591 3.302 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.513 -17.474 2.372 1.00 0.00 H new ATOM 248 N LYS A 16 22.746 -12.562 -1.961 1.00 0.00 N ATOM 249 CA LYS A 16 23.371 -12.264 -3.244 1.00 0.00 C ATOM 250 C LYS A 16 24.498 -11.234 -3.128 1.00 0.00 C ATOM 251 O LYS A 16 25.199 -10.991 -4.112 1.00 0.00 O ATOM 252 CB LYS A 16 22.298 -11.842 -4.241 1.00 0.00 C ATOM 253 CG LYS A 16 21.469 -13.078 -4.591 1.00 0.00 C ATOM 254 CD LYS A 16 20.364 -12.756 -5.592 1.00 0.00 C ATOM 255 CE LYS A 16 19.296 -11.863 -4.961 1.00 0.00 C ATOM 256 NZ LYS A 16 18.213 -11.572 -5.920 1.00 0.00 N ATOM 0 H LYS A 16 21.948 -11.965 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 16 23.853 -13.170 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.664 -11.066 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.754 -11.422 -5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 16 22.121 -13.847 -5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 16 21.028 -13.489 -3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 16 20.791 -12.258 -6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 16 19.908 -13.681 -5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.883 -12.352 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.749 -10.930 -4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.501 -10.964 -5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.606 -11.084 -6.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.767 -12.462 -6.221 1.00 0.00 H new ATOM 270 N GLY A 17 24.683 -10.628 -1.950 1.00 0.00 N ATOM 271 CA GLY A 17 25.847 -9.790 -1.683 1.00 0.00 C ATOM 272 C GLY A 17 25.525 -8.381 -1.189 1.00 0.00 C ATOM 273 O GLY A 17 26.453 -7.635 -0.876 1.00 0.00 O ATOM 0 H GLY A 17 24.035 -10.706 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.471 -10.286 -0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.438 -9.713 -2.595 1.00 0.00 H new ATOM 277 N ASP A 18 24.248 -7.992 -1.105 1.00 0.00 N ATOM 278 CA ASP A 18 23.897 -6.665 -0.629 1.00 0.00 C ATOM 279 C ASP A 18 23.790 -6.669 0.893 1.00 0.00 C ATOM 280 O ASP A 18 22.698 -6.798 1.444 1.00 0.00 O ATOM 281 CB ASP A 18 22.577 -6.214 -1.266 1.00 0.00 C ATOM 282 CG ASP A 18 22.691 -5.905 -2.758 1.00 0.00 C ATOM 283 OD1 ASP A 18 23.821 -5.949 -3.296 1.00 0.00 O ATOM 284 OD2 ASP A 18 21.629 -5.616 -3.354 1.00 0.00 O ATOM 0 H ASP A 18 23.452 -8.577 -1.360 1.00 0.00 H new ATOM 0 HA ASP A 18 24.678 -5.961 -0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 18 21.829 -6.993 -1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.217 -5.326 -0.746 1.00 0.00 H new ATOM 289 N GLN A 19 24.924 -6.523 1.584 1.00 0.00 N ATOM 290 CA GLN A 19 24.941 -6.478 3.040 1.00 0.00 C ATOM 291 C GLN A 19 24.229 -5.215 3.531 1.00 0.00 C ATOM 292 O GLN A 19 23.772 -5.161 4.671 1.00 0.00 O ATOM 293 CB GLN A 19 26.400 -6.562 3.505 1.00 0.00 C ATOM 294 CG GLN A 19 26.528 -6.666 5.025 1.00 0.00 C ATOM 295 CD GLN A 19 26.465 -5.311 5.727 1.00 0.00 C ATOM 296 OE1 GLN A 19 26.567 -4.258 5.101 1.00 0.00 O ATOM 297 NE2 GLN A 19 26.300 -5.329 7.047 1.00 0.00 N ATOM 0 H GLN A 19 25.844 -6.434 1.152 1.00 0.00 H new ATOM 0 HA GLN A 19 24.400 -7.322 3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.875 -7.428 3.044 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.939 -5.680 3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.731 -7.304 5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.472 -7.152 5.271 1.00 0.00 H new ATOM 0 HE21 GLN A 19 26.218 -6.219 7.539 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.255 -4.453 7.567 1.00 0.00 H new ATOM 306 N LYS A 20 24.131 -4.200 2.664 1.00 0.00 N ATOM 307 CA LYS A 20 23.422 -2.965 2.951 1.00 0.00 C ATOM 308 C LYS A 20 21.944 -3.235 3.216 1.00 0.00 C ATOM 309 O LYS A 20 21.288 -2.450 3.895 1.00 0.00 O ATOM 310 CB LYS A 20 23.591 -2.015 1.762 1.00 0.00 C ATOM 311 CG LYS A 20 23.005 -2.624 0.484 1.00 0.00 C ATOM 312 CD LYS A 20 23.302 -1.736 -0.724 1.00 0.00 C ATOM 313 CE LYS A 20 22.716 -2.370 -1.986 1.00 0.00 C ATOM 314 NZ LYS A 20 23.009 -1.549 -3.176 1.00 0.00 N ATOM 0 H LYS A 20 24.550 -4.222 1.734 1.00 0.00 H new ATOM 0 HA LYS A 20 23.838 -2.508 3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.098 -1.067 1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.649 -1.797 1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.424 -3.617 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 20 21.928 -2.747 0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 20 22.876 -0.744 -0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.378 -1.607 -0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 20 23.128 -3.370 -2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 20 21.638 -2.482 -1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 22.601 -2.001 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 22.595 -0.603 -3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 24.039 -1.463 -3.294 1.00 0.00 H new ATOM 328 N ALA A 21 21.414 -4.341 2.687 1.00 0.00 N ATOM 329 CA ALA A 21 20.017 -4.683 2.882 1.00 0.00 C ATOM 330 C ALA A 21 19.818 -5.403 4.210 1.00 0.00 C ATOM 331 O ALA A 21 18.696 -5.455 4.710 1.00 0.00 O ATOM 332 CB ALA A 21 19.537 -5.544 1.719 1.00 0.00 C ATOM 0 H ALA A 21 21.937 -5.010 2.122 1.00 0.00 H new ATOM 0 HA ALA A 21 19.426 -3.767 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.488 -5.801 1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.648 -4.991 0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.131 -6.457 1.673 1.00 0.00 H new ATOM 338 N PHE A 22 20.888 -5.960 4.790 1.00 0.00 N ATOM 339 CA PHE A 22 20.780 -6.608 6.085 1.00 0.00 C ATOM 340 C PHE A 22 20.717 -5.540 7.169 1.00 0.00 C ATOM 341 O PHE A 22 20.012 -5.695 8.161 1.00 0.00 O ATOM 342 CB PHE A 22 21.954 -7.561 6.313 1.00 0.00 C ATOM 343 CG PHE A 22 21.803 -8.342 7.597 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.775 -9.288 7.714 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.676 -8.123 8.673 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.614 -10.009 8.905 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.518 -8.847 9.865 1.00 0.00 C ATOM 348 CZ PHE A 22 21.481 -9.784 9.983 1.00 0.00 C ATOM 0 H PHE A 22 21.823 -5.971 4.383 1.00 0.00 H new ATOM 0 HA PHE A 22 19.869 -7.205 6.120 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.029 -8.253 5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.883 -6.992 6.341 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.106 -9.462 6.884 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.470 -7.397 8.584 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.822 -10.738 8.992 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.194 -8.683 10.691 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.351 -10.332 10.904 1.00 0.00 H new ATOM 358 N ASN A 23 21.449 -4.441 6.979 1.00 0.00 N ATOM 359 CA ASN A 23 21.438 -3.335 7.918 1.00 0.00 C ATOM 360 C ASN A 23 20.041 -2.721 7.985 1.00 0.00 C ATOM 361 O ASN A 23 19.558 -2.372 9.062 1.00 0.00 O ATOM 362 CB ASN A 23 22.457 -2.311 7.423 1.00 0.00 C ATOM 363 CG ASN A 23 22.285 -0.960 8.102 1.00 0.00 C ATOM 364 OD1 ASN A 23 22.736 -0.757 9.226 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.626 -0.033 7.414 1.00 0.00 N ATOM 0 H ASN A 23 22.059 -4.300 6.174 1.00 0.00 H new ATOM 0 HA ASN A 23 21.698 -3.671 8.922 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.464 -2.684 7.608 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.355 -2.190 6.345 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.477 0.892 7.817 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.269 -0.247 6.483 1.00 0.00 H new ATOM 372 N LEU A 24 19.393 -2.592 6.827 1.00 0.00 N ATOM 373 CA LEU A 24 18.041 -2.064 6.742 1.00 0.00 C ATOM 374 C LEU A 24 17.013 -3.099 7.209 1.00 0.00 C ATOM 375 O LEU A 24 15.885 -2.743 7.536 1.00 0.00 O ATOM 376 CB LEU A 24 17.762 -1.651 5.296 1.00 0.00 C ATOM 377 CG LEU A 24 18.698 -0.532 4.827 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.467 -0.278 3.339 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.442 0.762 5.599 1.00 0.00 C ATOM 0 H LEU A 24 19.794 -2.852 5.926 1.00 0.00 H new ATOM 0 HA LEU A 24 17.955 -1.198 7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.876 -2.517 4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.728 -1.319 5.207 1.00 0.00 H new ATOM 0 HG LEU A 24 19.726 -0.845 5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.130 0.517 2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.675 -1.189 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.431 0.019 3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.121 1.538 5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.412 1.082 5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.610 0.591 6.662 1.00 0.00 H new ATOM 391 N LEU A 25 17.400 -4.375 7.241 1.00 0.00 N ATOM 392 CA LEU A 25 16.527 -5.446 7.697 1.00 0.00 C ATOM 393 C LEU A 25 16.553 -5.564 9.219 1.00 0.00 C ATOM 394 O LEU A 25 15.497 -5.654 9.839 1.00 0.00 O ATOM 395 CB LEU A 25 16.956 -6.748 7.009 1.00 0.00 C ATOM 396 CG LEU A 25 16.100 -7.953 7.402 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.655 -7.791 6.945 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.686 -9.194 6.733 1.00 0.00 C ATOM 0 H LEU A 25 18.326 -4.690 6.951 1.00 0.00 H new ATOM 0 HA LEU A 25 15.494 -5.227 7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.906 -6.613 5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.997 -6.955 7.256 1.00 0.00 H new ATOM 0 HG LEU A 25 16.105 -8.042 8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.079 -8.667 7.243 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.226 -6.901 7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.626 -7.689 5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.090 -10.067 7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.674 -9.064 5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.712 -9.339 7.070 1.00 0.00 H new ATOM 410 N VAL A 26 17.736 -5.563 9.842 1.00 0.00 N ATOM 411 CA VAL A 26 17.802 -5.769 11.283 1.00 0.00 C ATOM 412 C VAL A 26 17.230 -4.588 12.046 1.00 0.00 C ATOM 413 O VAL A 26 16.796 -4.773 13.178 1.00 0.00 O ATOM 414 CB VAL A 26 19.224 -6.054 11.773 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.832 -7.247 11.039 1.00 0.00 C ATOM 416 CG2 VAL A 26 20.127 -4.826 11.647 1.00 0.00 C ATOM 0 H VAL A 26 18.636 -5.425 9.382 1.00 0.00 H new ATOM 0 HA VAL A 26 17.193 -6.650 11.483 1.00 0.00 H new ATOM 0 HB VAL A 26 19.152 -6.303 12.832 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.842 -7.425 11.408 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.220 -8.132 11.214 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.868 -7.037 9.970 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.127 -5.071 12.005 1.00 0.00 H new ATOM 0 HG22 VAL A 26 20.181 -4.520 10.602 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.718 -4.011 12.243 1.00 0.00 H new ATOM 426 N VAL A 27 17.212 -3.385 11.465 1.00 0.00 N ATOM 427 CA VAL A 27 16.682 -2.230 12.184 1.00 0.00 C ATOM 428 C VAL A 27 15.169 -2.350 12.362 1.00 0.00 C ATOM 429 O VAL A 27 14.619 -1.804 13.318 1.00 0.00 O ATOM 430 CB VAL A 27 17.099 -0.928 11.495 1.00 0.00 C ATOM 431 CG1 VAL A 27 16.482 -0.802 10.104 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.697 0.284 12.336 1.00 0.00 C ATOM 0 H VAL A 27 17.550 -3.190 10.522 1.00 0.00 H new ATOM 0 HA VAL A 27 17.112 -2.207 13.185 1.00 0.00 H new ATOM 0 HB VAL A 27 18.184 -0.957 11.392 1.00 0.00 H new ATOM 0 HG11 VAL A 27 16.802 0.135 9.648 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.808 -1.637 9.484 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.395 -0.814 10.186 1.00 0.00 H new ATOM 0 HG21 VAL A 27 17.003 1.198 11.827 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.616 0.290 12.472 1.00 0.00 H new ATOM 0 HG23 VAL A 27 17.185 0.230 13.309 1.00 0.00 H new ATOM 442 N ARG A 28 14.487 -3.062 11.455 1.00 0.00 N ATOM 443 CA ARG A 28 13.057 -3.312 11.584 1.00 0.00 C ATOM 444 C ARG A 28 12.807 -4.216 12.784 1.00 0.00 C ATOM 445 O ARG A 28 11.784 -4.104 13.458 1.00 0.00 O ATOM 446 CB ARG A 28 12.525 -4.009 10.324 1.00 0.00 C ATOM 447 CG ARG A 28 12.929 -3.290 9.038 1.00 0.00 C ATOM 448 CD ARG A 28 12.333 -4.007 7.825 1.00 0.00 C ATOM 449 NE ARG A 28 10.865 -3.924 7.817 1.00 0.00 N ATOM 450 CZ ARG A 28 10.168 -2.889 7.338 1.00 0.00 C ATOM 451 NH1 ARG A 28 10.787 -1.824 6.827 1.00 0.00 N ATOM 452 NH2 ARG A 28 8.840 -2.913 7.367 1.00 0.00 N ATOM 0 H ARG A 28 14.910 -3.474 10.623 1.00 0.00 H new ATOM 0 HA ARG A 28 12.545 -2.359 11.716 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.897 -5.033 10.295 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.438 -4.067 10.377 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.583 -2.257 9.066 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.015 -3.260 8.955 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.728 -3.566 6.910 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.639 -5.053 7.833 1.00 0.00 H new ATOM 0 HE ARG A 28 10.343 -4.710 8.204 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.806 -1.792 6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.241 -1.042 6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.353 -3.721 7.755 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.308 -2.123 7.002 1.00 0.00 H new ATOM 466 N TYR A 29 13.756 -5.118 13.045 1.00 0.00 N ATOM 467 CA TYR A 29 13.663 -6.075 14.134 1.00 0.00 C ATOM 468 C TYR A 29 14.440 -5.625 15.370 1.00 0.00 C ATOM 469 O TYR A 29 14.323 -6.245 16.419 1.00 0.00 O ATOM 470 CB TYR A 29 14.145 -7.434 13.629 1.00 0.00 C ATOM 471 CG TYR A 29 13.211 -8.042 12.609 1.00 0.00 C ATOM 472 CD1 TYR A 29 13.254 -7.627 11.272 1.00 0.00 C ATOM 473 CD2 TYR A 29 12.290 -9.013 13.015 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.360 -8.164 10.334 1.00 0.00 C ATOM 475 CE2 TYR A 29 11.395 -9.564 12.087 1.00 0.00 C ATOM 476 CZ TYR A 29 11.426 -9.141 10.740 1.00 0.00 C ATOM 477 OH TYR A 29 10.553 -9.672 9.837 1.00 0.00 O ATOM 0 H TYR A 29 14.614 -5.200 12.499 1.00 0.00 H new ATOM 0 HA TYR A 29 12.623 -6.150 14.451 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.135 -7.323 13.188 1.00 0.00 H new ATOM 0 HB3 TYR A 29 14.247 -8.115 14.474 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.979 -6.890 10.962 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.268 -9.339 14.044 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.386 -7.832 9.307 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.682 -10.312 12.402 1.00 0.00 H new ATOM 0 HH TYR A 29 10.963 -9.672 8.947 1.00 0.00 H new ATOM 487 N GLN A 30 15.233 -4.562 15.276 1.00 0.00 N ATOM 488 CA GLN A 30 16.082 -4.147 16.380 1.00 0.00 C ATOM 489 C GLN A 30 15.237 -3.742 17.586 1.00 0.00 C ATOM 490 O GLN A 30 15.671 -3.900 18.726 1.00 0.00 O ATOM 491 CB GLN A 30 16.977 -3.013 15.882 1.00 0.00 C ATOM 492 CG GLN A 30 18.039 -2.617 16.902 1.00 0.00 C ATOM 493 CD GLN A 30 19.020 -1.633 16.278 1.00 0.00 C ATOM 494 OE1 GLN A 30 19.105 -0.480 16.687 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.771 -2.088 15.279 1.00 0.00 N ATOM 0 H GLN A 30 15.303 -3.974 14.445 1.00 0.00 H new ATOM 0 HA GLN A 30 16.711 -4.970 16.718 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.463 -3.318 14.956 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.361 -2.145 15.647 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.566 -2.167 17.775 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.571 -3.503 17.248 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.672 -3.054 14.966 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.446 -1.471 14.826 1.00 0.00 H new ATOM 504 N HIS A 31 14.030 -3.223 17.337 1.00 0.00 N ATOM 505 CA HIS A 31 13.108 -2.868 18.404 1.00 0.00 C ATOM 506 C HIS A 31 12.246 -4.055 18.827 1.00 0.00 C ATOM 507 O HIS A 31 11.875 -4.162 19.995 1.00 0.00 O ATOM 508 CB HIS A 31 12.231 -1.717 17.918 1.00 0.00 C ATOM 509 CG HIS A 31 13.016 -0.478 17.585 1.00 0.00 C ATOM 510 ND1 HIS A 31 13.332 -0.040 16.295 1.00 0.00 N ATOM 511 CD2 HIS A 31 13.536 0.393 18.498 1.00 0.00 C ATOM 512 CE1 HIS A 31 14.041 1.090 16.465 1.00 0.00 C ATOM 513 NE2 HIS A 31 14.177 1.374 17.776 1.00 0.00 N ATOM 0 H HIS A 31 13.674 -3.041 16.399 1.00 0.00 H new ATOM 0 HA HIS A 31 13.680 -2.565 19.281 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.677 -2.037 17.035 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.496 -1.479 18.686 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.460 0.326 19.573 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.446 1.688 15.662 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.670 2.177 18.166 1.00 0.00 H new ATOM 521 N LYS A 32 11.923 -4.952 17.888 1.00 0.00 N ATOM 522 CA LYS A 32 11.032 -6.076 18.159 1.00 0.00 C ATOM 523 C LYS A 32 11.764 -7.235 18.835 1.00 0.00 C ATOM 524 O LYS A 32 11.189 -7.929 19.670 1.00 0.00 O ATOM 525 CB LYS A 32 10.388 -6.533 16.854 1.00 0.00 C ATOM 526 CG LYS A 32 9.598 -5.386 16.211 1.00 0.00 C ATOM 527 CD LYS A 32 8.901 -5.831 14.923 1.00 0.00 C ATOM 528 CE LYS A 32 7.797 -6.843 15.228 1.00 0.00 C ATOM 529 NZ LYS A 32 7.102 -7.262 13.998 1.00 0.00 N ATOM 0 H LYS A 32 12.270 -4.917 16.930 1.00 0.00 H new ATOM 0 HA LYS A 32 10.260 -5.743 18.852 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.157 -6.883 16.165 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.724 -7.376 17.045 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.855 -5.015 16.917 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.272 -4.558 15.993 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.477 -4.965 14.415 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.629 -6.274 14.244 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.226 -7.715 15.721 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.080 -6.405 15.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.358 -7.949 14.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.673 -6.432 13.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.783 -7.702 13.347 1.00 0.00 H new ATOM 543 N VAL A 33 13.030 -7.449 18.479 1.00 0.00 N ATOM 544 CA VAL A 33 13.861 -8.486 19.066 1.00 0.00 C ATOM 545 C VAL A 33 14.208 -8.089 20.493 1.00 0.00 C ATOM 546 O VAL A 33 14.235 -8.933 21.385 1.00 0.00 O ATOM 547 CB VAL A 33 15.138 -8.618 18.238 1.00 0.00 C ATOM 548 CG1 VAL A 33 16.039 -9.701 18.777 1.00 0.00 C ATOM 549 CG2 VAL A 33 14.864 -9.113 16.830 1.00 0.00 C ATOM 0 H VAL A 33 13.508 -6.898 17.766 1.00 0.00 H new ATOM 0 HA VAL A 33 13.333 -9.440 19.075 1.00 0.00 H new ATOM 0 HB VAL A 33 15.575 -7.620 18.268 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.937 -9.766 18.163 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.318 -9.465 19.804 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.514 -10.656 18.754 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.803 -9.190 16.282 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.389 -10.093 16.875 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.203 -8.412 16.320 1.00 0.00 H new ATOM 559 N ALA A 34 14.468 -6.795 20.704 1.00 0.00 N ATOM 560 CA ALA A 34 14.775 -6.274 22.023 1.00 0.00 C ATOM 561 C ALA A 34 13.587 -6.443 22.972 1.00 0.00 C ATOM 562 O ALA A 34 13.776 -6.490 24.184 1.00 0.00 O ATOM 563 CB ALA A 34 15.150 -4.799 21.895 1.00 0.00 C ATOM 0 H ALA A 34 14.470 -6.091 19.966 1.00 0.00 H new ATOM 0 HA ALA A 34 15.611 -6.833 22.443 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.383 -4.396 22.881 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.021 -4.700 21.247 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.314 -4.247 21.466 1.00 0.00 H new ATOM 569 N SER A 35 12.366 -6.538 22.434 1.00 0.00 N ATOM 570 CA SER A 35 11.173 -6.688 23.254 1.00 0.00 C ATOM 571 C SER A 35 11.086 -8.097 23.827 1.00 0.00 C ATOM 572 O SER A 35 10.853 -8.263 25.025 1.00 0.00 O ATOM 573 CB SER A 35 9.939 -6.382 22.405 1.00 0.00 C ATOM 574 OG SER A 35 8.789 -6.386 23.222 1.00 0.00 O ATOM 0 H SER A 35 12.185 -6.513 21.431 1.00 0.00 H new ATOM 0 HA SER A 35 11.223 -5.989 24.089 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.050 -5.412 21.921 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.837 -7.124 21.613 1.00 0.00 H new ATOM 0 HG SER A 35 7.999 -6.188 22.676 1.00 0.00 H new ATOM 580 N LEU A 36 11.270 -9.123 22.992 1.00 0.00 N ATOM 581 CA LEU A 36 11.143 -10.495 23.464 1.00 0.00 C ATOM 582 C LEU A 36 12.399 -10.953 24.189 1.00 0.00 C ATOM 583 O LEU A 36 12.319 -11.814 25.059 1.00 0.00 O ATOM 584 CB LEU A 36 10.785 -11.414 22.290 1.00 0.00 C ATOM 585 CG LEU A 36 11.932 -11.651 21.299 1.00 0.00 C ATOM 586 CD1 LEU A 36 12.824 -12.823 21.711 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.335 -12.011 19.946 1.00 0.00 C ATOM 0 H LEU A 36 11.503 -9.029 22.004 1.00 0.00 H new ATOM 0 HA LEU A 36 10.334 -10.544 24.193 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.457 -12.376 22.684 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.940 -10.984 21.753 1.00 0.00 H new ATOM 0 HG LEU A 36 12.530 -10.740 21.271 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.620 -12.950 20.978 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.260 -12.622 22.689 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.228 -13.734 21.760 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.137 -12.183 19.228 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.734 -12.915 20.042 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.705 -11.193 19.597 1.00 0.00 H new ATOM 599 N VAL A 37 13.560 -10.392 23.844 1.00 0.00 N ATOM 600 CA VAL A 37 14.807 -10.813 24.474 1.00 0.00 C ATOM 601 C VAL A 37 15.025 -10.099 25.807 1.00 0.00 C ATOM 602 O VAL A 37 15.851 -10.533 26.608 1.00 0.00 O ATOM 603 CB VAL A 37 15.961 -10.657 23.480 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.491 -9.234 23.431 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.112 -11.584 23.855 1.00 0.00 C ATOM 0 H VAL A 37 13.660 -9.657 23.143 1.00 0.00 H new ATOM 0 HA VAL A 37 14.755 -11.871 24.731 1.00 0.00 H new ATOM 0 HB VAL A 37 15.563 -10.915 22.499 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.308 -9.175 22.712 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.691 -8.558 23.128 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.855 -8.947 24.418 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.925 -11.462 23.139 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.468 -11.336 24.855 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.767 -12.618 23.839 1.00 0.00 H new ATOM 615 N SER A 38 14.292 -9.008 26.069 1.00 0.00 N ATOM 616 CA SER A 38 14.330 -8.352 27.371 1.00 0.00 C ATOM 617 C SER A 38 13.678 -9.241 28.432 1.00 0.00 C ATOM 618 O SER A 38 13.757 -8.955 29.624 1.00 0.00 O ATOM 619 CB SER A 38 13.618 -6.998 27.292 1.00 0.00 C ATOM 620 OG SER A 38 13.753 -6.296 28.514 1.00 0.00 O ATOM 0 H SER A 38 13.668 -8.566 25.394 1.00 0.00 H new ATOM 0 HA SER A 38 15.369 -8.186 27.655 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.037 -6.407 26.478 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.562 -7.148 27.066 1.00 0.00 H new ATOM 0 HG SER A 38 13.891 -6.934 29.245 1.00 0.00 H new ATOM 626 N ARG A 39 13.024 -10.326 27.996 1.00 0.00 N ATOM 627 CA ARG A 39 12.411 -11.303 28.884 1.00 0.00 C ATOM 628 C ARG A 39 13.399 -12.403 29.271 1.00 0.00 C ATOM 629 O ARG A 39 13.064 -13.271 30.074 1.00 0.00 O ATOM 630 CB ARG A 39 11.166 -11.895 28.220 1.00 0.00 C ATOM 631 CG ARG A 39 10.177 -10.795 27.828 1.00 0.00 C ATOM 632 CD ARG A 39 8.955 -11.417 27.154 1.00 0.00 C ATOM 633 NE ARG A 39 7.991 -10.385 26.752 1.00 0.00 N ATOM 634 CZ ARG A 39 7.033 -9.889 27.542 1.00 0.00 C ATOM 635 NH1 ARG A 39 6.883 -10.321 28.792 1.00 0.00 N ATOM 636 NH2 ARG A 39 6.212 -8.951 27.077 1.00 0.00 N ATOM 0 H ARG A 39 12.909 -10.545 27.007 1.00 0.00 H new ATOM 0 HA ARG A 39 12.116 -10.797 29.803 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.456 -12.460 27.334 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.684 -12.596 28.902 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.871 -10.236 28.712 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.656 -10.086 27.152 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.269 -11.987 26.279 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.477 -12.119 27.837 1.00 0.00 H new ATOM 0 HE ARG A 39 8.057 -10.020 25.802 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.504 -11.041 29.161 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.147 -9.932 29.381 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.314 -8.612 26.120 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.480 -8.571 27.677 1.00 0.00 H new ATOM 650 N TYR A 40 14.611 -12.373 28.706 1.00 0.00 N ATOM 651 CA TYR A 40 15.636 -13.374 28.983 1.00 0.00 C ATOM 652 C TYR A 40 16.921 -12.748 29.527 1.00 0.00 C ATOM 653 O TYR A 40 17.755 -13.460 30.085 1.00 0.00 O ATOM 654 CB TYR A 40 15.905 -14.184 27.714 1.00 0.00 C ATOM 655 CG TYR A 40 14.706 -14.973 27.230 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.422 -16.227 27.792 1.00 0.00 C ATOM 657 CD2 TYR A 40 13.883 -14.453 26.222 1.00 0.00 C ATOM 658 CE1 TYR A 40 13.308 -16.954 27.357 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.768 -15.181 25.777 1.00 0.00 C ATOM 660 CZ TYR A 40 12.473 -16.431 26.351 1.00 0.00 C ATOM 661 OH TYR A 40 11.384 -17.141 25.937 1.00 0.00 O ATOM 0 H TYR A 40 14.904 -11.653 28.045 1.00 0.00 H new ATOM 0 HA TYR A 40 15.267 -14.039 29.764 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.227 -13.507 26.923 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.730 -14.871 27.900 1.00 0.00 H new ATOM 0 HD1 TYR A 40 15.064 -16.631 28.561 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.107 -13.490 25.787 1.00 0.00 H new ATOM 0 HE1 TYR A 40 13.089 -17.917 27.793 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.138 -14.782 24.996 1.00 0.00 H new ATOM 0 HH TYR A 40 10.913 -16.640 25.238 1.00 0.00 H new ATOM 671 N VAL A 41 17.091 -11.430 29.375 1.00 0.00 N ATOM 672 CA VAL A 41 18.212 -10.679 29.930 1.00 0.00 C ATOM 673 C VAL A 41 17.731 -9.306 30.390 1.00 0.00 C ATOM 674 O VAL A 41 16.745 -8.794 29.862 1.00 0.00 O ATOM 675 CB VAL A 41 19.354 -10.528 28.909 1.00 0.00 C ATOM 676 CG1 VAL A 41 20.126 -11.837 28.749 1.00 0.00 C ATOM 677 CG2 VAL A 41 18.848 -10.074 27.538 1.00 0.00 C ATOM 0 H VAL A 41 16.437 -10.848 28.851 1.00 0.00 H new ATOM 0 HA VAL A 41 18.604 -11.234 30.782 1.00 0.00 H new ATOM 0 HB VAL A 41 20.018 -9.758 29.303 1.00 0.00 H new ATOM 0 HG11 VAL A 41 20.927 -11.701 28.022 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.553 -12.127 29.709 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.450 -12.618 28.402 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.690 -9.982 26.852 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.142 -10.808 27.149 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.351 -9.109 27.635 1.00 0.00 H new ATOM 687 N PRO A 42 18.414 -8.694 31.369 1.00 0.00 N ATOM 688 CA PRO A 42 18.053 -7.392 31.906 1.00 0.00 C ATOM 689 C PRO A 42 18.278 -6.291 30.873 1.00 0.00 C ATOM 690 O PRO A 42 18.967 -6.493 29.875 1.00 0.00 O ATOM 691 CB PRO A 42 18.948 -7.195 33.127 1.00 0.00 C ATOM 692 CG PRO A 42 20.192 -8.010 32.769 1.00 0.00 C ATOM 693 CD PRO A 42 19.593 -9.210 32.038 1.00 0.00 C ATOM 0 HA PRO A 42 16.997 -7.343 32.171 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.186 -6.144 33.289 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.474 -7.559 34.039 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.878 -7.448 32.135 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.751 -8.311 33.655 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.300 -9.629 31.323 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.334 -10.007 32.735 1.00 0.00 H new ATOM 701 N SER A 43 17.690 -5.114 31.117 1.00 0.00 N ATOM 702 CA SER A 43 17.729 -4.005 30.176 1.00 0.00 C ATOM 703 C SER A 43 19.136 -3.441 29.973 1.00 0.00 C ATOM 704 O SER A 43 19.346 -2.633 29.068 1.00 0.00 O ATOM 705 CB SER A 43 16.781 -2.905 30.659 1.00 0.00 C ATOM 706 OG SER A 43 17.187 -2.444 31.932 1.00 0.00 O ATOM 0 H SER A 43 17.176 -4.911 31.974 1.00 0.00 H new ATOM 0 HA SER A 43 17.409 -4.385 29.206 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.776 -2.079 29.948 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.762 -3.288 30.709 1.00 0.00 H new ATOM 0 HG SER A 43 16.577 -1.739 32.234 1.00 0.00 H new ATOM 712 N GLY A 44 20.104 -3.854 30.798 1.00 0.00 N ATOM 713 CA GLY A 44 21.483 -3.410 30.650 1.00 0.00 C ATOM 714 C GLY A 44 22.274 -4.311 29.706 1.00 0.00 C ATOM 715 O GLY A 44 23.325 -3.908 29.212 1.00 0.00 O ATOM 0 H GLY A 44 19.951 -4.497 31.575 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.496 -2.388 30.272 1.00 0.00 H new ATOM 0 HA3 GLY A 44 21.966 -3.395 31.627 1.00 0.00 H new ATOM 719 N ASP A 45 21.777 -5.526 29.450 1.00 0.00 N ATOM 720 CA ASP A 45 22.434 -6.491 28.579 1.00 0.00 C ATOM 721 C ASP A 45 21.582 -6.805 27.347 1.00 0.00 C ATOM 722 O ASP A 45 22.026 -7.522 26.451 1.00 0.00 O ATOM 723 CB ASP A 45 22.744 -7.757 29.379 1.00 0.00 C ATOM 724 CG ASP A 45 23.773 -7.489 30.474 1.00 0.00 C ATOM 725 OD1 ASP A 45 24.980 -7.571 30.165 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.346 -7.206 31.615 1.00 0.00 O ATOM 0 H ASP A 45 20.901 -5.864 29.847 1.00 0.00 H new ATOM 0 HA ASP A 45 23.367 -6.062 28.213 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.827 -8.140 29.826 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.118 -8.530 28.708 1.00 0.00 H new ATOM 731 N VAL A 46 20.355 -6.274 27.291 1.00 0.00 N ATOM 732 CA VAL A 46 19.440 -6.574 26.202 1.00 0.00 C ATOM 733 C VAL A 46 19.887 -6.018 24.837 1.00 0.00 C ATOM 734 O VAL A 46 19.586 -6.658 23.832 1.00 0.00 O ATOM 735 CB VAL A 46 18.024 -6.117 26.589 1.00 0.00 C ATOM 736 CG1 VAL A 46 17.827 -4.604 26.518 1.00 0.00 C ATOM 737 CG2 VAL A 46 16.994 -6.774 25.682 1.00 0.00 C ATOM 0 H VAL A 46 19.980 -5.635 27.992 1.00 0.00 H new ATOM 0 HA VAL A 46 19.442 -7.655 26.059 1.00 0.00 H new ATOM 0 HB VAL A 46 17.890 -6.421 27.627 1.00 0.00 H new ATOM 0 HG11 VAL A 46 16.805 -4.356 26.804 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.523 -4.114 27.199 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.012 -4.260 25.500 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.995 -6.443 25.966 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.189 -6.493 24.647 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.059 -7.857 25.783 1.00 0.00 H new ATOM 747 N PRO A 47 20.586 -4.871 24.733 1.00 0.00 N ATOM 748 CA PRO A 47 20.939 -4.329 23.428 1.00 0.00 C ATOM 749 C PRO A 47 22.127 -5.070 22.823 1.00 0.00 C ATOM 750 O PRO A 47 22.302 -5.070 21.606 1.00 0.00 O ATOM 751 CB PRO A 47 21.286 -2.869 23.695 1.00 0.00 C ATOM 752 CG PRO A 47 21.901 -2.918 25.090 1.00 0.00 C ATOM 753 CD PRO A 47 21.075 -3.996 25.790 1.00 0.00 C ATOM 0 HA PRO A 47 20.126 -4.435 22.710 1.00 0.00 H new ATOM 0 HB2 PRO A 47 21.987 -2.478 22.957 1.00 0.00 H new ATOM 0 HB3 PRO A 47 20.403 -2.231 23.664 1.00 0.00 H new ATOM 0 HG2 PRO A 47 22.959 -3.178 25.056 1.00 0.00 H new ATOM 0 HG3 PRO A 47 21.825 -1.957 25.599 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.682 -4.550 26.506 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.248 -3.555 26.346 1.00 0.00 H new ATOM 761 N ASP A 48 22.949 -5.703 23.664 1.00 0.00 N ATOM 762 CA ASP A 48 24.126 -6.411 23.191 1.00 0.00 C ATOM 763 C ASP A 48 23.746 -7.800 22.687 1.00 0.00 C ATOM 764 O ASP A 48 24.401 -8.341 21.797 1.00 0.00 O ATOM 765 CB ASP A 48 25.137 -6.502 24.331 1.00 0.00 C ATOM 766 CG ASP A 48 26.470 -7.069 23.846 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.192 -6.326 23.144 1.00 0.00 O ATOM 768 OD2 ASP A 48 26.757 -8.238 24.184 1.00 0.00 O ATOM 0 H ASP A 48 22.815 -5.736 24.675 1.00 0.00 H new ATOM 0 HA ASP A 48 24.572 -5.869 22.357 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.295 -5.512 24.760 1.00 0.00 H new ATOM 0 HB3 ASP A 48 24.738 -7.134 25.125 1.00 0.00 H new ATOM 773 N VAL A 49 22.683 -8.379 23.255 1.00 0.00 N ATOM 774 CA VAL A 49 22.203 -9.687 22.836 1.00 0.00 C ATOM 775 C VAL A 49 21.429 -9.563 21.523 1.00 0.00 C ATOM 776 O VAL A 49 21.396 -10.510 20.740 1.00 0.00 O ATOM 777 CB VAL A 49 21.357 -10.297 23.959 1.00 0.00 C ATOM 778 CG1 VAL A 49 20.711 -11.604 23.515 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.250 -10.610 25.160 1.00 0.00 C ATOM 0 H VAL A 49 22.141 -7.955 24.008 1.00 0.00 H new ATOM 0 HA VAL A 49 23.042 -10.358 22.649 1.00 0.00 H new ATOM 0 HB VAL A 49 20.583 -9.575 24.218 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.117 -12.013 24.333 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.066 -11.418 22.656 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.487 -12.318 23.238 1.00 0.00 H new ATOM 0 HG21 VAL A 49 21.648 -11.044 25.958 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.024 -11.318 24.863 1.00 0.00 H new ATOM 0 HG23 VAL A 49 22.716 -9.691 25.516 1.00 0.00 H new ATOM 789 N VAL A 50 20.807 -8.407 21.267 1.00 0.00 N ATOM 790 CA VAL A 50 20.171 -8.151 19.978 1.00 0.00 C ATOM 791 C VAL A 50 21.247 -7.997 18.910 1.00 0.00 C ATOM 792 O VAL A 50 21.053 -8.420 17.773 1.00 0.00 O ATOM 793 CB VAL A 50 19.320 -6.882 20.062 1.00 0.00 C ATOM 794 CG1 VAL A 50 18.843 -6.440 18.678 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.087 -7.138 20.920 1.00 0.00 C ATOM 0 H VAL A 50 20.733 -7.639 21.934 1.00 0.00 H new ATOM 0 HA VAL A 50 19.523 -8.987 19.716 1.00 0.00 H new ATOM 0 HB VAL A 50 19.943 -6.102 20.499 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.241 -5.536 18.772 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.706 -6.237 18.043 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.242 -7.231 18.231 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.487 -6.230 20.975 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.495 -7.938 20.476 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.396 -7.429 21.924 1.00 0.00 H new ATOM 805 N GLN A 51 22.389 -7.400 19.261 1.00 0.00 N ATOM 806 CA GLN A 51 23.473 -7.238 18.308 1.00 0.00 C ATOM 807 C GLN A 51 24.112 -8.588 18.017 1.00 0.00 C ATOM 808 O GLN A 51 24.402 -8.894 16.863 1.00 0.00 O ATOM 809 CB GLN A 51 24.490 -6.234 18.852 1.00 0.00 C ATOM 810 CG GLN A 51 25.606 -5.986 17.837 1.00 0.00 C ATOM 811 CD GLN A 51 26.587 -4.915 18.306 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.442 -4.346 19.386 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.603 -4.630 17.494 1.00 0.00 N ATOM 0 H GLN A 51 22.579 -7.026 20.191 1.00 0.00 H new ATOM 0 HA GLN A 51 23.085 -6.846 17.368 1.00 0.00 H new ATOM 0 HB2 GLN A 51 23.990 -5.294 19.086 1.00 0.00 H new ATOM 0 HB3 GLN A 51 24.916 -6.609 19.783 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.145 -6.916 17.658 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.168 -5.683 16.886 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.697 -5.119 16.604 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.287 -3.923 17.762 1.00 0.00 H new ATOM 822 N GLU A 52 24.338 -9.418 19.044 1.00 0.00 N ATOM 823 CA GLU A 52 24.921 -10.730 18.823 1.00 0.00 C ATOM 824 C GLU A 52 23.941 -11.610 18.052 1.00 0.00 C ATOM 825 O GLU A 52 24.360 -12.496 17.314 1.00 0.00 O ATOM 826 CB GLU A 52 25.300 -11.360 20.165 1.00 0.00 C ATOM 827 CG GLU A 52 26.006 -12.699 19.938 1.00 0.00 C ATOM 828 CD GLU A 52 26.495 -13.334 21.242 1.00 0.00 C ATOM 829 OE1 GLU A 52 26.908 -12.579 22.151 1.00 0.00 O ATOM 830 OE2 GLU A 52 26.451 -14.581 21.318 1.00 0.00 O ATOM 0 H GLU A 52 24.127 -9.201 20.018 1.00 0.00 H new ATOM 0 HA GLU A 52 25.828 -10.633 18.226 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.952 -10.686 20.720 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.406 -11.510 20.770 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.323 -13.385 19.437 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.854 -12.550 19.270 1.00 0.00 H new ATOM 837 N ALA A 53 22.637 -11.369 18.209 1.00 0.00 N ATOM 838 CA ALA A 53 21.637 -12.134 17.484 1.00 0.00 C ATOM 839 C ALA A 53 21.673 -11.770 16.003 1.00 0.00 C ATOM 840 O ALA A 53 21.471 -12.637 15.161 1.00 0.00 O ATOM 841 CB ALA A 53 20.258 -11.863 18.083 1.00 0.00 C ATOM 0 H ALA A 53 22.257 -10.654 18.829 1.00 0.00 H new ATOM 0 HA ALA A 53 21.852 -13.199 17.574 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.506 -12.436 17.540 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.252 -12.159 19.132 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.030 -10.800 18.005 1.00 0.00 H new ATOM 847 N PHE A 54 21.927 -10.501 15.667 1.00 0.00 N ATOM 848 CA PHE A 54 22.042 -10.092 14.277 1.00 0.00 C ATOM 849 C PHE A 54 23.366 -10.524 13.657 1.00 0.00 C ATOM 850 O PHE A 54 23.412 -10.819 12.463 1.00 0.00 O ATOM 851 CB PHE A 54 21.870 -8.574 14.177 1.00 0.00 C ATOM 852 CG PHE A 54 20.505 -8.067 14.588 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.358 -8.852 14.379 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.380 -6.800 15.175 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.100 -8.371 14.755 1.00 0.00 C ATOM 856 CE2 PHE A 54 19.118 -6.310 15.528 1.00 0.00 C ATOM 857 CZ PHE A 54 17.978 -7.097 15.321 1.00 0.00 C ATOM 0 H PHE A 54 22.055 -9.747 16.342 1.00 0.00 H new ATOM 0 HA PHE A 54 21.253 -10.589 13.713 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.624 -8.094 14.801 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.063 -8.266 13.149 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.448 -9.829 13.927 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.260 -6.201 15.355 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.222 -8.983 14.609 1.00 0.00 H new ATOM 0 HE2 PHE A 54 19.023 -5.325 15.960 1.00 0.00 H new ATOM 0 HZ PHE A 54 17.004 -6.720 15.598 1.00 0.00 H new ATOM 867 N ILE A 55 24.450 -10.573 14.439 1.00 0.00 N ATOM 868 CA ILE A 55 25.734 -11.034 13.925 1.00 0.00 C ATOM 869 C ILE A 55 25.664 -12.543 13.693 1.00 0.00 C ATOM 870 O ILE A 55 26.212 -13.056 12.719 1.00 0.00 O ATOM 871 CB ILE A 55 26.848 -10.666 14.918 1.00 0.00 C ATOM 872 CG1 ILE A 55 26.979 -9.138 15.029 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.183 -11.266 14.461 1.00 0.00 C ATOM 874 CD1 ILE A 55 27.939 -8.726 16.147 1.00 0.00 C ATOM 0 H ILE A 55 24.460 -10.300 15.422 1.00 0.00 H new ATOM 0 HA ILE A 55 25.960 -10.550 12.975 1.00 0.00 H new ATOM 0 HB ILE A 55 26.589 -11.073 15.895 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.332 -8.734 14.080 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.997 -8.702 15.215 1.00 0.00 H new ATOM 0 HG21 ILE A 55 28.965 -10.999 15.172 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.095 -12.351 14.409 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.439 -10.875 13.476 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.002 -7.639 16.190 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.572 -9.106 17.100 1.00 0.00 H new ATOM 0 HD13 ILE A 55 28.928 -9.139 15.948 1.00 0.00 H new ATOM 886 N LYS A 56 24.981 -13.255 14.594 1.00 0.00 N ATOM 887 CA LYS A 56 24.817 -14.698 14.505 1.00 0.00 C ATOM 888 C LYS A 56 23.779 -15.052 13.446 1.00 0.00 C ATOM 889 O LYS A 56 23.879 -16.100 12.809 1.00 0.00 O ATOM 890 CB LYS A 56 24.403 -15.195 15.891 1.00 0.00 C ATOM 891 CG LYS A 56 24.272 -16.719 15.946 1.00 0.00 C ATOM 892 CD LYS A 56 23.820 -17.145 17.342 1.00 0.00 C ATOM 893 CE LYS A 56 24.862 -16.749 18.388 1.00 0.00 C ATOM 894 NZ LYS A 56 24.409 -17.101 19.745 1.00 0.00 N ATOM 0 H LYS A 56 24.527 -12.839 15.407 1.00 0.00 H new ATOM 0 HA LYS A 56 25.747 -15.180 14.203 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.139 -14.869 16.626 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.452 -14.740 16.169 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.553 -17.059 15.201 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.227 -17.185 15.704 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.864 -16.679 17.579 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.664 -18.223 17.366 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.806 -17.251 18.174 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.051 -15.677 18.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.127 -16.806 20.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.512 -16.616 19.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.268 -18.130 19.808 1.00 0.00 H new ATOM 908 N ALA A 57 22.780 -14.185 13.251 1.00 0.00 N ATOM 909 CA ALA A 57 21.748 -14.437 12.263 1.00 0.00 C ATOM 910 C ALA A 57 22.327 -14.332 10.861 1.00 0.00 C ATOM 911 O ALA A 57 22.032 -15.178 10.030 1.00 0.00 O ATOM 912 CB ALA A 57 20.598 -13.444 12.438 1.00 0.00 C ATOM 0 H ALA A 57 22.672 -13.311 13.765 1.00 0.00 H new ATOM 0 HA ALA A 57 21.363 -15.447 12.406 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.829 -13.642 11.691 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.172 -13.553 13.435 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.972 -12.428 12.312 1.00 0.00 H new ATOM 918 N TYR A 58 23.149 -13.317 10.578 1.00 0.00 N ATOM 919 CA TYR A 58 23.675 -13.119 9.237 1.00 0.00 C ATOM 920 C TYR A 58 24.514 -14.312 8.787 1.00 0.00 C ATOM 921 O TYR A 58 24.470 -14.705 7.621 1.00 0.00 O ATOM 922 CB TYR A 58 24.538 -11.861 9.226 1.00 0.00 C ATOM 923 CG TYR A 58 25.011 -11.486 7.843 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.103 -10.967 6.908 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.360 -11.656 7.498 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.549 -10.590 5.634 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.808 -11.289 6.225 1.00 0.00 C ATOM 928 CZ TYR A 58 25.906 -10.751 5.288 1.00 0.00 C ATOM 929 OH TYR A 58 26.344 -10.389 4.052 1.00 0.00 O ATOM 0 H TYR A 58 23.460 -12.626 11.261 1.00 0.00 H new ATOM 0 HA TYR A 58 22.837 -13.015 8.547 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.969 -11.032 9.647 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.403 -12.014 9.871 1.00 0.00 H new ATOM 0 HD1 TYR A 58 23.061 -10.858 7.170 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.053 -12.070 8.216 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.854 -10.177 4.918 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.847 -11.419 5.961 1.00 0.00 H new ATOM 0 HH TYR A 58 27.305 -10.566 3.981 1.00 0.00 H new ATOM 939 N ARG A 59 25.282 -14.888 9.715 1.00 0.00 N ATOM 940 CA ARG A 59 26.139 -16.034 9.426 1.00 0.00 C ATOM 941 C ARG A 59 25.311 -17.297 9.204 1.00 0.00 C ATOM 942 O ARG A 59 25.760 -18.214 8.520 1.00 0.00 O ATOM 943 CB ARG A 59 27.091 -16.212 10.606 1.00 0.00 C ATOM 944 CG ARG A 59 28.023 -15.007 10.726 1.00 0.00 C ATOM 945 CD ARG A 59 28.775 -15.097 12.049 1.00 0.00 C ATOM 946 NE ARG A 59 29.793 -14.045 12.157 1.00 0.00 N ATOM 947 CZ ARG A 59 31.049 -14.161 11.725 1.00 0.00 C ATOM 948 NH1 ARG A 59 31.481 -15.281 11.151 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.894 -13.142 11.869 1.00 0.00 N ATOM 0 H ARG A 59 25.325 -14.572 10.684 1.00 0.00 H new ATOM 0 HA ARG A 59 26.701 -15.857 8.509 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.520 -16.331 11.527 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.677 -17.121 10.474 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.726 -14.989 9.893 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.450 -14.081 10.680 1.00 0.00 H new ATOM 0 HD2 ARG A 59 28.071 -15.011 12.877 1.00 0.00 H new ATOM 0 HD3 ARG A 59 29.249 -16.075 12.134 1.00 0.00 H new ATOM 0 HE ARG A 59 29.521 -13.164 12.593 1.00 0.00 H new ATOM 0 HH11 ARG A 59 30.847 -16.072 11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 59 32.446 -15.349 10.827 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.580 -12.277 12.308 1.00 0.00 H new ATOM 0 HH22 ARG A 59 32.856 -13.227 11.540 1.00 0.00 H new ATOM 963 N ALA A 60 24.108 -17.345 9.779 1.00 0.00 N ATOM 964 CA ALA A 60 23.180 -18.450 9.593 1.00 0.00 C ATOM 965 C ALA A 60 22.164 -18.142 8.491 1.00 0.00 C ATOM 966 O ALA A 60 21.431 -19.032 8.059 1.00 0.00 O ATOM 967 CB ALA A 60 22.484 -18.728 10.926 1.00 0.00 C ATOM 0 H ALA A 60 23.752 -16.610 10.391 1.00 0.00 H new ATOM 0 HA ALA A 60 23.728 -19.337 9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.784 -19.554 10.805 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.229 -18.990 11.678 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.943 -17.838 11.247 1.00 0.00 H new ATOM 973 N LEU A 61 22.112 -16.888 8.027 1.00 0.00 N ATOM 974 CA LEU A 61 21.161 -16.457 7.019 1.00 0.00 C ATOM 975 C LEU A 61 21.582 -16.963 5.644 1.00 0.00 C ATOM 976 O LEU A 61 20.753 -17.105 4.749 1.00 0.00 O ATOM 977 CB LEU A 61 21.088 -14.929 7.047 1.00 0.00 C ATOM 978 CG LEU A 61 19.900 -14.388 6.257 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.588 -14.784 6.921 1.00 0.00 C ATOM 980 CD2 LEU A 61 19.987 -12.868 6.239 1.00 0.00 C ATOM 0 H LEU A 61 22.735 -16.147 8.347 1.00 0.00 H new ATOM 0 HA LEU A 61 20.175 -16.870 7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.018 -14.590 8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 61 22.011 -14.517 6.638 1.00 0.00 H new ATOM 0 HG LEU A 61 19.928 -14.799 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.753 -14.388 6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.516 -15.871 6.965 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.554 -14.377 7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.145 -12.462 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.958 -12.490 7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.920 -12.563 5.765 1.00 0.00 H new ATOM 992 N ASP A 62 22.878 -17.237 5.475 1.00 0.00 N ATOM 993 CA ASP A 62 23.392 -17.849 4.259 1.00 0.00 C ATOM 994 C ASP A 62 22.858 -19.279 4.110 1.00 0.00 C ATOM 995 O ASP A 62 23.002 -19.889 3.051 1.00 0.00 O ATOM 996 CB ASP A 62 24.919 -17.839 4.317 1.00 0.00 C ATOM 997 CG ASP A 62 25.540 -18.337 3.013 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.281 -17.690 1.973 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.269 -19.352 3.063 1.00 0.00 O ATOM 0 H ASP A 62 23.592 -17.040 6.176 1.00 0.00 H new ATOM 0 HA ASP A 62 23.058 -17.283 3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.268 -16.827 4.523 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.255 -18.466 5.143 1.00 0.00 H new ATOM 1004 N SER A 63 22.241 -19.811 5.170 1.00 0.00 N ATOM 1005 CA SER A 63 21.667 -21.148 5.181 1.00 0.00 C ATOM 1006 C SER A 63 20.141 -21.116 5.237 1.00 0.00 C ATOM 1007 O SER A 63 19.505 -22.168 5.212 1.00 0.00 O ATOM 1008 CB SER A 63 22.240 -21.926 6.362 1.00 0.00 C ATOM 1009 OG SER A 63 23.648 -21.995 6.258 1.00 0.00 O ATOM 0 H SER A 63 22.128 -19.313 6.053 1.00 0.00 H new ATOM 0 HA SER A 63 21.933 -21.647 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 63 21.960 -21.442 7.297 1.00 0.00 H new ATOM 0 HB3 SER A 63 21.819 -22.931 6.385 1.00 0.00 H new ATOM 0 HG SER A 63 24.008 -22.494 7.020 1.00 0.00 H new ATOM 1015 N PHE A 64 19.542 -19.922 5.314 1.00 0.00 N ATOM 1016 CA PHE A 64 18.095 -19.772 5.317 1.00 0.00 C ATOM 1017 C PHE A 64 17.547 -20.063 3.922 1.00 0.00 C ATOM 1018 O PHE A 64 18.096 -19.583 2.929 1.00 0.00 O ATOM 1019 CB PHE A 64 17.735 -18.361 5.767 1.00 0.00 C ATOM 1020 CG PHE A 64 16.246 -18.102 5.784 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.463 -18.584 6.842 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.646 -17.385 4.739 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.083 -18.349 6.856 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.266 -17.144 4.759 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.484 -17.627 5.816 1.00 0.00 C ATOM 0 H PHE A 64 20.051 -19.040 5.376 1.00 0.00 H new ATOM 0 HA PHE A 64 17.647 -20.481 6.013 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.138 -18.191 6.765 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.215 -17.642 5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 64 15.925 -19.137 7.647 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.247 -17.019 3.920 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.480 -18.725 7.669 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.805 -16.585 3.958 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.420 -17.443 5.829 1.00 0.00 H new ATOM 1099 N PHE A 70 10.552 -15.386 8.081 1.00 0.00 N ATOM 1100 CA PHE A 70 11.827 -14.854 8.538 1.00 0.00 C ATOM 1101 C PHE A 70 11.752 -14.357 9.977 1.00 0.00 C ATOM 1102 O PHE A 70 12.735 -14.456 10.711 1.00 0.00 O ATOM 1103 CB PHE A 70 12.259 -13.704 7.631 1.00 0.00 C ATOM 1104 CG PHE A 70 13.504 -13.012 8.141 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.735 -13.685 8.133 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.426 -11.704 8.641 1.00 0.00 C ATOM 1107 CE1 PHE A 70 15.884 -13.056 8.631 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.576 -11.075 9.135 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.807 -11.749 9.128 1.00 0.00 C ATOM 0 HA PHE A 70 12.556 -15.663 8.497 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.443 -14.085 6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.448 -12.980 7.554 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.797 -14.690 7.742 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.480 -11.182 8.645 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.829 -13.579 8.632 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.515 -10.069 9.522 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.693 -11.261 9.505 1.00 0.00 H new ATOM 1119 N TYR A 71 10.602 -13.825 10.405 1.00 0.00 N ATOM 1120 CA TYR A 71 10.499 -13.277 11.746 1.00 0.00 C ATOM 1121 C TYR A 71 10.556 -14.390 12.790 1.00 0.00 C ATOM 1122 O TYR A 71 11.141 -14.198 13.853 1.00 0.00 O ATOM 1123 CB TYR A 71 9.229 -12.434 11.881 1.00 0.00 C ATOM 1124 CG TYR A 71 7.930 -13.192 11.732 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.408 -13.896 12.827 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.245 -13.190 10.509 1.00 0.00 C ATOM 1127 CE1 TYR A 71 6.205 -14.605 12.699 1.00 0.00 C ATOM 1128 CE2 TYR A 71 6.039 -13.889 10.375 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.513 -14.602 11.472 1.00 0.00 C ATOM 1130 OH TYR A 71 4.342 -15.286 11.346 1.00 0.00 O ATOM 0 H TYR A 71 9.749 -13.766 9.849 1.00 0.00 H new ATOM 0 HA TYR A 71 11.351 -12.621 11.925 1.00 0.00 H new ATOM 0 HB2 TYR A 71 9.237 -11.949 12.857 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.257 -11.643 11.132 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.934 -13.892 13.770 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.649 -12.647 9.667 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.809 -15.153 13.541 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.512 -13.882 9.432 1.00 0.00 H new ATOM 0 HH TYR A 71 3.996 -15.178 10.435 1.00 0.00 H new ATOM 1140 N THR A 72 9.959 -15.552 12.507 1.00 0.00 N ATOM 1141 CA THR A 72 9.988 -16.660 13.452 1.00 0.00 C ATOM 1142 C THR A 72 11.385 -17.261 13.479 1.00 0.00 C ATOM 1143 O THR A 72 11.860 -17.677 14.534 1.00 0.00 O ATOM 1144 CB THR A 72 8.961 -17.724 13.058 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.665 -17.172 13.075 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.988 -18.891 14.041 1.00 0.00 C ATOM 0 H THR A 72 9.457 -15.744 11.640 1.00 0.00 H new ATOM 0 HA THR A 72 9.734 -16.291 14.446 1.00 0.00 H new ATOM 0 HB THR A 72 9.214 -18.077 12.058 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.724 -16.197 12.997 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.250 -19.636 13.742 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.980 -19.343 14.042 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.753 -18.529 15.042 1.00 0.00 H new ATOM 1154 N TRP A 73 12.050 -17.309 12.324 1.00 0.00 N ATOM 1155 CA TRP A 73 13.387 -17.866 12.230 1.00 0.00 C ATOM 1156 C TRP A 73 14.395 -16.964 12.938 1.00 0.00 C ATOM 1157 O TRP A 73 15.366 -17.460 13.506 1.00 0.00 O ATOM 1158 CB TRP A 73 13.745 -18.030 10.755 1.00 0.00 C ATOM 1159 CG TRP A 73 15.146 -18.476 10.501 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.550 -19.754 10.327 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.354 -17.661 10.398 1.00 0.00 C ATOM 1162 NE1 TRP A 73 16.912 -19.787 10.127 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.463 -18.525 10.175 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.624 -16.282 10.478 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.770 -18.048 10.049 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.933 -15.794 10.359 1.00 0.00 C ATOM 1167 CH2 TRP A 73 19.004 -16.672 10.149 1.00 0.00 C ATOM 0 H TRP A 73 11.676 -16.965 11.440 1.00 0.00 H new ATOM 0 HA TRP A 73 13.417 -18.839 12.721 1.00 0.00 H new ATOM 0 HB2 TRP A 73 13.061 -18.751 10.307 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.583 -17.079 10.248 1.00 0.00 H new ATOM 0 HD1 TRP A 73 14.903 -20.618 10.342 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.447 -20.640 9.964 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.810 -15.589 10.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.588 -18.732 9.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.117 -14.732 10.430 1.00 0.00 H new ATOM 0 HH2 TRP A 73 20.010 -16.287 10.064 1.00 0.00 H new ATOM 1178 N LEU A 74 14.171 -15.645 12.912 1.00 0.00 N ATOM 1179 CA LEU A 74 15.076 -14.685 13.525 1.00 0.00 C ATOM 1180 C LEU A 74 14.880 -14.615 15.036 1.00 0.00 C ATOM 1181 O LEU A 74 15.847 -14.456 15.775 1.00 0.00 O ATOM 1182 CB LEU A 74 14.820 -13.312 12.897 1.00 0.00 C ATOM 1183 CG LEU A 74 15.722 -12.232 13.502 1.00 0.00 C ATOM 1184 CD1 LEU A 74 17.192 -12.504 13.194 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.331 -10.873 12.932 1.00 0.00 C ATOM 0 H LEU A 74 13.358 -15.221 12.465 1.00 0.00 H new ATOM 0 HA LEU A 74 16.104 -15.001 13.347 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.990 -13.367 11.822 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.775 -13.036 13.041 1.00 0.00 H new ATOM 0 HG LEU A 74 15.591 -12.241 14.584 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.807 -11.721 13.636 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.479 -13.469 13.611 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.341 -12.516 12.114 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.971 -10.101 13.360 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.451 -10.884 11.849 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.291 -10.660 13.179 1.00 0.00 H new ATOM 1197 N TYR A 75 13.637 -14.734 15.510 1.00 0.00 N ATOM 1198 CA TYR A 75 13.373 -14.664 16.938 1.00 0.00 C ATOM 1199 C TYR A 75 13.925 -15.883 17.671 1.00 0.00 C ATOM 1200 O TYR A 75 14.129 -15.822 18.881 1.00 0.00 O ATOM 1201 CB TYR A 75 11.875 -14.481 17.183 1.00 0.00 C ATOM 1202 CG TYR A 75 11.323 -13.153 16.700 1.00 0.00 C ATOM 1203 CD1 TYR A 75 12.125 -11.998 16.712 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.999 -13.075 16.248 1.00 0.00 C ATOM 1205 CE1 TYR A 75 11.605 -10.773 16.280 1.00 0.00 C ATOM 1206 CE2 TYR A 75 9.475 -11.853 15.800 1.00 0.00 C ATOM 1207 CZ TYR A 75 10.278 -10.696 15.811 1.00 0.00 C ATOM 1208 OH TYR A 75 9.772 -9.513 15.371 1.00 0.00 O ATOM 0 H TYR A 75 12.811 -14.877 14.929 1.00 0.00 H new ATOM 0 HA TYR A 75 13.893 -13.797 17.345 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.336 -15.288 16.686 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.679 -14.576 18.251 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.147 -12.057 17.056 1.00 0.00 H new ATOM 0 HD2 TYR A 75 9.379 -13.959 16.244 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.221 -9.886 16.306 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.456 -11.800 15.447 1.00 0.00 H new ATOM 0 HH TYR A 75 10.337 -9.163 14.651 1.00 0.00 H new ATOM 1218 N ARG A 76 14.175 -16.986 16.955 1.00 0.00 N ATOM 1219 CA ARG A 76 14.828 -18.146 17.549 1.00 0.00 C ATOM 1220 C ARG A 76 16.318 -17.874 17.741 1.00 0.00 C ATOM 1221 O ARG A 76 16.940 -18.469 18.617 1.00 0.00 O ATOM 1222 CB ARG A 76 14.612 -19.370 16.654 1.00 0.00 C ATOM 1223 CG ARG A 76 13.140 -19.789 16.625 1.00 0.00 C ATOM 1224 CD ARG A 76 12.700 -20.361 17.974 1.00 0.00 C ATOM 1225 NE ARG A 76 11.292 -20.779 17.930 1.00 0.00 N ATOM 1226 CZ ARG A 76 10.871 -21.970 17.499 1.00 0.00 C ATOM 1227 NH1 ARG A 76 11.736 -22.886 17.074 1.00 0.00 N ATOM 1228 NH2 ARG A 76 9.571 -22.250 17.492 1.00 0.00 N ATOM 0 H ARG A 76 13.935 -17.094 15.970 1.00 0.00 H new ATOM 0 HA ARG A 76 14.391 -18.344 18.528 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.948 -19.146 15.642 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.221 -20.199 17.016 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.520 -18.929 16.372 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.987 -20.534 15.844 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.329 -21.212 18.235 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.837 -19.612 18.754 1.00 0.00 H new ATOM 0 HE ARG A 76 10.588 -20.114 18.251 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.736 -22.683 17.075 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.400 -23.792 16.747 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.898 -21.555 17.816 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.247 -23.160 17.163 1.00 0.00 H new ATOM 1242 N ILE A 77 16.895 -16.978 16.934 1.00 0.00 N ATOM 1243 CA ILE A 77 18.300 -16.617 17.088 1.00 0.00 C ATOM 1244 C ILE A 77 18.462 -15.744 18.331 1.00 0.00 C ATOM 1245 O ILE A 77 19.468 -15.842 19.031 1.00 0.00 O ATOM 1246 CB ILE A 77 18.817 -15.851 15.859 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.474 -16.517 14.520 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.335 -15.681 15.971 1.00 0.00 C ATOM 1249 CD1 ILE A 77 19.011 -17.937 14.374 1.00 0.00 C ATOM 0 H ILE A 77 16.413 -16.496 16.176 1.00 0.00 H new ATOM 0 HA ILE A 77 18.881 -17.534 17.190 1.00 0.00 H new ATOM 0 HB ILE A 77 18.310 -14.886 15.859 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.390 -16.536 14.403 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.871 -15.905 13.710 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.705 -15.138 15.101 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.573 -15.122 16.876 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.809 -16.662 16.015 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.725 -18.336 13.401 1.00 0.00 H new ATOM 0 HD12 ILE A 77 20.098 -17.925 14.456 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.594 -18.566 15.160 1.00 0.00 H new ATOM 1261 N ALA A 78 17.474 -14.886 18.610 1.00 0.00 N ATOM 1262 CA ALA A 78 17.575 -13.916 19.683 1.00 0.00 C ATOM 1263 C ALA A 78 17.408 -14.551 21.063 1.00 0.00 C ATOM 1264 O ALA A 78 18.109 -14.178 22.001 1.00 0.00 O ATOM 1265 CB ALA A 78 16.526 -12.829 19.453 1.00 0.00 C ATOM 0 H ALA A 78 16.593 -14.852 18.098 1.00 0.00 H new ATOM 0 HA ALA A 78 18.576 -13.485 19.669 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.587 -12.090 20.251 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.709 -12.344 18.494 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.532 -13.277 19.449 1.00 0.00 H new ATOM 1271 N VAL A 79 16.487 -15.510 21.198 1.00 0.00 N ATOM 1272 CA VAL A 79 16.231 -16.131 22.493 1.00 0.00 C ATOM 1273 C VAL A 79 17.293 -17.175 22.817 1.00 0.00 C ATOM 1274 O VAL A 79 17.604 -17.386 23.986 1.00 0.00 O ATOM 1275 CB VAL A 79 14.809 -16.703 22.533 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.604 -17.809 21.501 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.518 -17.293 23.911 1.00 0.00 C ATOM 0 H VAL A 79 15.914 -15.867 20.433 1.00 0.00 H new ATOM 0 HA VAL A 79 16.297 -15.372 23.272 1.00 0.00 H new ATOM 0 HB VAL A 79 14.134 -15.877 22.309 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.582 -18.183 21.567 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.781 -17.412 20.502 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.302 -18.623 21.697 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.505 -17.696 23.928 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.230 -18.091 24.123 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.611 -16.514 24.667 1.00 0.00 H new ATOM 1287 N ASN A 80 17.861 -17.833 21.798 1.00 0.00 N ATOM 1288 CA ASN A 80 18.915 -18.809 22.034 1.00 0.00 C ATOM 1289 C ASN A 80 20.240 -18.108 22.339 1.00 0.00 C ATOM 1290 O ASN A 80 21.117 -18.696 22.966 1.00 0.00 O ATOM 1291 CB ASN A 80 19.045 -19.728 20.816 1.00 0.00 C ATOM 1292 CG ASN A 80 17.843 -20.653 20.654 1.00 0.00 C ATOM 1293 OD1 ASN A 80 16.948 -20.691 21.495 1.00 0.00 O ATOM 1294 ND2 ASN A 80 17.819 -21.409 19.563 1.00 0.00 N ATOM 0 H ASN A 80 17.608 -17.705 20.818 1.00 0.00 H new ATOM 0 HA ASN A 80 18.655 -19.414 22.902 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.157 -19.122 19.917 1.00 0.00 H new ATOM 0 HB3 ASN A 80 19.951 -20.327 20.911 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.040 -22.047 19.402 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.580 -21.351 18.886 1.00 0.00 H new ATOM 1301 N THR A 81 20.394 -16.852 21.904 1.00 0.00 N ATOM 1302 CA THR A 81 21.601 -16.091 22.197 1.00 0.00 C ATOM 1303 C THR A 81 21.535 -15.523 23.610 1.00 0.00 C ATOM 1304 O THR A 81 22.571 -15.330 24.235 1.00 0.00 O ATOM 1305 CB THR A 81 21.792 -14.983 21.160 1.00 0.00 C ATOM 1306 OG1 THR A 81 21.962 -15.570 19.890 1.00 0.00 O ATOM 1307 CG2 THR A 81 23.047 -14.162 21.448 1.00 0.00 C ATOM 0 H THR A 81 19.699 -16.349 21.352 1.00 0.00 H new ATOM 0 HA THR A 81 22.464 -16.755 22.142 1.00 0.00 H new ATOM 0 HB THR A 81 20.915 -14.336 21.197 1.00 0.00 H new ATOM 0 HG1 THR A 81 21.103 -15.586 19.419 1.00 0.00 H new ATOM 0 HG21 THR A 81 23.154 -13.383 20.693 1.00 0.00 H new ATOM 0 HG22 THR A 81 22.963 -13.703 22.433 1.00 0.00 H new ATOM 0 HG23 THR A 81 23.921 -14.813 21.424 1.00 0.00 H new ATOM 1315 N ALA A 82 20.333 -15.257 24.128 1.00 0.00 N ATOM 1316 CA ALA A 82 20.183 -14.742 25.482 1.00 0.00 C ATOM 1317 C ALA A 82 20.474 -15.839 26.500 1.00 0.00 C ATOM 1318 O ALA A 82 20.998 -15.563 27.579 1.00 0.00 O ATOM 1319 CB ALA A 82 18.764 -14.204 25.644 1.00 0.00 C ATOM 0 H ALA A 82 19.454 -15.391 23.628 1.00 0.00 H new ATOM 0 HA ALA A 82 20.895 -13.935 25.656 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.636 -13.814 26.654 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.593 -13.405 24.922 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.048 -15.008 25.472 1.00 0.00 H new ATOM 1325 N LYS A 83 20.138 -17.088 26.157 1.00 0.00 N ATOM 1326 CA LYS A 83 20.417 -18.232 27.011 1.00 0.00 C ATOM 1327 C LYS A 83 21.894 -18.603 26.927 1.00 0.00 C ATOM 1328 O LYS A 83 22.437 -19.181 27.868 1.00 0.00 O ATOM 1329 CB LYS A 83 19.532 -19.400 26.576 1.00 0.00 C ATOM 1330 CG LYS A 83 18.063 -19.070 26.831 1.00 0.00 C ATOM 1331 CD LYS A 83 17.177 -20.183 26.275 1.00 0.00 C ATOM 1332 CE LYS A 83 15.709 -19.814 26.479 1.00 0.00 C ATOM 1333 NZ LYS A 83 14.814 -20.852 25.941 1.00 0.00 N ATOM 0 H LYS A 83 19.668 -17.326 25.284 1.00 0.00 H new ATOM 0 HA LYS A 83 20.196 -17.985 28.049 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.687 -19.609 25.518 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.811 -20.301 27.123 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.888 -18.953 27.900 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.807 -18.120 26.361 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.382 -20.330 25.215 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.400 -21.125 26.777 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.511 -19.676 27.542 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.500 -18.862 25.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.825 -20.571 26.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.987 -20.965 24.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.998 -21.754 26.425 1.00 0.00 H new ATOM 1347 N ASN A 84 22.550 -18.272 25.809 1.00 0.00 N ATOM 1348 CA ASN A 84 23.973 -18.518 25.637 1.00 0.00 C ATOM 1349 C ASN A 84 24.796 -17.362 26.213 1.00 0.00 C ATOM 1350 O ASN A 84 25.983 -17.523 26.488 1.00 0.00 O ATOM 1351 CB ASN A 84 24.259 -18.745 24.152 1.00 0.00 C ATOM 1352 CG ASN A 84 25.729 -19.032 23.893 1.00 0.00 C ATOM 1353 OD1 ASN A 84 26.187 -20.155 24.070 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.479 -18.019 23.470 1.00 0.00 N ATOM 0 H ASN A 84 22.105 -17.828 25.005 1.00 0.00 H new ATOM 0 HA ASN A 84 24.266 -19.412 26.187 1.00 0.00 H new ATOM 0 HB2 ASN A 84 23.658 -19.579 23.790 1.00 0.00 H new ATOM 0 HB3 ASN A 84 23.956 -17.864 23.586 1.00 0.00 H new ATOM 0 HD21 ASN A 84 27.471 -18.163 23.281 1.00 0.00 H new ATOM 0 HD22 ASN A 84 26.062 -17.098 23.334 1.00 0.00 H new