USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 611 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 Single : A 6 GLN : amide:sc= 0.106 K(o=0.11,f=-3.9!) USER MOD Single : A 7 GLN : amide:sc= -1.46 K(o=-1.5,f=-3.5) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00415 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -156:sc= -2.02! (180deg=-3.88!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.071 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 52 ASN : amide:sc= -1.9! C(o=-1.9!,f=-2.6!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -91:sc= 0.72 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -126:sc= -8.98! (180deg=-13.7!) USER MOD Single : A 82 MET CE :methyl 147:sc= -0.709 (180deg=-2.48!) USER MOD Single : A 85 GLN : amide:sc= -0.187 K(o=-0.19,f=-2.4!) USER MOD Single : A 86 MET CE :methyl -177:sc= -3.46 (180deg=-3.58) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -15.429 5.871 -12.605 1.00 0.00 N ATOM 56 CA ASP A 5 -14.339 6.815 -12.239 1.00 0.00 C ATOM 57 C ASP A 5 -13.547 6.222 -11.042 1.00 0.00 C ATOM 58 O ASP A 5 -13.687 6.679 -9.902 1.00 0.00 O ATOM 59 CB ASP A 5 -14.890 8.241 -11.945 1.00 0.00 C ATOM 60 CG ASP A 5 -16.196 8.622 -12.662 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.252 8.532 -13.909 1.00 0.00 O ATOM 62 OD2 ASP A 5 -17.170 9.010 -11.979 1.00 0.00 O ATOM 0 HA ASP A 5 -13.658 6.934 -13.082 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.049 8.333 -10.871 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.124 8.968 -12.217 1.00 0.00 H new ATOM 67 N GLN A 6 -12.702 5.213 -11.331 1.00 0.00 N ATOM 68 CA GLN A 6 -11.801 4.592 -10.323 1.00 0.00 C ATOM 69 C GLN A 6 -10.533 5.479 -10.193 1.00 0.00 C ATOM 70 O GLN A 6 -10.002 5.665 -9.092 1.00 0.00 O ATOM 71 CB GLN A 6 -11.469 3.128 -10.728 1.00 0.00 C ATOM 72 CG GLN A 6 -10.173 2.909 -11.546 1.00 0.00 C ATOM 73 CD GLN A 6 -10.360 2.979 -13.072 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.291 3.607 -13.574 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.489 2.338 -13.838 1.00 0.00 N ATOM 0 H GLN A 6 -12.620 4.803 -12.261 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.285 4.538 -9.348 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.402 2.530 -9.819 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.306 2.737 -11.306 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.440 3.658 -11.248 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.756 1.935 -11.288 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.720 1.820 -13.413 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.587 2.363 -14.853 1.00 0.00 H new ATOM 84 N GLN A 7 -10.082 6.043 -11.329 1.00 0.00 N ATOM 85 CA GLN A 7 -8.852 6.876 -11.393 1.00 0.00 C ATOM 86 C GLN A 7 -9.231 8.373 -11.239 1.00 0.00 C ATOM 87 O GLN A 7 -8.470 9.255 -11.666 1.00 0.00 O ATOM 88 CB GLN A 7 -8.105 6.662 -12.745 1.00 0.00 C ATOM 89 CG GLN A 7 -8.919 6.967 -14.023 1.00 0.00 C ATOM 90 CD GLN A 7 -8.832 8.442 -14.448 1.00 0.00 C ATOM 91 OE1 GLN A 7 -7.764 8.942 -14.802 1.00 0.00 O ATOM 92 NE2 GLN A 7 -9.941 9.166 -14.429 1.00 0.00 N ATOM 0 H GLN A 7 -10.553 5.939 -12.228 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.189 6.577 -10.581 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.213 7.288 -12.748 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.768 5.627 -12.791 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.558 6.338 -14.837 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.963 6.703 -13.855 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.821 8.743 -14.134 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.915 10.146 -14.709 1.00 0.00 H new ATOM 101 N ALA A 8 -10.399 8.657 -10.636 1.00 0.00 N ATOM 102 CA ALA A 8 -10.889 10.044 -10.419 1.00 0.00 C ATOM 103 C ALA A 8 -10.332 10.599 -9.079 1.00 0.00 C ATOM 104 O ALA A 8 -10.013 11.788 -8.972 1.00 0.00 O ATOM 105 CB ALA A 8 -12.430 10.045 -10.443 1.00 0.00 C ATOM 0 H ALA A 8 -11.033 7.940 -10.284 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.534 10.698 -11.216 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.796 11.059 -10.284 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.779 9.680 -11.409 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.807 9.396 -9.653 1.00 0.00 H new ATOM 111 N GLU A 9 -10.250 9.723 -8.060 1.00 0.00 N ATOM 112 CA GLU A 9 -9.831 10.103 -6.685 1.00 0.00 C ATOM 113 C GLU A 9 -8.292 10.310 -6.655 1.00 0.00 C ATOM 114 O GLU A 9 -7.786 11.177 -5.931 1.00 0.00 O ATOM 115 CB GLU A 9 -10.289 9.052 -5.632 1.00 0.00 C ATOM 116 CG GLU A 9 -9.399 7.796 -5.482 1.00 0.00 C ATOM 117 CD GLU A 9 -9.748 6.955 -4.252 1.00 0.00 C ATOM 118 OE1 GLU A 9 -10.912 7.006 -3.794 1.00 0.00 O ATOM 119 OE2 GLU A 9 -8.864 6.233 -3.740 1.00 0.00 O ATOM 0 H GLU A 9 -10.471 8.732 -8.160 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.318 11.040 -6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.351 9.545 -4.662 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.297 8.728 -5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.497 7.180 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.355 8.103 -5.420 1.00 0.00 H new ATOM 126 N ALA A 10 -7.560 9.484 -7.426 1.00 0.00 N ATOM 127 CA ALA A 10 -6.073 9.479 -7.424 1.00 0.00 C ATOM 128 C ALA A 10 -5.534 10.784 -8.072 1.00 0.00 C ATOM 129 O ALA A 10 -4.523 11.339 -7.626 1.00 0.00 O ATOM 130 CB ALA A 10 -5.573 8.221 -8.161 1.00 0.00 C ATOM 0 H ALA A 10 -7.972 8.804 -8.065 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.698 9.448 -6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.483 8.210 -8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.944 7.330 -7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.938 8.232 -9.188 1.00 0.00 H new ATOM 136 N ARG A 11 -6.226 11.252 -9.127 1.00 0.00 N ATOM 137 CA ARG A 11 -5.792 12.423 -9.934 1.00 0.00 C ATOM 138 C ARG A 11 -6.111 13.710 -9.126 1.00 0.00 C ATOM 139 O ARG A 11 -5.347 14.682 -9.160 1.00 0.00 O ATOM 140 CB ARG A 11 -6.504 12.430 -11.317 1.00 0.00 C ATOM 141 CG ARG A 11 -5.633 11.958 -12.504 1.00 0.00 C ATOM 142 CD ARG A 11 -6.445 11.205 -13.575 1.00 0.00 C ATOM 143 NE ARG A 11 -7.477 12.072 -14.196 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.311 12.775 -15.335 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.539 12.323 -16.314 1.00 0.00 N ATOM 146 NH2 ARG A 11 -7.941 13.927 -15.525 1.00 0.00 N ATOM 0 H ARG A 11 -7.100 10.835 -9.449 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.721 12.372 -10.129 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.386 11.793 -11.258 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.855 13.441 -11.523 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.150 12.822 -12.961 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.840 11.309 -12.132 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.771 10.833 -14.347 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.924 10.336 -13.124 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.380 12.141 -13.726 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.058 11.429 -16.213 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.426 12.869 -17.168 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.562 14.294 -14.804 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.804 14.446 -16.392 1.00 0.00 H new ATOM 160 N ALA A 12 -7.261 13.704 -8.424 1.00 0.00 N ATOM 161 CA ALA A 12 -7.704 14.849 -7.585 1.00 0.00 C ATOM 162 C ALA A 12 -6.769 14.998 -6.354 1.00 0.00 C ATOM 163 O ALA A 12 -6.591 16.103 -5.827 1.00 0.00 O ATOM 164 CB ALA A 12 -9.173 14.635 -7.167 1.00 0.00 C ATOM 0 H ALA A 12 -7.908 12.916 -8.418 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.644 15.776 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.502 15.472 -6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.799 14.571 -8.057 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.258 13.710 -6.596 1.00 0.00 H new ATOM 170 N PHE A 13 -6.201 13.868 -5.892 1.00 0.00 N ATOM 171 CA PHE A 13 -5.308 13.836 -4.703 1.00 0.00 C ATOM 172 C PHE A 13 -3.993 14.600 -5.022 1.00 0.00 C ATOM 173 O PHE A 13 -3.611 15.528 -4.300 1.00 0.00 O ATOM 174 CB PHE A 13 -5.072 12.356 -4.285 1.00 0.00 C ATOM 175 CG PHE A 13 -4.365 12.163 -2.929 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.447 13.116 -2.470 1.00 0.00 C ATOM 177 CD2 PHE A 13 -4.623 11.030 -2.149 1.00 0.00 C ATOM 178 CE1 PHE A 13 -2.795 12.934 -1.252 1.00 0.00 C ATOM 179 CE2 PHE A 13 -3.969 10.851 -0.932 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.056 11.802 -0.485 1.00 0.00 C ATOM 0 H PHE A 13 -6.342 12.955 -6.324 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.767 14.342 -3.853 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.035 11.847 -4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.480 11.866 -5.058 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.244 13.996 -3.063 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.332 10.291 -2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.087 13.671 -0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.170 9.974 -0.335 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.549 11.661 0.458 1.00 0.00 H new ATOM 190 N LEU A 14 -3.323 14.196 -6.117 1.00 0.00 N ATOM 191 CA LEU A 14 -2.008 14.759 -6.523 1.00 0.00 C ATOM 192 C LEU A 14 -2.163 15.358 -7.948 1.00 0.00 C ATOM 193 O LEU A 14 -2.664 14.693 -8.862 1.00 0.00 O ATOM 194 CB LEU A 14 -0.894 13.670 -6.470 1.00 0.00 C ATOM 195 CG LEU A 14 -1.337 12.185 -6.617 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.748 11.866 -8.068 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.250 11.195 -6.150 1.00 0.00 C ATOM 0 H LEU A 14 -3.670 13.473 -6.747 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.702 15.544 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.174 13.886 -7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.368 13.772 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.202 12.059 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.052 10.822 -8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.580 12.507 -8.360 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.903 12.043 -8.733 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.610 10.174 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.651 11.336 -6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.022 11.374 -5.099 1.00 0.00 H new ATOM 209 N SER A 15 -1.698 16.609 -8.123 1.00 0.00 N ATOM 210 CA SER A 15 -1.811 17.347 -9.409 1.00 0.00 C ATOM 211 C SER A 15 -0.823 16.749 -10.447 1.00 0.00 C ATOM 212 O SER A 15 -0.453 15.572 -10.361 1.00 0.00 O ATOM 213 CB SER A 15 -1.565 18.853 -9.161 1.00 0.00 C ATOM 214 OG SER A 15 -2.000 19.245 -7.863 1.00 0.00 O ATOM 0 H SER A 15 -1.235 17.140 -7.386 1.00 0.00 H new ATOM 0 HA SER A 15 -2.815 17.240 -9.820 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.503 19.073 -9.272 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.092 19.438 -9.915 1.00 0.00 H new ATOM 0 HG SER A 15 -1.829 20.202 -7.736 1.00 0.00 H new ATOM 220 N GLU A 16 -0.431 17.569 -11.439 1.00 0.00 N ATOM 221 CA GLU A 16 0.484 17.142 -12.532 1.00 0.00 C ATOM 222 C GLU A 16 1.942 17.161 -11.994 1.00 0.00 C ATOM 223 O GLU A 16 2.765 16.331 -12.398 1.00 0.00 O ATOM 224 CB GLU A 16 0.274 18.030 -13.791 1.00 0.00 C ATOM 225 CG GLU A 16 1.339 17.907 -14.907 1.00 0.00 C ATOM 226 CD GLU A 16 1.456 19.143 -15.805 1.00 0.00 C ATOM 227 OE1 GLU A 16 0.452 19.871 -15.966 1.00 0.00 O ATOM 228 OE2 GLU A 16 2.552 19.389 -16.356 1.00 0.00 O ATOM 0 H GLU A 16 -0.733 18.541 -11.513 1.00 0.00 H new ATOM 0 HA GLU A 16 0.264 16.123 -12.849 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.699 17.790 -14.220 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.233 19.071 -13.471 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.308 17.712 -14.448 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.101 17.043 -15.527 1.00 0.00 H new ATOM 235 N GLU A 17 2.240 18.137 -11.109 1.00 0.00 N ATOM 236 CA GLU A 17 3.621 18.348 -10.589 1.00 0.00 C ATOM 237 C GLU A 17 4.160 16.983 -10.077 1.00 0.00 C ATOM 238 O GLU A 17 5.317 16.628 -10.328 1.00 0.00 O ATOM 239 CB GLU A 17 3.658 19.467 -9.507 1.00 0.00 C ATOM 240 CG GLU A 17 3.507 20.921 -10.013 1.00 0.00 C ATOM 241 CD GLU A 17 3.977 21.985 -9.016 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.849 21.681 -8.173 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.478 23.131 -9.073 1.00 0.00 O ATOM 0 H GLU A 17 1.551 18.791 -10.738 1.00 0.00 H new ATOM 0 HA GLU A 17 4.276 18.703 -11.385 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.863 19.272 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.602 19.390 -8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.072 21.032 -10.939 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.460 21.103 -10.255 1.00 0.00 H new ATOM 250 N MET A 18 3.312 16.247 -9.335 1.00 0.00 N ATOM 251 CA MET A 18 3.703 14.972 -8.676 1.00 0.00 C ATOM 252 C MET A 18 3.698 13.853 -9.753 1.00 0.00 C ATOM 253 O MET A 18 4.512 12.922 -9.698 1.00 0.00 O ATOM 254 CB MET A 18 2.768 14.641 -7.479 1.00 0.00 C ATOM 255 CG MET A 18 2.495 15.799 -6.500 1.00 0.00 C ATOM 256 SD MET A 18 4.006 16.223 -5.605 1.00 0.00 S ATOM 257 CE MET A 18 3.350 16.615 -3.970 1.00 0.00 C ATOM 0 H MET A 18 2.340 16.511 -9.172 1.00 0.00 H new ATOM 0 HA MET A 18 4.704 15.060 -8.253 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.814 14.292 -7.874 1.00 0.00 H new ATOM 0 HB3 MET A 18 3.204 13.813 -6.920 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.130 16.669 -7.046 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.714 15.514 -5.796 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.169 16.895 -3.307 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.647 17.444 -4.049 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.838 15.742 -3.565 1.00 0.00 H new ATOM 267 N ILE A 19 2.754 13.943 -10.708 1.00 0.00 N ATOM 268 CA ILE A 19 2.539 12.899 -11.747 1.00 0.00 C ATOM 269 C ILE A 19 3.900 12.697 -12.465 1.00 0.00 C ATOM 270 O ILE A 19 4.228 11.578 -12.885 1.00 0.00 O ATOM 271 CB ILE A 19 1.335 13.255 -12.699 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.046 12.819 -12.113 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.513 12.675 -14.128 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.223 13.768 -12.392 1.00 0.00 C ATOM 0 H ILE A 19 2.117 14.736 -10.788 1.00 0.00 H new ATOM 0 HA ILE A 19 2.233 11.950 -11.308 1.00 0.00 H new ATOM 0 HB ILE A 19 1.341 14.343 -12.772 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.294 11.836 -12.513 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.058 12.707 -11.034 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.655 12.950 -14.742 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.422 13.078 -14.574 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.586 11.589 -14.073 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.130 13.366 -11.939 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.009 14.748 -11.967 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.366 13.863 -13.468 1.00 0.00 H new ATOM 286 N ALA A 20 4.672 13.787 -12.630 1.00 0.00 N ATOM 287 CA ALA A 20 5.948 13.774 -13.397 1.00 0.00 C ATOM 288 C ALA A 20 6.980 12.844 -12.704 1.00 0.00 C ATOM 289 O ALA A 20 7.740 12.134 -13.375 1.00 0.00 O ATOM 290 CB ALA A 20 6.470 15.218 -13.526 1.00 0.00 C ATOM 0 H ALA A 20 4.438 14.700 -12.241 1.00 0.00 H new ATOM 0 HA ALA A 20 5.781 13.378 -14.399 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.405 15.218 -14.087 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.733 15.826 -14.050 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.643 15.633 -12.533 1.00 0.00 H new ATOM 296 N GLU A 21 7.013 12.886 -11.359 1.00 0.00 N ATOM 297 CA GLU A 21 7.971 12.090 -10.546 1.00 0.00 C ATOM 298 C GLU A 21 7.738 10.585 -10.848 1.00 0.00 C ATOM 299 O GLU A 21 8.681 9.785 -10.841 1.00 0.00 O ATOM 300 CB GLU A 21 7.831 12.454 -9.040 1.00 0.00 C ATOM 301 CG GLU A 21 8.209 11.350 -8.024 1.00 0.00 C ATOM 302 CD GLU A 21 7.860 11.690 -6.571 1.00 0.00 C ATOM 303 OE1 GLU A 21 8.324 12.736 -6.066 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.118 10.913 -5.930 1.00 0.00 O ATOM 0 H GLU A 21 6.385 13.466 -10.802 1.00 0.00 H new ATOM 0 HA GLU A 21 9.002 12.324 -10.811 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.452 13.327 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.798 12.748 -8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.701 10.426 -8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.280 11.158 -8.094 1.00 0.00 H new ATOM 311 N PHE A 22 6.466 10.214 -11.080 1.00 0.00 N ATOM 312 CA PHE A 22 6.054 8.800 -11.290 1.00 0.00 C ATOM 313 C PHE A 22 6.401 8.389 -12.748 1.00 0.00 C ATOM 314 O PHE A 22 6.685 7.216 -13.018 1.00 0.00 O ATOM 315 CB PHE A 22 4.539 8.619 -10.973 1.00 0.00 C ATOM 316 CG PHE A 22 4.162 8.727 -9.481 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.664 7.804 -8.557 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.334 9.763 -9.033 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.359 7.926 -7.203 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.030 9.884 -7.679 1.00 0.00 C ATOM 321 CZ PHE A 22 3.550 8.971 -6.764 1.00 0.00 C ATOM 0 H PHE A 22 5.692 10.877 -11.129 1.00 0.00 H new ATOM 0 HA PHE A 22 6.596 8.145 -10.608 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.976 9.369 -11.529 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.221 7.644 -11.342 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.291 6.993 -8.895 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.929 10.472 -9.740 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.750 7.211 -6.494 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.391 10.686 -7.338 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.325 9.074 -5.713 1.00 0.00 H new ATOM 331 N LYS A 23 6.342 9.361 -13.677 1.00 0.00 N ATOM 332 CA LYS A 23 6.561 9.124 -15.130 1.00 0.00 C ATOM 333 C LYS A 23 7.878 8.318 -15.293 1.00 0.00 C ATOM 334 O LYS A 23 7.953 7.389 -16.107 1.00 0.00 O ATOM 335 CB LYS A 23 6.623 10.464 -15.921 1.00 0.00 C ATOM 336 CG LYS A 23 5.280 11.063 -16.402 1.00 0.00 C ATOM 337 CD LYS A 23 5.405 12.373 -17.208 1.00 0.00 C ATOM 338 CE LYS A 23 6.648 12.395 -18.116 1.00 0.00 C ATOM 339 NZ LYS A 23 6.457 13.287 -19.273 1.00 0.00 N ATOM 0 H LYS A 23 6.142 10.335 -13.449 1.00 0.00 H new ATOM 0 HA LYS A 23 5.724 8.559 -15.540 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.118 11.205 -15.293 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.257 10.312 -16.794 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.768 10.323 -17.017 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.649 11.247 -15.533 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.512 12.506 -17.818 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.449 13.216 -16.519 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.514 12.724 -17.541 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.862 11.385 -18.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.313 13.278 -19.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.646 12.958 -19.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.277 14.255 -18.939 1.00 0.00 H new ATOM 353 N ALA A 24 8.917 8.709 -14.532 1.00 0.00 N ATOM 354 CA ALA A 24 10.275 8.114 -14.646 1.00 0.00 C ATOM 355 C ALA A 24 10.207 6.583 -14.388 1.00 0.00 C ATOM 356 O ALA A 24 10.664 5.777 -15.207 1.00 0.00 O ATOM 357 CB ALA A 24 11.221 8.823 -13.657 1.00 0.00 C ATOM 0 H ALA A 24 8.847 9.440 -13.824 1.00 0.00 H new ATOM 0 HA ALA A 24 10.666 8.256 -15.653 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.219 8.392 -13.735 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.266 9.886 -13.895 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.848 8.694 -12.641 1.00 0.00 H new ATOM 363 N ALA A 25 9.652 6.203 -13.222 1.00 0.00 N ATOM 364 CA ALA A 25 9.600 4.790 -12.765 1.00 0.00 C ATOM 365 C ALA A 25 8.545 3.976 -13.564 1.00 0.00 C ATOM 366 O ALA A 25 8.558 2.737 -13.513 1.00 0.00 O ATOM 367 CB ALA A 25 9.304 4.768 -11.250 1.00 0.00 C ATOM 0 H ALA A 25 9.227 6.860 -12.568 1.00 0.00 H new ATOM 0 HA ALA A 25 10.563 4.314 -12.949 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.263 3.736 -10.902 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.093 5.300 -10.717 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.347 5.253 -11.059 1.00 0.00 H new ATOM 373 N PHE A 26 7.642 4.665 -14.285 1.00 0.00 N ATOM 374 CA PHE A 26 6.509 4.018 -15.002 1.00 0.00 C ATOM 375 C PHE A 26 7.097 3.128 -16.131 1.00 0.00 C ATOM 376 O PHE A 26 6.683 1.976 -16.307 1.00 0.00 O ATOM 377 CB PHE A 26 5.506 5.076 -15.550 1.00 0.00 C ATOM 378 CG PHE A 26 4.553 4.563 -16.653 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.331 3.973 -16.312 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.891 4.707 -18.004 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.452 3.550 -17.307 1.00 0.00 C ATOM 382 CE2 PHE A 26 4.011 4.284 -18.997 1.00 0.00 C ATOM 383 CZ PHE A 26 2.804 3.684 -18.648 1.00 0.00 C ATOM 0 H PHE A 26 7.669 5.679 -14.392 1.00 0.00 H new ATOM 0 HA PHE A 26 5.938 3.395 -14.314 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.908 5.452 -14.720 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.071 5.921 -15.943 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.068 3.845 -15.272 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.838 5.148 -18.277 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.499 3.119 -17.039 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.265 4.421 -20.038 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.139 3.322 -19.418 1.00 0.00 H new ATOM 393 N ASP A 27 8.052 3.685 -16.899 1.00 0.00 N ATOM 394 CA ASP A 27 8.691 2.977 -18.040 1.00 0.00 C ATOM 395 C ASP A 27 9.605 1.853 -17.478 1.00 0.00 C ATOM 396 O ASP A 27 9.721 0.779 -18.081 1.00 0.00 O ATOM 397 CB ASP A 27 9.454 3.961 -18.973 1.00 0.00 C ATOM 398 CG ASP A 27 10.529 4.834 -18.303 1.00 0.00 C ATOM 399 OD1 ASP A 27 11.689 4.380 -18.180 1.00 0.00 O ATOM 400 OD2 ASP A 27 10.217 5.979 -17.905 1.00 0.00 O ATOM 0 H ASP A 27 8.405 4.631 -16.753 1.00 0.00 H new ATOM 0 HA ASP A 27 7.924 2.522 -18.666 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.927 3.383 -19.767 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.725 4.618 -19.448 1.00 0.00 H new ATOM 405 N MET A 28 10.221 2.109 -16.306 1.00 0.00 N ATOM 406 CA MET A 28 11.153 1.146 -15.657 1.00 0.00 C ATOM 407 C MET A 28 10.371 -0.174 -15.411 1.00 0.00 C ATOM 408 O MET A 28 10.898 -1.271 -15.624 1.00 0.00 O ATOM 409 CB MET A 28 11.765 1.717 -14.346 1.00 0.00 C ATOM 410 CG MET A 28 13.082 1.068 -13.880 1.00 0.00 C ATOM 411 SD MET A 28 13.401 1.485 -12.151 1.00 0.00 S ATOM 412 CE MET A 28 12.833 3.197 -12.091 1.00 0.00 C ATOM 0 H MET A 28 10.093 2.975 -15.783 1.00 0.00 H new ATOM 0 HA MET A 28 12.004 0.956 -16.311 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.937 2.785 -14.483 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.029 1.613 -13.549 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.025 -0.014 -13.997 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.907 1.412 -14.504 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.330 3.717 -11.272 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.071 3.692 -13.032 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.755 3.217 -11.933 1.00 0.00 H new ATOM 422 N PHE A 29 9.109 -0.042 -14.959 1.00 0.00 N ATOM 423 CA PHE A 29 8.252 -1.202 -14.596 1.00 0.00 C ATOM 424 C PHE A 29 7.844 -1.939 -15.900 1.00 0.00 C ATOM 425 O PHE A 29 7.723 -3.169 -15.919 1.00 0.00 O ATOM 426 CB PHE A 29 7.014 -0.739 -13.773 1.00 0.00 C ATOM 427 CG PHE A 29 6.328 -1.839 -12.937 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.033 -2.993 -12.576 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.000 -1.688 -12.519 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.412 -3.989 -11.825 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.383 -2.686 -11.768 1.00 0.00 C ATOM 432 CZ PHE A 29 5.086 -3.837 -11.427 1.00 0.00 C ATOM 0 H PHE A 29 8.652 0.861 -14.834 1.00 0.00 H new ATOM 0 HA PHE A 29 8.804 -1.893 -13.959 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.323 0.063 -13.103 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.280 -0.316 -14.459 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.062 -3.112 -12.881 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.452 -0.795 -12.780 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.959 -4.879 -11.551 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.358 -2.566 -11.450 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.603 -4.614 -10.853 1.00 0.00 H new ATOM 442 N ASP A 30 7.648 -1.167 -16.987 1.00 0.00 N ATOM 443 CA ASP A 30 7.162 -1.707 -18.285 1.00 0.00 C ATOM 444 C ASP A 30 8.355 -2.380 -19.019 1.00 0.00 C ATOM 445 O ASP A 30 8.726 -3.516 -18.691 1.00 0.00 O ATOM 446 CB ASP A 30 6.460 -0.608 -19.135 1.00 0.00 C ATOM 447 CG ASP A 30 6.194 -0.956 -20.609 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.395 -2.127 -21.001 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.791 -0.057 -21.380 1.00 0.00 O ATOM 0 H ASP A 30 7.818 -0.161 -16.997 1.00 0.00 H new ATOM 0 HA ASP A 30 6.397 -2.463 -18.112 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.508 -0.366 -18.663 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.071 0.294 -19.101 1.00 0.00 H new ATOM 454 N ALA A 31 8.964 -1.664 -19.982 1.00 0.00 N ATOM 455 CA ALA A 31 10.117 -2.168 -20.775 1.00 0.00 C ATOM 456 C ALA A 31 10.362 -1.240 -21.997 1.00 0.00 C ATOM 457 O ALA A 31 11.509 -0.907 -22.318 1.00 0.00 O ATOM 458 CB ALA A 31 9.848 -3.622 -21.211 1.00 0.00 C ATOM 0 H ALA A 31 8.676 -0.719 -20.238 1.00 0.00 H new ATOM 0 HA ALA A 31 11.020 -2.160 -20.164 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.694 -3.990 -21.792 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.714 -4.248 -20.329 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.946 -3.658 -21.821 1.00 0.00 H new ATOM 464 N ASP A 32 9.263 -0.837 -22.665 1.00 0.00 N ATOM 465 CA ASP A 32 9.321 -0.041 -23.920 1.00 0.00 C ATOM 466 C ASP A 32 9.444 1.462 -23.551 1.00 0.00 C ATOM 467 O ASP A 32 10.282 2.184 -24.106 1.00 0.00 O ATOM 468 CB ASP A 32 8.104 -0.330 -24.850 1.00 0.00 C ATOM 469 CG ASP A 32 7.447 -1.712 -24.690 1.00 0.00 C ATOM 470 OD1 ASP A 32 7.978 -2.701 -25.243 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.404 -1.812 -24.007 1.00 0.00 O ATOM 0 H ASP A 32 8.314 -1.049 -22.358 1.00 0.00 H new ATOM 0 HA ASP A 32 10.199 -0.335 -24.495 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.347 0.433 -24.672 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.429 -0.222 -25.885 1.00 0.00 H new ATOM 476 N GLY A 33 8.588 1.924 -22.620 1.00 0.00 N ATOM 477 CA GLY A 33 8.605 3.330 -22.134 1.00 0.00 C ATOM 478 C GLY A 33 7.427 4.152 -22.722 1.00 0.00 C ATOM 479 O GLY A 33 7.617 5.002 -23.600 1.00 0.00 O ATOM 0 H GLY A 33 7.870 1.346 -22.183 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.549 3.340 -21.045 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.550 3.799 -22.409 1.00 0.00 H new ATOM 483 N GLY A 34 6.208 3.905 -22.201 1.00 0.00 N ATOM 484 CA GLY A 34 4.990 4.642 -22.623 1.00 0.00 C ATOM 485 C GLY A 34 4.153 3.778 -23.599 1.00 0.00 C ATOM 486 O GLY A 34 4.101 4.045 -24.806 1.00 0.00 O ATOM 0 H GLY A 34 6.036 3.199 -21.485 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.391 4.900 -21.749 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.271 5.578 -23.105 1.00 0.00 H new ATOM 490 N GLY A 35 3.484 2.743 -23.053 1.00 0.00 N ATOM 491 CA GLY A 35 2.660 1.804 -23.855 1.00 0.00 C ATOM 492 C GLY A 35 2.059 0.707 -22.939 1.00 0.00 C ATOM 493 O GLY A 35 2.091 -0.484 -23.278 1.00 0.00 O ATOM 0 H GLY A 35 3.496 2.532 -22.055 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.860 2.348 -24.357 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.271 1.345 -24.633 1.00 0.00 H new ATOM 497 N ASP A 36 1.542 1.127 -21.767 1.00 0.00 N ATOM 498 CA ASP A 36 0.919 0.209 -20.778 1.00 0.00 C ATOM 499 C ASP A 36 1.985 -0.821 -20.313 1.00 0.00 C ATOM 500 O ASP A 36 3.129 -0.811 -20.786 1.00 0.00 O ATOM 501 CB ASP A 36 -0.360 -0.469 -21.351 1.00 0.00 C ATOM 502 CG ASP A 36 -0.139 -1.755 -22.166 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.409 -2.735 -21.615 1.00 0.00 O ATOM 504 OD2 ASP A 36 -0.518 -1.788 -23.358 1.00 0.00 O ATOM 0 H ASP A 36 1.542 2.105 -21.476 1.00 0.00 H new ATOM 0 HA ASP A 36 0.584 0.777 -19.910 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.027 -0.700 -20.520 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.877 0.253 -21.983 1.00 0.00 H new ATOM 509 N ILE A 37 1.582 -1.728 -19.403 1.00 0.00 N ATOM 510 CA ILE A 37 2.453 -2.810 -18.868 1.00 0.00 C ATOM 511 C ILE A 37 1.657 -4.143 -18.851 1.00 0.00 C ATOM 512 O ILE A 37 0.654 -4.263 -18.131 1.00 0.00 O ATOM 513 CB ILE A 37 3.102 -2.478 -17.472 1.00 0.00 C ATOM 514 CG1 ILE A 37 3.411 -0.969 -17.217 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.342 -3.368 -17.207 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.680 -0.579 -15.753 1.00 0.00 C ATOM 0 H ILE A 37 0.640 -1.737 -19.012 1.00 0.00 H new ATOM 0 HA ILE A 37 3.307 -2.909 -19.538 1.00 0.00 H new ATOM 0 HB ILE A 37 2.328 -2.717 -16.743 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.280 -0.690 -17.813 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.571 -0.379 -17.582 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.769 -3.117 -16.236 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.045 -4.417 -17.212 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.085 -3.198 -17.986 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.883 0.490 -15.693 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.806 -0.817 -15.147 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.542 -1.133 -15.381 1.00 0.00 H new ATOM 528 N SER A 38 2.123 -5.149 -19.614 1.00 0.00 N ATOM 529 CA SER A 38 1.477 -6.488 -19.667 1.00 0.00 C ATOM 530 C SER A 38 1.891 -7.317 -18.420 1.00 0.00 C ATOM 531 O SER A 38 2.504 -6.785 -17.487 1.00 0.00 O ATOM 532 CB SER A 38 1.850 -7.190 -20.993 1.00 0.00 C ATOM 533 OG SER A 38 0.949 -6.839 -22.039 1.00 0.00 O ATOM 0 H SER A 38 2.948 -5.066 -20.208 1.00 0.00 H new ATOM 0 HA SER A 38 0.392 -6.387 -19.645 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.866 -6.916 -21.278 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.840 -8.270 -20.850 1.00 0.00 H new ATOM 0 HG SER A 38 1.212 -7.297 -22.865 1.00 0.00 H new ATOM 539 N THR A 39 1.534 -8.615 -18.423 1.00 0.00 N ATOM 540 CA THR A 39 1.848 -9.553 -17.313 1.00 0.00 C ATOM 541 C THR A 39 3.317 -10.035 -17.468 1.00 0.00 C ATOM 542 O THR A 39 4.056 -10.128 -16.480 1.00 0.00 O ATOM 543 CB THR A 39 0.831 -10.734 -17.235 1.00 0.00 C ATOM 544 OG1 THR A 39 0.135 -10.884 -18.471 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.217 -10.624 -16.111 1.00 0.00 C ATOM 0 H THR A 39 1.021 -9.049 -19.190 1.00 0.00 H new ATOM 0 HA THR A 39 1.749 -9.032 -16.361 1.00 0.00 H new ATOM 0 HB THR A 39 1.451 -11.602 -17.011 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.496 -11.630 -18.402 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.876 -11.492 -16.142 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.288 -10.585 -15.146 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.805 -9.717 -16.250 1.00 0.00 H new ATOM 553 N LYS A 40 3.726 -10.339 -18.715 1.00 0.00 N ATOM 554 CA LYS A 40 5.103 -10.814 -19.018 1.00 0.00 C ATOM 555 C LYS A 40 6.113 -9.735 -18.537 1.00 0.00 C ATOM 556 O LYS A 40 7.217 -10.062 -18.084 1.00 0.00 O ATOM 557 CB LYS A 40 5.224 -11.153 -20.532 1.00 0.00 C ATOM 558 CG LYS A 40 3.937 -11.140 -21.394 1.00 0.00 C ATOM 559 CD LYS A 40 4.012 -11.638 -22.857 1.00 0.00 C ATOM 560 CE LYS A 40 3.166 -10.865 -23.894 1.00 0.00 C ATOM 561 NZ LYS A 40 2.433 -11.735 -24.831 1.00 0.00 N ATOM 0 H LYS A 40 3.125 -10.266 -19.536 1.00 0.00 H new ATOM 0 HA LYS A 40 5.333 -11.737 -18.485 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.928 -10.448 -20.975 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.670 -12.144 -20.616 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.189 -11.743 -20.879 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.563 -10.116 -21.413 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.054 -11.606 -23.175 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.705 -12.684 -22.877 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.452 -10.231 -23.367 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.820 -10.204 -24.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.889 -11.149 -25.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.109 -12.322 -25.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.783 -12.349 -24.299 1.00 0.00 H new ATOM 575 N GLU A 41 5.724 -8.452 -18.663 1.00 0.00 N ATOM 576 CA GLU A 41 6.612 -7.300 -18.354 1.00 0.00 C ATOM 577 C GLU A 41 6.669 -7.100 -16.815 1.00 0.00 C ATOM 578 O GLU A 41 7.742 -6.864 -16.248 1.00 0.00 O ATOM 579 CB GLU A 41 6.155 -6.019 -19.109 1.00 0.00 C ATOM 580 CG GLU A 41 5.059 -6.174 -20.194 1.00 0.00 C ATOM 581 CD GLU A 41 5.235 -5.247 -21.401 1.00 0.00 C ATOM 582 OE1 GLU A 41 6.368 -4.775 -21.641 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.241 -4.989 -22.115 1.00 0.00 O ATOM 0 H GLU A 41 4.793 -8.179 -18.979 1.00 0.00 H new ATOM 0 HA GLU A 41 7.622 -7.510 -18.706 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.795 -5.304 -18.369 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.033 -5.576 -19.580 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.051 -7.207 -20.542 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.086 -5.982 -19.742 1.00 0.00 H new ATOM 590 N LEU A 42 5.494 -7.168 -16.161 1.00 0.00 N ATOM 591 CA LEU A 42 5.363 -6.957 -14.695 1.00 0.00 C ATOM 592 C LEU A 42 6.429 -7.832 -13.981 1.00 0.00 C ATOM 593 O LEU A 42 7.273 -7.322 -13.235 1.00 0.00 O ATOM 594 CB LEU A 42 3.919 -7.297 -14.213 1.00 0.00 C ATOM 595 CG LEU A 42 3.442 -6.665 -12.873 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.751 -5.301 -13.076 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.503 -7.619 -12.109 1.00 0.00 C ATOM 0 H LEU A 42 4.609 -7.369 -16.626 1.00 0.00 H new ATOM 0 HA LEU A 42 5.535 -5.909 -14.449 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.223 -6.993 -14.995 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.841 -8.380 -14.121 1.00 0.00 H new ATOM 0 HG LEU A 42 4.340 -6.497 -12.279 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.438 -4.904 -12.110 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.448 -4.606 -13.545 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.878 -5.427 -13.717 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.187 -7.150 -11.178 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.628 -7.836 -12.721 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.029 -8.547 -11.887 1.00 0.00 H new ATOM 609 N GLY A 43 6.356 -9.159 -14.200 1.00 0.00 N ATOM 610 CA GLY A 43 7.226 -10.143 -13.509 1.00 0.00 C ATOM 611 C GLY A 43 8.711 -9.700 -13.574 1.00 0.00 C ATOM 612 O GLY A 43 9.484 -9.945 -12.638 1.00 0.00 O ATOM 0 H GLY A 43 5.699 -9.582 -14.855 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.916 -10.243 -12.469 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.113 -11.124 -13.971 1.00 0.00 H new ATOM 616 N THR A 44 9.098 -9.075 -14.701 1.00 0.00 N ATOM 617 CA THR A 44 10.507 -8.684 -14.974 1.00 0.00 C ATOM 618 C THR A 44 11.058 -7.907 -13.747 1.00 0.00 C ATOM 619 O THR A 44 12.073 -8.294 -13.156 1.00 0.00 O ATOM 620 CB THR A 44 10.644 -7.882 -16.306 1.00 0.00 C ATOM 621 OG1 THR A 44 10.077 -8.611 -17.393 1.00 0.00 O ATOM 622 CG2 THR A 44 12.083 -7.495 -16.694 1.00 0.00 C ATOM 0 H THR A 44 8.452 -8.825 -15.449 1.00 0.00 H new ATOM 0 HA THR A 44 11.110 -9.581 -15.117 1.00 0.00 H new ATOM 0 HB THR A 44 10.105 -6.954 -16.113 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.171 -8.092 -18.219 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.070 -6.942 -17.633 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.516 -6.872 -15.911 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.683 -8.397 -16.813 1.00 0.00 H new ATOM 630 N VAL A 45 10.388 -6.793 -13.399 1.00 0.00 N ATOM 631 CA VAL A 45 10.834 -5.865 -12.325 1.00 0.00 C ATOM 632 C VAL A 45 10.787 -6.642 -10.981 1.00 0.00 C ATOM 633 O VAL A 45 11.602 -6.393 -10.082 1.00 0.00 O ATOM 634 CB VAL A 45 10.000 -4.534 -12.316 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.666 -4.003 -10.899 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.684 -3.393 -13.107 1.00 0.00 C ATOM 0 H VAL A 45 9.520 -6.504 -13.851 1.00 0.00 H new ATOM 0 HA VAL A 45 11.858 -5.536 -12.502 1.00 0.00 H new ATOM 0 HB VAL A 45 9.069 -4.820 -12.805 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.089 -3.082 -10.982 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.083 -4.749 -10.359 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.591 -3.804 -10.358 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.062 -2.499 -13.066 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.658 -3.178 -12.667 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.814 -3.697 -14.146 1.00 0.00 H new ATOM 646 N MET A 46 9.810 -7.558 -10.844 1.00 0.00 N ATOM 647 CA MET A 46 9.587 -8.328 -9.590 1.00 0.00 C ATOM 648 C MET A 46 10.882 -9.123 -9.270 1.00 0.00 C ATOM 649 O MET A 46 11.219 -9.332 -8.097 1.00 0.00 O ATOM 650 CB MET A 46 8.344 -9.254 -9.707 1.00 0.00 C ATOM 651 CG MET A 46 7.013 -8.660 -9.208 1.00 0.00 C ATOM 652 SD MET A 46 6.157 -9.853 -8.155 1.00 0.00 S ATOM 653 CE MET A 46 6.824 -9.433 -6.532 1.00 0.00 C ATOM 0 H MET A 46 9.153 -7.789 -11.589 1.00 0.00 H new ATOM 0 HA MET A 46 9.374 -7.646 -8.767 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.224 -9.538 -10.753 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.543 -10.169 -9.149 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.201 -7.742 -8.652 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.383 -8.395 -10.057 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.386 -10.088 -5.778 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.906 -9.561 -6.539 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.583 -8.397 -6.297 1.00 0.00 H new ATOM 663 N ARG A 47 11.587 -9.578 -10.323 1.00 0.00 N ATOM 664 CA ARG A 47 12.781 -10.455 -10.191 1.00 0.00 C ATOM 665 C ARG A 47 13.931 -9.669 -9.502 1.00 0.00 C ATOM 666 O ARG A 47 14.732 -10.251 -8.761 1.00 0.00 O ATOM 667 CB ARG A 47 13.220 -10.987 -11.584 1.00 0.00 C ATOM 668 CG ARG A 47 14.186 -12.194 -11.542 1.00 0.00 C ATOM 669 CD ARG A 47 15.392 -12.042 -12.490 1.00 0.00 C ATOM 670 NE ARG A 47 16.544 -12.880 -12.069 1.00 0.00 N ATOM 671 CZ ARG A 47 17.544 -13.285 -12.880 1.00 0.00 C ATOM 672 NH1 ARG A 47 17.623 -12.984 -14.175 1.00 0.00 N ATOM 673 NH2 ARG A 47 18.503 -14.027 -12.358 1.00 0.00 N ATOM 0 H ARG A 47 11.351 -9.353 -11.289 1.00 0.00 H new ATOM 0 HA ARG A 47 12.530 -11.316 -9.572 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.330 -11.271 -12.146 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.698 -10.176 -12.133 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.548 -12.325 -10.522 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.638 -13.099 -11.805 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.094 -12.318 -13.502 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.698 -10.996 -12.522 1.00 0.00 H new ATOM 0 HE ARG A 47 16.582 -13.172 -11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.899 -12.414 -14.611 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.408 -13.324 -14.731 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.473 -14.277 -11.370 1.00 0.00 H new ATOM 0 HH22 ARG A 47 19.274 -14.350 -12.943 1.00 0.00 H new ATOM 687 N MET A 48 14.013 -8.354 -9.786 1.00 0.00 N ATOM 688 CA MET A 48 15.122 -7.488 -9.301 1.00 0.00 C ATOM 689 C MET A 48 15.281 -7.715 -7.771 1.00 0.00 C ATOM 690 O MET A 48 16.390 -7.605 -7.233 1.00 0.00 O ATOM 691 CB MET A 48 14.882 -5.991 -9.646 1.00 0.00 C ATOM 692 CG MET A 48 15.659 -5.448 -10.860 1.00 0.00 C ATOM 693 SD MET A 48 16.218 -3.761 -10.535 1.00 0.00 S ATOM 694 CE MET A 48 16.156 -3.044 -12.190 1.00 0.00 C ATOM 0 H MET A 48 13.323 -7.860 -10.352 1.00 0.00 H new ATOM 0 HA MET A 48 16.048 -7.761 -9.808 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.817 -5.846 -9.826 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.142 -5.391 -8.774 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.515 -6.089 -11.070 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.024 -5.465 -11.745 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.475 -2.002 -12.147 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.820 -3.600 -12.852 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.136 -3.096 -12.571 1.00 0.00 H new ATOM 704 N LEU A 49 14.164 -8.028 -7.089 1.00 0.00 N ATOM 705 CA LEU A 49 14.153 -8.305 -5.627 1.00 0.00 C ATOM 706 C LEU A 49 15.292 -9.314 -5.320 1.00 0.00 C ATOM 707 O LEU A 49 16.332 -8.951 -4.756 1.00 0.00 O ATOM 708 CB LEU A 49 12.763 -8.844 -5.173 1.00 0.00 C ATOM 709 CG LEU A 49 11.783 -7.832 -4.513 1.00 0.00 C ATOM 710 CD1 LEU A 49 11.255 -6.782 -5.512 1.00 0.00 C ATOM 711 CD2 LEU A 49 10.600 -8.556 -3.839 1.00 0.00 C ATOM 0 H LEU A 49 13.245 -8.098 -7.526 1.00 0.00 H new ATOM 0 HA LEU A 49 14.324 -7.386 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.268 -9.273 -6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.931 -9.658 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 49 12.358 -7.305 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.576 -6.101 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.092 -6.218 -5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.724 -7.284 -6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.934 -7.821 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.053 -9.132 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.976 -9.227 -3.067 1.00 0.00 H new ATOM 723 N GLY A 50 15.084 -10.588 -5.707 1.00 0.00 N ATOM 724 CA GLY A 50 16.086 -11.664 -5.502 1.00 0.00 C ATOM 725 C GLY A 50 15.655 -12.949 -6.255 1.00 0.00 C ATOM 726 O GLY A 50 16.408 -13.474 -7.087 1.00 0.00 O ATOM 0 H GLY A 50 14.229 -10.902 -6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.062 -11.335 -5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.191 -11.875 -4.438 1.00 0.00 H new ATOM 730 N GLN A 51 14.427 -13.422 -5.972 1.00 0.00 N ATOM 731 CA GLN A 51 13.875 -14.672 -6.560 1.00 0.00 C ATOM 732 C GLN A 51 13.305 -14.337 -7.965 1.00 0.00 C ATOM 733 O GLN A 51 13.570 -13.262 -8.515 1.00 0.00 O ATOM 734 CB GLN A 51 12.805 -15.289 -5.613 1.00 0.00 C ATOM 735 CG GLN A 51 11.509 -14.465 -5.415 1.00 0.00 C ATOM 736 CD GLN A 51 10.353 -15.242 -4.761 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.556 -16.285 -4.140 1.00 0.00 O ATOM 738 NE2 GLN A 51 9.125 -14.761 -4.887 1.00 0.00 N ATOM 0 H GLN A 51 13.785 -12.955 -5.332 1.00 0.00 H new ATOM 0 HA GLN A 51 14.655 -15.425 -6.673 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.531 -16.271 -6.000 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.263 -15.447 -4.636 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.738 -13.594 -4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.178 -14.094 -6.385 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.967 -13.896 -5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.338 -15.256 -4.467 1.00 0.00 H new ATOM 747 N ASN A 52 12.500 -15.263 -8.520 1.00 0.00 N ATOM 748 CA ASN A 52 11.829 -15.072 -9.833 1.00 0.00 C ATOM 749 C ASN A 52 10.406 -15.743 -9.827 1.00 0.00 C ATOM 750 O ASN A 52 10.322 -16.938 -10.134 1.00 0.00 O ATOM 751 CB ASN A 52 12.746 -15.638 -10.952 1.00 0.00 C ATOM 752 CG ASN A 52 12.436 -15.114 -12.370 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.375 -14.544 -12.622 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.342 -15.301 -13.319 1.00 0.00 N ATOM 0 H ASN A 52 12.294 -16.160 -8.080 1.00 0.00 H new ATOM 0 HA ASN A 52 11.671 -14.011 -10.025 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.781 -15.398 -10.710 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.663 -16.725 -10.955 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.163 -14.971 -14.267 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.219 -15.775 -13.101 1.00 0.00 H new ATOM 761 N PRO A 53 9.279 -15.038 -9.495 1.00 0.00 N ATOM 762 CA PRO A 53 7.908 -15.601 -9.582 1.00 0.00 C ATOM 763 C PRO A 53 7.676 -16.371 -10.912 1.00 0.00 C ATOM 764 O PRO A 53 8.419 -16.191 -11.884 1.00 0.00 O ATOM 765 CB PRO A 53 7.028 -14.344 -9.425 1.00 0.00 C ATOM 766 CG PRO A 53 7.859 -13.321 -8.648 1.00 0.00 C ATOM 767 CD PRO A 53 9.307 -13.635 -9.013 1.00 0.00 C ATOM 0 HA PRO A 53 7.687 -16.358 -8.829 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.740 -13.949 -10.399 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.107 -14.580 -8.892 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.593 -12.302 -8.927 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.694 -13.411 -7.574 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.676 -12.959 -9.784 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.965 -13.526 -8.151 1.00 0.00 H new ATOM 775 N THR A 54 6.618 -17.202 -10.944 1.00 0.00 N ATOM 776 CA THR A 54 6.253 -18.011 -12.138 1.00 0.00 C ATOM 777 C THR A 54 5.257 -17.198 -13.010 1.00 0.00 C ATOM 778 O THR A 54 4.858 -16.083 -12.653 1.00 0.00 O ATOM 779 CB THR A 54 5.703 -19.419 -11.748 1.00 0.00 C ATOM 780 OG1 THR A 54 6.187 -20.415 -12.646 1.00 0.00 O ATOM 781 CG2 THR A 54 4.168 -19.532 -11.694 1.00 0.00 C ATOM 0 H THR A 54 5.991 -17.336 -10.151 1.00 0.00 H new ATOM 0 HA THR A 54 7.149 -18.209 -12.726 1.00 0.00 H new ATOM 0 HB THR A 54 6.069 -19.575 -10.733 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.833 -21.291 -12.385 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.888 -20.548 -11.415 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.777 -18.831 -10.956 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.751 -19.297 -12.673 1.00 0.00 H new ATOM 789 N LYS A 55 4.864 -17.779 -14.161 1.00 0.00 N ATOM 790 CA LYS A 55 3.966 -17.116 -15.143 1.00 0.00 C ATOM 791 C LYS A 55 2.502 -17.300 -14.657 1.00 0.00 C ATOM 792 O LYS A 55 1.668 -16.398 -14.811 1.00 0.00 O ATOM 793 CB LYS A 55 4.199 -17.689 -16.574 1.00 0.00 C ATOM 794 CG LYS A 55 4.856 -19.085 -16.693 1.00 0.00 C ATOM 795 CD LYS A 55 6.365 -19.133 -16.360 1.00 0.00 C ATOM 796 CE LYS A 55 7.037 -17.754 -16.213 1.00 0.00 C ATOM 797 NZ LYS A 55 7.971 -17.438 -17.312 1.00 0.00 N ATOM 0 H LYS A 55 5.155 -18.716 -14.440 1.00 0.00 H new ATOM 0 HA LYS A 55 4.182 -16.050 -15.206 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.235 -17.728 -17.080 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.818 -16.979 -17.122 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.332 -19.773 -16.030 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.713 -19.451 -17.710 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.501 -19.689 -15.432 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.878 -19.690 -17.143 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.266 -16.985 -16.169 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.576 -17.720 -15.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.389 -16.499 -17.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.726 -18.152 -17.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.457 -17.440 -18.216 1.00 0.00 H new ATOM 811 N GLU A 56 2.207 -18.475 -14.072 1.00 0.00 N ATOM 812 CA GLU A 56 0.831 -18.849 -13.649 1.00 0.00 C ATOM 813 C GLU A 56 0.389 -17.886 -12.514 1.00 0.00 C ATOM 814 O GLU A 56 -0.774 -17.473 -12.452 1.00 0.00 O ATOM 815 CB GLU A 56 0.777 -20.352 -13.249 1.00 0.00 C ATOM 816 CG GLU A 56 0.207 -21.328 -14.306 1.00 0.00 C ATOM 817 CD GLU A 56 -1.284 -21.634 -14.136 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.852 -21.311 -13.069 1.00 0.00 O ATOM 819 OE2 GLU A 56 -1.897 -22.197 -15.071 1.00 0.00 O ATOM 0 H GLU A 56 2.905 -19.192 -13.877 1.00 0.00 H new ATOM 0 HA GLU A 56 0.123 -18.739 -14.471 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.787 -20.674 -12.997 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.178 -20.443 -12.343 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.370 -20.907 -15.298 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.766 -22.263 -14.261 1.00 0.00 H new ATOM 826 N GLU A 57 1.334 -17.551 -11.616 1.00 0.00 N ATOM 827 CA GLU A 57 1.073 -16.660 -10.454 1.00 0.00 C ATOM 828 C GLU A 57 0.940 -15.197 -10.958 1.00 0.00 C ATOM 829 O GLU A 57 0.205 -14.392 -10.374 1.00 0.00 O ATOM 830 CB GLU A 57 2.169 -16.822 -9.362 1.00 0.00 C ATOM 831 CG GLU A 57 3.521 -17.450 -9.783 1.00 0.00 C ATOM 832 CD GLU A 57 4.230 -18.222 -8.666 1.00 0.00 C ATOM 833 OE1 GLU A 57 3.873 -19.396 -8.422 1.00 0.00 O ATOM 834 OE2 GLU A 57 5.145 -17.658 -8.027 1.00 0.00 O ATOM 0 H GLU A 57 2.297 -17.884 -11.668 1.00 0.00 H new ATOM 0 HA GLU A 57 0.134 -16.942 -9.977 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.373 -15.836 -8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.753 -17.429 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.350 -18.124 -10.623 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.181 -16.659 -10.138 1.00 0.00 H new ATOM 841 N LEU A 58 1.684 -14.863 -12.029 1.00 0.00 N ATOM 842 CA LEU A 58 1.702 -13.493 -12.609 1.00 0.00 C ATOM 843 C LEU A 58 0.248 -13.082 -12.972 1.00 0.00 C ATOM 844 O LEU A 58 -0.202 -11.984 -12.624 1.00 0.00 O ATOM 845 CB LEU A 58 2.681 -13.476 -13.818 1.00 0.00 C ATOM 846 CG LEU A 58 4.029 -12.727 -13.615 1.00 0.00 C ATOM 847 CD1 LEU A 58 3.929 -11.214 -13.902 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.564 -12.954 -12.187 1.00 0.00 C ATOM 0 H LEU A 58 2.287 -15.524 -12.518 1.00 0.00 H new ATOM 0 HA LEU A 58 2.067 -12.753 -11.897 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.903 -14.508 -14.091 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.166 -13.026 -14.667 1.00 0.00 H new ATOM 0 HG LEU A 58 4.725 -13.146 -14.341 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.902 -10.748 -13.743 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.618 -11.059 -14.935 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.197 -10.764 -13.231 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.508 -12.423 -12.063 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.840 -12.580 -11.463 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.724 -14.020 -12.023 1.00 0.00 H new ATOM 860 N ASP A 59 -0.473 -13.990 -13.656 1.00 0.00 N ATOM 861 CA ASP A 59 -1.848 -13.727 -14.157 1.00 0.00 C ATOM 862 C ASP A 59 -2.780 -13.467 -12.942 1.00 0.00 C ATOM 863 O ASP A 59 -3.750 -12.705 -13.042 1.00 0.00 O ATOM 864 CB ASP A 59 -2.358 -14.881 -15.068 1.00 0.00 C ATOM 865 CG ASP A 59 -3.744 -14.678 -15.705 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.862 -13.874 -16.655 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.717 -15.322 -15.252 1.00 0.00 O ATOM 0 H ASP A 59 -0.127 -14.923 -13.879 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.844 -12.839 -14.788 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.632 -15.034 -15.867 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.382 -15.798 -14.479 1.00 0.00 H new ATOM 872 N ALA A 60 -2.488 -14.133 -11.810 1.00 0.00 N ATOM 873 CA ALA A 60 -3.292 -14.009 -10.565 1.00 0.00 C ATOM 874 C ALA A 60 -3.089 -12.603 -9.938 1.00 0.00 C ATOM 875 O ALA A 60 -4.015 -12.034 -9.348 1.00 0.00 O ATOM 876 CB ALA A 60 -2.893 -15.136 -9.592 1.00 0.00 C ATOM 0 H ALA A 60 -1.696 -14.770 -11.725 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.353 -14.113 -10.791 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.479 -15.051 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.085 -16.103 -10.057 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.833 -15.052 -9.353 1.00 0.00 H new ATOM 882 N ILE A 61 -1.865 -12.061 -10.078 1.00 0.00 N ATOM 883 CA ILE A 61 -1.462 -10.775 -9.449 1.00 0.00 C ATOM 884 C ILE A 61 -2.335 -9.675 -10.115 1.00 0.00 C ATOM 885 O ILE A 61 -2.879 -8.802 -9.425 1.00 0.00 O ATOM 886 CB ILE A 61 0.091 -10.535 -9.543 1.00 0.00 C ATOM 887 CG1 ILE A 61 0.848 -10.972 -8.248 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.447 -9.065 -9.895 1.00 0.00 C ATOM 889 CD1 ILE A 61 1.595 -9.856 -7.499 1.00 0.00 C ATOM 0 H ILE A 61 -1.124 -12.496 -10.628 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.643 -10.770 -8.374 1.00 0.00 H new ATOM 0 HB ILE A 61 0.428 -11.171 -10.361 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.129 -11.424 -7.565 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.566 -11.748 -8.514 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.530 -8.955 -9.947 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.009 -8.805 -10.859 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.052 -8.401 -9.126 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.083 -10.273 -6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.346 -9.416 -8.156 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.887 -9.087 -7.192 1.00 0.00 H new ATOM 901 N ILE A 62 -2.461 -9.735 -11.454 1.00 0.00 N ATOM 902 CA ILE A 62 -3.173 -8.707 -12.260 1.00 0.00 C ATOM 903 C ILE A 62 -4.675 -8.819 -11.879 1.00 0.00 C ATOM 904 O ILE A 62 -5.362 -7.800 -11.733 1.00 0.00 O ATOM 905 CB ILE A 62 -2.866 -8.850 -13.798 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.491 -8.225 -14.200 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.996 -8.265 -14.689 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.357 -7.790 -15.669 1.00 0.00 C ATOM 0 H ILE A 62 -2.074 -10.495 -12.014 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.827 -7.698 -12.036 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.813 -9.924 -13.979 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.308 -7.357 -13.566 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.706 -8.950 -13.982 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.733 -8.390 -15.739 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.929 -8.789 -14.484 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.120 -7.204 -14.470 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.365 -7.371 -15.835 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.500 -8.653 -16.319 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.111 -7.037 -15.896 1.00 0.00 H new ATOM 920 N GLU A 63 -5.171 -10.064 -11.746 1.00 0.00 N ATOM 921 CA GLU A 63 -6.589 -10.337 -11.385 1.00 0.00 C ATOM 922 C GLU A 63 -6.959 -9.461 -10.157 1.00 0.00 C ATOM 923 O GLU A 63 -8.094 -8.981 -10.044 1.00 0.00 O ATOM 924 CB GLU A 63 -6.811 -11.859 -11.151 1.00 0.00 C ATOM 925 CG GLU A 63 -8.218 -12.411 -11.481 1.00 0.00 C ATOM 926 CD GLU A 63 -9.262 -12.162 -10.386 1.00 0.00 C ATOM 927 OE1 GLU A 63 -9.922 -11.099 -10.410 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.426 -13.028 -9.499 1.00 0.00 O ATOM 0 H GLU A 63 -4.612 -10.906 -11.883 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.258 -10.067 -12.202 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.081 -12.406 -11.748 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.595 -12.078 -10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.566 -11.957 -12.409 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.143 -13.484 -11.659 1.00 0.00 H new ATOM 935 N GLU A 64 -5.977 -9.240 -9.264 1.00 0.00 N ATOM 936 CA GLU A 64 -6.181 -8.468 -8.009 1.00 0.00 C ATOM 937 C GLU A 64 -6.472 -6.990 -8.386 1.00 0.00 C ATOM 938 O GLU A 64 -7.433 -6.389 -7.890 1.00 0.00 O ATOM 939 CB GLU A 64 -4.956 -8.641 -7.065 1.00 0.00 C ATOM 940 CG GLU A 64 -5.241 -8.575 -5.546 1.00 0.00 C ATOM 941 CD GLU A 64 -4.330 -7.612 -4.778 1.00 0.00 C ATOM 942 OE1 GLU A 64 -4.665 -6.411 -4.679 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.276 -8.053 -4.268 1.00 0.00 O ATOM 0 H GLU A 64 -5.025 -9.585 -9.384 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.039 -8.842 -7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.490 -9.602 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.226 -7.870 -7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.278 -8.275 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.133 -9.574 -5.124 1.00 0.00 H new ATOM 950 N VAL A 65 -5.622 -6.416 -9.257 1.00 0.00 N ATOM 951 CA VAL A 65 -5.722 -4.995 -9.685 1.00 0.00 C ATOM 952 C VAL A 65 -6.252 -4.983 -11.145 1.00 0.00 C ATOM 953 O VAL A 65 -5.467 -4.925 -12.100 1.00 0.00 O ATOM 954 CB VAL A 65 -4.363 -4.229 -9.499 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.057 -3.825 -8.035 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.149 -5.020 -10.043 1.00 0.00 C ATOM 0 H VAL A 65 -4.845 -6.917 -9.688 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.422 -4.450 -9.052 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.507 -3.321 -10.084 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.102 -3.301 -7.994 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.846 -3.170 -7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.007 -4.719 -7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.238 -4.442 -9.887 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.069 -5.971 -9.517 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.283 -5.205 -11.109 1.00 0.00 H new ATOM 966 N ASP A 66 -7.588 -5.038 -11.304 1.00 0.00 N ATOM 967 CA ASP A 66 -8.246 -5.034 -12.638 1.00 0.00 C ATOM 968 C ASP A 66 -9.785 -5.031 -12.431 1.00 0.00 C ATOM 969 O ASP A 66 -10.474 -6.007 -12.750 1.00 0.00 O ATOM 970 CB ASP A 66 -7.759 -6.218 -13.523 1.00 0.00 C ATOM 971 CG ASP A 66 -7.442 -5.880 -14.990 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.149 -4.702 -15.291 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.480 -6.794 -15.843 1.00 0.00 O ATOM 0 H ASP A 66 -8.242 -5.086 -10.523 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.967 -4.133 -13.184 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.864 -6.642 -13.067 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.523 -6.995 -13.507 1.00 0.00 H new ATOM 978 N GLU A 67 -10.302 -3.924 -11.862 1.00 0.00 N ATOM 979 CA GLU A 67 -11.759 -3.712 -11.657 1.00 0.00 C ATOM 980 C GLU A 67 -12.403 -3.314 -13.013 1.00 0.00 C ATOM 981 O GLU A 67 -13.583 -3.597 -13.256 1.00 0.00 O ATOM 982 CB GLU A 67 -11.999 -2.671 -10.525 1.00 0.00 C ATOM 983 CG GLU A 67 -13.352 -2.756 -9.780 1.00 0.00 C ATOM 984 CD GLU A 67 -13.945 -4.167 -9.711 1.00 0.00 C ATOM 985 OE1 GLU A 67 -13.480 -4.980 -8.882 1.00 0.00 O ATOM 986 OE2 GLU A 67 -14.876 -4.471 -10.490 1.00 0.00 O ATOM 0 H GLU A 67 -9.727 -3.150 -11.530 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.242 -4.631 -11.324 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.199 -2.775 -9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.909 -1.673 -10.955 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.219 -2.380 -8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.067 -2.097 -10.273 1.00 0.00 H new ATOM 993 N ASP A 68 -11.626 -2.630 -13.876 1.00 0.00 N ATOM 994 CA ASP A 68 -12.113 -2.139 -15.195 1.00 0.00 C ATOM 995 C ASP A 68 -12.068 -3.311 -16.211 1.00 0.00 C ATOM 996 O ASP A 68 -12.932 -3.427 -17.089 1.00 0.00 O ATOM 997 CB ASP A 68 -11.316 -0.893 -15.685 1.00 0.00 C ATOM 998 CG ASP A 68 -10.177 -1.171 -16.681 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.053 -1.497 -16.241 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -10.407 -1.070 -17.907 1.00 0.00 O ATOM 0 H ASP A 68 -10.650 -2.400 -13.687 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.144 -1.800 -15.096 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.016 -0.198 -16.149 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.896 -0.389 -14.814 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.065 -4.200 -16.062 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.915 -5.393 -16.934 1.00 0.00 C ATOM 1007 C GLY A 69 -10.331 -4.984 -18.310 1.00 0.00 C ATOM 1008 O GLY A 69 -10.850 -5.384 -19.361 1.00 0.00 O ATOM 0 H GLY A 69 -10.343 -4.118 -15.346 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.260 -6.121 -16.456 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.883 -5.876 -17.071 1.00 0.00 H new ATOM 1012 N SER A 70 -9.246 -4.187 -18.284 1.00 0.00 N ATOM 1013 CA SER A 70 -8.506 -3.773 -19.505 1.00 0.00 C ATOM 1014 C SER A 70 -7.524 -4.897 -19.932 1.00 0.00 C ATOM 1015 O SER A 70 -7.297 -5.129 -21.125 1.00 0.00 O ATOM 1016 CB SER A 70 -7.785 -2.431 -19.239 1.00 0.00 C ATOM 1017 OG SER A 70 -7.023 -2.479 -18.038 1.00 0.00 O ATOM 0 H SER A 70 -8.854 -3.810 -17.421 1.00 0.00 H new ATOM 0 HA SER A 70 -9.198 -3.618 -20.332 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.130 -2.196 -20.078 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.520 -1.628 -19.174 1.00 0.00 H new ATOM 0 HG SER A 70 -7.578 -2.182 -17.287 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.967 -5.615 -18.935 1.00 0.00 N ATOM 1024 CA GLY A 71 -6.036 -6.744 -19.184 1.00 0.00 C ATOM 1025 C GLY A 71 -4.574 -6.306 -18.909 1.00 0.00 C ATOM 1026 O GLY A 71 -3.743 -7.114 -18.474 1.00 0.00 O ATOM 0 H GLY A 71 -7.144 -5.435 -17.947 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.297 -7.587 -18.544 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.133 -7.084 -20.215 1.00 0.00 H new ATOM 1030 N THR A 72 -4.281 -5.018 -19.170 1.00 0.00 N ATOM 1031 CA THR A 72 -2.936 -4.422 -18.957 1.00 0.00 C ATOM 1032 C THR A 72 -3.011 -3.448 -17.750 1.00 0.00 C ATOM 1033 O THR A 72 -4.031 -3.387 -17.049 1.00 0.00 O ATOM 1034 CB THR A 72 -2.382 -3.751 -20.255 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.446 -3.204 -21.030 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.556 -4.677 -21.168 1.00 0.00 C ATOM 0 H THR A 72 -4.966 -4.356 -19.535 1.00 0.00 H new ATOM 0 HA THR A 72 -2.218 -5.208 -18.721 1.00 0.00 H new ATOM 0 HB THR A 72 -1.707 -2.978 -19.889 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.081 -2.786 -21.838 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.217 -4.119 -22.041 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.692 -5.053 -20.619 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.174 -5.515 -21.491 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.915 -2.709 -17.494 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.815 -1.735 -16.375 1.00 0.00 C ATOM 1046 C ILE A 73 -1.234 -0.428 -16.982 1.00 0.00 C ATOM 1047 O ILE A 73 -0.018 -0.201 -16.937 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.997 -2.316 -15.160 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.716 -3.516 -14.465 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.639 -1.231 -14.109 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -3.111 -3.220 -13.890 1.00 0.00 C ATOM 0 H ILE A 73 -1.066 -2.766 -18.057 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.789 -1.520 -15.936 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.069 -2.687 -15.595 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.806 -4.328 -15.187 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.080 -3.877 -13.657 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.076 -1.686 -13.294 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.035 -0.455 -14.579 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.555 -0.790 -13.715 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.515 -4.123 -13.432 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.035 -2.434 -13.138 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.773 -2.892 -14.692 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.118 0.434 -17.520 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.717 1.732 -18.127 1.00 0.00 C ATOM 1065 C ASP A 74 -1.207 2.679 -17.005 1.00 0.00 C ATOM 1066 O ASP A 74 -1.190 2.324 -15.816 1.00 0.00 O ATOM 1067 CB ASP A 74 -2.875 2.357 -18.958 1.00 0.00 C ATOM 1068 CG ASP A 74 -3.875 1.365 -19.577 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.469 0.559 -20.443 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.065 1.385 -19.193 1.00 0.00 O ATOM 0 H ASP A 74 -3.122 0.259 -17.550 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.904 1.568 -18.834 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.426 3.044 -18.316 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.439 2.951 -19.761 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.761 3.887 -17.401 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.269 4.921 -16.450 1.00 0.00 C ATOM 1077 C PHE A 75 -1.440 5.338 -15.519 1.00 0.00 C ATOM 1078 O PHE A 75 -1.227 5.674 -14.348 1.00 0.00 O ATOM 1079 CB PHE A 75 0.326 6.135 -17.222 1.00 0.00 C ATOM 1080 CG PHE A 75 1.001 7.207 -16.341 1.00 0.00 C ATOM 1081 CD1 PHE A 75 2.206 6.925 -15.686 1.00 0.00 C ATOM 1082 CD2 PHE A 75 0.410 8.465 -16.177 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.802 7.883 -14.869 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.009 9.421 -15.360 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.203 9.129 -14.706 1.00 0.00 C ATOM 0 H PHE A 75 -0.729 4.178 -18.378 1.00 0.00 H new ATOM 0 HA PHE A 75 0.536 4.516 -15.837 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.057 5.765 -17.941 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.472 6.608 -17.794 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.675 5.961 -15.815 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.514 8.695 -16.686 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.729 7.659 -14.362 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.547 10.389 -15.234 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.665 9.870 -14.071 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.669 5.335 -16.067 1.00 0.00 N ATOM 1096 CA GLU A 76 -3.884 5.799 -15.346 1.00 0.00 C ATOM 1097 C GLU A 76 -4.173 4.843 -14.156 1.00 0.00 C ATOM 1098 O GLU A 76 -4.418 5.292 -13.030 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.096 5.931 -16.315 1.00 0.00 C ATOM 1100 CG GLU A 76 -4.796 6.094 -17.826 1.00 0.00 C ATOM 1101 CD GLU A 76 -5.799 5.392 -18.746 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -5.914 4.148 -18.680 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -6.475 6.081 -19.541 1.00 0.00 O ATOM 0 H GLU A 76 -2.855 5.014 -17.017 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.710 6.796 -14.942 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.722 5.048 -16.191 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.688 6.789 -15.996 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.780 7.156 -18.069 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.799 5.705 -18.031 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.151 3.526 -14.433 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.457 2.469 -13.431 1.00 0.00 C ATOM 1112 C GLU A 77 -3.307 2.376 -12.390 1.00 0.00 C ATOM 1113 O GLU A 77 -3.538 2.006 -11.231 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.721 1.094 -14.112 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.917 -0.114 -13.166 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.977 -1.101 -13.663 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.978 -0.658 -14.270 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.817 -2.322 -13.448 1.00 0.00 O ATOM 0 H GLU A 77 -3.921 3.157 -15.356 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.374 2.744 -12.910 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.609 1.187 -14.737 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.885 0.876 -14.777 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.967 -0.637 -13.053 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.201 0.248 -12.178 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.074 2.702 -12.818 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.869 2.653 -11.947 1.00 0.00 C ATOM 1127 C PHE A 78 -1.044 3.675 -10.792 1.00 0.00 C ATOM 1128 O PHE A 78 -0.661 3.406 -9.647 1.00 0.00 O ATOM 1129 CB PHE A 78 0.421 2.914 -12.785 1.00 0.00 C ATOM 1130 CG PHE A 78 1.744 2.828 -11.997 1.00 0.00 C ATOM 1131 CD1 PHE A 78 2.255 3.963 -11.355 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.463 1.629 -11.942 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.455 3.892 -10.651 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.665 1.562 -11.240 1.00 0.00 C ATOM 1135 CZ PHE A 78 4.160 2.693 -10.597 1.00 0.00 C ATOM 0 H PHE A 78 -1.877 3.006 -13.771 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.758 1.661 -11.510 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.456 2.194 -13.602 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.348 3.904 -13.235 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.716 4.898 -11.406 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.085 0.752 -12.446 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.838 4.767 -10.147 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.213 0.632 -11.195 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.093 2.640 -10.055 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.599 4.858 -11.118 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.749 5.978 -10.152 1.00 0.00 C ATOM 1147 C LEU A 79 -2.845 5.588 -9.123 1.00 0.00 C ATOM 1148 O LEU A 79 -2.781 5.985 -7.953 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.096 7.306 -10.891 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.010 7.910 -11.829 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.572 9.015 -12.749 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.184 8.458 -11.022 1.00 0.00 C ATOM 0 H LEU A 79 -1.956 5.070 -12.050 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.809 6.151 -9.628 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.996 7.137 -11.483 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.345 8.055 -10.139 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.666 7.093 -12.463 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.774 9.402 -13.382 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.363 8.600 -13.375 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.977 9.824 -12.141 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.925 8.873 -11.705 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.162 9.239 -10.345 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.634 7.650 -10.445 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.853 4.821 -9.579 1.00 0.00 N ATOM 1165 CA VAL A 80 -4.984 4.364 -8.727 1.00 0.00 C ATOM 1166 C VAL A 80 -4.425 3.342 -7.701 1.00 0.00 C ATOM 1167 O VAL A 80 -4.936 3.233 -6.579 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.176 3.809 -9.586 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.479 3.639 -8.767 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.505 4.657 -10.840 1.00 0.00 C ATOM 0 H VAL A 80 -3.913 4.498 -10.545 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.414 5.203 -8.181 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.813 2.835 -9.914 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.267 3.253 -9.413 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.306 2.940 -7.949 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.783 4.604 -8.362 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.339 4.205 -11.376 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.775 5.668 -10.535 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.633 4.696 -11.492 1.00 0.00 H new ATOM 1180 N MET A 81 -3.395 2.577 -8.110 1.00 0.00 N ATOM 1181 CA MET A 81 -2.749 1.545 -7.254 1.00 0.00 C ATOM 1182 C MET A 81 -2.057 2.264 -6.064 1.00 0.00 C ATOM 1183 O MET A 81 -2.313 1.943 -4.898 1.00 0.00 O ATOM 1184 CB MET A 81 -1.755 0.671 -8.071 1.00 0.00 C ATOM 1185 CG MET A 81 -2.291 -0.693 -8.544 1.00 0.00 C ATOM 1186 SD MET A 81 -1.333 -1.278 -9.960 1.00 0.00 S ATOM 1187 CE MET A 81 -2.646 -1.721 -11.116 1.00 0.00 C ATOM 0 H MET A 81 -2.983 2.651 -9.040 1.00 0.00 H new ATOM 0 HA MET A 81 -3.501 0.857 -6.868 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.437 1.238 -8.946 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.867 0.500 -7.462 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.233 -1.417 -7.731 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.342 -0.605 -8.818 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.509 -2.751 -11.444 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.613 -1.623 -10.623 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.610 -1.057 -11.980 1.00 0.00 H new ATOM 1197 N MET A 82 -1.155 3.212 -6.384 1.00 0.00 N ATOM 1198 CA MET A 82 -0.324 3.911 -5.366 1.00 0.00 C ATOM 1199 C MET A 82 -1.248 4.680 -4.382 1.00 0.00 C ATOM 1200 O MET A 82 -0.948 4.783 -3.186 1.00 0.00 O ATOM 1201 CB MET A 82 0.699 4.850 -6.066 1.00 0.00 C ATOM 1202 CG MET A 82 2.041 4.201 -6.456 1.00 0.00 C ATOM 1203 SD MET A 82 3.209 4.249 -5.076 1.00 0.00 S ATOM 1204 CE MET A 82 2.739 2.776 -4.146 1.00 0.00 C ATOM 0 H MET A 82 -0.978 3.517 -7.341 1.00 0.00 H new ATOM 0 HA MET A 82 0.248 3.185 -4.788 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.237 5.255 -6.966 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.902 5.693 -5.406 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.875 3.168 -6.760 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.465 4.722 -7.314 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.623 2.345 -3.677 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.015 3.047 -3.377 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.294 2.046 -4.822 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.365 5.218 -4.905 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.298 6.080 -4.131 1.00 0.00 C ATOM 1216 C VAL A 83 -4.031 5.174 -3.104 1.00 0.00 C ATOM 1217 O VAL A 83 -4.240 5.571 -1.951 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.266 6.887 -5.068 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.736 6.927 -4.580 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -3.798 8.343 -5.303 1.00 0.00 C ATOM 0 H VAL A 83 -2.652 5.072 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.750 6.851 -3.589 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.229 6.329 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.337 7.503 -5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.126 5.911 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.780 7.395 -3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.506 8.851 -5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.746 8.867 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.812 8.338 -5.769 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.417 3.961 -3.543 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.226 3.016 -2.728 1.00 0.00 C ATOM 1232 C ARG A 84 -4.502 2.807 -1.371 1.00 0.00 C ATOM 1233 O ARG A 84 -5.118 2.914 -0.303 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.420 1.670 -3.483 1.00 0.00 C ATOM 1235 CG ARG A 84 -6.657 1.614 -4.411 1.00 0.00 C ATOM 1236 CD ARG A 84 -6.549 0.511 -5.481 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.193 -0.751 -5.040 1.00 0.00 N ATOM 1238 CZ ARG A 84 -6.534 -1.897 -4.773 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -5.306 -1.880 -4.272 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -7.115 -3.076 -4.947 1.00 0.00 N ATOM 0 H ARG A 84 -4.181 3.603 -4.469 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.220 3.425 -2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.529 1.473 -4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.498 0.867 -2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.550 1.444 -3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.782 2.579 -4.902 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.016 0.854 -6.404 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.499 0.324 -5.705 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.207 -0.752 -4.931 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.845 -0.990 -4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.823 -2.757 -4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.075 -3.126 -5.288 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.602 -3.933 -4.740 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.198 2.479 -1.432 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.388 2.140 -0.231 1.00 0.00 C ATOM 1256 C GLN A 85 -2.203 3.431 0.613 1.00 0.00 C ATOM 1257 O GLN A 85 -2.189 3.381 1.848 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.033 1.506 -0.656 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.078 0.016 -1.077 1.00 0.00 C ATOM 1260 CD GLN A 85 0.038 -0.852 -0.470 1.00 0.00 C ATOM 1261 OE1 GLN A 85 0.818 -0.396 0.366 1.00 0.00 O ATOM 1262 NE2 GLN A 85 0.143 -2.109 -0.875 1.00 0.00 N ATOM 0 H GLN A 85 -2.673 2.440 -2.305 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.897 1.397 0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.629 2.085 -1.487 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.332 1.607 0.173 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.043 -0.401 -0.789 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.017 -0.044 -2.164 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.508 -2.478 -1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.875 -2.708 -0.494 1.00 0.00 H new ATOM 1271 N MET A 86 -2.072 4.579 -0.078 1.00 0.00 N ATOM 1272 CA MET A 86 -1.799 5.891 0.567 1.00 0.00 C ATOM 1273 C MET A 86 -2.928 6.161 1.599 1.00 0.00 C ATOM 1274 O MET A 86 -2.690 6.769 2.649 1.00 0.00 O ATOM 1275 CB MET A 86 -1.680 7.027 -0.488 1.00 0.00 C ATOM 1276 CG MET A 86 -0.303 7.711 -0.586 1.00 0.00 C ATOM 1277 SD MET A 86 -0.504 9.505 -0.645 1.00 0.00 S ATOM 1278 CE MET A 86 -1.400 9.709 -2.199 1.00 0.00 C ATOM 0 H MET A 86 -2.151 4.631 -1.094 1.00 0.00 H new ATOM 0 HA MET A 86 -0.839 5.865 1.083 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.931 6.616 -1.466 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.427 7.788 -0.261 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.311 7.434 0.271 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.220 7.366 -1.478 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.549 10.771 -2.397 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.825 9.266 -3.012 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.369 9.214 -2.128 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.157 5.724 1.266 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.358 5.936 2.117 1.00 0.00 C ATOM 1290 C LYS A 87 -5.012 5.506 3.568 1.00 0.00 C ATOM 1291 O LYS A 87 -4.220 4.580 3.780 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.584 5.130 1.605 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.391 5.796 0.466 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.924 5.662 0.585 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.613 6.781 1.393 1.00 0.00 C ATOM 1296 NZ LYS A 87 -10.205 7.798 0.507 1.00 0.00 N ATOM 0 H LYS A 87 -4.352 5.215 0.404 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.630 6.991 2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.238 4.156 1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.255 4.950 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.136 6.855 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.076 5.362 -0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.351 5.642 -0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.155 4.703 1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.390 6.350 2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.888 7.252 2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.660 8.536 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.459 8.225 -0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.914 7.352 -0.109 1.00 0.00 H new