USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=8 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= -4.81! C(o=-4.8!,f=-3.4!) USER MOD Single : A 7 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.6!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 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 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.188 USER MOD Single : A 39 THR OG1 : rot 62:sc= 0.0398 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=-0.2) USER MOD Single : A 52 ASN : amide:sc= -0.0128 K(o=-0.013,f=-1.2) 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 -89:sc= 0.175 USER MOD Single : A 72 THR OG1 : rot 96:sc= 0.283 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 86 MET CE :methyl -172:sc= -4.35 (180deg=-4.79!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -15.735 6.740 -9.736 1.00 0.00 N ATOM 56 CA ASP A 5 -15.169 7.725 -8.778 1.00 0.00 C ATOM 57 C ASP A 5 -14.080 7.052 -7.898 1.00 0.00 C ATOM 58 O ASP A 5 -13.836 7.500 -6.766 1.00 0.00 O ATOM 59 CB ASP A 5 -16.291 8.376 -7.910 1.00 0.00 C ATOM 60 CG ASP A 5 -16.925 7.472 -6.840 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.857 6.230 -6.977 1.00 0.00 O ATOM 62 OD2 ASP A 5 -17.490 8.002 -5.858 1.00 0.00 O ATOM 0 HA ASP A 5 -14.697 8.528 -9.344 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.877 9.255 -7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -17.080 8.727 -8.575 1.00 0.00 H new ATOM 67 N GLN A 6 -13.455 5.971 -8.398 1.00 0.00 N ATOM 68 CA GLN A 6 -12.469 5.164 -7.631 1.00 0.00 C ATOM 69 C GLN A 6 -11.068 5.811 -7.805 1.00 0.00 C ATOM 70 O GLN A 6 -10.247 5.796 -6.879 1.00 0.00 O ATOM 71 CB GLN A 6 -12.506 3.682 -8.099 1.00 0.00 C ATOM 72 CG GLN A 6 -11.418 3.247 -9.110 1.00 0.00 C ATOM 73 CD GLN A 6 -10.362 2.285 -8.537 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.687 1.315 -7.852 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.087 2.525 -8.803 1.00 0.00 N ATOM 0 H GLN A 6 -13.614 5.626 -9.345 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.715 5.157 -6.569 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.427 3.045 -7.218 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.482 3.490 -8.545 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.902 2.769 -9.962 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.914 4.137 -9.487 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.828 3.331 -9.371 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.364 1.904 -8.439 1.00 0.00 H new ATOM 84 N GLN A 7 -10.812 6.375 -9.000 1.00 0.00 N ATOM 85 CA GLN A 7 -9.486 6.939 -9.368 1.00 0.00 C ATOM 86 C GLN A 7 -9.516 8.472 -9.123 1.00 0.00 C ATOM 87 O GLN A 7 -8.500 9.073 -8.753 1.00 0.00 O ATOM 88 CB GLN A 7 -9.138 6.649 -10.856 1.00 0.00 C ATOM 89 CG GLN A 7 -10.331 6.616 -11.839 1.00 0.00 C ATOM 90 CD GLN A 7 -10.490 7.931 -12.620 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.521 8.653 -12.858 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.701 8.270 -13.037 1.00 0.00 N ATOM 0 H GLN A 7 -11.510 6.456 -9.739 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.719 6.469 -8.753 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.433 7.407 -11.197 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.624 5.689 -10.908 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.195 5.794 -12.542 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.248 6.413 -11.285 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.498 7.666 -12.835 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.837 9.135 -13.560 1.00 0.00 H new ATOM 101 N ALA A 8 -10.693 9.092 -9.335 1.00 0.00 N ATOM 102 CA ALA A 8 -10.885 10.555 -9.146 1.00 0.00 C ATOM 103 C ALA A 8 -10.400 10.978 -7.732 1.00 0.00 C ATOM 104 O ALA A 8 -9.931 12.105 -7.538 1.00 0.00 O ATOM 105 CB ALA A 8 -12.369 10.901 -9.373 1.00 0.00 C ATOM 0 H ALA A 8 -11.535 8.603 -9.640 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.290 11.110 -9.871 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.518 11.972 -9.236 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.657 10.621 -10.386 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.984 10.355 -8.657 1.00 0.00 H new ATOM 111 N GLU A 9 -10.546 10.066 -6.754 1.00 0.00 N ATOM 112 CA GLU A 9 -10.222 10.336 -5.328 1.00 0.00 C ATOM 113 C GLU A 9 -8.687 10.512 -5.176 1.00 0.00 C ATOM 114 O GLU A 9 -8.220 11.455 -4.525 1.00 0.00 O ATOM 115 CB GLU A 9 -10.769 9.220 -4.390 1.00 0.00 C ATOM 116 CG GLU A 9 -12.163 8.650 -4.739 1.00 0.00 C ATOM 117 CD GLU A 9 -13.033 8.390 -3.507 1.00 0.00 C ATOM 118 OE1 GLU A 9 -13.481 9.366 -2.865 1.00 0.00 O ATOM 119 OE2 GLU A 9 -13.276 7.209 -3.175 1.00 0.00 O ATOM 0 H GLU A 9 -10.891 9.121 -6.922 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.715 11.259 -5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.055 8.397 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.806 9.615 -3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.679 9.347 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.040 7.719 -5.292 1.00 0.00 H new ATOM 126 N ALA A 10 -7.916 9.576 -5.761 1.00 0.00 N ATOM 127 CA ALA A 10 -6.437 9.537 -5.617 1.00 0.00 C ATOM 128 C ALA A 10 -5.800 10.769 -6.318 1.00 0.00 C ATOM 129 O ALA A 10 -4.777 11.294 -5.865 1.00 0.00 O ATOM 130 CB ALA A 10 -5.908 8.210 -6.195 1.00 0.00 C ATOM 0 H ALA A 10 -8.291 8.828 -6.344 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.161 9.585 -4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.823 8.175 -6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.351 7.375 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.175 8.140 -7.249 1.00 0.00 H new ATOM 136 N ARG A 11 -6.414 11.198 -7.436 1.00 0.00 N ATOM 137 CA ARG A 11 -5.884 12.290 -8.294 1.00 0.00 C ATOM 138 C ARG A 11 -6.032 13.627 -7.517 1.00 0.00 C ATOM 139 O ARG A 11 -5.154 14.495 -7.581 1.00 0.00 O ATOM 140 CB ARG A 11 -6.638 12.337 -9.653 1.00 0.00 C ATOM 141 CG ARG A 11 -6.749 10.980 -10.387 1.00 0.00 C ATOM 142 CD ARG A 11 -5.861 10.909 -11.643 1.00 0.00 C ATOM 143 NE ARG A 11 -5.785 12.217 -12.340 1.00 0.00 N ATOM 144 CZ ARG A 11 -4.880 12.528 -13.291 1.00 0.00 C ATOM 145 NH1 ARG A 11 -3.670 11.987 -13.286 1.00 0.00 N ATOM 146 NH2 ARG A 11 -5.157 13.420 -14.232 1.00 0.00 N ATOM 0 H ARG A 11 -7.291 10.802 -7.775 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.833 12.115 -8.522 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.643 12.723 -9.481 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.132 13.047 -10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.469 10.178 -9.704 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.787 10.809 -10.671 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.858 10.589 -11.361 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.256 10.156 -12.325 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.465 12.932 -12.082 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.411 11.324 -12.555 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.998 12.233 -14.013 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.066 13.883 -14.244 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.461 13.643 -14.944 1.00 0.00 H new ATOM 160 N ALA A 12 -7.169 13.783 -6.812 1.00 0.00 N ATOM 161 CA ALA A 12 -7.453 14.989 -5.988 1.00 0.00 C ATOM 162 C ALA A 12 -6.506 15.027 -4.757 1.00 0.00 C ATOM 163 O ALA A 12 -6.192 16.106 -4.238 1.00 0.00 O ATOM 164 CB ALA A 12 -8.937 14.982 -5.571 1.00 0.00 C ATOM 0 H ALA A 12 -7.915 13.087 -6.793 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.268 15.892 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.149 15.864 -4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.565 14.992 -6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.147 14.085 -4.989 1.00 0.00 H new ATOM 170 N PHE A 13 -6.085 13.839 -4.284 1.00 0.00 N ATOM 171 CA PHE A 13 -5.203 13.707 -3.094 1.00 0.00 C ATOM 172 C PHE A 13 -3.818 14.340 -3.401 1.00 0.00 C ATOM 173 O PHE A 13 -3.305 15.145 -2.615 1.00 0.00 O ATOM 174 CB PHE A 13 -5.117 12.207 -2.689 1.00 0.00 C ATOM 175 CG PHE A 13 -4.735 11.948 -1.218 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.834 12.793 -0.560 1.00 0.00 C ATOM 177 CD2 PHE A 13 -5.290 10.866 -0.524 1.00 0.00 C ATOM 178 CE1 PHE A 13 -3.492 12.558 0.770 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.948 10.633 0.805 1.00 0.00 C ATOM 180 CZ PHE A 13 -4.049 11.478 1.451 1.00 0.00 C ATOM 0 H PHE A 13 -6.340 12.947 -4.707 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.612 14.248 -2.241 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.081 11.738 -2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.386 11.715 -3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.402 13.631 -1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.987 10.209 -1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.796 13.213 1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.380 9.797 1.335 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.783 11.296 2.482 1.00 0.00 H new ATOM 190 N LEU A 14 -3.219 13.936 -4.537 1.00 0.00 N ATOM 191 CA LEU A 14 -1.885 14.425 -4.974 1.00 0.00 C ATOM 192 C LEU A 14 -2.034 15.013 -6.404 1.00 0.00 C ATOM 193 O LEU A 14 -2.473 14.320 -7.329 1.00 0.00 O ATOM 194 CB LEU A 14 -0.828 13.280 -4.926 1.00 0.00 C ATOM 195 CG LEU A 14 -1.350 11.816 -5.010 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.603 11.361 -6.462 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.382 10.838 -4.315 1.00 0.00 C ATOM 0 H LEU A 14 -3.639 13.264 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.527 15.202 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.127 13.435 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.263 13.383 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.307 11.803 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.966 10.333 -6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.349 12.010 -6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.674 11.418 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.774 9.824 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.594 10.887 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.281 11.111 -3.265 1.00 0.00 H new ATOM 209 N SER A 15 -1.633 16.287 -6.569 1.00 0.00 N ATOM 210 CA SER A 15 -1.700 16.999 -7.872 1.00 0.00 C ATOM 211 C SER A 15 -0.529 16.541 -8.783 1.00 0.00 C ATOM 212 O SER A 15 0.006 15.438 -8.618 1.00 0.00 O ATOM 213 CB SER A 15 -1.691 18.526 -7.626 1.00 0.00 C ATOM 214 OG SER A 15 -2.830 19.153 -8.207 1.00 0.00 O ATOM 0 H SER A 15 -1.254 16.855 -5.811 1.00 0.00 H new ATOM 0 HA SER A 15 -2.627 16.753 -8.389 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.673 18.723 -6.554 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.782 18.958 -8.045 1.00 0.00 H new ATOM 0 HG SER A 15 -2.797 20.117 -8.033 1.00 0.00 H new ATOM 220 N GLU A 16 -0.165 17.391 -9.761 1.00 0.00 N ATOM 221 CA GLU A 16 0.912 17.090 -10.743 1.00 0.00 C ATOM 222 C GLU A 16 2.288 17.322 -10.060 1.00 0.00 C ATOM 223 O GLU A 16 3.262 16.625 -10.369 1.00 0.00 O ATOM 224 CB GLU A 16 0.710 17.928 -12.037 1.00 0.00 C ATOM 225 CG GLU A 16 1.867 17.900 -13.065 1.00 0.00 C ATOM 226 CD GLU A 16 2.840 19.078 -12.948 1.00 0.00 C ATOM 227 OE1 GLU A 16 3.040 19.588 -11.823 1.00 0.00 O ATOM 228 OE2 GLU A 16 3.411 19.496 -13.979 1.00 0.00 O ATOM 0 H GLU A 16 -0.602 18.302 -9.899 1.00 0.00 H new ATOM 0 HA GLU A 16 0.874 16.047 -11.056 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.195 17.578 -12.533 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.535 18.964 -11.749 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.423 16.970 -12.944 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.445 17.890 -14.070 1.00 0.00 H new ATOM 235 N GLU A 17 2.348 18.327 -9.159 1.00 0.00 N ATOM 236 CA GLU A 17 3.624 18.736 -8.506 1.00 0.00 C ATOM 237 C GLU A 17 4.160 17.522 -7.696 1.00 0.00 C ATOM 238 O GLU A 17 5.361 17.229 -7.719 1.00 0.00 O ATOM 239 CB GLU A 17 3.441 20.018 -7.643 1.00 0.00 C ATOM 240 CG GLU A 17 2.033 20.254 -7.048 1.00 0.00 C ATOM 241 CD GLU A 17 1.139 21.167 -7.893 1.00 0.00 C ATOM 242 OE1 GLU A 17 1.529 21.511 -9.031 1.00 0.00 O ATOM 243 OE2 GLU A 17 0.040 21.541 -7.425 1.00 0.00 O ATOM 0 H GLU A 17 1.537 18.871 -8.865 1.00 0.00 H new ATOM 0 HA GLU A 17 4.365 19.009 -9.257 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.157 19.981 -6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.702 20.881 -8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.537 19.291 -6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.139 20.687 -6.054 1.00 0.00 H new ATOM 250 N MET A 18 3.256 16.846 -6.964 1.00 0.00 N ATOM 251 CA MET A 18 3.615 15.730 -6.049 1.00 0.00 C ATOM 252 C MET A 18 3.819 14.450 -6.905 1.00 0.00 C ATOM 253 O MET A 18 4.657 13.600 -6.579 1.00 0.00 O ATOM 254 CB MET A 18 2.537 15.532 -4.945 1.00 0.00 C ATOM 255 CG MET A 18 2.633 16.474 -3.731 1.00 0.00 C ATOM 256 SD MET A 18 3.730 15.765 -2.482 1.00 0.00 S ATOM 257 CE MET A 18 4.605 17.235 -1.905 1.00 0.00 C ATOM 0 H MET A 18 2.257 17.052 -6.985 1.00 0.00 H new ATOM 0 HA MET A 18 4.541 15.962 -5.522 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.554 15.656 -5.399 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.596 14.504 -4.588 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.008 17.448 -4.045 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.642 16.636 -3.307 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.318 16.953 -1.130 1.00 0.00 H new ATOM 0 HE2 MET A 18 5.137 17.692 -2.739 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.889 17.948 -1.497 1.00 0.00 H new ATOM 267 N ILE A 19 3.023 14.313 -7.982 1.00 0.00 N ATOM 268 CA ILE A 19 3.003 13.100 -8.841 1.00 0.00 C ATOM 269 C ILE A 19 4.379 13.015 -9.557 1.00 0.00 C ATOM 270 O ILE A 19 4.812 11.913 -9.928 1.00 0.00 O ATOM 271 CB ILE A 19 1.759 13.089 -9.810 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.467 12.539 -9.126 1.00 0.00 C ATOM 273 CG2 ILE A 19 2.036 12.312 -11.125 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.865 13.019 -9.726 1.00 0.00 C ATOM 0 H ILE A 19 2.373 15.037 -8.287 1.00 0.00 H new ATOM 0 HA ILE A 19 2.871 12.197 -8.245 1.00 0.00 H new ATOM 0 HB ILE A 19 1.586 14.135 -10.064 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.491 11.450 -9.169 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.490 12.817 -8.072 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.147 12.336 -11.756 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.868 12.776 -11.654 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.287 11.278 -10.890 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.694 12.575 -9.174 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.924 14.105 -9.658 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.923 12.717 -10.772 1.00 0.00 H new ATOM 286 N ALA A 20 5.044 14.162 -9.781 1.00 0.00 N ATOM 287 CA ALA A 20 6.307 14.236 -10.568 1.00 0.00 C ATOM 288 C ALA A 20 7.401 13.316 -9.960 1.00 0.00 C ATOM 289 O ALA A 20 8.064 12.562 -10.688 1.00 0.00 O ATOM 290 CB ALA A 20 6.770 15.706 -10.628 1.00 0.00 C ATOM 0 H ALA A 20 4.730 15.066 -9.427 1.00 0.00 H new ATOM 0 HA ALA A 20 6.127 13.878 -11.582 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.694 15.773 -11.202 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.000 16.311 -11.108 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.943 16.075 -9.617 1.00 0.00 H new ATOM 296 N GLU A 21 7.606 13.415 -8.634 1.00 0.00 N ATOM 297 CA GLU A 21 8.648 12.633 -7.915 1.00 0.00 C ATOM 298 C GLU A 21 8.280 11.126 -8.002 1.00 0.00 C ATOM 299 O GLU A 21 9.164 10.260 -8.009 1.00 0.00 O ATOM 300 CB GLU A 21 8.808 13.155 -6.458 1.00 0.00 C ATOM 301 CG GLU A 21 7.511 13.544 -5.710 1.00 0.00 C ATOM 302 CD GLU A 21 7.672 13.645 -4.189 1.00 0.00 C ATOM 303 OE1 GLU A 21 8.799 13.910 -3.716 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.672 13.455 -3.461 1.00 0.00 O ATOM 0 H GLU A 21 7.064 14.031 -8.029 1.00 0.00 H new ATOM 0 HA GLU A 21 9.625 12.761 -8.380 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.318 12.387 -5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.462 14.027 -6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.158 14.502 -6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.740 12.807 -5.935 1.00 0.00 H new ATOM 311 N PHE A 22 6.968 10.828 -8.036 1.00 0.00 N ATOM 312 CA PHE A 22 6.442 9.439 -8.060 1.00 0.00 C ATOM 313 C PHE A 22 6.393 8.912 -9.521 1.00 0.00 C ATOM 314 O PHE A 22 6.228 7.698 -9.726 1.00 0.00 O ATOM 315 CB PHE A 22 5.039 9.385 -7.377 1.00 0.00 C ATOM 316 CG PHE A 22 4.147 8.194 -7.780 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.342 6.933 -7.204 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.114 8.369 -8.709 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.483 5.880 -7.510 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.260 7.313 -9.018 1.00 0.00 C ATOM 321 CZ PHE A 22 2.427 6.078 -8.397 1.00 0.00 C ATOM 0 H PHE A 22 6.237 11.540 -8.048 1.00 0.00 H new ATOM 0 HA PHE A 22 7.110 8.788 -7.496 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.182 9.360 -6.297 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.507 10.308 -7.607 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.162 6.776 -6.519 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.979 9.327 -9.188 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.636 4.910 -7.060 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.468 7.452 -9.739 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.737 5.273 -8.603 1.00 0.00 H new ATOM 331 N LYS A 23 6.526 9.802 -10.520 1.00 0.00 N ATOM 332 CA LYS A 23 6.380 9.454 -11.959 1.00 0.00 C ATOM 333 C LYS A 23 7.639 8.660 -12.398 1.00 0.00 C ATOM 334 O LYS A 23 7.546 7.722 -13.201 1.00 0.00 O ATOM 335 CB LYS A 23 6.190 10.729 -12.834 1.00 0.00 C ATOM 336 CG LYS A 23 4.761 11.024 -13.349 1.00 0.00 C ATOM 337 CD LYS A 23 4.434 12.520 -13.537 1.00 0.00 C ATOM 338 CE LYS A 23 4.213 12.901 -15.012 1.00 0.00 C ATOM 339 NZ LYS A 23 3.938 14.341 -15.163 1.00 0.00 N ATOM 0 H LYS A 23 6.738 10.787 -10.360 1.00 0.00 H new ATOM 0 HA LYS A 23 5.489 8.842 -12.098 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.525 11.590 -12.255 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.851 10.648 -13.697 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.622 10.514 -14.302 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.043 10.595 -12.650 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.540 12.767 -12.965 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.248 13.119 -13.130 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.096 12.635 -15.594 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.380 12.326 -15.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.794 14.563 -16.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.082 14.589 -14.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.744 14.888 -14.799 1.00 0.00 H new ATOM 353 N ALA A 24 8.815 9.066 -11.885 1.00 0.00 N ATOM 354 CA ALA A 24 10.122 8.484 -12.290 1.00 0.00 C ATOM 355 C ALA A 24 10.124 6.951 -12.041 1.00 0.00 C ATOM 356 O ALA A 24 10.547 6.170 -12.901 1.00 0.00 O ATOM 357 CB ALA A 24 11.251 9.193 -11.517 1.00 0.00 C ATOM 0 H ALA A 24 8.894 9.801 -11.182 1.00 0.00 H new ATOM 0 HA ALA A 24 10.288 8.639 -13.356 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.213 8.771 -11.809 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.237 10.258 -11.748 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.103 9.052 -10.446 1.00 0.00 H new ATOM 363 N ALA A 25 9.673 6.542 -10.840 1.00 0.00 N ATOM 364 CA ALA A 25 9.710 5.122 -10.398 1.00 0.00 C ATOM 365 C ALA A 25 8.746 4.255 -11.254 1.00 0.00 C ATOM 366 O ALA A 25 8.955 3.042 -11.389 1.00 0.00 O ATOM 367 CB ALA A 25 9.358 5.057 -8.898 1.00 0.00 C ATOM 0 H ALA A 25 9.274 7.176 -10.148 1.00 0.00 H new ATOM 0 HA ALA A 25 10.711 4.716 -10.541 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.382 4.020 -8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.083 5.639 -8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.360 5.466 -8.740 1.00 0.00 H new ATOM 373 N PHE A 26 7.683 4.885 -11.795 1.00 0.00 N ATOM 374 CA PHE A 26 6.619 4.162 -12.546 1.00 0.00 C ATOM 375 C PHE A 26 7.295 3.393 -13.715 1.00 0.00 C ATOM 376 O PHE A 26 6.931 2.249 -14.011 1.00 0.00 O ATOM 377 CB PHE A 26 5.508 5.130 -13.051 1.00 0.00 C ATOM 378 CG PHE A 26 4.527 4.513 -14.077 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.654 3.489 -13.692 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.488 4.990 -15.392 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.734 2.973 -14.602 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.572 4.467 -16.302 1.00 0.00 C ATOM 383 CZ PHE A 26 2.691 3.464 -15.904 1.00 0.00 C ATOM 0 H PHE A 26 7.533 5.892 -11.730 1.00 0.00 H new ATOM 0 HA PHE A 26 6.116 3.456 -11.886 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.938 5.486 -12.193 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.982 6.002 -13.502 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.694 3.098 -12.686 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.171 5.767 -15.703 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.054 2.192 -14.297 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.545 4.839 -17.316 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.973 3.067 -16.607 1.00 0.00 H new ATOM 393 N ASP A 27 8.258 4.050 -14.388 1.00 0.00 N ATOM 394 CA ASP A 27 8.959 3.478 -15.568 1.00 0.00 C ATOM 395 C ASP A 27 9.800 2.255 -15.106 1.00 0.00 C ATOM 396 O ASP A 27 9.986 1.298 -15.868 1.00 0.00 O ATOM 397 CB ASP A 27 9.815 4.549 -16.304 1.00 0.00 C ATOM 398 CG ASP A 27 10.986 5.152 -15.509 1.00 0.00 C ATOM 399 OD1 ASP A 27 11.735 4.390 -14.859 1.00 0.00 O ATOM 400 OD2 ASP A 27 11.163 6.390 -15.540 1.00 0.00 O ATOM 0 H ASP A 27 8.575 4.986 -14.137 1.00 0.00 H new ATOM 0 HA ASP A 27 8.225 3.139 -16.299 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.214 4.101 -17.214 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.156 5.361 -16.611 1.00 0.00 H new ATOM 405 N MET A 28 10.325 2.319 -13.866 1.00 0.00 N ATOM 406 CA MET A 28 11.211 1.261 -13.307 1.00 0.00 C ATOM 407 C MET A 28 10.441 -0.086 -13.364 1.00 0.00 C ATOM 408 O MET A 28 11.002 -1.118 -13.751 1.00 0.00 O ATOM 409 CB MET A 28 11.688 1.600 -11.865 1.00 0.00 C ATOM 410 CG MET A 28 13.067 1.044 -11.465 1.00 0.00 C ATOM 411 SD MET A 28 14.377 2.001 -12.261 1.00 0.00 S ATOM 412 CE MET A 28 14.671 3.288 -11.029 1.00 0.00 C ATOM 0 H MET A 28 10.154 3.093 -13.225 1.00 0.00 H new ATOM 0 HA MET A 28 12.121 1.190 -13.903 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.709 2.684 -11.756 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.947 1.223 -11.160 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.184 1.084 -10.382 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.144 -0.004 -11.756 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.456 3.957 -11.382 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.755 3.856 -10.871 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.980 2.829 -10.090 1.00 0.00 H new ATOM 422 N PHE A 29 9.161 -0.064 -12.945 1.00 0.00 N ATOM 423 CA PHE A 29 8.326 -1.290 -12.829 1.00 0.00 C ATOM 424 C PHE A 29 7.982 -1.792 -14.258 1.00 0.00 C ATOM 425 O PHE A 29 7.905 -3.004 -14.498 1.00 0.00 O ATOM 426 CB PHE A 29 7.049 -1.012 -11.982 1.00 0.00 C ATOM 427 CG PHE A 29 7.307 -0.637 -10.509 1.00 0.00 C ATOM 428 CD1 PHE A 29 8.145 0.437 -10.187 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.716 -1.377 -9.478 1.00 0.00 C ATOM 430 CE1 PHE A 29 8.373 0.776 -8.855 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.946 -1.036 -8.147 1.00 0.00 C ATOM 432 CZ PHE A 29 7.770 0.043 -7.837 1.00 0.00 C ATOM 0 H PHE A 29 8.674 0.792 -12.678 1.00 0.00 H new ATOM 0 HA PHE A 29 8.878 -2.071 -12.307 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.489 -0.204 -12.453 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.415 -1.898 -12.009 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.617 1.005 -10.975 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.079 -2.216 -9.716 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.018 1.608 -8.612 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.485 -1.608 -7.356 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.941 0.311 -6.805 1.00 0.00 H new ATOM 442 N ASP A 30 7.762 -0.847 -15.190 1.00 0.00 N ATOM 443 CA ASP A 30 7.338 -1.162 -16.581 1.00 0.00 C ATOM 444 C ASP A 30 8.462 -1.983 -17.269 1.00 0.00 C ATOM 445 O ASP A 30 8.326 -3.196 -17.469 1.00 0.00 O ATOM 446 CB ASP A 30 6.962 0.125 -17.372 1.00 0.00 C ATOM 447 CG ASP A 30 5.913 -0.048 -18.484 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.110 -0.904 -19.375 1.00 0.00 O ATOM 449 OD2 ASP A 30 4.895 0.678 -18.472 1.00 0.00 O ATOM 0 H ASP A 30 7.870 0.151 -15.010 1.00 0.00 H new ATOM 0 HA ASP A 30 6.430 -1.765 -16.562 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.593 0.867 -16.664 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.870 0.532 -17.817 1.00 0.00 H new ATOM 454 N ALA A 31 9.568 -1.303 -17.624 1.00 0.00 N ATOM 455 CA ALA A 31 10.737 -1.941 -18.290 1.00 0.00 C ATOM 456 C ALA A 31 10.360 -2.419 -19.721 1.00 0.00 C ATOM 457 O ALA A 31 10.961 -3.362 -20.247 1.00 0.00 O ATOM 458 CB ALA A 31 11.236 -3.106 -17.413 1.00 0.00 C ATOM 0 H ALA A 31 9.684 -0.303 -17.462 1.00 0.00 H new ATOM 0 HA ALA A 31 11.542 -1.215 -18.400 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.093 -3.581 -17.892 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.532 -2.725 -16.436 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.437 -3.837 -17.291 1.00 0.00 H new ATOM 464 N ASP A 32 9.343 -1.772 -20.318 1.00 0.00 N ATOM 465 CA ASP A 32 8.843 -2.106 -21.678 1.00 0.00 C ATOM 466 C ASP A 32 8.899 -0.828 -22.558 1.00 0.00 C ATOM 467 O ASP A 32 9.491 -0.833 -23.644 1.00 0.00 O ATOM 468 CB ASP A 32 7.422 -2.738 -21.628 1.00 0.00 C ATOM 469 CG ASP A 32 6.389 -2.161 -22.611 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.510 -2.411 -23.831 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.459 -1.452 -22.167 1.00 0.00 O ATOM 0 H ASP A 32 8.840 -1.002 -19.877 1.00 0.00 H new ATOM 0 HA ASP A 32 9.483 -2.865 -22.128 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.515 -3.807 -21.817 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.032 -2.626 -20.616 1.00 0.00 H new ATOM 476 N GLY A 33 8.296 0.269 -22.062 1.00 0.00 N ATOM 477 CA GLY A 33 8.281 1.574 -22.775 1.00 0.00 C ATOM 478 C GLY A 33 7.000 1.742 -23.634 1.00 0.00 C ATOM 479 O GLY A 33 7.065 1.842 -24.865 1.00 0.00 O ATOM 0 H GLY A 33 7.809 0.284 -21.166 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.343 2.386 -22.050 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.161 1.650 -23.414 1.00 0.00 H new ATOM 483 N GLY A 34 5.833 1.800 -22.961 1.00 0.00 N ATOM 484 CA GLY A 34 4.533 2.059 -23.629 1.00 0.00 C ATOM 485 C GLY A 34 3.709 3.092 -22.820 1.00 0.00 C ATOM 486 O GLY A 34 3.887 4.307 -22.965 1.00 0.00 O ATOM 0 H GLY A 34 5.760 1.671 -21.952 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.703 2.431 -24.639 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.972 1.129 -23.722 1.00 0.00 H new ATOM 490 N GLY A 35 2.822 2.587 -21.939 1.00 0.00 N ATOM 491 CA GLY A 35 2.035 3.438 -21.013 1.00 0.00 C ATOM 492 C GLY A 35 1.101 2.557 -20.142 1.00 0.00 C ATOM 493 O GLY A 35 -0.085 2.868 -19.972 1.00 0.00 O ATOM 0 H GLY A 35 2.630 1.590 -21.847 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.707 4.011 -20.374 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.444 4.157 -21.581 1.00 0.00 H new ATOM 497 N ASP A 36 1.650 1.443 -19.622 1.00 0.00 N ATOM 498 CA ASP A 36 0.924 0.522 -18.709 1.00 0.00 C ATOM 499 C ASP A 36 1.835 -0.699 -18.404 1.00 0.00 C ATOM 500 O ASP A 36 2.509 -1.220 -19.302 1.00 0.00 O ATOM 501 CB ASP A 36 -0.459 0.107 -19.291 1.00 0.00 C ATOM 502 CG ASP A 36 -0.599 0.186 -20.821 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.366 -0.160 -21.537 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.674 0.601 -21.309 1.00 0.00 O ATOM 0 H ASP A 36 2.607 1.151 -19.819 1.00 0.00 H new ATOM 0 HA ASP A 36 0.703 1.034 -17.772 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.670 -0.916 -18.979 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.224 0.741 -18.843 1.00 0.00 H new ATOM 509 N ILE A 37 1.864 -1.122 -17.126 1.00 0.00 N ATOM 510 CA ILE A 37 2.632 -2.313 -16.671 1.00 0.00 C ATOM 511 C ILE A 37 1.713 -3.564 -16.727 1.00 0.00 C ATOM 512 O ILE A 37 0.517 -3.460 -17.030 1.00 0.00 O ATOM 513 CB ILE A 37 3.323 -2.129 -15.268 1.00 0.00 C ATOM 514 CG1 ILE A 37 3.553 -0.650 -14.824 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.626 -2.963 -15.175 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.502 -0.389 -13.310 1.00 0.00 C ATOM 0 H ILE A 37 1.358 -0.653 -16.375 1.00 0.00 H new ATOM 0 HA ILE A 37 3.467 -2.452 -17.357 1.00 0.00 H new ATOM 0 HB ILE A 37 2.600 -2.514 -14.549 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.525 -0.326 -15.197 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.802 -0.025 -15.307 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.082 -2.817 -14.196 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.393 -4.019 -15.313 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.321 -2.640 -15.951 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.675 0.670 -13.117 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.523 -0.673 -12.925 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.272 -0.979 -12.813 1.00 0.00 H new ATOM 528 N SER A 38 2.285 -4.747 -16.433 1.00 0.00 N ATOM 529 CA SER A 38 1.551 -6.041 -16.491 1.00 0.00 C ATOM 530 C SER A 38 1.930 -6.912 -15.262 1.00 0.00 C ATOM 531 O SER A 38 2.532 -6.421 -14.301 1.00 0.00 O ATOM 532 CB SER A 38 1.859 -6.745 -17.832 1.00 0.00 C ATOM 533 OG SER A 38 2.952 -7.649 -17.706 1.00 0.00 O ATOM 0 H SER A 38 3.260 -4.841 -16.150 1.00 0.00 H new ATOM 0 HA SER A 38 0.475 -5.872 -16.448 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.976 -7.285 -18.172 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.088 -5.998 -18.592 1.00 0.00 H new ATOM 0 HG SER A 38 3.121 -8.080 -18.570 1.00 0.00 H new ATOM 539 N THR A 39 1.565 -8.207 -15.318 1.00 0.00 N ATOM 540 CA THR A 39 1.842 -9.185 -14.233 1.00 0.00 C ATOM 541 C THR A 39 3.274 -9.755 -14.427 1.00 0.00 C ATOM 542 O THR A 39 4.052 -9.843 -13.468 1.00 0.00 O ATOM 543 CB THR A 39 0.755 -10.304 -14.159 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.010 -10.342 -15.362 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.225 -10.191 -12.976 1.00 0.00 C ATOM 0 H THR A 39 1.070 -8.611 -16.113 1.00 0.00 H new ATOM 0 HA THR A 39 1.795 -8.677 -13.270 1.00 0.00 H new ATOM 0 HB THR A 39 1.327 -11.220 -14.011 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.578 -10.555 -16.117 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.939 -11.014 -13.015 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.329 -10.236 -12.039 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.760 -9.243 -13.036 1.00 0.00 H new ATOM 553 N LYS A 40 3.607 -10.141 -15.672 1.00 0.00 N ATOM 554 CA LYS A 40 4.939 -10.711 -16.015 1.00 0.00 C ATOM 555 C LYS A 40 6.036 -9.684 -15.623 1.00 0.00 C ATOM 556 O LYS A 40 6.933 -9.989 -14.828 1.00 0.00 O ATOM 557 CB LYS A 40 4.956 -11.104 -17.521 1.00 0.00 C ATOM 558 CG LYS A 40 6.165 -11.940 -18.009 1.00 0.00 C ATOM 559 CD LYS A 40 6.373 -12.137 -19.530 1.00 0.00 C ATOM 560 CE LYS A 40 5.843 -13.453 -20.139 1.00 0.00 C ATOM 561 NZ LYS A 40 6.815 -14.138 -21.011 1.00 0.00 N ATOM 0 H LYS A 40 2.973 -10.071 -16.468 1.00 0.00 H new ATOM 0 HA LYS A 40 5.144 -11.624 -15.456 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.046 -11.664 -17.737 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.915 -10.189 -18.112 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.068 -11.478 -17.610 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.086 -12.928 -17.556 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.896 -11.306 -20.049 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.441 -12.072 -19.738 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.555 -14.126 -19.332 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.941 -13.240 -20.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.392 -15.012 -21.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.072 -13.513 -21.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.668 -14.373 -20.463 1.00 0.00 H new ATOM 575 N GLU A 41 5.963 -8.478 -16.217 1.00 0.00 N ATOM 576 CA GLU A 41 6.994 -7.421 -16.043 1.00 0.00 C ATOM 577 C GLU A 41 7.129 -7.082 -14.534 1.00 0.00 C ATOM 578 O GLU A 41 8.241 -7.045 -13.992 1.00 0.00 O ATOM 579 CB GLU A 41 6.667 -6.171 -16.911 1.00 0.00 C ATOM 580 CG GLU A 41 6.002 -6.405 -18.290 1.00 0.00 C ATOM 581 CD GLU A 41 5.237 -5.194 -18.834 1.00 0.00 C ATOM 582 OE1 GLU A 41 4.573 -4.491 -18.040 1.00 0.00 O ATOM 583 OE2 GLU A 41 5.294 -4.942 -20.058 1.00 0.00 O ATOM 0 H GLU A 41 5.195 -8.204 -16.829 1.00 0.00 H new ATOM 0 HA GLU A 41 7.959 -7.788 -16.394 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.013 -5.521 -16.330 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.596 -5.625 -17.075 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.772 -6.687 -19.009 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.316 -7.248 -18.211 1.00 0.00 H new ATOM 590 N LEU A 42 5.986 -6.808 -13.878 1.00 0.00 N ATOM 591 CA LEU A 42 5.948 -6.355 -12.462 1.00 0.00 C ATOM 592 C LEU A 42 6.752 -7.372 -11.606 1.00 0.00 C ATOM 593 O LEU A 42 7.475 -6.988 -10.679 1.00 0.00 O ATOM 594 CB LEU A 42 4.477 -6.215 -11.964 1.00 0.00 C ATOM 595 CG LEU A 42 4.229 -6.306 -10.430 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.430 -4.937 -9.749 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.830 -6.860 -10.089 1.00 0.00 C ATOM 0 H LEU A 42 5.064 -6.892 -14.306 1.00 0.00 H new ATOM 0 HA LEU A 42 6.402 -5.368 -12.369 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.094 -5.255 -12.311 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.882 -6.990 -12.448 1.00 0.00 H new ATOM 0 HG LEU A 42 4.967 -7.009 -10.044 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.250 -5.033 -8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.451 -4.594 -9.916 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.731 -4.215 -10.171 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.709 -6.903 -9.007 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.067 -6.208 -10.514 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.724 -7.862 -10.506 1.00 0.00 H new ATOM 609 N GLY A 43 6.589 -8.673 -11.912 1.00 0.00 N ATOM 610 CA GLY A 43 7.193 -9.774 -11.121 1.00 0.00 C ATOM 611 C GLY A 43 8.696 -9.499 -10.855 1.00 0.00 C ATOM 612 O GLY A 43 9.162 -9.596 -9.711 1.00 0.00 O ATOM 0 H GLY A 43 6.039 -8.994 -12.709 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.665 -9.880 -10.174 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.080 -10.717 -11.656 1.00 0.00 H new ATOM 616 N THR A 44 9.446 -9.188 -11.928 1.00 0.00 N ATOM 617 CA THR A 44 10.920 -9.008 -11.868 1.00 0.00 C ATOM 618 C THR A 44 11.261 -8.021 -10.717 1.00 0.00 C ATOM 619 O THR A 44 12.028 -8.354 -9.806 1.00 0.00 O ATOM 620 CB THR A 44 11.510 -8.557 -13.242 1.00 0.00 C ATOM 621 OG1 THR A 44 12.002 -9.679 -13.971 1.00 0.00 O ATOM 622 CG2 THR A 44 12.639 -7.512 -13.159 1.00 0.00 C ATOM 0 H THR A 44 9.055 -9.053 -12.861 1.00 0.00 H new ATOM 0 HA THR A 44 11.391 -9.967 -11.654 1.00 0.00 H new ATOM 0 HB THR A 44 10.671 -8.080 -13.748 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.366 -9.377 -14.829 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.981 -7.265 -14.164 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.266 -6.612 -12.671 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.470 -7.919 -12.583 1.00 0.00 H new ATOM 630 N VAL A 45 10.700 -6.800 -10.794 1.00 0.00 N ATOM 631 CA VAL A 45 11.004 -5.694 -9.846 1.00 0.00 C ATOM 632 C VAL A 45 10.817 -6.245 -8.406 1.00 0.00 C ATOM 633 O VAL A 45 11.645 -5.981 -7.522 1.00 0.00 O ATOM 634 CB VAL A 45 10.153 -4.409 -10.147 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.488 -3.780 -8.898 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.966 -3.306 -10.866 1.00 0.00 C ATOM 0 H VAL A 45 10.022 -6.545 -11.512 1.00 0.00 H new ATOM 0 HA VAL A 45 12.035 -5.361 -9.963 1.00 0.00 H new ATOM 0 HB VAL A 45 9.367 -4.780 -10.805 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.920 -2.898 -9.194 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.818 -4.506 -8.438 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.258 -3.492 -8.182 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.326 -2.443 -11.048 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.808 -3.008 -10.241 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.338 -3.689 -11.816 1.00 0.00 H new ATOM 646 N MET A 46 9.713 -6.978 -8.176 1.00 0.00 N ATOM 647 CA MET A 46 9.339 -7.480 -6.826 1.00 0.00 C ATOM 648 C MET A 46 10.565 -8.238 -6.247 1.00 0.00 C ATOM 649 O MET A 46 11.101 -7.862 -5.197 1.00 0.00 O ATOM 650 CB MET A 46 8.066 -8.371 -6.880 1.00 0.00 C ATOM 651 CG MET A 46 6.726 -7.620 -6.998 1.00 0.00 C ATOM 652 SD MET A 46 6.126 -7.163 -5.356 1.00 0.00 S ATOM 653 CE MET A 46 4.979 -5.828 -5.757 1.00 0.00 C ATOM 0 H MET A 46 9.055 -7.242 -8.909 1.00 0.00 H new ATOM 0 HA MET A 46 9.084 -6.647 -6.171 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.156 -9.050 -7.728 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.038 -8.986 -5.981 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.853 -6.727 -7.609 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.991 -8.248 -7.501 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.530 -5.446 -4.840 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.517 -5.025 -6.260 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.196 -6.206 -6.414 1.00 0.00 H new ATOM 663 N ARG A 47 10.975 -9.321 -6.931 1.00 0.00 N ATOM 664 CA ARG A 47 12.153 -10.143 -6.546 1.00 0.00 C ATOM 665 C ARG A 47 13.438 -9.564 -7.204 1.00 0.00 C ATOM 666 O ARG A 47 14.244 -10.317 -7.769 1.00 0.00 O ATOM 667 CB ARG A 47 11.935 -11.626 -6.962 1.00 0.00 C ATOM 668 CG ARG A 47 10.923 -12.402 -6.088 1.00 0.00 C ATOM 669 CD ARG A 47 9.651 -11.593 -5.767 1.00 0.00 C ATOM 670 NE ARG A 47 8.433 -12.444 -5.754 1.00 0.00 N ATOM 671 CZ ARG A 47 7.659 -12.671 -4.672 1.00 0.00 C ATOM 672 NH1 ARG A 47 7.895 -12.159 -3.465 1.00 0.00 N ATOM 673 NH2 ARG A 47 6.601 -13.447 -4.819 1.00 0.00 N ATOM 0 H ARG A 47 10.502 -9.658 -7.770 1.00 0.00 H new ATOM 0 HA ARG A 47 12.274 -10.111 -5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.595 -11.652 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.894 -12.143 -6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.641 -13.322 -6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.406 -12.692 -5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.765 -11.110 -4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.531 -10.800 -6.505 1.00 0.00 H new ATOM 0 HE ARG A 47 8.161 -12.891 -6.630 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.703 -11.554 -3.317 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.268 -12.372 -2.689 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.390 -13.854 -5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.995 -13.639 -4.022 1.00 0.00 H new ATOM 687 N MET A 48 13.628 -8.235 -7.095 1.00 0.00 N ATOM 688 CA MET A 48 14.823 -7.540 -7.647 1.00 0.00 C ATOM 689 C MET A 48 16.079 -8.129 -6.945 1.00 0.00 C ATOM 690 O MET A 48 17.144 -8.251 -7.563 1.00 0.00 O ATOM 691 CB MET A 48 14.732 -5.997 -7.483 1.00 0.00 C ATOM 692 CG MET A 48 14.214 -5.220 -8.708 1.00 0.00 C ATOM 693 SD MET A 48 15.499 -4.112 -9.328 1.00 0.00 S ATOM 694 CE MET A 48 15.353 -4.363 -11.109 1.00 0.00 C ATOM 0 H MET A 48 12.969 -7.612 -6.628 1.00 0.00 H new ATOM 0 HA MET A 48 14.885 -7.710 -8.722 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.081 -5.779 -6.637 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.722 -5.619 -7.229 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.915 -5.917 -9.491 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.328 -4.646 -8.437 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.085 -3.742 -11.625 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.535 -5.411 -11.345 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.350 -4.087 -11.434 1.00 0.00 H new ATOM 704 N LEU A 49 15.943 -8.457 -5.646 1.00 0.00 N ATOM 705 CA LEU A 49 17.075 -8.929 -4.803 1.00 0.00 C ATOM 706 C LEU A 49 17.798 -10.076 -5.559 1.00 0.00 C ATOM 707 O LEU A 49 18.822 -9.860 -6.220 1.00 0.00 O ATOM 708 CB LEU A 49 16.583 -9.389 -3.395 1.00 0.00 C ATOM 709 CG LEU A 49 15.052 -9.568 -3.167 1.00 0.00 C ATOM 710 CD1 LEU A 49 14.348 -8.212 -2.967 1.00 0.00 C ATOM 711 CD2 LEU A 49 14.360 -10.368 -4.289 1.00 0.00 C ATOM 0 H LEU A 49 15.055 -8.405 -5.148 1.00 0.00 H new ATOM 0 HA LEU A 49 17.773 -8.110 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 49 17.066 -10.340 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 49 16.945 -8.666 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 49 14.957 -10.153 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.282 -8.375 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.769 -7.708 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.494 -7.592 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.296 -10.457 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.493 -9.851 -5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.801 -11.363 -4.352 1.00 0.00 H new ATOM 723 N GLY A 50 17.269 -11.309 -5.426 1.00 0.00 N ATOM 724 CA GLY A 50 17.822 -12.500 -6.118 1.00 0.00 C ATOM 725 C GLY A 50 16.839 -13.693 -5.998 1.00 0.00 C ATOM 726 O GLY A 50 17.154 -14.708 -5.361 1.00 0.00 O ATOM 0 H GLY A 50 16.456 -11.511 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.999 -12.270 -7.169 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.785 -12.768 -5.683 1.00 0.00 H new ATOM 730 N GLN A 51 15.652 -13.552 -6.616 1.00 0.00 N ATOM 731 CA GLN A 51 14.636 -14.635 -6.695 1.00 0.00 C ATOM 732 C GLN A 51 13.975 -14.580 -8.099 1.00 0.00 C ATOM 733 O GLN A 51 14.217 -13.649 -8.876 1.00 0.00 O ATOM 734 CB GLN A 51 13.602 -14.489 -5.542 1.00 0.00 C ATOM 735 CG GLN A 51 12.613 -15.666 -5.357 1.00 0.00 C ATOM 736 CD GLN A 51 12.114 -15.858 -3.914 1.00 0.00 C ATOM 737 OE1 GLN A 51 12.894 -15.848 -2.962 1.00 0.00 O ATOM 738 NE2 GLN A 51 10.815 -16.032 -3.719 1.00 0.00 N ATOM 0 H GLN A 51 15.364 -12.688 -7.076 1.00 0.00 H new ATOM 0 HA GLN A 51 15.100 -15.613 -6.570 1.00 0.00 H new ATOM 0 HB2 GLN A 51 14.147 -14.350 -4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.025 -13.580 -5.713 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.753 -15.507 -6.008 1.00 0.00 H new ATOM 0 HG3 GLN A 51 13.096 -16.586 -5.686 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.176 -16.039 -4.514 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.454 -16.159 -2.774 1.00 0.00 H new ATOM 747 N ASN A 52 13.149 -15.596 -8.411 1.00 0.00 N ATOM 748 CA ASN A 52 12.457 -15.707 -9.722 1.00 0.00 C ATOM 749 C ASN A 52 11.137 -16.548 -9.579 1.00 0.00 C ATOM 750 O ASN A 52 11.226 -17.781 -9.633 1.00 0.00 O ATOM 751 CB ASN A 52 13.441 -16.324 -10.755 1.00 0.00 C ATOM 752 CG ASN A 52 13.106 -16.023 -12.231 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.371 -15.085 -12.540 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.626 -16.806 -13.165 1.00 0.00 N ATOM 0 H ASN A 52 12.939 -16.362 -7.771 1.00 0.00 H new ATOM 0 HA ASN A 52 12.159 -14.720 -10.077 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.445 -15.956 -10.543 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.461 -17.405 -10.615 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.418 -16.634 -14.149 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.234 -17.581 -12.900 1.00 0.00 H new ATOM 761 N PRO A 53 9.917 -15.955 -9.394 1.00 0.00 N ATOM 762 CA PRO A 53 8.654 -16.720 -9.236 1.00 0.00 C ATOM 763 C PRO A 53 8.100 -17.224 -10.597 1.00 0.00 C ATOM 764 O PRO A 53 8.751 -17.079 -11.638 1.00 0.00 O ATOM 765 CB PRO A 53 7.744 -15.697 -8.525 1.00 0.00 C ATOM 766 CG PRO A 53 8.238 -14.317 -8.963 1.00 0.00 C ATOM 767 CD PRO A 53 9.734 -14.495 -9.212 1.00 0.00 C ATOM 0 HA PRO A 53 8.758 -17.646 -8.670 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.700 -15.844 -8.803 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.804 -15.807 -7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.725 -13.982 -9.864 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.052 -13.568 -8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.056 -13.943 -10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.322 -14.124 -8.372 1.00 0.00 H new ATOM 775 N THR A 54 6.901 -17.837 -10.563 1.00 0.00 N ATOM 776 CA THR A 54 6.229 -18.377 -11.775 1.00 0.00 C ATOM 777 C THR A 54 5.235 -17.312 -12.312 1.00 0.00 C ATOM 778 O THR A 54 4.949 -16.315 -11.638 1.00 0.00 O ATOM 779 CB THR A 54 5.548 -19.756 -11.504 1.00 0.00 C ATOM 780 OG1 THR A 54 5.634 -20.594 -12.654 1.00 0.00 O ATOM 781 CG2 THR A 54 4.070 -19.684 -11.077 1.00 0.00 C ATOM 0 H THR A 54 6.369 -17.974 -9.704 1.00 0.00 H new ATOM 0 HA THR A 54 6.976 -18.576 -12.544 1.00 0.00 H new ATOM 0 HB THR A 54 6.104 -20.166 -10.661 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.204 -21.454 -12.465 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.689 -20.692 -10.913 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.985 -19.110 -10.155 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.488 -19.199 -11.861 1.00 0.00 H new ATOM 789 N LYS A 55 4.717 -17.542 -13.534 1.00 0.00 N ATOM 790 CA LYS A 55 3.836 -16.573 -14.240 1.00 0.00 C ATOM 791 C LYS A 55 2.398 -16.730 -13.676 1.00 0.00 C ATOM 792 O LYS A 55 1.668 -15.745 -13.522 1.00 0.00 O ATOM 793 CB LYS A 55 3.905 -16.802 -15.780 1.00 0.00 C ATOM 794 CG LYS A 55 2.988 -15.926 -16.667 1.00 0.00 C ATOM 795 CD LYS A 55 1.535 -16.434 -16.814 1.00 0.00 C ATOM 796 CE LYS A 55 1.408 -17.907 -17.253 1.00 0.00 C ATOM 797 NZ LYS A 55 1.329 -18.075 -18.718 1.00 0.00 N ATOM 0 H LYS A 55 4.892 -18.397 -14.062 1.00 0.00 H new ATOM 0 HA LYS A 55 4.166 -15.548 -14.069 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.935 -16.644 -16.099 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.667 -17.847 -15.977 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.964 -14.918 -16.253 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.432 -15.852 -17.660 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.022 -16.308 -15.860 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.017 -15.807 -17.540 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.264 -18.466 -16.876 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.518 -18.340 -16.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.245 -19.086 -18.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.497 -17.567 -19.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.189 -17.690 -19.158 1.00 0.00 H new ATOM 811 N GLU A 56 2.007 -17.985 -13.383 1.00 0.00 N ATOM 812 CA GLU A 56 0.629 -18.324 -12.938 1.00 0.00 C ATOM 813 C GLU A 56 0.390 -17.676 -11.547 1.00 0.00 C ATOM 814 O GLU A 56 -0.721 -17.224 -11.243 1.00 0.00 O ATOM 815 CB GLU A 56 0.421 -19.866 -12.952 1.00 0.00 C ATOM 816 CG GLU A 56 -0.348 -20.449 -14.161 1.00 0.00 C ATOM 817 CD GLU A 56 -0.595 -21.958 -14.079 1.00 0.00 C ATOM 818 OE1 GLU A 56 -0.878 -22.466 -12.971 1.00 0.00 O ATOM 819 OE2 GLU A 56 -0.511 -22.643 -15.123 1.00 0.00 O ATOM 0 H GLU A 56 2.628 -18.792 -13.445 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.116 -17.921 -13.623 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.400 -20.343 -12.909 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.110 -20.147 -12.043 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.308 -19.939 -14.247 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.211 -20.233 -15.071 1.00 0.00 H new ATOM 826 N GLU A 57 1.440 -17.663 -10.706 1.00 0.00 N ATOM 827 CA GLU A 57 1.349 -17.179 -9.302 1.00 0.00 C ATOM 828 C GLU A 57 1.008 -15.664 -9.311 1.00 0.00 C ATOM 829 O GLU A 57 0.133 -15.208 -8.566 1.00 0.00 O ATOM 830 CB GLU A 57 2.648 -17.497 -8.507 1.00 0.00 C ATOM 831 CG GLU A 57 2.518 -17.749 -6.984 1.00 0.00 C ATOM 832 CD GLU A 57 2.234 -19.207 -6.609 1.00 0.00 C ATOM 833 OE1 GLU A 57 1.324 -19.819 -7.211 1.00 0.00 O ATOM 834 OE2 GLU A 57 2.922 -19.747 -5.715 1.00 0.00 O ATOM 0 H GLU A 57 2.372 -17.983 -10.970 1.00 0.00 H new ATOM 0 HA GLU A 57 0.549 -17.707 -8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.108 -18.378 -8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.341 -16.668 -8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.440 -17.433 -6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.718 -17.122 -6.591 1.00 0.00 H new ATOM 841 N LEU A 58 1.734 -14.893 -10.142 1.00 0.00 N ATOM 842 CA LEU A 58 1.609 -13.412 -10.191 1.00 0.00 C ATOM 843 C LEU A 58 0.208 -13.043 -10.751 1.00 0.00 C ATOM 844 O LEU A 58 -0.388 -12.038 -10.345 1.00 0.00 O ATOM 845 CB LEU A 58 2.791 -12.840 -11.027 1.00 0.00 C ATOM 846 CG LEU A 58 3.969 -12.211 -10.230 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.343 -12.445 -10.895 1.00 0.00 C ATOM 848 CD2 LEU A 58 3.739 -10.701 -10.025 1.00 0.00 C ATOM 0 H LEU A 58 2.420 -15.269 -10.796 1.00 0.00 H new ATOM 0 HA LEU A 58 1.676 -12.964 -9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.190 -13.643 -11.647 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.395 -12.083 -11.703 1.00 0.00 H new ATOM 0 HG LEU A 58 3.989 -12.716 -9.264 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.123 -11.982 -10.291 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.532 -13.516 -10.973 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.345 -12.003 -11.891 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.574 -10.279 -9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.666 -10.209 -10.995 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.814 -10.546 -9.469 1.00 0.00 H new ATOM 860 N ASP A 59 -0.296 -13.869 -11.686 1.00 0.00 N ATOM 861 CA ASP A 59 -1.584 -13.618 -12.387 1.00 0.00 C ATOM 862 C ASP A 59 -2.729 -13.613 -11.338 1.00 0.00 C ATOM 863 O ASP A 59 -3.717 -12.884 -11.485 1.00 0.00 O ATOM 864 CB ASP A 59 -1.824 -14.645 -13.531 1.00 0.00 C ATOM 865 CG ASP A 59 -3.082 -14.421 -14.388 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.166 -14.170 -13.816 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.990 -14.502 -15.633 1.00 0.00 O ATOM 0 H ASP A 59 0.170 -14.727 -11.981 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.553 -12.643 -12.873 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.955 -14.636 -14.189 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.881 -15.641 -13.092 1.00 0.00 H new ATOM 872 N ALA A 60 -2.591 -14.456 -10.297 1.00 0.00 N ATOM 873 CA ALA A 60 -3.614 -14.596 -9.227 1.00 0.00 C ATOM 874 C ALA A 60 -3.486 -13.429 -8.210 1.00 0.00 C ATOM 875 O ALA A 60 -4.480 -12.997 -7.616 1.00 0.00 O ATOM 876 CB ALA A 60 -3.449 -15.971 -8.549 1.00 0.00 C ATOM 0 H ALA A 60 -1.777 -15.057 -10.168 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.615 -14.543 -9.655 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.196 -16.081 -7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.582 -16.760 -9.289 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.452 -16.045 -8.115 1.00 0.00 H new ATOM 882 N ILE A 61 -2.243 -12.954 -8.005 1.00 0.00 N ATOM 883 CA ILE A 61 -1.922 -11.915 -6.990 1.00 0.00 C ATOM 884 C ILE A 61 -2.660 -10.623 -7.441 1.00 0.00 C ATOM 885 O ILE A 61 -3.215 -9.895 -6.609 1.00 0.00 O ATOM 886 CB ILE A 61 -0.370 -11.753 -6.782 1.00 0.00 C ATOM 887 CG1 ILE A 61 0.180 -12.643 -5.622 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.051 -10.274 -6.563 1.00 0.00 C ATOM 889 CD1 ILE A 61 0.903 -11.895 -4.489 1.00 0.00 C ATOM 0 H ILE A 61 -1.431 -13.274 -8.533 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.272 -12.194 -5.996 1.00 0.00 H new ATOM 0 HB ILE A 61 0.079 -12.099 -7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.652 -13.200 -5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.868 -13.375 -6.046 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.131 -10.220 -6.425 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.234 -9.682 -7.433 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.448 -9.881 -5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.242 -12.610 -3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.762 -11.361 -4.896 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.218 -11.183 -4.028 1.00 0.00 H new ATOM 901 N ILE A 62 -2.653 -10.357 -8.761 1.00 0.00 N ATOM 902 CA ILE A 62 -3.215 -9.112 -9.352 1.00 0.00 C ATOM 903 C ILE A 62 -4.760 -9.268 -9.304 1.00 0.00 C ATOM 904 O ILE A 62 -5.484 -8.286 -9.095 1.00 0.00 O ATOM 905 CB ILE A 62 -2.621 -8.819 -10.780 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.272 -8.032 -10.723 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.627 -8.081 -11.705 1.00 0.00 C ATOM 908 CD1 ILE A 62 -0.754 -7.491 -12.066 1.00 0.00 C ATOM 0 H ILE A 62 -2.259 -10.994 -9.453 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.932 -8.225 -8.786 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.421 -9.800 -11.211 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.391 -7.193 -10.037 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.510 -8.685 -10.298 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.166 -7.904 -12.677 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.520 -8.693 -11.833 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.903 -7.127 -11.255 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.186 -6.963 -11.907 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.593 -8.320 -12.755 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.488 -6.805 -12.489 1.00 0.00 H new ATOM 920 N GLU A 63 -5.248 -10.505 -9.520 1.00 0.00 N ATOM 921 CA GLU A 63 -6.703 -10.816 -9.505 1.00 0.00 C ATOM 922 C GLU A 63 -7.319 -10.204 -8.216 1.00 0.00 C ATOM 923 O GLU A 63 -8.481 -9.783 -8.212 1.00 0.00 O ATOM 924 CB GLU A 63 -6.937 -12.348 -9.638 1.00 0.00 C ATOM 925 CG GLU A 63 -8.135 -12.935 -8.853 1.00 0.00 C ATOM 926 CD GLU A 63 -8.708 -14.222 -9.454 1.00 0.00 C ATOM 927 OE1 GLU A 63 -9.293 -14.166 -10.559 1.00 0.00 O ATOM 928 OE2 GLU A 63 -8.580 -15.295 -8.823 1.00 0.00 O ATOM 0 H GLU A 63 -4.657 -11.314 -9.709 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.207 -10.370 -10.362 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.074 -12.582 -10.694 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.032 -12.861 -9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.821 -13.134 -7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.926 -12.186 -8.805 1.00 0.00 H new ATOM 935 N GLU A 64 -6.520 -10.165 -7.134 1.00 0.00 N ATOM 936 CA GLU A 64 -6.945 -9.588 -5.831 1.00 0.00 C ATOM 937 C GLU A 64 -7.233 -8.076 -6.037 1.00 0.00 C ATOM 938 O GLU A 64 -8.365 -7.617 -5.847 1.00 0.00 O ATOM 939 CB GLU A 64 -5.876 -9.878 -4.739 1.00 0.00 C ATOM 940 CG GLU A 64 -6.379 -9.932 -3.277 1.00 0.00 C ATOM 941 CD GLU A 64 -6.229 -8.613 -2.512 1.00 0.00 C ATOM 942 OE1 GLU A 64 -5.290 -7.842 -2.814 1.00 0.00 O ATOM 943 OE2 GLU A 64 -7.046 -8.342 -1.604 1.00 0.00 O ATOM 0 H GLU A 64 -5.567 -10.528 -7.130 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.863 -10.053 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.401 -10.831 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.104 -9.112 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.430 -10.222 -3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.833 -10.711 -2.745 1.00 0.00 H new ATOM 950 N VAL A 65 -6.196 -7.321 -6.445 1.00 0.00 N ATOM 951 CA VAL A 65 -6.275 -5.844 -6.607 1.00 0.00 C ATOM 952 C VAL A 65 -6.383 -5.548 -8.128 1.00 0.00 C ATOM 953 O VAL A 65 -5.407 -5.118 -8.756 1.00 0.00 O ATOM 954 CB VAL A 65 -5.079 -5.111 -5.902 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.680 -5.541 -6.411 1.00 0.00 C ATOM 956 CG2 VAL A 65 -5.174 -3.570 -6.006 1.00 0.00 C ATOM 0 H VAL A 65 -5.280 -7.709 -6.673 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.159 -5.447 -6.108 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.177 -5.421 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.911 -4.987 -5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.544 -6.609 -6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.600 -5.329 -7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.321 -3.118 -5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.172 -3.275 -7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.096 -3.230 -5.535 1.00 0.00 H new ATOM 966 N ASP A 66 -7.575 -5.782 -8.706 1.00 0.00 N ATOM 967 CA ASP A 66 -7.834 -5.548 -10.153 1.00 0.00 C ATOM 968 C ASP A 66 -9.346 -5.770 -10.428 1.00 0.00 C ATOM 969 O ASP A 66 -9.727 -6.384 -11.433 1.00 0.00 O ATOM 970 CB ASP A 66 -6.922 -6.434 -11.050 1.00 0.00 C ATOM 971 CG ASP A 66 -6.692 -5.931 -12.485 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.622 -5.343 -13.079 1.00 0.00 O ATOM 973 OD2 ASP A 66 -5.576 -6.118 -13.019 1.00 0.00 O ATOM 0 H ASP A 66 -8.384 -6.135 -8.196 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.581 -4.520 -10.411 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.953 -6.533 -10.562 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.357 -7.432 -11.102 1.00 0.00 H new ATOM 978 N GLU A 67 -10.198 -5.235 -9.535 1.00 0.00 N ATOM 979 CA GLU A 67 -11.675 -5.383 -9.598 1.00 0.00 C ATOM 980 C GLU A 67 -12.276 -4.258 -10.484 1.00 0.00 C ATOM 981 O GLU A 67 -13.450 -3.890 -10.309 1.00 0.00 O ATOM 982 CB GLU A 67 -12.268 -5.400 -8.155 1.00 0.00 C ATOM 983 CG GLU A 67 -13.575 -6.204 -7.958 1.00 0.00 C ATOM 984 CD GLU A 67 -13.358 -7.660 -7.535 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.216 -8.022 -7.174 1.00 0.00 O ATOM 986 OE2 GLU A 67 -14.330 -8.448 -7.558 1.00 0.00 O ATOM 0 H GLU A 67 -9.883 -4.681 -8.739 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.940 -6.333 -10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.513 -5.804 -7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.451 -4.370 -7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.185 -5.706 -7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.142 -6.188 -8.889 1.00 0.00 H new ATOM 993 N ASP A 68 -11.487 -3.713 -11.428 1.00 0.00 N ATOM 994 CA ASP A 68 -11.920 -2.603 -12.319 1.00 0.00 C ATOM 995 C ASP A 68 -12.267 -3.191 -13.713 1.00 0.00 C ATOM 996 O ASP A 68 -13.285 -2.836 -14.320 1.00 0.00 O ATOM 997 CB ASP A 68 -10.850 -1.475 -12.392 1.00 0.00 C ATOM 998 CG ASP A 68 -9.617 -1.768 -13.264 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.999 -2.843 -13.099 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.259 -0.918 -14.110 1.00 0.00 O ATOM 0 H ASP A 68 -10.531 -4.024 -11.600 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.813 -2.130 -11.910 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.329 -0.571 -12.768 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.510 -1.258 -11.379 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.422 -4.122 -14.202 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.642 -4.799 -15.504 1.00 0.00 C ATOM 1007 C GLY A 69 -10.695 -4.214 -16.584 1.00 0.00 C ATOM 1008 O GLY A 69 -11.153 -3.693 -17.610 1.00 0.00 O ATOM 0 H GLY A 69 -10.578 -4.425 -13.716 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.467 -5.870 -15.399 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.679 -4.675 -15.815 1.00 0.00 H new ATOM 1012 N SER A 70 -9.376 -4.310 -16.334 1.00 0.00 N ATOM 1013 CA SER A 70 -8.330 -3.766 -17.239 1.00 0.00 C ATOM 1014 C SER A 70 -7.291 -4.871 -17.568 1.00 0.00 C ATOM 1015 O SER A 70 -6.802 -4.972 -18.700 1.00 0.00 O ATOM 1016 CB SER A 70 -7.681 -2.524 -16.585 1.00 0.00 C ATOM 1017 OG SER A 70 -6.908 -2.881 -15.444 1.00 0.00 O ATOM 0 H SER A 70 -8.999 -4.765 -15.502 1.00 0.00 H new ATOM 0 HA SER A 70 -8.774 -3.450 -18.183 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.046 -2.018 -17.312 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.458 -1.817 -16.293 1.00 0.00 H new ATOM 0 HG SER A 70 -7.480 -2.879 -14.648 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.934 -5.679 -16.550 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.923 -6.756 -16.696 1.00 0.00 C ATOM 1025 C GLY A 71 -4.503 -6.159 -16.874 1.00 0.00 C ATOM 1026 O GLY A 71 -3.632 -6.781 -17.496 1.00 0.00 O ATOM 0 H GLY A 71 -7.330 -5.609 -15.613 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.943 -7.401 -15.818 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.171 -7.379 -17.555 1.00 0.00 H new ATOM 1030 N THR A 72 -4.287 -4.953 -16.317 1.00 0.00 N ATOM 1031 CA THR A 72 -2.963 -4.273 -16.316 1.00 0.00 C ATOM 1032 C THR A 72 -2.939 -3.232 -15.164 1.00 0.00 C ATOM 1033 O THR A 72 -3.995 -2.779 -14.700 1.00 0.00 O ATOM 1034 CB THR A 72 -2.627 -3.645 -17.705 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.631 -2.709 -18.090 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.449 -4.651 -18.858 1.00 0.00 C ATOM 0 H THR A 72 -5.020 -4.417 -15.853 1.00 0.00 H new ATOM 0 HA THR A 72 -2.177 -5.007 -16.139 1.00 0.00 H new ATOM 0 HB THR A 72 -1.660 -3.166 -17.550 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.348 -1.805 -17.841 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.218 -4.113 -19.778 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.633 -5.334 -18.622 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.370 -5.219 -18.991 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.729 -2.877 -14.690 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.527 -1.899 -13.589 1.00 0.00 C ATOM 1046 C ILE A 73 -1.095 -0.566 -14.259 1.00 0.00 C ATOM 1047 O ILE A 73 0.090 -0.204 -14.225 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.527 -2.441 -12.497 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.040 -3.739 -11.798 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.170 -1.369 -11.432 1.00 0.00 C ATOM 1051 CD1 ILE A 73 0.015 -4.546 -11.023 1.00 0.00 C ATOM 0 H ILE A 73 -0.857 -3.259 -15.057 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.443 -1.730 -13.023 1.00 0.00 H new ATOM 0 HB ILE A 73 0.382 -2.692 -13.044 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.839 -3.466 -11.109 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.480 -4.387 -12.556 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.521 -1.795 -10.705 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.298 -0.514 -11.919 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.078 -1.045 -10.923 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.453 -5.425 -10.579 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.805 -4.861 -11.705 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.441 -3.925 -10.235 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.064 0.163 -14.842 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.804 1.468 -15.509 1.00 0.00 C ATOM 1065 C ASP A 74 -1.323 2.491 -14.443 1.00 0.00 C ATOM 1066 O ASP A 74 -1.154 2.162 -13.257 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.049 1.966 -16.298 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.022 0.879 -16.786 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.764 0.266 -17.846 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.050 0.642 -16.114 1.00 0.00 O ATOM 0 H ASP A 74 -3.042 -0.125 -14.869 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.016 1.347 -16.252 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.601 2.661 -15.665 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.703 2.530 -17.164 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.080 3.741 -14.883 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.690 4.858 -13.978 1.00 0.00 C ATOM 1077 C PHE A 75 -1.914 5.234 -13.100 1.00 0.00 C ATOM 1078 O PHE A 75 -1.762 5.611 -11.931 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.162 6.070 -14.799 1.00 0.00 C ATOM 1080 CG PHE A 75 0.554 7.160 -13.974 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.927 7.066 -13.715 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -0.166 8.246 -13.464 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.558 8.020 -12.919 1.00 0.00 C ATOM 1084 CE2 PHE A 75 0.468 9.198 -12.669 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.825 9.074 -12.382 1.00 0.00 C ATOM 0 H PHE A 75 -1.146 4.011 -15.864 1.00 0.00 H new ATOM 0 HA PHE A 75 0.125 4.547 -13.325 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.527 5.701 -15.559 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.001 6.526 -15.324 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.499 6.251 -14.134 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.218 8.347 -13.688 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.616 7.941 -12.719 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.093 10.033 -12.275 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.309 9.797 -11.742 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.123 5.120 -13.680 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.388 5.527 -13.013 1.00 0.00 C ATOM 1097 C GLU A 76 -4.621 4.633 -11.764 1.00 0.00 C ATOM 1098 O GLU A 76 -4.919 5.137 -10.675 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.584 5.487 -14.009 1.00 0.00 C ATOM 1100 CG GLU A 76 -6.293 4.128 -14.231 1.00 0.00 C ATOM 1101 CD GLU A 76 -7.579 3.948 -13.419 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -8.594 4.606 -13.739 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -7.581 3.144 -12.460 1.00 0.00 O ATOM 0 H GLU A 76 -3.258 4.746 -14.619 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.308 6.561 -12.677 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.331 6.202 -13.665 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.227 5.840 -14.976 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.528 4.023 -15.290 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.601 3.325 -13.977 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.479 3.307 -11.946 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.714 2.302 -10.876 1.00 0.00 C ATOM 1112 C GLU A 77 -3.571 2.384 -9.828 1.00 0.00 C ATOM 1113 O GLU A 77 -3.811 2.248 -8.622 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.856 0.864 -11.458 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.923 -0.290 -10.430 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.452 -1.596 -11.027 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.688 -1.751 -11.144 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -4.635 -2.472 -11.387 1.00 0.00 O ATOM 0 H GLU A 77 -4.198 2.896 -12.836 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.659 2.531 -10.383 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.758 0.830 -12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.013 0.680 -12.124 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.928 -0.462 -10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.563 0.008 -9.599 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.332 2.601 -10.307 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.129 2.700 -9.438 1.00 0.00 C ATOM 1127 C PHE A 78 -1.349 3.831 -8.398 1.00 0.00 C ATOM 1128 O PHE A 78 -0.838 3.763 -7.273 1.00 0.00 O ATOM 1129 CB PHE A 78 0.150 2.923 -10.303 1.00 0.00 C ATOM 1130 CG PHE A 78 1.483 2.931 -9.527 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.550 2.433 -8.220 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.653 3.390 -10.144 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.769 2.386 -7.548 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.871 3.339 -9.471 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.929 2.835 -8.175 1.00 0.00 C ATOM 0 H PHE A 78 -2.130 2.713 -11.300 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.978 1.767 -8.895 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.196 2.141 -11.061 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.050 3.872 -10.830 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.653 2.084 -7.731 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.611 3.786 -11.148 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.815 2.001 -6.540 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.770 3.690 -9.955 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.875 2.792 -7.655 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.089 4.881 -8.800 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.309 6.091 -7.963 1.00 0.00 C ATOM 1147 C LEU A 79 -3.272 5.717 -6.803 1.00 0.00 C ATOM 1148 O LEU A 79 -3.121 6.206 -5.676 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.872 7.264 -8.822 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.862 8.085 -9.675 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.568 9.454 -9.028 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.541 7.327 -9.922 1.00 0.00 C ATOM 0 H LEU A 79 -2.552 4.922 -9.708 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.362 6.434 -7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.625 6.855 -9.495 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.384 7.954 -8.152 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.339 8.242 -10.643 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.859 10.004 -9.647 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.494 10.023 -8.943 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.143 9.304 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.127 7.945 -10.522 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.067 7.102 -8.967 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.749 6.397 -10.452 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.272 4.868 -7.101 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.289 4.417 -6.112 1.00 0.00 C ATOM 1166 C VAL A 80 -4.568 3.555 -5.041 1.00 0.00 C ATOM 1167 O VAL A 80 -4.940 3.579 -3.861 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.492 3.685 -6.807 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.214 2.692 -5.865 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.556 4.638 -7.408 1.00 0.00 C ATOM 0 H VAL A 80 -4.405 4.471 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.744 5.274 -5.615 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.015 3.144 -7.624 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.036 2.216 -6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.510 1.931 -5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.605 3.229 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.351 4.052 -7.868 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.975 5.260 -6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.091 5.273 -8.162 1.00 0.00 H new ATOM 1180 N MET A 81 -3.559 2.776 -5.473 1.00 0.00 N ATOM 1181 CA MET A 81 -2.774 1.880 -4.580 1.00 0.00 C ATOM 1182 C MET A 81 -2.090 2.752 -3.491 1.00 0.00 C ATOM 1183 O MET A 81 -2.331 2.567 -2.292 1.00 0.00 O ATOM 1184 CB MET A 81 -1.747 1.036 -5.386 1.00 0.00 C ATOM 1185 CG MET A 81 -1.032 -0.080 -4.601 1.00 0.00 C ATOM 1186 SD MET A 81 0.523 -0.511 -5.414 1.00 0.00 S ATOM 1187 CE MET A 81 1.091 -1.882 -4.386 1.00 0.00 C ATOM 0 H MET A 81 -3.259 2.744 -6.447 1.00 0.00 H new ATOM 0 HA MET A 81 -3.438 1.163 -4.097 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.262 0.585 -6.234 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.992 1.709 -5.793 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.839 0.249 -3.580 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.674 -0.959 -4.537 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.043 -2.253 -4.767 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.220 -1.538 -3.360 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.354 -2.684 -4.410 1.00 0.00 H new ATOM 1197 N MET A 82 -1.212 3.674 -3.930 1.00 0.00 N ATOM 1198 CA MET A 82 -0.388 4.506 -3.011 1.00 0.00 C ATOM 1199 C MET A 82 -1.316 5.318 -2.067 1.00 0.00 C ATOM 1200 O MET A 82 -0.966 5.580 -0.910 1.00 0.00 O ATOM 1201 CB MET A 82 0.561 5.423 -3.832 1.00 0.00 C ATOM 1202 CG MET A 82 1.937 4.821 -4.177 1.00 0.00 C ATOM 1203 SD MET A 82 3.267 5.727 -3.352 1.00 0.00 S ATOM 1204 CE MET A 82 3.279 4.954 -1.722 1.00 0.00 C ATOM 0 H MET A 82 -1.050 3.867 -4.918 1.00 0.00 H new ATOM 0 HA MET A 82 0.237 3.865 -2.389 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.060 5.694 -4.761 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.718 6.346 -3.273 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.965 3.774 -3.877 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.089 4.847 -5.256 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.052 5.415 -1.106 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.307 5.091 -1.247 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.485 3.889 -1.826 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.495 5.717 -2.581 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.448 6.600 -1.856 1.00 0.00 C ATOM 1216 C VAL A 83 -4.060 5.780 -0.688 1.00 0.00 C ATOM 1217 O VAL A 83 -4.341 6.328 0.386 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.520 7.220 -2.822 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.942 7.233 -2.211 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.189 8.657 -3.299 1.00 0.00 C ATOM 0 H VAL A 83 -2.819 5.441 -3.508 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.930 7.464 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.492 6.555 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.640 7.672 -2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.250 6.212 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.939 7.823 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.979 9.011 -3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.115 9.319 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.240 8.653 -3.835 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.287 4.474 -0.921 1.00 0.00 N ATOM 1231 CA ARG A 84 -4.974 3.573 0.043 1.00 0.00 C ATOM 1232 C ARG A 84 -4.291 3.722 1.430 1.00 0.00 C ATOM 1233 O ARG A 84 -4.921 4.163 2.400 1.00 0.00 O ATOM 1234 CB ARG A 84 -4.925 2.101 -0.457 1.00 0.00 C ATOM 1235 CG ARG A 84 -6.283 1.526 -0.926 1.00 0.00 C ATOM 1236 CD ARG A 84 -6.142 0.563 -2.120 1.00 0.00 C ATOM 1237 NE ARG A 84 -6.970 -0.656 -1.945 1.00 0.00 N ATOM 1238 CZ ARG A 84 -6.520 -1.919 -2.094 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -5.567 -2.208 -2.969 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -7.044 -2.918 -1.397 1.00 0.00 N ATOM 0 H ARG A 84 -4.002 4.007 -1.782 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.025 3.849 0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.215 2.036 -1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -4.539 1.473 0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.757 1.002 -0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.944 2.347 -1.203 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.437 1.074 -3.036 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.096 0.279 -2.236 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.950 -0.530 -1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.161 -1.469 -3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.240 -3.169 -3.068 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.799 -2.737 -0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.692 -3.867 -1.522 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.010 3.318 1.516 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.252 3.284 2.796 1.00 0.00 C ATOM 1256 C GLN A 85 -2.186 4.723 3.375 1.00 0.00 C ATOM 1257 O GLN A 85 -2.206 4.912 4.598 1.00 0.00 O ATOM 1258 CB GLN A 85 -0.842 2.667 2.568 1.00 0.00 C ATOM 1259 CG GLN A 85 0.321 3.659 2.324 1.00 0.00 C ATOM 1260 CD GLN A 85 1.416 3.635 3.405 1.00 0.00 C ATOM 1261 OE1 GLN A 85 2.608 3.570 3.104 1.00 0.00 O ATOM 1262 NE2 GLN A 85 1.043 3.680 4.675 1.00 0.00 N ATOM 0 H GLN A 85 -2.468 3.006 0.710 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.757 2.649 3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.593 2.058 3.437 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.900 1.994 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 85 0.776 3.436 1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.086 4.668 2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.053 3.734 4.914 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.746 3.661 5.414 1.00 0.00 H new ATOM 1271 N MET A 86 -2.110 5.726 2.481 1.00 0.00 N ATOM 1272 CA MET A 86 -1.934 7.152 2.866 1.00 0.00 C ATOM 1273 C MET A 86 -3.128 7.559 3.772 1.00 0.00 C ATOM 1274 O MET A 86 -2.967 8.349 4.711 1.00 0.00 O ATOM 1275 CB MET A 86 -1.807 8.065 1.614 1.00 0.00 C ATOM 1276 CG MET A 86 -0.444 8.757 1.424 1.00 0.00 C ATOM 1277 SD MET A 86 -0.686 10.477 0.926 1.00 0.00 S ATOM 1278 CE MET A 86 -1.730 10.279 -0.532 1.00 0.00 C ATOM 0 H MET A 86 -2.168 5.579 1.473 1.00 0.00 H new ATOM 0 HA MET A 86 -1.004 7.278 3.421 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.015 7.465 0.728 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.579 8.833 1.668 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.126 8.716 2.352 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.138 8.230 0.668 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.845 11.242 -1.030 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.267 9.569 -1.217 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.709 9.907 -0.231 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.322 7.014 3.471 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.587 7.383 4.162 1.00 0.00 C ATOM 1290 C LYS A 87 -5.474 6.977 5.656 1.00 0.00 C ATOM 1291 O LYS A 87 -5.846 7.750 6.549 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.823 6.691 3.519 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.199 5.313 4.111 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.181 4.482 3.258 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.374 5.274 2.686 1.00 0.00 C ATOM 1296 NZ LYS A 87 -10.549 4.408 2.486 1.00 0.00 N ATOM 0 H LYS A 87 -4.444 6.307 2.746 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.732 8.459 4.067 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.681 7.355 3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.635 6.569 2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.286 4.735 4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.637 5.466 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.631 4.033 2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.565 3.663 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.631 6.087 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.089 5.728 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.334 4.971 2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.309 3.646 1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.834 3.994 3.397 1.00 0.00 H new