USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 622 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 TYR OH : rot 6:sc= -0.987 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 14 GLN : amide:sc= -0.292 K(o=-0.29,f=-1.4!) USER MOD Single : A 15 SER OG : rot -135:sc= 0.242 USER MOD Single : A 19 GLN : amide:sc= -2.46! K(o=-2.5!,f=-1) USER MOD Single : A 24 LYS NZ :NH3+ 137:sc= -1.67 (180deg=-5.79!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 30:sc= -1.35! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 159:sc= -0.0599 (180deg=-1.07) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.0725 K(o=-0.072,f=-3.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -3.555 11.514 5.352 1.00 0.00 N ATOM 19 CA ARG A 2 -4.499 10.684 6.154 1.00 0.00 C ATOM 20 C ARG A 2 -4.021 9.230 6.163 1.00 0.00 C ATOM 21 O ARG A 2 -3.129 8.858 5.422 1.00 0.00 O ATOM 22 CB ARG A 2 -5.897 10.759 5.536 1.00 0.00 C ATOM 23 CG ARG A 2 -6.627 11.994 6.067 1.00 0.00 C ATOM 24 CD ARG A 2 -6.364 13.182 5.141 1.00 0.00 C ATOM 25 NE ARG A 2 -7.551 14.094 5.145 1.00 0.00 N ATOM 26 CZ ARG A 2 -8.649 13.798 4.477 1.00 0.00 C ATOM 27 NH1 ARG A 2 -8.750 12.691 3.778 1.00 0.00 N ATOM 28 NH2 ARG A 2 -9.658 14.625 4.511 1.00 0.00 N ATOM 0 HA ARG A 2 -4.534 11.060 7.176 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.823 10.807 4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.461 9.858 5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.697 11.798 6.129 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.287 12.224 7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.476 13.723 5.469 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.166 12.830 4.128 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.510 14.964 5.676 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.968 12.037 3.743 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.610 12.485 3.270 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.592 15.489 5.050 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.513 14.408 3.999 1.00 0.00 H new ATOM 42 N LEU A 3 -4.605 8.409 6.999 1.00 0.00 N ATOM 43 CA LEU A 3 -4.189 6.978 7.068 1.00 0.00 C ATOM 44 C LEU A 3 -5.238 6.099 6.383 1.00 0.00 C ATOM 45 O LEU A 3 -6.123 5.561 7.024 1.00 0.00 O ATOM 46 CB LEU A 3 -4.047 6.557 8.533 1.00 0.00 C ATOM 47 CG LEU A 3 -2.765 7.155 9.116 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.939 8.664 9.293 1.00 0.00 C ATOM 49 CD2 LEU A 3 -2.472 6.512 10.475 1.00 0.00 C ATOM 0 H LEU A 3 -5.355 8.671 7.639 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.232 6.857 6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.911 6.896 9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.021 5.470 8.609 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.935 6.963 8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.025 9.089 9.708 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.146 9.122 8.326 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.770 8.857 9.971 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.559 6.938 10.890 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.303 6.703 11.154 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.346 5.437 10.349 1.00 0.00 H new ATOM 61 N PHE A 4 -5.141 5.948 5.085 1.00 0.00 N ATOM 62 CA PHE A 4 -6.124 5.101 4.346 1.00 0.00 C ATOM 63 C PHE A 4 -5.662 3.642 4.392 1.00 0.00 C ATOM 64 O PHE A 4 -4.489 3.364 4.565 1.00 0.00 O ATOM 65 CB PHE A 4 -6.202 5.561 2.887 1.00 0.00 C ATOM 66 CG PHE A 4 -7.147 6.735 2.772 1.00 0.00 C ATOM 67 CD1 PHE A 4 -6.859 7.935 3.431 1.00 0.00 C ATOM 68 CD2 PHE A 4 -8.310 6.623 2.001 1.00 0.00 C ATOM 69 CE1 PHE A 4 -7.735 9.023 3.320 1.00 0.00 C ATOM 70 CE2 PHE A 4 -9.186 7.710 1.889 1.00 0.00 C ATOM 71 CZ PHE A 4 -8.897 8.910 2.549 1.00 0.00 C ATOM 0 H PHE A 4 -4.420 6.377 4.505 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.107 5.193 4.808 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.211 5.843 2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.546 4.742 2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.961 8.023 4.025 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.532 5.697 1.492 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.513 9.949 3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.083 7.622 1.294 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.571 9.749 2.463 1.00 0.00 H new ATOM 81 N GLY A 5 -6.572 2.712 4.243 1.00 0.00 N ATOM 82 CA GLY A 5 -6.181 1.270 4.282 1.00 0.00 C ATOM 83 C GLY A 5 -7.018 0.469 3.283 1.00 0.00 C ATOM 84 O GLY A 5 -8.232 0.442 3.352 1.00 0.00 O ATOM 0 H GLY A 5 -7.566 2.888 4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.122 1.166 4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.324 0.874 5.287 1.00 0.00 H new ATOM 88 N TYR A 6 -6.368 -0.191 2.358 1.00 0.00 N ATOM 89 CA TYR A 6 -7.098 -1.009 1.346 1.00 0.00 C ATOM 90 C TYR A 6 -7.203 -2.452 1.852 1.00 0.00 C ATOM 91 O TYR A 6 -6.258 -2.987 2.403 1.00 0.00 O ATOM 92 CB TYR A 6 -6.313 -0.981 0.032 1.00 0.00 C ATOM 93 CG TYR A 6 -7.075 -1.715 -1.045 1.00 0.00 C ATOM 94 CD1 TYR A 6 -8.373 -1.316 -1.383 1.00 0.00 C ATOM 95 CD2 TYR A 6 -6.478 -2.793 -1.709 1.00 0.00 C ATOM 96 CE1 TYR A 6 -9.073 -1.995 -2.386 1.00 0.00 C ATOM 97 CE2 TYR A 6 -7.179 -3.474 -2.711 1.00 0.00 C ATOM 98 CZ TYR A 6 -8.477 -3.075 -3.050 1.00 0.00 C ATOM 99 OH TYR A 6 -9.167 -3.744 -4.042 1.00 0.00 O ATOM 0 H TYR A 6 -5.353 -0.197 2.261 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.098 -0.607 1.185 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.139 0.050 -0.274 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.335 -1.441 0.174 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.834 -0.485 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.476 -3.099 -1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.074 -1.686 -2.649 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.719 -4.307 -3.222 1.00 0.00 H new ATOM 0 HH TYR A 6 -10.012 -3.282 -4.221 1.00 0.00 H new ATOM 109 N ALA A 7 -8.339 -3.084 1.678 1.00 0.00 N ATOM 110 CA ALA A 7 -8.491 -4.490 2.163 1.00 0.00 C ATOM 111 C ALA A 7 -9.421 -5.280 1.238 1.00 0.00 C ATOM 112 O ALA A 7 -10.605 -5.016 1.164 1.00 0.00 O ATOM 113 CB ALA A 7 -9.081 -4.479 3.575 1.00 0.00 C ATOM 0 H ALA A 7 -9.162 -2.689 1.224 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.510 -4.965 2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.193 -5.503 3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.415 -3.933 4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.056 -3.992 3.558 1.00 0.00 H new ATOM 119 N ARG A 8 -8.893 -6.262 0.550 1.00 0.00 N ATOM 120 CA ARG A 8 -9.739 -7.095 -0.354 1.00 0.00 C ATOM 121 C ARG A 8 -9.916 -8.474 0.288 1.00 0.00 C ATOM 122 O ARG A 8 -9.012 -9.287 0.284 1.00 0.00 O ATOM 123 CB ARG A 8 -9.056 -7.232 -1.725 1.00 0.00 C ATOM 124 CG ARG A 8 -9.962 -6.644 -2.811 1.00 0.00 C ATOM 125 CD ARG A 8 -9.733 -7.375 -4.133 1.00 0.00 C ATOM 126 NE ARG A 8 -8.440 -6.925 -4.740 1.00 0.00 N ATOM 127 CZ ARG A 8 -8.179 -7.110 -6.020 1.00 0.00 C ATOM 128 NH1 ARG A 8 -9.035 -7.704 -6.818 1.00 0.00 N ATOM 129 NH2 ARG A 8 -7.041 -6.694 -6.505 1.00 0.00 N ATOM 0 H ARG A 8 -7.907 -6.522 0.577 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.712 -6.626 -0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.097 -6.715 -1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.851 -8.281 -1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.007 -6.733 -2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.755 -5.581 -2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.712 -8.452 -3.966 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.557 -7.175 -4.818 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.746 -6.465 -4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.928 -8.036 -6.452 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.808 -7.834 -7.804 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.366 -6.232 -5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.827 -6.831 -7.493 1.00 0.00 H new ATOM 143 N VAL A 9 -11.067 -8.732 0.860 1.00 0.00 N ATOM 144 CA VAL A 9 -11.308 -10.048 1.535 1.00 0.00 C ATOM 145 C VAL A 9 -10.981 -11.211 0.594 1.00 0.00 C ATOM 146 O VAL A 9 -10.852 -11.041 -0.604 1.00 0.00 O ATOM 147 CB VAL A 9 -12.773 -10.147 1.964 1.00 0.00 C ATOM 148 CG1 VAL A 9 -13.075 -9.067 3.001 1.00 0.00 C ATOM 149 CG2 VAL A 9 -13.681 -9.948 0.751 1.00 0.00 C ATOM 0 H VAL A 9 -11.855 -8.085 0.889 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.659 -10.108 2.408 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.954 -11.132 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.119 -9.138 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.432 -9.207 3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.890 -8.084 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.723 -10.019 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.498 -8.965 0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.470 -10.718 0.008 1.00 0.00 H new ATOM 159 N SER A 10 -10.853 -12.391 1.141 1.00 0.00 N ATOM 160 CA SER A 10 -10.539 -13.582 0.306 1.00 0.00 C ATOM 161 C SER A 10 -11.423 -14.754 0.745 1.00 0.00 C ATOM 162 O SER A 10 -11.985 -15.457 -0.073 1.00 0.00 O ATOM 163 CB SER A 10 -9.066 -13.958 0.485 1.00 0.00 C ATOM 164 OG SER A 10 -8.571 -14.508 -0.730 1.00 0.00 O ATOM 0 H SER A 10 -10.954 -12.580 2.138 1.00 0.00 H new ATOM 0 HA SER A 10 -10.729 -13.354 -0.743 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.485 -13.078 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.959 -14.680 1.295 1.00 0.00 H new ATOM 0 HG SER A 10 -7.627 -14.748 -0.620 1.00 0.00 H new ATOM 170 N THR A 11 -11.551 -14.965 2.034 1.00 0.00 N ATOM 171 CA THR A 11 -12.397 -16.088 2.534 1.00 0.00 C ATOM 172 C THR A 11 -13.855 -15.629 2.633 1.00 0.00 C ATOM 173 O THR A 11 -14.145 -14.449 2.606 1.00 0.00 O ATOM 174 CB THR A 11 -11.895 -16.538 3.913 1.00 0.00 C ATOM 175 OG1 THR A 11 -12.740 -17.568 4.412 1.00 0.00 O ATOM 176 CG2 THR A 11 -11.900 -15.354 4.885 1.00 0.00 C ATOM 0 H THR A 11 -11.104 -14.405 2.760 1.00 0.00 H new ATOM 0 HA THR A 11 -12.333 -16.926 1.840 1.00 0.00 H new ATOM 0 HB THR A 11 -10.877 -16.915 3.817 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.419 -17.857 5.292 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.542 -15.683 5.861 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.247 -14.568 4.505 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.914 -14.967 4.982 1.00 0.00 H new ATOM 184 N SER A 12 -14.773 -16.557 2.745 1.00 0.00 N ATOM 185 CA SER A 12 -16.217 -16.185 2.844 1.00 0.00 C ATOM 186 C SER A 12 -16.725 -16.472 4.258 1.00 0.00 C ATOM 187 O SER A 12 -17.211 -17.550 4.543 1.00 0.00 O ATOM 188 CB SER A 12 -17.025 -17.004 1.837 1.00 0.00 C ATOM 189 OG SER A 12 -16.667 -16.614 0.518 1.00 0.00 O ATOM 0 H SER A 12 -14.583 -17.559 2.772 1.00 0.00 H new ATOM 0 HA SER A 12 -16.332 -15.123 2.626 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.833 -18.068 1.979 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.092 -16.849 1.997 1.00 0.00 H new ATOM 0 HG SER A 12 -17.182 -17.139 -0.130 1.00 0.00 H new ATOM 195 N GLN A 13 -16.618 -15.511 5.142 1.00 0.00 N ATOM 196 CA GLN A 13 -17.097 -15.716 6.540 1.00 0.00 C ATOM 197 C GLN A 13 -16.922 -14.420 7.334 1.00 0.00 C ATOM 198 O GLN A 13 -17.862 -13.902 7.906 1.00 0.00 O ATOM 199 CB GLN A 13 -16.283 -16.833 7.200 1.00 0.00 C ATOM 200 CG GLN A 13 -17.101 -17.462 8.329 1.00 0.00 C ATOM 201 CD GLN A 13 -16.425 -18.754 8.792 1.00 0.00 C ATOM 202 OE1 GLN A 13 -16.118 -19.613 7.990 1.00 0.00 O ATOM 203 NE2 GLN A 13 -16.180 -18.928 10.062 1.00 0.00 N ATOM 0 H GLN A 13 -16.218 -14.592 4.953 1.00 0.00 H new ATOM 0 HA GLN A 13 -18.151 -15.994 6.526 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.020 -17.591 6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -15.348 -16.433 7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.186 -16.765 9.163 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -18.114 -17.672 7.985 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.438 -18.206 10.735 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.730 -19.786 10.382 1.00 0.00 H new ATOM 212 N GLN A 14 -15.724 -13.895 7.370 1.00 0.00 N ATOM 213 CA GLN A 14 -15.474 -12.631 8.123 1.00 0.00 C ATOM 214 C GLN A 14 -14.093 -12.082 7.755 1.00 0.00 C ATOM 215 O GLN A 14 -13.414 -11.489 8.570 1.00 0.00 O ATOM 216 CB GLN A 14 -15.532 -12.910 9.628 1.00 0.00 C ATOM 217 CG GLN A 14 -14.545 -14.023 9.988 1.00 0.00 C ATOM 218 CD GLN A 14 -15.106 -14.846 11.149 1.00 0.00 C ATOM 219 OE1 GLN A 14 -16.298 -15.075 11.228 1.00 0.00 O ATOM 220 NE2 GLN A 14 -14.293 -15.307 12.061 1.00 0.00 N ATOM 0 H GLN A 14 -14.905 -14.290 6.908 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.237 -11.897 7.863 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.291 -12.004 10.184 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.543 -13.201 9.914 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.372 -14.664 9.124 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.582 -13.594 10.264 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.293 -15.116 11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.658 -15.858 12.838 1.00 0.00 H new ATOM 229 N SER A 15 -13.677 -12.280 6.529 1.00 0.00 N ATOM 230 CA SER A 15 -12.339 -11.780 6.087 1.00 0.00 C ATOM 231 C SER A 15 -12.278 -10.259 6.236 1.00 0.00 C ATOM 232 O SER A 15 -11.322 -9.717 6.754 1.00 0.00 O ATOM 233 CB SER A 15 -12.099 -12.158 4.617 1.00 0.00 C ATOM 234 OG SER A 15 -13.318 -12.592 4.028 1.00 0.00 O ATOM 0 H SER A 15 -14.211 -12.770 5.811 1.00 0.00 H new ATOM 0 HA SER A 15 -11.569 -12.237 6.708 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.705 -11.301 4.071 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.351 -12.948 4.552 1.00 0.00 H new ATOM 0 HG SER A 15 -13.156 -13.401 3.499 1.00 0.00 H new ATOM 240 N LEU A 16 -13.295 -9.567 5.782 1.00 0.00 N ATOM 241 CA LEU A 16 -13.313 -8.073 5.883 1.00 0.00 C ATOM 242 C LEU A 16 -13.025 -7.650 7.335 1.00 0.00 C ATOM 243 O LEU A 16 -12.262 -6.736 7.580 1.00 0.00 O ATOM 244 CB LEU A 16 -14.696 -7.563 5.420 1.00 0.00 C ATOM 245 CG LEU A 16 -14.895 -6.085 5.793 1.00 0.00 C ATOM 246 CD1 LEU A 16 -15.629 -5.361 4.663 1.00 0.00 C ATOM 247 CD2 LEU A 16 -15.722 -5.991 7.077 1.00 0.00 C ATOM 0 H LEU A 16 -14.120 -9.976 5.343 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.543 -7.638 5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.789 -7.684 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.481 -8.165 5.877 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.922 -5.619 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.768 -4.314 4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.041 -5.426 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.602 -5.827 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -15.864 -4.943 7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -16.693 -6.460 6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.199 -6.503 7.885 1.00 0.00 H new ATOM 259 N ASP A 17 -13.623 -8.315 8.286 1.00 0.00 N ATOM 260 CA ASP A 17 -13.382 -7.959 9.713 1.00 0.00 C ATOM 261 C ASP A 17 -11.923 -8.246 10.069 1.00 0.00 C ATOM 262 O ASP A 17 -11.269 -7.461 10.729 1.00 0.00 O ATOM 263 CB ASP A 17 -14.303 -8.799 10.601 1.00 0.00 C ATOM 264 CG ASP A 17 -14.797 -7.953 11.777 1.00 0.00 C ATOM 265 OD1 ASP A 17 -13.969 -7.542 12.574 1.00 0.00 O ATOM 266 OD2 ASP A 17 -15.994 -7.730 11.859 1.00 0.00 O ATOM 0 H ASP A 17 -14.269 -9.090 8.136 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.589 -6.900 9.870 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.151 -9.163 10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.769 -9.675 10.969 1.00 0.00 H new ATOM 271 N ILE A 18 -11.414 -9.370 9.640 1.00 0.00 N ATOM 272 CA ILE A 18 -10.000 -9.734 9.948 1.00 0.00 C ATOM 273 C ILE A 18 -9.042 -8.763 9.244 1.00 0.00 C ATOM 274 O ILE A 18 -7.997 -8.430 9.773 1.00 0.00 O ATOM 275 CB ILE A 18 -9.725 -11.166 9.468 1.00 0.00 C ATOM 276 CG1 ILE A 18 -10.755 -12.126 10.078 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.320 -11.589 9.906 1.00 0.00 C ATOM 278 CD1 ILE A 18 -11.064 -13.258 9.090 1.00 0.00 C ATOM 0 H ILE A 18 -11.922 -10.058 9.084 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.841 -9.672 11.025 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.798 -11.200 8.381 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.371 -12.540 11.010 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.669 -11.585 10.322 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.123 -12.606 9.566 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.584 -10.912 9.471 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.251 -11.550 10.993 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.796 -13.935 9.530 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.467 -12.837 8.169 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.149 -13.807 8.868 1.00 0.00 H new ATOM 290 N GLN A 19 -9.381 -8.312 8.060 1.00 0.00 N ATOM 291 CA GLN A 19 -8.473 -7.368 7.328 1.00 0.00 C ATOM 292 C GLN A 19 -8.518 -5.985 7.979 1.00 0.00 C ATOM 293 O GLN A 19 -7.488 -5.403 8.261 1.00 0.00 O ATOM 294 CB GLN A 19 -8.867 -7.245 5.845 1.00 0.00 C ATOM 295 CG GLN A 19 -9.309 -8.605 5.277 1.00 0.00 C ATOM 296 CD GLN A 19 -8.432 -8.976 4.078 1.00 0.00 C ATOM 297 OE1 GLN A 19 -7.402 -9.601 4.233 1.00 0.00 O ATOM 298 NE2 GLN A 19 -8.797 -8.606 2.885 1.00 0.00 N ATOM 0 H GLN A 19 -10.242 -8.554 7.570 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.462 -7.771 7.385 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.676 -6.522 5.739 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.022 -6.864 5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.233 -9.373 6.047 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.355 -8.560 4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.662 -8.081 2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.218 -8.841 2.079 1.00 0.00 H new ATOM 307 N VAL A 20 -9.695 -5.451 8.231 1.00 0.00 N ATOM 308 CA VAL A 20 -9.794 -4.097 8.877 1.00 0.00 C ATOM 309 C VAL A 20 -8.938 -4.088 10.156 1.00 0.00 C ATOM 310 O VAL A 20 -8.207 -3.153 10.420 1.00 0.00 O ATOM 311 CB VAL A 20 -11.268 -3.801 9.212 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.385 -2.517 10.046 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.057 -3.620 7.910 1.00 0.00 C ATOM 0 H VAL A 20 -10.589 -5.893 8.018 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.427 -3.327 8.199 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.669 -4.636 9.786 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.434 -2.325 10.273 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.829 -2.635 10.976 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.976 -1.679 9.482 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.101 -3.410 8.143 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.638 -2.789 7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.994 -4.532 7.317 1.00 0.00 H new ATOM 323 N ARG A 21 -9.012 -5.142 10.923 1.00 0.00 N ATOM 324 CA ARG A 21 -8.188 -5.232 12.165 1.00 0.00 C ATOM 325 C ARG A 21 -6.715 -5.256 11.754 1.00 0.00 C ATOM 326 O ARG A 21 -5.859 -4.715 12.428 1.00 0.00 O ATOM 327 CB ARG A 21 -8.523 -6.523 12.926 1.00 0.00 C ATOM 328 CG ARG A 21 -10.047 -6.696 13.055 1.00 0.00 C ATOM 329 CD ARG A 21 -10.476 -6.473 14.507 1.00 0.00 C ATOM 330 NE ARG A 21 -10.640 -5.009 14.761 1.00 0.00 N ATOM 331 CZ ARG A 21 -10.886 -4.545 15.971 1.00 0.00 C ATOM 332 NH1 ARG A 21 -10.996 -5.346 17.005 1.00 0.00 N ATOM 333 NH2 ARG A 21 -11.023 -3.259 16.146 1.00 0.00 N ATOM 0 H ARG A 21 -9.610 -5.948 10.743 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.395 -4.380 12.812 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.097 -7.380 12.404 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.070 -6.496 13.917 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.559 -5.988 12.403 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.337 -7.695 12.730 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.413 -6.994 14.704 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.731 -6.889 15.185 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.560 -4.355 13.982 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.891 -6.353 16.883 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.187 -4.961 17.930 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.940 -2.624 15.352 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.213 -2.888 17.077 1.00 0.00 H new ATOM 347 N ALA A 22 -6.426 -5.867 10.631 1.00 0.00 N ATOM 348 CA ALA A 22 -5.022 -5.923 10.137 1.00 0.00 C ATOM 349 C ALA A 22 -4.610 -4.521 9.684 1.00 0.00 C ATOM 350 O ALA A 22 -3.472 -4.118 9.831 1.00 0.00 O ATOM 351 CB ALA A 22 -4.937 -6.894 8.956 1.00 0.00 C ATOM 0 H ALA A 22 -7.110 -6.332 10.034 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.357 -6.267 10.929 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.910 -6.936 8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.249 -7.887 9.278 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.591 -6.550 8.155 1.00 0.00 H new ATOM 357 N LEU A 23 -5.540 -3.771 9.142 1.00 0.00 N ATOM 358 CA LEU A 23 -5.225 -2.386 8.686 1.00 0.00 C ATOM 359 C LEU A 23 -5.081 -1.485 9.910 1.00 0.00 C ATOM 360 O LEU A 23 -4.125 -0.742 10.037 1.00 0.00 O ATOM 361 CB LEU A 23 -6.358 -1.860 7.798 1.00 0.00 C ATOM 362 CG LEU A 23 -6.544 -2.779 6.586 1.00 0.00 C ATOM 363 CD1 LEU A 23 -7.724 -2.283 5.746 1.00 0.00 C ATOM 364 CD2 LEU A 23 -5.275 -2.769 5.731 1.00 0.00 C ATOM 0 H LEU A 23 -6.507 -4.063 8.997 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.297 -2.391 8.114 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.284 -1.807 8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.130 -0.847 7.465 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.740 -3.794 6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.857 -2.936 4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.631 -2.292 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.526 -1.267 5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.411 -3.424 4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.076 -1.754 5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.433 -3.122 6.326 1.00 0.00 H new ATOM 376 N LYS A 24 -6.026 -1.549 10.820 1.00 0.00 N ATOM 377 CA LYS A 24 -5.953 -0.703 12.052 1.00 0.00 C ATOM 378 C LYS A 24 -4.662 -1.032 12.804 1.00 0.00 C ATOM 379 O LYS A 24 -3.943 -0.151 13.235 1.00 0.00 O ATOM 380 CB LYS A 24 -7.170 -0.996 12.944 1.00 0.00 C ATOM 381 CG LYS A 24 -8.027 0.263 13.089 1.00 0.00 C ATOM 382 CD LYS A 24 -8.791 0.517 11.788 1.00 0.00 C ATOM 383 CE LYS A 24 -9.986 -0.436 11.701 1.00 0.00 C ATOM 384 NZ LYS A 24 -10.819 -0.308 12.931 1.00 0.00 N ATOM 0 H LYS A 24 -6.846 -2.153 10.761 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.957 0.353 11.782 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.763 -1.802 12.511 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.839 -1.336 13.925 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.727 0.145 13.916 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.396 1.120 13.325 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.134 1.551 11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.132 0.369 10.932 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.584 -0.206 10.819 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.638 -1.463 11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.825 -0.294 12.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.636 -1.116 13.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.578 0.576 13.423 1.00 0.00 H new ATOM 398 N ASP A 25 -4.354 -2.298 12.936 1.00 0.00 N ATOM 399 CA ASP A 25 -3.100 -2.701 13.624 1.00 0.00 C ATOM 400 C ASP A 25 -1.914 -2.120 12.854 1.00 0.00 C ATOM 401 O ASP A 25 -0.897 -1.764 13.419 1.00 0.00 O ATOM 402 CB ASP A 25 -3.003 -4.226 13.620 1.00 0.00 C ATOM 403 CG ASP A 25 -2.175 -4.694 14.817 1.00 0.00 C ATOM 404 OD1 ASP A 25 -2.674 -4.614 15.927 1.00 0.00 O ATOM 405 OD2 ASP A 25 -1.052 -5.124 14.603 1.00 0.00 O ATOM 0 H ASP A 25 -4.924 -3.071 12.593 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.095 -2.334 14.650 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.001 -4.663 13.663 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.544 -4.568 12.692 1.00 0.00 H new ATOM 410 N ALA A 26 -2.059 -2.021 11.560 1.00 0.00 N ATOM 411 CA ALA A 26 -0.978 -1.463 10.708 1.00 0.00 C ATOM 412 C ALA A 26 -0.899 0.051 10.912 1.00 0.00 C ATOM 413 O ALA A 26 0.158 0.645 10.804 1.00 0.00 O ATOM 414 CB ALA A 26 -1.314 -1.760 9.248 1.00 0.00 C ATOM 0 H ALA A 26 -2.896 -2.309 11.052 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.021 -1.911 10.974 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.531 -1.358 8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.384 -2.838 9.103 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.267 -1.297 8.992 1.00 0.00 H new ATOM 420 N GLY A 27 -2.013 0.677 11.194 1.00 0.00 N ATOM 421 CA GLY A 27 -2.018 2.156 11.394 1.00 0.00 C ATOM 422 C GLY A 27 -3.032 2.774 10.437 1.00 0.00 C ATOM 423 O GLY A 27 -2.767 3.763 9.781 1.00 0.00 O ATOM 0 H GLY A 27 -2.922 0.225 11.294 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.276 2.397 12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.025 2.566 11.209 1.00 0.00 H new ATOM 427 N VAL A 28 -4.192 2.181 10.347 1.00 0.00 N ATOM 428 CA VAL A 28 -5.243 2.699 9.434 1.00 0.00 C ATOM 429 C VAL A 28 -6.462 3.123 10.264 1.00 0.00 C ATOM 430 O VAL A 28 -6.777 2.519 11.270 1.00 0.00 O ATOM 431 CB VAL A 28 -5.620 1.581 8.444 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.814 1.997 7.577 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.426 1.292 7.537 1.00 0.00 C ATOM 0 H VAL A 28 -4.456 1.349 10.875 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.883 3.565 8.878 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.893 0.692 9.013 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.061 1.191 6.886 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.673 2.203 8.216 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.558 2.893 7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.686 0.501 6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.161 2.194 6.986 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.578 0.974 8.143 1.00 0.00 H new ATOM 443 N LYS A 29 -7.143 4.158 9.841 1.00 0.00 N ATOM 444 CA LYS A 29 -8.343 4.629 10.593 1.00 0.00 C ATOM 445 C LYS A 29 -9.567 3.827 10.142 1.00 0.00 C ATOM 446 O LYS A 29 -9.717 3.515 8.975 1.00 0.00 O ATOM 447 CB LYS A 29 -8.566 6.120 10.306 1.00 0.00 C ATOM 448 CG LYS A 29 -8.117 6.950 11.512 1.00 0.00 C ATOM 449 CD LYS A 29 -7.663 8.333 11.039 1.00 0.00 C ATOM 450 CE LYS A 29 -8.019 9.377 12.100 1.00 0.00 C ATOM 451 NZ LYS A 29 -7.176 10.589 11.907 1.00 0.00 N ATOM 0 H LYS A 29 -6.918 4.698 9.005 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.190 4.485 11.663 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.006 6.417 9.419 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.619 6.306 10.096 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.936 7.048 12.225 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.302 6.446 12.031 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.588 8.333 10.860 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.144 8.582 10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.074 9.640 12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.861 8.966 13.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.418 11.298 12.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.172 10.332 11.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.348 10.985 10.961 1.00 0.00 H new ATOM 465 N ALA A 30 -10.444 3.491 11.059 1.00 0.00 N ATOM 466 CA ALA A 30 -11.660 2.709 10.684 1.00 0.00 C ATOM 467 C ALA A 30 -12.511 3.531 9.715 1.00 0.00 C ATOM 468 O ALA A 30 -13.167 2.994 8.841 1.00 0.00 O ATOM 469 CB ALA A 30 -12.476 2.386 11.935 1.00 0.00 C ATOM 0 H ALA A 30 -10.368 3.725 12.049 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.357 1.777 10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.361 1.816 11.655 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.869 1.798 12.624 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.780 3.313 12.420 1.00 0.00 H new ATOM 475 N ASN A 31 -12.494 4.830 9.860 1.00 0.00 N ATOM 476 CA ASN A 31 -13.282 5.700 8.948 1.00 0.00 C ATOM 477 C ASN A 31 -12.654 5.672 7.548 1.00 0.00 C ATOM 478 O ASN A 31 -13.313 5.932 6.559 1.00 0.00 O ATOM 479 CB ASN A 31 -13.269 7.133 9.496 1.00 0.00 C ATOM 480 CG ASN A 31 -14.698 7.675 9.570 1.00 0.00 C ATOM 481 OD1 ASN A 31 -15.055 8.585 8.849 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.536 7.147 10.421 1.00 0.00 N ATOM 0 H ASN A 31 -11.964 5.325 10.577 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.309 5.342 8.885 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.813 7.149 10.486 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.661 7.771 8.855 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.492 7.499 10.481 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.235 6.383 11.026 1.00 0.00 H new ATOM 489 N ARG A 32 -11.383 5.355 7.459 1.00 0.00 N ATOM 490 CA ARG A 32 -10.705 5.308 6.126 1.00 0.00 C ATOM 491 C ARG A 32 -10.381 3.849 5.784 1.00 0.00 C ATOM 492 O ARG A 32 -9.238 3.484 5.574 1.00 0.00 O ATOM 493 CB ARG A 32 -9.403 6.134 6.154 1.00 0.00 C ATOM 494 CG ARG A 32 -9.566 7.381 7.036 1.00 0.00 C ATOM 495 CD ARG A 32 -8.754 8.542 6.455 1.00 0.00 C ATOM 496 NE ARG A 32 -9.678 9.519 5.800 1.00 0.00 N ATOM 497 CZ ARG A 32 -10.416 10.350 6.512 1.00 0.00 C ATOM 498 NH1 ARG A 32 -10.373 10.358 7.824 1.00 0.00 N ATOM 499 NH2 ARG A 32 -11.206 11.186 5.896 1.00 0.00 N ATOM 0 H ARG A 32 -10.786 5.127 8.254 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.368 5.731 5.371 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.586 5.520 6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.135 6.433 5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.618 7.658 7.098 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.233 7.165 8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.187 9.035 7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.031 8.167 5.731 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.739 9.544 4.782 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.758 9.711 8.318 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.954 11.011 8.349 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.248 11.192 4.877 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.782 11.834 6.434 1.00 0.00 H new ATOM 513 N ILE A 33 -11.386 3.014 5.730 1.00 0.00 N ATOM 514 CA ILE A 33 -11.158 1.574 5.409 1.00 0.00 C ATOM 515 C ILE A 33 -11.784 1.253 4.049 1.00 0.00 C ATOM 516 O ILE A 33 -12.946 0.900 3.959 1.00 0.00 O ATOM 517 CB ILE A 33 -11.805 0.708 6.501 1.00 0.00 C ATOM 518 CG1 ILE A 33 -11.163 1.027 7.858 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.621 -0.783 6.181 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.670 0.679 7.842 1.00 0.00 C ATOM 0 H ILE A 33 -12.360 3.269 5.895 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.089 1.366 5.368 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.872 0.930 6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.293 2.084 8.089 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.665 0.465 8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.085 -1.383 6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.090 -1.010 5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.557 -1.015 6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.232 0.912 8.812 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.546 -0.384 7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.169 1.261 7.069 1.00 0.00 H new ATOM 532 N PHE A 34 -11.018 1.359 2.993 1.00 0.00 N ATOM 533 CA PHE A 34 -11.558 1.049 1.638 1.00 0.00 C ATOM 534 C PHE A 34 -11.513 -0.465 1.421 1.00 0.00 C ATOM 535 O PHE A 34 -10.661 -0.980 0.719 1.00 0.00 O ATOM 536 CB PHE A 34 -10.713 1.755 0.575 1.00 0.00 C ATOM 537 CG PHE A 34 -11.115 3.209 0.508 1.00 0.00 C ATOM 538 CD1 PHE A 34 -10.839 4.061 1.584 1.00 0.00 C ATOM 539 CD2 PHE A 34 -11.765 3.705 -0.629 1.00 0.00 C ATOM 540 CE1 PHE A 34 -11.213 5.407 1.524 1.00 0.00 C ATOM 541 CE2 PHE A 34 -12.139 5.053 -0.688 1.00 0.00 C ATOM 542 CZ PHE A 34 -11.865 5.904 0.388 1.00 0.00 C ATOM 0 H PHE A 34 -10.040 1.648 3.013 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.587 1.398 1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.654 1.669 0.818 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.857 1.280 -0.396 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.337 3.679 2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.978 3.048 -1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.999 6.064 2.354 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.639 5.436 -1.565 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.156 6.943 0.343 1.00 0.00 H new ATOM 552 N THR A 35 -12.424 -1.179 2.032 1.00 0.00 N ATOM 553 CA THR A 35 -12.448 -2.662 1.882 1.00 0.00 C ATOM 554 C THR A 35 -13.225 -3.042 0.621 1.00 0.00 C ATOM 555 O THR A 35 -14.210 -2.417 0.275 1.00 0.00 O ATOM 556 CB THR A 35 -13.121 -3.288 3.110 1.00 0.00 C ATOM 557 OG1 THR A 35 -13.182 -4.699 2.941 1.00 0.00 O ATOM 558 CG2 THR A 35 -14.541 -2.734 3.278 1.00 0.00 C ATOM 0 H THR A 35 -13.155 -0.795 2.631 1.00 0.00 H new ATOM 0 HA THR A 35 -11.427 -3.033 1.798 1.00 0.00 H new ATOM 0 HB THR A 35 -12.539 -3.044 3.999 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.428 -4.995 2.389 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.007 -3.187 4.153 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.497 -1.653 3.409 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.130 -2.968 2.391 1.00 0.00 H new ATOM 566 N ASP A 36 -12.787 -4.066 -0.064 1.00 0.00 N ATOM 567 CA ASP A 36 -13.487 -4.504 -1.302 1.00 0.00 C ATOM 568 C ASP A 36 -14.007 -5.927 -1.102 1.00 0.00 C ATOM 569 O ASP A 36 -13.243 -6.872 -1.035 1.00 0.00 O ATOM 570 CB ASP A 36 -12.496 -4.466 -2.463 1.00 0.00 C ATOM 571 CG ASP A 36 -12.293 -3.013 -2.899 1.00 0.00 C ATOM 572 OD1 ASP A 36 -12.204 -2.164 -2.029 1.00 0.00 O ATOM 573 OD2 ASP A 36 -12.233 -2.775 -4.092 1.00 0.00 O ATOM 0 H ASP A 36 -11.968 -4.620 0.185 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.327 -3.844 -1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.545 -4.904 -2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.870 -5.060 -3.297 1.00 0.00 H new ATOM 578 N LYS A 37 -15.303 -6.085 -0.985 1.00 0.00 N ATOM 579 CA LYS A 37 -15.880 -7.447 -0.769 1.00 0.00 C ATOM 580 C LYS A 37 -15.642 -8.318 -2.004 1.00 0.00 C ATOM 581 O LYS A 37 -16.512 -8.488 -2.836 1.00 0.00 O ATOM 582 CB LYS A 37 -17.385 -7.332 -0.500 1.00 0.00 C ATOM 583 CG LYS A 37 -17.628 -6.399 0.691 1.00 0.00 C ATOM 584 CD LYS A 37 -17.097 -7.040 1.985 1.00 0.00 C ATOM 585 CE LYS A 37 -18.266 -7.490 2.869 1.00 0.00 C ATOM 586 NZ LYS A 37 -18.003 -8.865 3.377 1.00 0.00 N ATOM 0 H LYS A 37 -15.986 -5.329 -1.030 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.393 -7.908 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.894 -6.948 -1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.803 -8.317 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.133 -5.443 0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.694 -6.193 0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.464 -7.894 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.476 -6.326 2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.391 -6.800 3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.195 -7.473 2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.796 -9.171 3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.904 -9.519 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.126 -8.867 3.935 1.00 0.00 H new ATOM 600 N ALA A 38 -14.467 -8.881 -2.116 1.00 0.00 N ATOM 601 CA ALA A 38 -14.148 -9.757 -3.274 1.00 0.00 C ATOM 602 C ALA A 38 -14.777 -11.129 -3.031 1.00 0.00 C ATOM 603 O ALA A 38 -14.096 -12.119 -2.840 1.00 0.00 O ATOM 604 CB ALA A 38 -12.627 -9.900 -3.401 1.00 0.00 C ATOM 0 H ALA A 38 -13.708 -8.767 -1.444 1.00 0.00 H new ATOM 0 HA ALA A 38 -14.542 -9.325 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.392 -10.542 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.181 -8.917 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.226 -10.342 -2.489 1.00 0.00 H new ATOM 661 N ASP A 44 -15.226 -7.146 -5.854 1.00 0.00 N ATOM 662 CA ASP A 44 -15.777 -5.794 -5.561 1.00 0.00 C ATOM 663 C ASP A 44 -14.656 -4.749 -5.623 1.00 0.00 C ATOM 664 O ASP A 44 -14.350 -4.096 -4.643 1.00 0.00 O ATOM 665 CB ASP A 44 -16.415 -5.789 -4.169 1.00 0.00 C ATOM 666 CG ASP A 44 -17.774 -6.491 -4.227 1.00 0.00 C ATOM 667 OD1 ASP A 44 -17.847 -7.549 -4.829 1.00 0.00 O ATOM 668 OD2 ASP A 44 -18.719 -5.956 -3.671 1.00 0.00 O ATOM 0 HA ASP A 44 -16.534 -5.547 -6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.763 -6.295 -3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.538 -4.765 -3.817 1.00 0.00 H new ATOM 673 N ARG A 45 -14.045 -4.588 -6.770 1.00 0.00 N ATOM 674 CA ARG A 45 -12.946 -3.586 -6.906 1.00 0.00 C ATOM 675 C ARG A 45 -13.535 -2.168 -6.862 1.00 0.00 C ATOM 676 O ARG A 45 -13.485 -1.431 -7.831 1.00 0.00 O ATOM 677 CB ARG A 45 -12.220 -3.806 -8.237 1.00 0.00 C ATOM 678 CG ARG A 45 -10.770 -3.336 -8.109 1.00 0.00 C ATOM 679 CD ARG A 45 -10.098 -3.368 -9.483 1.00 0.00 C ATOM 680 NE ARG A 45 -9.531 -4.730 -9.730 1.00 0.00 N ATOM 681 CZ ARG A 45 -8.620 -4.937 -10.662 1.00 0.00 C ATOM 682 NH1 ARG A 45 -8.175 -3.960 -11.418 1.00 0.00 N ATOM 683 NH2 ARG A 45 -8.151 -6.143 -10.838 1.00 0.00 N ATOM 0 H ARG A 45 -14.261 -5.109 -7.620 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.239 -3.705 -6.085 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.249 -4.861 -8.510 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.723 -3.257 -9.033 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.739 -2.326 -7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.229 -3.977 -7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.821 -3.117 -10.259 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.307 -2.619 -9.530 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.855 -5.516 -9.166 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.534 -3.014 -11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.470 -4.147 -12.131 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.489 -6.911 -10.259 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.447 -6.317 -11.555 1.00 0.00 H new ATOM 697 N LYS A 46 -14.094 -1.785 -5.741 1.00 0.00 N ATOM 698 CA LYS A 46 -14.689 -0.421 -5.617 1.00 0.00 C ATOM 699 C LYS A 46 -13.804 0.438 -4.715 1.00 0.00 C ATOM 700 O LYS A 46 -13.478 1.563 -5.041 1.00 0.00 O ATOM 701 CB LYS A 46 -16.086 -0.523 -5.000 1.00 0.00 C ATOM 702 CG LYS A 46 -17.016 -1.270 -5.956 1.00 0.00 C ATOM 703 CD LYS A 46 -17.618 -0.286 -6.964 1.00 0.00 C ATOM 704 CE LYS A 46 -16.825 -0.340 -8.272 1.00 0.00 C ATOM 705 NZ LYS A 46 -16.719 1.034 -8.844 1.00 0.00 N ATOM 0 H LYS A 46 -14.163 -2.362 -4.903 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.760 0.033 -6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.035 -1.045 -4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.479 0.473 -4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.464 -2.050 -6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.810 -1.763 -5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.663 -0.534 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -17.598 0.725 -6.557 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.831 -0.748 -8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -17.318 -1.004 -8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.180 0.999 -9.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.672 1.407 -9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.231 1.655 -8.167 1.00 0.00 H new ATOM 719 N GLY A 47 -13.413 -0.089 -3.580 1.00 0.00 N ATOM 720 CA GLY A 47 -12.545 0.687 -2.642 1.00 0.00 C ATOM 721 C GLY A 47 -11.273 1.136 -3.365 1.00 0.00 C ATOM 722 O GLY A 47 -10.818 2.247 -3.196 1.00 0.00 O ATOM 0 H GLY A 47 -13.659 -1.027 -3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.086 1.555 -2.265 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.287 0.073 -1.779 1.00 0.00 H new ATOM 726 N LEU A 48 -10.708 0.279 -4.178 1.00 0.00 N ATOM 727 CA LEU A 48 -9.471 0.649 -4.927 1.00 0.00 C ATOM 728 C LEU A 48 -9.829 1.680 -6.001 1.00 0.00 C ATOM 729 O LEU A 48 -9.163 2.688 -6.151 1.00 0.00 O ATOM 730 CB LEU A 48 -8.887 -0.612 -5.576 1.00 0.00 C ATOM 731 CG LEU A 48 -7.633 -0.271 -6.387 1.00 0.00 C ATOM 732 CD1 LEU A 48 -6.717 -1.495 -6.432 1.00 0.00 C ATOM 733 CD2 LEU A 48 -8.039 0.111 -7.812 1.00 0.00 C ATOM 0 H LEU A 48 -11.053 -0.665 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.732 1.079 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.641 -1.343 -4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.632 -1.072 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.109 0.564 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.822 -1.259 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.432 -1.774 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.243 -2.326 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.148 0.354 -8.391 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.558 -0.726 -8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.700 0.977 -7.782 1.00 0.00 H new ATOM 745 N ASP A 49 -10.880 1.436 -6.743 1.00 0.00 N ATOM 746 CA ASP A 49 -11.294 2.399 -7.808 1.00 0.00 C ATOM 747 C ASP A 49 -11.627 3.751 -7.169 1.00 0.00 C ATOM 748 O ASP A 49 -11.466 4.792 -7.779 1.00 0.00 O ATOM 749 CB ASP A 49 -12.530 1.857 -8.532 1.00 0.00 C ATOM 750 CG ASP A 49 -12.465 2.241 -10.012 1.00 0.00 C ATOM 751 OD1 ASP A 49 -12.967 3.298 -10.351 1.00 0.00 O ATOM 752 OD2 ASP A 49 -11.914 1.467 -10.779 1.00 0.00 O ATOM 0 H ASP A 49 -11.471 0.609 -6.656 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.481 2.525 -8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.579 0.773 -8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.436 2.261 -8.080 1.00 0.00 H new ATOM 757 N LEU A 50 -12.085 3.737 -5.944 1.00 0.00 N ATOM 758 CA LEU A 50 -12.429 5.010 -5.247 1.00 0.00 C ATOM 759 C LEU A 50 -11.194 5.531 -4.504 1.00 0.00 C ATOM 760 O LEU A 50 -11.061 6.718 -4.266 1.00 0.00 O ATOM 761 CB LEU A 50 -13.565 4.754 -4.248 1.00 0.00 C ATOM 762 CG LEU A 50 -14.738 4.062 -4.956 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.455 3.138 -3.972 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.721 5.118 -5.467 1.00 0.00 C ATOM 0 H LEU A 50 -12.236 2.892 -5.394 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.752 5.752 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.206 4.132 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.897 5.696 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.360 3.478 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.288 2.647 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.757 2.385 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.832 3.722 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.554 4.627 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.097 5.701 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.213 5.779 -6.169 1.00 0.00 H new ATOM 776 N LEU A 51 -10.283 4.658 -4.144 1.00 0.00 N ATOM 777 CA LEU A 51 -9.052 5.104 -3.428 1.00 0.00 C ATOM 778 C LEU A 51 -8.238 5.998 -4.364 1.00 0.00 C ATOM 779 O LEU A 51 -7.586 6.930 -3.935 1.00 0.00 O ATOM 780 CB LEU A 51 -8.217 3.883 -3.026 1.00 0.00 C ATOM 781 CG LEU A 51 -7.205 4.281 -1.950 1.00 0.00 C ATOM 782 CD1 LEU A 51 -7.930 4.514 -0.625 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.185 3.154 -1.770 1.00 0.00 C ATOM 0 H LEU A 51 -10.342 3.654 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.325 5.657 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.868 3.093 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.698 3.483 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.696 5.196 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.207 4.797 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.662 5.312 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.438 3.599 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.463 3.436 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.700 2.243 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.665 2.980 -2.712 1.00 0.00 H new ATOM 795 N ARG A 52 -8.286 5.720 -5.643 1.00 0.00 N ATOM 796 CA ARG A 52 -7.531 6.547 -6.627 1.00 0.00 C ATOM 797 C ARG A 52 -8.114 7.962 -6.650 1.00 0.00 C ATOM 798 O ARG A 52 -7.418 8.925 -6.913 1.00 0.00 O ATOM 799 CB ARG A 52 -7.650 5.920 -8.017 1.00 0.00 C ATOM 800 CG ARG A 52 -6.917 4.572 -8.038 1.00 0.00 C ATOM 801 CD ARG A 52 -7.738 3.550 -8.826 1.00 0.00 C ATOM 802 NE ARG A 52 -7.905 4.022 -10.235 1.00 0.00 N ATOM 803 CZ ARG A 52 -6.934 3.908 -11.121 1.00 0.00 C ATOM 804 NH1 ARG A 52 -5.774 3.377 -10.806 1.00 0.00 N ATOM 805 NH2 ARG A 52 -7.130 4.334 -12.339 1.00 0.00 N ATOM 0 H ARG A 52 -8.820 4.951 -6.048 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.480 6.591 -6.340 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.700 5.779 -8.275 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.225 6.588 -8.766 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.933 4.689 -8.492 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.758 4.218 -7.019 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.240 2.580 -8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.713 3.414 -8.359 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.790 4.442 -10.518 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.608 3.041 -9.857 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.040 3.301 -11.510 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.026 4.749 -12.596 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.388 4.252 -13.034 1.00 0.00 H new ATOM 819 N MET A 53 -9.388 8.093 -6.371 1.00 0.00 N ATOM 820 CA MET A 53 -10.025 9.443 -6.369 1.00 0.00 C ATOM 821 C MET A 53 -10.378 9.866 -4.929 1.00 0.00 C ATOM 822 O MET A 53 -11.178 10.760 -4.722 1.00 0.00 O ATOM 823 CB MET A 53 -11.284 9.407 -7.261 1.00 0.00 C ATOM 824 CG MET A 53 -12.426 8.629 -6.580 1.00 0.00 C ATOM 825 SD MET A 53 -13.659 9.783 -5.921 1.00 0.00 S ATOM 826 CE MET A 53 -14.626 8.570 -4.989 1.00 0.00 C ATOM 0 H MET A 53 -10.014 7.320 -6.144 1.00 0.00 H new ATOM 0 HA MET A 53 -9.328 10.180 -6.769 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.611 10.425 -7.475 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.043 8.942 -8.217 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.894 7.954 -7.296 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.027 8.012 -5.775 1.00 0.00 H new ATOM 0 HE1 MET A 53 -15.202 9.080 -4.217 1.00 0.00 H new ATOM 0 HE2 MET A 53 -15.305 8.050 -5.664 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.954 7.849 -4.524 1.00 0.00 H new ATOM 836 N LYS A 54 -9.789 9.232 -3.940 1.00 0.00 N ATOM 837 CA LYS A 54 -10.095 9.598 -2.524 1.00 0.00 C ATOM 838 C LYS A 54 -8.810 10.023 -1.803 1.00 0.00 C ATOM 839 O LYS A 54 -8.826 10.905 -0.964 1.00 0.00 O ATOM 840 CB LYS A 54 -10.704 8.391 -1.806 1.00 0.00 C ATOM 841 CG LYS A 54 -12.228 8.435 -1.935 1.00 0.00 C ATOM 842 CD LYS A 54 -12.798 9.421 -0.914 1.00 0.00 C ATOM 843 CE LYS A 54 -14.098 10.019 -1.453 1.00 0.00 C ATOM 844 NZ LYS A 54 -14.780 10.780 -0.368 1.00 0.00 N ATOM 0 H LYS A 54 -9.111 8.479 -4.055 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.802 10.427 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.319 7.466 -2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.417 8.397 -0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.510 8.736 -2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.646 7.442 -1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.984 8.914 0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.076 10.213 -0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.887 10.677 -2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.750 9.227 -1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.665 11.187 -0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.994 10.140 0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.158 11.544 -0.036 1.00 0.00 H new ATOM 858 N VAL A 55 -7.700 9.398 -2.115 1.00 0.00 N ATOM 859 CA VAL A 55 -6.409 9.754 -1.446 1.00 0.00 C ATOM 860 C VAL A 55 -6.105 11.245 -1.644 1.00 0.00 C ATOM 861 O VAL A 55 -6.366 11.805 -2.693 1.00 0.00 O ATOM 862 CB VAL A 55 -5.280 8.920 -2.050 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.512 7.443 -1.728 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.254 9.112 -3.569 1.00 0.00 C ATOM 0 H VAL A 55 -7.633 8.653 -2.808 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.491 9.547 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.327 9.241 -1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.708 6.846 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.529 7.305 -0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.465 7.124 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.448 8.516 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.206 8.792 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.089 10.164 -3.800 1.00 0.00 H new ATOM 874 N GLU A 56 -5.555 11.885 -0.643 1.00 0.00 N ATOM 875 CA GLU A 56 -5.228 13.335 -0.763 1.00 0.00 C ATOM 876 C GLU A 56 -3.748 13.493 -1.124 1.00 0.00 C ATOM 877 O GLU A 56 -3.012 12.527 -1.181 1.00 0.00 O ATOM 878 CB GLU A 56 -5.506 14.033 0.573 1.00 0.00 C ATOM 879 CG GLU A 56 -6.885 14.696 0.529 1.00 0.00 C ATOM 880 CD GLU A 56 -6.785 16.036 -0.201 1.00 0.00 C ATOM 881 OE1 GLU A 56 -6.234 16.961 0.373 1.00 0.00 O ATOM 882 OE2 GLU A 56 -7.259 16.114 -1.323 1.00 0.00 O ATOM 0 H GLU A 56 -5.318 11.462 0.255 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.843 13.785 -1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.465 13.310 1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.738 14.781 0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.597 14.045 0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.259 14.849 1.541 1.00 0.00 H new ATOM 889 N GLU A 57 -3.312 14.702 -1.371 1.00 0.00 N ATOM 890 CA GLU A 57 -1.881 14.928 -1.732 1.00 0.00 C ATOM 891 C GLU A 57 -0.987 14.549 -0.549 1.00 0.00 C ATOM 892 O GLU A 57 -1.046 15.154 0.504 1.00 0.00 O ATOM 893 CB GLU A 57 -1.670 16.403 -2.079 1.00 0.00 C ATOM 894 CG GLU A 57 -0.384 16.558 -2.893 1.00 0.00 C ATOM 895 CD GLU A 57 0.261 17.908 -2.577 1.00 0.00 C ATOM 896 OE1 GLU A 57 0.437 18.198 -1.404 1.00 0.00 O ATOM 897 OE2 GLU A 57 0.567 18.629 -3.511 1.00 0.00 O ATOM 0 H GLU A 57 -3.887 15.544 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.623 14.311 -2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.520 16.779 -2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.609 16.997 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.307 15.749 -2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.605 16.489 -3.958 1.00 0.00 H new ATOM 904 N GLY A 58 -0.155 13.552 -0.722 1.00 0.00 N ATOM 905 CA GLY A 58 0.752 13.124 0.383 1.00 0.00 C ATOM 906 C GLY A 58 0.016 12.163 1.321 1.00 0.00 C ATOM 907 O GLY A 58 0.339 12.060 2.490 1.00 0.00 O ATOM 0 H GLY A 58 -0.066 13.015 -1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.636 12.638 -0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.097 13.995 0.939 1.00 0.00 H new ATOM 911 N ASP A 59 -0.970 11.460 0.819 1.00 0.00 N ATOM 912 CA ASP A 59 -1.727 10.505 1.681 1.00 0.00 C ATOM 913 C ASP A 59 -0.960 9.184 1.781 1.00 0.00 C ATOM 914 O ASP A 59 -0.205 8.829 0.895 1.00 0.00 O ATOM 915 CB ASP A 59 -3.104 10.247 1.066 1.00 0.00 C ATOM 916 CG ASP A 59 -4.112 9.948 2.178 1.00 0.00 C ATOM 917 OD1 ASP A 59 -3.872 9.023 2.935 1.00 0.00 O ATOM 918 OD2 ASP A 59 -5.106 10.652 2.254 1.00 0.00 O ATOM 0 H ASP A 59 -1.282 11.508 -0.151 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.845 10.932 2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.426 11.116 0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.053 9.408 0.372 1.00 0.00 H new ATOM 923 N VAL A 60 -1.158 8.450 2.848 1.00 0.00 N ATOM 924 CA VAL A 60 -0.446 7.141 3.001 1.00 0.00 C ATOM 925 C VAL A 60 -1.455 6.003 2.840 1.00 0.00 C ATOM 926 O VAL A 60 -2.370 5.853 3.630 1.00 0.00 O ATOM 927 CB VAL A 60 0.229 7.029 4.381 1.00 0.00 C ATOM 928 CG1 VAL A 60 1.593 7.716 4.340 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.639 7.678 5.468 1.00 0.00 C ATOM 0 H VAL A 60 -1.779 8.698 3.618 1.00 0.00 H new ATOM 0 HA VAL A 60 0.328 7.078 2.236 1.00 0.00 H new ATOM 0 HB VAL A 60 0.353 5.973 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.070 7.636 5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.220 7.235 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.463 8.768 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.142 7.586 6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.787 8.732 5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.606 7.177 5.509 1.00 0.00 H new ATOM 939 N ILE A 61 -1.297 5.209 1.815 1.00 0.00 N ATOM 940 CA ILE A 61 -2.239 4.078 1.577 1.00 0.00 C ATOM 941 C ILE A 61 -1.669 2.800 2.203 1.00 0.00 C ATOM 942 O ILE A 61 -0.788 2.168 1.650 1.00 0.00 O ATOM 943 CB ILE A 61 -2.419 3.893 0.063 1.00 0.00 C ATOM 944 CG1 ILE A 61 -3.045 5.161 -0.526 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.334 2.699 -0.228 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.530 5.387 -1.951 1.00 0.00 C ATOM 0 H ILE A 61 -0.549 5.297 1.127 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.206 4.291 2.033 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.444 3.708 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.131 5.070 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.801 6.021 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.450 2.584 -1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.894 1.793 0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.310 2.870 0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.980 6.291 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.446 5.498 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.797 4.533 -2.574 1.00 0.00 H new ATOM 958 N LEU A 62 -2.174 2.414 3.348 1.00 0.00 N ATOM 959 CA LEU A 62 -1.675 1.174 4.012 1.00 0.00 C ATOM 960 C LEU A 62 -2.306 -0.042 3.331 1.00 0.00 C ATOM 961 O LEU A 62 -3.515 -0.167 3.268 1.00 0.00 O ATOM 962 CB LEU A 62 -2.068 1.195 5.494 1.00 0.00 C ATOM 963 CG LEU A 62 -0.890 1.694 6.333 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.373 2.027 7.745 1.00 0.00 C ATOM 965 CD2 LEU A 62 0.182 0.604 6.404 1.00 0.00 C ATOM 0 H LEU A 62 -2.912 2.906 3.851 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.589 1.120 3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.932 1.843 5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.359 0.196 5.817 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.470 2.589 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.533 2.382 8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.137 2.803 7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.794 1.133 8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.022 0.958 7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.239 -0.291 6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.527 0.367 5.398 1.00 0.00 H new ATOM 977 N VAL A 63 -1.498 -0.933 2.818 1.00 0.00 N ATOM 978 CA VAL A 63 -2.048 -2.141 2.133 1.00 0.00 C ATOM 979 C VAL A 63 -1.787 -3.380 2.990 1.00 0.00 C ATOM 980 O VAL A 63 -0.710 -3.562 3.523 1.00 0.00 O ATOM 981 CB VAL A 63 -1.373 -2.311 0.770 1.00 0.00 C ATOM 982 CG1 VAL A 63 -2.049 -3.449 0.003 1.00 0.00 C ATOM 983 CG2 VAL A 63 -1.504 -1.013 -0.029 1.00 0.00 C ATOM 0 H VAL A 63 -0.480 -0.876 2.844 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.122 -2.018 1.992 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.318 -2.546 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.568 -3.570 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.958 -4.375 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.104 -3.214 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.023 -1.133 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.559 -0.779 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.023 -0.200 0.516 1.00 0.00 H new ATOM 1207 N ILE A 77 0.667 -3.440 -8.796 1.00 0.00 N ATOM 1208 CA ILE A 77 1.518 -2.264 -9.143 1.00 0.00 C ATOM 1209 C ILE A 77 0.677 -1.206 -9.873 1.00 0.00 C ATOM 1210 O ILE A 77 1.058 -0.055 -9.948 1.00 0.00 O ATOM 1211 CB ILE A 77 2.676 -2.724 -10.036 1.00 0.00 C ATOM 1212 CG1 ILE A 77 3.488 -3.787 -9.292 1.00 0.00 C ATOM 1213 CG2 ILE A 77 3.583 -1.537 -10.369 1.00 0.00 C ATOM 1214 CD1 ILE A 77 2.987 -5.179 -9.682 1.00 0.00 C ATOM 0 HA ILE A 77 1.919 -1.823 -8.230 1.00 0.00 H new ATOM 0 HB ILE A 77 2.276 -3.138 -10.961 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.546 -3.688 -9.536 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.394 -3.644 -8.216 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.403 -1.873 -11.004 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.007 -0.775 -10.893 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.986 -1.117 -9.447 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.566 -5.936 -9.152 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.934 -5.275 -9.416 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.104 -5.320 -10.757 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.467 -1.580 -10.405 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.327 -0.588 -11.124 1.00 0.00 C ATOM 1228 C GLN A 78 -1.681 0.561 -10.174 1.00 0.00 C ATOM 1229 O GLN A 78 -1.207 1.671 -10.332 1.00 0.00 O ATOM 1230 CB GLN A 78 -2.609 -1.280 -11.606 1.00 0.00 C ATOM 1231 CG GLN A 78 -2.861 -0.944 -13.078 1.00 0.00 C ATOM 1232 CD GLN A 78 -2.140 -1.960 -13.965 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -2.690 -2.989 -14.303 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -0.921 -1.713 -14.360 1.00 0.00 N ATOM 0 H GLN A 78 -0.839 -2.529 -10.371 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.789 -0.190 -11.984 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.519 -2.359 -11.481 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.456 -0.958 -11.000 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.931 -0.958 -13.287 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.506 0.063 -13.298 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.458 -0.849 -14.077 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.431 -2.384 -14.952 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.515 0.306 -9.193 1.00 0.00 N ATOM 1244 CA LEU A 79 -2.900 1.392 -8.236 1.00 0.00 C ATOM 1245 C LEU A 79 -1.651 2.010 -7.585 1.00 0.00 C ATOM 1246 O LEU A 79 -1.694 3.123 -7.102 1.00 0.00 O ATOM 1247 CB LEU A 79 -3.910 0.877 -7.172 1.00 0.00 C ATOM 1248 CG LEU A 79 -3.311 -0.107 -6.131 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -2.561 -1.253 -6.809 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -2.374 0.625 -5.161 1.00 0.00 C ATOM 0 H LEU A 79 -2.944 -0.602 -9.014 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.404 2.178 -8.799 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.328 1.734 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.736 0.384 -7.684 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.145 -0.528 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.155 -1.922 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.246 -1.806 -7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.746 -0.849 -7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.967 -0.086 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.558 1.083 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.930 1.398 -4.632 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.537 1.312 -7.584 1.00 0.00 N ATOM 1263 CA ILE A 80 0.704 1.885 -6.984 1.00 0.00 C ATOM 1264 C ILE A 80 1.229 2.961 -7.935 1.00 0.00 C ATOM 1265 O ILE A 80 1.620 4.035 -7.518 1.00 0.00 O ATOM 1266 CB ILE A 80 1.745 0.764 -6.787 1.00 0.00 C ATOM 1267 CG1 ILE A 80 1.255 -0.180 -5.682 1.00 0.00 C ATOM 1268 CG2 ILE A 80 3.105 1.356 -6.377 1.00 0.00 C ATOM 1269 CD1 ILE A 80 2.238 -1.344 -5.511 1.00 0.00 C ATOM 0 H ILE A 80 -0.438 0.374 -7.972 1.00 0.00 H new ATOM 0 HA ILE A 80 0.501 2.328 -6.009 1.00 0.00 H new ATOM 0 HB ILE A 80 1.866 0.222 -7.725 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.158 0.365 -4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.266 -0.563 -5.932 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.827 0.550 -6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.457 2.032 -7.156 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.996 1.905 -5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.881 -2.009 -4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.313 -1.897 -6.447 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.219 -0.955 -5.240 1.00 0.00 H new ATOM 1281 N LYS A 81 1.222 2.682 -9.212 1.00 0.00 N ATOM 1282 CA LYS A 81 1.701 3.683 -10.207 1.00 0.00 C ATOM 1283 C LYS A 81 0.720 4.854 -10.229 1.00 0.00 C ATOM 1284 O LYS A 81 1.101 5.995 -10.411 1.00 0.00 O ATOM 1285 CB LYS A 81 1.759 3.038 -11.597 1.00 0.00 C ATOM 1286 CG LYS A 81 2.482 1.683 -11.519 1.00 0.00 C ATOM 1287 CD LYS A 81 3.721 1.690 -12.425 1.00 0.00 C ATOM 1288 CE LYS A 81 3.449 0.854 -13.678 1.00 0.00 C ATOM 1289 NZ LYS A 81 4.602 0.970 -14.614 1.00 0.00 N ATOM 0 H LYS A 81 0.903 1.798 -9.609 1.00 0.00 H new ATOM 0 HA LYS A 81 2.697 4.033 -9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.750 2.899 -11.985 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.279 3.698 -12.291 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.776 1.478 -10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.806 0.884 -11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.972 2.713 -12.706 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.579 1.288 -11.887 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.293 -0.190 -13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.536 1.196 -14.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.417 0.402 -15.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.731 1.966 -14.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.464 0.623 -14.147 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.542 4.572 -10.036 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.567 5.653 -10.031 1.00 0.00 C ATOM 1305 C GLU A 82 -1.305 6.586 -8.847 1.00 0.00 C ATOM 1306 O GLU A 82 -1.272 7.793 -8.994 1.00 0.00 O ATOM 1307 CB GLU A 82 -2.958 5.029 -9.899 1.00 0.00 C ATOM 1308 CG GLU A 82 -3.978 5.894 -10.643 1.00 0.00 C ATOM 1309 CD GLU A 82 -3.735 5.787 -12.149 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -3.719 4.676 -12.650 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -3.567 6.820 -12.777 1.00 0.00 O ATOM 0 H GLU A 82 -0.907 3.632 -9.881 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.513 6.221 -10.960 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.955 4.019 -10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.233 4.947 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.990 5.569 -10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.893 6.932 -10.323 1.00 0.00 H new ATOM 1318 N PHE A 83 -1.108 6.030 -7.676 1.00 0.00 N ATOM 1319 CA PHE A 83 -0.836 6.875 -6.477 1.00 0.00 C ATOM 1320 C PHE A 83 0.556 7.500 -6.608 1.00 0.00 C ATOM 1321 O PHE A 83 0.809 8.582 -6.112 1.00 0.00 O ATOM 1322 CB PHE A 83 -0.890 6.013 -5.211 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.310 5.552 -4.960 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.357 6.482 -4.927 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.576 4.193 -4.758 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.667 6.050 -4.692 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -3.888 3.762 -4.525 1.00 0.00 C ATOM 1328 CZ PHE A 83 -4.933 4.691 -4.491 1.00 0.00 C ATOM 0 H PHE A 83 -1.124 5.025 -7.501 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.589 7.660 -6.408 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.233 5.150 -5.320 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.528 6.584 -4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.153 7.531 -5.083 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.769 3.476 -4.782 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.474 6.767 -4.666 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.093 2.713 -4.372 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.945 4.360 -4.310 1.00 0.00 H new ATOM 1338 N ASP A 84 1.458 6.823 -7.276 1.00 0.00 N ATOM 1339 CA ASP A 84 2.838 7.366 -7.448 1.00 0.00 C ATOM 1340 C ASP A 84 2.773 8.669 -8.249 1.00 0.00 C ATOM 1341 O ASP A 84 3.548 9.580 -8.033 1.00 0.00 O ATOM 1342 CB ASP A 84 3.692 6.350 -8.208 1.00 0.00 C ATOM 1343 CG ASP A 84 5.160 6.515 -7.811 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.634 7.639 -7.821 1.00 0.00 O ATOM 1345 OD2 ASP A 84 5.785 5.514 -7.500 1.00 0.00 O ATOM 0 H ASP A 84 1.295 5.915 -7.710 1.00 0.00 H new ATOM 0 HA ASP A 84 3.279 7.557 -6.470 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.356 5.338 -7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.577 6.494 -9.282 1.00 0.00 H new ATOM 1350 N ALA A 85 1.856 8.750 -9.177 1.00 0.00 N ATOM 1351 CA ALA A 85 1.729 9.983 -10.009 1.00 0.00 C ATOM 1352 C ALA A 85 0.925 11.049 -9.256 1.00 0.00 C ATOM 1353 O ALA A 85 1.061 12.230 -9.514 1.00 0.00 O ATOM 1354 CB ALA A 85 1.015 9.640 -11.318 1.00 0.00 C ATOM 0 H ALA A 85 1.187 8.012 -9.395 1.00 0.00 H new ATOM 0 HA ALA A 85 2.725 10.373 -10.221 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.921 10.539 -11.927 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.592 8.892 -11.862 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.023 9.245 -11.099 1.00 0.00 H new ATOM 1360 N GLN A 86 0.087 10.643 -8.331 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.727 11.635 -7.569 1.00 0.00 C ATOM 1362 C GLN A 86 0.088 12.216 -6.400 1.00 0.00 C ATOM 1363 O GLN A 86 -0.428 12.989 -5.614 1.00 0.00 O ATOM 1364 CB GLN A 86 -1.987 10.939 -7.028 1.00 0.00 C ATOM 1365 CG GLN A 86 -3.229 11.483 -7.739 1.00 0.00 C ATOM 1366 CD GLN A 86 -4.474 11.156 -6.913 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -4.477 11.311 -5.709 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -5.542 10.707 -7.517 1.00 0.00 N ATOM 0 H GLN A 86 -0.066 9.668 -8.073 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.009 12.452 -8.233 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.912 9.862 -7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.071 11.103 -5.954 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.141 12.561 -7.873 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.314 11.044 -8.733 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.539 10.577 -8.529 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.379 10.487 -6.977 1.00 0.00 H new ATOM 1377 N GLY A 87 1.346 11.857 -6.272 1.00 0.00 N ATOM 1378 CA GLY A 87 2.168 12.394 -5.149 1.00 0.00 C ATOM 1379 C GLY A 87 1.679 11.792 -3.832 1.00 0.00 C ATOM 1380 O GLY A 87 1.765 12.407 -2.787 1.00 0.00 O ATOM 0 H GLY A 87 1.834 11.216 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.219 12.152 -5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.093 13.481 -5.115 1.00 0.00 H new ATOM 1384 N VAL A 88 1.165 10.590 -3.882 1.00 0.00 N ATOM 1385 CA VAL A 88 0.662 9.932 -2.643 1.00 0.00 C ATOM 1386 C VAL A 88 1.616 8.803 -2.246 1.00 0.00 C ATOM 1387 O VAL A 88 2.252 8.192 -3.082 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.740 9.366 -2.905 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.281 8.694 -1.638 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.679 10.507 -3.306 1.00 0.00 C ATOM 0 H VAL A 88 1.072 10.035 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 88 0.610 10.658 -1.832 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.683 8.630 -3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.276 8.296 -1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.616 7.881 -1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.336 9.426 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.676 10.109 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.726 11.240 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.304 10.986 -4.211 1.00 0.00 H new ATOM 1400 N SER A 89 1.710 8.527 -0.970 1.00 0.00 N ATOM 1401 CA SER A 89 2.614 7.441 -0.501 1.00 0.00 C ATOM 1402 C SER A 89 1.796 6.173 -0.251 1.00 0.00 C ATOM 1403 O SER A 89 0.580 6.208 -0.208 1.00 0.00 O ATOM 1404 CB SER A 89 3.299 7.870 0.796 1.00 0.00 C ATOM 1405 OG SER A 89 4.190 8.943 0.522 1.00 0.00 O ATOM 0 H SER A 89 1.197 9.010 -0.233 1.00 0.00 H new ATOM 0 HA SER A 89 3.370 7.244 -1.261 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.554 8.178 1.530 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.844 7.031 1.228 1.00 0.00 H new ATOM 0 HG SER A 89 4.630 9.223 1.352 1.00 0.00 H new ATOM 1411 N ILE A 90 2.457 5.058 -0.084 1.00 0.00 N ATOM 1412 CA ILE A 90 1.732 3.781 0.166 1.00 0.00 C ATOM 1413 C ILE A 90 2.516 2.952 1.187 1.00 0.00 C ATOM 1414 O ILE A 90 3.717 2.796 1.084 1.00 0.00 O ATOM 1415 CB ILE A 90 1.591 3.003 -1.149 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.850 3.882 -2.172 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.802 1.709 -0.898 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.591 3.101 -3.468 1.00 0.00 C ATOM 0 H ILE A 90 3.474 4.978 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 90 0.737 3.991 0.559 1.00 0.00 H new ATOM 0 HB ILE A 90 2.577 2.746 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.096 4.221 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.440 4.772 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.702 1.157 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.331 1.096 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.188 1.955 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.066 3.739 -4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.541 2.784 -3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.019 2.224 -3.249 1.00 0.00 H new ATOM 1430 N ARG A 91 1.837 2.428 2.173 1.00 0.00 N ATOM 1431 CA ARG A 91 2.523 1.608 3.213 1.00 0.00 C ATOM 1432 C ARG A 91 2.149 0.136 3.021 1.00 0.00 C ATOM 1433 O ARG A 91 1.070 -0.180 2.557 1.00 0.00 O ATOM 1434 CB ARG A 91 2.073 2.073 4.599 1.00 0.00 C ATOM 1435 CG ARG A 91 2.756 3.397 4.943 1.00 0.00 C ATOM 1436 CD ARG A 91 2.298 3.863 6.325 1.00 0.00 C ATOM 1437 NE ARG A 91 3.281 4.849 6.873 1.00 0.00 N ATOM 1438 CZ ARG A 91 2.979 5.626 7.894 1.00 0.00 C ATOM 1439 NH1 ARG A 91 1.802 5.573 8.475 1.00 0.00 N ATOM 1440 NH2 ARG A 91 3.869 6.470 8.338 1.00 0.00 N ATOM 0 H ARG A 91 0.831 2.534 2.303 1.00 0.00 H new ATOM 0 HA ARG A 91 3.603 1.725 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.990 2.195 4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.322 1.319 5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.839 3.274 4.929 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.511 4.150 4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.310 4.318 6.257 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.210 3.009 6.997 1.00 0.00 H new ATOM 0 HE ARG A 91 4.205 4.921 6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.096 4.919 8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.594 6.186 9.264 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.787 6.523 7.896 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.647 7.077 9.127 1.00 0.00 H new ATOM 1454 N PHE A 92 3.033 -0.763 3.372 1.00 0.00 N ATOM 1455 CA PHE A 92 2.731 -2.216 3.210 1.00 0.00 C ATOM 1456 C PHE A 92 2.906 -2.927 4.553 1.00 0.00 C ATOM 1457 O PHE A 92 3.906 -2.761 5.228 1.00 0.00 O ATOM 1458 CB PHE A 92 3.687 -2.825 2.181 1.00 0.00 C ATOM 1459 CG PHE A 92 3.058 -2.765 0.809 1.00 0.00 C ATOM 1460 CD1 PHE A 92 2.770 -1.526 0.224 1.00 0.00 C ATOM 1461 CD2 PHE A 92 2.762 -3.949 0.123 1.00 0.00 C ATOM 1462 CE1 PHE A 92 2.187 -1.470 -1.047 1.00 0.00 C ATOM 1463 CE2 PHE A 92 2.177 -3.893 -1.150 1.00 0.00 C ATOM 1464 CZ PHE A 92 1.891 -2.654 -1.735 1.00 0.00 C ATOM 0 H PHE A 92 3.951 -0.553 3.764 1.00 0.00 H new ATOM 0 HA PHE A 92 1.704 -2.337 2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.633 -2.283 2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.911 -3.859 2.445 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.998 -0.613 0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.984 -4.905 0.574 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.965 -0.514 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.947 -4.806 -1.679 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.442 -2.611 -2.716 1.00 0.00 H new ATOM 1474 N ILE A 93 1.940 -3.717 4.944 1.00 0.00 N ATOM 1475 CA ILE A 93 2.037 -4.448 6.242 1.00 0.00 C ATOM 1476 C ILE A 93 3.211 -5.435 6.194 1.00 0.00 C ATOM 1477 O ILE A 93 3.777 -5.787 7.212 1.00 0.00 O ATOM 1478 CB ILE A 93 0.721 -5.202 6.496 1.00 0.00 C ATOM 1479 CG1 ILE A 93 0.804 -5.965 7.826 1.00 0.00 C ATOM 1480 CG2 ILE A 93 0.462 -6.190 5.352 1.00 0.00 C ATOM 1481 CD1 ILE A 93 -0.540 -6.630 8.126 1.00 0.00 C ATOM 0 H ILE A 93 1.084 -3.888 4.417 1.00 0.00 H new ATOM 0 HA ILE A 93 2.208 -3.739 7.052 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.097 -4.483 6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.590 -6.719 7.775 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.070 -5.281 8.632 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.471 -6.722 5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.390 -5.646 4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.283 -6.905 5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.476 -7.170 9.071 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.316 -5.867 8.196 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.788 -7.327 7.326 1.00 0.00 H new