USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 TYR OH : rot -141:sc= 0.294 USER MOD Set 1.2: A 56 HIS : no HD1:sc= -0.0184 K(o=0.28,f=-0.31) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.257 (180deg=-0.823) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0663 (180deg=-0.157) USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= -0.0601 (180deg=-0.357) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 14:sc= 0.353! USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00954 USER MOD Single : A 39 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-2.5!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 62 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.28) USER MOD Single : A 72 THR OG1 : rot -42:sc= 0.614 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.904 -8.989 3.658 1.00 0.00 N ATOM 2 CA MET A 1 1.541 -9.416 3.218 1.00 0.00 C ATOM 3 C MET A 1 0.450 -8.493 3.774 1.00 0.00 C ATOM 4 O MET A 1 -0.680 -8.928 4.010 1.00 0.00 O ATOM 5 CB MET A 1 1.308 -10.855 3.695 1.00 0.00 C ATOM 6 CG MET A 1 0.754 -11.774 2.618 1.00 0.00 C ATOM 7 SD MET A 1 0.366 -13.424 3.239 1.00 0.00 S ATOM 8 CE MET A 1 1.856 -13.810 4.159 1.00 0.00 C ATOM 0 H1 MET A 1 3.596 -9.724 3.408 1.00 0.00 H new ATOM 0 H2 MET A 1 3.159 -8.099 3.185 1.00 0.00 H new ATOM 0 H3 MET A 1 2.907 -8.846 4.688 1.00 0.00 H new ATOM 0 HA MET A 1 1.486 -9.359 2.131 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.250 -11.264 4.060 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.618 -10.841 4.539 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.146 -11.329 2.195 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.479 -11.857 1.809 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.884 -14.878 4.374 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.730 -13.536 3.568 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.861 -13.251 5.095 1.00 0.00 H new ATOM 20 N GLU A 2 0.793 -7.220 3.987 1.00 0.00 N ATOM 21 CA GLU A 2 -0.158 -6.248 4.525 1.00 0.00 C ATOM 22 C GLU A 2 0.097 -4.855 3.958 1.00 0.00 C ATOM 23 O GLU A 2 1.093 -4.626 3.273 1.00 0.00 O ATOM 24 CB GLU A 2 -0.064 -6.215 6.052 1.00 0.00 C ATOM 25 CG GLU A 2 0.101 -7.590 6.682 1.00 0.00 C ATOM 26 CD GLU A 2 0.321 -7.521 8.180 1.00 0.00 C ATOM 27 OE1 GLU A 2 -0.596 -7.060 8.893 1.00 0.00 O ATOM 28 OE2 GLU A 2 1.410 -7.926 8.639 1.00 0.00 O ATOM 0 H GLU A 2 1.720 -6.840 3.795 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.161 -6.556 4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.779 -5.588 6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.963 -5.746 6.453 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.786 -8.189 6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.945 -8.100 6.217 1.00 0.00 H new ATOM 35 N TRP A 3 -0.815 -3.928 4.254 1.00 0.00 N ATOM 36 CA TRP A 3 -0.706 -2.552 3.782 1.00 0.00 C ATOM 37 C TRP A 3 -1.268 -1.592 4.829 1.00 0.00 C ATOM 38 O TRP A 3 -2.363 -1.802 5.351 1.00 0.00 O ATOM 39 CB TRP A 3 -1.461 -2.376 2.457 1.00 0.00 C ATOM 40 CG TRP A 3 -0.935 -3.229 1.337 1.00 0.00 C ATOM 41 CD1 TRP A 3 -1.116 -4.574 1.177 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.156 -2.796 0.217 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.488 -5.003 0.031 1.00 0.00 N ATOM 44 CE2 TRP A 3 0.104 -3.930 -0.576 1.00 0.00 C ATOM 45 CE3 TRP A 3 0.349 -1.559 -0.192 1.00 0.00 C ATOM 46 CZ2 TRP A 3 0.848 -3.862 -1.753 1.00 0.00 C ATOM 47 CZ3 TRP A 3 1.085 -1.494 -1.361 1.00 0.00 C ATOM 48 CH2 TRP A 3 1.327 -2.637 -2.130 1.00 0.00 C ATOM 0 H TRP A 3 -1.642 -4.110 4.823 1.00 0.00 H new ATOM 0 HA TRP A 3 0.348 -2.326 3.618 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.513 -2.611 2.616 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.410 -1.329 2.158 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -1.671 -5.208 1.852 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.467 -5.964 -0.310 1.00 0.00 H new ATOM 0 HE3 TRP A 3 0.168 -0.670 0.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.039 -4.744 -2.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.480 -0.543 -1.686 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.903 -2.551 -3.039 1.00 0.00 H new ATOM 59 N LYS A 4 -0.516 -0.542 5.135 1.00 0.00 N ATOM 60 CA LYS A 4 -0.940 0.444 6.122 1.00 0.00 C ATOM 61 C LYS A 4 -0.651 1.855 5.625 1.00 0.00 C ATOM 62 O LYS A 4 0.192 2.051 4.752 1.00 0.00 O ATOM 63 CB LYS A 4 -0.229 0.197 7.455 1.00 0.00 C ATOM 64 CG LYS A 4 -1.170 0.142 8.647 1.00 0.00 C ATOM 65 CD LYS A 4 -0.497 -0.485 9.858 1.00 0.00 C ATOM 66 CE LYS A 4 -1.344 -0.330 11.112 1.00 0.00 C ATOM 67 NZ LYS A 4 -1.536 1.101 11.487 1.00 0.00 N ATOM 0 H LYS A 4 0.393 -0.351 4.713 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.015 0.343 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.322 -0.741 7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.504 0.987 7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.504 1.149 8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.058 -0.432 8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.317 -1.543 9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.476 -0.020 10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.316 -0.796 10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.869 -0.860 11.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.858 1.161 12.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.635 1.610 11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.249 1.531 10.863 1.00 0.00 H new ATOM 81 N LEU A 5 -1.356 2.839 6.179 1.00 0.00 N ATOM 82 CA LEU A 5 -1.165 4.229 5.776 1.00 0.00 C ATOM 83 C LEU A 5 -1.455 5.192 6.925 1.00 0.00 C ATOM 84 O LEU A 5 -2.085 4.821 7.918 1.00 0.00 O ATOM 85 CB LEU A 5 -2.054 4.560 4.578 1.00 0.00 C ATOM 86 CG LEU A 5 -1.339 5.244 3.411 1.00 0.00 C ATOM 87 CD1 LEU A 5 -0.736 4.213 2.472 1.00 0.00 C ATOM 88 CD2 LEU A 5 -2.299 6.153 2.662 1.00 0.00 C ATOM 0 H LEU A 5 -2.060 2.700 6.904 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.119 4.351 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.508 3.638 4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.866 5.204 4.915 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.529 5.853 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.232 4.721 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.016 3.602 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.526 3.576 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.776 6.632 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.129 5.564 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.682 6.916 3.340 1.00 0.00 H new ATOM 100 N PHE A 6 -0.982 6.430 6.780 1.00 0.00 N ATOM 101 CA PHE A 6 -1.178 7.460 7.799 1.00 0.00 C ATOM 102 C PHE A 6 -2.376 8.355 7.464 1.00 0.00 C ATOM 103 O PHE A 6 -3.041 8.166 6.443 1.00 0.00 O ATOM 104 CB PHE A 6 0.093 8.309 7.941 1.00 0.00 C ATOM 105 CG PHE A 6 0.401 8.706 9.361 1.00 0.00 C ATOM 106 CD1 PHE A 6 0.662 7.742 10.324 1.00 0.00 C ATOM 107 CD2 PHE A 6 0.434 10.040 9.729 1.00 0.00 C ATOM 108 CE1 PHE A 6 0.946 8.104 11.627 1.00 0.00 C ATOM 109 CE2 PHE A 6 0.717 10.408 11.031 1.00 0.00 C ATOM 110 CZ PHE A 6 0.975 9.439 11.980 1.00 0.00 C ATOM 0 H PHE A 6 -0.458 6.744 5.963 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.385 6.962 8.746 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.938 7.752 7.537 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.013 9.210 7.336 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.643 6.697 10.052 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.236 10.802 8.990 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.145 7.344 12.368 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.736 11.452 11.306 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.199 9.725 12.997 1.00 0.00 H new ATOM 120 N ALA A 7 -2.643 9.333 8.336 1.00 0.00 N ATOM 121 CA ALA A 7 -3.755 10.264 8.145 1.00 0.00 C ATOM 122 C ALA A 7 -3.559 11.157 6.915 1.00 0.00 C ATOM 123 O ALA A 7 -4.495 11.827 6.486 1.00 0.00 O ATOM 124 CB ALA A 7 -3.951 11.116 9.391 1.00 0.00 C ATOM 0 H ALA A 7 -2.100 9.499 9.184 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.651 9.667 7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.782 11.804 9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.170 10.471 10.242 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.042 11.684 9.590 1.00 0.00 H new ATOM 130 N ASP A 8 -2.352 11.161 6.339 1.00 0.00 N ATOM 131 CA ASP A 8 -2.077 11.972 5.151 1.00 0.00 C ATOM 132 C ASP A 8 -3.110 11.685 4.060 1.00 0.00 C ATOM 133 O ASP A 8 -3.526 12.585 3.332 1.00 0.00 O ATOM 134 CB ASP A 8 -0.664 11.699 4.624 1.00 0.00 C ATOM 135 CG ASP A 8 0.339 12.741 5.080 1.00 0.00 C ATOM 136 OD1 ASP A 8 0.426 13.805 4.433 1.00 0.00 O ATOM 137 OD2 ASP A 8 1.036 12.491 6.086 1.00 0.00 O ATOM 0 H ASP A 8 -1.557 10.616 6.674 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.144 13.023 5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.338 10.715 4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.685 11.673 3.535 1.00 0.00 H new ATOM 142 N LEU A 9 -3.517 10.417 3.963 1.00 0.00 N ATOM 143 CA LEU A 9 -4.503 9.988 2.974 1.00 0.00 C ATOM 144 C LEU A 9 -5.719 9.340 3.640 1.00 0.00 C ATOM 145 O LEU A 9 -6.854 9.564 3.217 1.00 0.00 O ATOM 146 CB LEU A 9 -3.865 9.004 1.988 1.00 0.00 C ATOM 147 CG LEU A 9 -2.419 9.315 1.573 1.00 0.00 C ATOM 148 CD1 LEU A 9 -1.943 8.324 0.522 1.00 0.00 C ATOM 149 CD2 LEU A 9 -2.298 10.742 1.054 1.00 0.00 C ATOM 0 H LEU A 9 -3.175 9.666 4.563 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.843 10.873 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.890 8.008 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.481 8.969 1.090 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.784 9.219 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.917 8.559 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.985 7.314 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.585 8.389 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.265 10.938 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.946 10.870 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.596 11.440 1.836 1.00 0.00 H new ATOM 161 N ALA A 10 -5.483 8.545 4.687 1.00 0.00 N ATOM 162 CA ALA A 10 -6.579 7.882 5.399 1.00 0.00 C ATOM 163 C ALA A 10 -7.531 8.891 6.046 1.00 0.00 C ATOM 164 O ALA A 10 -8.633 8.531 6.450 1.00 0.00 O ATOM 165 CB ALA A 10 -6.036 6.920 6.446 1.00 0.00 C ATOM 0 H ALA A 10 -4.554 8.346 5.057 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.149 7.316 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.866 6.438 6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.422 6.162 5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.430 7.470 7.166 1.00 0.00 H new ATOM 171 N GLU A 11 -7.110 10.154 6.134 1.00 0.00 N ATOM 172 CA GLU A 11 -7.945 11.202 6.716 1.00 0.00 C ATOM 173 C GLU A 11 -8.930 11.739 5.679 1.00 0.00 C ATOM 174 O GLU A 11 -10.014 12.211 6.023 1.00 0.00 O ATOM 175 CB GLU A 11 -7.074 12.344 7.240 1.00 0.00 C ATOM 176 CG GLU A 11 -7.830 13.330 8.118 1.00 0.00 C ATOM 177 CD GLU A 11 -8.584 14.383 7.324 1.00 0.00 C ATOM 178 OE1 GLU A 11 -7.997 14.963 6.386 1.00 0.00 O ATOM 179 OE2 GLU A 11 -9.766 14.631 7.644 1.00 0.00 O ATOM 0 H GLU A 11 -6.197 10.474 5.810 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.506 10.772 7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.244 11.926 7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.643 12.879 6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.535 12.783 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.126 13.824 8.788 1.00 0.00 H new ATOM 186 N VAL A 12 -8.544 11.665 4.408 1.00 0.00 N ATOM 187 CA VAL A 12 -9.386 12.149 3.320 1.00 0.00 C ATOM 188 C VAL A 12 -10.382 11.078 2.867 1.00 0.00 C ATOM 189 O VAL A 12 -11.487 11.396 2.422 1.00 0.00 O ATOM 190 CB VAL A 12 -8.525 12.600 2.123 1.00 0.00 C ATOM 191 CG1 VAL A 12 -9.401 13.089 0.980 1.00 0.00 C ATOM 192 CG2 VAL A 12 -7.545 13.682 2.556 1.00 0.00 C ATOM 0 H VAL A 12 -7.652 11.274 4.107 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.947 13.004 3.697 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.956 11.742 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.771 13.402 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.059 12.283 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.002 13.933 1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.943 13.991 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.097 14.540 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.892 13.291 3.336 1.00 0.00 H new ATOM 202 N ALA A 13 -9.985 9.809 2.986 1.00 0.00 N ATOM 203 CA ALA A 13 -10.840 8.691 2.590 1.00 0.00 C ATOM 204 C ALA A 13 -11.548 8.062 3.790 1.00 0.00 C ATOM 205 O ALA A 13 -12.715 7.679 3.696 1.00 0.00 O ATOM 206 CB ALA A 13 -10.020 7.642 1.856 1.00 0.00 C ATOM 0 H ALA A 13 -9.075 9.531 3.354 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.609 9.083 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.666 6.813 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.575 8.086 0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.230 7.274 2.511 1.00 0.00 H new ATOM 212 N GLY A 14 -10.831 7.946 4.908 1.00 0.00 N ATOM 213 CA GLY A 14 -11.398 7.350 6.107 1.00 0.00 C ATOM 214 C GLY A 14 -10.503 6.272 6.688 1.00 0.00 C ATOM 215 O GLY A 14 -10.390 6.143 7.908 1.00 0.00 O ATOM 0 H GLY A 14 -9.864 8.256 5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.561 8.126 6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.373 6.923 5.872 1.00 0.00 H new ATOM 219 N SER A 15 -9.866 5.495 5.808 1.00 0.00 N ATOM 220 CA SER A 15 -8.973 4.418 6.229 1.00 0.00 C ATOM 221 C SER A 15 -8.270 3.795 5.024 1.00 0.00 C ATOM 222 O SER A 15 -8.890 3.572 3.982 1.00 0.00 O ATOM 223 CB SER A 15 -9.761 3.342 6.986 1.00 0.00 C ATOM 224 OG SER A 15 -10.851 2.863 6.213 1.00 0.00 O ATOM 0 H SER A 15 -9.954 5.594 4.797 1.00 0.00 H new ATOM 0 HA SER A 15 -8.218 4.841 6.891 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.099 2.513 7.239 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.131 3.752 7.926 1.00 0.00 H new ATOM 0 HG SER A 15 -11.335 2.177 6.719 1.00 0.00 H new ATOM 230 N ARG A 16 -6.976 3.514 5.176 1.00 0.00 N ATOM 231 CA ARG A 16 -6.192 2.912 4.099 1.00 0.00 C ATOM 232 C ARG A 16 -5.384 1.702 4.591 1.00 0.00 C ATOM 233 O ARG A 16 -4.441 1.269 3.924 1.00 0.00 O ATOM 234 CB ARG A 16 -5.254 3.955 3.480 1.00 0.00 C ATOM 235 CG ARG A 16 -4.907 3.675 2.024 1.00 0.00 C ATOM 236 CD ARG A 16 -6.155 3.570 1.160 1.00 0.00 C ATOM 237 NE ARG A 16 -6.624 2.188 1.032 1.00 0.00 N ATOM 238 CZ ARG A 16 -7.871 1.851 0.682 1.00 0.00 C ATOM 239 NH1 ARG A 16 -8.778 2.789 0.416 1.00 0.00 N ATOM 240 NH2 ARG A 16 -8.213 0.569 0.601 1.00 0.00 N ATOM 0 H ARG A 16 -6.450 3.693 6.032 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.890 2.559 3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.720 4.938 3.551 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.334 3.995 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.266 4.470 1.643 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.338 2.747 1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.947 4.182 1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.944 3.974 0.170 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.960 1.437 1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.525 3.775 0.478 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.726 2.521 0.150 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.525 -0.156 0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.163 0.310 0.334 1.00 0.00 H new ATOM 254 N THR A 17 -5.759 1.152 5.752 1.00 0.00 N ATOM 255 CA THR A 17 -5.066 -0.007 6.309 1.00 0.00 C ATOM 256 C THR A 17 -5.809 -1.296 5.951 1.00 0.00 C ATOM 257 O THR A 17 -6.993 -1.445 6.259 1.00 0.00 O ATOM 258 CB THR A 17 -4.916 0.123 7.833 1.00 0.00 C ATOM 259 OG1 THR A 17 -6.133 -0.174 8.497 1.00 0.00 O ATOM 260 CG2 THR A 17 -4.484 1.503 8.283 1.00 0.00 C ATOM 0 H THR A 17 -6.536 1.492 6.319 1.00 0.00 H new ATOM 0 HA THR A 17 -4.068 -0.048 5.873 1.00 0.00 H new ATOM 0 HB THR A 17 -4.138 -0.593 8.096 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.750 -0.606 7.871 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.399 1.521 9.369 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.518 1.745 7.839 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.224 2.238 7.965 1.00 0.00 H new ATOM 268 N VAL A 18 -5.114 -2.216 5.282 1.00 0.00 N ATOM 269 CA VAL A 18 -5.715 -3.484 4.867 1.00 0.00 C ATOM 270 C VAL A 18 -4.691 -4.625 4.894 1.00 0.00 C ATOM 271 O VAL A 18 -3.483 -4.389 4.974 1.00 0.00 O ATOM 272 CB VAL A 18 -6.316 -3.385 3.441 1.00 0.00 C ATOM 273 CG1 VAL A 18 -7.482 -4.351 3.275 1.00 0.00 C ATOM 274 CG2 VAL A 18 -6.756 -1.961 3.125 1.00 0.00 C ATOM 0 H VAL A 18 -4.135 -2.107 5.016 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.511 -3.699 5.580 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.534 -3.662 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.887 -4.263 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.135 -5.371 3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.259 -4.111 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.173 -1.924 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.513 -1.646 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.897 -1.293 3.187 1.00 0.00 H new ATOM 284 N ARG A 19 -5.185 -5.864 4.816 1.00 0.00 N ATOM 285 CA ARG A 19 -4.324 -7.047 4.817 1.00 0.00 C ATOM 286 C ARG A 19 -4.573 -7.887 3.566 1.00 0.00 C ATOM 287 O ARG A 19 -5.711 -8.001 3.107 1.00 0.00 O ATOM 288 CB ARG A 19 -4.573 -7.891 6.070 1.00 0.00 C ATOM 289 CG ARG A 19 -3.659 -7.541 7.234 1.00 0.00 C ATOM 290 CD ARG A 19 -4.345 -6.611 8.221 1.00 0.00 C ATOM 291 NE ARG A 19 -3.765 -5.269 8.205 1.00 0.00 N ATOM 292 CZ ARG A 19 -3.917 -4.376 9.189 1.00 0.00 C ATOM 293 NH1 ARG A 19 -4.641 -4.672 10.267 1.00 0.00 N ATOM 294 NH2 ARG A 19 -3.345 -3.180 9.091 1.00 0.00 N ATOM 0 H ARG A 19 -6.181 -6.073 4.751 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.286 -6.715 4.819 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.610 -7.764 6.383 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.442 -8.944 5.820 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.353 -8.454 7.745 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.752 -7.068 6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.407 -6.550 7.983 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.267 -7.027 9.225 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.210 -4.997 7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.085 -5.587 10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.751 -3.984 11.012 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.792 -2.945 8.267 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.459 -2.497 9.840 1.00 0.00 H new ATOM 308 N VAL A 20 -3.508 -8.471 3.018 1.00 0.00 N ATOM 309 CA VAL A 20 -3.623 -9.296 1.817 1.00 0.00 C ATOM 310 C VAL A 20 -3.579 -10.783 2.163 1.00 0.00 C ATOM 311 O VAL A 20 -2.602 -11.266 2.739 1.00 0.00 O ATOM 312 CB VAL A 20 -2.507 -8.977 0.797 1.00 0.00 C ATOM 313 CG1 VAL A 20 -2.761 -9.689 -0.526 1.00 0.00 C ATOM 314 CG2 VAL A 20 -2.386 -7.475 0.584 1.00 0.00 C ATOM 0 H VAL A 20 -2.560 -8.389 3.385 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.587 -9.061 1.366 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.564 -9.342 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.962 -9.449 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.787 -10.766 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.716 -9.362 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.595 -7.272 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.331 -7.084 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.146 -6.991 1.531 1.00 0.00 H new ATOM 324 N ASP A 21 -4.646 -11.501 1.810 1.00 0.00 N ATOM 325 CA ASP A 21 -4.741 -12.931 2.081 1.00 0.00 C ATOM 326 C ASP A 21 -5.275 -13.682 0.867 1.00 0.00 C ATOM 327 O ASP A 21 -4.655 -14.632 0.385 1.00 0.00 O ATOM 328 CB ASP A 21 -5.649 -13.177 3.286 1.00 0.00 C ATOM 329 CG ASP A 21 -4.864 -13.491 4.545 1.00 0.00 C ATOM 330 OD1 ASP A 21 -4.543 -14.678 4.764 1.00 0.00 O ATOM 331 OD2 ASP A 21 -4.567 -12.549 5.310 1.00 0.00 O ATOM 0 H ASP A 21 -5.459 -11.111 1.333 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.740 -13.303 2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.268 -12.296 3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.324 -14.004 3.066 1.00 0.00 H new ATOM 336 N VAL A 22 -6.432 -13.245 0.381 1.00 0.00 N ATOM 337 CA VAL A 22 -7.068 -13.857 -0.776 1.00 0.00 C ATOM 338 C VAL A 22 -6.561 -13.241 -2.077 1.00 0.00 C ATOM 339 O VAL A 22 -6.115 -12.090 -2.098 1.00 0.00 O ATOM 340 CB VAL A 22 -8.602 -13.711 -0.714 1.00 0.00 C ATOM 341 CG1 VAL A 22 -9.202 -14.719 0.255 1.00 0.00 C ATOM 342 CG2 VAL A 22 -9.005 -12.290 -0.337 1.00 0.00 C ATOM 0 H VAL A 22 -6.951 -12.461 0.776 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.808 -14.915 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.998 -13.917 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.285 -14.597 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.958 -15.729 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.793 -14.553 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.092 -12.217 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.592 -12.042 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.619 -11.593 -1.081 1.00 0.00 H new ATOM 352 N ASP A 23 -6.636 -14.011 -3.162 1.00 0.00 N ATOM 353 CA ASP A 23 -6.189 -13.544 -4.472 1.00 0.00 C ATOM 354 C ASP A 23 -7.354 -13.494 -5.461 1.00 0.00 C ATOM 355 O ASP A 23 -8.013 -14.504 -5.714 1.00 0.00 O ATOM 356 CB ASP A 23 -5.070 -14.443 -5.015 1.00 0.00 C ATOM 357 CG ASP A 23 -5.482 -15.900 -5.137 1.00 0.00 C ATOM 358 OD1 ASP A 23 -5.650 -16.560 -4.089 1.00 0.00 O ATOM 359 OD2 ASP A 23 -5.632 -16.380 -6.278 1.00 0.00 O ATOM 0 H ASP A 23 -7.003 -14.963 -3.159 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.797 -12.534 -4.352 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.760 -14.076 -5.994 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.203 -14.371 -4.358 1.00 0.00 H new ATOM 364 N GLY A 24 -7.597 -12.306 -6.015 1.00 0.00 N ATOM 365 CA GLY A 24 -8.677 -12.134 -6.972 1.00 0.00 C ATOM 366 C GLY A 24 -8.348 -11.087 -8.021 1.00 0.00 C ATOM 367 O GLY A 24 -7.928 -11.427 -9.126 1.00 0.00 O ATOM 0 H GLY A 24 -7.064 -11.459 -5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.882 -13.086 -7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.586 -11.845 -6.444 1.00 0.00 H new ATOM 371 N ASP A 25 -8.531 -9.814 -7.674 1.00 0.00 N ATOM 372 CA ASP A 25 -8.240 -8.718 -8.597 1.00 0.00 C ATOM 373 C ASP A 25 -7.384 -7.640 -7.925 1.00 0.00 C ATOM 374 O ASP A 25 -7.408 -6.475 -8.326 1.00 0.00 O ATOM 375 CB ASP A 25 -9.544 -8.105 -9.116 1.00 0.00 C ATOM 376 CG ASP A 25 -9.442 -7.673 -10.566 1.00 0.00 C ATOM 377 OD1 ASP A 25 -8.766 -6.659 -10.841 1.00 0.00 O ATOM 378 OD2 ASP A 25 -10.040 -8.348 -11.430 1.00 0.00 O ATOM 0 H ASP A 25 -8.879 -9.516 -6.762 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.676 -9.125 -9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.350 -8.831 -9.012 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.808 -7.245 -8.501 1.00 0.00 H new ATOM 383 N ALA A 26 -6.627 -8.033 -6.900 1.00 0.00 N ATOM 384 CA ALA A 26 -5.768 -7.101 -6.179 1.00 0.00 C ATOM 385 C ALA A 26 -4.313 -7.549 -6.239 1.00 0.00 C ATOM 386 O ALA A 26 -3.965 -8.618 -5.735 1.00 0.00 O ATOM 387 CB ALA A 26 -6.230 -6.967 -4.734 1.00 0.00 C ATOM 0 H ALA A 26 -6.593 -8.991 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.840 -6.125 -6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.580 -6.268 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.255 -6.596 -4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.187 -7.941 -4.246 1.00 0.00 H new ATOM 393 N THR A 27 -3.469 -6.727 -6.861 1.00 0.00 N ATOM 394 CA THR A 27 -2.047 -7.035 -6.992 1.00 0.00 C ATOM 395 C THR A 27 -1.207 -6.131 -6.094 1.00 0.00 C ATOM 396 O THR A 27 -1.728 -5.205 -5.467 1.00 0.00 O ATOM 397 CB THR A 27 -1.593 -6.901 -8.453 1.00 0.00 C ATOM 398 OG1 THR A 27 -2.624 -6.369 -9.268 1.00 0.00 O ATOM 399 CG2 THR A 27 -1.164 -8.221 -9.060 1.00 0.00 C ATOM 0 H THR A 27 -3.747 -5.841 -7.283 1.00 0.00 H new ATOM 0 HA THR A 27 -1.899 -8.067 -6.675 1.00 0.00 H new ATOM 0 HB THR A 27 -0.737 -6.226 -8.425 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.305 -6.294 -10.192 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.854 -8.063 -10.093 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.330 -8.630 -8.490 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.999 -8.921 -9.035 1.00 0.00 H new ATOM 407 N VAL A 28 0.099 -6.394 -6.044 1.00 0.00 N ATOM 408 CA VAL A 28 1.009 -5.596 -5.230 1.00 0.00 C ATOM 409 C VAL A 28 1.228 -4.237 -5.877 1.00 0.00 C ATOM 410 O VAL A 28 1.314 -3.220 -5.191 1.00 0.00 O ATOM 411 CB VAL A 28 2.372 -6.298 -5.029 1.00 0.00 C ATOM 412 CG1 VAL A 28 3.287 -5.470 -4.135 1.00 0.00 C ATOM 413 CG2 VAL A 28 2.174 -7.693 -4.451 1.00 0.00 C ATOM 0 H VAL A 28 0.548 -7.153 -6.557 1.00 0.00 H new ATOM 0 HA VAL A 28 0.548 -5.472 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 28 2.851 -6.393 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.239 -5.987 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.460 -4.496 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.818 -5.334 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.144 -8.172 -4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.669 -7.619 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.568 -8.287 -5.134 1.00 0.00 H new ATOM 423 N GLY A 29 1.287 -4.226 -7.210 1.00 0.00 N ATOM 424 CA GLY A 29 1.465 -2.983 -7.924 1.00 0.00 C ATOM 425 C GLY A 29 0.177 -2.181 -7.993 1.00 0.00 C ATOM 426 O GLY A 29 0.205 -0.951 -7.960 1.00 0.00 O ATOM 0 H GLY A 29 1.214 -5.055 -7.800 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.236 -2.390 -7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.818 -3.192 -8.934 1.00 0.00 H new ATOM 430 N ASP A 30 -0.954 -2.897 -8.070 1.00 0.00 N ATOM 431 CA ASP A 30 -2.280 -2.274 -8.125 1.00 0.00 C ATOM 432 C ASP A 30 -2.537 -1.419 -6.879 1.00 0.00 C ATOM 433 O ASP A 30 -3.136 -0.346 -6.965 1.00 0.00 O ATOM 434 CB ASP A 30 -3.358 -3.358 -8.257 1.00 0.00 C ATOM 435 CG ASP A 30 -4.775 -2.807 -8.229 1.00 0.00 C ATOM 436 OD1 ASP A 30 -5.051 -1.821 -8.946 1.00 0.00 O ATOM 437 OD2 ASP A 30 -5.614 -3.370 -7.492 1.00 0.00 O ATOM 0 H ASP A 30 -0.974 -3.916 -8.096 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.319 -1.620 -8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.205 -3.900 -9.190 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.240 -4.078 -7.447 1.00 0.00 H new ATOM 442 N ALA A 31 -2.065 -1.895 -5.723 1.00 0.00 N ATOM 443 CA ALA A 31 -2.226 -1.168 -4.464 1.00 0.00 C ATOM 444 C ALA A 31 -1.094 -0.166 -4.265 1.00 0.00 C ATOM 445 O ALA A 31 -1.291 0.885 -3.654 1.00 0.00 O ATOM 446 CB ALA A 31 -2.291 -2.137 -3.289 1.00 0.00 C ATOM 0 H ALA A 31 -1.568 -2.781 -5.635 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.165 -0.617 -4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.411 -1.577 -2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.139 -2.810 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.370 -2.718 -3.245 1.00 0.00 H new ATOM 452 N LEU A 32 0.091 -0.490 -4.790 1.00 0.00 N ATOM 453 CA LEU A 32 1.247 0.393 -4.675 1.00 0.00 C ATOM 454 C LEU A 32 0.963 1.735 -5.341 1.00 0.00 C ATOM 455 O LEU A 32 1.020 2.780 -4.695 1.00 0.00 O ATOM 456 CB LEU A 32 2.480 -0.253 -5.309 1.00 0.00 C ATOM 457 CG LEU A 32 3.817 0.395 -4.938 1.00 0.00 C ATOM 458 CD1 LEU A 32 4.681 -0.582 -4.151 1.00 0.00 C ATOM 459 CD2 LEU A 32 4.545 0.875 -6.187 1.00 0.00 C ATOM 0 H LEU A 32 0.271 -1.356 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 32 1.443 0.561 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.510 -1.303 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.369 -0.225 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 32 3.618 1.261 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.628 -0.106 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.162 -0.872 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.872 -1.468 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.493 1.332 -5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.734 0.028 -6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.930 1.609 -6.707 1.00 0.00 H new ATOM 471 N ASP A 33 0.648 1.693 -6.638 1.00 0.00 N ATOM 472 CA ASP A 33 0.348 2.905 -7.397 1.00 0.00 C ATOM 473 C ASP A 33 -0.893 3.605 -6.841 1.00 0.00 C ATOM 474 O ASP A 33 -0.958 4.835 -6.807 1.00 0.00 O ATOM 475 CB ASP A 33 0.168 2.572 -8.884 1.00 0.00 C ATOM 476 CG ASP A 33 -1.250 2.160 -9.241 1.00 0.00 C ATOM 477 OD1 ASP A 33 -1.668 1.059 -8.836 1.00 0.00 O ATOM 478 OD2 ASP A 33 -1.939 2.941 -9.929 1.00 0.00 O ATOM 0 H ASP A 33 0.595 0.832 -7.182 1.00 0.00 H new ATOM 0 HA ASP A 33 1.190 3.590 -7.297 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.447 3.441 -9.480 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.852 1.767 -9.154 1.00 0.00 H new ATOM 483 N ALA A 34 -1.872 2.808 -6.402 1.00 0.00 N ATOM 484 CA ALA A 34 -3.110 3.343 -5.838 1.00 0.00 C ATOM 485 C ALA A 34 -2.814 4.204 -4.617 1.00 0.00 C ATOM 486 O ALA A 34 -3.261 5.350 -4.533 1.00 0.00 O ATOM 487 CB ALA A 34 -4.067 2.219 -5.469 1.00 0.00 C ATOM 0 H ALA A 34 -1.829 1.789 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.585 3.965 -6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.981 2.642 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.309 1.640 -6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.597 1.569 -4.731 1.00 0.00 H new ATOM 493 N LEU A 35 -2.048 3.645 -3.681 1.00 0.00 N ATOM 494 CA LEU A 35 -1.673 4.356 -2.463 1.00 0.00 C ATOM 495 C LEU A 35 -0.742 5.523 -2.784 1.00 0.00 C ATOM 496 O LEU A 35 -0.755 6.540 -2.088 1.00 0.00 O ATOM 497 CB LEU A 35 -1.001 3.400 -1.470 1.00 0.00 C ATOM 498 CG LEU A 35 -1.954 2.648 -0.534 1.00 0.00 C ATOM 499 CD1 LEU A 35 -3.080 1.984 -1.318 1.00 0.00 C ATOM 500 CD2 LEU A 35 -1.189 1.612 0.279 1.00 0.00 C ATOM 0 H LEU A 35 -1.675 2.698 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.580 4.753 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.419 2.669 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.297 3.969 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.399 3.371 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.741 1.458 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.647 2.744 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.658 1.275 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.879 1.086 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.716 0.898 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.424 2.110 0.875 1.00 0.00 H new ATOM 512 N VAL A 36 0.061 5.375 -3.842 1.00 0.00 N ATOM 513 CA VAL A 36 0.990 6.432 -4.249 1.00 0.00 C ATOM 514 C VAL A 36 0.231 7.697 -4.655 1.00 0.00 C ATOM 515 O VAL A 36 0.521 8.787 -4.159 1.00 0.00 O ATOM 516 CB VAL A 36 1.898 5.986 -5.419 1.00 0.00 C ATOM 517 CG1 VAL A 36 2.692 7.165 -5.968 1.00 0.00 C ATOM 518 CG2 VAL A 36 2.835 4.870 -4.978 1.00 0.00 C ATOM 0 H VAL A 36 0.086 4.540 -4.428 1.00 0.00 H new ATOM 0 HA VAL A 36 1.620 6.645 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 36 1.260 5.604 -6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.323 6.827 -6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.005 7.930 -6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.317 7.582 -5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.465 4.571 -5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.463 5.224 -4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.249 4.015 -4.641 1.00 0.00 H new ATOM 528 N GLY A 37 -0.737 7.542 -5.558 1.00 0.00 N ATOM 529 CA GLY A 37 -1.521 8.685 -6.015 1.00 0.00 C ATOM 530 C GLY A 37 -2.553 8.335 -7.076 1.00 0.00 C ATOM 531 O GLY A 37 -2.882 9.169 -7.920 1.00 0.00 O ATOM 0 H GLY A 37 -0.993 6.650 -5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.029 9.131 -5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.845 9.441 -6.414 1.00 0.00 H new ATOM 535 N ALA A 38 -3.071 7.107 -7.029 1.00 0.00 N ATOM 536 CA ALA A 38 -4.077 6.656 -7.988 1.00 0.00 C ATOM 537 C ALA A 38 -5.473 6.600 -7.356 1.00 0.00 C ATOM 538 O ALA A 38 -6.447 6.253 -8.028 1.00 0.00 O ATOM 539 CB ALA A 38 -3.692 5.297 -8.559 1.00 0.00 C ATOM 0 H ALA A 38 -2.809 6.407 -6.335 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.113 7.382 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.451 4.974 -9.272 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.729 5.374 -9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.621 4.570 -7.750 1.00 0.00 H new ATOM 545 N HIS A 39 -5.568 6.945 -6.068 1.00 0.00 N ATOM 546 CA HIS A 39 -6.835 6.931 -5.361 1.00 0.00 C ATOM 547 C HIS A 39 -7.117 8.305 -4.764 1.00 0.00 C ATOM 548 O HIS A 39 -7.088 8.477 -3.544 1.00 0.00 O ATOM 549 CB HIS A 39 -6.820 5.863 -4.262 1.00 0.00 C ATOM 550 CG HIS A 39 -7.472 4.575 -4.658 1.00 0.00 C ATOM 551 ND1 HIS A 39 -7.055 3.347 -4.185 1.00 0.00 N ATOM 552 CD2 HIS A 39 -8.518 4.321 -5.482 1.00 0.00 C ATOM 553 CE1 HIS A 39 -7.814 2.398 -4.702 1.00 0.00 C ATOM 554 NE2 HIS A 39 -8.709 2.962 -5.490 1.00 0.00 N ATOM 0 H HIS A 39 -4.774 7.237 -5.499 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.629 6.688 -6.068 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.787 5.663 -3.977 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.323 6.257 -3.379 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.094 5.052 -6.030 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.718 1.339 -4.512 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.427 2.468 -6.020 1.00 0.00 H new ATOM 563 N PRO A 40 -7.397 9.307 -5.625 1.00 0.00 N ATOM 564 CA PRO A 40 -7.696 10.680 -5.195 1.00 0.00 C ATOM 565 C PRO A 40 -8.658 10.755 -4.005 1.00 0.00 C ATOM 566 O PRO A 40 -8.688 11.762 -3.298 1.00 0.00 O ATOM 567 CB PRO A 40 -8.343 11.278 -6.437 1.00 0.00 C ATOM 568 CG PRO A 40 -7.657 10.595 -7.563 1.00 0.00 C ATOM 569 CD PRO A 40 -7.445 9.179 -7.100 1.00 0.00 C ATOM 0 HA PRO A 40 -6.803 11.198 -4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.417 11.096 -6.455 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.202 12.358 -6.480 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.262 10.626 -8.469 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.708 11.078 -7.797 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.256 8.525 -7.421 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.521 8.760 -7.498 1.00 0.00 H new ATOM 577 N ALA A 41 -9.445 9.692 -3.787 1.00 0.00 N ATOM 578 CA ALA A 41 -10.400 9.643 -2.679 1.00 0.00 C ATOM 579 C ALA A 41 -9.746 10.006 -1.339 1.00 0.00 C ATOM 580 O ALA A 41 -10.418 10.507 -0.439 1.00 0.00 O ATOM 581 CB ALA A 41 -11.046 8.264 -2.597 1.00 0.00 C ATOM 0 H ALA A 41 -9.436 8.853 -4.368 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.170 10.388 -2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.754 8.242 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.571 8.052 -3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.275 7.510 -2.436 1.00 0.00 H new ATOM 587 N LEU A 42 -8.437 9.750 -1.210 1.00 0.00 N ATOM 588 CA LEU A 42 -7.709 10.056 0.018 1.00 0.00 C ATOM 589 C LEU A 42 -6.662 11.159 -0.201 1.00 0.00 C ATOM 590 O LEU A 42 -5.883 11.468 0.701 1.00 0.00 O ATOM 591 CB LEU A 42 -7.026 8.796 0.561 1.00 0.00 C ATOM 592 CG LEU A 42 -6.321 7.907 -0.470 1.00 0.00 C ATOM 593 CD1 LEU A 42 -5.303 8.704 -1.278 1.00 0.00 C ATOM 594 CD2 LEU A 42 -5.645 6.739 0.234 1.00 0.00 C ATOM 0 H LEU A 42 -7.865 9.332 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.435 10.419 0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.293 9.099 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.776 8.195 1.075 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.069 7.523 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.819 8.048 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.809 9.513 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.552 9.121 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.145 6.110 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.911 7.118 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.394 6.151 0.765 1.00 0.00 H new ATOM 606 N GLU A 43 -6.642 11.751 -1.396 1.00 0.00 N ATOM 607 CA GLU A 43 -5.687 12.806 -1.713 1.00 0.00 C ATOM 608 C GLU A 43 -6.289 14.187 -1.458 1.00 0.00 C ATOM 609 O GLU A 43 -7.306 14.547 -2.055 1.00 0.00 O ATOM 610 CB GLU A 43 -5.245 12.688 -3.172 1.00 0.00 C ATOM 611 CG GLU A 43 -4.087 13.602 -3.535 1.00 0.00 C ATOM 612 CD GLU A 43 -3.400 13.190 -4.822 1.00 0.00 C ATOM 613 OE1 GLU A 43 -3.981 13.415 -5.904 1.00 0.00 O ATOM 614 OE2 GLU A 43 -2.281 12.639 -4.747 1.00 0.00 O ATOM 0 H GLU A 43 -7.278 11.516 -2.158 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.820 12.688 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.958 11.656 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.092 12.915 -3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.453 14.624 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.360 13.601 -2.723 1.00 0.00 H new ATOM 621 N SER A 44 -5.652 14.958 -0.575 1.00 0.00 N ATOM 622 CA SER A 44 -6.119 16.303 -0.246 1.00 0.00 C ATOM 623 C SER A 44 -5.355 17.353 -1.056 1.00 0.00 C ATOM 624 O SER A 44 -5.962 18.190 -1.727 1.00 0.00 O ATOM 625 CB SER A 44 -5.957 16.571 1.254 1.00 0.00 C ATOM 626 OG SER A 44 -6.153 17.943 1.559 1.00 0.00 O ATOM 0 H SER A 44 -4.810 14.672 -0.075 1.00 0.00 H new ATOM 0 HA SER A 44 -7.176 16.371 -0.503 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.672 15.967 1.812 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.961 16.264 1.575 1.00 0.00 H new ATOM 0 HG SER A 44 -6.045 18.083 2.523 1.00 0.00 H new ATOM 632 N ARG A 45 -4.022 17.299 -0.988 1.00 0.00 N ATOM 633 CA ARG A 45 -3.169 18.239 -1.714 1.00 0.00 C ATOM 634 C ARG A 45 -1.932 17.534 -2.268 1.00 0.00 C ATOM 635 O ARG A 45 -1.414 16.601 -1.654 1.00 0.00 O ATOM 636 CB ARG A 45 -2.740 19.394 -0.800 1.00 0.00 C ATOM 637 CG ARG A 45 -3.895 20.066 -0.070 1.00 0.00 C ATOM 638 CD ARG A 45 -3.820 21.582 -0.172 1.00 0.00 C ATOM 639 NE ARG A 45 -4.660 22.105 -1.251 1.00 0.00 N ATOM 640 CZ ARG A 45 -5.996 22.131 -1.213 1.00 0.00 C ATOM 641 NH1 ARG A 45 -6.653 21.648 -0.159 1.00 0.00 N ATOM 642 NH2 ARG A 45 -6.678 22.635 -2.237 1.00 0.00 N ATOM 0 H ARG A 45 -3.510 16.611 -0.435 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.747 18.640 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.029 19.017 -0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.217 20.141 -1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.840 19.720 -0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.883 19.771 0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.130 22.024 0.775 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.786 21.883 -0.340 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.197 22.472 -2.083 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.136 21.254 0.627 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.673 21.672 -0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.182 23.001 -3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.697 22.656 -2.210 1.00 0.00 H new ATOM 656 N VAL A 46 -1.463 17.991 -3.431 1.00 0.00 N ATOM 657 CA VAL A 46 -0.283 17.408 -4.071 1.00 0.00 C ATOM 658 C VAL A 46 0.895 18.397 -4.092 1.00 0.00 C ATOM 659 O VAL A 46 1.842 18.220 -4.863 1.00 0.00 O ATOM 660 CB VAL A 46 -0.582 16.942 -5.520 1.00 0.00 C ATOM 661 CG1 VAL A 46 -0.812 15.439 -5.563 1.00 0.00 C ATOM 662 CG2 VAL A 46 -1.774 17.688 -6.108 1.00 0.00 C ATOM 0 H VAL A 46 -1.883 18.763 -3.949 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.009 16.539 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 46 0.289 17.175 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.020 15.132 -6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.079 14.924 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.660 15.182 -4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.957 17.338 -7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.657 17.503 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.562 18.757 -6.125 1.00 0.00 H new ATOM 672 N PHE A 47 0.831 19.428 -3.235 1.00 0.00 N ATOM 673 CA PHE A 47 1.884 20.446 -3.141 1.00 0.00 C ATOM 674 C PHE A 47 1.919 21.336 -4.386 1.00 0.00 C ATOM 675 O PHE A 47 1.600 22.523 -4.310 1.00 0.00 O ATOM 676 CB PHE A 47 3.252 19.796 -2.908 1.00 0.00 C ATOM 677 CG PHE A 47 4.312 20.767 -2.465 1.00 0.00 C ATOM 678 CD1 PHE A 47 4.426 21.128 -1.131 1.00 0.00 C ATOM 679 CD2 PHE A 47 5.191 21.318 -3.382 1.00 0.00 C ATOM 680 CE1 PHE A 47 5.398 22.020 -0.722 1.00 0.00 C ATOM 681 CE2 PHE A 47 6.166 22.210 -2.978 1.00 0.00 C ATOM 682 CZ PHE A 47 6.270 22.562 -1.647 1.00 0.00 C ATOM 0 H PHE A 47 0.053 19.577 -2.593 1.00 0.00 H new ATOM 0 HA PHE A 47 1.650 21.079 -2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.150 19.014 -2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.577 19.312 -3.829 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.747 20.707 -0.404 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.114 21.048 -4.425 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.476 22.294 0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.846 22.632 -3.703 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.031 23.259 -1.329 1.00 0.00 H new ATOM 692 N GLY A 48 2.306 20.761 -5.528 1.00 0.00 N ATOM 693 CA GLY A 48 2.374 21.521 -6.766 1.00 0.00 C ATOM 694 C GLY A 48 1.049 21.571 -7.516 1.00 0.00 C ATOM 695 O GLY A 48 0.960 22.219 -8.561 1.00 0.00 O ATOM 0 H GLY A 48 2.573 19.781 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.696 22.538 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.133 21.081 -7.413 1.00 0.00 H new ATOM 699 N ASP A 49 0.020 20.890 -6.984 1.00 0.00 N ATOM 700 CA ASP A 49 -1.307 20.858 -7.604 1.00 0.00 C ATOM 701 C ASP A 49 -1.277 20.097 -8.929 1.00 0.00 C ATOM 702 O ASP A 49 -1.725 18.953 -9.001 1.00 0.00 O ATOM 703 CB ASP A 49 -1.844 22.283 -7.805 1.00 0.00 C ATOM 704 CG ASP A 49 -2.877 22.667 -6.761 1.00 0.00 C ATOM 705 OD1 ASP A 49 -2.571 22.568 -5.552 1.00 0.00 O ATOM 706 OD2 ASP A 49 -3.993 23.066 -7.150 1.00 0.00 O ATOM 0 H ASP A 49 0.087 20.352 -6.120 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.982 20.329 -6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.014 22.989 -7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.287 22.364 -8.797 1.00 0.00 H new ATOM 711 N ASP A 50 -0.737 20.731 -9.970 1.00 0.00 N ATOM 712 CA ASP A 50 -0.637 20.103 -11.283 1.00 0.00 C ATOM 713 C ASP A 50 0.823 20.016 -11.739 1.00 0.00 C ATOM 714 O ASP A 50 1.118 20.083 -12.935 1.00 0.00 O ATOM 715 CB ASP A 50 -1.473 20.875 -12.309 1.00 0.00 C ATOM 716 CG ASP A 50 -2.016 19.976 -13.401 1.00 0.00 C ATOM 717 OD1 ASP A 50 -3.008 19.262 -13.142 1.00 0.00 O ATOM 718 OD2 ASP A 50 -1.447 19.982 -14.513 1.00 0.00 O ATOM 0 H ASP A 50 -0.363 21.679 -9.927 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.029 19.089 -11.205 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.302 21.368 -11.802 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.862 21.659 -12.757 1.00 0.00 H new ATOM 723 N GLY A 51 1.734 19.864 -10.778 1.00 0.00 N ATOM 724 CA GLY A 51 3.147 19.769 -11.099 1.00 0.00 C ATOM 725 C GLY A 51 3.927 18.985 -10.061 1.00 0.00 C ATOM 726 O GLY A 51 4.073 19.433 -8.923 1.00 0.00 O ATOM 0 H GLY A 51 1.517 19.805 -9.783 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.264 19.293 -12.073 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.566 20.772 -11.182 1.00 0.00 H new ATOM 730 N GLU A 52 4.426 17.811 -10.454 1.00 0.00 N ATOM 731 CA GLU A 52 5.192 16.958 -9.549 1.00 0.00 C ATOM 732 C GLU A 52 6.434 16.392 -10.241 1.00 0.00 C ATOM 733 O GLU A 52 6.334 15.514 -11.101 1.00 0.00 O ATOM 734 CB GLU A 52 4.315 15.815 -9.022 1.00 0.00 C ATOM 735 CG GLU A 52 4.128 15.843 -7.509 1.00 0.00 C ATOM 736 CD GLU A 52 2.725 15.461 -7.072 1.00 0.00 C ATOM 737 OE1 GLU A 52 1.752 15.942 -7.691 1.00 0.00 O ATOM 738 OE2 GLU A 52 2.600 14.680 -6.104 1.00 0.00 O ATOM 0 H GLU A 52 4.312 17.431 -11.394 1.00 0.00 H new ATOM 0 HA GLU A 52 5.520 17.570 -8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.338 15.866 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.762 14.863 -9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.843 15.161 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.357 16.843 -7.140 1.00 0.00 H new ATOM 745 N LEU A 53 7.602 16.904 -9.855 1.00 0.00 N ATOM 746 CA LEU A 53 8.870 16.458 -10.431 1.00 0.00 C ATOM 747 C LEU A 53 9.664 15.610 -9.433 1.00 0.00 C ATOM 748 O LEU A 53 10.349 14.664 -9.825 1.00 0.00 O ATOM 749 CB LEU A 53 9.706 17.663 -10.874 1.00 0.00 C ATOM 750 CG LEU A 53 10.804 17.354 -11.896 1.00 0.00 C ATOM 751 CD1 LEU A 53 10.948 18.498 -12.887 1.00 0.00 C ATOM 752 CD2 LEU A 53 12.129 17.083 -11.195 1.00 0.00 C ATOM 0 H LEU A 53 7.696 17.630 -9.144 1.00 0.00 H new ATOM 0 HA LEU A 53 8.644 15.840 -11.300 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.038 18.413 -11.298 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.167 18.109 -9.993 1.00 0.00 H new ATOM 0 HG LEU A 53 10.518 16.457 -12.446 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.733 18.261 -13.605 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.005 18.643 -13.414 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.209 19.411 -12.353 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.896 16.866 -11.938 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.421 17.960 -10.618 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.019 16.229 -10.527 1.00 0.00 H new ATOM 764 N TYR A 54 9.569 15.953 -8.144 1.00 0.00 N ATOM 765 CA TYR A 54 10.280 15.221 -7.098 1.00 0.00 C ATOM 766 C TYR A 54 9.344 14.265 -6.361 1.00 0.00 C ATOM 767 O TYR A 54 8.230 14.638 -5.989 1.00 0.00 O ATOM 768 CB TYR A 54 10.918 16.196 -6.105 1.00 0.00 C ATOM 769 CG TYR A 54 11.766 15.522 -5.045 1.00 0.00 C ATOM 770 CD1 TYR A 54 12.837 14.709 -5.395 1.00 0.00 C ATOM 771 CD2 TYR A 54 11.491 15.696 -3.693 1.00 0.00 C ATOM 772 CE1 TYR A 54 13.610 14.090 -4.430 1.00 0.00 C ATOM 773 CE2 TYR A 54 12.260 15.082 -2.723 1.00 0.00 C ATOM 774 CZ TYR A 54 13.316 14.279 -3.096 1.00 0.00 C ATOM 775 OH TYR A 54 14.083 13.665 -2.130 1.00 0.00 O ATOM 0 H TYR A 54 9.006 16.733 -7.803 1.00 0.00 H new ATOM 0 HA TYR A 54 11.064 14.633 -7.575 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.536 16.906 -6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.130 16.770 -5.616 1.00 0.00 H new ATOM 0 HD1 TYR A 54 13.070 14.558 -6.439 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.662 16.322 -3.396 1.00 0.00 H new ATOM 0 HE1 TYR A 54 14.440 13.462 -4.719 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.035 15.231 -1.677 1.00 0.00 H new ATOM 0 HH TYR A 54 13.505 13.356 -1.401 1.00 0.00 H new ATOM 785 N ASP A 55 9.807 13.033 -6.156 1.00 0.00 N ATOM 786 CA ASP A 55 9.018 12.019 -5.464 1.00 0.00 C ATOM 787 C ASP A 55 9.692 11.594 -4.161 1.00 0.00 C ATOM 788 O ASP A 55 10.878 11.259 -4.145 1.00 0.00 O ATOM 789 CB ASP A 55 8.808 10.802 -6.369 1.00 0.00 C ATOM 790 CG ASP A 55 7.466 10.134 -6.135 1.00 0.00 C ATOM 791 OD1 ASP A 55 7.344 9.378 -5.147 1.00 0.00 O ATOM 792 OD2 ASP A 55 6.540 10.369 -6.938 1.00 0.00 O ATOM 0 H ASP A 55 10.727 12.714 -6.461 1.00 0.00 H new ATOM 0 HA ASP A 55 8.048 12.453 -5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.880 11.111 -7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.606 10.080 -6.194 1.00 0.00 H new ATOM 797 N HIS A 56 8.927 11.613 -3.070 1.00 0.00 N ATOM 798 CA HIS A 56 9.444 11.228 -1.758 1.00 0.00 C ATOM 799 C HIS A 56 8.354 10.566 -0.916 1.00 0.00 C ATOM 800 O HIS A 56 7.257 11.106 -0.774 1.00 0.00 O ATOM 801 CB HIS A 56 9.997 12.457 -1.028 1.00 0.00 C ATOM 802 CG HIS A 56 10.894 12.122 0.125 1.00 0.00 C ATOM 803 ND1 HIS A 56 12.163 12.645 0.269 1.00 0.00 N ATOM 804 CD2 HIS A 56 10.698 11.316 1.197 1.00 0.00 C ATOM 805 CE1 HIS A 56 12.707 12.176 1.378 1.00 0.00 C ATOM 806 NE2 HIS A 56 11.839 11.369 1.957 1.00 0.00 N ATOM 0 H HIS A 56 7.946 11.891 -3.069 1.00 0.00 H new ATOM 0 HA HIS A 56 10.249 10.508 -1.906 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.549 13.073 -1.739 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.163 13.058 -0.665 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.810 10.740 1.412 1.00 0.00 H new ATOM 0 HE1 HIS A 56 13.694 12.413 1.747 1.00 0.00 H new ATOM 0 HE2 HIS A 56 11.992 10.865 2.830 1.00 0.00 H new ATOM 815 N ILE A 57 8.666 9.394 -0.360 1.00 0.00 N ATOM 816 CA ILE A 57 7.717 8.654 0.468 1.00 0.00 C ATOM 817 C ILE A 57 8.404 7.481 1.169 1.00 0.00 C ATOM 818 O ILE A 57 9.332 6.879 0.625 1.00 0.00 O ATOM 819 CB ILE A 57 6.526 8.133 -0.370 1.00 0.00 C ATOM 820 CG1 ILE A 57 5.494 7.442 0.528 1.00 0.00 C ATOM 821 CG2 ILE A 57 7.008 7.187 -1.464 1.00 0.00 C ATOM 822 CD1 ILE A 57 4.182 7.155 -0.169 1.00 0.00 C ATOM 0 H ILE A 57 9.571 8.937 -0.470 1.00 0.00 H new ATOM 0 HA ILE A 57 7.337 9.345 1.220 1.00 0.00 H new ATOM 0 HB ILE A 57 6.046 8.987 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.913 6.505 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.304 8.070 1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.154 6.833 -2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.698 7.714 -2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.518 6.337 -1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.500 6.666 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.740 8.090 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.359 6.502 -1.024 1.00 0.00 H new ATOM 834 N ASN A 58 7.948 7.165 2.379 1.00 0.00 N ATOM 835 CA ASN A 58 8.522 6.068 3.152 1.00 0.00 C ATOM 836 C ASN A 58 7.616 4.839 3.122 1.00 0.00 C ATOM 837 O ASN A 58 6.390 4.957 3.165 1.00 0.00 O ATOM 838 CB ASN A 58 8.769 6.509 4.596 1.00 0.00 C ATOM 839 CG ASN A 58 10.163 7.075 4.800 1.00 0.00 C ATOM 840 OD1 ASN A 58 10.663 7.840 3.974 1.00 0.00 O ATOM 841 ND2 ASN A 58 10.801 6.705 5.907 1.00 0.00 N ATOM 0 H ASN A 58 7.183 7.653 2.845 1.00 0.00 H new ATOM 0 HA ASN A 58 9.474 5.797 2.697 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.031 7.261 4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.624 5.658 5.262 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.739 7.057 6.097 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.352 6.069 6.566 1.00 0.00 H new ATOM 848 N VAL A 59 8.226 3.660 3.043 1.00 0.00 N ATOM 849 CA VAL A 59 7.479 2.403 3.000 1.00 0.00 C ATOM 850 C VAL A 59 8.152 1.329 3.859 1.00 0.00 C ATOM 851 O VAL A 59 9.365 1.368 4.080 1.00 0.00 O ATOM 852 CB VAL A 59 7.342 1.895 1.545 1.00 0.00 C ATOM 853 CG1 VAL A 59 8.708 1.603 0.937 1.00 0.00 C ATOM 854 CG2 VAL A 59 6.442 0.667 1.479 1.00 0.00 C ATOM 0 H VAL A 59 9.239 3.547 3.007 1.00 0.00 H new ATOM 0 HA VAL A 59 6.486 2.600 3.403 1.00 0.00 H new ATOM 0 HB VAL A 59 6.876 2.685 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.583 1.248 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.307 2.514 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.213 0.839 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.362 0.330 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.868 -0.130 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.451 0.921 1.855 1.00 0.00 H new ATOM 864 N LEU A 60 7.358 0.369 4.342 1.00 0.00 N ATOM 865 CA LEU A 60 7.876 -0.713 5.169 1.00 0.00 C ATOM 866 C LEU A 60 7.682 -2.059 4.480 1.00 0.00 C ATOM 867 O LEU A 60 6.573 -2.398 4.071 1.00 0.00 O ATOM 868 CB LEU A 60 7.183 -0.723 6.537 1.00 0.00 C ATOM 869 CG LEU A 60 8.107 -0.949 7.739 1.00 0.00 C ATOM 870 CD1 LEU A 60 8.915 -2.229 7.571 1.00 0.00 C ATOM 871 CD2 LEU A 60 9.030 0.245 7.932 1.00 0.00 C ATOM 0 H LEU A 60 6.353 0.323 4.172 1.00 0.00 H new ATOM 0 HA LEU A 60 8.943 -0.545 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.666 0.227 6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.421 -1.502 6.534 1.00 0.00 H new ATOM 0 HG LEU A 60 7.487 -1.055 8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.563 -2.367 8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.237 -3.079 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.524 -2.159 6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.679 0.068 8.789 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.639 0.383 7.038 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.434 1.141 8.107 1.00 0.00 H new ATOM 883 N ARG A 61 8.767 -2.822 4.362 1.00 0.00 N ATOM 884 CA ARG A 61 8.717 -4.136 3.728 1.00 0.00 C ATOM 885 C ARG A 61 9.173 -5.222 4.699 1.00 0.00 C ATOM 886 O ARG A 61 10.092 -5.009 5.490 1.00 0.00 O ATOM 887 CB ARG A 61 9.595 -4.154 2.474 1.00 0.00 C ATOM 888 CG ARG A 61 9.123 -5.134 1.410 1.00 0.00 C ATOM 889 CD ARG A 61 9.355 -4.592 0.005 1.00 0.00 C ATOM 890 NE ARG A 61 8.126 -4.584 -0.789 1.00 0.00 N ATOM 891 CZ ARG A 61 7.179 -3.642 -0.697 1.00 0.00 C ATOM 892 NH1 ARG A 61 7.310 -2.634 0.164 1.00 0.00 N ATOM 893 NH2 ARG A 61 6.097 -3.712 -1.465 1.00 0.00 N ATOM 0 H ARG A 61 9.692 -2.552 4.698 1.00 0.00 H new ATOM 0 HA ARG A 61 7.685 -4.337 3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.622 -3.152 2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.616 -4.406 2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.650 -6.081 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.062 -5.341 1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.752 -3.579 0.068 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.108 -5.199 -0.498 1.00 0.00 H new ATOM 0 HE ARG A 61 7.982 -5.344 -1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.136 -2.576 0.759 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.584 -1.920 0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.988 -4.483 -2.124 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.375 -2.995 -1.396 1.00 0.00 H new ATOM 907 N ASN A 62 8.525 -6.387 4.630 1.00 0.00 N ATOM 908 CA ASN A 62 8.866 -7.514 5.503 1.00 0.00 C ATOM 909 C ASN A 62 10.297 -8.008 5.258 1.00 0.00 C ATOM 910 O ASN A 62 10.886 -8.664 6.120 1.00 0.00 O ATOM 911 CB ASN A 62 7.875 -8.666 5.297 1.00 0.00 C ATOM 912 CG ASN A 62 6.714 -8.610 6.273 1.00 0.00 C ATOM 913 OD1 ASN A 62 5.569 -8.389 5.880 1.00 0.00 O ATOM 914 ND2 ASN A 62 7.008 -8.809 7.555 1.00 0.00 N ATOM 0 H ASN A 62 7.762 -6.575 3.980 1.00 0.00 H new ATOM 0 HA ASN A 62 8.803 -7.162 6.533 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.491 -8.634 4.277 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.397 -9.616 5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.269 -8.782 8.258 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.972 -8.989 7.835 1.00 0.00 H new ATOM 921 N GLY A 63 10.843 -7.699 4.078 1.00 0.00 N ATOM 922 CA GLY A 63 12.192 -8.126 3.739 1.00 0.00 C ATOM 923 C GLY A 63 12.217 -9.167 2.630 1.00 0.00 C ATOM 924 O GLY A 63 13.174 -9.937 2.522 1.00 0.00 O ATOM 0 H GLY A 63 10.372 -7.160 3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.777 -7.259 3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 63 12.673 -8.536 4.627 1.00 0.00 H new ATOM 928 N GLU A 64 11.163 -9.195 1.810 1.00 0.00 N ATOM 929 CA GLU A 64 11.064 -10.146 0.709 1.00 0.00 C ATOM 930 C GLU A 64 11.036 -9.419 -0.634 1.00 0.00 C ATOM 931 O GLU A 64 10.834 -8.203 -0.686 1.00 0.00 O ATOM 932 CB GLU A 64 9.802 -10.999 0.867 1.00 0.00 C ATOM 933 CG GLU A 64 10.001 -12.460 0.490 1.00 0.00 C ATOM 934 CD GLU A 64 10.390 -13.323 1.676 1.00 0.00 C ATOM 935 OE1 GLU A 64 9.566 -13.465 2.605 1.00 0.00 O ATOM 936 OE2 GLU A 64 11.518 -13.858 1.674 1.00 0.00 O ATOM 0 H GLU A 64 10.365 -8.565 1.892 1.00 0.00 H new ATOM 0 HA GLU A 64 11.941 -10.793 0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.463 -10.943 1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.009 -10.578 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.081 -12.846 0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.774 -12.532 -0.275 1.00 0.00 H new ATOM 943 N ALA A 65 11.238 -10.172 -1.717 1.00 0.00 N ATOM 944 CA ALA A 65 11.234 -9.603 -3.063 1.00 0.00 C ATOM 945 C ALA A 65 9.914 -8.892 -3.353 1.00 0.00 C ATOM 946 O ALA A 65 8.842 -9.496 -3.276 1.00 0.00 O ATOM 947 CB ALA A 65 11.493 -10.689 -4.101 1.00 0.00 C ATOM 0 H ALA A 65 11.406 -11.178 -1.687 1.00 0.00 H new ATOM 0 HA ALA A 65 12.035 -8.866 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.487 -10.248 -5.098 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.464 -11.148 -3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.714 -11.448 -4.035 1.00 0.00 H new ATOM 953 N ALA A 66 10.000 -7.601 -3.673 1.00 0.00 N ATOM 954 CA ALA A 66 8.813 -6.797 -3.964 1.00 0.00 C ATOM 955 C ALA A 66 8.026 -7.367 -5.139 1.00 0.00 C ATOM 956 O ALA A 66 8.578 -7.597 -6.217 1.00 0.00 O ATOM 957 CB ALA A 66 9.197 -5.352 -4.248 1.00 0.00 C ATOM 0 H ALA A 66 10.880 -7.089 -3.737 1.00 0.00 H new ATOM 0 HA ALA A 66 8.175 -6.827 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.299 -4.772 -4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.702 -4.932 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.866 -5.316 -5.108 1.00 0.00 H new ATOM 963 N ALA A 67 6.729 -7.577 -4.925 1.00 0.00 N ATOM 964 CA ALA A 67 5.855 -8.105 -5.965 1.00 0.00 C ATOM 965 C ALA A 67 5.154 -6.968 -6.708 1.00 0.00 C ATOM 966 O ALA A 67 5.347 -5.794 -6.389 1.00 0.00 O ATOM 967 CB ALA A 67 4.835 -9.063 -5.366 1.00 0.00 C ATOM 0 H ALA A 67 6.261 -7.389 -4.038 1.00 0.00 H new ATOM 0 HA ALA A 67 6.465 -8.655 -6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.190 -9.448 -6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.354 -9.892 -4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.230 -8.536 -4.628 1.00 0.00 H new ATOM 973 N LEU A 68 4.336 -7.324 -7.698 1.00 0.00 N ATOM 974 CA LEU A 68 3.604 -6.334 -8.482 1.00 0.00 C ATOM 975 C LEU A 68 2.520 -7.001 -9.327 1.00 0.00 C ATOM 976 O LEU A 68 1.349 -6.626 -9.248 1.00 0.00 O ATOM 977 CB LEU A 68 4.564 -5.547 -9.379 1.00 0.00 C ATOM 978 CG LEU A 68 4.036 -4.201 -9.884 1.00 0.00 C ATOM 979 CD1 LEU A 68 5.143 -3.423 -10.576 1.00 0.00 C ATOM 980 CD2 LEU A 68 2.855 -4.398 -10.826 1.00 0.00 C ATOM 0 H LEU A 68 4.165 -8.291 -7.975 1.00 0.00 H new ATOM 0 HA LEU A 68 3.122 -5.643 -7.790 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.488 -5.372 -8.828 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.818 -6.165 -10.240 1.00 0.00 H new ATOM 0 HG LEU A 68 3.691 -3.627 -9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.751 -2.469 -10.929 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.956 -3.244 -9.873 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.517 -3.998 -11.423 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.499 -3.427 -11.171 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.169 -4.994 -11.683 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.052 -4.913 -10.300 1.00 0.00 H new ATOM 992 N GLY A 69 2.917 -7.991 -10.130 1.00 0.00 N ATOM 993 CA GLY A 69 1.969 -8.699 -10.978 1.00 0.00 C ATOM 994 C GLY A 69 1.368 -9.925 -10.307 1.00 0.00 C ATOM 995 O GLY A 69 0.847 -10.809 -10.988 1.00 0.00 O ATOM 0 H GLY A 69 3.881 -8.315 -10.207 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.167 -8.018 -11.263 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.470 -9.004 -11.897 1.00 0.00 H new ATOM 999 N GLU A 70 1.434 -9.980 -8.973 1.00 0.00 N ATOM 1000 CA GLU A 70 0.888 -11.103 -8.221 1.00 0.00 C ATOM 1001 C GLU A 70 0.975 -10.849 -6.716 1.00 0.00 C ATOM 1002 O GLU A 70 2.035 -11.010 -6.110 1.00 0.00 O ATOM 1003 CB GLU A 70 1.621 -12.404 -8.575 1.00 0.00 C ATOM 1004 CG GLU A 70 3.139 -12.272 -8.591 1.00 0.00 C ATOM 1005 CD GLU A 70 3.840 -13.571 -8.938 1.00 0.00 C ATOM 1006 OE1 GLU A 70 3.460 -14.624 -8.382 1.00 0.00 O ATOM 1007 OE2 GLU A 70 4.776 -13.535 -9.767 1.00 0.00 O ATOM 0 H GLU A 70 1.862 -9.256 -8.395 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.162 -11.206 -8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.341 -13.175 -7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.285 -12.744 -9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.425 -11.507 -9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.479 -11.931 -7.613 1.00 0.00 H new ATOM 1014 N ALA A 71 -0.150 -10.457 -6.120 1.00 0.00 N ATOM 1015 CA ALA A 71 -0.203 -10.193 -4.683 1.00 0.00 C ATOM 1016 C ALA A 71 -0.219 -11.491 -3.866 1.00 0.00 C ATOM 1017 O ALA A 71 -0.162 -11.452 -2.637 1.00 0.00 O ATOM 1018 CB ALA A 71 -1.420 -9.350 -4.343 1.00 0.00 C ATOM 0 H ALA A 71 -1.034 -10.316 -6.608 1.00 0.00 H new ATOM 0 HA ALA A 71 0.700 -9.643 -4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.444 -9.163 -3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.365 -8.401 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.325 -9.881 -4.639 1.00 0.00 H new ATOM 1024 N THR A 72 -0.291 -12.639 -4.552 1.00 0.00 N ATOM 1025 CA THR A 72 -0.308 -13.939 -3.884 1.00 0.00 C ATOM 1026 C THR A 72 1.116 -14.497 -3.724 1.00 0.00 C ATOM 1027 O THR A 72 1.334 -15.709 -3.781 1.00 0.00 O ATOM 1028 CB THR A 72 -1.192 -14.917 -4.672 1.00 0.00 C ATOM 1029 OG1 THR A 72 -1.341 -16.142 -3.973 1.00 0.00 O ATOM 1030 CG2 THR A 72 -0.661 -15.234 -6.054 1.00 0.00 C ATOM 0 H THR A 72 -0.338 -12.690 -5.570 1.00 0.00 H new ATOM 0 HA THR A 72 -0.726 -13.812 -2.885 1.00 0.00 H new ATOM 0 HB THR A 72 -2.150 -14.408 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.477 -16.411 -3.596 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.336 -15.930 -6.552 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.592 -14.315 -6.637 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.328 -15.685 -5.969 1.00 0.00 H new ATOM 1038 N ALA A 73 2.086 -13.604 -3.517 1.00 0.00 N ATOM 1039 CA ALA A 73 3.479 -14.002 -3.342 1.00 0.00 C ATOM 1040 C ALA A 73 3.797 -14.218 -1.863 1.00 0.00 C ATOM 1041 O ALA A 73 2.904 -14.166 -1.016 1.00 0.00 O ATOM 1042 CB ALA A 73 4.403 -12.949 -3.943 1.00 0.00 C ATOM 0 H ALA A 73 1.929 -12.597 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 73 3.640 -14.946 -3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.440 -13.255 -3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.192 -12.844 -5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.239 -11.994 -3.445 1.00 0.00 H new ATOM 1048 N ALA A 74 5.074 -14.459 -1.558 1.00 0.00 N ATOM 1049 CA ALA A 74 5.509 -14.679 -0.177 1.00 0.00 C ATOM 1050 C ALA A 74 5.066 -13.535 0.740 1.00 0.00 C ATOM 1051 O ALA A 74 4.765 -13.757 1.914 1.00 0.00 O ATOM 1052 CB ALA A 74 7.021 -14.857 -0.116 1.00 0.00 C ATOM 0 H ALA A 74 5.824 -14.507 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 74 5.033 -15.593 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.327 -15.019 0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.311 -15.717 -0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.509 -13.962 -0.502 1.00 0.00 H new ATOM 1058 N GLY A 75 5.024 -12.313 0.200 1.00 0.00 N ATOM 1059 CA GLY A 75 4.610 -11.161 0.985 1.00 0.00 C ATOM 1060 C GLY A 75 4.670 -9.864 0.199 1.00 0.00 C ATOM 1061 O GLY A 75 5.539 -9.696 -0.661 1.00 0.00 O ATOM 0 H GLY A 75 5.270 -12.104 -0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.592 -11.317 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.248 -11.078 1.865 1.00 0.00 H new ATOM 1065 N ASP A 76 3.751 -8.944 0.498 1.00 0.00 N ATOM 1066 CA ASP A 76 3.708 -7.651 -0.183 1.00 0.00 C ATOM 1067 C ASP A 76 4.583 -6.639 0.554 1.00 0.00 C ATOM 1068 O ASP A 76 5.720 -6.385 0.157 1.00 0.00 O ATOM 1069 CB ASP A 76 2.260 -7.138 -0.286 1.00 0.00 C ATOM 1070 CG ASP A 76 1.402 -7.937 -1.260 1.00 0.00 C ATOM 1071 OD1 ASP A 76 1.797 -9.064 -1.633 1.00 0.00 O ATOM 1072 OD2 ASP A 76 0.329 -7.429 -1.649 1.00 0.00 O ATOM 0 H ASP A 76 3.028 -9.071 1.206 1.00 0.00 H new ATOM 0 HA ASP A 76 4.096 -7.779 -1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.800 -7.170 0.702 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.274 -6.094 -0.598 1.00 0.00 H new ATOM 1077 N GLU A 77 4.047 -6.076 1.636 1.00 0.00 N ATOM 1078 CA GLU A 77 4.773 -5.100 2.447 1.00 0.00 C ATOM 1079 C GLU A 77 4.245 -5.102 3.883 1.00 0.00 C ATOM 1080 O GLU A 77 3.415 -5.940 4.245 1.00 0.00 O ATOM 1081 CB GLU A 77 4.653 -3.704 1.823 1.00 0.00 C ATOM 1082 CG GLU A 77 3.241 -3.143 1.822 1.00 0.00 C ATOM 1083 CD GLU A 77 3.195 -1.681 1.421 1.00 0.00 C ATOM 1084 OE1 GLU A 77 3.863 -1.313 0.430 1.00 0.00 O ATOM 1085 OE2 GLU A 77 2.492 -0.904 2.099 1.00 0.00 O ATOM 0 H GLU A 77 3.106 -6.281 1.973 1.00 0.00 H new ATOM 0 HA GLU A 77 5.827 -5.376 2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.304 -3.018 2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.017 -3.744 0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.624 -3.724 1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.808 -3.257 2.816 1.00 0.00 H new ATOM 1092 N LEU A 78 4.728 -4.166 4.697 1.00 0.00 N ATOM 1093 CA LEU A 78 4.297 -4.068 6.088 1.00 0.00 C ATOM 1094 C LEU A 78 3.410 -2.839 6.292 1.00 0.00 C ATOM 1095 O LEU A 78 2.413 -2.897 7.013 1.00 0.00 O ATOM 1096 CB LEU A 78 5.511 -3.994 7.018 1.00 0.00 C ATOM 1097 CG LEU A 78 6.011 -5.337 7.557 1.00 0.00 C ATOM 1098 CD1 LEU A 78 7.238 -5.129 8.431 1.00 0.00 C ATOM 1099 CD2 LEU A 78 4.913 -6.050 8.338 1.00 0.00 C ATOM 0 H LEU A 78 5.416 -3.467 4.418 1.00 0.00 H new ATOM 0 HA LEU A 78 3.719 -4.960 6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.328 -3.510 6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.261 -3.353 7.864 1.00 0.00 H new ATOM 0 HG LEU A 78 6.287 -5.966 6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.584 -6.092 8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.029 -4.664 7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.982 -4.482 9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.291 -7.002 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.602 -5.429 9.178 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.060 -6.230 7.684 1.00 0.00 H new ATOM 1111 N ALA A 79 3.784 -1.732 5.647 1.00 0.00 N ATOM 1112 CA ALA A 79 3.037 -0.483 5.748 1.00 0.00 C ATOM 1113 C ALA A 79 3.537 0.536 4.721 1.00 0.00 C ATOM 1114 O ALA A 79 4.569 0.326 4.081 1.00 0.00 O ATOM 1115 CB ALA A 79 3.149 0.084 7.157 1.00 0.00 C ATOM 0 H ALA A 79 4.606 -1.679 5.046 1.00 0.00 H new ATOM 0 HA ALA A 79 1.989 -0.692 5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.587 1.016 7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.743 -0.633 7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.196 0.275 7.390 1.00 0.00 H new ATOM 1121 N LEU A 80 2.799 1.636 4.568 1.00 0.00 N ATOM 1122 CA LEU A 80 3.164 2.686 3.619 1.00 0.00 C ATOM 1123 C LEU A 80 2.912 4.073 4.213 1.00 0.00 C ATOM 1124 O LEU A 80 1.767 4.512 4.328 1.00 0.00 O ATOM 1125 CB LEU A 80 2.371 2.516 2.317 1.00 0.00 C ATOM 1126 CG LEU A 80 3.198 2.613 1.032 1.00 0.00 C ATOM 1127 CD1 LEU A 80 2.333 2.290 -0.178 1.00 0.00 C ATOM 1128 CD2 LEU A 80 3.817 3.998 0.898 1.00 0.00 C ATOM 0 H LEU A 80 1.943 1.822 5.091 1.00 0.00 H new ATOM 0 HA LEU A 80 4.229 2.597 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.874 1.546 2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.589 3.275 2.285 1.00 0.00 H new ATOM 0 HG LEU A 80 4.006 1.883 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.934 2.363 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.939 1.278 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.506 2.998 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.401 4.048 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.027 4.748 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.467 4.190 1.752 1.00 0.00 H new ATOM 1140 N PHE A 81 3.991 4.758 4.589 1.00 0.00 N ATOM 1141 CA PHE A 81 3.895 6.096 5.171 1.00 0.00 C ATOM 1142 C PHE A 81 4.002 7.169 4.088 1.00 0.00 C ATOM 1143 O PHE A 81 5.059 7.338 3.478 1.00 0.00 O ATOM 1144 CB PHE A 81 4.995 6.290 6.221 1.00 0.00 C ATOM 1145 CG PHE A 81 4.876 7.572 7.002 1.00 0.00 C ATOM 1146 CD1 PHE A 81 3.791 7.796 7.836 1.00 0.00 C ATOM 1147 CD2 PHE A 81 5.851 8.551 6.901 1.00 0.00 C ATOM 1148 CE1 PHE A 81 3.684 8.972 8.554 1.00 0.00 C ATOM 1149 CE2 PHE A 81 5.748 9.728 7.617 1.00 0.00 C ATOM 1150 CZ PHE A 81 4.662 9.939 8.444 1.00 0.00 C ATOM 0 H PHE A 81 4.945 4.407 4.501 1.00 0.00 H new ATOM 0 HA PHE A 81 2.922 6.195 5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.973 5.450 6.915 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.965 6.268 5.725 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.021 7.044 7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.702 8.392 6.255 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.835 9.134 9.201 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.516 10.482 7.530 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.579 10.859 9.003 1.00 0.00 H new ATOM 1160 N PRO A 82 2.899 7.908 3.835 1.00 0.00 N ATOM 1161 CA PRO A 82 2.860 8.969 2.815 1.00 0.00 C ATOM 1162 C PRO A 82 3.967 10.015 2.993 1.00 0.00 C ATOM 1163 O PRO A 82 4.639 10.055 4.025 1.00 0.00 O ATOM 1164 CB PRO A 82 1.481 9.606 3.017 1.00 0.00 C ATOM 1165 CG PRO A 82 0.657 8.536 3.645 1.00 0.00 C ATOM 1166 CD PRO A 82 1.598 7.756 4.518 1.00 0.00 C ATOM 0 HA PRO A 82 3.021 8.568 1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.542 10.486 3.657 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.052 9.931 2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.157 8.962 4.231 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.204 7.896 2.888 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.628 8.153 5.533 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.303 6.709 4.593 1.00 0.00 H new ATOM 1174 N PRO A 83 4.170 10.875 1.972 1.00 0.00 N ATOM 1175 CA PRO A 83 5.202 11.926 1.998 1.00 0.00 C ATOM 1176 C PRO A 83 5.008 12.919 3.142 1.00 0.00 C ATOM 1177 O PRO A 83 3.889 13.365 3.403 1.00 0.00 O ATOM 1178 CB PRO A 83 5.033 12.641 0.653 1.00 0.00 C ATOM 1179 CG PRO A 83 4.291 11.680 -0.211 1.00 0.00 C ATOM 1180 CD PRO A 83 3.412 10.885 0.709 1.00 0.00 C ATOM 0 HA PRO A 83 6.193 11.500 2.153 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.480 13.573 0.770 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.000 12.896 0.218 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.697 12.206 -0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.979 11.030 -0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.433 11.348 0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.243 9.876 0.333 1.00 0.00 H new