USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 599 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc=-0.00165 (180deg=-0.215) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.687 USER MOD Single : A 39 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-3.4!) USER MOD Single : A 44 SER OG : rot 180:sc= -0.044 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0355 X(o=-0.036,f=-0.38) USER MOD Single : A 58 ASN : amide:sc= -1.19 K(o=-1.2,f=-1.9) USER MOD Single : A 62 ASN : amide:sc= 0.16 K(o=0.16,f=-1.8!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0473 USER MOD Single : A 85 SER OG : rot 35:sc= 0.0948 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.765 -9.372 3.966 1.00 0.00 N ATOM 2 CA MET A 1 0.298 -9.602 3.811 1.00 0.00 C ATOM 3 C MET A 1 -0.519 -8.572 4.595 1.00 0.00 C ATOM 4 O MET A 1 -1.585 -8.888 5.131 1.00 0.00 O ATOM 5 CB MET A 1 -0.031 -11.024 4.290 1.00 0.00 C ATOM 6 CG MET A 1 0.551 -11.369 5.654 1.00 0.00 C ATOM 7 SD MET A 1 -0.414 -12.619 6.523 1.00 0.00 S ATOM 8 CE MET A 1 -1.370 -11.592 7.637 1.00 0.00 C ATOM 0 H1 MET A 1 2.286 -10.193 3.597 1.00 0.00 H new ATOM 0 H2 MET A 1 2.041 -8.521 3.436 1.00 0.00 H new ATOM 0 H3 MET A 1 1.992 -9.242 4.973 1.00 0.00 H new ATOM 0 HA MET A 1 0.032 -9.490 2.760 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.114 -11.142 4.328 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.342 -11.739 3.556 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.573 -11.726 5.529 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.601 -10.466 6.262 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.019 -12.222 8.245 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.696 -11.033 8.285 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.978 -10.896 7.059 1.00 0.00 H new ATOM 20 N GLU A 2 -0.013 -7.338 4.661 1.00 0.00 N ATOM 21 CA GLU A 2 -0.691 -6.263 5.382 1.00 0.00 C ATOM 22 C GLU A 2 -0.430 -4.910 4.723 1.00 0.00 C ATOM 23 O GLU A 2 0.447 -4.784 3.866 1.00 0.00 O ATOM 24 CB GLU A 2 -0.233 -6.229 6.844 1.00 0.00 C ATOM 25 CG GLU A 2 -0.123 -7.606 7.480 1.00 0.00 C ATOM 26 CD GLU A 2 0.383 -7.554 8.909 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.580 -7.256 9.105 1.00 0.00 O ATOM 28 OE2 GLU A 2 -0.421 -7.807 9.831 1.00 0.00 O ATOM 0 H GLU A 2 0.865 -7.060 4.223 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.762 -6.461 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.736 -5.733 6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.934 -5.626 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.100 -8.088 7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.548 -8.224 6.884 1.00 0.00 H new ATOM 35 N TRP A 3 -1.205 -3.906 5.129 1.00 0.00 N ATOM 36 CA TRP A 3 -1.079 -2.555 4.590 1.00 0.00 C ATOM 37 C TRP A 3 -1.385 -1.530 5.678 1.00 0.00 C ATOM 38 O TRP A 3 -2.320 -1.710 6.457 1.00 0.00 O ATOM 39 CB TRP A 3 -2.044 -2.357 3.412 1.00 0.00 C ATOM 40 CG TRP A 3 -1.687 -3.154 2.191 1.00 0.00 C ATOM 41 CD1 TRP A 3 -1.820 -4.503 2.023 1.00 0.00 C ATOM 42 CD2 TRP A 3 -1.147 -2.650 0.963 1.00 0.00 C ATOM 43 NE1 TRP A 3 -1.388 -4.869 0.770 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.971 -3.748 0.101 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.795 -1.375 0.509 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -0.458 -3.611 -1.186 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -0.286 -1.241 -0.769 1.00 0.00 C ATOM 48 CH2 TRP A 3 -0.121 -2.353 -1.604 1.00 0.00 C ATOM 0 H TRP A 3 -1.933 -4.006 5.836 1.00 0.00 H new ATOM 0 HA TRP A 3 -0.057 -2.416 4.238 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.050 -2.630 3.730 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -2.068 -1.299 3.149 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.208 -5.183 2.766 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -1.379 -5.819 0.399 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.919 -0.511 1.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -0.331 -4.468 -1.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -0.011 -0.261 -1.130 1.00 0.00 H new ATOM 0 HH2 TRP A 3 0.280 -2.215 -2.597 1.00 0.00 H new ATOM 59 N LYS A 4 -0.601 -0.457 5.730 1.00 0.00 N ATOM 60 CA LYS A 4 -0.805 0.594 6.724 1.00 0.00 C ATOM 61 C LYS A 4 -0.625 1.971 6.089 1.00 0.00 C ATOM 62 O LYS A 4 0.310 2.183 5.320 1.00 0.00 O ATOM 63 CB LYS A 4 0.169 0.429 7.892 1.00 0.00 C ATOM 64 CG LYS A 4 -0.110 -0.791 8.757 1.00 0.00 C ATOM 65 CD LYS A 4 1.141 -1.249 9.494 1.00 0.00 C ATOM 66 CE LYS A 4 0.838 -2.368 10.479 1.00 0.00 C ATOM 67 NZ LYS A 4 0.552 -1.850 11.849 1.00 0.00 N ATOM 0 H LYS A 4 0.181 -0.292 5.096 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.823 0.509 7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.184 0.360 7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.128 1.322 8.516 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.893 -0.556 9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.484 -1.603 8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.883 -1.591 8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.579 -0.405 10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.018 -2.941 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.685 -3.053 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.351 -2.647 12.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.378 -1.325 12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.273 -1.217 11.816 1.00 0.00 H new ATOM 81 N LEU A 5 -1.519 2.903 6.408 1.00 0.00 N ATOM 82 CA LEU A 5 -1.440 4.254 5.852 1.00 0.00 C ATOM 83 C LEU A 5 -1.560 5.312 6.949 1.00 0.00 C ATOM 84 O LEU A 5 -2.162 5.070 7.995 1.00 0.00 O ATOM 85 CB LEU A 5 -2.536 4.455 4.800 1.00 0.00 C ATOM 86 CG LEU A 5 -2.145 5.317 3.599 1.00 0.00 C ATOM 87 CD1 LEU A 5 -1.198 4.561 2.683 1.00 0.00 C ATOM 88 CD2 LEU A 5 -3.387 5.755 2.836 1.00 0.00 C ATOM 0 H LEU A 5 -2.302 2.751 7.044 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.465 4.369 5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.850 3.477 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.401 4.908 5.284 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.630 6.205 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.932 5.191 1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.296 4.293 3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.686 3.655 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.093 6.368 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.926 4.876 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.033 6.335 3.495 1.00 0.00 H new ATOM 100 N PHE A 6 -0.985 6.489 6.698 1.00 0.00 N ATOM 101 CA PHE A 6 -1.031 7.587 7.662 1.00 0.00 C ATOM 102 C PHE A 6 -2.248 8.481 7.414 1.00 0.00 C ATOM 103 O PHE A 6 -2.963 8.315 6.423 1.00 0.00 O ATOM 104 CB PHE A 6 0.257 8.418 7.590 1.00 0.00 C ATOM 105 CG PHE A 6 1.103 8.331 8.832 1.00 0.00 C ATOM 106 CD1 PHE A 6 0.829 9.130 9.931 1.00 0.00 C ATOM 107 CD2 PHE A 6 2.169 7.449 8.899 1.00 0.00 C ATOM 108 CE1 PHE A 6 1.606 9.050 11.074 1.00 0.00 C ATOM 109 CE2 PHE A 6 2.949 7.366 10.037 1.00 0.00 C ATOM 110 CZ PHE A 6 2.667 8.166 11.125 1.00 0.00 C ATOM 0 H PHE A 6 -0.483 6.705 5.837 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.118 7.157 8.660 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.846 8.085 6.736 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.004 9.461 7.411 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.001 9.822 9.895 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.393 6.818 8.051 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.383 9.677 11.924 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.779 6.675 10.074 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.275 8.102 12.015 1.00 0.00 H new ATOM 120 N ALA A 7 -2.473 9.438 8.318 1.00 0.00 N ATOM 121 CA ALA A 7 -3.599 10.365 8.198 1.00 0.00 C ATOM 122 C ALA A 7 -3.462 11.276 6.974 1.00 0.00 C ATOM 123 O ALA A 7 -4.432 11.909 6.558 1.00 0.00 O ATOM 124 CB ALA A 7 -3.739 11.203 9.461 1.00 0.00 C ATOM 0 H ALA A 7 -1.890 9.590 9.141 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.499 9.764 8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.581 11.886 9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.910 10.548 10.315 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.826 11.776 9.621 1.00 0.00 H new ATOM 130 N ASP A 8 -2.261 11.336 6.391 1.00 0.00 N ATOM 131 CA ASP A 8 -2.022 12.164 5.210 1.00 0.00 C ATOM 132 C ASP A 8 -2.951 11.750 4.068 1.00 0.00 C ATOM 133 O ASP A 8 -3.406 12.586 3.288 1.00 0.00 O ATOM 134 CB ASP A 8 -0.558 12.052 4.762 1.00 0.00 C ATOM 135 CG ASP A 8 0.007 13.367 4.254 1.00 0.00 C ATOM 136 OD1 ASP A 8 -0.723 14.104 3.558 1.00 0.00 O ATOM 137 OD2 ASP A 8 1.185 13.658 4.552 1.00 0.00 O ATOM 0 H ASP A 8 -1.443 10.822 6.718 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.230 13.201 5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.047 11.701 5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.480 11.301 3.976 1.00 0.00 H new ATOM 142 N LEU A 9 -3.222 10.447 3.981 1.00 0.00 N ATOM 143 CA LEU A 9 -4.092 9.899 2.943 1.00 0.00 C ATOM 144 C LEU A 9 -5.403 9.358 3.527 1.00 0.00 C ATOM 145 O LEU A 9 -6.470 9.547 2.942 1.00 0.00 O ATOM 146 CB LEU A 9 -3.358 8.795 2.189 1.00 0.00 C ATOM 147 CG LEU A 9 -2.374 9.286 1.123 1.00 0.00 C ATOM 148 CD1 LEU A 9 -0.970 8.769 1.408 1.00 0.00 C ATOM 149 CD2 LEU A 9 -2.835 8.857 -0.262 1.00 0.00 C ATOM 0 H LEU A 9 -2.848 9.748 4.623 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.347 10.706 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.815 8.182 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.095 8.149 1.712 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.347 10.375 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.287 9.129 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.641 9.128 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.976 7.679 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.125 9.214 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.892 7.769 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.819 9.280 -0.465 1.00 0.00 H new ATOM 161 N ALA A 10 -5.325 8.686 4.680 1.00 0.00 N ATOM 162 CA ALA A 10 -6.523 8.128 5.319 1.00 0.00 C ATOM 163 C ALA A 10 -7.498 9.220 5.768 1.00 0.00 C ATOM 164 O ALA A 10 -8.652 8.931 6.083 1.00 0.00 O ATOM 165 CB ALA A 10 -6.138 7.245 6.495 1.00 0.00 C ATOM 0 H ALA A 10 -4.456 8.516 5.186 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.035 7.522 4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.039 6.840 6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.510 6.426 6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.589 7.835 7.228 1.00 0.00 H new ATOM 171 N GLU A 11 -7.039 10.473 5.797 1.00 0.00 N ATOM 172 CA GLU A 11 -7.893 11.589 6.202 1.00 0.00 C ATOM 173 C GLU A 11 -8.893 11.952 5.098 1.00 0.00 C ATOM 174 O GLU A 11 -9.970 12.478 5.383 1.00 0.00 O ATOM 175 CB GLU A 11 -7.039 12.810 6.553 1.00 0.00 C ATOM 176 CG GLU A 11 -7.845 14.024 6.989 1.00 0.00 C ATOM 177 CD GLU A 11 -6.977 15.095 7.620 1.00 0.00 C ATOM 178 OE1 GLU A 11 -6.712 15.003 8.837 1.00 0.00 O ATOM 179 OE2 GLU A 11 -6.557 16.021 6.895 1.00 0.00 O ATOM 0 H GLU A 11 -6.087 10.738 5.546 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.455 11.278 7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.348 12.540 7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.435 13.080 5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.364 14.442 6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.610 13.713 7.701 1.00 0.00 H new ATOM 186 N VAL A 12 -8.534 11.675 3.841 1.00 0.00 N ATOM 187 CA VAL A 12 -9.410 11.990 2.713 1.00 0.00 C ATOM 188 C VAL A 12 -10.339 10.823 2.374 1.00 0.00 C ATOM 189 O VAL A 12 -11.522 11.026 2.097 1.00 0.00 O ATOM 190 CB VAL A 12 -8.605 12.375 1.454 1.00 0.00 C ATOM 191 CG1 VAL A 12 -9.513 13.011 0.409 1.00 0.00 C ATOM 192 CG2 VAL A 12 -7.458 13.315 1.809 1.00 0.00 C ATOM 0 H VAL A 12 -7.650 11.237 3.582 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.011 12.844 3.025 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.180 11.464 1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.926 13.275 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.293 12.304 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.971 13.910 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.905 13.572 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.858 14.223 2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.790 12.823 2.515 1.00 0.00 H new ATOM 202 N ALA A 13 -9.802 9.603 2.388 1.00 0.00 N ATOM 203 CA ALA A 13 -10.595 8.413 2.071 1.00 0.00 C ATOM 204 C ALA A 13 -11.201 7.787 3.324 1.00 0.00 C ATOM 205 O ALA A 13 -12.363 7.376 3.320 1.00 0.00 O ATOM 206 CB ALA A 13 -9.748 7.389 1.331 1.00 0.00 C ATOM 0 H ALA A 13 -8.826 9.412 2.614 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.415 8.730 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.354 6.512 1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.378 7.825 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.904 7.095 1.955 1.00 0.00 H new ATOM 212 N GLY A 14 -10.405 7.702 4.390 1.00 0.00 N ATOM 213 CA GLY A 14 -10.879 7.108 5.631 1.00 0.00 C ATOM 214 C GLY A 14 -10.193 5.788 5.948 1.00 0.00 C ATOM 215 O GLY A 14 -10.087 5.405 7.115 1.00 0.00 O ATOM 0 H GLY A 14 -9.441 8.034 4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.711 7.806 6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.955 6.947 5.565 1.00 0.00 H new ATOM 219 N SER A 15 -9.728 5.091 4.907 1.00 0.00 N ATOM 220 CA SER A 15 -9.053 3.808 5.078 1.00 0.00 C ATOM 221 C SER A 15 -7.541 3.957 4.945 1.00 0.00 C ATOM 222 O SER A 15 -7.047 4.494 3.953 1.00 0.00 O ATOM 223 CB SER A 15 -9.563 2.797 4.047 1.00 0.00 C ATOM 224 OG SER A 15 -9.624 1.492 4.596 1.00 0.00 O ATOM 0 H SER A 15 -9.808 5.397 3.937 1.00 0.00 H new ATOM 0 HA SER A 15 -9.277 3.446 6.081 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.552 3.095 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.906 2.798 3.177 1.00 0.00 H new ATOM 0 HG SER A 15 -9.954 0.867 3.917 1.00 0.00 H new ATOM 230 N ARG A 16 -6.814 3.469 5.949 1.00 0.00 N ATOM 231 CA ARG A 16 -5.360 3.530 5.947 1.00 0.00 C ATOM 232 C ARG A 16 -4.765 2.124 5.975 1.00 0.00 C ATOM 233 O ARG A 16 -4.008 1.743 5.081 1.00 0.00 O ATOM 234 CB ARG A 16 -4.844 4.342 7.145 1.00 0.00 C ATOM 235 CG ARG A 16 -5.824 4.454 8.304 1.00 0.00 C ATOM 236 CD ARG A 16 -5.125 4.904 9.578 1.00 0.00 C ATOM 237 NE ARG A 16 -6.076 5.178 10.654 1.00 0.00 N ATOM 238 CZ ARG A 16 -6.791 6.302 10.752 1.00 0.00 C ATOM 239 NH1 ARG A 16 -6.639 7.278 9.860 1.00 0.00 N ATOM 240 NH2 ARG A 16 -7.655 6.452 11.748 1.00 0.00 N ATOM 0 H ARG A 16 -7.214 3.026 6.776 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.046 4.028 5.030 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.923 3.885 7.508 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.589 5.345 6.804 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.612 5.163 8.049 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.304 3.490 8.471 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.425 4.133 9.900 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.540 5.801 9.374 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.201 4.467 11.374 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.973 7.171 9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.189 8.133 9.941 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.772 5.710 12.437 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.202 7.310 11.824 1.00 0.00 H new ATOM 254 N THR A 17 -5.111 1.356 7.009 1.00 0.00 N ATOM 255 CA THR A 17 -4.609 -0.005 7.154 1.00 0.00 C ATOM 256 C THR A 17 -5.576 -1.018 6.543 1.00 0.00 C ATOM 257 O THR A 17 -6.791 -0.925 6.733 1.00 0.00 O ATOM 258 CB THR A 17 -4.357 -0.336 8.633 1.00 0.00 C ATOM 259 OG1 THR A 17 -5.569 -0.630 9.310 1.00 0.00 O ATOM 260 CG2 THR A 17 -3.669 0.778 9.394 1.00 0.00 C ATOM 0 H THR A 17 -5.737 1.656 7.757 1.00 0.00 H new ATOM 0 HA THR A 17 -3.664 -0.069 6.615 1.00 0.00 H new ATOM 0 HB THR A 17 -3.699 -1.205 8.613 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.377 -0.838 10.248 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.523 0.475 10.431 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.701 0.987 8.938 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.286 1.676 9.362 1.00 0.00 H new ATOM 268 N VAL A 18 -5.026 -1.985 5.809 1.00 0.00 N ATOM 269 CA VAL A 18 -5.830 -3.022 5.166 1.00 0.00 C ATOM 270 C VAL A 18 -5.117 -4.372 5.216 1.00 0.00 C ATOM 271 O VAL A 18 -3.982 -4.501 4.755 1.00 0.00 O ATOM 272 CB VAL A 18 -6.135 -2.677 3.692 1.00 0.00 C ATOM 273 CG1 VAL A 18 -7.274 -3.538 3.165 1.00 0.00 C ATOM 274 CG2 VAL A 18 -6.461 -1.196 3.535 1.00 0.00 C ATOM 0 H VAL A 18 -4.023 -2.071 5.645 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.768 -3.078 5.718 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.243 -2.890 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.474 -3.280 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.996 -4.590 3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.169 -3.362 3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.672 -0.979 2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.334 -0.949 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.611 -0.599 3.865 1.00 0.00 H new ATOM 284 N ARG A 19 -5.791 -5.378 5.772 1.00 0.00 N ATOM 285 CA ARG A 19 -5.216 -6.717 5.872 1.00 0.00 C ATOM 286 C ARG A 19 -6.031 -7.720 5.062 1.00 0.00 C ATOM 287 O ARG A 19 -7.261 -7.750 5.145 1.00 0.00 O ATOM 288 CB ARG A 19 -5.129 -7.167 7.333 1.00 0.00 C ATOM 289 CG ARG A 19 -6.425 -6.995 8.116 1.00 0.00 C ATOM 290 CD ARG A 19 -6.463 -5.665 8.855 1.00 0.00 C ATOM 291 NE ARG A 19 -7.738 -5.452 9.540 1.00 0.00 N ATOM 292 CZ ARG A 19 -8.063 -6.011 10.710 1.00 0.00 C ATOM 293 NH1 ARG A 19 -7.212 -6.825 11.330 1.00 0.00 N ATOM 294 NH2 ARG A 19 -9.243 -5.751 11.263 1.00 0.00 N ATOM 0 H ARG A 19 -6.731 -5.291 6.158 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.207 -6.677 5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.836 -8.217 7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.340 -6.602 7.829 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.273 -7.057 7.434 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.530 -7.812 8.830 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.651 -5.631 9.582 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.292 -4.853 8.148 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.422 -4.838 9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.303 -7.027 10.913 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.468 -7.247 12.222 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.899 -5.126 10.795 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.493 -6.177 12.156 1.00 0.00 H new ATOM 308 N VAL A 20 -5.334 -8.536 4.273 1.00 0.00 N ATOM 309 CA VAL A 20 -5.981 -9.542 3.434 1.00 0.00 C ATOM 310 C VAL A 20 -5.091 -10.771 3.253 1.00 0.00 C ATOM 311 O VAL A 20 -3.971 -10.666 2.747 1.00 0.00 O ATOM 312 CB VAL A 20 -6.337 -8.980 2.039 1.00 0.00 C ATOM 313 CG1 VAL A 20 -7.204 -9.966 1.269 1.00 0.00 C ATOM 314 CG2 VAL A 20 -7.031 -7.629 2.154 1.00 0.00 C ATOM 0 H VAL A 20 -4.317 -8.519 4.198 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.898 -9.828 3.949 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.408 -8.835 1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.444 -9.552 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.664 -10.905 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.126 -10.149 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.270 -7.257 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.950 -7.740 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.371 -6.922 2.656 1.00 0.00 H new ATOM 324 N ASP A 21 -5.601 -11.933 3.659 1.00 0.00 N ATOM 325 CA ASP A 21 -4.863 -13.187 3.535 1.00 0.00 C ATOM 326 C ASP A 21 -5.326 -13.980 2.307 1.00 0.00 C ATOM 327 O ASP A 21 -5.326 -15.214 2.316 1.00 0.00 O ATOM 328 CB ASP A 21 -5.036 -14.031 4.806 1.00 0.00 C ATOM 329 CG ASP A 21 -6.454 -14.010 5.351 1.00 0.00 C ATOM 330 OD1 ASP A 21 -7.369 -14.491 4.649 1.00 0.00 O ATOM 331 OD2 ASP A 21 -6.648 -13.509 6.479 1.00 0.00 O ATOM 0 H ASP A 21 -6.526 -12.031 4.078 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.807 -12.948 3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.751 -15.061 4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.354 -13.665 5.573 1.00 0.00 H new ATOM 336 N VAL A 22 -5.723 -13.264 1.252 1.00 0.00 N ATOM 337 CA VAL A 22 -6.188 -13.900 0.022 1.00 0.00 C ATOM 338 C VAL A 22 -5.826 -13.059 -1.204 1.00 0.00 C ATOM 339 O VAL A 22 -5.741 -11.832 -1.122 1.00 0.00 O ATOM 340 CB VAL A 22 -7.716 -14.126 0.055 1.00 0.00 C ATOM 341 CG1 VAL A 22 -8.456 -12.800 0.171 1.00 0.00 C ATOM 342 CG2 VAL A 22 -8.178 -14.899 -1.174 1.00 0.00 C ATOM 0 H VAL A 22 -5.731 -12.244 1.227 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.688 -14.866 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.950 -14.723 0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.530 -12.983 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.156 -12.295 1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.212 -12.171 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.257 -15.045 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.927 -14.337 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.681 -15.869 -1.202 1.00 0.00 H new ATOM 352 N ASP A 23 -5.628 -13.728 -2.341 1.00 0.00 N ATOM 353 CA ASP A 23 -5.287 -13.040 -3.584 1.00 0.00 C ATOM 354 C ASP A 23 -6.389 -13.215 -4.629 1.00 0.00 C ATOM 355 O ASP A 23 -6.781 -14.337 -4.954 1.00 0.00 O ATOM 356 CB ASP A 23 -3.952 -13.546 -4.142 1.00 0.00 C ATOM 357 CG ASP A 23 -3.898 -15.056 -4.291 1.00 0.00 C ATOM 358 OD1 ASP A 23 -3.749 -15.750 -3.263 1.00 0.00 O ATOM 359 OD2 ASP A 23 -4.001 -15.542 -5.436 1.00 0.00 O ATOM 0 H ASP A 23 -5.698 -14.742 -2.425 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.190 -11.979 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.774 -13.085 -5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.145 -13.224 -3.484 1.00 0.00 H new ATOM 364 N GLY A 24 -6.886 -12.091 -5.147 1.00 0.00 N ATOM 365 CA GLY A 24 -7.939 -12.125 -6.149 1.00 0.00 C ATOM 366 C GLY A 24 -7.883 -10.934 -7.087 1.00 0.00 C ATOM 367 O GLY A 24 -8.523 -9.911 -6.836 1.00 0.00 O ATOM 0 H GLY A 24 -6.576 -11.154 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.856 -13.045 -6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.909 -12.148 -5.652 1.00 0.00 H new ATOM 371 N ASP A 25 -7.110 -11.070 -8.168 1.00 0.00 N ATOM 372 CA ASP A 25 -6.954 -10.002 -9.159 1.00 0.00 C ATOM 373 C ASP A 25 -6.408 -8.717 -8.523 1.00 0.00 C ATOM 374 O ASP A 25 -6.638 -7.617 -9.030 1.00 0.00 O ATOM 375 CB ASP A 25 -8.290 -9.722 -9.857 1.00 0.00 C ATOM 376 CG ASP A 25 -8.435 -10.492 -11.157 1.00 0.00 C ATOM 377 OD1 ASP A 25 -7.776 -10.113 -12.149 1.00 0.00 O ATOM 378 OD2 ASP A 25 -9.205 -11.474 -11.183 1.00 0.00 O ATOM 0 H ASP A 25 -6.579 -11.915 -8.380 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.230 -10.341 -9.899 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.109 -9.986 -9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.375 -8.654 -10.059 1.00 0.00 H new ATOM 383 N ALA A 26 -5.678 -8.864 -7.415 1.00 0.00 N ATOM 384 CA ALA A 26 -5.097 -7.720 -6.719 1.00 0.00 C ATOM 385 C ALA A 26 -3.580 -7.856 -6.626 1.00 0.00 C ATOM 386 O ALA A 26 -3.073 -8.776 -5.983 1.00 0.00 O ATOM 387 CB ALA A 26 -5.709 -7.583 -5.330 1.00 0.00 C ATOM 0 H ALA A 26 -5.477 -9.766 -6.983 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.321 -6.819 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.268 -6.726 -4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.785 -7.437 -5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.512 -8.488 -4.755 1.00 0.00 H new ATOM 393 N THR A 27 -2.863 -6.935 -7.269 1.00 0.00 N ATOM 394 CA THR A 27 -1.401 -6.949 -7.258 1.00 0.00 C ATOM 395 C THR A 27 -0.866 -6.115 -6.098 1.00 0.00 C ATOM 396 O THR A 27 -1.616 -5.378 -5.454 1.00 0.00 O ATOM 397 CB THR A 27 -0.842 -6.426 -8.588 1.00 0.00 C ATOM 398 OG1 THR A 27 -1.882 -5.990 -9.451 1.00 0.00 O ATOM 399 CG2 THR A 27 -0.028 -7.458 -9.338 1.00 0.00 C ATOM 0 H THR A 27 -3.272 -6.169 -7.805 1.00 0.00 H new ATOM 0 HA THR A 27 -1.073 -7.980 -7.127 1.00 0.00 H new ATOM 0 HB THR A 27 -0.193 -5.595 -8.313 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.495 -5.661 -10.289 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.338 -7.026 -10.269 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.818 -7.770 -8.725 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.653 -8.323 -9.561 1.00 0.00 H new ATOM 407 N VAL A 28 0.436 -6.226 -5.837 1.00 0.00 N ATOM 408 CA VAL A 28 1.062 -5.473 -4.759 1.00 0.00 C ATOM 409 C VAL A 28 1.315 -4.030 -5.187 1.00 0.00 C ATOM 410 O VAL A 28 1.231 -3.109 -4.375 1.00 0.00 O ATOM 411 CB VAL A 28 2.392 -6.113 -4.307 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.925 -5.414 -3.067 1.00 0.00 C ATOM 413 CG2 VAL A 28 2.212 -7.603 -4.048 1.00 0.00 C ATOM 0 H VAL A 28 1.073 -6.829 -6.357 1.00 0.00 H new ATOM 0 HA VAL A 28 0.370 -5.489 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 28 3.120 -5.993 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.863 -5.878 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.097 -4.361 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.198 -5.501 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.161 -8.034 -3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.467 -7.749 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.878 -8.094 -4.962 1.00 0.00 H new ATOM 423 N GLY A 29 1.613 -3.842 -6.472 1.00 0.00 N ATOM 424 CA GLY A 29 1.856 -2.513 -6.986 1.00 0.00 C ATOM 425 C GLY A 29 0.575 -1.808 -7.401 1.00 0.00 C ATOM 426 O GLY A 29 0.500 -0.580 -7.369 1.00 0.00 O ATOM 0 H GLY A 29 1.689 -4.589 -7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.364 -1.920 -6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.527 -2.575 -7.843 1.00 0.00 H new ATOM 430 N ASP A 30 -0.436 -2.594 -7.784 1.00 0.00 N ATOM 431 CA ASP A 30 -1.728 -2.049 -8.203 1.00 0.00 C ATOM 432 C ASP A 30 -2.340 -1.182 -7.101 1.00 0.00 C ATOM 433 O ASP A 30 -2.866 -0.101 -7.371 1.00 0.00 O ATOM 434 CB ASP A 30 -2.684 -3.188 -8.572 1.00 0.00 C ATOM 435 CG ASP A 30 -4.076 -2.698 -8.926 1.00 0.00 C ATOM 436 OD1 ASP A 30 -4.246 -2.135 -10.028 1.00 0.00 O ATOM 437 OD2 ASP A 30 -4.996 -2.876 -8.100 1.00 0.00 O ATOM 0 H ASP A 30 -0.383 -3.612 -7.812 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.566 -1.421 -9.079 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.273 -3.741 -9.416 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.751 -3.885 -7.736 1.00 0.00 H new ATOM 442 N ALA A 31 -2.253 -1.660 -5.859 1.00 0.00 N ATOM 443 CA ALA A 31 -2.780 -0.928 -4.715 1.00 0.00 C ATOM 444 C ALA A 31 -1.779 0.114 -4.233 1.00 0.00 C ATOM 445 O ALA A 31 -2.164 1.219 -3.858 1.00 0.00 O ATOM 446 CB ALA A 31 -3.141 -1.888 -3.588 1.00 0.00 C ATOM 0 H ALA A 31 -1.821 -2.553 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.686 -0.409 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.533 -1.324 -2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.897 -2.591 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.251 -2.436 -3.278 1.00 0.00 H new ATOM 452 N LEU A 32 -0.489 -0.236 -4.264 1.00 0.00 N ATOM 453 CA LEU A 32 0.561 0.688 -3.842 1.00 0.00 C ATOM 454 C LEU A 32 0.428 2.010 -4.588 1.00 0.00 C ATOM 455 O LEU A 32 0.325 3.070 -3.973 1.00 0.00 O ATOM 456 CB LEU A 32 1.948 0.087 -4.092 1.00 0.00 C ATOM 457 CG LEU A 32 3.108 0.843 -3.434 1.00 0.00 C ATOM 458 CD1 LEU A 32 4.052 -0.132 -2.747 1.00 0.00 C ATOM 459 CD2 LEU A 32 3.857 1.683 -4.462 1.00 0.00 C ATOM 0 H LEU A 32 -0.151 -1.147 -4.575 1.00 0.00 H new ATOM 0 HA LEU A 32 0.448 0.866 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.953 -0.941 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.122 0.048 -5.167 1.00 0.00 H new ATOM 0 HG LEU A 32 2.698 1.516 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.871 0.419 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.509 -0.686 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.454 -0.829 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.676 2.211 -3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.257 1.034 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.174 2.406 -4.908 1.00 0.00 H new ATOM 471 N ASP A 33 0.414 1.933 -5.923 1.00 0.00 N ATOM 472 CA ASP A 33 0.274 3.121 -6.761 1.00 0.00 C ATOM 473 C ASP A 33 -1.032 3.835 -6.445 1.00 0.00 C ATOM 474 O ASP A 33 -1.073 5.060 -6.372 1.00 0.00 O ATOM 475 CB ASP A 33 0.320 2.752 -8.247 1.00 0.00 C ATOM 476 CG ASP A 33 0.142 3.958 -9.157 1.00 0.00 C ATOM 477 OD1 ASP A 33 0.624 5.052 -8.799 1.00 0.00 O ATOM 478 OD2 ASP A 33 -0.482 3.804 -10.226 1.00 0.00 O ATOM 0 H ASP A 33 0.498 1.059 -6.443 1.00 0.00 H new ATOM 0 HA ASP A 33 1.109 3.788 -6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.273 2.272 -8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.461 2.022 -8.460 1.00 0.00 H new ATOM 483 N ALA A 34 -2.096 3.056 -6.250 1.00 0.00 N ATOM 484 CA ALA A 34 -3.404 3.615 -5.928 1.00 0.00 C ATOM 485 C ALA A 34 -3.338 4.425 -4.636 1.00 0.00 C ATOM 486 O ALA A 34 -3.670 5.608 -4.618 1.00 0.00 O ATOM 487 CB ALA A 34 -4.448 2.510 -5.816 1.00 0.00 C ATOM 0 H ALA A 34 -2.076 2.038 -6.310 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.699 4.283 -6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.417 2.948 -5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.516 1.977 -6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.158 1.814 -5.028 1.00 0.00 H new ATOM 493 N LEU A 35 -2.891 3.782 -3.559 1.00 0.00 N ATOM 494 CA LEU A 35 -2.769 4.449 -2.266 1.00 0.00 C ATOM 495 C LEU A 35 -1.765 5.604 -2.332 1.00 0.00 C ATOM 496 O LEU A 35 -1.794 6.504 -1.493 1.00 0.00 O ATOM 497 CB LEU A 35 -2.351 3.452 -1.178 1.00 0.00 C ATOM 498 CG LEU A 35 -3.161 2.149 -1.117 1.00 0.00 C ATOM 499 CD1 LEU A 35 -2.888 1.422 0.188 1.00 0.00 C ATOM 500 CD2 LEU A 35 -4.653 2.417 -1.281 1.00 0.00 C ATOM 0 H LEU A 35 -2.608 2.802 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.747 4.858 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.302 3.198 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.424 3.948 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.846 1.514 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.468 0.500 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.826 1.185 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.173 2.058 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.199 1.475 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.994 3.075 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.833 2.893 -2.245 1.00 0.00 H new ATOM 512 N VAL A 36 -0.876 5.576 -3.332 1.00 0.00 N ATOM 513 CA VAL A 36 0.123 6.633 -3.490 1.00 0.00 C ATOM 514 C VAL A 36 -0.409 7.788 -4.347 1.00 0.00 C ATOM 515 O VAL A 36 -0.274 8.953 -3.973 1.00 0.00 O ATOM 516 CB VAL A 36 1.432 6.094 -4.112 1.00 0.00 C ATOM 517 CG1 VAL A 36 2.377 7.238 -4.463 1.00 0.00 C ATOM 518 CG2 VAL A 36 2.108 5.113 -3.162 1.00 0.00 C ATOM 0 H VAL A 36 -0.830 4.840 -4.036 1.00 0.00 H new ATOM 0 HA VAL A 36 0.338 7.006 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 36 1.181 5.567 -5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.291 6.834 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.895 7.901 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.622 7.797 -3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.028 4.743 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.342 5.617 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.438 4.276 -2.966 1.00 0.00 H new ATOM 528 N GLY A 37 -0.997 7.463 -5.502 1.00 0.00 N ATOM 529 CA GLY A 37 -1.516 8.503 -6.388 1.00 0.00 C ATOM 530 C GLY A 37 -2.680 8.063 -7.274 1.00 0.00 C ATOM 531 O GLY A 37 -3.533 8.882 -7.622 1.00 0.00 O ATOM 0 H GLY A 37 -1.123 6.508 -5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.838 9.350 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.705 8.857 -7.025 1.00 0.00 H new ATOM 535 N ALA A 38 -2.717 6.781 -7.651 1.00 0.00 N ATOM 536 CA ALA A 38 -3.781 6.252 -8.515 1.00 0.00 C ATOM 537 C ALA A 38 -5.147 6.190 -7.815 1.00 0.00 C ATOM 538 O ALA A 38 -6.141 5.798 -8.428 1.00 0.00 O ATOM 539 CB ALA A 38 -3.396 4.873 -9.040 1.00 0.00 C ATOM 0 H ALA A 38 -2.022 6.088 -7.372 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.885 6.948 -9.348 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.192 4.492 -9.679 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.473 4.947 -9.615 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.247 4.193 -8.201 1.00 0.00 H new ATOM 545 N HIS A 39 -5.200 6.582 -6.541 1.00 0.00 N ATOM 546 CA HIS A 39 -6.443 6.572 -5.783 1.00 0.00 C ATOM 547 C HIS A 39 -6.607 7.897 -5.038 1.00 0.00 C ATOM 548 O HIS A 39 -6.451 7.962 -3.817 1.00 0.00 O ATOM 549 CB HIS A 39 -6.456 5.394 -4.803 1.00 0.00 C ATOM 550 CG HIS A 39 -7.820 4.831 -4.545 1.00 0.00 C ATOM 551 ND1 HIS A 39 -8.711 5.392 -3.655 1.00 0.00 N ATOM 552 CD2 HIS A 39 -8.438 3.740 -5.058 1.00 0.00 C ATOM 553 CE1 HIS A 39 -9.817 4.669 -3.628 1.00 0.00 C ATOM 554 NE2 HIS A 39 -9.677 3.663 -4.470 1.00 0.00 N ATOM 0 H HIS A 39 -4.391 6.911 -6.015 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.280 6.453 -6.471 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.816 4.603 -5.193 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.023 5.717 -3.857 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.033 3.059 -5.791 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.687 4.868 -3.020 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.376 2.944 -4.655 1.00 0.00 H new ATOM 563 N PRO A 40 -6.919 8.981 -5.780 1.00 0.00 N ATOM 564 CA PRO A 40 -7.100 10.329 -5.209 1.00 0.00 C ATOM 565 C PRO A 40 -8.071 10.378 -4.024 1.00 0.00 C ATOM 566 O PRO A 40 -8.093 11.362 -3.286 1.00 0.00 O ATOM 567 CB PRO A 40 -7.655 11.131 -6.387 1.00 0.00 C ATOM 568 CG PRO A 40 -7.108 10.448 -7.586 1.00 0.00 C ATOM 569 CD PRO A 40 -7.107 8.984 -7.244 1.00 0.00 C ATOM 0 HA PRO A 40 -6.166 10.711 -4.798 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.745 11.129 -6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.338 12.173 -6.343 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.721 10.646 -8.465 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.102 10.799 -7.814 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.042 8.503 -7.531 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.304 8.452 -7.754 1.00 0.00 H new ATOM 577 N ALA A 41 -8.867 9.320 -3.836 1.00 0.00 N ATOM 578 CA ALA A 41 -9.819 9.271 -2.727 1.00 0.00 C ATOM 579 C ALA A 41 -9.134 9.559 -1.386 1.00 0.00 C ATOM 580 O ALA A 41 -9.764 10.078 -0.466 1.00 0.00 O ATOM 581 CB ALA A 41 -10.521 7.919 -2.678 1.00 0.00 C ATOM 0 H ALA A 41 -8.870 8.493 -4.434 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.563 10.048 -2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.225 7.904 -1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.059 7.755 -3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.782 7.130 -2.542 1.00 0.00 H new ATOM 587 N LEU A 42 -7.841 9.224 -1.281 1.00 0.00 N ATOM 588 CA LEU A 42 -7.087 9.455 -0.054 1.00 0.00 C ATOM 589 C LEU A 42 -6.221 10.724 -0.151 1.00 0.00 C ATOM 590 O LEU A 42 -5.710 11.203 0.858 1.00 0.00 O ATOM 591 CB LEU A 42 -6.193 8.247 0.266 1.00 0.00 C ATOM 592 CG LEU A 42 -6.799 6.865 -0.023 1.00 0.00 C ATOM 593 CD1 LEU A 42 -6.160 6.242 -1.257 1.00 0.00 C ATOM 594 CD2 LEU A 42 -6.633 5.945 1.181 1.00 0.00 C ATOM 0 H LEU A 42 -7.302 8.794 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.811 9.594 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.269 8.343 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.923 8.290 1.321 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.864 6.996 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.604 5.264 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.329 6.887 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.088 6.128 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.068 4.971 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.573 5.826 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.139 6.379 2.043 1.00 0.00 H new ATOM 606 N GLU A 43 -6.053 11.266 -1.362 1.00 0.00 N ATOM 607 CA GLU A 43 -5.239 12.469 -1.553 1.00 0.00 C ATOM 608 C GLU A 43 -5.878 13.421 -2.565 1.00 0.00 C ATOM 609 O GLU A 43 -5.997 13.094 -3.748 1.00 0.00 O ATOM 610 CB GLU A 43 -3.827 12.083 -2.008 1.00 0.00 C ATOM 611 CG GLU A 43 -2.769 13.124 -1.673 1.00 0.00 C ATOM 612 CD GLU A 43 -2.425 13.154 -0.195 1.00 0.00 C ATOM 613 OE1 GLU A 43 -3.091 13.900 0.555 1.00 0.00 O ATOM 614 OE2 GLU A 43 -1.492 12.430 0.210 1.00 0.00 O ATOM 0 H GLU A 43 -6.466 10.894 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.179 12.989 -0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.552 11.136 -1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.834 11.919 -3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.866 12.917 -2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.123 14.108 -1.980 1.00 0.00 H new ATOM 621 N SER A 44 -6.283 14.600 -2.088 1.00 0.00 N ATOM 622 CA SER A 44 -6.915 15.615 -2.940 1.00 0.00 C ATOM 623 C SER A 44 -5.884 16.558 -3.576 1.00 0.00 C ATOM 624 O SER A 44 -6.237 17.370 -4.433 1.00 0.00 O ATOM 625 CB SER A 44 -7.923 16.437 -2.129 1.00 0.00 C ATOM 626 OG SER A 44 -8.518 15.656 -1.107 1.00 0.00 O ATOM 0 H SER A 44 -6.185 14.878 -1.112 1.00 0.00 H new ATOM 0 HA SER A 44 -7.428 15.085 -3.742 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.422 17.298 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.697 16.824 -2.792 1.00 0.00 H new ATOM 0 HG SER A 44 -9.155 16.205 -0.604 1.00 0.00 H new ATOM 632 N ARG A 45 -4.618 16.458 -3.151 1.00 0.00 N ATOM 633 CA ARG A 45 -3.550 17.312 -3.680 1.00 0.00 C ATOM 634 C ARG A 45 -3.844 18.789 -3.410 1.00 0.00 C ATOM 635 O ARG A 45 -3.931 19.598 -4.335 1.00 0.00 O ATOM 636 CB ARG A 45 -3.364 17.073 -5.184 1.00 0.00 C ATOM 637 CG ARG A 45 -2.738 15.728 -5.518 1.00 0.00 C ATOM 638 CD ARG A 45 -3.238 15.194 -6.852 1.00 0.00 C ATOM 639 NE ARG A 45 -2.808 16.026 -7.978 1.00 0.00 N ATOM 640 CZ ARG A 45 -1.613 15.930 -8.571 1.00 0.00 C ATOM 641 NH1 ARG A 45 -0.715 15.046 -8.144 1.00 0.00 N ATOM 642 NH2 ARG A 45 -1.313 16.724 -9.593 1.00 0.00 N ATOM 0 H ARG A 45 -4.309 15.793 -2.442 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.625 17.049 -3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.334 17.144 -5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.739 17.866 -5.594 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.653 15.829 -5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.969 15.012 -4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.873 14.177 -6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.327 15.142 -6.836 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.462 16.724 -8.333 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.935 14.434 -7.358 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.194 14.980 -8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.994 17.407 -9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.402 16.651 -10.045 1.00 0.00 H new ATOM 656 N VAL A 46 -3.995 19.133 -2.128 1.00 0.00 N ATOM 657 CA VAL A 46 -4.278 20.506 -1.724 1.00 0.00 C ATOM 658 C VAL A 46 -2.998 21.250 -1.320 1.00 0.00 C ATOM 659 O VAL A 46 -3.015 22.089 -0.416 1.00 0.00 O ATOM 660 CB VAL A 46 -5.284 20.547 -0.551 1.00 0.00 C ATOM 661 CG1 VAL A 46 -6.709 20.386 -1.061 1.00 0.00 C ATOM 662 CG2 VAL A 46 -4.953 19.485 0.493 1.00 0.00 C ATOM 0 H VAL A 46 -3.925 18.474 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.716 21.005 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.203 21.521 -0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.402 20.418 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.941 21.195 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.806 19.430 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.677 19.537 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.994 18.498 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.952 19.661 0.886 1.00 0.00 H new ATOM 672 N PHE A 47 -1.890 20.942 -2.000 1.00 0.00 N ATOM 673 CA PHE A 47 -0.603 21.582 -1.718 1.00 0.00 C ATOM 674 C PHE A 47 0.402 21.287 -2.828 1.00 0.00 C ATOM 675 O PHE A 47 0.960 22.206 -3.429 1.00 0.00 O ATOM 676 CB PHE A 47 -0.044 21.107 -0.371 1.00 0.00 C ATOM 677 CG PHE A 47 0.962 22.050 0.227 1.00 0.00 C ATOM 678 CD1 PHE A 47 2.265 22.093 -0.251 1.00 0.00 C ATOM 679 CD2 PHE A 47 0.608 22.894 1.267 1.00 0.00 C ATOM 680 CE1 PHE A 47 3.190 22.960 0.299 1.00 0.00 C ATOM 681 CE2 PHE A 47 1.529 23.762 1.821 1.00 0.00 C ATOM 682 CZ PHE A 47 2.822 23.796 1.336 1.00 0.00 C ATOM 0 H PHE A 47 -1.859 20.252 -2.751 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.768 22.658 -1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.869 20.976 0.330 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.420 20.130 -0.504 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.559 21.442 -1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.402 22.873 1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.200 22.984 -0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.238 24.413 2.632 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.544 24.474 1.766 1.00 0.00 H new ATOM 692 N GLY A 48 0.628 19.999 -3.094 1.00 0.00 N ATOM 693 CA GLY A 48 1.563 19.602 -4.132 1.00 0.00 C ATOM 694 C GLY A 48 0.947 19.638 -5.519 1.00 0.00 C ATOM 695 O GLY A 48 0.887 18.614 -6.202 1.00 0.00 O ATOM 0 H GLY A 48 0.178 19.224 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.430 20.262 -4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.923 18.594 -3.925 1.00 0.00 H new ATOM 699 N ASP A 49 0.493 20.819 -5.938 1.00 0.00 N ATOM 700 CA ASP A 49 -0.118 20.986 -7.255 1.00 0.00 C ATOM 701 C ASP A 49 0.953 21.102 -8.335 1.00 0.00 C ATOM 702 O ASP A 49 0.898 20.410 -9.352 1.00 0.00 O ATOM 703 CB ASP A 49 -1.018 22.222 -7.271 1.00 0.00 C ATOM 704 CG ASP A 49 -2.415 21.926 -6.759 1.00 0.00 C ATOM 705 OD1 ASP A 49 -3.125 21.122 -7.400 1.00 0.00 O ATOM 706 OD2 ASP A 49 -2.797 22.494 -5.714 1.00 0.00 O ATOM 0 H ASP A 49 0.537 21.674 -5.384 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.726 20.106 -7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.568 23.004 -6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.081 22.609 -8.288 1.00 0.00 H new ATOM 711 N ASP A 50 1.934 21.973 -8.101 1.00 0.00 N ATOM 712 CA ASP A 50 3.028 22.176 -9.046 1.00 0.00 C ATOM 713 C ASP A 50 4.272 21.387 -8.621 1.00 0.00 C ATOM 714 O ASP A 50 5.403 21.816 -8.864 1.00 0.00 O ATOM 715 CB ASP A 50 3.360 23.666 -9.163 1.00 0.00 C ATOM 716 CG ASP A 50 3.582 24.097 -10.598 1.00 0.00 C ATOM 717 OD1 ASP A 50 2.590 24.441 -11.274 1.00 0.00 O ATOM 718 OD2 ASP A 50 4.746 24.089 -11.047 1.00 0.00 O ATOM 0 H ASP A 50 1.992 22.550 -7.262 1.00 0.00 H new ATOM 0 HA ASP A 50 2.707 21.809 -10.021 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.548 24.251 -8.732 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.254 23.883 -8.579 1.00 0.00 H new ATOM 723 N GLY A 51 4.056 20.235 -7.983 1.00 0.00 N ATOM 724 CA GLY A 51 5.161 19.411 -7.531 1.00 0.00 C ATOM 725 C GLY A 51 5.795 18.616 -8.655 1.00 0.00 C ATOM 726 O GLY A 51 6.597 19.151 -9.424 1.00 0.00 O ATOM 0 H GLY A 51 3.131 19.860 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.917 20.046 -7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.807 18.725 -6.761 1.00 0.00 H new ATOM 730 N GLU A 52 5.434 17.334 -8.749 1.00 0.00 N ATOM 731 CA GLU A 52 5.967 16.451 -9.785 1.00 0.00 C ATOM 732 C GLU A 52 7.498 16.404 -9.732 1.00 0.00 C ATOM 733 O GLU A 52 8.104 16.866 -8.762 1.00 0.00 O ATOM 734 CB GLU A 52 5.485 16.905 -11.169 1.00 0.00 C ATOM 735 CG GLU A 52 4.006 17.263 -11.212 1.00 0.00 C ATOM 736 CD GLU A 52 3.406 17.121 -12.599 1.00 0.00 C ATOM 737 OE1 GLU A 52 3.569 18.053 -13.413 1.00 0.00 O ATOM 738 OE2 GLU A 52 2.772 16.080 -12.868 1.00 0.00 O ATOM 0 H GLU A 52 4.772 16.884 -8.117 1.00 0.00 H new ATOM 0 HA GLU A 52 5.596 15.443 -9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.069 17.770 -11.482 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.679 16.111 -11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.462 16.622 -10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.875 18.289 -10.868 1.00 0.00 H new ATOM 745 N LEU A 53 8.113 15.839 -10.776 1.00 0.00 N ATOM 746 CA LEU A 53 9.572 15.725 -10.859 1.00 0.00 C ATOM 747 C LEU A 53 10.122 14.781 -9.786 1.00 0.00 C ATOM 748 O LEU A 53 10.493 13.645 -10.082 1.00 0.00 O ATOM 749 CB LEU A 53 10.235 17.104 -10.742 1.00 0.00 C ATOM 750 CG LEU A 53 10.524 17.803 -12.073 1.00 0.00 C ATOM 751 CD1 LEU A 53 9.401 18.768 -12.426 1.00 0.00 C ATOM 752 CD2 LEU A 53 11.859 18.533 -12.015 1.00 0.00 C ATOM 0 H LEU A 53 7.619 15.451 -11.580 1.00 0.00 H new ATOM 0 HA LEU A 53 9.811 15.303 -11.835 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.592 17.749 -10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.172 16.994 -10.197 1.00 0.00 H new ATOM 0 HG LEU A 53 10.582 17.044 -12.853 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.625 19.255 -13.375 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.463 18.219 -12.512 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.310 19.522 -11.644 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.047 19.024 -12.970 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.831 19.281 -11.222 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.656 17.818 -11.811 1.00 0.00 H new ATOM 764 N TYR A 54 10.174 15.258 -8.539 1.00 0.00 N ATOM 765 CA TYR A 54 10.681 14.458 -7.428 1.00 0.00 C ATOM 766 C TYR A 54 9.559 14.103 -6.450 1.00 0.00 C ATOM 767 O TYR A 54 8.856 14.985 -5.954 1.00 0.00 O ATOM 768 CB TYR A 54 11.792 15.217 -6.696 1.00 0.00 C ATOM 769 CG TYR A 54 13.115 15.226 -7.430 1.00 0.00 C ATOM 770 CD1 TYR A 54 13.369 16.147 -8.439 1.00 0.00 C ATOM 771 CD2 TYR A 54 14.112 14.312 -7.111 1.00 0.00 C ATOM 772 CE1 TYR A 54 14.578 16.159 -9.107 1.00 0.00 C ATOM 773 CE2 TYR A 54 15.323 14.319 -7.773 1.00 0.00 C ATOM 774 CZ TYR A 54 15.553 15.243 -8.771 1.00 0.00 C ATOM 775 OH TYR A 54 16.760 15.255 -9.430 1.00 0.00 O ATOM 0 H TYR A 54 9.870 16.196 -8.277 1.00 0.00 H new ATOM 0 HA TYR A 54 11.087 13.532 -7.834 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.470 16.246 -6.535 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.936 14.770 -5.712 1.00 0.00 H new ATOM 0 HD1 TYR A 54 12.608 16.866 -8.705 1.00 0.00 H new ATOM 0 HD2 TYR A 54 13.936 13.584 -6.332 1.00 0.00 H new ATOM 0 HE1 TYR A 54 14.759 16.882 -9.889 1.00 0.00 H new ATOM 0 HE2 TYR A 54 16.088 13.603 -7.510 1.00 0.00 H new ATOM 0 HH TYR A 54 17.335 14.547 -9.072 1.00 0.00 H new ATOM 785 N ASP A 55 9.397 12.806 -6.178 1.00 0.00 N ATOM 786 CA ASP A 55 8.360 12.333 -5.263 1.00 0.00 C ATOM 787 C ASP A 55 8.962 11.504 -4.126 1.00 0.00 C ATOM 788 O ASP A 55 10.070 10.975 -4.249 1.00 0.00 O ATOM 789 CB ASP A 55 7.321 11.500 -6.020 1.00 0.00 C ATOM 790 CG ASP A 55 6.153 12.331 -6.526 1.00 0.00 C ATOM 791 OD1 ASP A 55 5.749 13.286 -5.829 1.00 0.00 O ATOM 792 OD2 ASP A 55 5.641 12.022 -7.623 1.00 0.00 O ATOM 0 H ASP A 55 9.972 12.065 -6.580 1.00 0.00 H new ATOM 0 HA ASP A 55 7.873 13.207 -4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.803 11.007 -6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.945 10.714 -5.365 1.00 0.00 H new ATOM 797 N HIS A 56 8.227 11.395 -3.016 1.00 0.00 N ATOM 798 CA HIS A 56 8.693 10.633 -1.857 1.00 0.00 C ATOM 799 C HIS A 56 7.570 9.781 -1.260 1.00 0.00 C ATOM 800 O HIS A 56 6.601 10.312 -0.716 1.00 0.00 O ATOM 801 CB HIS A 56 9.250 11.577 -0.787 1.00 0.00 C ATOM 802 CG HIS A 56 10.416 12.390 -1.251 1.00 0.00 C ATOM 803 ND1 HIS A 56 11.526 11.841 -1.857 1.00 0.00 N ATOM 804 CD2 HIS A 56 10.642 13.724 -1.196 1.00 0.00 C ATOM 805 CE1 HIS A 56 12.384 12.800 -2.153 1.00 0.00 C ATOM 806 NE2 HIS A 56 11.871 13.953 -1.764 1.00 0.00 N ATOM 0 H HIS A 56 7.309 11.824 -2.897 1.00 0.00 H new ATOM 0 HA HIS A 56 9.485 9.966 -2.198 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.457 12.249 -0.460 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.550 10.991 0.082 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.979 14.469 -0.782 1.00 0.00 H new ATOM 0 HE1 HIS A 56 13.342 12.664 -2.632 1.00 0.00 H new ATOM 0 HE2 HIS A 56 12.315 14.865 -1.868 1.00 0.00 H new ATOM 815 N ILE A 57 7.720 8.459 -1.360 1.00 0.00 N ATOM 816 CA ILE A 57 6.733 7.522 -0.824 1.00 0.00 C ATOM 817 C ILE A 57 7.414 6.266 -0.276 1.00 0.00 C ATOM 818 O ILE A 57 7.850 5.399 -1.039 1.00 0.00 O ATOM 819 CB ILE A 57 5.689 7.110 -1.889 1.00 0.00 C ATOM 820 CG1 ILE A 57 6.372 6.728 -3.207 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.684 8.230 -2.113 1.00 0.00 C ATOM 822 CD1 ILE A 57 5.735 5.541 -3.895 1.00 0.00 C ATOM 0 H ILE A 57 8.519 8.012 -1.809 1.00 0.00 H new ATOM 0 HA ILE A 57 6.217 8.040 -0.016 1.00 0.00 H new ATOM 0 HB ILE A 57 5.155 6.235 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.348 7.584 -3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.421 6.505 -3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.958 7.922 -2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.168 8.448 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.205 9.123 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.269 5.327 -4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.783 4.672 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.693 5.768 -4.122 1.00 0.00 H new ATOM 834 N ASN A 58 7.509 6.179 1.050 1.00 0.00 N ATOM 835 CA ASN A 58 8.142 5.033 1.701 1.00 0.00 C ATOM 836 C ASN A 58 7.150 3.886 1.887 1.00 0.00 C ATOM 837 O ASN A 58 5.962 4.110 2.130 1.00 0.00 O ATOM 838 CB ASN A 58 8.728 5.444 3.057 1.00 0.00 C ATOM 839 CG ASN A 58 10.152 5.960 2.947 1.00 0.00 C ATOM 840 OD1 ASN A 58 10.547 6.517 1.922 1.00 0.00 O ATOM 841 ND2 ASN A 58 10.935 5.779 4.007 1.00 0.00 N ATOM 0 H ASN A 58 7.156 6.887 1.694 1.00 0.00 H new ATOM 0 HA ASN A 58 8.948 4.686 1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.099 6.216 3.501 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.707 4.588 3.732 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.901 6.107 3.989 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.570 5.313 4.837 1.00 0.00 H new ATOM 848 N VAL A 59 7.648 2.659 1.763 1.00 0.00 N ATOM 849 CA VAL A 59 6.814 1.470 1.911 1.00 0.00 C ATOM 850 C VAL A 59 7.563 0.366 2.666 1.00 0.00 C ATOM 851 O VAL A 59 8.762 0.163 2.463 1.00 0.00 O ATOM 852 CB VAL A 59 6.350 0.950 0.529 1.00 0.00 C ATOM 853 CG1 VAL A 59 7.537 0.510 -0.316 1.00 0.00 C ATOM 854 CG2 VAL A 59 5.339 -0.179 0.676 1.00 0.00 C ATOM 0 H VAL A 59 8.628 2.462 1.560 1.00 0.00 H new ATOM 0 HA VAL A 59 5.935 1.750 2.491 1.00 0.00 H new ATOM 0 HB VAL A 59 5.857 1.774 0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.182 0.149 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.208 1.355 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.072 -0.290 0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.032 -0.523 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.793 -1.005 1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.467 0.182 1.222 1.00 0.00 H new ATOM 864 N LEU A 60 6.847 -0.340 3.540 1.00 0.00 N ATOM 865 CA LEU A 60 7.432 -1.419 4.329 1.00 0.00 C ATOM 866 C LEU A 60 7.235 -2.762 3.635 1.00 0.00 C ATOM 867 O LEU A 60 6.174 -3.031 3.073 1.00 0.00 O ATOM 868 CB LEU A 60 6.804 -1.456 5.728 1.00 0.00 C ATOM 869 CG LEU A 60 7.791 -1.621 6.886 1.00 0.00 C ATOM 870 CD1 LEU A 60 8.597 -2.902 6.730 1.00 0.00 C ATOM 871 CD2 LEU A 60 8.711 -0.411 6.977 1.00 0.00 C ATOM 0 H LEU A 60 5.855 -0.181 3.719 1.00 0.00 H new ATOM 0 HA LEU A 60 8.501 -1.231 4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.242 -0.534 5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.087 -2.276 5.764 1.00 0.00 H new ATOM 0 HG LEU A 60 7.223 -1.691 7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.292 -2.998 7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.922 -3.758 6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.155 -2.869 5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.407 -0.544 7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.270 -0.308 6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.116 0.487 7.144 1.00 0.00 H new ATOM 883 N ARG A 61 8.269 -3.598 3.679 1.00 0.00 N ATOM 884 CA ARG A 61 8.226 -4.917 3.053 1.00 0.00 C ATOM 885 C ARG A 61 8.474 -6.021 4.079 1.00 0.00 C ATOM 886 O ARG A 61 9.238 -5.838 5.027 1.00 0.00 O ATOM 887 CB ARG A 61 9.261 -5.006 1.925 1.00 0.00 C ATOM 888 CG ARG A 61 10.675 -4.640 2.356 1.00 0.00 C ATOM 889 CD ARG A 61 10.962 -3.162 2.136 1.00 0.00 C ATOM 890 NE ARG A 61 12.322 -2.798 2.531 1.00 0.00 N ATOM 891 CZ ARG A 61 13.399 -2.994 1.767 1.00 0.00 C ATOM 892 NH1 ARG A 61 13.288 -3.576 0.575 1.00 0.00 N ATOM 893 NH2 ARG A 61 14.597 -2.614 2.201 1.00 0.00 N ATOM 0 H ARG A 61 9.151 -3.384 4.144 1.00 0.00 H new ATOM 0 HA ARG A 61 7.230 -5.057 2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.264 -6.021 1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.957 -4.346 1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.810 -4.885 3.410 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.393 -5.238 1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.813 -2.918 1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.249 -2.566 2.706 1.00 0.00 H new ATOM 0 HE ARG A 61 12.456 -2.368 3.446 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.374 -3.877 0.238 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.117 -3.721 -0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.692 -2.174 3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.421 -2.763 1.619 1.00 0.00 H new ATOM 907 N ASN A 62 7.821 -7.168 3.881 1.00 0.00 N ATOM 908 CA ASN A 62 7.967 -8.309 4.790 1.00 0.00 C ATOM 909 C ASN A 62 9.188 -9.177 4.441 1.00 0.00 C ATOM 910 O ASN A 62 9.269 -10.334 4.857 1.00 0.00 O ATOM 911 CB ASN A 62 6.693 -9.169 4.773 1.00 0.00 C ATOM 912 CG ASN A 62 6.412 -9.781 3.410 1.00 0.00 C ATOM 913 OD1 ASN A 62 6.065 -9.076 2.462 1.00 0.00 O ATOM 914 ND2 ASN A 62 6.554 -11.099 3.305 1.00 0.00 N ATOM 0 H ASN A 62 7.186 -7.332 3.100 1.00 0.00 H new ATOM 0 HA ASN A 62 8.124 -7.906 5.791 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.788 -9.966 5.511 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.843 -8.556 5.073 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.373 -11.562 2.414 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.844 -11.647 4.115 1.00 0.00 H new ATOM 921 N GLY A 63 10.141 -8.616 3.683 1.00 0.00 N ATOM 922 CA GLY A 63 11.331 -9.365 3.311 1.00 0.00 C ATOM 923 C GLY A 63 11.384 -9.692 1.827 1.00 0.00 C ATOM 924 O GLY A 63 12.047 -10.649 1.423 1.00 0.00 O ATOM 0 H GLY A 63 10.106 -7.662 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.216 -8.790 3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.365 -10.292 3.884 1.00 0.00 H new ATOM 928 N GLU A 64 10.684 -8.898 1.013 1.00 0.00 N ATOM 929 CA GLU A 64 10.654 -9.108 -0.427 1.00 0.00 C ATOM 930 C GLU A 64 11.447 -8.026 -1.155 1.00 0.00 C ATOM 931 O GLU A 64 11.627 -6.921 -0.638 1.00 0.00 O ATOM 932 CB GLU A 64 9.208 -9.109 -0.926 1.00 0.00 C ATOM 933 CG GLU A 64 8.847 -10.331 -1.757 1.00 0.00 C ATOM 934 CD GLU A 64 8.872 -11.619 -0.952 1.00 0.00 C ATOM 935 OE1 GLU A 64 8.287 -11.642 0.152 1.00 0.00 O ATOM 936 OE2 GLU A 64 9.478 -12.603 -1.426 1.00 0.00 O ATOM 0 H GLU A 64 10.131 -8.103 1.333 1.00 0.00 H new ATOM 0 HA GLU A 64 11.113 -10.074 -0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.537 -9.053 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.038 -8.212 -1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.853 -10.194 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.543 -10.416 -2.591 1.00 0.00 H new ATOM 943 N ALA A 65 11.912 -8.354 -2.357 1.00 0.00 N ATOM 944 CA ALA A 65 12.679 -7.413 -3.166 1.00 0.00 C ATOM 945 C ALA A 65 11.802 -6.759 -4.237 1.00 0.00 C ATOM 946 O ALA A 65 11.499 -7.374 -5.261 1.00 0.00 O ATOM 947 CB ALA A 65 13.876 -8.111 -3.805 1.00 0.00 C ATOM 0 H ALA A 65 11.771 -9.266 -2.792 1.00 0.00 H new ATOM 0 HA ALA A 65 13.046 -6.625 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.437 -7.395 -4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.521 -8.515 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.526 -8.923 -4.443 1.00 0.00 H new ATOM 953 N ALA A 66 11.405 -5.506 -3.988 1.00 0.00 N ATOM 954 CA ALA A 66 10.568 -4.743 -4.917 1.00 0.00 C ATOM 955 C ALA A 66 9.187 -5.378 -5.091 1.00 0.00 C ATOM 956 O ALA A 66 9.054 -6.440 -5.705 1.00 0.00 O ATOM 957 CB ALA A 66 11.263 -4.590 -6.263 1.00 0.00 C ATOM 0 H ALA A 66 11.654 -4.996 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 66 10.420 -3.753 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.625 -4.020 -6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.208 -4.064 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.454 -5.575 -6.688 1.00 0.00 H new ATOM 963 N ALA A 67 8.165 -4.715 -4.547 1.00 0.00 N ATOM 964 CA ALA A 67 6.788 -5.202 -4.631 1.00 0.00 C ATOM 965 C ALA A 67 6.014 -4.512 -5.754 1.00 0.00 C ATOM 966 O ALA A 67 6.058 -3.288 -5.890 1.00 0.00 O ATOM 967 CB ALA A 67 6.076 -4.987 -3.300 1.00 0.00 C ATOM 0 H ALA A 67 8.267 -3.835 -4.041 1.00 0.00 H new ATOM 0 HA ALA A 67 6.825 -6.268 -4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.052 -5.353 -3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.601 -5.531 -2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.066 -3.924 -3.060 1.00 0.00 H new ATOM 973 N LEU A 68 5.295 -5.310 -6.550 1.00 0.00 N ATOM 974 CA LEU A 68 4.494 -4.788 -7.659 1.00 0.00 C ATOM 975 C LEU A 68 3.613 -5.887 -8.260 1.00 0.00 C ATOM 976 O LEU A 68 2.389 -5.853 -8.130 1.00 0.00 O ATOM 977 CB LEU A 68 5.392 -4.192 -8.752 1.00 0.00 C ATOM 978 CG LEU A 68 4.912 -2.866 -9.359 1.00 0.00 C ATOM 979 CD1 LEU A 68 3.559 -3.036 -10.036 1.00 0.00 C ATOM 980 CD2 LEU A 68 4.848 -1.774 -8.298 1.00 0.00 C ATOM 0 H LEU A 68 5.252 -6.324 -6.445 1.00 0.00 H new ATOM 0 HA LEU A 68 3.855 -4.000 -7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.388 -4.040 -8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.490 -4.923 -9.554 1.00 0.00 H new ATOM 0 HG LEU A 68 5.635 -2.563 -10.116 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.241 -2.083 -10.458 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.641 -3.776 -10.832 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.825 -3.371 -9.303 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.505 -0.845 -8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.154 -2.071 -7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.839 -1.624 -7.870 1.00 0.00 H new ATOM 992 N GLY A 69 4.247 -6.860 -8.914 1.00 0.00 N ATOM 993 CA GLY A 69 3.508 -7.952 -9.525 1.00 0.00 C ATOM 994 C GLY A 69 3.528 -9.213 -8.681 1.00 0.00 C ATOM 995 O GLY A 69 3.820 -10.297 -9.188 1.00 0.00 O ATOM 0 H GLY A 69 5.259 -6.910 -9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.475 -7.642 -9.685 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.931 -8.169 -10.506 1.00 0.00 H new ATOM 999 N GLU A 70 3.219 -9.073 -7.390 1.00 0.00 N ATOM 1000 CA GLU A 70 3.209 -10.215 -6.479 1.00 0.00 C ATOM 1001 C GLU A 70 1.784 -10.602 -6.070 1.00 0.00 C ATOM 1002 O GLU A 70 1.561 -11.101 -4.966 1.00 0.00 O ATOM 1003 CB GLU A 70 4.054 -9.908 -5.240 1.00 0.00 C ATOM 1004 CG GLU A 70 5.471 -10.454 -5.322 1.00 0.00 C ATOM 1005 CD GLU A 70 6.527 -9.381 -5.124 1.00 0.00 C ATOM 1006 OE1 GLU A 70 6.400 -8.587 -4.168 1.00 0.00 O ATOM 1007 OE2 GLU A 70 7.481 -9.334 -5.929 1.00 0.00 O ATOM 0 H GLU A 70 2.974 -8.184 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 70 3.641 -11.065 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.097 -8.828 -5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.562 -10.326 -4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.601 -11.229 -4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.618 -10.927 -6.293 1.00 0.00 H new ATOM 1014 N ALA A 71 0.823 -10.384 -6.972 1.00 0.00 N ATOM 1015 CA ALA A 71 -0.574 -10.729 -6.709 1.00 0.00 C ATOM 1016 C ALA A 71 -0.715 -12.198 -6.306 1.00 0.00 C ATOM 1017 O ALA A 71 -1.560 -12.543 -5.480 1.00 0.00 O ATOM 1018 CB ALA A 71 -1.429 -10.440 -7.933 1.00 0.00 C ATOM 0 H ALA A 71 0.988 -9.970 -7.890 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.920 -10.114 -5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.466 -10.702 -7.722 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.365 -9.380 -8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.070 -11.031 -8.776 1.00 0.00 H new ATOM 1024 N THR A 72 0.118 -13.059 -6.896 1.00 0.00 N ATOM 1025 CA THR A 72 0.086 -14.492 -6.602 1.00 0.00 C ATOM 1026 C THR A 72 1.169 -14.883 -5.588 1.00 0.00 C ATOM 1027 O THR A 72 1.684 -16.003 -5.618 1.00 0.00 O ATOM 1028 CB THR A 72 0.257 -15.303 -7.893 1.00 0.00 C ATOM 1029 OG1 THR A 72 1.039 -14.594 -8.838 1.00 0.00 O ATOM 1030 CG2 THR A 72 -1.060 -15.649 -8.554 1.00 0.00 C ATOM 0 H THR A 72 0.823 -12.787 -7.581 1.00 0.00 H new ATOM 0 HA THR A 72 -0.885 -14.719 -6.161 1.00 0.00 H new ATOM 0 HB THR A 72 0.752 -16.226 -7.591 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.136 -15.131 -9.652 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.872 -16.222 -9.462 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.666 -16.242 -7.869 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.592 -14.732 -8.808 1.00 0.00 H new ATOM 1038 N ALA A 73 1.503 -13.962 -4.684 1.00 0.00 N ATOM 1039 CA ALA A 73 2.512 -14.217 -3.660 1.00 0.00 C ATOM 1040 C ALA A 73 1.876 -14.238 -2.273 1.00 0.00 C ATOM 1041 O ALA A 73 0.872 -13.564 -2.036 1.00 0.00 O ATOM 1042 CB ALA A 73 3.609 -13.164 -3.725 1.00 0.00 C ATOM 0 H ALA A 73 1.088 -13.031 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 73 2.956 -15.195 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.354 -13.367 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.083 -13.193 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.176 -12.177 -3.560 1.00 0.00 H new ATOM 1048 N ALA A 74 2.463 -15.010 -1.361 1.00 0.00 N ATOM 1049 CA ALA A 74 1.948 -15.110 0.003 1.00 0.00 C ATOM 1050 C ALA A 74 2.311 -13.864 0.813 1.00 0.00 C ATOM 1051 O ALA A 74 3.179 -13.907 1.689 1.00 0.00 O ATOM 1052 CB ALA A 74 2.475 -16.369 0.682 1.00 0.00 C ATOM 0 H ALA A 74 3.294 -15.574 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 74 0.861 -15.176 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.081 -16.427 1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.157 -17.246 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.564 -16.335 0.717 1.00 0.00 H new ATOM 1058 N GLY A 75 1.645 -12.749 0.504 1.00 0.00 N ATOM 1059 CA GLY A 75 1.905 -11.500 1.197 1.00 0.00 C ATOM 1060 C GLY A 75 2.227 -10.363 0.243 1.00 0.00 C ATOM 1061 O GLY A 75 2.827 -10.584 -0.811 1.00 0.00 O ATOM 0 H GLY A 75 0.927 -12.692 -0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.035 -11.232 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.737 -11.638 1.888 1.00 0.00 H new ATOM 1065 N ASP A 76 1.829 -9.144 0.613 1.00 0.00 N ATOM 1066 CA ASP A 76 2.079 -7.969 -0.220 1.00 0.00 C ATOM 1067 C ASP A 76 3.170 -7.095 0.391 1.00 0.00 C ATOM 1068 O ASP A 76 4.294 -7.053 -0.108 1.00 0.00 O ATOM 1069 CB ASP A 76 0.790 -7.156 -0.401 1.00 0.00 C ATOM 1070 CG ASP A 76 -0.137 -7.739 -1.453 1.00 0.00 C ATOM 1071 OD1 ASP A 76 -0.198 -8.980 -1.577 1.00 0.00 O ATOM 1072 OD2 ASP A 76 -0.809 -6.951 -2.151 1.00 0.00 O ATOM 0 H ASP A 76 1.333 -8.946 1.482 1.00 0.00 H new ATOM 0 HA ASP A 76 2.418 -8.312 -1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.263 -7.105 0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.048 -6.134 -0.678 1.00 0.00 H new ATOM 1077 N GLU A 77 2.826 -6.399 1.470 1.00 0.00 N ATOM 1078 CA GLU A 77 3.766 -5.520 2.157 1.00 0.00 C ATOM 1079 C GLU A 77 3.454 -5.465 3.653 1.00 0.00 C ATOM 1080 O GLU A 77 2.645 -6.251 4.153 1.00 0.00 O ATOM 1081 CB GLU A 77 3.699 -4.114 1.547 1.00 0.00 C ATOM 1082 CG GLU A 77 2.282 -3.583 1.406 1.00 0.00 C ATOM 1083 CD GLU A 77 2.220 -2.070 1.410 1.00 0.00 C ATOM 1084 OE1 GLU A 77 2.607 -1.455 0.395 1.00 0.00 O ATOM 1085 OE2 GLU A 77 1.775 -1.499 2.430 1.00 0.00 O ATOM 0 H GLU A 77 1.897 -6.427 1.890 1.00 0.00 H new ATOM 0 HA GLU A 77 4.774 -5.915 2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.275 -3.429 2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.173 -4.129 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.849 -3.958 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.671 -3.969 2.222 1.00 0.00 H new ATOM 1092 N LEU A 78 4.095 -4.540 4.362 1.00 0.00 N ATOM 1093 CA LEU A 78 3.872 -4.387 5.796 1.00 0.00 C ATOM 1094 C LEU A 78 3.168 -3.062 6.098 1.00 0.00 C ATOM 1095 O LEU A 78 2.248 -3.013 6.917 1.00 0.00 O ATOM 1096 CB LEU A 78 5.201 -4.469 6.556 1.00 0.00 C ATOM 1097 CG LEU A 78 5.298 -5.587 7.603 1.00 0.00 C ATOM 1098 CD1 LEU A 78 4.391 -5.293 8.789 1.00 0.00 C ATOM 1099 CD2 LEU A 78 4.953 -6.938 6.988 1.00 0.00 C ATOM 0 H LEU A 78 4.772 -3.886 3.968 1.00 0.00 H new ATOM 0 HA LEU A 78 3.228 -5.201 6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.005 -4.603 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.374 -3.514 7.053 1.00 0.00 H new ATOM 0 HG LEU A 78 6.327 -5.628 7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.475 -6.098 9.519 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.689 -4.352 9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.358 -5.219 8.448 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.029 -7.714 7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.936 -6.911 6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.647 -7.156 6.177 1.00 0.00 H new ATOM 1111 N ALA A 79 3.603 -1.989 5.430 1.00 0.00 N ATOM 1112 CA ALA A 79 3.014 -0.665 5.627 1.00 0.00 C ATOM 1113 C ALA A 79 3.282 0.246 4.423 1.00 0.00 C ATOM 1114 O ALA A 79 4.106 -0.073 3.569 1.00 0.00 O ATOM 1115 CB ALA A 79 3.563 -0.037 6.902 1.00 0.00 C ATOM 0 H ALA A 79 4.361 -2.014 4.748 1.00 0.00 H new ATOM 0 HA ALA A 79 1.934 -0.781 5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.120 0.949 7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.317 -0.670 7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.646 0.060 6.823 1.00 0.00 H new ATOM 1121 N LEU A 80 2.577 1.377 4.361 1.00 0.00 N ATOM 1122 CA LEU A 80 2.738 2.330 3.259 1.00 0.00 C ATOM 1123 C LEU A 80 2.549 3.770 3.751 1.00 0.00 C ATOM 1124 O LEU A 80 1.421 4.235 3.922 1.00 0.00 O ATOM 1125 CB LEU A 80 1.734 2.015 2.141 1.00 0.00 C ATOM 1126 CG LEU A 80 2.036 2.663 0.786 1.00 0.00 C ATOM 1127 CD1 LEU A 80 1.593 1.754 -0.351 1.00 0.00 C ATOM 1128 CD2 LEU A 80 1.353 4.020 0.678 1.00 0.00 C ATOM 0 H LEU A 80 1.889 1.656 5.060 1.00 0.00 H new ATOM 0 HA LEU A 80 3.750 2.234 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.693 0.934 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.743 2.334 2.465 1.00 0.00 H new ATOM 0 HG LEU A 80 3.113 2.812 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.815 2.231 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.125 0.805 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.521 1.574 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.579 4.465 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.275 3.894 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.716 4.674 1.471 1.00 0.00 H new ATOM 1140 N PHE A 81 3.661 4.470 3.984 1.00 0.00 N ATOM 1141 CA PHE A 81 3.608 5.853 4.462 1.00 0.00 C ATOM 1142 C PHE A 81 4.834 6.649 4.007 1.00 0.00 C ATOM 1143 O PHE A 81 5.941 6.117 3.957 1.00 0.00 O ATOM 1144 CB PHE A 81 3.495 5.883 5.993 1.00 0.00 C ATOM 1145 CG PHE A 81 4.679 5.291 6.714 1.00 0.00 C ATOM 1146 CD1 PHE A 81 4.962 3.935 6.621 1.00 0.00 C ATOM 1147 CD2 PHE A 81 5.508 6.091 7.483 1.00 0.00 C ATOM 1148 CE1 PHE A 81 6.047 3.392 7.282 1.00 0.00 C ATOM 1149 CE2 PHE A 81 6.594 5.553 8.148 1.00 0.00 C ATOM 1150 CZ PHE A 81 6.864 4.203 8.046 1.00 0.00 C ATOM 0 H PHE A 81 4.604 4.105 3.850 1.00 0.00 H new ATOM 0 HA PHE A 81 2.724 6.322 4.030 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.367 6.916 6.316 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.596 5.343 6.290 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.326 3.297 6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.303 7.148 7.564 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.256 2.335 7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.230 6.188 8.747 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.713 3.781 8.563 1.00 0.00 H new ATOM 1160 N PRO A 82 4.650 7.946 3.672 1.00 0.00 N ATOM 1161 CA PRO A 82 5.748 8.819 3.225 1.00 0.00 C ATOM 1162 C PRO A 82 6.911 8.855 4.219 1.00 0.00 C ATOM 1163 O PRO A 82 6.718 8.636 5.418 1.00 0.00 O ATOM 1164 CB PRO A 82 5.092 10.200 3.121 1.00 0.00 C ATOM 1165 CG PRO A 82 3.640 9.923 2.938 1.00 0.00 C ATOM 1166 CD PRO A 82 3.359 8.663 3.709 1.00 0.00 C ATOM 0 HA PRO A 82 6.185 8.469 2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.271 10.791 4.019 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.495 10.766 2.281 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.035 10.751 3.309 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.396 9.798 1.883 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.048 8.878 4.731 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.562 8.079 3.249 1.00 0.00 H new ATOM 1174 N PRO A 83 8.137 9.132 3.735 1.00 0.00 N ATOM 1175 CA PRO A 83 9.329 9.194 4.590 1.00 0.00 C ATOM 1176 C PRO A 83 9.306 10.391 5.543 1.00 0.00 C ATOM 1177 O PRO A 83 9.608 10.254 6.727 1.00 0.00 O ATOM 1178 CB PRO A 83 10.485 9.320 3.592 1.00 0.00 C ATOM 1179 CG PRO A 83 9.876 9.903 2.364 1.00 0.00 C ATOM 1180 CD PRO A 83 8.456 9.407 2.319 1.00 0.00 C ATOM 0 HA PRO A 83 9.406 8.321 5.238 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.275 9.961 3.983 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.935 8.349 3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.906 10.992 2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.424 9.594 1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.784 10.153 1.895 1.00 0.00 H new ATOM 0 HD3 PRO A 83 8.364 8.510 1.706 1.00 0.00 H new ATOM 1188 N VAL A 84 8.946 11.564 5.014 1.00 0.00 N ATOM 1189 CA VAL A 84 8.881 12.784 5.812 1.00 0.00 C ATOM 1190 C VAL A 84 7.711 13.658 5.363 1.00 0.00 C ATOM 1191 O VAL A 84 7.661 14.094 4.210 1.00 0.00 O ATOM 1192 CB VAL A 84 10.190 13.602 5.708 1.00 0.00 C ATOM 1193 CG1 VAL A 84 10.181 14.765 6.694 1.00 0.00 C ATOM 1194 CG2 VAL A 84 11.404 12.713 5.940 1.00 0.00 C ATOM 0 H VAL A 84 8.695 11.691 4.033 1.00 0.00 H new ATOM 0 HA VAL A 84 8.738 12.482 6.849 1.00 0.00 H new ATOM 0 HB VAL A 84 10.254 14.010 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.111 15.326 6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.339 15.421 6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.087 14.380 7.710 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.313 13.310 5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.346 12.269 6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.424 11.922 5.190 1.00 0.00 H new ATOM 1204 N SER A 85 6.770 13.909 6.273 1.00 0.00 N ATOM 1205 CA SER A 85 5.601 14.730 5.959 1.00 0.00 C ATOM 1206 C SER A 85 5.910 16.214 6.152 1.00 0.00 C ATOM 1207 O SER A 85 6.330 16.635 7.233 1.00 0.00 O ATOM 1208 CB SER A 85 4.404 14.324 6.825 1.00 0.00 C ATOM 1209 OG SER A 85 4.741 14.326 8.203 1.00 0.00 O ATOM 0 H SER A 85 6.794 13.557 7.230 1.00 0.00 H new ATOM 0 HA SER A 85 5.347 14.563 4.912 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.576 15.011 6.650 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.062 13.331 6.534 1.00 0.00 H new ATOM 0 HG SER A 85 5.379 15.048 8.383 1.00 0.00 H new ATOM 1215 N GLY A 86 5.702 17.001 5.096 1.00 0.00 N ATOM 1216 CA GLY A 86 5.963 18.429 5.161 1.00 0.00 C ATOM 1217 C GLY A 86 4.693 19.259 5.083 1.00 0.00 C ATOM 1218 O GLY A 86 4.571 20.134 4.225 1.00 0.00 O ATOM 0 H GLY A 86 5.356 16.672 4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.485 18.657 6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.628 18.711 4.344 1.00 0.00 H new ATOM 1222 N GLY A 87 3.745 18.984 5.982 1.00 0.00 N ATOM 1223 CA GLY A 87 2.488 19.718 5.993 1.00 0.00 C ATOM 1224 C GLY A 87 1.476 19.142 6.968 1.00 0.00 C ATOM 1225 O GLY A 87 0.592 19.901 7.420 1.00 0.00 O ATOM 0 H GLY A 87 3.826 18.266 6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.683 20.759 6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.062 19.714 4.990 1.00 0.00 H new TER 1229 GLY A 87