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+ -165:sc= -1.06 (180deg=-1.36) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 32:sc= 0.203 USER MOD Single : A 17 THR OG1 : rot 26:sc= 0.252 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A 39 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-1.2) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.0195 X(o=-0.02,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0452 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0153 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.034 -8.075 0.967 1.00 0.00 N ATOM 2 CA MET A 1 0.588 -8.572 2.297 1.00 0.00 C ATOM 3 C MET A 1 -0.178 -7.496 3.058 1.00 0.00 C ATOM 4 O MET A 1 -1.344 -7.682 3.402 1.00 0.00 O ATOM 5 CB MET A 1 1.821 -9.009 3.093 1.00 0.00 C ATOM 6 CG MET A 1 1.497 -9.555 4.475 1.00 0.00 C ATOM 7 SD MET A 1 2.637 -10.851 4.993 1.00 0.00 S ATOM 8 CE MET A 1 1.727 -11.577 6.353 1.00 0.00 C ATOM 0 H1 MET A 1 1.321 -8.880 0.374 1.00 0.00 H new ATOM 0 H2 MET A 1 0.252 -7.567 0.506 1.00 0.00 H new ATOM 0 H3 MET A 1 1.841 -7.430 1.090 1.00 0.00 H new ATOM 0 HA MET A 1 -0.086 -9.417 2.157 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.356 -9.772 2.527 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.495 -8.159 3.197 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.525 -8.741 5.199 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.480 -9.948 4.477 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.304 -12.397 6.780 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.550 -10.820 7.118 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.772 -11.956 5.990 1.00 0.00 H new ATOM 20 N GLU A 2 0.485 -6.371 3.321 1.00 0.00 N ATOM 21 CA GLU A 2 -0.136 -5.267 4.045 1.00 0.00 C ATOM 22 C GLU A 2 0.406 -3.926 3.568 1.00 0.00 C ATOM 23 O GLU A 2 1.610 -3.779 3.345 1.00 0.00 O ATOM 24 CB GLU A 2 0.105 -5.417 5.546 1.00 0.00 C ATOM 25 CG GLU A 2 -0.434 -6.714 6.128 1.00 0.00 C ATOM 26 CD GLU A 2 -0.056 -6.900 7.584 1.00 0.00 C ATOM 27 OE1 GLU A 2 -0.546 -6.120 8.428 1.00 0.00 O ATOM 28 OE2 GLU A 2 0.730 -7.823 7.880 1.00 0.00 O ATOM 0 H GLU A 2 1.452 -6.202 3.043 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.208 -5.296 3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.176 -5.360 5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.358 -4.577 6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.520 -6.727 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.054 -7.554 5.547 1.00 0.00 H new ATOM 35 N TRP A 3 -0.496 -2.953 3.430 1.00 0.00 N ATOM 36 CA TRP A 3 -0.134 -1.607 2.997 1.00 0.00 C ATOM 37 C TRP A 3 -0.846 -0.576 3.870 1.00 0.00 C ATOM 38 O TRP A 3 -2.078 -0.524 3.896 1.00 0.00 O ATOM 39 CB TRP A 3 -0.518 -1.367 1.526 1.00 0.00 C ATOM 40 CG TRP A 3 -0.261 -2.526 0.604 1.00 0.00 C ATOM 41 CD1 TRP A 3 0.816 -3.363 0.608 1.00 0.00 C ATOM 42 CD2 TRP A 3 -1.101 -2.962 -0.474 1.00 0.00 C ATOM 43 NE1 TRP A 3 0.693 -4.299 -0.390 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.474 -4.072 -1.070 1.00 0.00 C ATOM 45 CE3 TRP A 3 -2.322 -2.521 -0.992 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.030 -4.750 -2.152 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -2.871 -3.192 -2.068 1.00 0.00 C ATOM 48 CH2 TRP A 3 -2.225 -4.295 -2.639 1.00 0.00 C ATOM 0 H TRP A 3 -1.492 -3.077 3.615 1.00 0.00 H new ATOM 0 HA TRP A 3 0.947 -1.505 3.095 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.577 -1.113 1.480 1.00 0.00 H new ATOM 0 HB3 TRP A 3 0.033 -0.501 1.159 1.00 0.00 H new ATOM 0 HD1 TRP A 3 1.646 -3.299 1.296 1.00 0.00 H new ATOM 0 HE1 TRP A 3 1.362 -5.042 -0.592 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -2.828 -1.671 -0.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -0.536 -5.604 -2.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -3.814 -2.860 -2.475 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -2.679 -4.797 -3.481 1.00 0.00 H new ATOM 59 N LYS A 4 -0.074 0.241 4.580 1.00 0.00 N ATOM 60 CA LYS A 4 -0.643 1.274 5.445 1.00 0.00 C ATOM 61 C LYS A 4 -0.232 2.660 4.956 1.00 0.00 C ATOM 62 O LYS A 4 0.910 2.864 4.550 1.00 0.00 O ATOM 63 CB LYS A 4 -0.179 1.076 6.893 1.00 0.00 C ATOM 64 CG LYS A 4 -0.943 -0.006 7.644 1.00 0.00 C ATOM 65 CD LYS A 4 -0.092 -0.639 8.736 1.00 0.00 C ATOM 66 CE LYS A 4 0.325 0.385 9.782 1.00 0.00 C ATOM 67 NZ LYS A 4 0.864 -0.256 11.014 1.00 0.00 N ATOM 0 H LYS A 4 0.946 0.210 4.575 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.729 1.192 5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.882 0.824 6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.283 2.019 7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.842 0.423 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.268 -0.775 6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.651 -1.443 9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.796 -1.089 8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.080 1.047 9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.533 1.005 10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.135 0.479 11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.136 -0.868 11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.698 -0.827 10.771 1.00 0.00 H new ATOM 81 N LEU A 5 -1.160 3.613 4.998 1.00 0.00 N ATOM 82 CA LEU A 5 -0.867 4.977 4.559 1.00 0.00 C ATOM 83 C LEU A 5 -1.155 5.978 5.673 1.00 0.00 C ATOM 84 O LEU A 5 -2.117 5.819 6.427 1.00 0.00 O ATOM 85 CB LEU A 5 -1.683 5.334 3.314 1.00 0.00 C ATOM 86 CG LEU A 5 -0.906 6.062 2.214 1.00 0.00 C ATOM 87 CD1 LEU A 5 -0.516 7.465 2.666 1.00 0.00 C ATOM 88 CD2 LEU A 5 0.329 5.263 1.816 1.00 0.00 C ATOM 0 H LEU A 5 -2.114 3.469 5.329 1.00 0.00 H new ATOM 0 HA LEU A 5 0.193 5.026 4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.100 4.417 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.524 5.958 3.617 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.553 6.154 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.035 7.964 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.415 8.036 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.111 7.400 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.870 5.795 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.977 5.138 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.025 4.284 1.446 1.00 0.00 H new ATOM 100 N PHE A 6 -0.313 7.002 5.776 1.00 0.00 N ATOM 101 CA PHE A 6 -0.472 8.024 6.798 1.00 0.00 C ATOM 102 C PHE A 6 -1.523 9.065 6.383 1.00 0.00 C ATOM 103 O PHE A 6 -2.217 8.889 5.381 1.00 0.00 O ATOM 104 CB PHE A 6 0.885 8.677 7.097 1.00 0.00 C ATOM 105 CG PHE A 6 1.389 9.620 6.035 1.00 0.00 C ATOM 106 CD1 PHE A 6 1.940 9.137 4.857 1.00 0.00 C ATOM 107 CD2 PHE A 6 1.318 10.990 6.222 1.00 0.00 C ATOM 108 CE1 PHE A 6 2.411 10.004 3.889 1.00 0.00 C ATOM 109 CE2 PHE A 6 1.786 11.862 5.257 1.00 0.00 C ATOM 110 CZ PHE A 6 2.331 11.368 4.088 1.00 0.00 C ATOM 0 H PHE A 6 0.488 7.144 5.161 1.00 0.00 H new ATOM 0 HA PHE A 6 -0.835 7.554 7.712 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.809 9.222 8.038 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.625 7.890 7.243 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.002 8.071 4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.892 11.382 7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.841 9.615 2.978 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.726 12.928 5.417 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.694 12.047 3.331 1.00 0.00 H new ATOM 120 N ALA A 7 -1.650 10.128 7.183 1.00 0.00 N ATOM 121 CA ALA A 7 -2.633 11.199 6.939 1.00 0.00 C ATOM 122 C ALA A 7 -2.757 11.596 5.466 1.00 0.00 C ATOM 123 O ALA A 7 -3.808 12.086 5.050 1.00 0.00 O ATOM 124 CB ALA A 7 -2.292 12.423 7.777 1.00 0.00 C ATOM 0 H ALA A 7 -1.079 10.274 8.016 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.602 10.796 7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.024 13.208 7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.309 12.157 8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.298 12.782 7.509 1.00 0.00 H new ATOM 130 N ASP A 8 -1.694 11.391 4.682 1.00 0.00 N ATOM 131 CA ASP A 8 -1.704 11.734 3.255 1.00 0.00 C ATOM 132 C ASP A 8 -3.042 11.383 2.610 1.00 0.00 C ATOM 133 O ASP A 8 -3.628 12.192 1.889 1.00 0.00 O ATOM 134 CB ASP A 8 -0.574 11.000 2.523 1.00 0.00 C ATOM 135 CG ASP A 8 0.229 11.898 1.596 1.00 0.00 C ATOM 136 OD1 ASP A 8 -0.107 13.095 1.467 1.00 0.00 O ATOM 137 OD2 ASP A 8 1.198 11.396 0.991 1.00 0.00 O ATOM 0 H ASP A 8 -0.816 10.990 5.011 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.552 12.810 3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.097 10.557 3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.999 10.180 1.944 1.00 0.00 H new ATOM 142 N LEU A 9 -3.518 10.173 2.883 1.00 0.00 N ATOM 143 CA LEU A 9 -4.787 9.703 2.335 1.00 0.00 C ATOM 144 C LEU A 9 -5.837 9.515 3.436 1.00 0.00 C ATOM 145 O LEU A 9 -7.038 9.548 3.163 1.00 0.00 O ATOM 146 CB LEU A 9 -4.585 8.394 1.573 1.00 0.00 C ATOM 147 CG LEU A 9 -4.131 8.556 0.119 1.00 0.00 C ATOM 148 CD1 LEU A 9 -2.637 8.289 -0.012 1.00 0.00 C ATOM 149 CD2 LEU A 9 -4.924 7.630 -0.794 1.00 0.00 C ATOM 0 H LEU A 9 -3.043 9.498 3.482 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.153 10.464 1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.847 7.792 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.521 7.835 1.586 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.321 9.585 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.336 8.409 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.085 8.994 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.419 7.272 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.588 7.759 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.768 6.596 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.985 7.872 -0.726 1.00 0.00 H new ATOM 161 N ALA A 10 -5.384 9.323 4.678 1.00 0.00 N ATOM 162 CA ALA A 10 -6.296 9.138 5.808 1.00 0.00 C ATOM 163 C ALA A 10 -6.906 10.466 6.276 1.00 0.00 C ATOM 164 O ALA A 10 -7.743 10.481 7.180 1.00 0.00 O ATOM 165 CB ALA A 10 -5.578 8.453 6.962 1.00 0.00 C ATOM 0 H ALA A 10 -4.395 9.292 4.925 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.113 8.503 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.269 8.323 7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.214 7.479 6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.736 9.067 7.282 1.00 0.00 H new ATOM 171 N GLU A 11 -6.494 11.577 5.660 1.00 0.00 N ATOM 172 CA GLU A 11 -7.018 12.891 6.024 1.00 0.00 C ATOM 173 C GLU A 11 -8.451 13.068 5.526 1.00 0.00 C ATOM 174 O GLU A 11 -9.265 13.729 6.175 1.00 0.00 O ATOM 175 CB GLU A 11 -6.131 14.000 5.448 1.00 0.00 C ATOM 176 CG GLU A 11 -5.162 14.592 6.458 1.00 0.00 C ATOM 177 CD GLU A 11 -3.983 15.290 5.801 1.00 0.00 C ATOM 178 OE1 GLU A 11 -4.214 16.161 4.936 1.00 0.00 O ATOM 179 OE2 GLU A 11 -2.831 14.964 6.155 1.00 0.00 O ATOM 0 H GLU A 11 -5.802 11.591 4.911 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.017 12.960 7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.566 13.601 4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.766 14.795 5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.693 15.303 7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.793 13.799 7.109 1.00 0.00 H new ATOM 186 N VAL A 12 -8.754 12.483 4.367 1.00 0.00 N ATOM 187 CA VAL A 12 -10.087 12.587 3.781 1.00 0.00 C ATOM 188 C VAL A 12 -10.957 11.379 4.135 1.00 0.00 C ATOM 189 O VAL A 12 -12.068 11.539 4.644 1.00 0.00 O ATOM 190 CB VAL A 12 -10.019 12.722 2.245 1.00 0.00 C ATOM 191 CG1 VAL A 12 -11.378 13.107 1.681 1.00 0.00 C ATOM 192 CG2 VAL A 12 -8.958 13.739 1.842 1.00 0.00 C ATOM 0 H VAL A 12 -8.094 11.933 3.817 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.538 13.485 4.202 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.739 11.755 1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.310 13.197 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.108 12.339 1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.691 14.061 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.926 13.820 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.204 14.710 2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.985 13.415 2.211 1.00 0.00 H new ATOM 202 N ALA A 13 -10.454 10.177 3.859 1.00 0.00 N ATOM 203 CA ALA A 13 -11.197 8.950 4.145 1.00 0.00 C ATOM 204 C ALA A 13 -11.164 8.603 5.632 1.00 0.00 C ATOM 205 O ALA A 13 -12.167 8.166 6.197 1.00 0.00 O ATOM 206 CB ALA A 13 -10.649 7.793 3.322 1.00 0.00 C ATOM 0 H ALA A 13 -9.537 10.026 3.439 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.237 9.124 3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.213 6.888 3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.742 8.025 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.599 7.637 3.568 1.00 0.00 H new ATOM 212 N GLY A 14 -10.002 8.791 6.255 1.00 0.00 N ATOM 213 CA GLY A 14 -9.852 8.484 7.667 1.00 0.00 C ATOM 214 C GLY A 14 -8.898 7.329 7.911 1.00 0.00 C ATOM 215 O GLY A 14 -8.231 7.276 8.945 1.00 0.00 O ATOM 0 H GLY A 14 -9.161 9.151 5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.489 9.368 8.191 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.827 8.241 8.089 1.00 0.00 H new ATOM 219 N SER A 15 -8.833 6.399 6.953 1.00 0.00 N ATOM 220 CA SER A 15 -7.957 5.236 7.069 1.00 0.00 C ATOM 221 C SER A 15 -7.626 4.653 5.695 1.00 0.00 C ATOM 222 O SER A 15 -8.525 4.323 4.920 1.00 0.00 O ATOM 223 CB SER A 15 -8.614 4.165 7.945 1.00 0.00 C ATOM 224 OG SER A 15 -9.902 3.824 7.458 1.00 0.00 O ATOM 0 H SER A 15 -9.377 6.432 6.091 1.00 0.00 H new ATOM 0 HA SER A 15 -7.027 5.562 7.534 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.985 3.276 7.970 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.694 4.528 8.970 1.00 0.00 H new ATOM 0 HG SER A 15 -9.917 3.915 6.482 1.00 0.00 H new ATOM 230 N ARG A 16 -6.330 4.529 5.403 1.00 0.00 N ATOM 231 CA ARG A 16 -5.876 3.980 4.126 1.00 0.00 C ATOM 232 C ARG A 16 -5.010 2.734 4.342 1.00 0.00 C ATOM 233 O ARG A 16 -4.064 2.483 3.592 1.00 0.00 O ATOM 234 CB ARG A 16 -5.094 5.040 3.339 1.00 0.00 C ATOM 235 CG ARG A 16 -5.598 5.246 1.918 1.00 0.00 C ATOM 236 CD ARG A 16 -5.616 3.941 1.132 1.00 0.00 C ATOM 237 NE ARG A 16 -6.416 4.049 -0.087 1.00 0.00 N ATOM 238 CZ ARG A 16 -7.065 3.025 -0.652 1.00 0.00 C ATOM 239 NH1 ARG A 16 -6.998 1.804 -0.126 1.00 0.00 N ATOM 240 NH2 ARG A 16 -7.777 3.225 -1.755 1.00 0.00 N ATOM 0 H ARG A 16 -5.577 4.802 6.034 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.754 3.689 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.146 5.988 3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.044 4.751 3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.603 5.668 1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.962 5.970 1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.595 3.660 0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.016 3.145 1.760 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.483 4.963 -0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.447 1.641 0.717 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.497 1.031 -0.566 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.827 4.156 -2.168 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.274 2.447 -2.189 1.00 0.00 H new ATOM 254 N THR A 17 -5.344 1.953 5.371 1.00 0.00 N ATOM 255 CA THR A 17 -4.605 0.733 5.688 1.00 0.00 C ATOM 256 C THR A 17 -5.391 -0.504 5.255 1.00 0.00 C ATOM 257 O THR A 17 -6.557 -0.665 5.619 1.00 0.00 O ATOM 258 CB THR A 17 -4.301 0.671 7.191 1.00 0.00 C ATOM 259 OG1 THR A 17 -5.473 0.383 7.935 1.00 0.00 O ATOM 260 CG2 THR A 17 -3.714 1.955 7.742 1.00 0.00 C ATOM 0 H THR A 17 -6.124 2.146 6.000 1.00 0.00 H new ATOM 0 HA THR A 17 -3.663 0.750 5.139 1.00 0.00 H new ATOM 0 HB THR A 17 -3.562 -0.123 7.297 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.105 -0.111 7.372 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.524 1.840 8.809 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.778 2.177 7.229 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.417 2.773 7.585 1.00 0.00 H new ATOM 268 N VAL A 18 -4.752 -1.373 4.469 1.00 0.00 N ATOM 269 CA VAL A 18 -5.406 -2.587 3.984 1.00 0.00 C ATOM 270 C VAL A 18 -4.463 -3.794 4.017 1.00 0.00 C ATOM 271 O VAL A 18 -3.245 -3.645 3.894 1.00 0.00 O ATOM 272 CB VAL A 18 -5.932 -2.401 2.543 1.00 0.00 C ATOM 273 CG1 VAL A 18 -6.813 -3.572 2.134 1.00 0.00 C ATOM 274 CG2 VAL A 18 -6.692 -1.087 2.411 1.00 0.00 C ATOM 0 H VAL A 18 -3.788 -1.259 4.157 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.244 -2.776 4.655 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.074 -2.369 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.172 -3.419 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.236 -4.495 2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.664 -3.642 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.053 -0.977 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.539 -1.086 3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.028 -0.257 2.653 1.00 0.00 H new ATOM 284 N ARG A 19 -5.042 -4.988 4.173 1.00 0.00 N ATOM 285 CA ARG A 19 -4.270 -6.231 4.214 1.00 0.00 C ATOM 286 C ARG A 19 -4.696 -7.175 3.088 1.00 0.00 C ATOM 287 O ARG A 19 -5.799 -7.056 2.551 1.00 0.00 O ATOM 288 CB ARG A 19 -4.443 -6.927 5.570 1.00 0.00 C ATOM 289 CG ARG A 19 -5.894 -7.077 6.002 1.00 0.00 C ATOM 290 CD ARG A 19 -6.096 -8.302 6.882 1.00 0.00 C ATOM 291 NE ARG A 19 -7.404 -8.293 7.534 1.00 0.00 N ATOM 292 CZ ARG A 19 -7.884 -9.300 8.263 1.00 0.00 C ATOM 293 NH1 ARG A 19 -7.169 -10.409 8.442 1.00 0.00 N ATOM 294 NH2 ARG A 19 -9.087 -9.199 8.815 1.00 0.00 N ATOM 0 H ARG A 19 -6.049 -5.119 4.273 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.219 -5.977 4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.984 -7.914 5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.904 -6.361 6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.206 -6.184 6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.530 -7.154 5.120 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.997 -9.204 6.278 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.313 -8.339 7.639 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.987 -7.463 7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.245 -10.494 8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.546 -11.174 9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.640 -8.353 8.680 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.458 -9.968 9.374 1.00 0.00 H new ATOM 308 N VAL A 20 -3.814 -8.109 2.731 1.00 0.00 N ATOM 309 CA VAL A 20 -4.100 -9.070 1.670 1.00 0.00 C ATOM 310 C VAL A 20 -4.481 -10.432 2.246 1.00 0.00 C ATOM 311 O VAL A 20 -3.702 -11.052 2.973 1.00 0.00 O ATOM 312 CB VAL A 20 -2.891 -9.243 0.724 1.00 0.00 C ATOM 313 CG1 VAL A 20 -3.252 -10.123 -0.464 1.00 0.00 C ATOM 314 CG2 VAL A 20 -2.384 -7.890 0.249 1.00 0.00 C ATOM 0 H VAL A 20 -2.896 -8.219 3.162 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.941 -8.671 1.103 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.094 -9.734 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.384 -10.229 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.561 -11.106 -0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.069 -9.665 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.532 -8.034 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.179 -7.371 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.077 -7.294 1.109 1.00 0.00 H new ATOM 324 N ASP A 21 -5.691 -10.886 1.915 1.00 0.00 N ATOM 325 CA ASP A 21 -6.196 -12.171 2.391 1.00 0.00 C ATOM 326 C ASP A 21 -6.876 -12.945 1.264 1.00 0.00 C ATOM 327 O ASP A 21 -6.642 -14.142 1.090 1.00 0.00 O ATOM 328 CB ASP A 21 -7.185 -11.951 3.537 1.00 0.00 C ATOM 329 CG ASP A 21 -6.582 -12.251 4.895 1.00 0.00 C ATOM 330 OD1 ASP A 21 -5.971 -13.329 5.052 1.00 0.00 O ATOM 331 OD2 ASP A 21 -6.725 -11.410 5.806 1.00 0.00 O ATOM 0 H ASP A 21 -6.341 -10.378 1.316 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.349 -12.757 2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.533 -10.918 3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.059 -12.584 3.384 1.00 0.00 H new ATOM 336 N VAL A 22 -7.722 -12.252 0.506 1.00 0.00 N ATOM 337 CA VAL A 22 -8.448 -12.861 -0.602 1.00 0.00 C ATOM 338 C VAL A 22 -7.627 -12.830 -1.892 1.00 0.00 C ATOM 339 O VAL A 22 -6.846 -11.905 -2.123 1.00 0.00 O ATOM 340 CB VAL A 22 -9.801 -12.152 -0.839 1.00 0.00 C ATOM 341 CG1 VAL A 22 -9.588 -10.698 -1.244 1.00 0.00 C ATOM 342 CG2 VAL A 22 -10.623 -12.890 -1.887 1.00 0.00 C ATOM 0 H VAL A 22 -7.922 -11.261 0.642 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.633 -13.900 -0.328 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.357 -12.164 0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.554 -10.220 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.052 -10.175 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.005 -10.658 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.571 -12.373 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.073 -12.919 -2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.815 -13.908 -1.548 1.00 0.00 H new ATOM 352 N ASP A 23 -7.815 -13.851 -2.731 1.00 0.00 N ATOM 353 CA ASP A 23 -7.102 -13.948 -4.001 1.00 0.00 C ATOM 354 C ASP A 23 -7.977 -13.467 -5.156 1.00 0.00 C ATOM 355 O ASP A 23 -9.160 -13.806 -5.234 1.00 0.00 O ATOM 356 CB ASP A 23 -6.655 -15.394 -4.251 1.00 0.00 C ATOM 357 CG ASP A 23 -5.634 -15.502 -5.369 1.00 0.00 C ATOM 358 OD1 ASP A 23 -6.040 -15.470 -6.551 1.00 0.00 O ATOM 359 OD2 ASP A 23 -4.429 -15.619 -5.063 1.00 0.00 O ATOM 0 H ASP A 23 -8.457 -14.623 -2.551 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.222 -13.307 -3.945 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.230 -15.803 -3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.525 -16.002 -4.498 1.00 0.00 H new ATOM 364 N GLY A 24 -7.386 -12.681 -6.056 1.00 0.00 N ATOM 365 CA GLY A 24 -8.122 -12.169 -7.201 1.00 0.00 C ATOM 366 C GLY A 24 -7.210 -11.754 -8.345 1.00 0.00 C ATOM 367 O GLY A 24 -5.985 -11.788 -8.211 1.00 0.00 O ATOM 0 H GLY A 24 -6.409 -12.390 -6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.816 -12.932 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.721 -11.313 -6.890 1.00 0.00 H new ATOM 371 N ASP A 25 -7.810 -11.357 -9.468 1.00 0.00 N ATOM 372 CA ASP A 25 -7.048 -10.927 -10.643 1.00 0.00 C ATOM 373 C ASP A 25 -6.142 -9.739 -10.315 1.00 0.00 C ATOM 374 O ASP A 25 -5.066 -9.592 -10.898 1.00 0.00 O ATOM 375 CB ASP A 25 -7.999 -10.564 -11.790 1.00 0.00 C ATOM 376 CG ASP A 25 -8.182 -11.706 -12.773 1.00 0.00 C ATOM 377 OD1 ASP A 25 -8.473 -12.835 -12.325 1.00 0.00 O ATOM 378 OD2 ASP A 25 -8.036 -11.469 -13.990 1.00 0.00 O ATOM 0 H ASP A 25 -8.822 -11.324 -9.589 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.415 -11.758 -10.953 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.969 -10.283 -11.379 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.612 -9.692 -12.318 1.00 0.00 H new ATOM 383 N ALA A 26 -6.581 -8.896 -9.380 1.00 0.00 N ATOM 384 CA ALA A 26 -5.803 -7.728 -8.975 1.00 0.00 C ATOM 385 C ALA A 26 -4.452 -8.143 -8.394 1.00 0.00 C ATOM 386 O ALA A 26 -4.388 -8.835 -7.376 1.00 0.00 O ATOM 387 CB ALA A 26 -6.586 -6.896 -7.968 1.00 0.00 C ATOM 0 H ALA A 26 -7.470 -9.001 -8.890 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.615 -7.120 -9.860 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.995 -6.029 -7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.520 -6.562 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.804 -7.501 -7.088 1.00 0.00 H new ATOM 393 N THR A 27 -3.371 -7.715 -9.050 1.00 0.00 N ATOM 394 CA THR A 27 -2.015 -8.039 -8.605 1.00 0.00 C ATOM 395 C THR A 27 -1.691 -7.334 -7.286 1.00 0.00 C ATOM 396 O THR A 27 -2.517 -6.592 -6.752 1.00 0.00 O ATOM 397 CB THR A 27 -0.994 -7.651 -9.681 1.00 0.00 C ATOM 398 OG1 THR A 27 -1.640 -7.329 -10.902 1.00 0.00 O ATOM 399 CG2 THR A 27 0.004 -8.748 -9.973 1.00 0.00 C ATOM 0 H THR A 27 -3.409 -7.142 -9.893 1.00 0.00 H new ATOM 0 HA THR A 27 -1.959 -9.115 -8.439 1.00 0.00 H new ATOM 0 HB THR A 27 -0.465 -6.788 -9.277 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.969 -7.083 -11.572 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.699 -8.412 -10.742 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.557 -8.988 -9.065 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.523 -9.636 -10.323 1.00 0.00 H new ATOM 407 N VAL A 28 -0.482 -7.560 -6.772 1.00 0.00 N ATOM 408 CA VAL A 28 -0.057 -6.938 -5.523 1.00 0.00 C ATOM 409 C VAL A 28 0.259 -5.468 -5.748 1.00 0.00 C ATOM 410 O VAL A 28 -0.124 -4.614 -4.949 1.00 0.00 O ATOM 411 CB VAL A 28 1.171 -7.643 -4.896 1.00 0.00 C ATOM 412 CG1 VAL A 28 0.748 -8.908 -4.161 1.00 0.00 C ATOM 413 CG2 VAL A 28 2.229 -7.960 -5.945 1.00 0.00 C ATOM 0 H VAL A 28 0.216 -8.167 -7.201 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.886 -7.038 -4.822 1.00 0.00 H new ATOM 0 HB VAL A 28 1.614 -6.955 -4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.626 -9.388 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.047 -8.650 -3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.268 -9.592 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.076 -8.454 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.804 -8.618 -6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.565 -7.035 -6.414 1.00 0.00 H new ATOM 423 N GLY A 29 0.942 -5.175 -6.852 1.00 0.00 N ATOM 424 CA GLY A 29 1.273 -3.806 -7.165 1.00 0.00 C ATOM 425 C GLY A 29 0.182 -3.119 -7.968 1.00 0.00 C ATOM 426 O GLY A 29 0.009 -1.901 -7.877 1.00 0.00 O ATOM 0 H GLY A 29 1.269 -5.863 -7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.442 -3.255 -6.240 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.206 -3.779 -7.727 1.00 0.00 H new ATOM 430 N ASP A 30 -0.568 -3.908 -8.750 1.00 0.00 N ATOM 431 CA ASP A 30 -1.662 -3.380 -9.568 1.00 0.00 C ATOM 432 C ASP A 30 -2.716 -2.701 -8.690 1.00 0.00 C ATOM 433 O ASP A 30 -3.316 -1.701 -9.085 1.00 0.00 O ATOM 434 CB ASP A 30 -2.300 -4.510 -10.386 1.00 0.00 C ATOM 435 CG ASP A 30 -3.465 -4.045 -11.243 1.00 0.00 C ATOM 436 OD1 ASP A 30 -3.254 -3.179 -12.118 1.00 0.00 O ATOM 437 OD2 ASP A 30 -4.587 -4.555 -11.042 1.00 0.00 O ATOM 0 H ASP A 30 -0.434 -4.916 -8.831 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.254 -2.635 -10.251 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.541 -4.958 -11.028 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.645 -5.290 -9.708 1.00 0.00 H new ATOM 442 N ALA A 31 -2.925 -3.247 -7.488 1.00 0.00 N ATOM 443 CA ALA A 31 -3.888 -2.688 -6.542 1.00 0.00 C ATOM 444 C ALA A 31 -3.205 -1.695 -5.609 1.00 0.00 C ATOM 445 O ALA A 31 -3.826 -0.737 -5.155 1.00 0.00 O ATOM 446 CB ALA A 31 -4.560 -3.796 -5.739 1.00 0.00 C ATOM 0 H ALA A 31 -2.438 -4.077 -7.149 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.656 -2.161 -7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.273 -3.358 -5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.083 -4.470 -6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.805 -4.353 -5.185 1.00 0.00 H new ATOM 452 N LEU A 32 -1.919 -1.924 -5.328 1.00 0.00 N ATOM 453 CA LEU A 32 -1.160 -1.033 -4.453 1.00 0.00 C ATOM 454 C LEU A 32 -1.079 0.369 -5.053 1.00 0.00 C ATOM 455 O LEU A 32 -1.431 1.354 -4.403 1.00 0.00 O ATOM 456 CB LEU A 32 0.254 -1.579 -4.232 1.00 0.00 C ATOM 457 CG LEU A 32 1.111 -0.789 -3.239 1.00 0.00 C ATOM 458 CD1 LEU A 32 1.808 -1.734 -2.273 1.00 0.00 C ATOM 459 CD2 LEU A 32 2.130 0.075 -3.971 1.00 0.00 C ATOM 0 H LEU A 32 -1.387 -2.714 -5.692 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.677 -0.979 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.178 -2.609 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.770 -1.605 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 32 0.456 -0.131 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.413 -1.158 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.062 -2.306 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.449 -2.417 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.727 0.627 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.783 -0.560 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.610 0.778 -4.622 1.00 0.00 H new ATOM 471 N ASP A 33 -0.613 0.450 -6.302 1.00 0.00 N ATOM 472 CA ASP A 33 -0.484 1.728 -6.992 1.00 0.00 C ATOM 473 C ASP A 33 -1.854 2.362 -7.246 1.00 0.00 C ATOM 474 O ASP A 33 -1.989 3.585 -7.247 1.00 0.00 O ATOM 475 CB ASP A 33 0.293 1.545 -8.303 1.00 0.00 C ATOM 476 CG ASP A 33 -0.554 1.045 -9.461 1.00 0.00 C ATOM 477 OD1 ASP A 33 -1.320 0.081 -9.270 1.00 0.00 O ATOM 478 OD2 ASP A 33 -0.441 1.615 -10.563 1.00 0.00 O ATOM 0 H ASP A 33 -0.320 -0.357 -6.853 1.00 0.00 H new ATOM 0 HA ASP A 33 0.075 2.410 -6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.744 2.497 -8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.109 0.843 -8.134 1.00 0.00 H new ATOM 483 N ALA A 34 -2.868 1.523 -7.448 1.00 0.00 N ATOM 484 CA ALA A 34 -4.228 2.003 -7.689 1.00 0.00 C ATOM 485 C ALA A 34 -4.861 2.529 -6.404 1.00 0.00 C ATOM 486 O ALA A 34 -5.476 3.592 -6.399 1.00 0.00 O ATOM 487 CB ALA A 34 -5.090 0.906 -8.290 1.00 0.00 C ATOM 0 H ALA A 34 -2.774 0.507 -7.450 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.167 2.826 -8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.097 1.287 -8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.659 0.583 -9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.133 0.060 -7.604 1.00 0.00 H new ATOM 493 N LEU A 35 -4.699 1.779 -5.315 1.00 0.00 N ATOM 494 CA LEU A 35 -5.249 2.177 -4.019 1.00 0.00 C ATOM 495 C LEU A 35 -4.617 3.481 -3.544 1.00 0.00 C ATOM 496 O LEU A 35 -5.260 4.288 -2.873 1.00 0.00 O ATOM 497 CB LEU A 35 -5.006 1.081 -2.975 1.00 0.00 C ATOM 498 CG LEU A 35 -6.156 0.087 -2.785 1.00 0.00 C ATOM 499 CD1 LEU A 35 -6.483 -0.617 -4.093 1.00 0.00 C ATOM 500 CD2 LEU A 35 -5.808 -0.928 -1.700 1.00 0.00 C ATOM 0 H LEU A 35 -4.192 0.894 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.322 2.326 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.112 0.526 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.797 1.556 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.040 0.641 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.302 -1.318 -3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.776 0.121 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.605 -1.159 -4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.635 -1.627 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.910 -1.475 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.630 -0.408 -0.759 1.00 0.00 H new ATOM 512 N VAL A 36 -3.347 3.675 -3.897 1.00 0.00 N ATOM 513 CA VAL A 36 -2.619 4.880 -3.507 1.00 0.00 C ATOM 514 C VAL A 36 -2.814 6.002 -4.529 1.00 0.00 C ATOM 515 O VAL A 36 -2.861 7.179 -4.168 1.00 0.00 O ATOM 516 CB VAL A 36 -1.111 4.598 -3.345 1.00 0.00 C ATOM 517 CG1 VAL A 36 -0.382 5.845 -2.862 1.00 0.00 C ATOM 518 CG2 VAL A 36 -0.876 3.433 -2.392 1.00 0.00 C ATOM 0 H VAL A 36 -2.802 3.014 -4.451 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.026 5.197 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.710 4.322 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.680 5.626 -2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.515 6.648 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.789 6.154 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.195 3.253 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.295 3.672 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.360 2.539 -2.785 1.00 0.00 H new ATOM 528 N GLY A 37 -2.920 5.628 -5.803 1.00 0.00 N ATOM 529 CA GLY A 37 -3.100 6.609 -6.856 1.00 0.00 C ATOM 530 C GLY A 37 -4.539 6.719 -7.336 1.00 0.00 C ATOM 531 O GLY A 37 -4.788 7.220 -8.433 1.00 0.00 O ATOM 0 H GLY A 37 -2.884 4.660 -6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.769 7.583 -6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.462 6.347 -7.700 1.00 0.00 H new ATOM 535 N ALA A 38 -5.489 6.251 -6.521 1.00 0.00 N ATOM 536 CA ALA A 38 -6.905 6.310 -6.885 1.00 0.00 C ATOM 537 C ALA A 38 -7.377 7.754 -7.019 1.00 0.00 C ATOM 538 O ALA A 38 -7.956 8.122 -8.038 1.00 0.00 O ATOM 539 CB ALA A 38 -7.755 5.572 -5.859 1.00 0.00 C ATOM 0 H ALA A 38 -5.304 5.830 -5.611 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.021 5.821 -7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.804 5.628 -6.148 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.446 4.528 -5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.624 6.032 -4.879 1.00 0.00 H new ATOM 545 N HIS A 39 -7.113 8.552 -5.969 1.00 0.00 N ATOM 546 CA HIS A 39 -7.470 9.972 -5.894 1.00 0.00 C ATOM 547 C HIS A 39 -8.674 10.215 -4.980 1.00 0.00 C ATOM 548 O HIS A 39 -8.548 10.936 -3.989 1.00 0.00 O ATOM 549 CB HIS A 39 -7.715 10.591 -7.259 1.00 0.00 C ATOM 550 CG HIS A 39 -6.538 10.505 -8.185 1.00 0.00 C ATOM 551 ND1 HIS A 39 -6.666 10.381 -9.552 1.00 0.00 N ATOM 552 CD2 HIS A 39 -5.204 10.521 -7.937 1.00 0.00 C ATOM 553 CE1 HIS A 39 -5.469 10.322 -10.103 1.00 0.00 C ATOM 554 NE2 HIS A 39 -4.562 10.404 -9.145 1.00 0.00 N ATOM 0 H HIS A 39 -6.635 8.216 -5.133 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.602 10.468 -5.459 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.568 10.096 -7.724 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.987 11.639 -7.129 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.734 10.609 -6.969 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.264 10.223 -11.159 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.551 10.384 -9.281 1.00 0.00 H new ATOM 563 N PRO A 40 -9.857 9.621 -5.273 1.00 0.00 N ATOM 564 CA PRO A 40 -11.043 9.805 -4.427 1.00 0.00 C ATOM 565 C PRO A 40 -10.775 9.419 -2.976 1.00 0.00 C ATOM 566 O PRO A 40 -11.471 9.873 -2.067 1.00 0.00 O ATOM 567 CB PRO A 40 -12.080 8.859 -5.029 1.00 0.00 C ATOM 568 CG PRO A 40 -11.637 8.640 -6.431 1.00 0.00 C ATOM 569 CD PRO A 40 -10.136 8.728 -6.413 1.00 0.00 C ATOM 0 HA PRO A 40 -11.361 10.847 -4.407 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.123 7.920 -4.478 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.078 9.295 -4.995 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.966 7.667 -6.796 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -12.063 9.391 -7.096 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.678 7.748 -6.277 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.747 9.135 -7.346 1.00 0.00 H new ATOM 577 N ALA A 41 -9.753 8.583 -2.764 1.00 0.00 N ATOM 578 CA ALA A 41 -9.386 8.147 -1.421 1.00 0.00 C ATOM 579 C ALA A 41 -8.959 9.337 -0.567 1.00 0.00 C ATOM 580 O ALA A 41 -9.130 9.332 0.652 1.00 0.00 O ATOM 581 CB ALA A 41 -8.277 7.105 -1.484 1.00 0.00 C ATOM 0 H ALA A 41 -9.169 8.198 -3.506 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.260 7.691 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.015 6.791 -0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.620 6.242 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.401 7.535 -1.969 1.00 0.00 H new ATOM 587 N LEU A 42 -8.412 10.362 -1.222 1.00 0.00 N ATOM 588 CA LEU A 42 -7.970 11.568 -0.532 1.00 0.00 C ATOM 589 C LEU A 42 -8.409 12.822 -1.292 1.00 0.00 C ATOM 590 O LEU A 42 -7.769 13.873 -1.195 1.00 0.00 O ATOM 591 CB LEU A 42 -6.447 11.552 -0.366 1.00 0.00 C ATOM 592 CG LEU A 42 -5.640 11.759 -1.652 1.00 0.00 C ATOM 593 CD1 LEU A 42 -4.238 12.247 -1.324 1.00 0.00 C ATOM 594 CD2 LEU A 42 -5.584 10.473 -2.467 1.00 0.00 C ATOM 0 H LEU A 42 -8.266 10.378 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.433 11.589 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.169 12.329 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.157 10.598 0.074 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.139 12.519 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.677 12.389 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.299 13.193 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.732 11.509 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.006 10.643 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.110 9.689 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.596 10.166 -2.732 1.00 0.00 H new ATOM 606 N GLU A 43 -9.506 12.705 -2.051 1.00 0.00 N ATOM 607 CA GLU A 43 -10.033 13.820 -2.836 1.00 0.00 C ATOM 608 C GLU A 43 -9.118 14.129 -4.019 1.00 0.00 C ATOM 609 O GLU A 43 -7.893 14.159 -3.880 1.00 0.00 O ATOM 610 CB GLU A 43 -10.208 15.064 -1.959 1.00 0.00 C ATOM 611 CG GLU A 43 -11.432 15.893 -2.319 1.00 0.00 C ATOM 612 CD GLU A 43 -11.096 17.071 -3.212 1.00 0.00 C ATOM 613 OE1 GLU A 43 -10.276 17.917 -2.797 1.00 0.00 O ATOM 614 OE2 GLU A 43 -11.648 17.143 -4.330 1.00 0.00 O ATOM 0 H GLU A 43 -10.045 11.844 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.010 13.529 -3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.281 14.756 -0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.318 15.688 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.162 15.258 -2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.901 16.257 -1.405 1.00 0.00 H new ATOM 621 N SER A 44 -9.723 14.350 -5.186 1.00 0.00 N ATOM 622 CA SER A 44 -8.967 14.649 -6.400 1.00 0.00 C ATOM 623 C SER A 44 -8.100 15.897 -6.227 1.00 0.00 C ATOM 624 O SER A 44 -6.963 15.936 -6.698 1.00 0.00 O ATOM 625 CB SER A 44 -9.917 14.825 -7.586 1.00 0.00 C ATOM 626 OG SER A 44 -10.396 13.570 -8.042 1.00 0.00 O ATOM 0 H SER A 44 -10.735 14.327 -5.315 1.00 0.00 H new ATOM 0 HA SER A 44 -8.304 13.806 -6.596 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.757 15.455 -7.294 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.401 15.338 -8.397 1.00 0.00 H new ATOM 0 HG SER A 44 -11.003 13.707 -8.799 1.00 0.00 H new ATOM 632 N ARG A 45 -8.639 16.910 -5.544 1.00 0.00 N ATOM 633 CA ARG A 45 -7.912 18.156 -5.302 1.00 0.00 C ATOM 634 C ARG A 45 -7.524 18.836 -6.617 1.00 0.00 C ATOM 635 O ARG A 45 -6.365 18.797 -7.031 1.00 0.00 O ATOM 636 CB ARG A 45 -6.663 17.889 -4.451 1.00 0.00 C ATOM 637 CG ARG A 45 -6.944 17.847 -2.957 1.00 0.00 C ATOM 638 CD ARG A 45 -5.787 17.228 -2.187 1.00 0.00 C ATOM 639 NE ARG A 45 -5.401 18.035 -1.030 1.00 0.00 N ATOM 640 CZ ARG A 45 -4.478 17.669 -0.137 1.00 0.00 C ATOM 641 NH1 ARG A 45 -3.839 16.505 -0.262 1.00 0.00 N ATOM 642 NH2 ARG A 45 -4.190 18.467 0.882 1.00 0.00 N ATOM 0 H ARG A 45 -9.579 16.890 -5.148 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.573 18.830 -4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.221 16.940 -4.756 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.924 18.664 -4.652 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.126 18.858 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.853 17.274 -2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.067 16.229 -1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.930 17.114 -2.851 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.866 18.933 -0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.054 15.887 -1.044 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.135 16.233 0.425 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.673 19.360 0.983 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.485 18.188 1.565 1.00 0.00 H new ATOM 656 N VAL A 46 -8.507 19.467 -7.260 1.00 0.00 N ATOM 657 CA VAL A 46 -8.281 20.165 -8.522 1.00 0.00 C ATOM 658 C VAL A 46 -8.346 21.679 -8.316 1.00 0.00 C ATOM 659 O VAL A 46 -9.272 22.347 -8.782 1.00 0.00 O ATOM 660 CB VAL A 46 -9.307 19.742 -9.597 1.00 0.00 C ATOM 661 CG1 VAL A 46 -8.919 20.297 -10.961 1.00 0.00 C ATOM 662 CG2 VAL A 46 -9.433 18.226 -9.647 1.00 0.00 C ATOM 0 H VAL A 46 -9.469 19.508 -6.925 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.286 19.890 -8.872 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.278 20.157 -9.327 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.655 19.987 -11.703 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.886 21.386 -10.915 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.937 19.916 -11.243 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.160 17.946 -10.410 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.465 17.788 -9.890 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.765 17.856 -8.677 1.00 0.00 H new ATOM 672 N PHE A 47 -7.354 22.209 -7.605 1.00 0.00 N ATOM 673 CA PHE A 47 -7.288 23.643 -7.321 1.00 0.00 C ATOM 674 C PHE A 47 -5.847 24.156 -7.399 1.00 0.00 C ATOM 675 O PHE A 47 -5.582 25.184 -8.023 1.00 0.00 O ATOM 676 CB PHE A 47 -7.898 23.950 -5.945 1.00 0.00 C ATOM 677 CG PHE A 47 -7.096 23.432 -4.778 1.00 0.00 C ATOM 678 CD1 PHE A 47 -7.037 22.075 -4.503 1.00 0.00 C ATOM 679 CD2 PHE A 47 -6.403 24.310 -3.960 1.00 0.00 C ATOM 680 CE1 PHE A 47 -6.303 21.604 -3.431 1.00 0.00 C ATOM 681 CE2 PHE A 47 -5.666 23.843 -2.887 1.00 0.00 C ATOM 682 CZ PHE A 47 -5.614 22.488 -2.624 1.00 0.00 C ATOM 0 H PHE A 47 -6.583 21.668 -7.214 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.871 24.163 -8.081 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.009 25.030 -5.843 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.899 23.521 -5.901 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.570 21.378 -5.133 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.439 25.370 -4.163 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.268 20.545 -3.224 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.132 24.537 -2.255 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.036 22.121 -1.789 1.00 0.00 H new ATOM 692 N GLY A 48 -4.922 23.430 -6.771 1.00 0.00 N ATOM 693 CA GLY A 48 -3.526 23.827 -6.793 1.00 0.00 C ATOM 694 C GLY A 48 -2.804 23.299 -8.015 1.00 0.00 C ATOM 695 O GLY A 48 -2.341 24.074 -8.854 1.00 0.00 O ATOM 0 H GLY A 48 -5.116 22.576 -6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.458 24.915 -6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.031 23.461 -5.893 1.00 0.00 H new ATOM 699 N ASP A 49 -2.718 21.975 -8.116 1.00 0.00 N ATOM 700 CA ASP A 49 -2.058 21.324 -9.243 1.00 0.00 C ATOM 701 C ASP A 49 -2.196 19.809 -9.150 1.00 0.00 C ATOM 702 O ASP A 49 -2.372 19.257 -8.062 1.00 0.00 O ATOM 703 CB ASP A 49 -0.574 21.700 -9.298 1.00 0.00 C ATOM 704 CG ASP A 49 -0.145 22.169 -10.673 1.00 0.00 C ATOM 705 OD1 ASP A 49 -0.341 23.363 -10.983 1.00 0.00 O ATOM 706 OD2 ASP A 49 0.389 21.342 -11.443 1.00 0.00 O ATOM 0 H ASP A 49 -3.100 21.329 -7.426 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.545 21.670 -10.155 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.375 22.487 -8.571 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.027 20.838 -9.008 1.00 0.00 H new ATOM 711 N ASP A 50 -2.106 19.145 -10.297 1.00 0.00 N ATOM 712 CA ASP A 50 -2.210 17.690 -10.357 1.00 0.00 C ATOM 713 C ASP A 50 -0.937 17.074 -10.941 1.00 0.00 C ATOM 714 O ASP A 50 -0.983 16.028 -11.593 1.00 0.00 O ATOM 715 CB ASP A 50 -3.428 17.280 -11.193 1.00 0.00 C ATOM 716 CG ASP A 50 -4.739 17.460 -10.447 1.00 0.00 C ATOM 717 OD1 ASP A 50 -4.817 17.048 -9.269 1.00 0.00 O ATOM 718 OD2 ASP A 50 -5.690 18.009 -11.044 1.00 0.00 O ATOM 0 H ASP A 50 -1.961 19.593 -11.202 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.335 17.315 -9.341 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.451 17.872 -12.108 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.325 16.237 -11.491 1.00 0.00 H new ATOM 723 N GLY A 51 0.202 17.730 -10.702 1.00 0.00 N ATOM 724 CA GLY A 51 1.472 17.234 -11.206 1.00 0.00 C ATOM 725 C GLY A 51 2.341 16.647 -10.112 1.00 0.00 C ATOM 726 O GLY A 51 2.141 15.502 -9.703 1.00 0.00 O ATOM 0 H GLY A 51 0.265 18.597 -10.168 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.286 16.474 -11.965 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.008 18.048 -11.694 1.00 0.00 H new ATOM 730 N GLU A 52 3.308 17.438 -9.639 1.00 0.00 N ATOM 731 CA GLU A 52 4.223 17.008 -8.582 1.00 0.00 C ATOM 732 C GLU A 52 5.006 15.759 -8.994 1.00 0.00 C ATOM 733 O GLU A 52 4.544 14.633 -8.804 1.00 0.00 O ATOM 734 CB GLU A 52 3.458 16.748 -7.279 1.00 0.00 C ATOM 735 CG GLU A 52 3.608 17.864 -6.259 1.00 0.00 C ATOM 736 CD GLU A 52 2.709 19.047 -6.556 1.00 0.00 C ATOM 737 OE1 GLU A 52 3.063 19.855 -7.442 1.00 0.00 O ATOM 738 OE2 GLU A 52 1.650 19.167 -5.906 1.00 0.00 O ATOM 0 H GLU A 52 3.477 18.386 -9.975 1.00 0.00 H new ATOM 0 HA GLU A 52 4.938 17.814 -8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.401 16.614 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.810 15.814 -6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.378 17.477 -5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.646 18.197 -6.239 1.00 0.00 H new ATOM 745 N LEU A 53 6.199 15.968 -9.552 1.00 0.00 N ATOM 746 CA LEU A 53 7.050 14.861 -9.986 1.00 0.00 C ATOM 747 C LEU A 53 8.069 14.476 -8.904 1.00 0.00 C ATOM 748 O LEU A 53 9.073 13.821 -9.197 1.00 0.00 O ATOM 749 CB LEU A 53 7.782 15.235 -11.285 1.00 0.00 C ATOM 750 CG LEU A 53 7.214 14.611 -12.563 1.00 0.00 C ATOM 751 CD1 LEU A 53 5.878 15.245 -12.923 1.00 0.00 C ATOM 752 CD2 LEU A 53 8.203 14.757 -13.712 1.00 0.00 C ATOM 0 H LEU A 53 6.597 16.893 -9.714 1.00 0.00 H new ATOM 0 HA LEU A 53 6.408 13.999 -10.166 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.765 16.320 -11.392 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.827 14.940 -11.191 1.00 0.00 H new ATOM 0 HG LEU A 53 7.049 13.549 -12.382 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.492 14.787 -13.834 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.170 15.088 -12.110 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.014 16.314 -13.084 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.783 14.308 -14.612 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.399 15.814 -13.891 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.135 14.253 -13.456 1.00 0.00 H new ATOM 764 N TYR A 54 7.814 14.881 -7.655 1.00 0.00 N ATOM 765 CA TYR A 54 8.719 14.570 -6.548 1.00 0.00 C ATOM 766 C TYR A 54 7.950 14.048 -5.336 1.00 0.00 C ATOM 767 O TYR A 54 6.990 14.674 -4.885 1.00 0.00 O ATOM 768 CB TYR A 54 9.525 15.810 -6.146 1.00 0.00 C ATOM 769 CG TYR A 54 10.085 16.592 -7.316 1.00 0.00 C ATOM 770 CD1 TYR A 54 10.915 15.988 -8.252 1.00 0.00 C ATOM 771 CD2 TYR A 54 9.786 17.939 -7.477 1.00 0.00 C ATOM 772 CE1 TYR A 54 11.428 16.703 -9.317 1.00 0.00 C ATOM 773 CE2 TYR A 54 10.294 18.661 -8.539 1.00 0.00 C ATOM 774 CZ TYR A 54 11.115 18.039 -9.455 1.00 0.00 C ATOM 775 OH TYR A 54 11.625 18.756 -10.511 1.00 0.00 O ATOM 0 H TYR A 54 6.992 15.422 -7.388 1.00 0.00 H new ATOM 0 HA TYR A 54 9.401 13.792 -6.891 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.888 16.468 -5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.349 15.501 -5.502 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.163 14.942 -8.145 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.145 18.430 -6.759 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.070 16.218 -10.037 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.049 19.707 -8.651 1.00 0.00 H new ATOM 0 HH TYR A 54 11.307 19.682 -10.462 1.00 0.00 H new ATOM 785 N ASP A 55 8.386 12.905 -4.808 1.00 0.00 N ATOM 786 CA ASP A 55 7.746 12.300 -3.640 1.00 0.00 C ATOM 787 C ASP A 55 8.785 11.736 -2.674 1.00 0.00 C ATOM 788 O ASP A 55 9.850 11.274 -3.090 1.00 0.00 O ATOM 789 CB ASP A 55 6.779 11.193 -4.068 1.00 0.00 C ATOM 790 CG ASP A 55 7.415 10.210 -5.033 1.00 0.00 C ATOM 791 OD1 ASP A 55 8.136 9.304 -4.566 1.00 0.00 O ATOM 792 OD2 ASP A 55 7.196 10.352 -6.253 1.00 0.00 O ATOM 0 H ASP A 55 9.181 12.379 -5.171 1.00 0.00 H new ATOM 0 HA ASP A 55 7.186 13.082 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.431 10.657 -3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.902 11.641 -4.535 1.00 0.00 H new ATOM 797 N HIS A 56 8.470 11.781 -1.379 1.00 0.00 N ATOM 798 CA HIS A 56 9.373 11.281 -0.346 1.00 0.00 C ATOM 799 C HIS A 56 8.600 10.544 0.748 1.00 0.00 C ATOM 800 O HIS A 56 7.709 11.114 1.380 1.00 0.00 O ATOM 801 CB HIS A 56 10.165 12.439 0.263 1.00 0.00 C ATOM 802 CG HIS A 56 11.378 12.808 -0.530 1.00 0.00 C ATOM 803 ND1 HIS A 56 11.463 13.959 -1.287 1.00 0.00 N ATOM 804 CD2 HIS A 56 12.565 12.174 -0.681 1.00 0.00 C ATOM 805 CE1 HIS A 56 12.649 14.016 -1.867 1.00 0.00 C ATOM 806 NE2 HIS A 56 13.336 12.945 -1.515 1.00 0.00 N ATOM 0 H HIS A 56 7.593 12.160 -1.021 1.00 0.00 H new ATOM 0 HA HIS A 56 10.064 10.577 -0.809 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.515 13.310 0.346 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.469 12.170 1.275 1.00 0.00 H new ATOM 0 HD2 HIS A 56 12.852 11.236 -0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 56 12.997 14.804 -2.518 1.00 0.00 H new ATOM 0 HE2 HIS A 56 14.286 12.726 -1.814 1.00 0.00 H new ATOM 815 N ILE A 57 8.946 9.272 0.963 1.00 0.00 N ATOM 816 CA ILE A 57 8.285 8.457 1.978 1.00 0.00 C ATOM 817 C ILE A 57 8.975 7.101 2.123 1.00 0.00 C ATOM 818 O ILE A 57 9.467 6.536 1.144 1.00 0.00 O ATOM 819 CB ILE A 57 6.792 8.235 1.639 1.00 0.00 C ATOM 820 CG1 ILE A 57 6.102 7.422 2.741 1.00 0.00 C ATOM 821 CG2 ILE A 57 6.645 7.542 0.292 1.00 0.00 C ATOM 822 CD1 ILE A 57 4.691 7.881 3.038 1.00 0.00 C ATOM 0 H ILE A 57 9.680 8.787 0.447 1.00 0.00 H new ATOM 0 HA ILE A 57 8.355 9.000 2.920 1.00 0.00 H new ATOM 0 HB ILE A 57 6.308 9.210 1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.080 6.373 2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.695 7.485 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.588 7.395 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.095 8.159 -0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.147 6.575 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.265 7.261 3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.708 8.921 3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.082 7.792 2.138 1.00 0.00 H new ATOM 834 N ASN A 58 9.005 6.583 3.347 1.00 0.00 N ATOM 835 CA ASN A 58 9.632 5.296 3.619 1.00 0.00 C ATOM 836 C ASN A 58 8.582 4.181 3.653 1.00 0.00 C ATOM 837 O ASN A 58 7.380 4.450 3.669 1.00 0.00 O ATOM 838 CB ASN A 58 10.397 5.345 4.945 1.00 0.00 C ATOM 839 CG ASN A 58 11.870 5.663 4.757 1.00 0.00 C ATOM 840 OD1 ASN A 58 12.739 4.888 5.155 1.00 0.00 O ATOM 841 ND2 ASN A 58 12.161 6.811 4.152 1.00 0.00 N ATOM 0 H ASN A 58 8.601 7.036 4.167 1.00 0.00 H new ATOM 0 HA ASN A 58 10.337 5.082 2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.946 6.097 5.593 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.298 4.386 5.453 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.135 7.077 4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.411 7.426 3.837 1.00 0.00 H new ATOM 848 N VAL A 59 9.044 2.931 3.654 1.00 0.00 N ATOM 849 CA VAL A 59 8.144 1.781 3.676 1.00 0.00 C ATOM 850 C VAL A 59 8.662 0.680 4.602 1.00 0.00 C ATOM 851 O VAL A 59 9.866 0.427 4.665 1.00 0.00 O ATOM 852 CB VAL A 59 7.940 1.205 2.258 1.00 0.00 C ATOM 853 CG1 VAL A 59 9.260 0.720 1.674 1.00 0.00 C ATOM 854 CG2 VAL A 59 6.912 0.081 2.272 1.00 0.00 C ATOM 0 H VAL A 59 10.035 2.690 3.640 1.00 0.00 H new ATOM 0 HA VAL A 59 7.187 2.137 4.057 1.00 0.00 H new ATOM 0 HB VAL A 59 7.561 2.004 1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.090 0.319 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.960 1.553 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.676 -0.060 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.785 -0.309 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.256 -0.718 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.958 0.465 2.635 1.00 0.00 H new ATOM 864 N LEU A 60 7.743 0.025 5.312 1.00 0.00 N ATOM 865 CA LEU A 60 8.109 -1.051 6.224 1.00 0.00 C ATOM 866 C LEU A 60 7.993 -2.405 5.531 1.00 0.00 C ATOM 867 O LEU A 60 6.911 -2.799 5.102 1.00 0.00 O ATOM 868 CB LEU A 60 7.218 -1.025 7.470 1.00 0.00 C ATOM 869 CG LEU A 60 7.900 -1.464 8.771 1.00 0.00 C ATOM 870 CD1 LEU A 60 8.483 -2.865 8.634 1.00 0.00 C ATOM 871 CD2 LEU A 60 8.983 -0.469 9.168 1.00 0.00 C ATOM 0 H LEU A 60 6.743 0.222 5.271 1.00 0.00 H new ATOM 0 HA LEU A 60 9.145 -0.900 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.836 -0.013 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.357 -1.670 7.295 1.00 0.00 H new ATOM 0 HG LEU A 60 7.147 -1.487 9.558 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.961 -3.153 9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.685 -3.570 8.402 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.221 -2.875 7.832 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.456 -0.797 10.094 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.732 -0.412 8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.537 0.514 9.317 1.00 0.00 H new ATOM 883 N ARG A 61 9.117 -3.110 5.426 1.00 0.00 N ATOM 884 CA ARG A 61 9.142 -4.422 4.786 1.00 0.00 C ATOM 885 C ARG A 61 9.768 -5.463 5.712 1.00 0.00 C ATOM 886 O ARG A 61 10.687 -5.157 6.471 1.00 0.00 O ATOM 887 CB ARG A 61 9.923 -4.358 3.470 1.00 0.00 C ATOM 888 CG ARG A 61 9.111 -3.816 2.304 1.00 0.00 C ATOM 889 CD ARG A 61 9.907 -3.837 1.008 1.00 0.00 C ATOM 890 NE ARG A 61 10.594 -2.569 0.762 1.00 0.00 N ATOM 891 CZ ARG A 61 11.276 -2.293 -0.353 1.00 0.00 C ATOM 892 NH1 ARG A 61 11.385 -3.202 -1.318 1.00 0.00 N ATOM 893 NH2 ARG A 61 11.854 -1.108 -0.500 1.00 0.00 N ATOM 0 H ARG A 61 10.022 -2.795 5.776 1.00 0.00 H new ATOM 0 HA ARG A 61 8.114 -4.717 4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.804 -3.731 3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.279 -5.357 3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.205 -4.410 2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.797 -2.795 2.522 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.639 -4.644 1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.237 -4.053 0.176 1.00 0.00 H new ATOM 0 HE ARG A 61 10.550 -1.852 1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.946 -4.116 -1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.907 -2.985 -2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.778 -0.408 0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.375 -0.897 -1.351 1.00 0.00 H new ATOM 907 N ASN A 62 9.268 -6.696 5.636 1.00 0.00 N ATOM 908 CA ASN A 62 9.781 -7.790 6.464 1.00 0.00 C ATOM 909 C ASN A 62 11.209 -8.188 6.066 1.00 0.00 C ATOM 910 O ASN A 62 11.865 -8.951 6.778 1.00 0.00 O ATOM 911 CB ASN A 62 8.856 -9.009 6.366 1.00 0.00 C ATOM 912 CG ASN A 62 8.662 -9.696 7.704 1.00 0.00 C ATOM 913 OD1 ASN A 62 9.091 -10.833 7.898 1.00 0.00 O ATOM 914 ND2 ASN A 62 8.014 -9.009 8.639 1.00 0.00 N ATOM 0 H ASN A 62 8.508 -6.964 5.010 1.00 0.00 H new ATOM 0 HA ASN A 62 9.808 -7.434 7.494 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.887 -8.696 5.977 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.271 -9.720 5.652 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.856 -9.422 9.558 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.674 -8.069 8.437 1.00 0.00 H new ATOM 921 N GLY A 63 11.687 -7.669 4.930 1.00 0.00 N ATOM 922 CA GLY A 63 13.028 -7.989 4.466 1.00 0.00 C ATOM 923 C GLY A 63 13.032 -8.832 3.198 1.00 0.00 C ATOM 924 O GLY A 63 14.002 -9.539 2.922 1.00 0.00 O ATOM 0 H GLY A 63 11.167 -7.033 4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 63 13.574 -7.064 4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.561 -8.523 5.253 1.00 0.00 H new ATOM 928 N GLU A 64 11.943 -8.761 2.429 1.00 0.00 N ATOM 929 CA GLU A 64 11.817 -9.520 1.188 1.00 0.00 C ATOM 930 C GLU A 64 11.654 -8.584 -0.008 1.00 0.00 C ATOM 931 O GLU A 64 11.386 -7.392 0.159 1.00 0.00 O ATOM 932 CB GLU A 64 10.622 -10.472 1.275 1.00 0.00 C ATOM 933 CG GLU A 64 10.833 -11.792 0.545 1.00 0.00 C ATOM 934 CD GLU A 64 9.906 -12.889 1.037 1.00 0.00 C ATOM 935 OE1 GLU A 64 8.688 -12.630 1.157 1.00 0.00 O ATOM 936 OE2 GLU A 64 10.395 -14.006 1.299 1.00 0.00 O ATOM 0 H GLU A 64 11.133 -8.181 2.648 1.00 0.00 H new ATOM 0 HA GLU A 64 12.729 -10.101 1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.409 -10.678 2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.743 -9.976 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.676 -11.641 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.867 -12.112 0.673 1.00 0.00 H new ATOM 943 N ALA A 65 11.816 -9.129 -1.212 1.00 0.00 N ATOM 944 CA ALA A 65 11.687 -8.346 -2.435 1.00 0.00 C ATOM 945 C ALA A 65 10.241 -7.903 -2.649 1.00 0.00 C ATOM 946 O ALA A 65 9.324 -8.726 -2.654 1.00 0.00 O ATOM 947 CB ALA A 65 12.185 -9.143 -3.632 1.00 0.00 C ATOM 0 H ALA A 65 12.037 -10.113 -1.365 1.00 0.00 H new ATOM 0 HA ALA A 65 12.303 -7.452 -2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.082 -8.544 -4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.234 -9.402 -3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.597 -10.055 -3.732 1.00 0.00 H new ATOM 953 N ALA A 66 10.048 -6.597 -2.820 1.00 0.00 N ATOM 954 CA ALA A 66 8.714 -6.035 -3.031 1.00 0.00 C ATOM 955 C ALA A 66 8.048 -6.639 -4.266 1.00 0.00 C ATOM 956 O ALA A 66 8.644 -6.691 -5.342 1.00 0.00 O ATOM 957 CB ALA A 66 8.788 -4.520 -3.163 1.00 0.00 C ATOM 0 H ALA A 66 10.799 -5.907 -2.817 1.00 0.00 H new ATOM 0 HA ALA A 66 8.106 -6.285 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.787 -4.119 -3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.211 -4.096 -2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.420 -4.259 -4.012 1.00 0.00 H new ATOM 963 N ALA A 67 6.808 -7.092 -4.098 1.00 0.00 N ATOM 964 CA ALA A 67 6.054 -7.692 -5.194 1.00 0.00 C ATOM 965 C ALA A 67 5.102 -6.680 -5.824 1.00 0.00 C ATOM 966 O ALA A 67 4.400 -5.955 -5.120 1.00 0.00 O ATOM 967 CB ALA A 67 5.284 -8.904 -4.695 1.00 0.00 C ATOM 0 H ALA A 67 6.304 -7.055 -3.212 1.00 0.00 H new ATOM 0 HA ALA A 67 6.760 -8.011 -5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.725 -9.345 -5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.982 -9.640 -4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.592 -8.598 -3.910 1.00 0.00 H new ATOM 973 N LEU A 68 5.080 -6.638 -7.155 1.00 0.00 N ATOM 974 CA LEU A 68 4.207 -5.715 -7.879 1.00 0.00 C ATOM 975 C LEU A 68 3.385 -6.456 -8.934 1.00 0.00 C ATOM 976 O LEU A 68 2.156 -6.511 -8.847 1.00 0.00 O ATOM 977 CB LEU A 68 5.029 -4.605 -8.537 1.00 0.00 C ATOM 978 CG LEU A 68 4.531 -3.181 -8.272 1.00 0.00 C ATOM 979 CD1 LEU A 68 5.702 -2.226 -8.091 1.00 0.00 C ATOM 980 CD2 LEU A 68 3.628 -2.710 -9.404 1.00 0.00 C ATOM 0 H LEU A 68 5.655 -7.231 -7.753 1.00 0.00 H new ATOM 0 HA LEU A 68 3.521 -5.266 -7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.059 -4.683 -8.190 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.042 -4.774 -9.614 1.00 0.00 H new ATOM 0 HG LEU A 68 3.951 -3.189 -7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.326 -1.220 -7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.308 -2.550 -7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.312 -2.223 -8.994 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.284 -1.696 -9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.184 -2.721 -10.341 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.768 -3.375 -9.484 1.00 0.00 H new ATOM 992 N GLY A 69 4.068 -7.027 -9.925 1.00 0.00 N ATOM 993 CA GLY A 69 3.382 -7.758 -10.979 1.00 0.00 C ATOM 994 C GLY A 69 3.230 -9.236 -10.668 1.00 0.00 C ATOM 995 O GLY A 69 3.453 -10.081 -11.536 1.00 0.00 O ATOM 0 H GLY A 69 5.083 -6.996 -10.017 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.396 -7.321 -11.135 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.933 -7.643 -11.912 1.00 0.00 H new ATOM 999 N GLU A 70 2.849 -9.551 -9.427 1.00 0.00 N ATOM 1000 CA GLU A 70 2.672 -10.938 -9.011 1.00 0.00 C ATOM 1001 C GLU A 70 1.901 -11.027 -7.693 1.00 0.00 C ATOM 1002 O GLU A 70 2.490 -10.951 -6.613 1.00 0.00 O ATOM 1003 CB GLU A 70 4.032 -11.624 -8.869 1.00 0.00 C ATOM 1004 CG GLU A 70 4.084 -13.013 -9.483 1.00 0.00 C ATOM 1005 CD GLU A 70 5.497 -13.552 -9.577 1.00 0.00 C ATOM 1006 OE1 GLU A 70 6.363 -12.857 -10.149 1.00 0.00 O ATOM 1007 OE2 GLU A 70 5.740 -14.671 -9.076 1.00 0.00 O ATOM 0 H GLU A 70 2.659 -8.864 -8.697 1.00 0.00 H new ATOM 0 HA GLU A 70 2.091 -11.448 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.794 -11.001 -9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.284 -11.695 -7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.478 -13.694 -8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.643 -12.983 -10.479 1.00 0.00 H new ATOM 1014 N ALA A 71 0.582 -11.200 -7.789 1.00 0.00 N ATOM 1015 CA ALA A 71 -0.267 -11.311 -6.603 1.00 0.00 C ATOM 1016 C ALA A 71 -0.060 -12.646 -5.877 1.00 0.00 C ATOM 1017 O ALA A 71 -0.552 -12.831 -4.762 1.00 0.00 O ATOM 1018 CB ALA A 71 -1.731 -11.142 -6.986 1.00 0.00 C ATOM 0 H ALA A 71 0.080 -11.266 -8.674 1.00 0.00 H new ATOM 0 HA ALA A 71 0.020 -10.514 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.352 -11.227 -6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.878 -10.161 -7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.012 -11.917 -7.699 1.00 0.00 H new ATOM 1024 N THR A 72 0.667 -13.573 -6.508 1.00 0.00 N ATOM 1025 CA THR A 72 0.929 -14.883 -5.914 1.00 0.00 C ATOM 1026 C THR A 72 2.252 -14.892 -5.140 1.00 0.00 C ATOM 1027 O THR A 72 2.968 -15.894 -5.128 1.00 0.00 O ATOM 1028 CB THR A 72 0.953 -15.959 -7.007 1.00 0.00 C ATOM 1029 OG1 THR A 72 1.467 -15.435 -8.219 1.00 0.00 O ATOM 1030 CG2 THR A 72 -0.413 -16.543 -7.300 1.00 0.00 C ATOM 0 H THR A 72 1.083 -13.439 -7.429 1.00 0.00 H new ATOM 0 HA THR A 72 0.126 -15.100 -5.209 1.00 0.00 H new ATOM 0 HB THR A 72 1.594 -16.751 -6.619 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.475 -16.138 -8.902 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.326 -17.298 -8.082 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.814 -17.001 -6.396 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.083 -15.751 -7.633 1.00 0.00 H new ATOM 1038 N ALA A 73 2.568 -13.771 -4.490 1.00 0.00 N ATOM 1039 CA ALA A 73 3.799 -13.652 -3.713 1.00 0.00 C ATOM 1040 C ALA A 73 3.544 -13.894 -2.230 1.00 0.00 C ATOM 1041 O ALA A 73 2.398 -13.887 -1.776 1.00 0.00 O ATOM 1042 CB ALA A 73 4.417 -12.277 -3.928 1.00 0.00 C ATOM 0 H ALA A 73 1.987 -12.933 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 73 4.496 -14.416 -4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.335 -12.195 -3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.645 -12.142 -4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.714 -11.508 -3.607 1.00 0.00 H new ATOM 1048 N ALA A 74 4.624 -14.103 -1.473 1.00 0.00 N ATOM 1049 CA ALA A 74 4.524 -14.340 -0.036 1.00 0.00 C ATOM 1050 C ALA A 74 4.000 -13.104 0.691 1.00 0.00 C ATOM 1051 O ALA A 74 3.258 -13.217 1.668 1.00 0.00 O ATOM 1052 CB ALA A 74 5.875 -14.755 0.534 1.00 0.00 C ATOM 0 H ALA A 74 5.578 -14.112 -1.835 1.00 0.00 H new ATOM 0 HA ALA A 74 3.814 -15.152 0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.780 -14.927 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.209 -15.671 0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.603 -13.964 0.357 1.00 0.00 H new ATOM 1058 N GLY A 75 4.386 -11.923 0.206 1.00 0.00 N ATOM 1059 CA GLY A 75 3.942 -10.685 0.821 1.00 0.00 C ATOM 1060 C GLY A 75 4.497 -9.457 0.123 1.00 0.00 C ATOM 1061 O GLY A 75 5.205 -9.573 -0.880 1.00 0.00 O ATOM 0 H GLY A 75 4.998 -11.804 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.853 -10.646 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.247 -10.673 1.867 1.00 0.00 H new ATOM 1065 N ASP A 76 4.179 -8.278 0.658 1.00 0.00 N ATOM 1066 CA ASP A 76 4.655 -7.022 0.085 1.00 0.00 C ATOM 1067 C ASP A 76 5.370 -6.186 1.139 1.00 0.00 C ATOM 1068 O ASP A 76 6.598 -6.091 1.142 1.00 0.00 O ATOM 1069 CB ASP A 76 3.489 -6.228 -0.515 1.00 0.00 C ATOM 1070 CG ASP A 76 3.755 -5.773 -1.940 1.00 0.00 C ATOM 1071 OD1 ASP A 76 4.937 -5.561 -2.293 1.00 0.00 O ATOM 1072 OD2 ASP A 76 2.777 -5.625 -2.700 1.00 0.00 O ATOM 0 H ASP A 76 3.594 -8.168 1.487 1.00 0.00 H new ATOM 0 HA ASP A 76 5.363 -7.259 -0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.590 -6.844 -0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.291 -5.356 0.108 1.00 0.00 H new ATOM 1077 N GLU A 77 4.592 -5.582 2.032 1.00 0.00 N ATOM 1078 CA GLU A 77 5.142 -4.753 3.093 1.00 0.00 C ATOM 1079 C GLU A 77 4.259 -4.825 4.336 1.00 0.00 C ATOM 1080 O GLU A 77 3.258 -5.545 4.358 1.00 0.00 O ATOM 1081 CB GLU A 77 5.260 -3.299 2.615 1.00 0.00 C ATOM 1082 CG GLU A 77 4.025 -2.804 1.879 1.00 0.00 C ATOM 1083 CD GLU A 77 4.299 -1.603 0.996 1.00 0.00 C ATOM 1084 OE1 GLU A 77 5.118 -1.726 0.059 1.00 0.00 O ATOM 1085 OE2 GLU A 77 3.694 -0.539 1.240 1.00 0.00 O ATOM 0 H GLU A 77 3.575 -5.653 2.039 1.00 0.00 H new ATOM 0 HA GLU A 77 6.134 -5.125 3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.444 -2.655 3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.126 -3.209 1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.625 -3.613 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.256 -2.544 2.606 1.00 0.00 H new ATOM 1092 N LEU A 78 4.630 -4.070 5.361 1.00 0.00 N ATOM 1093 CA LEU A 78 3.871 -4.033 6.603 1.00 0.00 C ATOM 1094 C LEU A 78 3.127 -2.703 6.732 1.00 0.00 C ATOM 1095 O LEU A 78 2.036 -2.647 7.301 1.00 0.00 O ATOM 1096 CB LEU A 78 4.800 -4.231 7.803 1.00 0.00 C ATOM 1097 CG LEU A 78 4.937 -5.676 8.297 1.00 0.00 C ATOM 1098 CD1 LEU A 78 3.613 -6.181 8.852 1.00 0.00 C ATOM 1099 CD2 LEU A 78 5.429 -6.585 7.179 1.00 0.00 C ATOM 0 H LEU A 78 5.456 -3.472 5.356 1.00 0.00 H new ATOM 0 HA LEU A 78 3.143 -4.844 6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.790 -3.860 7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.438 -3.616 8.627 1.00 0.00 H new ATOM 0 HG LEU A 78 5.675 -5.692 9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.731 -7.208 9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.304 -5.551 9.686 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.854 -6.146 8.071 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.519 -7.605 7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.719 -6.562 6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.402 -6.239 6.831 1.00 0.00 H new ATOM 1111 N ALA A 79 3.729 -1.633 6.201 1.00 0.00 N ATOM 1112 CA ALA A 79 3.136 -0.300 6.253 1.00 0.00 C ATOM 1113 C ALA A 79 3.869 0.665 5.317 1.00 0.00 C ATOM 1114 O ALA A 79 4.936 0.343 4.791 1.00 0.00 O ATOM 1115 CB ALA A 79 3.168 0.230 7.679 1.00 0.00 C ATOM 0 H ALA A 79 4.632 -1.669 5.728 1.00 0.00 H new ATOM 0 HA ALA A 79 2.100 -0.375 5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.723 1.225 7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.603 -0.439 8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.201 0.284 8.024 1.00 0.00 H new ATOM 1121 N LEU A 80 3.291 1.850 5.120 1.00 0.00 N ATOM 1122 CA LEU A 80 3.883 2.872 4.255 1.00 0.00 C ATOM 1123 C LEU A 80 3.753 4.257 4.893 1.00 0.00 C ATOM 1124 O LEU A 80 2.704 4.898 4.800 1.00 0.00 O ATOM 1125 CB LEU A 80 3.206 2.858 2.878 1.00 0.00 C ATOM 1126 CG LEU A 80 4.137 2.593 1.692 1.00 0.00 C ATOM 1127 CD1 LEU A 80 3.328 2.382 0.420 1.00 0.00 C ATOM 1128 CD2 LEU A 80 5.122 3.740 1.518 1.00 0.00 C ATOM 0 H LEU A 80 2.409 2.127 5.550 1.00 0.00 H new ATOM 0 HA LEU A 80 4.942 2.647 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.426 2.097 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.713 3.818 2.724 1.00 0.00 H new ATOM 0 HG LEU A 80 4.705 1.685 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.004 2.195 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.665 1.527 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.735 3.273 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.775 3.533 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.575 4.665 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.723 3.844 2.422 1.00 0.00 H new ATOM 1140 N PHE A 81 4.820 4.710 5.551 1.00 0.00 N ATOM 1141 CA PHE A 81 4.816 6.014 6.215 1.00 0.00 C ATOM 1142 C PHE A 81 6.155 6.737 6.028 1.00 0.00 C ATOM 1143 O PHE A 81 7.189 6.099 5.838 1.00 0.00 O ATOM 1144 CB PHE A 81 4.503 5.848 7.709 1.00 0.00 C ATOM 1145 CG PHE A 81 5.544 5.071 8.475 1.00 0.00 C ATOM 1146 CD1 PHE A 81 5.747 3.721 8.228 1.00 0.00 C ATOM 1147 CD2 PHE A 81 6.317 5.694 9.440 1.00 0.00 C ATOM 1148 CE1 PHE A 81 6.703 3.011 8.929 1.00 0.00 C ATOM 1149 CE2 PHE A 81 7.273 4.988 10.144 1.00 0.00 C ATOM 1150 CZ PHE A 81 7.467 3.646 9.889 1.00 0.00 C ATOM 0 H PHE A 81 5.696 4.195 5.639 1.00 0.00 H new ATOM 0 HA PHE A 81 4.038 6.624 5.756 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.398 6.835 8.159 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.541 5.346 7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.151 3.219 7.480 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.171 6.744 9.645 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.853 1.961 8.727 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.869 5.487 10.894 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.214 3.093 10.439 1.00 0.00 H new ATOM 1160 N PRO A 82 6.146 8.084 6.081 1.00 0.00 N ATOM 1161 CA PRO A 82 7.363 8.892 5.916 1.00 0.00 C ATOM 1162 C PRO A 82 8.402 8.605 7.001 1.00 0.00 C ATOM 1163 O PRO A 82 8.062 8.146 8.091 1.00 0.00 O ATOM 1164 CB PRO A 82 6.862 10.338 6.019 1.00 0.00 C ATOM 1165 CG PRO A 82 5.546 10.247 6.711 1.00 0.00 C ATOM 1166 CD PRO A 82 4.957 8.925 6.305 1.00 0.00 C ATOM 0 HA PRO A 82 7.867 8.674 4.974 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.561 10.958 6.581 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.758 10.790 5.033 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.669 10.304 7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.894 11.071 6.420 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.314 8.514 7.083 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.350 9.014 5.404 1.00 0.00 H new ATOM 1174 N PRO A 83 9.689 8.877 6.712 1.00 0.00 N ATOM 1175 CA PRO A 83 10.780 8.648 7.665 1.00 0.00 C ATOM 1176 C PRO A 83 10.719 9.600 8.862 1.00 0.00 C ATOM 1177 O PRO A 83 10.948 9.189 9.999 1.00 0.00 O ATOM 1178 CB PRO A 83 12.044 8.903 6.838 1.00 0.00 C ATOM 1179 CG PRO A 83 11.605 9.797 5.730 1.00 0.00 C ATOM 1180 CD PRO A 83 10.177 9.429 5.433 1.00 0.00 C ATOM 0 HA PRO A 83 10.736 7.648 8.097 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.822 9.373 7.440 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.459 7.971 6.453 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.684 10.845 6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.233 9.662 4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 83 9.595 10.297 5.123 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.110 8.697 4.629 1.00 0.00 H new ATOM 1188 N VAL A 84 10.407 10.870 8.597 1.00 0.00 N ATOM 1189 CA VAL A 84 10.313 11.875 9.653 1.00 0.00 C ATOM 1190 C VAL A 84 8.854 12.143 10.016 1.00 0.00 C ATOM 1191 O VAL A 84 8.050 12.511 9.158 1.00 0.00 O ATOM 1192 CB VAL A 84 10.986 13.201 9.236 1.00 0.00 C ATOM 1193 CG1 VAL A 84 11.059 14.163 10.414 1.00 0.00 C ATOM 1194 CG2 VAL A 84 12.376 12.939 8.667 1.00 0.00 C ATOM 0 H VAL A 84 10.216 11.225 7.660 1.00 0.00 H new ATOM 0 HA VAL A 84 10.837 11.477 10.522 1.00 0.00 H new ATOM 0 HB VAL A 84 10.378 13.663 8.458 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.537 15.090 10.097 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.052 14.377 10.772 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.641 13.711 11.217 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.835 13.885 8.378 1.00 0.00 H new ATOM 0 HG22 VAL A 84 12.992 12.452 9.422 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.295 12.293 7.793 1.00 0.00 H new ATOM 1204 N SER A 85 8.517 11.952 11.292 1.00 0.00 N ATOM 1205 CA SER A 85 7.151 12.174 11.767 1.00 0.00 C ATOM 1206 C SER A 85 6.814 13.662 11.796 1.00 0.00 C ATOM 1207 O SER A 85 7.703 14.508 11.899 1.00 0.00 O ATOM 1208 CB SER A 85 6.962 11.568 13.161 1.00 0.00 C ATOM 1209 OG SER A 85 7.754 10.404 13.329 1.00 0.00 O ATOM 0 H SER A 85 9.169 11.645 12.013 1.00 0.00 H new ATOM 0 HA SER A 85 6.472 11.681 11.071 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.229 12.304 13.919 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.911 11.321 13.313 1.00 0.00 H new ATOM 0 HG SER A 85 7.614 10.040 14.228 1.00 0.00 H new ATOM 1215 N GLY A 86 5.521 13.974 11.707 1.00 0.00 N ATOM 1216 CA GLY A 86 5.083 15.359 11.725 1.00 0.00 C ATOM 1217 C GLY A 86 3.733 15.539 12.395 1.00 0.00 C ATOM 1218 O GLY A 86 2.739 15.826 11.725 1.00 0.00 O ATOM 0 H GLY A 86 4.769 13.290 11.623 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.826 15.964 12.246 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.029 15.732 10.702 1.00 0.00 H new ATOM 1222 N GLY A 87 3.700 15.373 13.717 1.00 0.00 N ATOM 1223 CA GLY A 87 2.458 15.526 14.463 1.00 0.00 C ATOM 1224 C GLY A 87 2.657 16.240 15.792 1.00 0.00 C ATOM 1225 O GLY A 87 3.752 16.803 16.012 1.00 0.00 O ATOM 0 H GLY A 87 4.512 15.135 14.286 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.742 16.084 13.859 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.024 14.543 14.645 1.00 0.00 H new TER 1229 GLY A 87