USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 451 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0361 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= -0.0199 (180deg=-0.0199) USER MOD Single : A 10 ASN : amide:sc= -0.548 K(o=-0.55,f=-2.1!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -5.53! C(o=-5.5!,f=-9.4!) USER MOD Single : A 20 GLN : amide:sc= -2.76 X(o=-2.8,f=-3.2!) USER MOD Single : A 29 HIS : no HD1:sc= -1.85 K(o=-1.9,f=-0.88) USER MOD Single : A 31 THR OG1 : rot -33:sc= 0.842 USER MOD Single : A 42 ASN : amide:sc= -0.632 K(o=-0.63,f=-2.2) USER MOD Single : A 46 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.52) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= -0.0705 (180deg=-0.388) USER MOD Single : A 61 GLN : amide:sc= -2.25 K(o=-2.2,f=-4.4!) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.016) USER MOD Single : A 64 LYS NZ :NH3+ 157:sc= -1.74 (180deg=-2.94!) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.456 -2.200 -2.196 1.00 15.15 N ATOM 19 CA LYS A 2 3.197 -3.442 -2.377 1.00 74.42 C ATOM 20 C LYS A 2 3.813 -3.509 -3.771 1.00 25.24 C ATOM 21 O LYS A 2 3.202 -3.088 -4.753 1.00 32.13 O ATOM 22 CB LYS A 2 2.277 -4.646 -2.157 1.00 0.43 C ATOM 23 CG LYS A 2 1.525 -4.603 -0.838 1.00 10.22 C ATOM 24 CD LYS A 2 2.474 -4.475 0.342 1.00 44.44 C ATOM 25 CE LYS A 2 1.803 -4.882 1.644 1.00 23.33 C ATOM 26 NZ LYS A 2 0.848 -3.846 2.124 1.00 11.41 N ATOM 0 HA LYS A 2 4.001 -3.467 -1.641 1.00 74.42 H new ATOM 0 HB2 LYS A 2 1.558 -4.697 -2.974 1.00 0.43 H new ATOM 0 HB3 LYS A 2 2.871 -5.559 -2.197 1.00 0.43 H new ATOM 0 HG2 LYS A 2 0.831 -3.762 -0.841 1.00 10.22 H new ATOM 0 HG3 LYS A 2 0.928 -5.508 -0.729 1.00 10.22 H new ATOM 0 HD2 LYS A 2 3.352 -5.099 0.173 1.00 44.44 H new ATOM 0 HD3 LYS A 2 2.824 -3.446 0.418 1.00 44.44 H new ATOM 0 HE2 LYS A 2 1.274 -5.824 1.501 1.00 23.33 H new ATOM 0 HE3 LYS A 2 2.563 -5.055 2.405 1.00 23.33 H new ATOM 0 HZ1 LYS A 2 0.412 -4.162 3.014 1.00 11.41 H new ATOM 0 HZ2 LYS A 2 1.356 -2.953 2.285 1.00 11.41 H new ATOM 0 HZ3 LYS A 2 0.108 -3.698 1.409 1.00 11.41 H new ATOM 40 N LYS A 3 5.028 -4.042 -3.850 1.00 70.20 N ATOM 41 CA LYS A 3 5.727 -4.167 -5.123 1.00 64.43 C ATOM 42 C LYS A 3 5.925 -5.634 -5.494 1.00 13.22 C ATOM 43 O LYS A 3 6.327 -6.446 -4.662 1.00 14.35 O ATOM 44 CB LYS A 3 7.083 -3.461 -5.056 1.00 0.44 C ATOM 45 CG LYS A 3 7.014 -2.070 -4.449 1.00 3.21 C ATOM 46 CD LYS A 3 8.401 -1.499 -4.204 1.00 20.24 C ATOM 47 CE LYS A 3 8.838 -1.697 -2.760 1.00 53.11 C ATOM 48 NZ LYS A 3 10.037 -0.879 -2.426 1.00 74.03 N ATOM 0 H LYS A 3 5.549 -4.394 -3.047 1.00 70.20 H new ATOM 0 HA LYS A 3 5.115 -3.695 -5.892 1.00 64.43 H new ATOM 0 HB2 LYS A 3 7.772 -4.070 -4.471 1.00 0.44 H new ATOM 0 HB3 LYS A 3 7.496 -3.389 -6.062 1.00 0.44 H new ATOM 0 HG2 LYS A 3 6.460 -1.409 -5.115 1.00 3.21 H new ATOM 0 HG3 LYS A 3 6.464 -2.109 -3.509 1.00 3.21 H new ATOM 0 HD2 LYS A 3 9.117 -1.980 -4.871 1.00 20.24 H new ATOM 0 HD3 LYS A 3 8.406 -0.436 -4.444 1.00 20.24 H new ATOM 0 HE2 LYS A 3 8.019 -1.430 -2.093 1.00 53.11 H new ATOM 0 HE3 LYS A 3 9.058 -2.751 -2.588 1.00 53.11 H new ATOM 0 HZ1 LYS A 3 10.303 -1.042 -1.434 1.00 74.03 H new ATOM 0 HZ2 LYS A 3 10.827 -1.151 -3.045 1.00 74.03 H new ATOM 0 HZ3 LYS A 3 9.820 0.128 -2.565 1.00 74.03 H new ATOM 62 N GLY A 4 5.640 -5.966 -6.750 1.00 3.14 N ATOM 63 CA GLY A 4 5.794 -7.334 -7.208 1.00 62.11 C ATOM 64 C GLY A 4 5.732 -7.450 -8.718 1.00 73.12 C ATOM 65 O GLY A 4 5.413 -6.483 -9.411 1.00 5.33 O ATOM 0 H GLY A 4 5.305 -5.312 -7.458 1.00 3.14 H new ATOM 0 HA2 GLY A 4 6.748 -7.727 -6.855 1.00 62.11 H new ATOM 0 HA3 GLY A 4 5.012 -7.952 -6.767 1.00 62.11 H new ATOM 69 N THR A 5 6.038 -8.637 -9.232 1.00 73.33 N ATOM 70 CA THR A 5 6.018 -8.876 -10.670 1.00 13.21 C ATOM 71 C THR A 5 4.596 -9.105 -11.170 1.00 12.15 C ATOM 72 O THR A 5 3.708 -9.471 -10.400 1.00 31.35 O ATOM 73 CB THR A 5 6.885 -10.091 -11.050 1.00 42.50 C ATOM 74 OG1 THR A 5 6.751 -11.117 -10.061 1.00 32.21 O ATOM 75 CG2 THR A 5 8.348 -9.692 -11.179 1.00 54.00 C ATOM 0 H THR A 5 6.303 -9.448 -8.674 1.00 73.33 H new ATOM 0 HA THR A 5 6.428 -7.984 -11.144 1.00 13.21 H new ATOM 0 HB THR A 5 6.541 -10.468 -12.013 1.00 42.50 H new ATOM 0 HG1 THR A 5 7.304 -11.887 -10.311 1.00 32.21 H new ATOM 0 HG21 THR A 5 8.941 -10.566 -11.448 1.00 54.00 H new ATOM 0 HG22 THR A 5 8.451 -8.932 -11.953 1.00 54.00 H new ATOM 0 HG23 THR A 5 8.701 -9.292 -10.228 1.00 54.00 H new ATOM 83 N VAL A 6 4.386 -8.887 -12.464 1.00 61.41 N ATOM 84 CA VAL A 6 3.072 -9.072 -13.067 1.00 74.21 C ATOM 85 C VAL A 6 2.992 -10.398 -13.815 1.00 74.13 C ATOM 86 O VAL A 6 3.905 -10.762 -14.557 1.00 10.25 O ATOM 87 CB VAL A 6 2.734 -7.926 -14.039 1.00 13.22 C ATOM 88 CG1 VAL A 6 3.609 -8.003 -15.281 1.00 14.13 C ATOM 89 CG2 VAL A 6 1.259 -7.961 -14.412 1.00 65.40 C ATOM 0 H VAL A 6 5.109 -8.582 -13.115 1.00 61.41 H new ATOM 0 HA VAL A 6 2.348 -9.073 -12.252 1.00 74.21 H new ATOM 0 HB VAL A 6 2.936 -6.978 -13.540 1.00 13.22 H new ATOM 0 HG11 VAL A 6 3.356 -7.185 -15.956 1.00 14.13 H new ATOM 0 HG12 VAL A 6 4.657 -7.924 -14.993 1.00 14.13 H new ATOM 0 HG13 VAL A 6 3.442 -8.955 -15.785 1.00 14.13 H new ATOM 0 HG21 VAL A 6 1.038 -7.144 -15.099 1.00 65.40 H new ATOM 0 HG22 VAL A 6 1.028 -8.912 -14.892 1.00 65.40 H new ATOM 0 HG23 VAL A 6 0.653 -7.852 -13.512 1.00 65.40 H new ATOM 99 N LYS A 7 1.892 -11.118 -13.617 1.00 4.40 N ATOM 100 CA LYS A 7 1.690 -12.404 -14.274 1.00 3.42 C ATOM 101 C LYS A 7 1.087 -12.217 -15.662 1.00 44.54 C ATOM 102 O LYS A 7 1.405 -12.958 -16.592 1.00 20.40 O ATOM 103 CB LYS A 7 0.779 -13.295 -13.426 1.00 42.44 C ATOM 104 CG LYS A 7 1.292 -14.716 -13.272 1.00 34.13 C ATOM 105 CD LYS A 7 0.956 -15.284 -11.903 1.00 33.10 C ATOM 106 CE LYS A 7 -0.543 -15.482 -11.734 1.00 41.11 C ATOM 107 NZ LYS A 7 -0.985 -16.816 -12.226 1.00 31.22 N ATOM 0 H LYS A 7 1.127 -10.832 -13.006 1.00 4.40 H new ATOM 0 HA LYS A 7 2.662 -12.886 -14.382 1.00 3.42 H new ATOM 0 HB2 LYS A 7 0.666 -12.849 -12.438 1.00 42.44 H new ATOM 0 HB3 LYS A 7 -0.212 -13.322 -13.879 1.00 42.44 H new ATOM 0 HG2 LYS A 7 0.856 -15.347 -14.046 1.00 34.13 H new ATOM 0 HG3 LYS A 7 2.372 -14.732 -13.419 1.00 34.13 H new ATOM 0 HD2 LYS A 7 1.467 -16.237 -11.768 1.00 33.10 H new ATOM 0 HD3 LYS A 7 1.325 -14.612 -11.128 1.00 33.10 H new ATOM 0 HE2 LYS A 7 -0.807 -15.377 -10.682 1.00 41.11 H new ATOM 0 HE3 LYS A 7 -1.076 -14.700 -12.275 1.00 41.11 H new ATOM 0 HZ1 LYS A 7 -2.012 -16.912 -12.093 1.00 31.22 H new ATOM 0 HZ2 LYS A 7 -0.756 -16.907 -13.237 1.00 31.22 H new ATOM 0 HZ3 LYS A 7 -0.496 -17.562 -11.692 1.00 31.22 H new ATOM 121 N TRP A 8 0.218 -11.221 -15.796 1.00 25.24 N ATOM 122 CA TRP A 8 -0.427 -10.936 -17.072 1.00 33.30 C ATOM 123 C TRP A 8 -1.162 -9.601 -17.024 1.00 74.42 C ATOM 124 O TRP A 8 -1.769 -9.252 -16.012 1.00 1.55 O ATOM 125 CB TRP A 8 -1.403 -12.057 -17.435 1.00 20.14 C ATOM 126 CG TRP A 8 -2.688 -11.997 -16.666 1.00 74.43 C ATOM 127 CD1 TRP A 8 -3.726 -11.132 -16.870 1.00 25.41 C ATOM 128 CD2 TRP A 8 -3.072 -12.836 -15.571 1.00 2.32 C ATOM 129 NE1 TRP A 8 -4.731 -11.383 -15.967 1.00 5.41 N ATOM 130 CE2 TRP A 8 -4.354 -12.423 -15.160 1.00 34.34 C ATOM 131 CE3 TRP A 8 -2.458 -13.896 -14.899 1.00 4.23 C ATOM 132 CZ2 TRP A 8 -5.030 -13.034 -14.107 1.00 12.15 C ATOM 133 CZ3 TRP A 8 -3.130 -14.501 -13.854 1.00 4.44 C ATOM 134 CH2 TRP A 8 -4.405 -14.069 -13.466 1.00 72.22 C ATOM 0 H TRP A 8 -0.056 -10.598 -15.037 1.00 25.24 H new ATOM 0 HA TRP A 8 0.347 -10.876 -17.837 1.00 33.30 H new ATOM 0 HB2 TRP A 8 -1.623 -12.006 -18.501 1.00 20.14 H new ATOM 0 HB3 TRP A 8 -0.924 -13.019 -17.254 1.00 20.14 H new ATOM 0 HD1 TRP A 8 -3.753 -10.364 -17.629 1.00 25.41 H new ATOM 0 HE1 TRP A 8 -5.614 -10.877 -15.908 1.00 5.41 H new ATOM 0 HE3 TRP A 8 -1.476 -14.236 -15.191 1.00 4.23 H new ATOM 0 HZ2 TRP A 8 -6.013 -12.703 -13.807 1.00 12.15 H new ATOM 0 HZ3 TRP A 8 -2.664 -15.321 -13.327 1.00 4.44 H new ATOM 0 HH2 TRP A 8 -4.904 -14.562 -12.645 1.00 72.22 H new ATOM 145 N PHE A 9 -1.105 -8.859 -18.125 1.00 63.31 N ATOM 146 CA PHE A 9 -1.765 -7.562 -18.208 1.00 1.32 C ATOM 147 C PHE A 9 -2.349 -7.336 -19.599 1.00 60.34 C ATOM 148 O PHE A 9 -1.631 -6.994 -20.538 1.00 4.15 O ATOM 149 CB PHE A 9 -0.779 -6.442 -17.869 1.00 12.43 C ATOM 150 CG PHE A 9 -1.404 -5.076 -17.857 1.00 53.03 C ATOM 151 CD1 PHE A 9 -1.558 -4.360 -19.034 1.00 35.43 C ATOM 152 CD2 PHE A 9 -1.838 -4.508 -16.670 1.00 73.14 C ATOM 153 CE1 PHE A 9 -2.133 -3.103 -19.026 1.00 24.32 C ATOM 154 CE2 PHE A 9 -2.414 -3.251 -16.656 1.00 64.33 C ATOM 155 CZ PHE A 9 -2.562 -2.549 -17.836 1.00 1.41 C ATOM 0 H PHE A 9 -0.608 -9.134 -18.972 1.00 63.31 H new ATOM 0 HA PHE A 9 -2.581 -7.551 -17.485 1.00 1.32 H new ATOM 0 HB2 PHE A 9 -0.339 -6.640 -16.892 1.00 12.43 H new ATOM 0 HB3 PHE A 9 0.035 -6.454 -18.594 1.00 12.43 H new ATOM 0 HD1 PHE A 9 -1.225 -4.789 -19.968 1.00 35.43 H new ATOM 0 HD2 PHE A 9 -1.725 -5.054 -15.745 1.00 73.14 H new ATOM 0 HE1 PHE A 9 -2.247 -2.555 -19.949 1.00 24.32 H new ATOM 0 HE2 PHE A 9 -2.748 -2.819 -15.724 1.00 64.33 H new ATOM 0 HZ PHE A 9 -3.013 -1.568 -17.828 1.00 1.41 H new ATOM 165 N ASN A 10 -3.658 -7.532 -19.724 1.00 63.01 N ATOM 166 CA ASN A 10 -4.339 -7.352 -21.001 1.00 12.42 C ATOM 167 C ASN A 10 -4.711 -5.888 -21.217 1.00 44.30 C ATOM 168 O ASN A 10 -5.445 -5.299 -20.424 1.00 22.41 O ATOM 169 CB ASN A 10 -5.596 -8.222 -21.059 1.00 70.22 C ATOM 170 CG ASN A 10 -5.906 -8.697 -22.466 1.00 1.32 C ATOM 171 OD1 ASN A 10 -5.029 -8.730 -23.329 1.00 3.10 O ATOM 172 ND2 ASN A 10 -7.159 -9.067 -22.703 1.00 11.53 N ATOM 0 H ASN A 10 -4.268 -7.815 -18.957 1.00 63.01 H new ATOM 0 HA ASN A 10 -3.657 -7.657 -21.795 1.00 12.42 H new ATOM 0 HB2 ASN A 10 -5.467 -9.086 -20.407 1.00 70.22 H new ATOM 0 HB3 ASN A 10 -6.444 -7.656 -20.674 1.00 70.22 H new ATOM 0 HD21 ASN A 10 -7.427 -9.395 -23.631 1.00 11.53 H new ATOM 0 HD22 ASN A 10 -7.853 -9.023 -21.957 1.00 11.53 H new ATOM 179 N ALA A 11 -4.198 -5.306 -22.297 1.00 33.23 N ATOM 180 CA ALA A 11 -4.478 -3.913 -22.619 1.00 41.51 C ATOM 181 C ALA A 11 -5.779 -3.781 -23.403 1.00 51.13 C ATOM 182 O ALA A 11 -6.380 -2.708 -23.449 1.00 35.31 O ATOM 183 CB ALA A 11 -3.323 -3.311 -23.405 1.00 45.50 C ATOM 0 H ALA A 11 -3.587 -5.778 -22.963 1.00 33.23 H new ATOM 0 HA ALA A 11 -4.591 -3.366 -21.683 1.00 41.51 H new ATOM 0 HB1 ALA A 11 -3.546 -2.270 -23.639 1.00 45.50 H new ATOM 0 HB2 ALA A 11 -2.412 -3.362 -22.809 1.00 45.50 H new ATOM 0 HB3 ALA A 11 -3.183 -3.869 -24.331 1.00 45.50 H new ATOM 189 N GLU A 12 -6.207 -4.878 -24.020 1.00 30.45 N ATOM 190 CA GLU A 12 -7.437 -4.883 -24.803 1.00 63.33 C ATOM 191 C GLU A 12 -8.645 -4.585 -23.921 1.00 34.11 C ATOM 192 O GLU A 12 -9.584 -3.908 -24.342 1.00 30.35 O ATOM 193 CB GLU A 12 -7.619 -6.234 -25.498 1.00 35.41 C ATOM 194 CG GLU A 12 -6.682 -6.445 -26.675 1.00 75.13 C ATOM 195 CD GLU A 12 -7.089 -7.622 -27.541 1.00 41.10 C ATOM 196 OE1 GLU A 12 -6.818 -8.774 -27.141 1.00 1.53 O ATOM 197 OE2 GLU A 12 -7.677 -7.392 -28.618 1.00 52.30 O ATOM 0 H GLU A 12 -5.720 -5.774 -23.993 1.00 30.45 H new ATOM 0 HA GLU A 12 -7.360 -4.101 -25.559 1.00 63.33 H new ATOM 0 HB2 GLU A 12 -7.461 -7.031 -24.771 1.00 35.41 H new ATOM 0 HB3 GLU A 12 -8.649 -6.319 -25.845 1.00 35.41 H new ATOM 0 HG2 GLU A 12 -6.660 -5.541 -27.284 1.00 75.13 H new ATOM 0 HG3 GLU A 12 -5.669 -6.604 -26.304 1.00 75.13 H new ATOM 204 N LYS A 13 -8.616 -5.096 -22.695 1.00 4.44 N ATOM 205 CA LYS A 13 -9.707 -4.885 -21.751 1.00 1.22 C ATOM 206 C LYS A 13 -9.351 -3.798 -20.742 1.00 13.52 C ATOM 207 O LYS A 13 -10.193 -2.979 -20.374 1.00 31.53 O ATOM 208 CB LYS A 13 -10.034 -6.188 -21.018 1.00 62.12 C ATOM 209 CG LYS A 13 -10.383 -7.337 -21.948 1.00 34.22 C ATOM 210 CD LYS A 13 -11.539 -8.161 -21.406 1.00 34.13 C ATOM 211 CE LYS A 13 -12.866 -7.725 -22.009 1.00 22.00 C ATOM 212 NZ LYS A 13 -13.603 -6.792 -21.112 1.00 42.05 N ATOM 0 H LYS A 13 -7.848 -5.660 -22.331 1.00 4.44 H new ATOM 0 HA LYS A 13 -10.583 -4.562 -22.313 1.00 1.22 H new ATOM 0 HB2 LYS A 13 -9.180 -6.474 -20.405 1.00 62.12 H new ATOM 0 HB3 LYS A 13 -10.869 -6.014 -20.340 1.00 62.12 H new ATOM 0 HG2 LYS A 13 -10.644 -6.945 -22.931 1.00 34.22 H new ATOM 0 HG3 LYS A 13 -9.510 -7.976 -22.082 1.00 34.22 H new ATOM 0 HD2 LYS A 13 -11.369 -9.215 -21.623 1.00 34.13 H new ATOM 0 HD3 LYS A 13 -11.581 -8.062 -20.321 1.00 34.13 H new ATOM 0 HE2 LYS A 13 -12.687 -7.241 -22.969 1.00 22.00 H new ATOM 0 HE3 LYS A 13 -13.482 -8.603 -22.205 1.00 22.00 H new ATOM 0 HZ1 LYS A 13 -14.501 -6.518 -21.559 1.00 42.05 H new ATOM 0 HZ2 LYS A 13 -13.796 -7.263 -20.205 1.00 42.05 H new ATOM 0 HZ3 LYS A 13 -13.026 -5.943 -20.945 1.00 42.05 H new ATOM 226 N GLY A 14 -8.097 -3.794 -20.299 1.00 75.21 N ATOM 227 CA GLY A 14 -7.653 -2.802 -19.338 1.00 42.00 C ATOM 228 C GLY A 14 -7.592 -3.349 -17.926 1.00 24.32 C ATOM 229 O GLY A 14 -7.963 -2.666 -16.971 1.00 63.02 O ATOM 0 H GLY A 14 -7.381 -4.460 -20.589 1.00 75.21 H new ATOM 0 HA2 GLY A 14 -6.667 -2.438 -19.626 1.00 42.00 H new ATOM 0 HA3 GLY A 14 -8.329 -1.947 -19.364 1.00 42.00 H new ATOM 233 N TYR A 15 -7.124 -4.585 -17.792 1.00 22.30 N ATOM 234 CA TYR A 15 -7.019 -5.226 -16.486 1.00 54.23 C ATOM 235 C TYR A 15 -5.753 -6.072 -16.394 1.00 75.34 C ATOM 236 O TYR A 15 -5.067 -6.293 -17.391 1.00 61.11 O ATOM 237 CB TYR A 15 -8.249 -6.097 -16.222 1.00 41.42 C ATOM 238 CG TYR A 15 -8.190 -7.448 -16.898 1.00 12.12 C ATOM 239 CD1 TYR A 15 -8.037 -7.552 -18.275 1.00 32.42 C ATOM 240 CD2 TYR A 15 -8.287 -8.621 -16.159 1.00 3.43 C ATOM 241 CE1 TYR A 15 -7.984 -8.785 -18.896 1.00 41.01 C ATOM 242 CE2 TYR A 15 -8.233 -9.858 -16.771 1.00 41.34 C ATOM 243 CZ TYR A 15 -8.082 -9.935 -18.140 1.00 41.42 C ATOM 244 OH TYR A 15 -8.028 -11.164 -18.755 1.00 62.43 O ATOM 0 H TYR A 15 -6.811 -5.163 -18.572 1.00 22.30 H new ATOM 0 HA TYR A 15 -6.967 -4.444 -15.729 1.00 54.23 H new ATOM 0 HB2 TYR A 15 -8.357 -6.242 -15.147 1.00 41.42 H new ATOM 0 HB3 TYR A 15 -9.139 -5.568 -16.563 1.00 41.42 H new ATOM 0 HD1 TYR A 15 -7.958 -6.654 -18.870 1.00 32.42 H new ATOM 0 HD2 TYR A 15 -8.407 -8.564 -15.087 1.00 3.43 H new ATOM 0 HE1 TYR A 15 -7.866 -8.848 -19.968 1.00 41.01 H new ATOM 0 HE2 TYR A 15 -8.309 -10.760 -16.181 1.00 41.34 H new ATOM 0 HH TYR A 15 -8.110 -11.871 -18.081 1.00 62.43 H new ATOM 254 N GLY A 16 -5.451 -6.545 -15.189 1.00 13.32 N ATOM 255 CA GLY A 16 -4.269 -7.362 -14.987 1.00 73.22 C ATOM 256 C GLY A 16 -4.139 -7.851 -13.558 1.00 73.03 C ATOM 257 O GLY A 16 -4.910 -7.452 -12.685 1.00 50.42 O ATOM 0 H GLY A 16 -6.004 -6.377 -14.349 1.00 13.32 H new ATOM 0 HA2 GLY A 16 -4.305 -8.219 -15.659 1.00 73.22 H new ATOM 0 HA3 GLY A 16 -3.383 -6.785 -15.252 1.00 73.22 H new ATOM 261 N PHE A 17 -3.162 -8.719 -13.318 1.00 74.42 N ATOM 262 CA PHE A 17 -2.936 -9.266 -11.985 1.00 44.24 C ATOM 263 C PHE A 17 -1.460 -9.184 -11.608 1.00 5.53 C ATOM 264 O PHE A 17 -0.584 -9.502 -12.412 1.00 45.15 O ATOM 265 CB PHE A 17 -3.410 -10.719 -11.919 1.00 54.12 C ATOM 266 CG PHE A 17 -4.854 -10.861 -11.529 1.00 2.31 C ATOM 267 CD1 PHE A 17 -5.861 -10.469 -12.396 1.00 12.12 C ATOM 268 CD2 PHE A 17 -5.203 -11.386 -10.296 1.00 33.45 C ATOM 269 CE1 PHE A 17 -7.190 -10.598 -12.039 1.00 12.43 C ATOM 270 CE2 PHE A 17 -6.531 -11.518 -9.933 1.00 43.01 C ATOM 271 CZ PHE A 17 -7.525 -11.124 -10.806 1.00 54.14 C ATOM 0 H PHE A 17 -2.514 -9.059 -14.029 1.00 74.42 H new ATOM 0 HA PHE A 17 -3.509 -8.672 -11.274 1.00 44.24 H new ATOM 0 HB2 PHE A 17 -3.257 -11.187 -12.891 1.00 54.12 H new ATOM 0 HB3 PHE A 17 -2.793 -11.262 -11.203 1.00 54.12 H new ATOM 0 HD1 PHE A 17 -5.605 -10.058 -13.361 1.00 12.12 H new ATOM 0 HD2 PHE A 17 -4.429 -11.696 -9.610 1.00 33.45 H new ATOM 0 HE1 PHE A 17 -7.966 -10.288 -12.723 1.00 12.43 H new ATOM 0 HE2 PHE A 17 -6.790 -11.929 -8.968 1.00 43.01 H new ATOM 0 HZ PHE A 17 -8.563 -11.227 -10.526 1.00 54.14 H new ATOM 281 N ILE A 18 -1.192 -8.754 -10.379 1.00 54.11 N ATOM 282 CA ILE A 18 0.177 -8.630 -9.894 1.00 74.04 C ATOM 283 C ILE A 18 0.435 -9.578 -8.729 1.00 30.53 C ATOM 284 O ILE A 18 -0.465 -9.867 -7.940 1.00 63.12 O ATOM 285 CB ILE A 18 0.488 -7.189 -9.448 1.00 34.20 C ATOM 286 CG1 ILE A 18 0.258 -6.213 -10.604 1.00 22.22 C ATOM 287 CG2 ILE A 18 1.918 -7.089 -8.939 1.00 70.43 C ATOM 288 CD1 ILE A 18 -0.047 -4.802 -10.152 1.00 24.23 C ATOM 0 H ILE A 18 -1.905 -8.486 -9.701 1.00 54.11 H new ATOM 0 HA ILE A 18 0.831 -8.893 -10.725 1.00 74.04 H new ATOM 0 HB ILE A 18 -0.186 -6.923 -8.634 1.00 34.20 H new ATOM 0 HG12 ILE A 18 1.144 -6.199 -11.239 1.00 22.22 H new ATOM 0 HG13 ILE A 18 -0.567 -6.576 -11.217 1.00 22.22 H new ATOM 0 HG21 ILE A 18 2.123 -6.065 -8.628 1.00 70.43 H new ATOM 0 HG22 ILE A 18 2.050 -7.760 -8.090 1.00 70.43 H new ATOM 0 HG23 ILE A 18 2.608 -7.371 -9.734 1.00 70.43 H new ATOM 0 HD11 ILE A 18 -0.199 -4.165 -11.024 1.00 24.23 H new ATOM 0 HD12 ILE A 18 -0.950 -4.803 -9.542 1.00 24.23 H new ATOM 0 HD13 ILE A 18 0.788 -4.420 -9.564 1.00 24.23 H new ATOM 300 N GLN A 19 1.670 -10.058 -8.626 1.00 23.13 N ATOM 301 CA GLN A 19 2.047 -10.973 -7.555 1.00 21.30 C ATOM 302 C GLN A 19 3.110 -10.351 -6.656 1.00 1.12 C ATOM 303 O GLN A 19 4.188 -9.979 -7.120 1.00 33.14 O ATOM 304 CB GLN A 19 2.563 -12.290 -8.139 1.00 11.24 C ATOM 305 CG GLN A 19 1.485 -13.117 -8.820 1.00 51.01 C ATOM 306 CD GLN A 19 0.896 -12.423 -10.033 1.00 22.33 C ATOM 307 OE1 GLN A 19 1.595 -11.713 -10.756 1.00 61.12 O ATOM 308 NE2 GLN A 19 -0.396 -12.626 -10.262 1.00 0.23 N ATOM 0 H GLN A 19 2.426 -9.829 -9.271 1.00 23.13 H new ATOM 0 HA GLN A 19 1.160 -11.173 -6.953 1.00 21.30 H new ATOM 0 HB2 GLN A 19 3.353 -12.074 -8.859 1.00 11.24 H new ATOM 0 HB3 GLN A 19 3.012 -12.881 -7.341 1.00 11.24 H new ATOM 0 HG2 GLN A 19 1.905 -14.076 -9.123 1.00 51.01 H new ATOM 0 HG3 GLN A 19 0.690 -13.329 -8.106 1.00 51.01 H new ATOM 0 HE21 GLN A 19 -0.937 -13.223 -9.636 1.00 0.23 H new ATOM 0 HE22 GLN A 19 -0.847 -12.185 -11.064 1.00 0.23 H new ATOM 317 N GLN A 20 2.799 -10.241 -5.368 1.00 54.45 N ATOM 318 CA GLN A 20 3.728 -9.662 -4.405 1.00 54.11 C ATOM 319 C GLN A 20 4.218 -10.718 -3.420 1.00 13.44 C ATOM 320 O GLN A 20 3.957 -11.908 -3.591 1.00 14.23 O ATOM 321 CB GLN A 20 3.060 -8.512 -3.649 1.00 3.13 C ATOM 322 CG GLN A 20 1.847 -8.939 -2.838 1.00 62.44 C ATOM 323 CD GLN A 20 1.494 -7.947 -1.749 1.00 11.44 C ATOM 324 OE1 GLN A 20 0.351 -7.501 -1.645 1.00 75.35 O ATOM 325 NE2 GLN A 20 2.476 -7.594 -0.927 1.00 61.05 N ATOM 0 H GLN A 20 1.911 -10.545 -4.968 1.00 54.45 H new ATOM 0 HA GLN A 20 4.588 -9.276 -4.953 1.00 54.11 H new ATOM 0 HB2 GLN A 20 3.790 -8.055 -2.981 1.00 3.13 H new ATOM 0 HB3 GLN A 20 2.758 -7.746 -4.363 1.00 3.13 H new ATOM 0 HG2 GLN A 20 0.993 -9.060 -3.505 1.00 62.44 H new ATOM 0 HG3 GLN A 20 2.040 -9.913 -2.388 1.00 62.44 H new ATOM 0 HE21 GLN A 20 3.409 -7.988 -1.048 1.00 61.05 H new ATOM 0 HE22 GLN A 20 2.297 -6.929 -0.174 1.00 61.05 H new ATOM 397 N VAL A 26 -3.305 -9.675 -7.621 1.00 5.42 N ATOM 398 CA VAL A 26 -4.090 -8.535 -7.164 1.00 53.51 C ATOM 399 C VAL A 26 -4.906 -7.937 -8.305 1.00 34.31 C ATOM 400 O VAL A 26 -4.499 -7.987 -9.466 1.00 15.41 O ATOM 401 CB VAL A 26 -3.191 -7.438 -6.562 1.00 32.40 C ATOM 402 CG1 VAL A 26 -2.602 -6.567 -7.661 1.00 31.30 C ATOM 403 CG2 VAL A 26 -3.973 -6.597 -5.565 1.00 12.22 C ATOM 0 HA VAL A 26 -4.765 -8.905 -6.392 1.00 53.51 H new ATOM 0 HB VAL A 26 -2.368 -7.917 -6.032 1.00 32.40 H new ATOM 0 HG11 VAL A 26 -1.970 -5.798 -7.216 1.00 31.30 H new ATOM 0 HG12 VAL A 26 -2.005 -7.183 -8.333 1.00 31.30 H new ATOM 0 HG13 VAL A 26 -3.408 -6.094 -8.222 1.00 31.30 H new ATOM 0 HG21 VAL A 26 -3.323 -5.827 -5.149 1.00 12.22 H new ATOM 0 HG22 VAL A 26 -4.817 -6.126 -6.069 1.00 12.22 H new ATOM 0 HG23 VAL A 26 -4.341 -7.234 -4.761 1.00 12.22 H new ATOM 413 N PHE A 27 -6.061 -7.372 -7.967 1.00 23.33 N ATOM 414 CA PHE A 27 -6.936 -6.765 -8.963 1.00 24.11 C ATOM 415 C PHE A 27 -6.371 -5.431 -9.442 1.00 1.24 C ATOM 416 O PHE A 27 -6.286 -4.469 -8.677 1.00 73.52 O ATOM 417 CB PHE A 27 -8.337 -6.561 -8.385 1.00 13.53 C ATOM 418 CG PHE A 27 -9.438 -6.850 -9.365 1.00 11.42 C ATOM 419 CD1 PHE A 27 -9.491 -8.065 -10.028 1.00 53.24 C ATOM 420 CD2 PHE A 27 -10.420 -5.907 -9.622 1.00 40.51 C ATOM 421 CE1 PHE A 27 -10.503 -8.333 -10.931 1.00 43.13 C ATOM 422 CE2 PHE A 27 -11.434 -6.169 -10.524 1.00 32.23 C ATOM 423 CZ PHE A 27 -11.476 -7.385 -11.178 1.00 50.54 C ATOM 0 H PHE A 27 -6.412 -7.322 -7.011 1.00 23.33 H new ATOM 0 HA PHE A 27 -6.998 -7.440 -9.816 1.00 24.11 H new ATOM 0 HB2 PHE A 27 -8.459 -7.204 -7.514 1.00 13.53 H new ATOM 0 HB3 PHE A 27 -8.432 -5.532 -8.037 1.00 13.53 H new ATOM 0 HD1 PHE A 27 -8.734 -8.811 -9.837 1.00 53.24 H new ATOM 0 HD2 PHE A 27 -10.393 -4.956 -9.111 1.00 40.51 H new ATOM 0 HE1 PHE A 27 -10.532 -9.283 -11.443 1.00 43.13 H new ATOM 0 HE2 PHE A 27 -12.192 -5.424 -10.717 1.00 32.23 H new ATOM 0 HZ PHE A 27 -12.269 -7.594 -11.881 1.00 50.54 H new ATOM 433 N VAL A 28 -5.985 -5.380 -10.713 1.00 21.24 N ATOM 434 CA VAL A 28 -5.429 -4.165 -11.295 1.00 5.33 C ATOM 435 C VAL A 28 -6.145 -3.798 -12.589 1.00 52.53 C ATOM 436 O VAL A 28 -6.525 -4.670 -13.370 1.00 60.45 O ATOM 437 CB VAL A 28 -3.923 -4.317 -11.580 1.00 64.30 C ATOM 438 CG1 VAL A 28 -3.330 -5.437 -10.738 1.00 12.12 C ATOM 439 CG2 VAL A 28 -3.684 -4.570 -13.061 1.00 53.11 C ATOM 0 H VAL A 28 -6.047 -6.167 -11.359 1.00 21.24 H new ATOM 0 HA VAL A 28 -5.574 -3.369 -10.564 1.00 5.33 H new ATOM 0 HB VAL A 28 -3.424 -3.387 -11.308 1.00 64.30 H new ATOM 0 HG11 VAL A 28 -2.265 -5.529 -10.953 1.00 12.12 H new ATOM 0 HG12 VAL A 28 -3.468 -5.210 -9.681 1.00 12.12 H new ATOM 0 HG13 VAL A 28 -3.831 -6.375 -10.976 1.00 12.12 H new ATOM 0 HG21 VAL A 28 -2.615 -4.675 -13.244 1.00 53.11 H new ATOM 0 HG22 VAL A 28 -4.195 -5.485 -13.361 1.00 53.11 H new ATOM 0 HG23 VAL A 28 -4.071 -3.732 -13.640 1.00 53.11 H new ATOM 449 N HIS A 29 -6.327 -2.499 -12.811 1.00 62.51 N ATOM 450 CA HIS A 29 -6.997 -2.016 -14.013 1.00 15.34 C ATOM 451 C HIS A 29 -6.393 -0.695 -14.478 1.00 4.52 C ATOM 452 O HIS A 29 -5.725 -0.001 -13.710 1.00 61.31 O ATOM 453 CB HIS A 29 -8.494 -1.841 -13.752 1.00 21.23 C ATOM 454 CG HIS A 29 -9.271 -3.118 -13.846 1.00 12.13 C ATOM 455 ND1 HIS A 29 -10.093 -3.422 -14.910 1.00 53.12 N ATOM 456 CD2 HIS A 29 -9.347 -4.173 -13.001 1.00 10.54 C ATOM 457 CE1 HIS A 29 -10.642 -4.607 -14.715 1.00 75.41 C ATOM 458 NE2 HIS A 29 -10.206 -5.084 -13.563 1.00 64.55 N ATOM 0 H HIS A 29 -6.020 -1.763 -12.175 1.00 62.51 H new ATOM 0 HA HIS A 29 -6.856 -2.757 -14.800 1.00 15.34 H new ATOM 0 HB2 HIS A 29 -8.634 -1.412 -12.760 1.00 21.23 H new ATOM 0 HB3 HIS A 29 -8.898 -1.126 -14.468 1.00 21.23 H new ATOM 0 HD2 HIS A 29 -8.828 -4.278 -12.060 1.00 10.54 H new ATOM 0 HE1 HIS A 29 -11.331 -5.102 -15.384 1.00 75.41 H new ATOM 0 HE2 HIS A 29 -10.465 -5.983 -13.157 1.00 64.55 H new ATOM 466 N PHE A 30 -6.630 -0.352 -15.740 1.00 32.43 N ATOM 467 CA PHE A 30 -6.107 0.885 -16.308 1.00 34.22 C ATOM 468 C PHE A 30 -6.633 2.098 -15.546 1.00 20.22 C ATOM 469 O PHE A 30 -6.077 3.193 -15.638 1.00 23.24 O ATOM 470 CB PHE A 30 -6.488 0.993 -17.786 1.00 23.11 C ATOM 471 CG PHE A 30 -7.928 1.355 -18.009 1.00 72.33 C ATOM 472 CD1 PHE A 30 -8.908 0.375 -18.026 1.00 62.12 C ATOM 473 CD2 PHE A 30 -8.303 2.675 -18.202 1.00 21.41 C ATOM 474 CE1 PHE A 30 -10.234 0.705 -18.232 1.00 41.24 C ATOM 475 CE2 PHE A 30 -9.628 3.011 -18.408 1.00 44.12 C ATOM 476 CZ PHE A 30 -10.594 2.025 -18.422 1.00 74.14 C ATOM 0 H PHE A 30 -7.181 -0.914 -16.389 1.00 32.43 H new ATOM 0 HA PHE A 30 -5.021 0.865 -16.220 1.00 34.22 H new ATOM 0 HB2 PHE A 30 -5.855 1.742 -18.262 1.00 23.11 H new ATOM 0 HB3 PHE A 30 -6.281 0.042 -18.277 1.00 23.11 H new ATOM 0 HD1 PHE A 30 -8.632 -0.658 -17.877 1.00 62.12 H new ATOM 0 HD2 PHE A 30 -7.551 3.450 -18.191 1.00 21.41 H new ATOM 0 HE1 PHE A 30 -10.988 -0.068 -18.244 1.00 41.24 H new ATOM 0 HE2 PHE A 30 -9.907 4.044 -18.558 1.00 44.12 H new ATOM 0 HZ PHE A 30 -11.630 2.285 -18.581 1.00 74.14 H new ATOM 486 N THR A 31 -7.710 1.895 -14.793 1.00 2.42 N ATOM 487 CA THR A 31 -8.313 2.971 -14.016 1.00 44.21 C ATOM 488 C THR A 31 -7.632 3.118 -12.660 1.00 50.30 C ATOM 489 O THR A 31 -8.042 3.933 -11.834 1.00 55.02 O ATOM 490 CB THR A 31 -9.819 2.731 -13.799 1.00 4.44 C ATOM 491 OG1 THR A 31 -10.406 3.865 -13.150 1.00 74.40 O ATOM 492 CG2 THR A 31 -10.052 1.483 -12.961 1.00 14.42 C ATOM 0 H THR A 31 -8.182 0.995 -14.705 1.00 2.42 H new ATOM 0 HA THR A 31 -8.178 3.889 -14.588 1.00 44.21 H new ATOM 0 HB THR A 31 -10.287 2.588 -14.773 1.00 4.44 H new ATOM 0 HG1 THR A 31 -9.751 4.272 -12.545 1.00 74.40 H new ATOM 0 HG21 THR A 31 -11.123 1.334 -12.821 1.00 14.42 H new ATOM 0 HG22 THR A 31 -9.629 0.618 -13.471 1.00 14.42 H new ATOM 0 HG23 THR A 31 -9.572 1.602 -11.990 1.00 14.42 H new ATOM 500 N ALA A 32 -6.589 2.325 -12.437 1.00 73.03 N ATOM 501 CA ALA A 32 -5.850 2.369 -11.182 1.00 10.41 C ATOM 502 C ALA A 32 -4.377 2.681 -11.423 1.00 1.30 C ATOM 503 O ALA A 32 -3.725 3.319 -10.596 1.00 25.12 O ATOM 504 CB ALA A 32 -5.997 1.052 -10.436 1.00 32.51 C ATOM 0 H ALA A 32 -6.237 1.644 -13.110 1.00 73.03 H new ATOM 0 HA ALA A 32 -6.269 3.168 -10.571 1.00 10.41 H new ATOM 0 HB1 ALA A 32 -5.440 1.100 -9.500 1.00 32.51 H new ATOM 0 HB2 ALA A 32 -7.050 0.871 -10.222 1.00 32.51 H new ATOM 0 HB3 ALA A 32 -5.607 0.240 -11.050 1.00 32.51 H new ATOM 510 N ILE A 33 -3.859 2.228 -12.559 1.00 72.45 N ATOM 511 CA ILE A 33 -2.463 2.459 -12.908 1.00 51.24 C ATOM 512 C ILE A 33 -2.103 3.936 -12.786 1.00 34.03 C ATOM 513 O ILE A 33 -2.783 4.798 -13.341 1.00 50.14 O ATOM 514 CB ILE A 33 -2.155 1.985 -14.341 1.00 24.43 C ATOM 515 CG1 ILE A 33 -2.189 0.457 -14.414 1.00 32.44 C ATOM 516 CG2 ILE A 33 -0.801 2.511 -14.793 1.00 40.33 C ATOM 517 CD1 ILE A 33 -2.692 -0.074 -15.738 1.00 11.11 C ATOM 0 H ILE A 33 -4.385 1.698 -13.254 1.00 72.45 H new ATOM 0 HA ILE A 33 -1.863 1.881 -12.205 1.00 51.24 H new ATOM 0 HB ILE A 33 -2.919 2.380 -15.011 1.00 24.43 H new ATOM 0 HG12 ILE A 33 -1.186 0.070 -14.234 1.00 32.44 H new ATOM 0 HG13 ILE A 33 -2.825 0.077 -13.614 1.00 32.44 H new ATOM 0 HG21 ILE A 33 -0.597 2.168 -15.807 1.00 40.33 H new ATOM 0 HG22 ILE A 33 -0.809 3.601 -14.774 1.00 40.33 H new ATOM 0 HG23 ILE A 33 -0.025 2.142 -14.122 1.00 40.33 H new ATOM 0 HD11 ILE A 33 -2.689 -1.164 -15.718 1.00 11.11 H new ATOM 0 HD12 ILE A 33 -3.707 0.283 -15.911 1.00 11.11 H new ATOM 0 HD13 ILE A 33 -2.043 0.276 -16.541 1.00 11.11 H new ATOM 529 N GLU A 34 -1.029 4.219 -12.055 1.00 52.25 N ATOM 530 CA GLU A 34 -0.579 5.592 -11.861 1.00 41.41 C ATOM 531 C GLU A 34 0.720 5.851 -12.619 1.00 1.40 C ATOM 532 O GLU A 34 1.811 5.713 -12.067 1.00 42.20 O ATOM 533 CB GLU A 34 -0.380 5.881 -10.372 1.00 5.32 C ATOM 534 CG GLU A 34 -1.621 5.633 -9.532 1.00 54.31 C ATOM 535 CD GLU A 34 -2.159 6.901 -8.897 1.00 73.05 C ATOM 536 OE1 GLU A 34 -2.185 7.944 -9.584 1.00 31.14 O ATOM 537 OE2 GLU A 34 -2.555 6.849 -7.714 1.00 3.41 O ATOM 0 H GLU A 34 -0.455 3.517 -11.588 1.00 52.25 H new ATOM 0 HA GLU A 34 -1.347 6.258 -12.253 1.00 41.41 H new ATOM 0 HB2 GLU A 34 0.433 5.260 -9.996 1.00 5.32 H new ATOM 0 HB3 GLU A 34 -0.071 6.919 -10.250 1.00 5.32 H new ATOM 0 HG2 GLU A 34 -2.395 5.187 -10.157 1.00 54.31 H new ATOM 0 HG3 GLU A 34 -1.387 4.910 -8.750 1.00 54.31 H new ATOM 631 N LEU A 41 1.605 -2.760 -19.140 1.00 34.24 N ATOM 632 CA LEU A 41 2.595 -3.539 -18.404 1.00 11.44 C ATOM 633 C LEU A 41 3.053 -4.745 -19.217 1.00 3.04 C ATOM 634 O LEU A 41 2.402 -5.138 -20.183 1.00 51.14 O ATOM 635 CB LEU A 41 2.017 -4.001 -17.065 1.00 74.21 C ATOM 636 CG LEU A 41 1.982 -2.954 -15.951 1.00 61.31 C ATOM 637 CD1 LEU A 41 1.013 -1.835 -16.300 1.00 21.30 C ATOM 638 CD2 LEU A 41 1.601 -3.598 -14.626 1.00 24.12 C ATOM 0 HA LEU A 41 3.459 -2.900 -18.218 1.00 11.44 H new ATOM 0 HB2 LEU A 41 1.000 -4.356 -17.234 1.00 74.21 H new ATOM 0 HB3 LEU A 41 2.599 -4.854 -16.716 1.00 74.21 H new ATOM 0 HG LEU A 41 2.979 -2.525 -15.850 1.00 61.31 H new ATOM 0 HD11 LEU A 41 1.002 -1.100 -15.496 1.00 21.30 H new ATOM 0 HD12 LEU A 41 1.330 -1.355 -17.226 1.00 21.30 H new ATOM 0 HD13 LEU A 41 0.012 -2.247 -16.429 1.00 21.30 H new ATOM 0 HD21 LEU A 41 1.581 -2.838 -13.845 1.00 24.12 H new ATOM 0 HD22 LEU A 41 0.615 -4.055 -14.714 1.00 24.12 H new ATOM 0 HD23 LEU A 41 2.334 -4.363 -14.369 1.00 24.12 H new ATOM 650 N ASN A 42 4.178 -5.329 -18.816 1.00 33.40 N ATOM 651 CA ASN A 42 4.723 -6.493 -19.507 1.00 14.34 C ATOM 652 C ASN A 42 4.921 -7.656 -18.539 1.00 44.25 C ATOM 653 O ASN A 42 5.539 -7.501 -17.487 1.00 24.12 O ATOM 654 CB ASN A 42 6.052 -6.138 -20.176 1.00 21.23 C ATOM 655 CG ASN A 42 6.045 -4.745 -20.774 1.00 12.31 C ATOM 656 OD1 ASN A 42 5.017 -4.271 -21.259 1.00 45.14 O ATOM 657 ND2 ASN A 42 7.195 -4.081 -20.742 1.00 33.13 N ATOM 0 H ASN A 42 4.730 -5.016 -18.017 1.00 33.40 H new ATOM 0 HA ASN A 42 4.010 -6.798 -20.272 1.00 14.34 H new ATOM 0 HB2 ASN A 42 6.855 -6.212 -19.443 1.00 21.23 H new ATOM 0 HB3 ASN A 42 6.267 -6.865 -20.959 1.00 21.23 H new ATOM 0 HD21 ASN A 42 7.251 -3.139 -21.129 1.00 33.13 H new ATOM 0 HD22 ASN A 42 8.022 -4.513 -20.330 1.00 33.13 H new ATOM 664 N GLU A 43 4.393 -8.820 -18.905 1.00 43.45 N ATOM 665 CA GLU A 43 4.513 -10.009 -18.070 1.00 10.53 C ATOM 666 C GLU A 43 5.971 -10.271 -17.703 1.00 33.13 C ATOM 667 O GLU A 43 6.844 -10.301 -18.568 1.00 64.54 O ATOM 668 CB GLU A 43 3.930 -11.226 -18.790 1.00 34.13 C ATOM 669 CG GLU A 43 4.065 -12.520 -18.005 1.00 11.02 C ATOM 670 CD GLU A 43 3.467 -13.709 -18.732 1.00 10.30 C ATOM 671 OE1 GLU A 43 2.855 -13.503 -19.801 1.00 40.21 O ATOM 672 OE2 GLU A 43 3.610 -14.844 -18.232 1.00 64.05 O ATOM 0 H GLU A 43 3.878 -8.965 -19.774 1.00 43.45 H new ATOM 0 HA GLU A 43 3.951 -9.836 -17.152 1.00 10.53 H new ATOM 0 HB2 GLU A 43 2.875 -11.045 -18.997 1.00 34.13 H new ATOM 0 HB3 GLU A 43 4.428 -11.341 -19.753 1.00 34.13 H new ATOM 0 HG2 GLU A 43 5.120 -12.712 -17.808 1.00 11.02 H new ATOM 0 HG3 GLU A 43 3.575 -12.407 -17.038 1.00 11.02 H new ATOM 679 N GLY A 44 6.225 -10.460 -16.411 1.00 42.04 N ATOM 680 CA GLY A 44 7.577 -10.717 -15.952 1.00 5.35 C ATOM 681 C GLY A 44 8.245 -9.476 -15.393 1.00 44.21 C ATOM 682 O GLY A 44 9.289 -9.563 -14.747 1.00 32.02 O ATOM 0 H GLY A 44 5.519 -10.440 -15.675 1.00 42.04 H new ATOM 0 HA2 GLY A 44 7.556 -11.491 -15.185 1.00 5.35 H new ATOM 0 HA3 GLY A 44 8.171 -11.104 -16.780 1.00 5.35 H new ATOM 686 N GLU A 45 7.643 -8.318 -15.644 1.00 43.53 N ATOM 687 CA GLU A 45 8.189 -7.054 -15.163 1.00 51.35 C ATOM 688 C GLU A 45 7.702 -6.754 -13.749 1.00 12.13 C ATOM 689 O GLU A 45 6.697 -7.304 -13.297 1.00 11.45 O ATOM 690 CB GLU A 45 7.795 -5.912 -16.103 1.00 33.10 C ATOM 691 CG GLU A 45 8.520 -4.608 -15.814 1.00 73.44 C ATOM 692 CD GLU A 45 8.887 -3.853 -17.077 1.00 21.30 C ATOM 693 OE1 GLU A 45 8.044 -3.789 -17.996 1.00 33.41 O ATOM 694 OE2 GLU A 45 10.017 -3.327 -17.146 1.00 42.25 O ATOM 0 H GLU A 45 6.778 -8.229 -16.177 1.00 43.53 H new ATOM 0 HA GLU A 45 9.275 -7.141 -15.144 1.00 51.35 H new ATOM 0 HB2 GLU A 45 8.000 -6.212 -17.131 1.00 33.10 H new ATOM 0 HB3 GLU A 45 6.721 -5.745 -16.028 1.00 33.10 H new ATOM 0 HG2 GLU A 45 7.889 -3.977 -15.188 1.00 73.44 H new ATOM 0 HG3 GLU A 45 9.425 -4.818 -15.245 1.00 73.44 H new ATOM 701 N HIS A 46 8.422 -5.879 -13.054 1.00 51.53 N ATOM 702 CA HIS A 46 8.064 -5.505 -11.691 1.00 11.14 C ATOM 703 C HIS A 46 7.226 -4.230 -11.679 1.00 32.12 C ATOM 704 O HIS A 46 7.499 -3.288 -12.423 1.00 23.22 O ATOM 705 CB HIS A 46 9.323 -5.309 -10.846 1.00 20.24 C ATOM 706 CG HIS A 46 10.461 -6.193 -11.253 1.00 62.41 C ATOM 707 ND1 HIS A 46 10.683 -7.437 -10.700 1.00 63.14 N ATOM 708 CD2 HIS A 46 11.443 -6.008 -12.166 1.00 71.54 C ATOM 709 CE1 HIS A 46 11.753 -7.978 -11.255 1.00 24.12 C ATOM 710 NE2 HIS A 46 12.233 -7.132 -12.148 1.00 51.42 N ATOM 0 H HIS A 46 9.257 -5.416 -13.413 1.00 51.53 H new ATOM 0 HA HIS A 46 7.470 -6.313 -11.263 1.00 11.14 H new ATOM 0 HB2 HIS A 46 9.639 -4.268 -10.916 1.00 20.24 H new ATOM 0 HB3 HIS A 46 9.082 -5.499 -9.800 1.00 20.24 H new ATOM 0 HD2 HIS A 46 11.580 -5.139 -12.792 1.00 71.54 H new ATOM 0 HE1 HIS A 46 12.165 -8.948 -11.018 1.00 24.12 H new ATOM 0 HE2 HIS A 46 13.056 -7.288 -12.730 1.00 51.42 H new ATOM 718 N VAL A 47 6.203 -4.208 -10.830 1.00 2.42 N ATOM 719 CA VAL A 47 5.325 -3.049 -10.721 1.00 2.31 C ATOM 720 C VAL A 47 4.673 -2.981 -9.345 1.00 11.24 C ATOM 721 O VAL A 47 4.321 -4.006 -8.763 1.00 75.32 O ATOM 722 CB VAL A 47 4.224 -3.075 -11.798 1.00 24.31 C ATOM 723 CG1 VAL A 47 4.839 -3.076 -13.189 1.00 55.35 C ATOM 724 CG2 VAL A 47 3.320 -4.283 -11.605 1.00 30.11 C ATOM 0 H VAL A 47 5.962 -4.980 -10.208 1.00 2.42 H new ATOM 0 HA VAL A 47 5.947 -2.166 -10.869 1.00 2.31 H new ATOM 0 HB VAL A 47 3.617 -2.175 -11.696 1.00 24.31 H new ATOM 0 HG11 VAL A 47 4.047 -3.095 -13.937 1.00 55.35 H new ATOM 0 HG12 VAL A 47 5.442 -2.177 -13.321 1.00 55.35 H new ATOM 0 HG13 VAL A 47 5.470 -3.957 -13.307 1.00 55.35 H new ATOM 0 HG21 VAL A 47 2.548 -4.286 -12.374 1.00 30.11 H new ATOM 0 HG22 VAL A 47 3.911 -5.196 -11.681 1.00 30.11 H new ATOM 0 HG23 VAL A 47 2.852 -4.234 -10.622 1.00 30.11 H new ATOM 734 N GLU A 48 4.515 -1.765 -8.830 1.00 22.32 N ATOM 735 CA GLU A 48 3.905 -1.564 -7.521 1.00 20.22 C ATOM 736 C GLU A 48 2.386 -1.472 -7.637 1.00 2.31 C ATOM 737 O GLU A 48 1.847 -1.263 -8.724 1.00 21.11 O ATOM 738 CB GLU A 48 4.456 -0.295 -6.866 1.00 74.43 C ATOM 739 CG GLU A 48 4.202 -0.223 -5.370 1.00 32.11 C ATOM 740 CD GLU A 48 5.037 0.843 -4.687 1.00 70.43 C ATOM 741 OE1 GLU A 48 5.568 1.723 -5.396 1.00 1.31 O ATOM 742 OE2 GLU A 48 5.160 0.796 -3.446 1.00 12.14 O ATOM 0 H GLU A 48 4.801 -0.906 -9.299 1.00 22.32 H new ATOM 0 HA GLU A 48 4.153 -2.423 -6.897 1.00 20.22 H new ATOM 0 HB2 GLU A 48 5.529 -0.240 -7.047 1.00 74.43 H new ATOM 0 HB3 GLU A 48 4.007 0.575 -7.345 1.00 74.43 H new ATOM 0 HG2 GLU A 48 3.146 -0.020 -5.194 1.00 32.11 H new ATOM 0 HG3 GLU A 48 4.419 -1.192 -4.921 1.00 32.11 H new ATOM 749 N PHE A 49 1.702 -1.629 -6.509 1.00 31.23 N ATOM 750 CA PHE A 49 0.245 -1.565 -6.483 1.00 23.32 C ATOM 751 C PHE A 49 -0.268 -1.441 -5.051 1.00 54.14 C ATOM 752 O PHE A 49 0.147 -2.187 -4.166 1.00 30.15 O ATOM 753 CB PHE A 49 -0.353 -2.808 -7.145 1.00 63.31 C ATOM 754 CG PHE A 49 -0.019 -4.087 -6.431 1.00 52.02 C ATOM 755 CD1 PHE A 49 1.190 -4.726 -6.655 1.00 52.21 C ATOM 756 CD2 PHE A 49 -0.914 -4.650 -5.536 1.00 13.22 C ATOM 757 CE1 PHE A 49 1.499 -5.903 -6.000 1.00 53.11 C ATOM 758 CE2 PHE A 49 -0.611 -5.827 -4.877 1.00 43.35 C ATOM 759 CZ PHE A 49 0.598 -6.453 -5.109 1.00 70.43 C ATOM 0 H PHE A 49 2.133 -1.801 -5.601 1.00 31.23 H new ATOM 0 HA PHE A 49 -0.065 -0.681 -7.040 1.00 23.32 H new ATOM 0 HB2 PHE A 49 -1.437 -2.699 -7.191 1.00 63.31 H new ATOM 0 HB3 PHE A 49 0.005 -2.871 -8.173 1.00 63.31 H new ATOM 0 HD1 PHE A 49 1.899 -4.299 -7.349 1.00 52.21 H new ATOM 0 HD2 PHE A 49 -1.860 -4.163 -5.351 1.00 13.22 H new ATOM 0 HE1 PHE A 49 2.444 -6.392 -6.185 1.00 53.11 H new ATOM 0 HE2 PHE A 49 -1.318 -6.256 -4.182 1.00 43.35 H new ATOM 0 HZ PHE A 49 0.839 -7.371 -4.594 1.00 70.43 H new ATOM 769 N GLU A 50 -1.174 -0.492 -4.834 1.00 61.12 N ATOM 770 CA GLU A 50 -1.743 -0.269 -3.510 1.00 71.03 C ATOM 771 C GLU A 50 -3.092 -0.970 -3.373 1.00 3.42 C ATOM 772 O GLU A 50 -4.112 -0.476 -3.852 1.00 54.51 O ATOM 773 CB GLU A 50 -1.905 1.229 -3.246 1.00 51.44 C ATOM 774 CG GLU A 50 -0.727 1.849 -2.514 1.00 42.43 C ATOM 775 CD GLU A 50 -1.007 2.071 -1.041 1.00 1.34 C ATOM 776 OE1 GLU A 50 -1.901 1.390 -0.497 1.00 22.12 O ATOM 777 OE2 GLU A 50 -0.331 2.927 -0.431 1.00 72.13 O ATOM 0 H GLU A 50 -1.529 0.134 -5.557 1.00 61.12 H new ATOM 0 HA GLU A 50 -1.058 -0.688 -2.773 1.00 71.03 H new ATOM 0 HB2 GLU A 50 -2.043 1.744 -4.197 1.00 51.44 H new ATOM 0 HB3 GLU A 50 -2.811 1.390 -2.662 1.00 51.44 H new ATOM 0 HG2 GLU A 50 0.144 1.202 -2.621 1.00 42.43 H new ATOM 0 HG3 GLU A 50 -0.475 2.802 -2.980 1.00 42.43 H new ATOM 784 N VAL A 51 -3.088 -2.125 -2.715 1.00 4.30 N ATOM 785 CA VAL A 51 -4.310 -2.894 -2.513 1.00 64.03 C ATOM 786 C VAL A 51 -5.293 -2.141 -1.625 1.00 1.44 C ATOM 787 O VAL A 51 -4.972 -1.783 -0.492 1.00 42.41 O ATOM 788 CB VAL A 51 -4.011 -4.266 -1.881 1.00 60.42 C ATOM 789 CG1 VAL A 51 -3.166 -5.114 -2.820 1.00 33.41 C ATOM 790 CG2 VAL A 51 -3.319 -4.094 -0.537 1.00 75.42 C ATOM 0 H VAL A 51 -2.252 -2.549 -2.313 1.00 4.30 H new ATOM 0 HA VAL A 51 -4.756 -3.044 -3.496 1.00 64.03 H new ATOM 0 HB VAL A 51 -4.956 -4.783 -1.714 1.00 60.42 H new ATOM 0 HG11 VAL A 51 -2.965 -6.080 -2.356 1.00 33.41 H new ATOM 0 HG12 VAL A 51 -3.703 -5.266 -3.756 1.00 33.41 H new ATOM 0 HG13 VAL A 51 -2.223 -4.605 -3.021 1.00 33.41 H new ATOM 0 HG21 VAL A 51 -3.115 -5.074 -0.105 1.00 75.42 H new ATOM 0 HG22 VAL A 51 -2.381 -3.557 -0.677 1.00 75.42 H new ATOM 0 HG23 VAL A 51 -3.964 -3.528 0.135 1.00 75.42 H new ATOM 800 N GLU A 52 -6.492 -1.904 -2.147 1.00 15.14 N ATOM 801 CA GLU A 52 -7.523 -1.192 -1.400 1.00 21.34 C ATOM 802 C GLU A 52 -8.732 -2.089 -1.151 1.00 73.24 C ATOM 803 O GLU A 52 -8.949 -3.087 -1.840 1.00 40.40 O ATOM 804 CB GLU A 52 -7.954 0.066 -2.155 1.00 52.50 C ATOM 805 CG GLU A 52 -7.485 1.357 -1.505 1.00 12.22 C ATOM 806 CD GLU A 52 -5.994 1.583 -1.664 1.00 73.35 C ATOM 807 OE1 GLU A 52 -5.251 0.585 -1.776 1.00 14.33 O ATOM 808 OE2 GLU A 52 -5.571 2.758 -1.678 1.00 63.54 O ATOM 0 H GLU A 52 -6.774 -2.194 -3.083 1.00 15.14 H new ATOM 0 HA GLU A 52 -7.103 -0.902 -0.437 1.00 21.34 H new ATOM 0 HB2 GLU A 52 -7.566 0.020 -3.173 1.00 52.50 H new ATOM 0 HB3 GLU A 52 -9.041 0.081 -2.229 1.00 52.50 H new ATOM 0 HG2 GLU A 52 -8.025 2.197 -1.943 1.00 12.22 H new ATOM 0 HG3 GLU A 52 -7.734 1.337 -0.444 1.00 12.22 H new ATOM 815 N PRO A 53 -9.540 -1.728 -0.143 1.00 43.42 N ATOM 816 CA PRO A 53 -10.741 -2.485 0.220 1.00 62.41 C ATOM 817 C PRO A 53 -11.839 -2.369 -0.831 1.00 73.42 C ATOM 818 O PRO A 53 -11.910 -3.173 -1.760 1.00 52.34 O ATOM 819 CB PRO A 53 -11.186 -1.836 1.533 1.00 72.43 C ATOM 820 CG PRO A 53 -10.638 -0.452 1.476 1.00 32.31 C ATOM 821 CD PRO A 53 -9.342 -0.551 0.719 1.00 15.44 C ATOM 0 HA PRO A 53 -10.540 -3.553 0.303 1.00 62.41 H new ATOM 0 HB2 PRO A 53 -12.272 -1.828 1.623 1.00 72.43 H new ATOM 0 HB3 PRO A 53 -10.799 -2.380 2.395 1.00 72.43 H new ATOM 0 HG2 PRO A 53 -11.332 0.222 0.975 1.00 32.31 H new ATOM 0 HG3 PRO A 53 -10.475 -0.055 2.478 1.00 32.31 H new ATOM 0 HD2 PRO A 53 -9.149 0.348 0.134 1.00 15.44 H new ATOM 0 HD3 PRO A 53 -8.493 -0.683 1.390 1.00 15.44 H new ATOM 829 N GLY A 54 -12.695 -1.363 -0.678 1.00 71.30 N ATOM 830 CA GLY A 54 -13.779 -1.161 -1.622 1.00 4.10 C ATOM 831 C GLY A 54 -13.309 -0.530 -2.917 1.00 44.54 C ATOM 832 O GLY A 54 -13.759 0.555 -3.287 1.00 35.05 O ATOM 0 H GLY A 54 -12.657 -0.684 0.083 1.00 71.30 H new ATOM 0 HA2 GLY A 54 -14.251 -2.119 -1.839 1.00 4.10 H new ATOM 0 HA3 GLY A 54 -14.539 -0.526 -1.167 1.00 4.10 H new ATOM 836 N ARG A 55 -12.399 -1.208 -3.609 1.00 21.32 N ATOM 837 CA ARG A 55 -11.865 -0.706 -4.869 1.00 13.51 C ATOM 838 C ARG A 55 -11.909 -1.785 -5.947 1.00 13.50 C ATOM 839 O ARG A 55 -12.248 -1.513 -7.098 1.00 51.11 O ATOM 840 CB ARG A 55 -10.428 -0.217 -4.680 1.00 11.31 C ATOM 841 CG ARG A 55 -10.326 1.266 -4.361 1.00 30.23 C ATOM 842 CD ARG A 55 -10.559 2.119 -5.598 1.00 2.34 C ATOM 843 NE ARG A 55 -11.826 2.842 -5.533 1.00 0.50 N ATOM 844 CZ ARG A 55 -12.288 3.606 -6.517 1.00 64.44 C ATOM 845 NH1 ARG A 55 -11.590 3.744 -7.636 1.00 70.13 N ATOM 846 NH2 ARG A 55 -13.450 4.232 -6.384 1.00 22.13 N ATOM 0 H ARG A 55 -12.016 -2.107 -3.318 1.00 21.32 H new ATOM 0 HA ARG A 55 -12.487 0.130 -5.190 1.00 13.51 H new ATOM 0 HB2 ARG A 55 -9.963 -0.786 -3.875 1.00 11.31 H new ATOM 0 HB3 ARG A 55 -9.860 -0.425 -5.587 1.00 11.31 H new ATOM 0 HG2 ARG A 55 -11.057 1.526 -3.596 1.00 30.23 H new ATOM 0 HG3 ARG A 55 -9.341 1.484 -3.948 1.00 30.23 H new ATOM 0 HD2 ARG A 55 -9.741 2.831 -5.707 1.00 2.34 H new ATOM 0 HD3 ARG A 55 -10.549 1.484 -6.484 1.00 2.34 H new ATOM 0 HE ARG A 55 -12.387 2.756 -4.686 1.00 0.50 H new ATOM 0 HH11 ARG A 55 -10.697 3.263 -7.742 1.00 70.13 H new ATOM 0 HH12 ARG A 55 -11.946 4.331 -8.390 1.00 70.13 H new ATOM 0 HH21 ARG A 55 -13.990 4.127 -5.525 1.00 22.13 H new ATOM 0 HH22 ARG A 55 -13.803 4.818 -7.140 1.00 22.13 H new ATOM 860 N GLY A 56 -11.564 -3.010 -5.565 1.00 24.30 N ATOM 861 CA GLY A 56 -11.570 -4.111 -6.510 1.00 64.33 C ATOM 862 C GLY A 56 -12.668 -5.116 -6.223 1.00 64.11 C ATOM 863 O GLY A 56 -13.053 -5.313 -5.071 1.00 50.25 O ATOM 0 H GLY A 56 -11.280 -3.260 -4.618 1.00 24.30 H new ATOM 0 HA2 GLY A 56 -11.696 -3.719 -7.519 1.00 64.33 H new ATOM 0 HA3 GLY A 56 -10.604 -4.615 -6.482 1.00 64.33 H new ATOM 867 N GLY A 57 -13.175 -5.753 -7.274 1.00 64.52 N ATOM 868 CA GLY A 57 -14.231 -6.734 -7.108 1.00 74.14 C ATOM 869 C GLY A 57 -13.920 -7.744 -6.021 1.00 51.34 C ATOM 870 O GLY A 57 -14.678 -7.888 -5.062 1.00 22.02 O ATOM 0 H GLY A 57 -12.873 -5.607 -8.237 1.00 64.52 H new ATOM 0 HA2 GLY A 57 -15.163 -6.222 -6.868 1.00 74.14 H new ATOM 0 HA3 GLY A 57 -14.388 -7.257 -8.051 1.00 74.14 H new ATOM 874 N LYS A 58 -12.802 -8.446 -6.171 1.00 74.43 N ATOM 875 CA LYS A 58 -12.392 -9.449 -5.195 1.00 44.33 C ATOM 876 C LYS A 58 -12.000 -8.794 -3.874 1.00 54.25 C ATOM 877 O LYS A 58 -11.842 -9.469 -2.858 1.00 73.14 O ATOM 878 CB LYS A 58 -11.218 -10.268 -5.738 1.00 12.31 C ATOM 879 CG LYS A 58 -11.538 -11.011 -7.023 1.00 72.31 C ATOM 880 CD LYS A 58 -12.737 -11.930 -6.852 1.00 43.44 C ATOM 881 CE LYS A 58 -12.479 -12.991 -5.794 1.00 13.13 C ATOM 882 NZ LYS A 58 -11.201 -13.715 -6.034 1.00 24.41 N ATOM 0 H LYS A 58 -12.163 -8.339 -6.959 1.00 74.43 H new ATOM 0 HA LYS A 58 -13.238 -10.112 -5.015 1.00 44.33 H new ATOM 0 HB2 LYS A 58 -10.372 -9.603 -5.914 1.00 12.31 H new ATOM 0 HB3 LYS A 58 -10.906 -10.987 -4.980 1.00 12.31 H new ATOM 0 HG2 LYS A 58 -11.739 -10.294 -7.819 1.00 72.31 H new ATOM 0 HG3 LYS A 58 -10.671 -11.596 -7.332 1.00 72.31 H new ATOM 0 HD2 LYS A 58 -13.611 -11.341 -6.573 1.00 43.44 H new ATOM 0 HD3 LYS A 58 -12.967 -12.411 -7.803 1.00 43.44 H new ATOM 0 HE2 LYS A 58 -12.452 -12.523 -4.810 1.00 13.13 H new ATOM 0 HE3 LYS A 58 -13.304 -13.704 -5.786 1.00 13.13 H new ATOM 0 HZ1 LYS A 58 -11.158 -14.555 -5.422 1.00 24.41 H new ATOM 0 HZ2 LYS A 58 -11.151 -14.009 -7.030 1.00 24.41 H new ATOM 0 HZ3 LYS A 58 -10.400 -13.087 -5.817 1.00 24.41 H new ATOM 896 N GLY A 59 -11.847 -7.473 -3.896 1.00 70.12 N ATOM 897 CA GLY A 59 -11.477 -6.749 -2.694 1.00 71.30 C ATOM 898 C GLY A 59 -10.222 -5.920 -2.880 1.00 13.52 C ATOM 899 O GLY A 59 -10.279 -4.708 -3.094 1.00 33.42 O ATOM 0 H GLY A 59 -11.973 -6.892 -4.725 1.00 70.12 H new ATOM 0 HA2 GLY A 59 -12.299 -6.097 -2.399 1.00 71.30 H new ATOM 0 HA3 GLY A 59 -11.324 -7.457 -1.880 1.00 71.30 H new ATOM 903 N PRO A 60 -9.056 -6.577 -2.796 1.00 41.45 N ATOM 904 CA PRO A 60 -7.759 -5.911 -2.953 1.00 14.21 C ATOM 905 C PRO A 60 -7.512 -5.454 -4.386 1.00 44.34 C ATOM 906 O PRO A 60 -7.379 -6.274 -5.294 1.00 44.11 O ATOM 907 CB PRO A 60 -6.754 -6.995 -2.556 1.00 1.40 C ATOM 908 CG PRO A 60 -7.458 -8.280 -2.821 1.00 73.22 C ATOM 909 CD PRO A 60 -8.913 -8.020 -2.544 1.00 31.23 C ATOM 0 HA PRO A 60 -7.690 -5.005 -2.351 1.00 14.21 H new ATOM 0 HB2 PRO A 60 -5.837 -6.918 -3.141 1.00 1.40 H new ATOM 0 HB3 PRO A 60 -6.471 -6.908 -1.507 1.00 1.40 H new ATOM 0 HG2 PRO A 60 -7.308 -8.602 -3.852 1.00 73.22 H new ATOM 0 HG3 PRO A 60 -7.075 -9.074 -2.180 1.00 73.22 H new ATOM 0 HD2 PRO A 60 -9.558 -8.608 -3.197 1.00 31.23 H new ATOM 0 HD3 PRO A 60 -9.179 -8.277 -1.519 1.00 31.23 H new ATOM 917 N GLN A 61 -7.451 -4.140 -4.582 1.00 24.43 N ATOM 918 CA GLN A 61 -7.219 -3.575 -5.906 1.00 21.52 C ATOM 919 C GLN A 61 -5.924 -2.770 -5.935 1.00 53.20 C ATOM 920 O GLN A 61 -5.365 -2.438 -4.890 1.00 65.35 O ATOM 921 CB GLN A 61 -8.395 -2.688 -6.318 1.00 20.41 C ATOM 922 CG GLN A 61 -8.820 -2.875 -7.766 1.00 4.14 C ATOM 923 CD GLN A 61 -9.680 -1.734 -8.273 1.00 21.40 C ATOM 924 OE1 GLN A 61 -9.537 -0.592 -7.837 1.00 2.14 O ATOM 925 NE2 GLN A 61 -10.580 -2.039 -9.200 1.00 53.23 N ATOM 0 H GLN A 61 -7.559 -3.448 -3.841 1.00 24.43 H new ATOM 0 HA GLN A 61 -7.129 -4.398 -6.614 1.00 21.52 H new ATOM 0 HB2 GLN A 61 -9.244 -2.900 -5.668 1.00 20.41 H new ATOM 0 HB3 GLN A 61 -8.125 -1.644 -6.159 1.00 20.41 H new ATOM 0 HG2 GLN A 61 -7.933 -2.963 -8.393 1.00 4.14 H new ATOM 0 HG3 GLN A 61 -9.371 -3.811 -7.861 1.00 4.14 H new ATOM 0 HE21 GLN A 61 -10.664 -3.000 -9.533 1.00 53.23 H new ATOM 0 HE22 GLN A 61 -11.187 -1.313 -9.580 1.00 53.23 H new ATOM 934 N ALA A 62 -5.454 -2.459 -7.138 1.00 42.44 N ATOM 935 CA ALA A 62 -4.226 -1.690 -7.303 1.00 71.44 C ATOM 936 C ALA A 62 -4.511 -0.192 -7.299 1.00 71.32 C ATOM 937 O ALA A 62 -4.175 0.517 -8.248 1.00 33.11 O ATOM 938 CB ALA A 62 -3.521 -2.092 -8.591 1.00 13.14 C ATOM 0 H ALA A 62 -5.905 -2.727 -8.013 1.00 42.44 H new ATOM 0 HA ALA A 62 -3.572 -1.911 -6.459 1.00 71.44 H new ATOM 0 HB1 ALA A 62 -2.606 -1.510 -8.702 1.00 13.14 H new ATOM 0 HB2 ALA A 62 -3.274 -3.153 -8.555 1.00 13.14 H new ATOM 0 HB3 ALA A 62 -4.177 -1.901 -9.440 1.00 13.14 H new ATOM 944 N LYS A 63 -5.133 0.284 -6.226 1.00 71.20 N ATOM 945 CA LYS A 63 -5.463 1.698 -6.097 1.00 55.11 C ATOM 946 C LYS A 63 -4.329 2.572 -6.624 1.00 34.14 C ATOM 947 O LYS A 63 -4.565 3.564 -7.314 1.00 30.21 O ATOM 948 CB LYS A 63 -5.752 2.045 -4.635 1.00 24.54 C ATOM 949 CG LYS A 63 -6.935 2.979 -4.453 1.00 33.34 C ATOM 950 CD LYS A 63 -6.760 4.262 -5.247 1.00 11.11 C ATOM 951 CE LYS A 63 -7.489 4.196 -6.580 1.00 44.15 C ATOM 952 NZ LYS A 63 -8.638 5.142 -6.632 1.00 63.12 N ATOM 0 H LYS A 63 -5.419 -0.289 -5.432 1.00 71.20 H new ATOM 0 HA LYS A 63 -6.355 1.893 -6.693 1.00 55.11 H new ATOM 0 HB2 LYS A 63 -5.939 1.124 -4.082 1.00 24.54 H new ATOM 0 HB3 LYS A 63 -4.866 2.505 -4.198 1.00 24.54 H new ATOM 0 HG2 LYS A 63 -7.849 2.476 -4.769 1.00 33.34 H new ATOM 0 HG3 LYS A 63 -7.052 3.217 -3.396 1.00 33.34 H new ATOM 0 HD2 LYS A 63 -7.136 5.104 -4.667 1.00 11.11 H new ATOM 0 HD3 LYS A 63 -5.699 4.442 -5.420 1.00 11.11 H new ATOM 0 HE2 LYS A 63 -6.793 4.426 -7.386 1.00 44.15 H new ATOM 0 HE3 LYS A 63 -7.847 3.180 -6.748 1.00 44.15 H new ATOM 0 HZ1 LYS A 63 -9.139 5.030 -7.536 1.00 63.12 H new ATOM 0 HZ2 LYS A 63 -9.290 4.939 -5.848 1.00 63.12 H new ATOM 0 HZ3 LYS A 63 -8.288 6.118 -6.548 1.00 63.12 H new ATOM 966 N LYS A 64 -3.098 2.197 -6.295 1.00 20.33 N ATOM 967 CA LYS A 64 -1.926 2.944 -6.736 1.00 73.13 C ATOM 968 C LYS A 64 -0.873 2.008 -7.322 1.00 55.41 C ATOM 969 O LYS A 64 -0.104 1.386 -6.589 1.00 54.51 O ATOM 970 CB LYS A 64 -1.330 3.733 -5.569 1.00 3.40 C ATOM 971 CG LYS A 64 -0.301 4.766 -5.996 1.00 13.41 C ATOM 972 CD LYS A 64 1.072 4.143 -6.183 1.00 34.54 C ATOM 973 CE LYS A 64 1.518 3.395 -4.936 1.00 4.25 C ATOM 974 NZ LYS A 64 2.989 3.163 -4.925 1.00 43.03 N ATOM 0 H LYS A 64 -2.886 1.379 -5.724 1.00 20.33 H new ATOM 0 HA LYS A 64 -2.241 3.640 -7.514 1.00 73.13 H new ATOM 0 HB2 LYS A 64 -2.135 4.235 -5.032 1.00 3.40 H new ATOM 0 HB3 LYS A 64 -0.866 3.037 -4.870 1.00 3.40 H new ATOM 0 HG2 LYS A 64 -0.619 5.234 -6.928 1.00 13.41 H new ATOM 0 HG3 LYS A 64 -0.244 5.555 -5.246 1.00 13.41 H new ATOM 0 HD2 LYS A 64 1.050 3.459 -7.031 1.00 34.54 H new ATOM 0 HD3 LYS A 64 1.797 4.922 -6.421 1.00 34.54 H new ATOM 0 HE2 LYS A 64 1.233 3.963 -4.050 1.00 4.25 H new ATOM 0 HE3 LYS A 64 0.999 2.438 -4.881 1.00 4.25 H new ATOM 0 HZ1 LYS A 64 3.311 3.020 -3.946 1.00 43.03 H new ATOM 0 HZ2 LYS A 64 3.211 2.318 -5.489 1.00 43.03 H new ATOM 0 HZ3 LYS A 64 3.474 3.988 -5.332 1.00 43.03 H new ATOM 988 N VAL A 65 -0.843 1.915 -8.648 1.00 35.43 N ATOM 989 CA VAL A 65 0.117 1.057 -9.332 1.00 10.11 C ATOM 990 C VAL A 65 1.277 1.871 -9.894 1.00 25.34 C ATOM 991 O VAL A 65 1.093 2.997 -10.356 1.00 70.52 O ATOM 992 CB VAL A 65 -0.548 0.273 -10.478 1.00 71.35 C ATOM 993 CG1 VAL A 65 0.217 0.474 -11.778 1.00 22.15 C ATOM 994 CG2 VAL A 65 -0.642 -1.205 -10.129 1.00 4.25 C ATOM 0 H VAL A 65 -1.472 2.423 -9.269 1.00 35.43 H new ATOM 0 HA VAL A 65 0.496 0.352 -8.592 1.00 10.11 H new ATOM 0 HB VAL A 65 -1.559 0.655 -10.616 1.00 71.35 H new ATOM 0 HG11 VAL A 65 -0.268 -0.088 -12.576 1.00 22.15 H new ATOM 0 HG12 VAL A 65 0.227 1.533 -12.034 1.00 22.15 H new ATOM 0 HG13 VAL A 65 1.241 0.121 -11.656 1.00 22.15 H new ATOM 0 HG21 VAL A 65 -1.115 -1.743 -10.950 1.00 4.25 H new ATOM 0 HG22 VAL A 65 0.359 -1.604 -9.962 1.00 4.25 H new ATOM 0 HG23 VAL A 65 -1.237 -1.328 -9.224 1.00 4.25 H new ATOM 1004 N ARG A 66 2.474 1.293 -9.850 1.00 75.03 N ATOM 1005 CA ARG A 66 3.665 1.965 -10.354 1.00 62.24 C ATOM 1006 C ARG A 66 4.482 1.030 -11.242 1.00 21.04 C ATOM 1007 O ARG A 66 4.461 -0.188 -11.062 1.00 53.15 O ATOM 1008 CB ARG A 66 4.526 2.463 -9.192 1.00 53.50 C ATOM 1009 CG ARG A 66 3.753 3.278 -8.168 1.00 33.14 C ATOM 1010 CD ARG A 66 4.525 4.518 -7.744 1.00 71.32 C ATOM 1011 NE ARG A 66 5.869 4.192 -7.275 1.00 32.33 N ATOM 1012 CZ ARG A 66 6.862 5.072 -7.219 1.00 54.51 C ATOM 1013 NH1 ARG A 66 6.662 6.326 -7.601 1.00 42.34 N ATOM 1014 NH2 ARG A 66 8.057 4.700 -6.780 1.00 20.20 N ATOM 0 H ARG A 66 2.644 0.362 -9.471 1.00 75.03 H new ATOM 0 HA ARG A 66 3.345 2.818 -10.952 1.00 62.24 H new ATOM 0 HB2 ARG A 66 4.980 1.606 -8.694 1.00 53.50 H new ATOM 0 HB3 ARG A 66 5.340 3.070 -9.588 1.00 53.50 H new ATOM 0 HG2 ARG A 66 2.791 3.573 -8.587 1.00 33.14 H new ATOM 0 HG3 ARG A 66 3.544 2.662 -7.294 1.00 33.14 H new ATOM 0 HD2 ARG A 66 4.592 5.208 -8.585 1.00 71.32 H new ATOM 0 HD3 ARG A 66 3.979 5.032 -6.952 1.00 71.32 H new ATOM 0 HE ARG A 66 6.055 3.235 -6.974 1.00 32.33 H new ATOM 0 HH11 ARG A 66 5.744 6.616 -7.939 1.00 42.34 H new ATOM 0 HH12 ARG A 66 7.426 7.000 -7.557 1.00 42.34 H new ATOM 0 HH21 ARG A 66 8.215 3.736 -6.485 1.00 20.20 H new ATOM 0 HH22 ARG A 66 8.818 5.377 -6.738 1.00 20.20 H new ATOM 1028 N ARG A 67 5.200 1.608 -12.198 1.00 45.44 N ATOM 1029 CA ARG A 67 6.023 0.827 -13.114 1.00 53.14 C ATOM 1030 C ARG A 67 7.424 0.622 -12.547 1.00 3.21 C ATOM 1031 O ARG A 67 8.048 1.562 -12.054 1.00 3.23 O ATOM 1032 CB ARG A 67 6.108 1.521 -14.475 1.00 44.20 C ATOM 1033 CG ARG A 67 6.623 2.949 -14.399 1.00 11.41 C ATOM 1034 CD ARG A 67 5.518 3.955 -14.682 1.00 42.42 C ATOM 1035 NE ARG A 67 6.017 5.131 -15.390 1.00 42.31 N ATOM 1036 CZ ARG A 67 6.799 6.048 -14.832 1.00 3.34 C ATOM 1037 NH1 ARG A 67 7.170 5.926 -13.565 1.00 30.44 N ATOM 1038 NH2 ARG A 67 7.213 7.091 -15.541 1.00 73.31 N ATOM 0 H ARG A 67 5.229 2.615 -12.359 1.00 45.44 H new ATOM 0 HA ARG A 67 5.555 -0.149 -13.240 1.00 53.14 H new ATOM 0 HB2 ARG A 67 6.761 0.942 -15.128 1.00 44.20 H new ATOM 0 HB3 ARG A 67 5.119 1.524 -14.934 1.00 44.20 H new ATOM 0 HG2 ARG A 67 7.041 3.134 -13.409 1.00 11.41 H new ATOM 0 HG3 ARG A 67 7.432 3.084 -15.117 1.00 11.41 H new ATOM 0 HD2 ARG A 67 4.737 3.479 -15.275 1.00 42.42 H new ATOM 0 HD3 ARG A 67 5.060 4.265 -13.742 1.00 42.42 H new ATOM 0 HE ARG A 67 5.750 5.255 -16.367 1.00 42.31 H new ATOM 0 HH11 ARG A 67 6.855 5.126 -13.016 1.00 30.44 H new ATOM 0 HH12 ARG A 67 7.771 6.632 -13.139 1.00 30.44 H new ATOM 0 HH21 ARG A 67 6.931 7.189 -16.516 1.00 73.31 H new ATOM 0 HH22 ARG A 67 7.814 7.794 -15.111 1.00 73.31 H new ATOM 1052 N ILE A 68 7.912 -0.612 -12.620 1.00 11.40 N ATOM 1053 CA ILE A 68 9.239 -0.939 -12.114 1.00 61.12 C ATOM 1054 C ILE A 68 9.948 -1.929 -13.032 1.00 22.32 C ATOM 1055 O ILE A 68 9.849 -3.143 -12.849 1.00 12.41 O ATOM 1056 CB ILE A 68 9.170 -1.531 -10.694 1.00 62.21 C ATOM 1057 CG1 ILE A 68 8.224 -0.706 -9.819 1.00 73.35 C ATOM 1058 CG2 ILE A 68 10.559 -1.586 -10.075 1.00 71.53 C ATOM 1059 CD1 ILE A 68 8.594 -0.715 -8.353 1.00 23.30 C ATOM 0 H ILE A 68 7.408 -1.401 -13.025 1.00 11.40 H new ATOM 0 HA ILE A 68 9.804 -0.007 -12.083 1.00 61.12 H new ATOM 0 HB ILE A 68 8.781 -2.547 -10.759 1.00 62.21 H new ATOM 0 HG12 ILE A 68 8.216 0.324 -10.177 1.00 73.35 H new ATOM 0 HG13 ILE A 68 7.210 -1.090 -9.932 1.00 73.35 H new ATOM 0 HG21 ILE A 68 10.494 -2.007 -9.072 1.00 71.53 H new ATOM 0 HG22 ILE A 68 11.207 -2.212 -10.689 1.00 71.53 H new ATOM 0 HG23 ILE A 68 10.973 -0.579 -10.020 1.00 71.53 H new ATOM 0 HD11 ILE A 68 7.880 -0.110 -7.794 1.00 23.30 H new ATOM 0 HD12 ILE A 68 8.574 -1.739 -7.979 1.00 23.30 H new ATOM 0 HD13 ILE A 68 9.595 -0.303 -8.228 1.00 23.30 H new