USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 837 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 GLN : amide:sc= -12.9! C(o=-23!,f=-27!) USER MOD Set 1.2: A 83 HIS : no HE2:sc= -10.3! C(o=-23!,f=-28!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -59:sc= 0.822 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -2.04 USER MOD Single : A 26 ASN : amide:sc= -0.24 K(o=-0.24,f=-2.5!) USER MOD Single : A 27 GLN : amide:sc= -3.46! C(o=-3.5!,f=-8.9!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.93! C(o=-2.9!,f=-11!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.831 USER MOD Single : A 37 SER OG : rot 143:sc= 0.308 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0232 K(o=-0.023,f=-1.5!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -120:sc= -0.0404 (180deg=-0.47) USER MOD Single : A 51 SER OG : rot -30:sc= -0.907 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 71:sc= 0.974 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 60:sc= -3.6! USER MOD Single : A 65 SER OG : rot 176:sc= -1.36 USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.34! USER MOD Single : A 79 CYS SG : rot 81:sc= 0.113 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -2.27! C(o=-2.3!,f=-3.5!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0111 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 64.936 1.704 -13.489 1.00 0.00 N ATOM 2 CA GLY A 1 63.978 0.651 -13.043 1.00 0.00 C ATOM 3 C GLY A 1 64.610 -0.172 -11.920 1.00 0.00 C ATOM 4 O GLY A 1 65.053 0.360 -10.921 1.00 0.00 O ATOM 0 H1 GLY A 1 64.506 2.264 -14.253 1.00 0.00 H new ATOM 0 H2 GLY A 1 65.163 2.328 -12.689 1.00 0.00 H new ATOM 0 H3 GLY A 1 65.807 1.256 -13.837 1.00 0.00 H new ATOM 0 HA2 GLY A 1 63.053 1.110 -12.695 1.00 0.00 H new ATOM 0 HA3 GLY A 1 63.717 0.004 -13.880 1.00 0.00 H new ATOM 10 N SER A 2 64.656 -1.467 -12.075 1.00 0.00 N ATOM 11 CA SER A 2 65.261 -2.323 -11.015 1.00 0.00 C ATOM 12 C SER A 2 66.788 -2.242 -11.077 1.00 0.00 C ATOM 13 O SER A 2 67.360 -1.886 -12.088 1.00 0.00 O ATOM 14 CB SER A 2 64.786 -3.741 -11.334 1.00 0.00 C ATOM 15 OG SER A 2 63.676 -4.060 -10.505 1.00 0.00 O ATOM 0 H SER A 2 64.301 -1.969 -12.889 1.00 0.00 H new ATOM 0 HA SER A 2 64.967 -2.010 -10.013 1.00 0.00 H new ATOM 0 HB2 SER A 2 64.504 -3.815 -12.384 1.00 0.00 H new ATOM 0 HB3 SER A 2 65.594 -4.454 -11.170 1.00 0.00 H new ATOM 0 HG SER A 2 63.367 -4.968 -10.707 1.00 0.00 H new ATOM 21 N LEU A 3 67.453 -2.569 -10.002 1.00 0.00 N ATOM 22 CA LEU A 3 68.943 -2.512 -10.000 1.00 0.00 C ATOM 23 C LEU A 3 69.522 -3.852 -9.540 1.00 0.00 C ATOM 24 O LEU A 3 69.203 -4.344 -8.475 1.00 0.00 O ATOM 25 CB LEU A 3 69.294 -1.405 -9.004 1.00 0.00 C ATOM 26 CG LEU A 3 69.992 -0.259 -9.737 1.00 0.00 C ATOM 27 CD1 LEU A 3 68.944 0.703 -10.299 1.00 0.00 C ATOM 28 CD2 LEU A 3 70.901 0.491 -8.760 1.00 0.00 C ATOM 0 H LEU A 3 67.029 -2.873 -9.125 1.00 0.00 H new ATOM 0 HA LEU A 3 69.351 -2.314 -10.991 1.00 0.00 H new ATOM 0 HB2 LEU A 3 68.390 -1.041 -8.516 1.00 0.00 H new ATOM 0 HB3 LEU A 3 69.943 -1.798 -8.221 1.00 0.00 H new ATOM 0 HG LEU A 3 70.589 -0.662 -10.555 1.00 0.00 H new ATOM 0 HD11 LEU A 3 69.443 1.520 -10.821 1.00 0.00 H new ATOM 0 HD12 LEU A 3 68.296 0.169 -10.994 1.00 0.00 H new ATOM 0 HD13 LEU A 3 68.345 1.107 -9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 3 71.399 1.308 -9.281 1.00 0.00 H new ATOM 0 HD22 LEU A 3 70.303 0.893 -7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 3 71.649 -0.194 -8.360 1.00 0.00 H new ATOM 40 N GLN A 4 70.371 -4.447 -10.333 1.00 0.00 N ATOM 41 CA GLN A 4 70.966 -5.756 -9.939 1.00 0.00 C ATOM 42 C GLN A 4 72.458 -5.785 -10.278 1.00 0.00 C ATOM 43 O GLN A 4 72.872 -5.363 -11.339 1.00 0.00 O ATOM 44 CB GLN A 4 70.209 -6.799 -10.762 1.00 0.00 C ATOM 45 CG GLN A 4 70.028 -8.071 -9.932 1.00 0.00 C ATOM 46 CD GLN A 4 69.063 -9.016 -10.650 1.00 0.00 C ATOM 47 OE1 GLN A 4 68.881 -8.922 -11.848 1.00 0.00 O ATOM 48 NE2 GLN A 4 68.432 -9.930 -9.965 1.00 0.00 N ATOM 0 H GLN A 4 70.678 -4.084 -11.235 1.00 0.00 H new ATOM 0 HA GLN A 4 70.881 -5.941 -8.868 1.00 0.00 H new ATOM 0 HB2 GLN A 4 69.237 -6.406 -11.061 1.00 0.00 H new ATOM 0 HB3 GLN A 4 70.757 -7.024 -11.677 1.00 0.00 H new ATOM 0 HG2 GLN A 4 70.990 -8.561 -9.783 1.00 0.00 H new ATOM 0 HG3 GLN A 4 69.641 -7.821 -8.944 1.00 0.00 H new ATOM 0 HE21 GLN A 4 68.584 -10.010 -8.960 1.00 0.00 H new ATOM 0 HE22 GLN A 4 67.787 -10.565 -10.435 1.00 0.00 H new ATOM 57 N ASP A 5 73.269 -6.283 -9.384 1.00 0.00 N ATOM 58 CA ASP A 5 74.734 -6.341 -9.656 1.00 0.00 C ATOM 59 C ASP A 5 75.164 -7.789 -9.906 1.00 0.00 C ATOM 60 O ASP A 5 76.337 -8.089 -10.017 1.00 0.00 O ATOM 61 CB ASP A 5 75.394 -5.795 -8.389 1.00 0.00 C ATOM 62 CG ASP A 5 76.697 -5.085 -8.759 1.00 0.00 C ATOM 63 OD1 ASP A 5 77.032 -5.076 -9.932 1.00 0.00 O ATOM 64 OD2 ASP A 5 77.338 -4.561 -7.862 1.00 0.00 O ATOM 0 H ASP A 5 72.981 -6.652 -8.478 1.00 0.00 H new ATOM 0 HA ASP A 5 75.015 -5.768 -10.539 1.00 0.00 H new ATOM 0 HB2 ASP A 5 74.720 -5.102 -7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 5 75.596 -6.608 -7.692 1.00 0.00 H new ATOM 69 N ASN A 6 74.224 -8.689 -9.998 1.00 0.00 N ATOM 70 CA ASN A 6 74.576 -10.117 -10.242 1.00 0.00 C ATOM 71 C ASN A 6 75.536 -10.620 -9.160 1.00 0.00 C ATOM 72 O ASN A 6 76.649 -11.020 -9.440 1.00 0.00 O ATOM 73 CB ASN A 6 75.256 -10.129 -11.610 1.00 0.00 C ATOM 74 CG ASN A 6 74.268 -9.648 -12.674 1.00 0.00 C ATOM 75 OD1 ASN A 6 73.070 -9.719 -12.484 1.00 0.00 O ATOM 76 ND2 ASN A 6 74.722 -9.159 -13.796 1.00 0.00 N ATOM 0 H ASN A 6 73.226 -8.497 -9.915 1.00 0.00 H new ATOM 0 HA ASN A 6 73.702 -10.767 -10.216 1.00 0.00 H new ATOM 0 HB2 ASN A 6 76.135 -9.485 -11.597 1.00 0.00 H new ATOM 0 HB3 ASN A 6 75.602 -11.135 -11.848 1.00 0.00 H new ATOM 0 HD21 ASN A 6 74.071 -8.837 -14.512 1.00 0.00 H new ATOM 0 HD22 ASN A 6 75.728 -9.099 -13.956 1.00 0.00 H new ATOM 83 N SER A 7 75.113 -10.605 -7.926 1.00 0.00 N ATOM 84 CA SER A 7 76.002 -11.085 -6.828 1.00 0.00 C ATOM 85 C SER A 7 75.440 -12.374 -6.221 1.00 0.00 C ATOM 86 O SER A 7 74.279 -12.451 -5.871 1.00 0.00 O ATOM 87 CB SER A 7 76.001 -9.960 -5.795 1.00 0.00 C ATOM 88 OG SER A 7 77.295 -9.854 -5.216 1.00 0.00 O ATOM 0 H SER A 7 74.192 -10.282 -7.630 1.00 0.00 H new ATOM 0 HA SER A 7 77.009 -11.311 -7.180 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.723 -9.018 -6.267 1.00 0.00 H new ATOM 0 HB3 SER A 7 75.259 -10.161 -5.022 1.00 0.00 H new ATOM 0 HG SER A 7 77.299 -9.132 -4.554 1.00 0.00 H new ATOM 94 N SER A 8 76.254 -13.386 -6.095 1.00 0.00 N ATOM 95 CA SER A 8 75.764 -14.668 -5.512 1.00 0.00 C ATOM 96 C SER A 8 76.181 -14.776 -4.043 1.00 0.00 C ATOM 97 O SER A 8 77.101 -14.119 -3.599 1.00 0.00 O ATOM 98 CB SER A 8 76.436 -15.761 -6.341 1.00 0.00 C ATOM 99 OG SER A 8 75.844 -15.800 -7.634 1.00 0.00 O ATOM 0 H SER A 8 77.236 -13.381 -6.370 1.00 0.00 H new ATOM 0 HA SER A 8 74.677 -14.745 -5.539 1.00 0.00 H new ATOM 0 HB2 SER A 8 77.505 -15.566 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 8 76.326 -16.727 -5.848 1.00 0.00 H new ATOM 0 HG SER A 8 76.274 -16.499 -8.170 1.00 0.00 H new ATOM 105 N TYR A 9 75.511 -15.602 -3.286 1.00 0.00 N ATOM 106 CA TYR A 9 75.869 -15.753 -1.846 1.00 0.00 C ATOM 107 C TYR A 9 75.687 -14.422 -1.113 1.00 0.00 C ATOM 108 O TYR A 9 75.844 -13.366 -1.694 1.00 0.00 O ATOM 109 CB TYR A 9 77.340 -16.170 -1.844 1.00 0.00 C ATOM 110 CG TYR A 9 77.459 -17.592 -1.354 1.00 0.00 C ATOM 111 CD1 TYR A 9 76.823 -18.627 -2.049 1.00 0.00 C ATOM 112 CD2 TYR A 9 78.206 -17.877 -0.204 1.00 0.00 C ATOM 113 CE1 TYR A 9 76.933 -19.947 -1.594 1.00 0.00 C ATOM 114 CE2 TYR A 9 78.315 -19.197 0.251 1.00 0.00 C ATOM 115 CZ TYR A 9 77.679 -20.232 -0.444 1.00 0.00 C ATOM 116 OH TYR A 9 77.788 -21.533 0.004 1.00 0.00 O ATOM 0 H TYR A 9 74.731 -16.179 -3.602 1.00 0.00 H new ATOM 0 HA TYR A 9 75.238 -16.483 -1.339 1.00 0.00 H new ATOM 0 HB2 TYR A 9 77.755 -16.084 -2.848 1.00 0.00 H new ATOM 0 HB3 TYR A 9 77.917 -15.504 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 9 76.247 -18.408 -2.936 1.00 0.00 H new ATOM 0 HD2 TYR A 9 78.698 -17.079 0.332 1.00 0.00 H new ATOM 0 HE1 TYR A 9 76.442 -20.745 -2.131 1.00 0.00 H new ATOM 0 HE2 TYR A 9 78.890 -19.416 1.138 1.00 0.00 H new ATOM 0 HH TYR A 9 78.341 -21.555 0.813 1.00 0.00 H new ATOM 126 N PRO A 10 75.360 -14.523 0.146 1.00 0.00 N ATOM 127 CA PRO A 10 75.152 -13.312 0.976 1.00 0.00 C ATOM 128 C PRO A 10 76.444 -12.493 1.063 1.00 0.00 C ATOM 129 O PRO A 10 77.319 -12.606 0.228 1.00 0.00 O ATOM 130 CB PRO A 10 74.764 -13.861 2.351 1.00 0.00 C ATOM 131 CG PRO A 10 75.153 -15.305 2.338 1.00 0.00 C ATOM 132 CD PRO A 10 75.156 -15.757 0.903 1.00 0.00 C ATOM 0 HA PRO A 10 74.393 -12.646 0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 10 75.281 -13.324 3.146 1.00 0.00 H new ATOM 0 HB3 PRO A 10 73.695 -13.746 2.531 1.00 0.00 H new ATOM 0 HG2 PRO A 10 76.138 -15.441 2.785 1.00 0.00 H new ATOM 0 HG3 PRO A 10 74.451 -15.897 2.925 1.00 0.00 H new ATOM 0 HD2 PRO A 10 75.951 -16.478 0.713 1.00 0.00 H new ATOM 0 HD3 PRO A 10 74.216 -16.240 0.634 1.00 0.00 H new ATOM 140 N ASP A 11 76.567 -11.669 2.067 1.00 0.00 N ATOM 141 CA ASP A 11 77.795 -10.841 2.212 1.00 0.00 C ATOM 142 C ASP A 11 78.414 -11.043 3.587 1.00 0.00 C ATOM 143 O ASP A 11 79.142 -10.199 4.070 1.00 0.00 O ATOM 144 CB ASP A 11 77.327 -9.397 2.036 1.00 0.00 C ATOM 145 CG ASP A 11 76.310 -9.052 3.126 1.00 0.00 C ATOM 146 OD1 ASP A 11 76.722 -8.897 4.264 1.00 0.00 O ATOM 147 OD2 ASP A 11 75.138 -8.948 2.804 1.00 0.00 O ATOM 0 H ASP A 11 75.866 -11.534 2.796 1.00 0.00 H new ATOM 0 HA ASP A 11 78.559 -11.111 1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 11 78.178 -8.719 2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 11 76.878 -9.267 1.051 1.00 0.00 H new ATOM 152 N GLU A 12 78.167 -12.164 4.213 1.00 0.00 N ATOM 153 CA GLU A 12 78.798 -12.403 5.537 1.00 0.00 C ATOM 154 C GLU A 12 80.274 -12.049 5.399 1.00 0.00 C ATOM 155 O GLU A 12 80.740 -11.881 4.297 1.00 0.00 O ATOM 156 CB GLU A 12 78.616 -13.895 5.813 1.00 0.00 C ATOM 157 CG GLU A 12 79.164 -14.703 4.634 1.00 0.00 C ATOM 158 CD GLU A 12 79.999 -15.873 5.159 1.00 0.00 C ATOM 159 OE1 GLU A 12 79.931 -16.135 6.349 1.00 0.00 O ATOM 160 OE2 GLU A 12 80.691 -16.485 4.363 1.00 0.00 O ATOM 0 H GLU A 12 77.565 -12.912 3.869 1.00 0.00 H new ATOM 0 HA GLU A 12 78.369 -11.813 6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 12 79.136 -14.172 6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 12 77.561 -14.122 5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 12 78.343 -15.075 4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 12 79.774 -14.065 3.995 1.00 0.00 H new ATOM 167 N PRO A 13 80.953 -11.927 6.499 1.00 0.00 N ATOM 168 CA PRO A 13 82.392 -11.564 6.460 1.00 0.00 C ATOM 169 C PRO A 13 83.154 -12.409 5.426 1.00 0.00 C ATOM 170 O PRO A 13 83.792 -13.385 5.767 1.00 0.00 O ATOM 171 CB PRO A 13 82.873 -11.869 7.875 1.00 0.00 C ATOM 172 CG PRO A 13 81.651 -11.782 8.736 1.00 0.00 C ATOM 173 CD PRO A 13 80.458 -12.097 7.868 1.00 0.00 C ATOM 0 HA PRO A 13 82.557 -10.527 6.167 1.00 0.00 H new ATOM 0 HB2 PRO A 13 83.324 -12.860 7.932 1.00 0.00 H new ATOM 0 HB3 PRO A 13 83.631 -11.154 8.195 1.00 0.00 H new ATOM 0 HG2 PRO A 13 81.717 -12.485 9.566 1.00 0.00 H new ATOM 0 HG3 PRO A 13 81.557 -10.786 9.169 1.00 0.00 H new ATOM 0 HD2 PRO A 13 80.099 -13.112 8.038 1.00 0.00 H new ATOM 0 HD3 PRO A 13 79.625 -11.425 8.077 1.00 0.00 H new ATOM 181 N TRP A 14 83.104 -12.041 4.166 1.00 0.00 N ATOM 182 CA TRP A 14 83.839 -12.831 3.137 1.00 0.00 C ATOM 183 C TRP A 14 85.058 -12.037 2.642 1.00 0.00 C ATOM 184 O TRP A 14 85.749 -12.441 1.729 1.00 0.00 O ATOM 185 CB TRP A 14 82.806 -13.078 2.017 1.00 0.00 C ATOM 186 CG TRP A 14 83.107 -12.249 0.804 1.00 0.00 C ATOM 187 CD1 TRP A 14 83.515 -12.740 -0.388 1.00 0.00 C ATOM 188 CD2 TRP A 14 83.036 -10.802 0.649 1.00 0.00 C ATOM 189 NE1 TRP A 14 83.698 -11.686 -1.267 1.00 0.00 N ATOM 190 CE2 TRP A 14 83.415 -10.472 -0.675 1.00 0.00 C ATOM 191 CE3 TRP A 14 82.682 -9.753 1.518 1.00 0.00 C ATOM 192 CZ2 TRP A 14 83.442 -9.150 -1.120 1.00 0.00 C ATOM 193 CZ3 TRP A 14 82.709 -8.421 1.073 1.00 0.00 C ATOM 194 CH2 TRP A 14 83.087 -8.121 -0.244 1.00 0.00 C ATOM 0 H TRP A 14 82.590 -11.234 3.812 1.00 0.00 H new ATOM 0 HA TRP A 14 84.231 -13.774 3.517 1.00 0.00 H new ATOM 0 HB2 TRP A 14 82.805 -14.134 1.747 1.00 0.00 H new ATOM 0 HB3 TRP A 14 81.807 -12.842 2.383 1.00 0.00 H new ATOM 0 HD1 TRP A 14 83.672 -13.784 -0.617 1.00 0.00 H new ATOM 0 HE1 TRP A 14 84.005 -11.794 -2.234 1.00 0.00 H new ATOM 0 HE3 TRP A 14 82.388 -9.974 2.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 83.735 -8.924 -2.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 82.437 -7.623 1.749 1.00 0.00 H new ATOM 0 HH2 TRP A 14 83.104 -7.095 -0.581 1.00 0.00 H new ATOM 205 N ARG A 15 85.318 -10.906 3.242 1.00 0.00 N ATOM 206 CA ARG A 15 86.483 -10.077 2.815 1.00 0.00 C ATOM 207 C ARG A 15 87.787 -10.868 2.932 1.00 0.00 C ATOM 208 O ARG A 15 87.822 -12.066 2.731 1.00 0.00 O ATOM 209 CB ARG A 15 86.487 -8.871 3.765 1.00 0.00 C ATOM 210 CG ARG A 15 87.042 -9.259 5.145 1.00 0.00 C ATOM 211 CD ARG A 15 86.452 -10.595 5.605 1.00 0.00 C ATOM 212 NE ARG A 15 87.116 -10.877 6.907 1.00 0.00 N ATOM 213 CZ ARG A 15 86.561 -11.693 7.760 1.00 0.00 C ATOM 214 NH1 ARG A 15 86.561 -12.977 7.528 1.00 0.00 N ATOM 215 NH2 ARG A 15 86.007 -11.227 8.846 1.00 0.00 N ATOM 0 H ARG A 15 84.772 -10.519 4.012 1.00 0.00 H new ATOM 0 HA ARG A 15 86.404 -9.772 1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 15 87.090 -8.070 3.339 1.00 0.00 H new ATOM 0 HB3 ARG A 15 85.473 -8.485 3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 15 88.129 -9.331 5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 15 86.805 -8.481 5.871 1.00 0.00 H new ATOM 0 HD2 ARG A 15 85.370 -10.531 5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 15 86.650 -11.385 4.881 1.00 0.00 H new ATOM 0 HE ARG A 15 88.006 -10.432 7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 15 86.995 -13.342 6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 15 86.127 -13.616 8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 15 86.008 -10.223 9.029 1.00 0.00 H new ATOM 0 HH22 ARG A 15 85.573 -11.866 9.512 1.00 0.00 H new ATOM 229 N ILE A 16 88.855 -10.194 3.243 1.00 0.00 N ATOM 230 CA ILE A 16 90.176 -10.873 3.372 1.00 0.00 C ATOM 231 C ILE A 16 90.100 -12.046 4.361 1.00 0.00 C ATOM 232 O ILE A 16 89.056 -12.623 4.588 1.00 0.00 O ATOM 233 CB ILE A 16 91.117 -9.774 3.889 1.00 0.00 C ATOM 234 CG1 ILE A 16 92.522 -10.008 3.334 1.00 0.00 C ATOM 235 CG2 ILE A 16 91.162 -9.767 5.423 1.00 0.00 C ATOM 236 CD1 ILE A 16 92.629 -9.352 1.959 1.00 0.00 C ATOM 0 H ILE A 16 88.872 -9.189 3.416 1.00 0.00 H new ATOM 0 HA ILE A 16 90.517 -11.302 2.430 1.00 0.00 H new ATOM 0 HB ILE A 16 90.741 -8.807 3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 16 93.268 -9.590 4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 16 92.724 -11.076 3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 16 91.835 -8.980 5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 16 90.162 -9.584 5.816 1.00 0.00 H new ATOM 0 HG23 ILE A 16 91.521 -10.732 5.781 1.00 0.00 H new ATOM 0 HD11 ILE A 16 93.628 -9.514 1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 16 91.891 -9.791 1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 16 92.444 -8.282 2.051 1.00 0.00 H new ATOM 248 N THR A 17 91.209 -12.389 4.953 1.00 0.00 N ATOM 249 CA THR A 17 91.218 -13.511 5.931 1.00 0.00 C ATOM 250 C THR A 17 92.146 -13.176 7.100 1.00 0.00 C ATOM 251 O THR A 17 93.222 -13.725 7.231 1.00 0.00 O ATOM 252 CB THR A 17 91.747 -14.715 5.149 1.00 0.00 C ATOM 253 OG1 THR A 17 92.100 -15.749 6.056 1.00 0.00 O ATOM 254 CG2 THR A 17 92.977 -14.299 4.340 1.00 0.00 C ATOM 0 H THR A 17 92.112 -11.939 4.801 1.00 0.00 H new ATOM 0 HA THR A 17 90.231 -13.705 6.352 1.00 0.00 H new ATOM 0 HB THR A 17 90.974 -15.076 4.470 1.00 0.00 H new ATOM 0 HG1 THR A 17 92.779 -15.419 6.681 1.00 0.00 H new ATOM 0 HG21 THR A 17 93.353 -15.157 3.783 1.00 0.00 H new ATOM 0 HG22 THR A 17 92.703 -13.506 3.644 1.00 0.00 H new ATOM 0 HG23 THR A 17 93.752 -13.937 5.016 1.00 0.00 H new ATOM 262 N GLU A 18 91.735 -12.275 7.948 1.00 0.00 N ATOM 263 CA GLU A 18 92.586 -11.896 9.110 1.00 0.00 C ATOM 264 C GLU A 18 93.967 -11.441 8.633 1.00 0.00 C ATOM 265 O GLU A 18 94.906 -11.364 9.400 1.00 0.00 O ATOM 266 CB GLU A 18 92.691 -13.170 9.944 1.00 0.00 C ATOM 267 CG GLU A 18 91.755 -13.070 11.150 1.00 0.00 C ATOM 268 CD GLU A 18 91.711 -14.417 11.873 1.00 0.00 C ATOM 269 OE1 GLU A 18 91.927 -15.425 11.222 1.00 0.00 O ATOM 270 OE2 GLU A 18 91.461 -14.418 13.068 1.00 0.00 O ATOM 0 H GLU A 18 90.843 -11.783 7.886 1.00 0.00 H new ATOM 0 HA GLU A 18 92.167 -11.067 9.681 1.00 0.00 H new ATOM 0 HB2 GLU A 18 92.428 -14.037 9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 18 93.718 -13.314 10.279 1.00 0.00 H new ATOM 0 HG2 GLU A 18 92.102 -12.291 11.830 1.00 0.00 H new ATOM 0 HG3 GLU A 18 90.754 -12.787 10.825 1.00 0.00 H new ATOM 277 N GLU A 19 94.097 -11.133 7.371 1.00 0.00 N ATOM 278 CA GLU A 19 95.411 -10.676 6.848 1.00 0.00 C ATOM 279 C GLU A 19 95.377 -9.167 6.612 1.00 0.00 C ATOM 280 O GLU A 19 96.382 -8.490 6.703 1.00 0.00 O ATOM 281 CB GLU A 19 95.600 -11.426 5.528 1.00 0.00 C ATOM 282 CG GLU A 19 96.066 -12.855 5.814 1.00 0.00 C ATOM 283 CD GLU A 19 97.567 -12.853 6.113 1.00 0.00 C ATOM 284 OE1 GLU A 19 98.132 -11.776 6.204 1.00 0.00 O ATOM 285 OE2 GLU A 19 98.126 -13.930 6.247 1.00 0.00 O ATOM 0 H GLU A 19 93.347 -11.179 6.681 1.00 0.00 H new ATOM 0 HA GLU A 19 96.228 -10.874 7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 19 94.664 -11.442 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 19 96.333 -10.911 4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 19 95.516 -13.265 6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 19 95.856 -13.496 4.957 1.00 0.00 H new ATOM 292 N GLN A 20 94.223 -8.633 6.322 1.00 0.00 N ATOM 293 CA GLN A 20 94.126 -7.169 6.095 1.00 0.00 C ATOM 294 C GLN A 20 92.970 -6.590 6.922 1.00 0.00 C ATOM 295 O GLN A 20 92.830 -5.390 7.050 1.00 0.00 O ATOM 296 CB GLN A 20 93.903 -7.006 4.578 1.00 0.00 C ATOM 297 CG GLN A 20 92.428 -6.737 4.259 1.00 0.00 C ATOM 298 CD GLN A 20 92.284 -6.358 2.784 1.00 0.00 C ATOM 299 OE1 GLN A 20 91.409 -6.851 2.100 1.00 0.00 O ATOM 300 NE2 GLN A 20 93.113 -5.496 2.261 1.00 0.00 N ATOM 0 H GLN A 20 93.347 -9.148 6.233 1.00 0.00 H new ATOM 0 HA GLN A 20 95.019 -6.629 6.408 1.00 0.00 H new ATOM 0 HB2 GLN A 20 94.514 -6.184 4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 20 94.231 -7.908 4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 20 91.831 -7.622 4.478 1.00 0.00 H new ATOM 0 HG3 GLN A 20 92.049 -5.933 4.890 1.00 0.00 H new ATOM 0 HE21 GLN A 20 93.848 -5.082 2.835 1.00 0.00 H new ATOM 0 HE22 GLN A 20 93.026 -5.236 1.278 1.00 0.00 H new ATOM 309 N ARG A 21 92.153 -7.433 7.496 1.00 0.00 N ATOM 310 CA ARG A 21 91.026 -6.926 8.321 1.00 0.00 C ATOM 311 C ARG A 21 91.548 -6.585 9.718 1.00 0.00 C ATOM 312 O ARG A 21 91.005 -5.749 10.412 1.00 0.00 O ATOM 313 CB ARG A 21 90.015 -8.079 8.359 1.00 0.00 C ATOM 314 CG ARG A 21 90.363 -9.058 9.485 1.00 0.00 C ATOM 315 CD ARG A 21 89.312 -10.168 9.542 1.00 0.00 C ATOM 316 NE ARG A 21 88.801 -10.142 10.940 1.00 0.00 N ATOM 317 CZ ARG A 21 87.543 -9.880 11.170 1.00 0.00 C ATOM 318 NH1 ARG A 21 87.144 -8.642 11.280 1.00 0.00 N ATOM 319 NH2 ARG A 21 86.684 -10.855 11.289 1.00 0.00 N ATOM 0 H ARG A 21 92.220 -8.448 7.427 1.00 0.00 H new ATOM 0 HA ARG A 21 90.568 -6.021 7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 21 89.010 -7.685 8.509 1.00 0.00 H new ATOM 0 HB3 ARG A 21 90.013 -8.601 7.402 1.00 0.00 H new ATOM 0 HG2 ARG A 21 91.351 -9.487 9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 21 90.403 -8.532 10.439 1.00 0.00 H new ATOM 0 HD2 ARG A 21 88.510 -9.990 8.825 1.00 0.00 H new ATOM 0 HD3 ARG A 21 89.748 -11.137 9.299 1.00 0.00 H new ATOM 0 HE ARG A 21 89.434 -10.329 11.718 1.00 0.00 H new ATOM 0 HH11 ARG A 21 87.815 -7.880 11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 21 86.161 -8.437 11.460 1.00 0.00 H new ATOM 0 HH21 ARG A 21 86.995 -11.822 11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 21 85.701 -10.650 11.469 1.00 0.00 H new ATOM 333 N GLU A 22 92.615 -7.220 10.121 1.00 0.00 N ATOM 334 CA GLU A 22 93.194 -6.928 11.460 1.00 0.00 C ATOM 335 C GLU A 22 93.881 -5.564 11.422 1.00 0.00 C ATOM 336 O GLU A 22 93.696 -4.738 12.292 1.00 0.00 O ATOM 337 CB GLU A 22 94.216 -8.040 11.708 1.00 0.00 C ATOM 338 CG GLU A 22 93.491 -9.379 11.851 1.00 0.00 C ATOM 339 CD GLU A 22 92.893 -9.488 13.254 1.00 0.00 C ATOM 340 OE1 GLU A 22 93.584 -9.148 14.199 1.00 0.00 O ATOM 341 OE2 GLU A 22 91.753 -9.912 13.360 1.00 0.00 O ATOM 0 H GLU A 22 93.110 -7.929 9.579 1.00 0.00 H new ATOM 0 HA GLU A 22 92.442 -6.897 12.248 1.00 0.00 H new ATOM 0 HB2 GLU A 22 94.926 -8.086 10.883 1.00 0.00 H new ATOM 0 HB3 GLU A 22 94.789 -7.827 12.610 1.00 0.00 H new ATOM 0 HG2 GLU A 22 92.704 -9.460 11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 22 94.185 -10.201 11.675 1.00 0.00 H new ATOM 348 N TYR A 23 94.667 -5.321 10.407 1.00 0.00 N ATOM 349 CA TYR A 23 95.357 -4.005 10.302 1.00 0.00 C ATOM 350 C TYR A 23 94.321 -2.887 10.152 1.00 0.00 C ATOM 351 O TYR A 23 94.445 -1.830 10.738 1.00 0.00 O ATOM 352 CB TYR A 23 96.225 -4.110 9.047 1.00 0.00 C ATOM 353 CG TYR A 23 97.493 -3.312 9.238 1.00 0.00 C ATOM 354 CD1 TYR A 23 98.515 -3.805 10.059 1.00 0.00 C ATOM 355 CD2 TYR A 23 97.647 -2.078 8.595 1.00 0.00 C ATOM 356 CE1 TYR A 23 99.689 -3.064 10.235 1.00 0.00 C ATOM 357 CE2 TYR A 23 98.821 -1.338 8.771 1.00 0.00 C ATOM 358 CZ TYR A 23 99.843 -1.830 9.591 1.00 0.00 C ATOM 359 OH TYR A 23 101.002 -1.101 9.765 1.00 0.00 O ATOM 0 H TYR A 23 94.860 -5.976 9.649 1.00 0.00 H new ATOM 0 HA TYR A 23 95.953 -3.774 11.185 1.00 0.00 H new ATOM 0 HB2 TYR A 23 96.467 -5.154 8.847 1.00 0.00 H new ATOM 0 HB3 TYR A 23 95.677 -3.738 8.181 1.00 0.00 H new ATOM 0 HD1 TYR A 23 98.397 -4.757 10.556 1.00 0.00 H new ATOM 0 HD2 TYR A 23 96.859 -1.697 7.963 1.00 0.00 H new ATOM 0 HE1 TYR A 23 100.477 -3.444 10.868 1.00 0.00 H new ATOM 0 HE2 TYR A 23 98.939 -0.386 8.274 1.00 0.00 H new ATOM 0 HH TYR A 23 100.947 -0.271 9.248 1.00 0.00 H new ATOM 369 N TYR A 24 93.293 -3.116 9.377 1.00 0.00 N ATOM 370 CA TYR A 24 92.247 -2.068 9.200 1.00 0.00 C ATOM 371 C TYR A 24 91.501 -1.856 10.519 1.00 0.00 C ATOM 372 O TYR A 24 91.149 -0.748 10.875 1.00 0.00 O ATOM 373 CB TYR A 24 91.299 -2.619 8.133 1.00 0.00 C ATOM 374 CG TYR A 24 91.870 -2.362 6.758 1.00 0.00 C ATOM 375 CD1 TYR A 24 92.450 -1.124 6.456 1.00 0.00 C ATOM 376 CD2 TYR A 24 91.815 -3.366 5.783 1.00 0.00 C ATOM 377 CE1 TYR A 24 92.979 -0.892 5.180 1.00 0.00 C ATOM 378 CE2 TYR A 24 92.342 -3.133 4.508 1.00 0.00 C ATOM 379 CZ TYR A 24 92.925 -1.896 4.205 1.00 0.00 C ATOM 380 OH TYR A 24 93.445 -1.668 2.948 1.00 0.00 O ATOM 0 H TYR A 24 93.134 -3.981 8.861 1.00 0.00 H new ATOM 0 HA TYR A 24 92.669 -1.107 8.905 1.00 0.00 H new ATOM 0 HB2 TYR A 24 91.152 -3.689 8.282 1.00 0.00 H new ATOM 0 HB3 TYR A 24 90.321 -2.147 8.224 1.00 0.00 H new ATOM 0 HD1 TYR A 24 92.489 -0.348 7.206 1.00 0.00 H new ATOM 0 HD2 TYR A 24 91.366 -4.320 6.015 1.00 0.00 H new ATOM 0 HE1 TYR A 24 93.429 0.062 4.948 1.00 0.00 H new ATOM 0 HE2 TYR A 24 92.299 -3.908 3.757 1.00 0.00 H new ATOM 0 HH TYR A 24 93.326 -2.468 2.395 1.00 0.00 H new ATOM 390 N VAL A 25 91.262 -2.912 11.247 1.00 0.00 N ATOM 391 CA VAL A 25 90.544 -2.771 12.545 1.00 0.00 C ATOM 392 C VAL A 25 91.376 -1.916 13.504 1.00 0.00 C ATOM 393 O VAL A 25 90.846 -1.185 14.317 1.00 0.00 O ATOM 394 CB VAL A 25 90.399 -4.196 13.080 1.00 0.00 C ATOM 395 CG1 VAL A 25 90.030 -4.150 14.564 1.00 0.00 C ATOM 396 CG2 VAL A 25 89.294 -4.920 12.305 1.00 0.00 C ATOM 0 H VAL A 25 91.532 -3.864 11.000 1.00 0.00 H new ATOM 0 HA VAL A 25 89.575 -2.284 12.435 1.00 0.00 H new ATOM 0 HB VAL A 25 91.342 -4.728 12.956 1.00 0.00 H new ATOM 0 HG11 VAL A 25 89.927 -5.166 14.945 1.00 0.00 H new ATOM 0 HG12 VAL A 25 90.813 -3.633 15.118 1.00 0.00 H new ATOM 0 HG13 VAL A 25 89.087 -3.618 14.688 1.00 0.00 H new ATOM 0 HG21 VAL A 25 89.189 -5.936 12.685 1.00 0.00 H new ATOM 0 HG22 VAL A 25 88.352 -4.386 12.431 1.00 0.00 H new ATOM 0 HG23 VAL A 25 89.554 -4.953 11.247 1.00 0.00 H new ATOM 406 N ASN A 26 92.677 -1.996 13.409 1.00 0.00 N ATOM 407 CA ASN A 26 93.536 -1.179 14.310 1.00 0.00 C ATOM 408 C ASN A 26 93.125 0.292 14.216 1.00 0.00 C ATOM 409 O ASN A 26 93.342 1.069 15.125 1.00 0.00 O ATOM 410 CB ASN A 26 94.961 -1.376 13.792 1.00 0.00 C ATOM 411 CG ASN A 26 95.939 -1.360 14.968 1.00 0.00 C ATOM 412 OD1 ASN A 26 95.569 -1.666 16.085 1.00 0.00 O ATOM 413 ND2 ASN A 26 97.181 -1.014 14.765 1.00 0.00 N ATOM 0 H ASN A 26 93.179 -2.590 12.749 1.00 0.00 H new ATOM 0 HA ASN A 26 93.446 -1.474 15.355 1.00 0.00 H new ATOM 0 HB2 ASN A 26 95.037 -2.322 13.255 1.00 0.00 H new ATOM 0 HB3 ASN A 26 95.214 -0.587 13.084 1.00 0.00 H new ATOM 0 HD21 ASN A 26 97.840 -1.000 15.543 1.00 0.00 H new ATOM 0 HD22 ASN A 26 97.492 -0.757 13.828 1.00 0.00 H new ATOM 420 N GLN A 27 92.522 0.674 13.124 1.00 0.00 N ATOM 421 CA GLN A 27 92.082 2.085 12.964 1.00 0.00 C ATOM 422 C GLN A 27 90.687 2.254 13.579 1.00 0.00 C ATOM 423 O GLN A 27 90.457 3.128 14.390 1.00 0.00 O ATOM 424 CB GLN A 27 92.070 2.310 11.442 1.00 0.00 C ATOM 425 CG GLN A 27 90.927 3.247 11.045 1.00 0.00 C ATOM 426 CD GLN A 27 91.160 4.628 11.658 1.00 0.00 C ATOM 427 OE1 GLN A 27 91.962 4.778 12.558 1.00 0.00 O ATOM 428 NE2 GLN A 27 90.489 5.652 11.206 1.00 0.00 N ATOM 0 H GLN A 27 92.315 0.065 12.333 1.00 0.00 H new ATOM 0 HA GLN A 27 92.729 2.806 13.464 1.00 0.00 H new ATOM 0 HB2 GLN A 27 93.022 2.734 11.124 1.00 0.00 H new ATOM 0 HB3 GLN A 27 91.959 1.355 10.929 1.00 0.00 H new ATOM 0 HG2 GLN A 27 90.868 3.325 9.959 1.00 0.00 H new ATOM 0 HG3 GLN A 27 89.975 2.842 11.388 1.00 0.00 H new ATOM 0 HE21 GLN A 27 89.815 5.527 10.450 1.00 0.00 H new ATOM 0 HE22 GLN A 27 90.638 6.577 11.608 1.00 0.00 H new ATOM 437 N PHE A 28 89.758 1.414 13.205 1.00 0.00 N ATOM 438 CA PHE A 28 88.385 1.521 13.778 1.00 0.00 C ATOM 439 C PHE A 28 88.462 1.480 15.307 1.00 0.00 C ATOM 440 O PHE A 28 87.544 1.879 15.996 1.00 0.00 O ATOM 441 CB PHE A 28 87.632 0.302 13.236 1.00 0.00 C ATOM 442 CG PHE A 28 86.311 0.141 13.959 1.00 0.00 C ATOM 443 CD1 PHE A 28 86.285 -0.260 15.301 1.00 0.00 C ATOM 444 CD2 PHE A 28 85.111 0.387 13.282 1.00 0.00 C ATOM 445 CE1 PHE A 28 85.060 -0.415 15.962 1.00 0.00 C ATOM 446 CE2 PHE A 28 83.887 0.233 13.943 1.00 0.00 C ATOM 447 CZ PHE A 28 83.862 -0.167 15.283 1.00 0.00 C ATOM 0 H PHE A 28 89.890 0.661 12.530 1.00 0.00 H new ATOM 0 HA PHE A 28 87.886 2.452 13.507 1.00 0.00 H new ATOM 0 HB2 PHE A 28 87.458 0.419 12.166 1.00 0.00 H new ATOM 0 HB3 PHE A 28 88.237 -0.595 13.364 1.00 0.00 H new ATOM 0 HD1 PHE A 28 87.210 -0.450 15.826 1.00 0.00 H new ATOM 0 HD2 PHE A 28 85.130 0.696 12.247 1.00 0.00 H new ATOM 0 HE1 PHE A 28 85.040 -0.726 16.996 1.00 0.00 H new ATOM 0 HE2 PHE A 28 82.962 0.423 13.419 1.00 0.00 H new ATOM 0 HZ PHE A 28 82.918 -0.284 15.794 1.00 0.00 H new ATOM 457 N ARG A 29 89.553 1.002 15.842 1.00 0.00 N ATOM 458 CA ARG A 29 89.692 0.935 17.325 1.00 0.00 C ATOM 459 C ARG A 29 89.845 2.343 17.905 1.00 0.00 C ATOM 460 O ARG A 29 89.174 2.711 18.849 1.00 0.00 O ATOM 461 CB ARG A 29 90.959 0.114 17.570 1.00 0.00 C ATOM 462 CG ARG A 29 91.012 -0.316 19.038 1.00 0.00 C ATOM 463 CD ARG A 29 91.076 -1.842 19.125 1.00 0.00 C ATOM 464 NE ARG A 29 92.062 -2.123 20.204 1.00 0.00 N ATOM 465 CZ ARG A 29 91.654 -2.555 21.366 1.00 0.00 C ATOM 466 NH1 ARG A 29 91.284 -3.798 21.507 1.00 0.00 N ATOM 467 NH2 ARG A 29 91.615 -1.743 22.387 1.00 0.00 N ATOM 0 H ARG A 29 90.355 0.655 15.316 1.00 0.00 H new ATOM 0 HA ARG A 29 88.819 0.488 17.801 1.00 0.00 H new ATOM 0 HB2 ARG A 29 90.968 -0.763 16.923 1.00 0.00 H new ATOM 0 HB3 ARG A 29 91.841 0.704 17.320 1.00 0.00 H new ATOM 0 HG2 ARG A 29 91.883 0.123 19.524 1.00 0.00 H new ATOM 0 HG3 ARG A 29 90.133 0.052 19.567 1.00 0.00 H new ATOM 0 HD2 ARG A 29 90.100 -2.266 19.362 1.00 0.00 H new ATOM 0 HD3 ARG A 29 91.392 -2.279 18.178 1.00 0.00 H new ATOM 0 HE ARG A 29 93.057 -1.978 20.035 1.00 0.00 H new ATOM 0 HH11 ARG A 29 91.314 -4.433 20.709 1.00 0.00 H new ATOM 0 HH12 ARG A 29 90.965 -4.135 22.415 1.00 0.00 H new ATOM 0 HH21 ARG A 29 91.903 -0.771 22.277 1.00 0.00 H new ATOM 0 HH22 ARG A 29 91.296 -2.081 23.295 1.00 0.00 H new ATOM 481 N SER A 30 90.721 3.137 17.349 1.00 0.00 N ATOM 482 CA SER A 30 90.904 4.519 17.874 1.00 0.00 C ATOM 483 C SER A 30 89.544 5.207 18.001 1.00 0.00 C ATOM 484 O SER A 30 89.244 5.833 18.998 1.00 0.00 O ATOM 485 CB SER A 30 91.773 5.227 16.835 1.00 0.00 C ATOM 486 OG SER A 30 92.453 6.312 17.452 1.00 0.00 O ATOM 0 H SER A 30 91.315 2.889 16.558 1.00 0.00 H new ATOM 0 HA SER A 30 91.365 4.534 18.861 1.00 0.00 H new ATOM 0 HB2 SER A 30 92.492 4.528 16.408 1.00 0.00 H new ATOM 0 HB3 SER A 30 91.155 5.590 16.014 1.00 0.00 H new ATOM 0 HG SER A 30 93.013 6.767 16.789 1.00 0.00 H new ATOM 492 N LEU A 31 88.718 5.088 16.999 1.00 0.00 N ATOM 493 CA LEU A 31 87.373 5.725 17.060 1.00 0.00 C ATOM 494 C LEU A 31 86.444 4.890 17.943 1.00 0.00 C ATOM 495 O LEU A 31 85.471 5.382 18.480 1.00 0.00 O ATOM 496 CB LEU A 31 86.875 5.740 15.614 1.00 0.00 C ATOM 497 CG LEU A 31 87.973 6.288 14.699 1.00 0.00 C ATOM 498 CD1 LEU A 31 88.242 5.294 13.569 1.00 0.00 C ATOM 499 CD2 LEU A 31 87.519 7.623 14.105 1.00 0.00 C ATOM 0 H LEU A 31 88.917 4.576 16.139 1.00 0.00 H new ATOM 0 HA LEU A 31 87.404 6.728 17.486 1.00 0.00 H new ATOM 0 HB2 LEU A 31 86.598 4.733 15.304 1.00 0.00 H new ATOM 0 HB3 LEU A 31 85.979 6.356 15.533 1.00 0.00 H new ATOM 0 HG LEU A 31 88.886 6.436 15.276 1.00 0.00 H new ATOM 0 HD11 LEU A 31 89.024 5.686 12.918 1.00 0.00 H new ATOM 0 HD12 LEU A 31 88.564 4.342 13.991 1.00 0.00 H new ATOM 0 HD13 LEU A 31 87.330 5.145 12.991 1.00 0.00 H new ATOM 0 HD21 LEU A 31 88.299 8.015 13.453 1.00 0.00 H new ATOM 0 HD22 LEU A 31 86.606 7.473 13.529 1.00 0.00 H new ATOM 0 HD23 LEU A 31 87.328 8.333 14.910 1.00 0.00 H new ATOM 511 N GLN A 32 86.741 3.628 18.100 1.00 0.00 N ATOM 512 CA GLN A 32 85.885 2.756 18.947 1.00 0.00 C ATOM 513 C GLN A 32 86.759 1.917 19.885 1.00 0.00 C ATOM 514 O GLN A 32 87.299 0.904 19.488 1.00 0.00 O ATOM 515 CB GLN A 32 85.137 1.856 17.964 1.00 0.00 C ATOM 516 CG GLN A 32 83.632 2.108 18.082 1.00 0.00 C ATOM 517 CD GLN A 32 83.220 2.063 19.555 1.00 0.00 C ATOM 518 OE1 GLN A 32 83.971 1.609 20.395 1.00 0.00 O ATOM 519 NE2 GLN A 32 82.049 2.518 19.906 1.00 0.00 N ATOM 0 H GLN A 32 87.544 3.164 17.675 1.00 0.00 H new ATOM 0 HA GLN A 32 85.201 3.329 19.573 1.00 0.00 H new ATOM 0 HB2 GLN A 32 85.471 2.056 16.946 1.00 0.00 H new ATOM 0 HB3 GLN A 32 85.358 0.809 18.173 1.00 0.00 H new ATOM 0 HG2 GLN A 32 83.380 3.078 17.653 1.00 0.00 H new ATOM 0 HG3 GLN A 32 83.081 1.356 17.516 1.00 0.00 H new ATOM 0 HE21 GLN A 32 81.418 2.899 19.201 1.00 0.00 H new ATOM 0 HE22 GLN A 32 81.764 2.492 20.885 1.00 0.00 H new ATOM 528 N PRO A 33 86.868 2.371 21.105 1.00 0.00 N ATOM 529 CA PRO A 33 87.687 1.653 22.113 1.00 0.00 C ATOM 530 C PRO A 33 87.217 0.204 22.243 1.00 0.00 C ATOM 531 O PRO A 33 88.007 -0.708 22.377 1.00 0.00 O ATOM 532 CB PRO A 33 87.452 2.422 23.415 1.00 0.00 C ATOM 533 CG PRO A 33 86.325 3.373 23.143 1.00 0.00 C ATOM 534 CD PRO A 33 86.250 3.576 21.655 1.00 0.00 C ATOM 0 HA PRO A 33 88.743 1.613 21.845 1.00 0.00 H new ATOM 0 HB2 PRO A 33 87.199 1.742 24.228 1.00 0.00 H new ATOM 0 HB3 PRO A 33 88.351 2.960 23.717 1.00 0.00 H new ATOM 0 HG2 PRO A 33 85.385 2.972 23.522 1.00 0.00 H new ATOM 0 HG3 PRO A 33 86.494 4.322 23.651 1.00 0.00 H new ATOM 0 HD2 PRO A 33 85.219 3.686 21.318 1.00 0.00 H new ATOM 0 HD3 PRO A 33 86.784 4.475 21.347 1.00 0.00 H new ATOM 542 N ASP A 34 85.934 -0.013 22.202 1.00 0.00 N ATOM 543 CA ASP A 34 85.408 -1.403 22.321 1.00 0.00 C ATOM 544 C ASP A 34 86.159 -2.331 21.363 1.00 0.00 C ATOM 545 O ASP A 34 86.801 -1.880 20.435 1.00 0.00 O ATOM 546 CB ASP A 34 83.934 -1.306 21.929 1.00 0.00 C ATOM 547 CG ASP A 34 83.068 -1.325 23.188 1.00 0.00 C ATOM 548 OD1 ASP A 34 83.592 -1.654 24.239 1.00 0.00 O ATOM 549 OD2 ASP A 34 81.894 -1.010 23.082 1.00 0.00 O ATOM 0 H ASP A 34 85.225 0.711 22.091 1.00 0.00 H new ATOM 0 HA ASP A 34 85.534 -1.809 23.325 1.00 0.00 H new ATOM 0 HB2 ASP A 34 83.756 -0.389 21.367 1.00 0.00 H new ATOM 0 HB3 ASP A 34 83.665 -2.137 21.277 1.00 0.00 H new ATOM 554 N PRO A 35 86.050 -3.606 21.622 1.00 0.00 N ATOM 555 CA PRO A 35 86.726 -4.614 20.770 1.00 0.00 C ATOM 556 C PRO A 35 86.200 -4.532 19.334 1.00 0.00 C ATOM 557 O PRO A 35 86.942 -4.674 18.382 1.00 0.00 O ATOM 558 CB PRO A 35 86.359 -5.954 21.409 1.00 0.00 C ATOM 559 CG PRO A 35 85.216 -5.670 22.333 1.00 0.00 C ATOM 560 CD PRO A 35 85.296 -4.216 22.716 1.00 0.00 C ATOM 0 HA PRO A 35 87.804 -4.466 20.713 1.00 0.00 H new ATOM 0 HB2 PRO A 35 86.076 -6.684 20.650 1.00 0.00 H new ATOM 0 HB3 PRO A 35 87.206 -6.372 21.953 1.00 0.00 H new ATOM 0 HG2 PRO A 35 84.266 -5.887 21.845 1.00 0.00 H new ATOM 0 HG3 PRO A 35 85.272 -6.304 23.218 1.00 0.00 H new ATOM 0 HD2 PRO A 35 84.305 -3.773 22.814 1.00 0.00 H new ATOM 0 HD3 PRO A 35 85.801 -4.082 23.673 1.00 0.00 H new ATOM 568 N SER A 36 84.926 -4.301 19.172 1.00 0.00 N ATOM 569 CA SER A 36 84.353 -4.208 17.799 1.00 0.00 C ATOM 570 C SER A 36 83.234 -3.161 17.763 1.00 0.00 C ATOM 571 O SER A 36 83.402 -2.077 17.241 1.00 0.00 O ATOM 572 CB SER A 36 83.796 -5.601 17.505 1.00 0.00 C ATOM 573 OG SER A 36 84.825 -6.567 17.680 1.00 0.00 O ATOM 0 H SER A 36 84.257 -4.173 19.931 1.00 0.00 H new ATOM 0 HA SER A 36 85.096 -3.904 17.061 1.00 0.00 H new ATOM 0 HB2 SER A 36 82.961 -5.819 18.170 1.00 0.00 H new ATOM 0 HB3 SER A 36 83.411 -5.643 16.486 1.00 0.00 H new ATOM 0 HG SER A 36 84.470 -7.461 17.493 1.00 0.00 H new ATOM 579 N SER A 37 82.096 -3.477 18.319 1.00 0.00 N ATOM 580 CA SER A 37 80.969 -2.499 18.322 1.00 0.00 C ATOM 581 C SER A 37 80.820 -1.846 16.944 1.00 0.00 C ATOM 582 O SER A 37 81.300 -2.351 15.949 1.00 0.00 O ATOM 583 CB SER A 37 81.356 -1.456 19.369 1.00 0.00 C ATOM 584 OG SER A 37 80.411 -1.484 20.431 1.00 0.00 O ATOM 0 H SER A 37 81.897 -4.369 18.771 1.00 0.00 H new ATOM 0 HA SER A 37 80.014 -2.974 18.548 1.00 0.00 H new ATOM 0 HB2 SER A 37 82.356 -1.661 19.751 1.00 0.00 H new ATOM 0 HB3 SER A 37 81.384 -0.464 18.918 1.00 0.00 H new ATOM 0 HG SER A 37 80.872 -1.336 21.283 1.00 0.00 H new ATOM 590 N PHE A 38 80.152 -0.726 16.884 1.00 0.00 N ATOM 591 CA PHE A 38 79.960 -0.032 15.578 1.00 0.00 C ATOM 592 C PHE A 38 80.297 1.456 15.719 1.00 0.00 C ATOM 593 O PHE A 38 80.062 2.057 16.749 1.00 0.00 O ATOM 594 CB PHE A 38 78.474 -0.208 15.258 1.00 0.00 C ATOM 595 CG PHE A 38 77.651 0.514 16.298 1.00 0.00 C ATOM 596 CD1 PHE A 38 77.415 1.888 16.175 1.00 0.00 C ATOM 597 CD2 PHE A 38 77.124 -0.193 17.385 1.00 0.00 C ATOM 598 CE1 PHE A 38 76.651 2.556 17.141 1.00 0.00 C ATOM 599 CE2 PHE A 38 76.360 0.475 18.351 1.00 0.00 C ATOM 600 CZ PHE A 38 76.124 1.849 18.228 1.00 0.00 C ATOM 0 H PHE A 38 79.729 -0.260 17.687 1.00 0.00 H new ATOM 0 HA PHE A 38 80.602 -0.435 14.795 1.00 0.00 H new ATOM 0 HB2 PHE A 38 78.255 0.186 14.266 1.00 0.00 H new ATOM 0 HB3 PHE A 38 78.216 -1.267 15.244 1.00 0.00 H new ATOM 0 HD1 PHE A 38 77.822 2.433 15.336 1.00 0.00 H new ATOM 0 HD2 PHE A 38 77.306 -1.253 17.479 1.00 0.00 H new ATOM 0 HE1 PHE A 38 76.469 3.616 17.047 1.00 0.00 H new ATOM 0 HE2 PHE A 38 75.953 -0.070 19.190 1.00 0.00 H new ATOM 0 HZ PHE A 38 75.535 2.364 18.972 1.00 0.00 H new ATOM 610 N ILE A 39 80.836 2.059 14.695 1.00 0.00 N ATOM 611 CA ILE A 39 81.173 3.510 14.779 1.00 0.00 C ATOM 612 C ILE A 39 79.976 4.346 14.322 1.00 0.00 C ATOM 613 O ILE A 39 79.114 3.874 13.608 1.00 0.00 O ATOM 614 CB ILE A 39 82.361 3.699 13.832 1.00 0.00 C ATOM 615 CG1 ILE A 39 83.647 3.253 14.530 1.00 0.00 C ATOM 616 CG2 ILE A 39 82.488 5.175 13.443 1.00 0.00 C ATOM 617 CD1 ILE A 39 84.779 3.164 13.504 1.00 0.00 C ATOM 0 H ILE A 39 81.058 1.612 13.805 1.00 0.00 H new ATOM 0 HA ILE A 39 81.415 3.825 15.794 1.00 0.00 H new ATOM 0 HB ILE A 39 82.200 3.100 12.936 1.00 0.00 H new ATOM 0 HG12 ILE A 39 83.910 3.959 15.317 1.00 0.00 H new ATOM 0 HG13 ILE A 39 83.497 2.285 15.007 1.00 0.00 H new ATOM 0 HG21 ILE A 39 83.335 5.302 12.769 1.00 0.00 H new ATOM 0 HG22 ILE A 39 81.575 5.499 12.943 1.00 0.00 H new ATOM 0 HG23 ILE A 39 82.644 5.775 14.339 1.00 0.00 H new ATOM 0 HD11 ILE A 39 85.696 2.846 14.000 1.00 0.00 H new ATOM 0 HD12 ILE A 39 84.515 2.441 12.732 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.934 4.142 13.047 1.00 0.00 H new ATOM 629 N SER A 40 79.914 5.584 14.728 1.00 0.00 N ATOM 630 CA SER A 40 78.769 6.443 14.314 1.00 0.00 C ATOM 631 C SER A 40 78.749 6.603 12.792 1.00 0.00 C ATOM 632 O SER A 40 79.694 6.261 12.109 1.00 0.00 O ATOM 633 CB SER A 40 79.014 7.788 14.996 1.00 0.00 C ATOM 634 OG SER A 40 78.099 7.942 16.074 1.00 0.00 O ATOM 0 H SER A 40 80.604 6.037 15.327 1.00 0.00 H new ATOM 0 HA SER A 40 77.808 6.014 14.598 1.00 0.00 H new ATOM 0 HB2 SER A 40 80.039 7.841 15.363 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.890 8.600 14.280 1.00 0.00 H new ATOM 0 HG SER A 40 78.255 8.803 16.515 1.00 0.00 H new ATOM 640 N GLY A 41 77.678 7.119 12.256 1.00 0.00 N ATOM 641 CA GLY A 41 77.593 7.299 10.779 1.00 0.00 C ATOM 642 C GLY A 41 78.481 8.467 10.350 1.00 0.00 C ATOM 643 O GLY A 41 79.630 8.287 10.004 1.00 0.00 O ATOM 0 H GLY A 41 76.856 7.424 12.778 1.00 0.00 H new ATOM 0 HA2 GLY A 41 77.907 6.386 10.273 1.00 0.00 H new ATOM 0 HA3 GLY A 41 76.561 7.487 10.485 1.00 0.00 H new ATOM 647 N SER A 42 77.956 9.662 10.366 1.00 0.00 N ATOM 648 CA SER A 42 78.773 10.841 9.956 1.00 0.00 C ATOM 649 C SER A 42 80.183 10.735 10.542 1.00 0.00 C ATOM 650 O SER A 42 81.158 11.070 9.901 1.00 0.00 O ATOM 651 CB SER A 42 78.041 12.052 10.533 1.00 0.00 C ATOM 652 OG SER A 42 77.737 12.959 9.482 1.00 0.00 O ATOM 0 H SER A 42 76.998 9.873 10.645 1.00 0.00 H new ATOM 0 HA SER A 42 78.883 10.911 8.874 1.00 0.00 H new ATOM 0 HB2 SER A 42 77.125 11.735 11.032 1.00 0.00 H new ATOM 0 HB3 SER A 42 78.660 12.542 11.285 1.00 0.00 H new ATOM 0 HG SER A 42 77.266 13.737 9.847 1.00 0.00 H new ATOM 658 N VAL A 43 80.297 10.264 11.753 1.00 0.00 N ATOM 659 CA VAL A 43 81.644 10.130 12.375 1.00 0.00 C ATOM 660 C VAL A 43 82.549 9.281 11.479 1.00 0.00 C ATOM 661 O VAL A 43 83.640 9.679 11.124 1.00 0.00 O ATOM 662 CB VAL A 43 81.392 9.425 13.711 1.00 0.00 C ATOM 663 CG1 VAL A 43 82.697 8.816 14.228 1.00 0.00 C ATOM 664 CG2 VAL A 43 80.868 10.439 14.729 1.00 0.00 C ATOM 0 H VAL A 43 79.516 9.966 12.338 1.00 0.00 H new ATOM 0 HA VAL A 43 82.140 11.091 12.511 1.00 0.00 H new ATOM 0 HB VAL A 43 80.656 8.634 13.568 1.00 0.00 H new ATOM 0 HG11 VAL A 43 82.513 8.315 15.179 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.073 8.093 13.504 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.435 9.605 14.370 1.00 0.00 H new ATOM 0 HG21 VAL A 43 80.688 9.939 15.681 1.00 0.00 H new ATOM 0 HG22 VAL A 43 81.606 11.229 14.868 1.00 0.00 H new ATOM 0 HG23 VAL A 43 79.936 10.872 14.365 1.00 0.00 H new ATOM 674 N ALA A 44 82.101 8.112 11.111 1.00 0.00 N ATOM 675 CA ALA A 44 82.934 7.237 10.238 1.00 0.00 C ATOM 676 C ALA A 44 83.179 7.917 8.888 1.00 0.00 C ATOM 677 O ALA A 44 84.289 7.958 8.395 1.00 0.00 O ATOM 678 CB ALA A 44 82.109 5.963 10.057 1.00 0.00 C ATOM 0 H ALA A 44 81.195 7.725 11.377 1.00 0.00 H new ATOM 0 HA ALA A 44 83.913 7.031 10.670 1.00 0.00 H new ATOM 0 HB1 ALA A 44 82.654 5.263 9.424 1.00 0.00 H new ATOM 0 HB2 ALA A 44 81.927 5.506 11.030 1.00 0.00 H new ATOM 0 HB3 ALA A 44 81.156 6.210 9.588 1.00 0.00 H new ATOM 684 N LYS A 45 82.152 8.454 8.290 1.00 0.00 N ATOM 685 CA LYS A 45 82.324 9.135 6.975 1.00 0.00 C ATOM 686 C LYS A 45 83.303 10.301 7.114 1.00 0.00 C ATOM 687 O LYS A 45 83.807 10.823 6.140 1.00 0.00 O ATOM 688 CB LYS A 45 80.932 9.650 6.615 1.00 0.00 C ATOM 689 CG LYS A 45 80.530 9.107 5.247 1.00 0.00 C ATOM 690 CD LYS A 45 79.685 10.149 4.512 1.00 0.00 C ATOM 691 CE LYS A 45 78.206 9.931 4.841 1.00 0.00 C ATOM 692 NZ LYS A 45 77.586 11.281 4.729 1.00 0.00 N ATOM 0 H LYS A 45 81.200 8.451 8.655 1.00 0.00 H new ATOM 0 HA LYS A 45 82.724 8.469 6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.210 9.337 7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 45 80.927 10.740 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.419 8.867 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 45 79.966 8.182 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 45 79.990 11.153 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 45 79.845 10.070 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 45 77.747 9.226 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 45 78.080 9.520 5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 76.570 11.215 4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 78.039 11.928 5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 77.716 11.643 3.763 1.00 0.00 H new ATOM 706 N ASN A 46 83.568 10.712 8.320 1.00 0.00 N ATOM 707 CA ASN A 46 84.507 11.847 8.533 1.00 0.00 C ATOM 708 C ASN A 46 85.932 11.442 8.149 1.00 0.00 C ATOM 709 O ASN A 46 86.665 12.208 7.555 1.00 0.00 O ATOM 710 CB ASN A 46 84.423 12.154 10.028 1.00 0.00 C ATOM 711 CG ASN A 46 84.883 13.590 10.284 1.00 0.00 C ATOM 712 OD1 ASN A 46 85.476 14.213 9.425 1.00 0.00 O ATOM 713 ND2 ASN A 46 84.635 14.146 11.439 1.00 0.00 N ATOM 0 H ASN A 46 83.174 10.310 9.171 1.00 0.00 H new ATOM 0 HA ASN A 46 84.250 12.712 7.922 1.00 0.00 H new ATOM 0 HB2 ASN A 46 83.400 12.021 10.380 1.00 0.00 H new ATOM 0 HB3 ASN A 46 85.046 11.457 10.588 1.00 0.00 H new ATOM 0 HD21 ASN A 46 84.939 15.103 11.620 1.00 0.00 H new ATOM 0 HD22 ASN A 46 84.137 13.624 12.160 1.00 0.00 H new ATOM 720 N PHE A 47 86.338 10.248 8.488 1.00 0.00 N ATOM 721 CA PHE A 47 87.720 9.816 8.143 1.00 0.00 C ATOM 722 C PHE A 47 87.740 9.027 6.829 1.00 0.00 C ATOM 723 O PHE A 47 88.738 8.999 6.139 1.00 0.00 O ATOM 724 CB PHE A 47 88.184 8.962 9.324 1.00 0.00 C ATOM 725 CG PHE A 47 87.611 7.572 9.225 1.00 0.00 C ATOM 726 CD1 PHE A 47 88.130 6.665 8.296 1.00 0.00 C ATOM 727 CD2 PHE A 47 86.569 7.185 10.076 1.00 0.00 C ATOM 728 CE1 PHE A 47 87.606 5.372 8.214 1.00 0.00 C ATOM 729 CE2 PHE A 47 86.047 5.891 9.997 1.00 0.00 C ATOM 730 CZ PHE A 47 86.565 4.984 9.065 1.00 0.00 C ATOM 0 H PHE A 47 85.775 9.558 8.986 1.00 0.00 H new ATOM 0 HA PHE A 47 88.384 10.666 7.984 1.00 0.00 H new ATOM 0 HB2 PHE A 47 89.273 8.913 9.340 1.00 0.00 H new ATOM 0 HB3 PHE A 47 87.872 9.425 10.260 1.00 0.00 H new ATOM 0 HD1 PHE A 47 88.936 6.964 7.642 1.00 0.00 H new ATOM 0 HD2 PHE A 47 86.169 7.886 10.793 1.00 0.00 H new ATOM 0 HE1 PHE A 47 88.004 4.672 7.494 1.00 0.00 H new ATOM 0 HE2 PHE A 47 85.245 5.591 10.655 1.00 0.00 H new ATOM 0 HZ PHE A 47 86.161 3.984 9.003 1.00 0.00 H new ATOM 740 N PHE A 48 86.657 8.389 6.465 1.00 0.00 N ATOM 741 CA PHE A 48 86.649 7.622 5.183 1.00 0.00 C ATOM 742 C PHE A 48 87.067 8.528 4.019 1.00 0.00 C ATOM 743 O PHE A 48 87.477 8.062 2.974 1.00 0.00 O ATOM 744 CB PHE A 48 85.203 7.165 4.999 1.00 0.00 C ATOM 745 CG PHE A 48 84.948 5.949 5.852 1.00 0.00 C ATOM 746 CD1 PHE A 48 85.889 4.915 5.897 1.00 0.00 C ATOM 747 CD2 PHE A 48 83.772 5.858 6.602 1.00 0.00 C ATOM 748 CE1 PHE A 48 85.654 3.789 6.692 1.00 0.00 C ATOM 749 CE2 PHE A 48 83.536 4.734 7.397 1.00 0.00 C ATOM 750 CZ PHE A 48 84.476 3.698 7.444 1.00 0.00 C ATOM 0 H PHE A 48 85.785 8.366 6.994 1.00 0.00 H new ATOM 0 HA PHE A 48 87.345 6.784 5.205 1.00 0.00 H new ATOM 0 HB2 PHE A 48 84.519 7.967 5.276 1.00 0.00 H new ATOM 0 HB3 PHE A 48 85.014 6.933 3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 48 86.797 4.986 5.317 1.00 0.00 H new ATOM 0 HD2 PHE A 48 83.046 6.657 6.567 1.00 0.00 H new ATOM 0 HE1 PHE A 48 86.380 2.990 6.726 1.00 0.00 H new ATOM 0 HE2 PHE A 48 82.627 4.664 7.976 1.00 0.00 H new ATOM 0 HZ PHE A 48 84.293 2.830 8.059 1.00 0.00 H new ATOM 760 N THR A 49 86.956 9.816 4.188 1.00 0.00 N ATOM 761 CA THR A 49 87.337 10.755 3.089 1.00 0.00 C ATOM 762 C THR A 49 88.714 10.396 2.525 1.00 0.00 C ATOM 763 O THR A 49 89.050 10.748 1.411 1.00 0.00 O ATOM 764 CB THR A 49 87.370 12.135 3.745 1.00 0.00 C ATOM 765 OG1 THR A 49 87.557 13.127 2.746 1.00 0.00 O ATOM 766 CG2 THR A 49 88.521 12.196 4.750 1.00 0.00 C ATOM 0 H THR A 49 86.618 10.262 5.040 1.00 0.00 H new ATOM 0 HA THR A 49 86.638 10.713 2.254 1.00 0.00 H new ATOM 0 HB THR A 49 86.428 12.315 4.264 1.00 0.00 H new ATOM 0 HG1 THR A 49 87.577 14.013 3.164 1.00 0.00 H new ATOM 0 HG21 THR A 49 88.544 13.180 5.217 1.00 0.00 H new ATOM 0 HG22 THR A 49 88.376 11.434 5.516 1.00 0.00 H new ATOM 0 HG23 THR A 49 89.464 12.017 4.234 1.00 0.00 H new ATOM 774 N LYS A 50 89.517 9.701 3.282 1.00 0.00 N ATOM 775 CA LYS A 50 90.873 9.325 2.790 1.00 0.00 C ATOM 776 C LYS A 50 90.760 8.359 1.607 1.00 0.00 C ATOM 777 O LYS A 50 90.716 7.157 1.778 1.00 0.00 O ATOM 778 CB LYS A 50 91.547 8.644 3.978 1.00 0.00 C ATOM 779 CG LYS A 50 90.753 7.399 4.370 1.00 0.00 C ATOM 780 CD LYS A 50 91.628 6.158 4.192 1.00 0.00 C ATOM 781 CE LYS A 50 91.302 5.147 5.292 1.00 0.00 C ATOM 782 NZ LYS A 50 92.118 5.577 6.462 1.00 0.00 N ATOM 0 H LYS A 50 89.292 9.376 4.222 1.00 0.00 H new ATOM 0 HA LYS A 50 91.440 10.187 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 50 92.570 8.370 3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 50 91.604 9.332 4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 50 90.421 7.477 5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 50 89.858 7.317 3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 50 91.455 5.714 3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 50 92.682 6.433 4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 50 90.238 5.151 5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 50 91.556 4.133 4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 92.767 4.811 6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 92.667 6.423 6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 91.490 5.797 7.261 1.00 0.00 H new ATOM 796 N SER A 51 90.718 8.876 0.411 1.00 0.00 N ATOM 797 CA SER A 51 90.611 7.989 -0.783 1.00 0.00 C ATOM 798 C SER A 51 90.633 8.827 -2.065 1.00 0.00 C ATOM 799 O SER A 51 91.578 8.790 -2.826 1.00 0.00 O ATOM 800 CB SER A 51 89.269 7.274 -0.628 1.00 0.00 C ATOM 801 OG SER A 51 89.332 6.010 -1.276 1.00 0.00 O ATOM 0 H SER A 51 90.753 9.875 0.208 1.00 0.00 H new ATOM 0 HA SER A 51 91.439 7.284 -0.851 1.00 0.00 H new ATOM 0 HB2 SER A 51 89.034 7.143 0.428 1.00 0.00 H new ATOM 0 HB3 SER A 51 88.470 7.877 -1.060 1.00 0.00 H new ATOM 0 HG SER A 51 89.953 6.061 -2.032 1.00 0.00 H new ATOM 807 N LYS A 52 89.598 9.585 -2.306 1.00 0.00 N ATOM 808 CA LYS A 52 89.562 10.428 -3.536 1.00 0.00 C ATOM 809 C LYS A 52 90.796 11.333 -3.592 1.00 0.00 C ATOM 810 O LYS A 52 91.285 11.665 -4.653 1.00 0.00 O ATOM 811 CB LYS A 52 88.286 11.266 -3.413 1.00 0.00 C ATOM 812 CG LYS A 52 88.154 11.800 -1.984 1.00 0.00 C ATOM 813 CD LYS A 52 88.022 13.323 -2.016 1.00 0.00 C ATOM 814 CE LYS A 52 88.507 13.904 -0.686 1.00 0.00 C ATOM 815 NZ LYS A 52 87.718 15.154 -0.502 1.00 0.00 N ATOM 0 H LYS A 52 88.777 9.657 -1.706 1.00 0.00 H new ATOM 0 HA LYS A 52 89.565 9.828 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 52 88.315 12.095 -4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 52 87.416 10.660 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 52 87.283 11.359 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 52 89.025 11.513 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 52 88.607 13.732 -2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 52 86.984 13.605 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 52 88.339 13.206 0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 52 89.577 14.112 -0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 87.994 15.611 0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 87.904 15.801 -1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 86.704 14.924 -0.473 1.00 0.00 H new ATOM 829 N LEU A 53 91.301 11.734 -2.458 1.00 0.00 N ATOM 830 CA LEU A 53 92.504 12.616 -2.445 1.00 0.00 C ATOM 831 C LEU A 53 92.377 13.707 -3.513 1.00 0.00 C ATOM 832 O LEU A 53 93.361 14.197 -4.032 1.00 0.00 O ATOM 833 CB LEU A 53 93.676 11.687 -2.765 1.00 0.00 C ATOM 834 CG LEU A 53 94.112 10.961 -1.492 1.00 0.00 C ATOM 835 CD1 LEU A 53 94.319 9.476 -1.797 1.00 0.00 C ATOM 836 CD2 LEU A 53 95.426 11.564 -0.987 1.00 0.00 C ATOM 0 H LEU A 53 90.933 11.489 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 53 92.632 13.124 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 53 93.384 10.964 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 53 94.508 12.261 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 53 93.342 11.072 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 53 94.630 8.958 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 53 93.385 9.045 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 53 95.089 9.365 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 53 95.738 11.047 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 53 96.195 11.452 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 53 95.281 12.622 -0.771 1.00 0.00 H new ATOM 848 N SER A 54 91.175 14.093 -3.842 1.00 0.00 N ATOM 849 CA SER A 54 90.992 15.154 -4.874 1.00 0.00 C ATOM 850 C SER A 54 89.505 15.489 -5.032 1.00 0.00 C ATOM 851 O SER A 54 88.968 16.314 -4.320 1.00 0.00 O ATOM 852 CB SER A 54 91.552 14.554 -6.162 1.00 0.00 C ATOM 853 OG SER A 54 92.942 14.838 -6.247 1.00 0.00 O ATOM 0 H SER A 54 90.313 13.721 -3.442 1.00 0.00 H new ATOM 0 HA SER A 54 91.496 16.083 -4.607 1.00 0.00 H new ATOM 0 HB2 SER A 54 91.388 13.477 -6.176 1.00 0.00 H new ATOM 0 HB3 SER A 54 91.031 14.967 -7.026 1.00 0.00 H new ATOM 0 HG SER A 54 93.425 14.311 -5.577 1.00 0.00 H new ATOM 859 N ILE A 55 88.835 14.858 -5.959 1.00 0.00 N ATOM 860 CA ILE A 55 87.386 15.148 -6.158 1.00 0.00 C ATOM 861 C ILE A 55 86.561 14.537 -5.021 1.00 0.00 C ATOM 862 O ILE A 55 86.722 13.378 -4.692 1.00 0.00 O ATOM 863 CB ILE A 55 87.032 14.488 -7.491 1.00 0.00 C ATOM 864 CG1 ILE A 55 85.544 14.688 -7.780 1.00 0.00 C ATOM 865 CG2 ILE A 55 87.341 12.992 -7.416 1.00 0.00 C ATOM 866 CD1 ILE A 55 85.256 14.334 -9.240 1.00 0.00 C ATOM 0 H ILE A 55 89.228 14.156 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 55 87.176 16.217 -6.162 1.00 0.00 H new ATOM 0 HB ILE A 55 87.620 14.941 -8.289 1.00 0.00 H new ATOM 0 HG12 ILE A 55 84.947 14.061 -7.118 1.00 0.00 H new ATOM 0 HG13 ILE A 55 85.260 15.722 -7.582 1.00 0.00 H new ATOM 0 HG21 ILE A 55 87.089 12.520 -8.366 1.00 0.00 H new ATOM 0 HG22 ILE A 55 88.402 12.849 -7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 55 86.753 12.538 -6.618 1.00 0.00 H new ATOM 0 HD11 ILE A 55 84.195 14.476 -9.446 1.00 0.00 H new ATOM 0 HD12 ILE A 55 85.843 14.980 -9.893 1.00 0.00 H new ATOM 0 HD13 ILE A 55 85.524 13.293 -9.422 1.00 0.00 H new ATOM 878 N PRO A 56 85.699 15.343 -4.458 1.00 0.00 N ATOM 879 CA PRO A 56 84.836 14.876 -3.344 1.00 0.00 C ATOM 880 C PRO A 56 83.910 13.753 -3.821 1.00 0.00 C ATOM 881 O PRO A 56 83.003 13.971 -4.598 1.00 0.00 O ATOM 882 CB PRO A 56 84.027 16.114 -2.953 1.00 0.00 C ATOM 883 CG PRO A 56 84.162 17.068 -4.099 1.00 0.00 C ATOM 884 CD PRO A 56 85.453 16.744 -4.803 1.00 0.00 C ATOM 0 HA PRO A 56 85.408 14.471 -2.509 1.00 0.00 H new ATOM 0 HB2 PRO A 56 82.982 15.859 -2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 56 84.407 16.554 -2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 56 83.318 16.971 -4.781 1.00 0.00 H new ATOM 0 HG3 PRO A 56 84.167 18.098 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 56 85.366 16.881 -5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 56 86.265 17.387 -4.465 1.00 0.00 H new ATOM 892 N GLU A 57 84.134 12.552 -3.361 1.00 0.00 N ATOM 893 CA GLU A 57 83.267 11.417 -3.788 1.00 0.00 C ATOM 894 C GLU A 57 83.014 10.471 -2.612 1.00 0.00 C ATOM 895 O GLU A 57 83.081 9.265 -2.746 1.00 0.00 O ATOM 896 CB GLU A 57 84.055 10.706 -4.888 1.00 0.00 C ATOM 897 CG GLU A 57 83.248 10.726 -6.189 1.00 0.00 C ATOM 898 CD GLU A 57 83.767 9.637 -7.130 1.00 0.00 C ATOM 899 OE1 GLU A 57 84.584 8.844 -6.693 1.00 0.00 O ATOM 900 OE2 GLU A 57 83.338 9.615 -8.271 1.00 0.00 O ATOM 0 H GLU A 57 84.879 12.308 -2.709 1.00 0.00 H new ATOM 0 HA GLU A 57 82.292 11.754 -4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 57 85.017 11.197 -5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 57 84.264 9.678 -4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 57 82.191 10.564 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 57 83.331 11.703 -6.666 1.00 0.00 H new ATOM 907 N LEU A 58 82.721 11.007 -1.458 1.00 0.00 N ATOM 908 CA LEU A 58 82.462 10.136 -0.276 1.00 0.00 C ATOM 909 C LEU A 58 81.022 9.617 -0.310 1.00 0.00 C ATOM 910 O LEU A 58 80.578 8.930 0.590 1.00 0.00 O ATOM 911 CB LEU A 58 82.679 11.041 0.939 1.00 0.00 C ATOM 912 CG LEU A 58 84.086 10.822 1.494 1.00 0.00 C ATOM 913 CD1 LEU A 58 84.345 11.809 2.633 1.00 0.00 C ATOM 914 CD2 LEU A 58 84.205 9.390 2.024 1.00 0.00 C ATOM 0 H LEU A 58 82.650 12.009 -1.283 1.00 0.00 H new ATOM 0 HA LEU A 58 83.114 9.263 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 58 82.547 12.085 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 58 81.936 10.822 1.706 1.00 0.00 H new ATOM 0 HG LEU A 58 84.818 10.981 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 58 85.349 11.653 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 58 84.258 12.829 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 58 83.614 11.650 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 58 85.208 9.231 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 58 83.473 9.233 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 58 84.019 8.685 1.213 1.00 0.00 H new ATOM 926 N SER A 59 80.291 9.939 -1.341 1.00 0.00 N ATOM 927 CA SER A 59 78.880 9.465 -1.434 1.00 0.00 C ATOM 928 C SER A 59 78.843 7.954 -1.683 1.00 0.00 C ATOM 929 O SER A 59 78.065 7.238 -1.082 1.00 0.00 O ATOM 930 CB SER A 59 78.288 10.219 -2.623 1.00 0.00 C ATOM 931 OG SER A 59 78.206 11.603 -2.308 1.00 0.00 O ATOM 0 H SER A 59 80.609 10.510 -2.124 1.00 0.00 H new ATOM 0 HA SER A 59 78.322 9.648 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 59 78.908 10.072 -3.507 1.00 0.00 H new ATOM 0 HB3 SER A 59 77.298 9.829 -2.859 1.00 0.00 H new ATOM 0 HG SER A 59 77.828 12.090 -3.070 1.00 0.00 H new ATOM 937 N TYR A 60 79.673 7.463 -2.562 1.00 0.00 N ATOM 938 CA TYR A 60 79.676 5.998 -2.841 1.00 0.00 C ATOM 939 C TYR A 60 80.409 5.249 -1.723 1.00 0.00 C ATOM 940 O TYR A 60 80.107 4.109 -1.427 1.00 0.00 O ATOM 941 CB TYR A 60 80.397 5.848 -4.188 1.00 0.00 C ATOM 942 CG TYR A 60 81.895 5.819 -3.984 1.00 0.00 C ATOM 943 CD1 TYR A 60 82.546 4.601 -3.754 1.00 0.00 C ATOM 944 CD2 TYR A 60 82.632 7.009 -4.027 1.00 0.00 C ATOM 945 CE1 TYR A 60 83.931 4.571 -3.567 1.00 0.00 C ATOM 946 CE2 TYR A 60 84.020 6.979 -3.839 1.00 0.00 C ATOM 947 CZ TYR A 60 84.669 5.760 -3.609 1.00 0.00 C ATOM 948 OH TYR A 60 86.036 5.730 -3.425 1.00 0.00 O ATOM 0 H TYR A 60 80.347 8.010 -3.098 1.00 0.00 H new ATOM 0 HA TYR A 60 78.671 5.578 -2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 60 80.073 4.931 -4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 60 80.129 6.675 -4.845 1.00 0.00 H new ATOM 0 HD1 TYR A 60 81.977 3.683 -3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 60 82.131 7.949 -4.205 1.00 0.00 H new ATOM 0 HE1 TYR A 60 84.432 3.631 -3.390 1.00 0.00 H new ATOM 0 HE2 TYR A 60 84.589 7.896 -3.871 1.00 0.00 H new ATOM 0 HH TYR A 60 86.447 5.171 -4.117 1.00 0.00 H new ATOM 958 N ILE A 61 81.364 5.881 -1.096 1.00 0.00 N ATOM 959 CA ILE A 61 82.104 5.202 0.006 1.00 0.00 C ATOM 960 C ILE A 61 81.141 4.863 1.145 1.00 0.00 C ATOM 961 O ILE A 61 81.057 3.735 1.587 1.00 0.00 O ATOM 962 CB ILE A 61 83.149 6.217 0.469 1.00 0.00 C ATOM 963 CG1 ILE A 61 84.292 6.267 -0.548 1.00 0.00 C ATOM 964 CG2 ILE A 61 83.698 5.800 1.834 1.00 0.00 C ATOM 965 CD1 ILE A 61 84.894 4.870 -0.706 1.00 0.00 C ATOM 0 H ILE A 61 81.663 6.835 -1.298 1.00 0.00 H new ATOM 0 HA ILE A 61 82.564 4.268 -0.315 1.00 0.00 H new ATOM 0 HB ILE A 61 82.689 7.202 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.923 6.627 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 61 85.057 6.969 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 61 84.443 6.524 2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 61 82.884 5.763 2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 61 84.159 4.815 1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 61 85.708 4.904 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 61 85.278 4.528 0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 61 84.126 4.180 -1.056 1.00 0.00 H new ATOM 977 N TRP A 62 80.410 5.835 1.619 1.00 0.00 N ATOM 978 CA TRP A 62 79.447 5.571 2.725 1.00 0.00 C ATOM 979 C TRP A 62 78.309 4.682 2.220 1.00 0.00 C ATOM 980 O TRP A 62 77.768 3.877 2.950 1.00 0.00 O ATOM 981 CB TRP A 62 78.916 6.949 3.125 1.00 0.00 C ATOM 982 CG TRP A 62 77.692 6.790 3.968 1.00 0.00 C ATOM 983 CD1 TRP A 62 76.423 6.969 3.534 1.00 0.00 C ATOM 984 CD2 TRP A 62 77.597 6.427 5.375 1.00 0.00 C ATOM 985 NE1 TRP A 62 75.554 6.737 4.586 1.00 0.00 N ATOM 986 CE2 TRP A 62 76.231 6.399 5.742 1.00 0.00 C ATOM 987 CE3 TRP A 62 78.554 6.120 6.359 1.00 0.00 C ATOM 988 CZ2 TRP A 62 75.827 6.080 7.039 1.00 0.00 C ATOM 989 CZ3 TRP A 62 78.152 5.798 7.665 1.00 0.00 C ATOM 990 CH2 TRP A 62 76.791 5.778 8.004 1.00 0.00 C ATOM 0 H TRP A 62 80.438 6.800 1.288 1.00 0.00 H new ATOM 0 HA TRP A 62 79.909 5.055 3.567 1.00 0.00 H new ATOM 0 HB2 TRP A 62 79.680 7.498 3.675 1.00 0.00 H new ATOM 0 HB3 TRP A 62 78.683 7.533 2.234 1.00 0.00 H new ATOM 0 HD1 TRP A 62 76.135 7.247 2.531 1.00 0.00 H new ATOM 0 HE1 TRP A 62 74.539 6.807 4.516 1.00 0.00 H new ATOM 0 HE3 TRP A 62 79.604 6.132 6.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 74.778 6.067 7.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 78.895 5.564 8.413 1.00 0.00 H new ATOM 0 HH2 TRP A 62 76.489 5.529 9.010 1.00 0.00 H new ATOM 1001 N GLU A 63 77.946 4.818 0.975 1.00 0.00 N ATOM 1002 CA GLU A 63 76.848 3.974 0.424 1.00 0.00 C ATOM 1003 C GLU A 63 77.201 2.496 0.589 1.00 0.00 C ATOM 1004 O GLU A 63 76.344 1.659 0.789 1.00 0.00 O ATOM 1005 CB GLU A 63 76.766 4.346 -1.057 1.00 0.00 C ATOM 1006 CG GLU A 63 75.311 4.267 -1.525 1.00 0.00 C ATOM 1007 CD GLU A 63 74.957 2.815 -1.847 1.00 0.00 C ATOM 1008 OE1 GLU A 63 75.462 2.308 -2.835 1.00 0.00 O ATOM 1009 OE2 GLU A 63 74.186 2.234 -1.101 1.00 0.00 O ATOM 0 H GLU A 63 78.361 5.476 0.316 1.00 0.00 H new ATOM 0 HA GLU A 63 75.899 4.138 0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 63 77.154 5.353 -1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.386 3.671 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 63 74.647 4.651 -0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 63 75.167 4.892 -2.407 1.00 0.00 H new ATOM 1016 N LEU A 64 78.463 2.171 0.513 1.00 0.00 N ATOM 1017 CA LEU A 64 78.879 0.748 0.671 1.00 0.00 C ATOM 1018 C LEU A 64 79.255 0.472 2.130 1.00 0.00 C ATOM 1019 O LEU A 64 79.249 -0.657 2.578 1.00 0.00 O ATOM 1020 CB LEU A 64 80.098 0.587 -0.238 1.00 0.00 C ATOM 1021 CG LEU A 64 79.730 1.002 -1.665 1.00 0.00 C ATOM 1022 CD1 LEU A 64 80.980 1.501 -2.390 1.00 0.00 C ATOM 1023 CD2 LEU A 64 79.155 -0.202 -2.412 1.00 0.00 C ATOM 0 H LEU A 64 79.224 2.830 0.348 1.00 0.00 H new ATOM 0 HA LEU A 64 78.083 0.051 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.922 1.199 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 64 80.440 -0.448 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 64 78.987 1.799 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 64 80.718 1.796 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 64 81.392 2.358 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.723 0.704 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 64 78.892 0.092 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 64 79.898 -0.999 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 64 78.264 -0.559 -1.896 1.00 0.00 H new ATOM 1035 N SER A 65 79.579 1.495 2.874 1.00 0.00 N ATOM 1036 CA SER A 65 79.951 1.288 4.302 1.00 0.00 C ATOM 1037 C SER A 65 78.690 1.139 5.158 1.00 0.00 C ATOM 1038 O SER A 65 78.734 0.637 6.263 1.00 0.00 O ATOM 1039 CB SER A 65 80.723 2.546 4.696 1.00 0.00 C ATOM 1040 OG SER A 65 79.807 3.545 5.124 1.00 0.00 O ATOM 0 H SER A 65 79.602 2.463 2.555 1.00 0.00 H new ATOM 0 HA SER A 65 80.544 0.385 4.450 1.00 0.00 H new ATOM 0 HB2 SER A 65 81.429 2.318 5.494 1.00 0.00 H new ATOM 0 HB3 SER A 65 81.305 2.909 3.849 1.00 0.00 H new ATOM 0 HG SER A 65 80.302 4.329 5.441 1.00 0.00 H new ATOM 1046 N ASP A 66 77.567 1.567 4.650 1.00 0.00 N ATOM 1047 CA ASP A 66 76.302 1.449 5.430 1.00 0.00 C ATOM 1048 C ASP A 66 75.341 0.490 4.726 1.00 0.00 C ATOM 1049 O ASP A 66 75.188 0.523 3.521 1.00 0.00 O ATOM 1050 CB ASP A 66 75.721 2.864 5.463 1.00 0.00 C ATOM 1051 CG ASP A 66 74.432 2.866 6.287 1.00 0.00 C ATOM 1052 OD1 ASP A 66 74.508 2.590 7.473 1.00 0.00 O ATOM 1053 OD2 ASP A 66 73.389 3.146 5.717 1.00 0.00 O ATOM 0 H ASP A 66 77.470 1.993 3.728 1.00 0.00 H new ATOM 0 HA ASP A 66 76.468 1.056 6.433 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.444 3.555 5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 66 75.518 3.209 4.449 1.00 0.00 H new ATOM 1058 N ALA A 67 74.694 -0.365 5.467 1.00 0.00 N ATOM 1059 CA ALA A 67 73.747 -1.324 4.839 1.00 0.00 C ATOM 1060 C ALA A 67 72.585 -1.619 5.789 1.00 0.00 C ATOM 1061 O ALA A 67 72.091 -2.727 5.857 1.00 0.00 O ATOM 1062 CB ALA A 67 74.571 -2.587 4.588 1.00 0.00 C ATOM 0 H ALA A 67 74.781 -0.440 6.481 1.00 0.00 H new ATOM 0 HA ALA A 67 73.312 -0.933 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 67 73.941 -3.346 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 67 75.404 -2.352 3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 67 74.956 -2.964 5.535 1.00 0.00 H new ATOM 1068 N ASP A 68 72.139 -0.634 6.522 1.00 0.00 N ATOM 1069 CA ASP A 68 71.003 -0.853 7.462 1.00 0.00 C ATOM 1070 C ASP A 68 70.318 0.484 7.723 1.00 0.00 C ATOM 1071 O ASP A 68 69.586 0.647 8.679 1.00 0.00 O ATOM 1072 CB ASP A 68 71.637 -1.390 8.749 1.00 0.00 C ATOM 1073 CG ASP A 68 72.554 -2.570 8.421 1.00 0.00 C ATOM 1074 OD1 ASP A 68 72.045 -3.669 8.281 1.00 0.00 O ATOM 1075 OD2 ASP A 68 73.751 -2.354 8.316 1.00 0.00 O ATOM 0 H ASP A 68 72.514 0.315 6.510 1.00 0.00 H new ATOM 0 HA ASP A 68 70.257 -1.544 7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 68 72.206 -0.601 9.242 1.00 0.00 H new ATOM 0 HB3 ASP A 68 70.859 -1.704 9.445 1.00 0.00 H new ATOM 1080 N CYS A 69 70.571 1.440 6.871 1.00 0.00 N ATOM 1081 CA CYS A 69 69.978 2.788 7.029 1.00 0.00 C ATOM 1082 C CYS A 69 69.873 3.156 8.509 1.00 0.00 C ATOM 1083 O CYS A 69 68.976 3.861 8.926 1.00 0.00 O ATOM 1084 CB CYS A 69 68.595 2.704 6.384 1.00 0.00 C ATOM 1085 SG CYS A 69 68.655 3.438 4.730 1.00 0.00 S ATOM 0 H CYS A 69 71.177 1.336 6.057 1.00 0.00 H new ATOM 0 HA CYS A 69 70.589 3.560 6.561 1.00 0.00 H new ATOM 0 HB2 CYS A 69 68.274 1.664 6.321 1.00 0.00 H new ATOM 0 HB3 CYS A 69 67.863 3.227 6.999 1.00 0.00 H new ATOM 0 HG CYS A 69 67.479 3.365 4.180 1.00 0.00 H new ATOM 1091 N ASP A 70 70.786 2.674 9.302 1.00 0.00 N ATOM 1092 CA ASP A 70 70.749 2.980 10.758 1.00 0.00 C ATOM 1093 C ASP A 70 71.744 4.094 11.097 1.00 0.00 C ATOM 1094 O ASP A 70 71.679 4.696 12.151 1.00 0.00 O ATOM 1095 CB ASP A 70 71.148 1.675 11.447 1.00 0.00 C ATOM 1096 CG ASP A 70 72.612 1.357 11.136 1.00 0.00 C ATOM 1097 OD1 ASP A 70 73.154 1.977 10.236 1.00 0.00 O ATOM 1098 OD2 ASP A 70 73.167 0.500 11.804 1.00 0.00 O ATOM 0 H ASP A 70 71.559 2.079 9.004 1.00 0.00 H new ATOM 0 HA ASP A 70 69.767 3.328 11.079 1.00 0.00 H new ATOM 0 HB2 ASP A 70 71.005 1.762 12.524 1.00 0.00 H new ATOM 0 HB3 ASP A 70 70.508 0.861 11.106 1.00 0.00 H new ATOM 1103 N GLY A 71 72.664 4.371 10.215 1.00 0.00 N ATOM 1104 CA GLY A 71 73.662 5.443 10.492 1.00 0.00 C ATOM 1105 C GLY A 71 74.870 4.843 11.213 1.00 0.00 C ATOM 1106 O GLY A 71 75.978 5.327 11.097 1.00 0.00 O ATOM 0 H GLY A 71 72.768 3.902 9.315 1.00 0.00 H new ATOM 0 HA2 GLY A 71 73.977 5.910 9.559 1.00 0.00 H new ATOM 0 HA3 GLY A 71 73.211 6.225 11.104 1.00 0.00 H new ATOM 1110 N ALA A 72 74.665 3.790 11.956 1.00 0.00 N ATOM 1111 CA ALA A 72 75.796 3.156 12.682 1.00 0.00 C ATOM 1112 C ALA A 72 76.441 2.086 11.801 1.00 0.00 C ATOM 1113 O ALA A 72 75.848 1.603 10.857 1.00 0.00 O ATOM 1114 CB ALA A 72 75.168 2.524 13.924 1.00 0.00 C ATOM 0 H ALA A 72 73.759 3.342 12.090 1.00 0.00 H new ATOM 0 HA ALA A 72 76.576 3.870 12.944 1.00 0.00 H new ATOM 0 HB1 ALA A 72 75.943 2.034 14.514 1.00 0.00 H new ATOM 0 HB2 ALA A 72 74.690 3.298 14.524 1.00 0.00 H new ATOM 0 HB3 ALA A 72 74.423 1.788 13.621 1.00 0.00 H new ATOM 1120 N LEU A 73 77.651 1.716 12.099 1.00 0.00 N ATOM 1121 CA LEU A 73 78.337 0.679 11.275 1.00 0.00 C ATOM 1122 C LEU A 73 79.138 -0.273 12.161 1.00 0.00 C ATOM 1123 O LEU A 73 80.182 0.070 12.675 1.00 0.00 O ATOM 1124 CB LEU A 73 79.269 1.464 10.355 1.00 0.00 C ATOM 1125 CG LEU A 73 78.448 2.462 9.547 1.00 0.00 C ATOM 1126 CD1 LEU A 73 78.474 3.824 10.241 1.00 0.00 C ATOM 1127 CD2 LEU A 73 79.041 2.593 8.143 1.00 0.00 C ATOM 0 H LEU A 73 78.198 2.085 12.877 1.00 0.00 H new ATOM 0 HA LEU A 73 77.629 0.064 10.719 1.00 0.00 H new ATOM 0 HB2 LEU A 73 80.024 1.986 10.942 1.00 0.00 H new ATOM 0 HB3 LEU A 73 79.798 0.784 9.687 1.00 0.00 H new ATOM 0 HG LEU A 73 77.419 2.111 9.475 1.00 0.00 H new ATOM 0 HD11 LEU A 73 77.887 4.538 9.663 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.051 3.731 11.241 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.503 4.176 10.314 1.00 0.00 H new ATOM 0 HD21 LEU A 73 78.454 3.307 7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 73 80.071 2.944 8.214 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.022 1.622 7.648 1.00 0.00 H new ATOM 1139 N THR A 74 78.660 -1.472 12.331 1.00 0.00 N ATOM 1140 CA THR A 74 79.400 -2.454 13.175 1.00 0.00 C ATOM 1141 C THR A 74 80.810 -2.655 12.622 1.00 0.00 C ATOM 1142 O THR A 74 81.164 -2.110 11.595 1.00 0.00 O ATOM 1143 CB THR A 74 78.594 -3.751 13.070 1.00 0.00 C ATOM 1144 OG1 THR A 74 78.664 -4.244 11.739 1.00 0.00 O ATOM 1145 CG2 THR A 74 77.134 -3.482 13.438 1.00 0.00 C ATOM 0 H THR A 74 77.791 -1.816 11.924 1.00 0.00 H new ATOM 0 HA THR A 74 79.504 -2.122 14.208 1.00 0.00 H new ATOM 0 HB THR A 74 79.008 -4.490 13.756 1.00 0.00 H new ATOM 0 HG1 THR A 74 78.150 -5.075 11.671 1.00 0.00 H new ATOM 0 HG21 THR A 74 76.563 -4.407 13.362 1.00 0.00 H new ATOM 0 HG22 THR A 74 77.080 -3.105 14.459 1.00 0.00 H new ATOM 0 HG23 THR A 74 76.717 -2.742 12.755 1.00 0.00 H new ATOM 1153 N LEU A 75 81.621 -3.434 13.284 1.00 0.00 N ATOM 1154 CA LEU A 75 83.000 -3.663 12.771 1.00 0.00 C ATOM 1155 C LEU A 75 82.929 -4.181 11.333 1.00 0.00 C ATOM 1156 O LEU A 75 83.614 -3.689 10.460 1.00 0.00 O ATOM 1157 CB LEU A 75 83.609 -4.717 13.696 1.00 0.00 C ATOM 1158 CG LEU A 75 85.052 -4.331 14.024 1.00 0.00 C ATOM 1159 CD1 LEU A 75 85.062 -3.053 14.864 1.00 0.00 C ATOM 1160 CD2 LEU A 75 85.715 -5.463 14.811 1.00 0.00 C ATOM 0 H LEU A 75 81.390 -3.918 14.152 1.00 0.00 H new ATOM 0 HA LEU A 75 83.598 -2.752 12.761 1.00 0.00 H new ATOM 0 HB2 LEU A 75 83.024 -4.794 14.613 1.00 0.00 H new ATOM 0 HB3 LEU A 75 83.582 -5.696 13.217 1.00 0.00 H new ATOM 0 HG LEU A 75 85.601 -4.160 13.098 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.091 -2.779 15.097 1.00 0.00 H new ATOM 0 HD12 LEU A 75 84.589 -2.246 14.304 1.00 0.00 H new ATOM 0 HD13 LEU A 75 84.513 -3.222 15.790 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.744 -5.189 15.045 1.00 0.00 H new ATOM 0 HD22 LEU A 75 85.165 -5.633 15.736 1.00 0.00 H new ATOM 0 HD23 LEU A 75 85.709 -6.374 14.213 1.00 0.00 H new ATOM 1172 N PRO A 76 82.084 -5.159 11.136 1.00 0.00 N ATOM 1173 CA PRO A 76 81.905 -5.747 9.787 1.00 0.00 C ATOM 1174 C PRO A 76 81.564 -4.653 8.772 1.00 0.00 C ATOM 1175 O PRO A 76 81.883 -4.757 7.605 1.00 0.00 O ATOM 1176 CB PRO A 76 80.733 -6.712 9.956 1.00 0.00 C ATOM 1177 CG PRO A 76 80.655 -6.993 11.423 1.00 0.00 C ATOM 1178 CD PRO A 76 81.221 -5.795 12.136 1.00 0.00 C ATOM 0 HA PRO A 76 82.803 -6.242 9.418 1.00 0.00 H new ATOM 0 HB2 PRO A 76 79.806 -6.271 9.591 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.895 -7.629 9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.623 -7.169 11.727 1.00 0.00 H new ATOM 0 HG3 PRO A 76 81.219 -7.892 11.673 1.00 0.00 H new ATOM 0 HD2 PRO A 76 80.433 -5.120 12.469 1.00 0.00 H new ATOM 0 HD3 PRO A 76 81.785 -6.088 13.021 1.00 0.00 H new ATOM 1186 N GLU A 77 80.919 -3.605 9.207 1.00 0.00 N ATOM 1187 CA GLU A 77 80.561 -2.509 8.262 1.00 0.00 C ATOM 1188 C GLU A 77 81.793 -1.653 7.961 1.00 0.00 C ATOM 1189 O GLU A 77 81.994 -1.204 6.850 1.00 0.00 O ATOM 1190 CB GLU A 77 79.494 -1.687 8.986 1.00 0.00 C ATOM 1191 CG GLU A 77 78.134 -2.369 8.828 1.00 0.00 C ATOM 1192 CD GLU A 77 77.020 -1.327 8.942 1.00 0.00 C ATOM 1193 OE1 GLU A 77 77.207 -0.230 8.440 1.00 0.00 O ATOM 1194 OE2 GLU A 77 75.998 -1.643 9.529 1.00 0.00 O ATOM 0 H GLU A 77 80.625 -3.460 10.173 1.00 0.00 H new ATOM 0 HA GLU A 77 80.197 -2.888 7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 77 79.746 -1.593 10.042 1.00 0.00 H new ATOM 0 HB3 GLU A 77 79.457 -0.678 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 77 78.078 -2.871 7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 77 78.009 -3.135 9.594 1.00 0.00 H new ATOM 1201 N PHE A 78 82.622 -1.428 8.943 1.00 0.00 N ATOM 1202 CA PHE A 78 83.845 -0.605 8.714 1.00 0.00 C ATOM 1203 C PHE A 78 84.911 -1.439 7.997 1.00 0.00 C ATOM 1204 O PHE A 78 85.867 -0.914 7.462 1.00 0.00 O ATOM 1205 CB PHE A 78 84.319 -0.204 10.112 1.00 0.00 C ATOM 1206 CG PHE A 78 85.754 0.263 10.053 1.00 0.00 C ATOM 1207 CD1 PHE A 78 86.795 -0.672 9.990 1.00 0.00 C ATOM 1208 CD2 PHE A 78 86.045 1.633 10.067 1.00 0.00 C ATOM 1209 CE1 PHE A 78 88.124 -0.237 9.941 1.00 0.00 C ATOM 1210 CE2 PHE A 78 87.375 2.066 10.017 1.00 0.00 C ATOM 1211 CZ PHE A 78 88.415 1.132 9.955 1.00 0.00 C ATOM 0 H PHE A 78 82.506 -1.778 9.894 1.00 0.00 H new ATOM 0 HA PHE A 78 83.651 0.266 8.088 1.00 0.00 H new ATOM 0 HB2 PHE A 78 83.685 0.590 10.507 1.00 0.00 H new ATOM 0 HB3 PHE A 78 84.231 -1.051 10.792 1.00 0.00 H new ATOM 0 HD1 PHE A 78 86.572 -1.729 9.979 1.00 0.00 H new ATOM 0 HD2 PHE A 78 85.243 2.355 10.116 1.00 0.00 H new ATOM 0 HE1 PHE A 78 88.926 -0.958 9.892 1.00 0.00 H new ATOM 0 HE2 PHE A 78 87.599 3.123 10.026 1.00 0.00 H new ATOM 0 HZ PHE A 78 89.441 1.467 9.918 1.00 0.00 H new ATOM 1221 N CYS A 79 84.754 -2.736 7.983 1.00 0.00 N ATOM 1222 CA CYS A 79 85.760 -3.598 7.301 1.00 0.00 C ATOM 1223 C CYS A 79 85.606 -3.495 5.781 1.00 0.00 C ATOM 1224 O CYS A 79 86.484 -3.022 5.089 1.00 0.00 O ATOM 1225 CB CYS A 79 85.452 -5.018 7.778 1.00 0.00 C ATOM 1226 SG CYS A 79 86.260 -5.306 9.372 1.00 0.00 S ATOM 0 H CYS A 79 83.975 -3.234 8.413 1.00 0.00 H new ATOM 0 HA CYS A 79 86.783 -3.302 7.534 1.00 0.00 H new ATOM 0 HB2 CYS A 79 84.375 -5.156 7.874 1.00 0.00 H new ATOM 0 HB3 CYS A 79 85.802 -5.744 7.044 1.00 0.00 H new ATOM 0 HG CYS A 79 85.538 -4.792 10.323 1.00 0.00 H new ATOM 1232 N ALA A 80 84.494 -3.936 5.258 1.00 0.00 N ATOM 1233 CA ALA A 80 84.286 -3.864 3.782 1.00 0.00 C ATOM 1234 C ALA A 80 84.407 -2.417 3.299 1.00 0.00 C ATOM 1235 O ALA A 80 84.946 -2.148 2.245 1.00 0.00 O ATOM 1236 CB ALA A 80 82.868 -4.389 3.557 1.00 0.00 C ATOM 0 H ALA A 80 83.722 -4.342 5.787 1.00 0.00 H new ATOM 0 HA ALA A 80 85.028 -4.443 3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 80 82.637 -4.368 2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 80 82.797 -5.413 3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 80 82.158 -3.761 4.095 1.00 0.00 H new ATOM 1242 N ALA A 81 83.911 -1.487 4.064 1.00 0.00 N ATOM 1243 CA ALA A 81 83.997 -0.057 3.650 1.00 0.00 C ATOM 1244 C ALA A 81 85.460 0.345 3.453 1.00 0.00 C ATOM 1245 O ALA A 81 85.815 0.981 2.480 1.00 0.00 O ATOM 1246 CB ALA A 81 83.376 0.728 4.805 1.00 0.00 C ATOM 0 H ALA A 81 83.449 -1.653 4.958 1.00 0.00 H new ATOM 0 HA ALA A 81 83.484 0.133 2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 81 83.402 1.793 4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 81 82.342 0.412 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 81 83.941 0.539 5.718 1.00 0.00 H new ATOM 1252 N PHE A 82 86.313 -0.023 4.369 1.00 0.00 N ATOM 1253 CA PHE A 82 87.754 0.336 4.237 1.00 0.00 C ATOM 1254 C PHE A 82 88.345 -0.306 2.979 1.00 0.00 C ATOM 1255 O PHE A 82 88.991 0.345 2.182 1.00 0.00 O ATOM 1256 CB PHE A 82 88.417 -0.232 5.492 1.00 0.00 C ATOM 1257 CG PHE A 82 89.199 0.857 6.188 1.00 0.00 C ATOM 1258 CD1 PHE A 82 88.570 1.674 7.135 1.00 0.00 C ATOM 1259 CD2 PHE A 82 90.553 1.050 5.886 1.00 0.00 C ATOM 1260 CE1 PHE A 82 89.294 2.682 7.782 1.00 0.00 C ATOM 1261 CE2 PHE A 82 91.277 2.059 6.532 1.00 0.00 C ATOM 1262 CZ PHE A 82 90.648 2.874 7.480 1.00 0.00 C ATOM 0 H PHE A 82 86.074 -0.557 5.204 1.00 0.00 H new ATOM 0 HA PHE A 82 87.907 1.411 4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 82 87.660 -0.637 6.164 1.00 0.00 H new ATOM 0 HB3 PHE A 82 89.079 -1.055 5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 82 87.525 1.526 7.366 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.038 0.420 5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 82 88.809 3.311 8.514 1.00 0.00 H new ATOM 0 HE2 PHE A 82 92.321 2.208 6.299 1.00 0.00 H new ATOM 0 HZ PHE A 82 91.207 3.652 7.979 1.00 0.00 H new ATOM 1272 N HIS A 83 88.131 -1.581 2.796 1.00 0.00 N ATOM 1273 CA HIS A 83 88.682 -2.264 1.590 1.00 0.00 C ATOM 1274 C HIS A 83 88.289 -1.502 0.322 1.00 0.00 C ATOM 1275 O HIS A 83 88.972 -1.554 -0.682 1.00 0.00 O ATOM 1276 CB HIS A 83 88.047 -3.654 1.599 1.00 0.00 C ATOM 1277 CG HIS A 83 88.637 -4.469 2.717 1.00 0.00 C ATOM 1278 ND1 HIS A 83 87.855 -5.027 3.717 1.00 0.00 N ATOM 1279 CD2 HIS A 83 89.930 -4.827 3.008 1.00 0.00 C ATOM 1280 CE1 HIS A 83 88.678 -5.685 4.554 1.00 0.00 C ATOM 1281 NE2 HIS A 83 89.954 -5.596 4.168 1.00 0.00 N ATOM 0 H HIS A 83 87.599 -2.179 3.429 1.00 0.00 H new ATOM 0 HA HIS A 83 89.771 -2.312 1.605 1.00 0.00 H new ATOM 0 HB2 HIS A 83 86.968 -3.571 1.726 1.00 0.00 H new ATOM 0 HB3 HIS A 83 88.219 -4.150 0.644 1.00 0.00 H new ATOM 0 HD1 HIS A 83 86.841 -4.952 3.803 1.00 0.00 H new ATOM 0 HD2 HIS A 83 90.797 -4.553 2.425 1.00 0.00 H new ATOM 0 HE1 HIS A 83 88.347 -6.220 5.432 1.00 0.00 H new ATOM 1289 N LEU A 84 87.194 -0.792 0.359 1.00 0.00 N ATOM 1290 CA LEU A 84 86.761 -0.028 -0.846 1.00 0.00 C ATOM 1291 C LEU A 84 87.611 1.236 -1.003 1.00 0.00 C ATOM 1292 O LEU A 84 88.061 1.563 -2.084 1.00 0.00 O ATOM 1293 CB LEU A 84 85.301 0.339 -0.581 1.00 0.00 C ATOM 1294 CG LEU A 84 84.448 -0.931 -0.561 1.00 0.00 C ATOM 1295 CD1 LEU A 84 83.051 -0.598 -0.034 1.00 0.00 C ATOM 1296 CD2 LEU A 84 84.336 -1.493 -1.980 1.00 0.00 C ATOM 0 H LEU A 84 86.581 -0.708 1.170 1.00 0.00 H new ATOM 0 HA LEU A 84 86.875 -0.605 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 84 85.214 0.863 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 84 84.941 1.019 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 84 84.915 -1.672 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 84 82.443 -1.502 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 84 83.129 -0.197 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 84 82.584 0.143 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 84 83.728 -2.398 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 84 83.869 -0.752 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 84 85.331 -1.730 -2.357 1.00 0.00 H new ATOM 1308 N ILE A 85 87.831 1.950 0.067 1.00 0.00 N ATOM 1309 CA ILE A 85 88.650 3.193 -0.019 1.00 0.00 C ATOM 1310 C ILE A 85 90.078 2.858 -0.463 1.00 0.00 C ATOM 1311 O ILE A 85 90.688 3.586 -1.220 1.00 0.00 O ATOM 1312 CB ILE A 85 88.644 3.769 1.399 1.00 0.00 C ATOM 1313 CG1 ILE A 85 87.313 4.482 1.651 1.00 0.00 C ATOM 1314 CG2 ILE A 85 89.791 4.769 1.555 1.00 0.00 C ATOM 1315 CD1 ILE A 85 86.337 3.520 2.331 1.00 0.00 C ATOM 0 H ILE A 85 87.479 1.726 0.998 1.00 0.00 H new ATOM 0 HA ILE A 85 88.253 3.901 -0.747 1.00 0.00 H new ATOM 0 HB ILE A 85 88.770 2.959 2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.472 5.359 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.894 4.836 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 85 89.783 5.177 2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 85 90.740 4.265 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 85 89.668 5.579 0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.390 4.029 2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 85 86.169 2.657 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 85 86.756 3.188 3.281 1.00 0.00 H new ATOM 1327 N VAL A 86 90.614 1.762 0.001 1.00 0.00 N ATOM 1328 CA VAL A 86 92.002 1.389 -0.398 1.00 0.00 C ATOM 1329 C VAL A 86 91.988 0.680 -1.754 1.00 0.00 C ATOM 1330 O VAL A 86 92.961 0.694 -2.483 1.00 0.00 O ATOM 1331 CB VAL A 86 92.491 0.442 0.698 1.00 0.00 C ATOM 1332 CG1 VAL A 86 93.910 -0.025 0.371 1.00 0.00 C ATOM 1333 CG2 VAL A 86 92.495 1.177 2.041 1.00 0.00 C ATOM 0 H VAL A 86 90.153 1.111 0.637 1.00 0.00 H new ATOM 0 HA VAL A 86 92.650 2.259 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 86 91.828 -0.421 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 86 94.260 -0.700 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 86 93.910 -0.546 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 86 94.573 0.838 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 86 92.843 0.503 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 86 93.160 2.039 1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 86 91.485 1.513 2.275 1.00 0.00 H new ATOM 1343 N ALA A 87 90.893 0.060 -2.099 1.00 0.00 N ATOM 1344 CA ALA A 87 90.818 -0.648 -3.409 1.00 0.00 C ATOM 1345 C ALA A 87 90.794 0.365 -4.557 1.00 0.00 C ATOM 1346 O ALA A 87 90.865 0.007 -5.716 1.00 0.00 O ATOM 1347 CB ALA A 87 89.509 -1.436 -3.359 1.00 0.00 C ATOM 0 H ALA A 87 90.047 0.013 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 87 91.677 -1.297 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.380 -1.987 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.538 -2.137 -2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.675 -0.747 -3.226 1.00 0.00 H new ATOM 1353 N ARG A 88 90.696 1.628 -4.244 1.00 0.00 N ATOM 1354 CA ARG A 88 90.669 2.663 -5.317 1.00 0.00 C ATOM 1355 C ARG A 88 92.066 3.256 -5.513 1.00 0.00 C ATOM 1356 O ARG A 88 92.506 3.480 -6.623 1.00 0.00 O ATOM 1357 CB ARG A 88 89.699 3.732 -4.812 1.00 0.00 C ATOM 1358 CG ARG A 88 89.062 4.449 -6.005 1.00 0.00 C ATOM 1359 CD ARG A 88 89.913 5.662 -6.387 1.00 0.00 C ATOM 1360 NE ARG A 88 89.729 6.629 -5.269 1.00 0.00 N ATOM 1361 CZ ARG A 88 88.581 7.228 -5.107 1.00 0.00 C ATOM 1362 NH1 ARG A 88 88.066 7.927 -6.082 1.00 0.00 N ATOM 1363 NH2 ARG A 88 87.946 7.129 -3.971 1.00 0.00 N ATOM 0 H ARG A 88 90.633 1.988 -3.292 1.00 0.00 H new ATOM 0 HA ARG A 88 90.359 2.254 -6.279 1.00 0.00 H new ATOM 0 HB2 ARG A 88 88.926 3.274 -4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 88 90.227 4.449 -4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 88 88.981 3.767 -6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 88 88.050 4.766 -5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 88 90.962 5.388 -6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 88 89.588 6.089 -7.336 1.00 0.00 H new ATOM 0 HE ARG A 88 90.500 6.823 -4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 88 88.561 8.005 -6.970 1.00 0.00 H new ATOM 0 HH12 ARG A 88 87.169 8.395 -5.955 1.00 0.00 H new ATOM 0 HH21 ARG A 88 88.347 6.583 -3.208 1.00 0.00 H new ATOM 0 HH22 ARG A 88 87.049 7.598 -3.846 1.00 0.00 H new ATOM 1377 N LYS A 89 92.767 3.511 -4.442 1.00 0.00 N ATOM 1378 CA LYS A 89 94.136 4.087 -4.567 1.00 0.00 C ATOM 1379 C LYS A 89 95.051 3.119 -5.322 1.00 0.00 C ATOM 1380 O LYS A 89 96.000 3.521 -5.964 1.00 0.00 O ATOM 1381 CB LYS A 89 94.619 4.273 -3.129 1.00 0.00 C ATOM 1382 CG LYS A 89 95.295 5.637 -2.988 1.00 0.00 C ATOM 1383 CD LYS A 89 96.551 5.678 -3.860 1.00 0.00 C ATOM 1384 CE LYS A 89 97.472 4.515 -3.483 1.00 0.00 C ATOM 1385 NZ LYS A 89 98.818 4.916 -3.977 1.00 0.00 N ATOM 0 H LYS A 89 92.451 3.345 -3.486 1.00 0.00 H new ATOM 0 HA LYS A 89 94.141 5.025 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 89 93.778 4.200 -2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 89 95.318 3.480 -2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 89 94.607 6.428 -3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 89 95.557 5.819 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 89 96.278 5.613 -4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 89 97.071 6.626 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 89 97.480 4.350 -2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 89 97.143 3.584 -3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 99.506 4.168 -3.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 98.782 5.059 -5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 99.108 5.801 -3.515 1.00 0.00 H new ATOM 1399 N ASN A 90 94.771 1.847 -5.249 1.00 0.00 N ATOM 1400 CA ASN A 90 95.621 0.854 -5.962 1.00 0.00 C ATOM 1401 C ASN A 90 94.763 -0.001 -6.898 1.00 0.00 C ATOM 1402 O ASN A 90 95.216 -0.988 -7.444 1.00 0.00 O ATOM 1403 CB ASN A 90 96.238 -0.006 -4.858 1.00 0.00 C ATOM 1404 CG ASN A 90 97.718 -0.244 -5.166 1.00 0.00 C ATOM 1405 OD1 ASN A 90 98.080 -1.270 -5.707 1.00 0.00 O ATOM 1406 ND2 ASN A 90 98.594 0.667 -4.842 1.00 0.00 N ATOM 0 H ASN A 90 93.989 1.453 -4.726 1.00 0.00 H new ATOM 0 HA ASN A 90 96.383 1.329 -6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 90 96.131 0.490 -3.893 1.00 0.00 H new ATOM 0 HB3 ASN A 90 95.712 -0.958 -4.787 1.00 0.00 H new ATOM 0 HD21 ASN A 90 99.583 0.518 -5.043 1.00 0.00 H new ATOM 0 HD22 ASN A 90 98.290 1.528 -4.388 1.00 0.00 H new ATOM 1413 N GLY A 91 93.525 0.369 -7.088 1.00 0.00 N ATOM 1414 CA GLY A 91 92.639 -0.421 -7.987 1.00 0.00 C ATOM 1415 C GLY A 91 92.829 -1.913 -7.711 1.00 0.00 C ATOM 1416 O GLY A 91 93.064 -2.696 -8.611 1.00 0.00 O ATOM 0 H GLY A 91 93.090 1.185 -6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 91 91.598 -0.141 -7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 91 92.872 -0.201 -9.029 1.00 0.00 H new ATOM 1420 N TYR A 92 92.731 -2.315 -6.473 1.00 0.00 N ATOM 1421 CA TYR A 92 92.906 -3.758 -6.142 1.00 0.00 C ATOM 1422 C TYR A 92 91.986 -4.615 -7.015 1.00 0.00 C ATOM 1423 O TYR A 92 91.098 -4.106 -7.670 1.00 0.00 O ATOM 1424 CB TYR A 92 92.514 -3.877 -4.670 1.00 0.00 C ATOM 1425 CG TYR A 92 93.755 -4.078 -3.832 1.00 0.00 C ATOM 1426 CD1 TYR A 92 94.973 -3.523 -4.241 1.00 0.00 C ATOM 1427 CD2 TYR A 92 93.687 -4.820 -2.647 1.00 0.00 C ATOM 1428 CE1 TYR A 92 96.123 -3.709 -3.465 1.00 0.00 C ATOM 1429 CE2 TYR A 92 94.836 -5.007 -1.870 1.00 0.00 C ATOM 1430 CZ TYR A 92 96.055 -4.451 -2.279 1.00 0.00 C ATOM 1431 OH TYR A 92 97.188 -4.634 -1.513 1.00 0.00 O ATOM 0 H TYR A 92 92.537 -1.707 -5.677 1.00 0.00 H new ATOM 0 HA TYR A 92 93.924 -4.103 -6.321 1.00 0.00 H new ATOM 0 HB2 TYR A 92 91.987 -2.978 -4.349 1.00 0.00 H new ATOM 0 HB3 TYR A 92 91.829 -4.714 -4.532 1.00 0.00 H new ATOM 0 HD1 TYR A 92 95.026 -2.951 -5.156 1.00 0.00 H new ATOM 0 HD2 TYR A 92 92.747 -5.249 -2.332 1.00 0.00 H new ATOM 0 HE1 TYR A 92 97.063 -3.280 -3.781 1.00 0.00 H new ATOM 0 HE2 TYR A 92 94.783 -5.580 -0.956 1.00 0.00 H new ATOM 0 HH TYR A 92 96.966 -5.171 -0.724 1.00 0.00 H new ATOM 1441 N PRO A 93 92.233 -5.896 -6.992 1.00 0.00 N ATOM 1442 CA PRO A 93 91.419 -6.845 -7.791 1.00 0.00 C ATOM 1443 C PRO A 93 89.943 -6.740 -7.397 1.00 0.00 C ATOM 1444 O PRO A 93 89.596 -6.112 -6.416 1.00 0.00 O ATOM 1445 CB PRO A 93 91.981 -8.220 -7.426 1.00 0.00 C ATOM 1446 CG PRO A 93 93.323 -7.957 -6.814 1.00 0.00 C ATOM 1447 CD PRO A 93 93.283 -6.572 -6.227 1.00 0.00 C ATOM 0 HA PRO A 93 91.469 -6.648 -8.862 1.00 0.00 H new ATOM 0 HB2 PRO A 93 91.326 -8.738 -6.726 1.00 0.00 H new ATOM 0 HB3 PRO A 93 92.070 -8.854 -8.308 1.00 0.00 H new ATOM 0 HG2 PRO A 93 93.545 -8.695 -6.043 1.00 0.00 H new ATOM 0 HG3 PRO A 93 94.110 -8.034 -7.565 1.00 0.00 H new ATOM 0 HD2 PRO A 93 93.050 -6.596 -5.163 1.00 0.00 H new ATOM 0 HD3 PRO A 93 94.243 -6.066 -6.332 1.00 0.00 H new ATOM 1455 N LEU A 94 89.070 -7.350 -8.153 1.00 0.00 N ATOM 1456 CA LEU A 94 87.619 -7.281 -7.818 1.00 0.00 C ATOM 1457 C LEU A 94 87.184 -5.823 -7.663 1.00 0.00 C ATOM 1458 O LEU A 94 86.747 -5.412 -6.605 1.00 0.00 O ATOM 1459 CB LEU A 94 87.486 -8.025 -6.489 1.00 0.00 C ATOM 1460 CG LEU A 94 86.067 -8.578 -6.352 1.00 0.00 C ATOM 1461 CD1 LEU A 94 86.065 -9.743 -5.360 1.00 0.00 C ATOM 1462 CD2 LEU A 94 85.137 -7.475 -5.843 1.00 0.00 C ATOM 0 H LEU A 94 89.299 -7.892 -8.986 1.00 0.00 H new ATOM 0 HA LEU A 94 86.992 -7.719 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 94 88.210 -8.838 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 94 87.707 -7.352 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 94 85.719 -8.928 -7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 94 85.053 -10.137 -5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 94 86.727 -10.530 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 94 86.413 -9.394 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.125 -7.869 -5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 94 85.486 -7.125 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 94 85.137 -6.645 -6.549 1.00 0.00 H new ATOM 1474 N PRO A 95 87.319 -5.085 -8.731 1.00 0.00 N ATOM 1475 CA PRO A 95 86.937 -3.651 -8.722 1.00 0.00 C ATOM 1476 C PRO A 95 85.436 -3.499 -8.465 1.00 0.00 C ATOM 1477 O PRO A 95 84.632 -3.553 -9.376 1.00 0.00 O ATOM 1478 CB PRO A 95 87.300 -3.157 -10.123 1.00 0.00 C ATOM 1479 CG PRO A 95 87.460 -4.389 -10.958 1.00 0.00 C ATOM 1480 CD PRO A 95 87.837 -5.513 -10.032 1.00 0.00 C ATOM 0 HA PRO A 95 87.442 -3.086 -7.938 1.00 0.00 H new ATOM 0 HB2 PRO A 95 86.520 -2.510 -10.525 1.00 0.00 H new ATOM 0 HB3 PRO A 95 88.220 -2.573 -10.106 1.00 0.00 H new ATOM 0 HG2 PRO A 95 86.534 -4.619 -11.484 1.00 0.00 H new ATOM 0 HG3 PRO A 95 88.229 -4.242 -11.716 1.00 0.00 H new ATOM 0 HD2 PRO A 95 87.393 -6.457 -10.348 1.00 0.00 H new ATOM 0 HD3 PRO A 95 88.916 -5.662 -10.003 1.00 0.00 H new ATOM 1488 N GLU A 96 85.051 -3.308 -7.234 1.00 0.00 N ATOM 1489 CA GLU A 96 83.601 -3.151 -6.921 1.00 0.00 C ATOM 1490 C GLU A 96 83.334 -1.756 -6.349 1.00 0.00 C ATOM 1491 O GLU A 96 84.246 -0.992 -6.102 1.00 0.00 O ATOM 1492 CB GLU A 96 83.299 -4.227 -5.878 1.00 0.00 C ATOM 1493 CG GLU A 96 82.067 -5.026 -6.311 1.00 0.00 C ATOM 1494 CD GLU A 96 81.098 -5.146 -5.134 1.00 0.00 C ATOM 1495 OE1 GLU A 96 80.564 -4.128 -4.725 1.00 0.00 O ATOM 1496 OE2 GLU A 96 80.904 -6.254 -4.662 1.00 0.00 O ATOM 0 H GLU A 96 85.677 -3.254 -6.430 1.00 0.00 H new ATOM 0 HA GLU A 96 82.973 -3.258 -7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 96 84.156 -4.891 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 96 83.124 -3.767 -4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 96 81.577 -4.533 -7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 96 82.365 -6.017 -6.653 1.00 0.00 H new ATOM 1503 N GLY A 97 82.092 -1.417 -6.139 1.00 0.00 N ATOM 1504 CA GLY A 97 81.771 -0.072 -5.586 1.00 0.00 C ATOM 1505 C GLY A 97 81.618 0.925 -6.736 1.00 0.00 C ATOM 1506 O GLY A 97 81.645 2.123 -6.539 1.00 0.00 O ATOM 0 H GLY A 97 81.286 -2.013 -6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 97 80.851 -0.116 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 97 82.561 0.254 -4.910 1.00 0.00 H new ATOM 1510 N LEU A 98 81.457 0.438 -7.935 1.00 0.00 N ATOM 1511 CA LEU A 98 81.301 1.354 -9.099 1.00 0.00 C ATOM 1512 C LEU A 98 80.814 0.573 -10.322 1.00 0.00 C ATOM 1513 O LEU A 98 81.585 -0.098 -10.980 1.00 0.00 O ATOM 1514 CB LEU A 98 82.699 1.923 -9.346 1.00 0.00 C ATOM 1515 CG LEU A 98 82.587 3.394 -9.745 1.00 0.00 C ATOM 1516 CD1 LEU A 98 83.987 3.982 -9.933 1.00 0.00 C ATOM 1517 CD2 LEU A 98 81.807 3.507 -11.056 1.00 0.00 C ATOM 0 H LEU A 98 81.427 -0.557 -8.159 1.00 0.00 H new ATOM 0 HA LEU A 98 80.570 2.140 -8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 98 83.308 1.824 -8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 98 83.199 1.359 -10.133 1.00 0.00 H new ATOM 0 HG LEU A 98 82.066 3.944 -8.961 1.00 0.00 H new ATOM 0 HD11 LEU A 98 83.906 5.031 -10.218 1.00 0.00 H new ATOM 0 HD12 LEU A 98 84.544 3.901 -8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 98 84.510 3.433 -10.716 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.726 4.556 -11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 98 82.329 2.957 -11.839 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.809 3.089 -10.923 1.00 0.00 H new ATOM 1529 N PRO A 99 79.543 0.692 -10.584 1.00 0.00 N ATOM 1530 CA PRO A 99 78.933 -0.009 -11.740 1.00 0.00 C ATOM 1531 C PRO A 99 79.710 0.313 -13.023 1.00 0.00 C ATOM 1532 O PRO A 99 80.684 1.037 -12.989 1.00 0.00 O ATOM 1533 CB PRO A 99 77.514 0.553 -11.801 1.00 0.00 C ATOM 1534 CG PRO A 99 77.242 1.103 -10.436 1.00 0.00 C ATOM 1535 CD PRO A 99 78.567 1.486 -9.833 1.00 0.00 C ATOM 0 HA PRO A 99 78.945 -1.094 -11.640 1.00 0.00 H new ATOM 0 HB2 PRO A 99 77.432 1.330 -12.561 1.00 0.00 H new ATOM 0 HB3 PRO A 99 76.795 -0.224 -12.061 1.00 0.00 H new ATOM 0 HG2 PRO A 99 76.583 1.969 -10.495 1.00 0.00 H new ATOM 0 HG3 PRO A 99 76.738 0.361 -9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 99 78.758 2.554 -9.936 1.00 0.00 H new ATOM 0 HD3 PRO A 99 78.602 1.257 -8.768 1.00 0.00 H new ATOM 1543 N PRO A 100 79.249 -0.240 -14.113 1.00 0.00 N ATOM 1544 CA PRO A 100 79.914 -0.006 -15.420 1.00 0.00 C ATOM 1545 C PRO A 100 79.773 1.461 -15.838 1.00 0.00 C ATOM 1546 O PRO A 100 80.345 1.893 -16.818 1.00 0.00 O ATOM 1547 CB PRO A 100 79.166 -0.922 -16.389 1.00 0.00 C ATOM 1548 CG PRO A 100 77.874 -1.260 -15.714 1.00 0.00 C ATOM 1549 CD PRO A 100 78.087 -1.124 -14.230 1.00 0.00 C ATOM 0 HA PRO A 100 80.983 -0.215 -15.392 1.00 0.00 H new ATOM 0 HB2 PRO A 100 78.991 -0.423 -17.342 1.00 0.00 H new ATOM 0 HB3 PRO A 100 79.743 -1.822 -16.601 1.00 0.00 H new ATOM 0 HG2 PRO A 100 77.080 -0.592 -16.050 1.00 0.00 H new ATOM 0 HG3 PRO A 100 77.565 -2.275 -15.965 1.00 0.00 H new ATOM 0 HD2 PRO A 100 77.212 -0.698 -13.739 1.00 0.00 H new ATOM 0 HD3 PRO A 100 78.274 -2.092 -13.764 1.00 0.00 H new ATOM 1557 N THR A 101 79.015 2.229 -15.102 1.00 0.00 N ATOM 1558 CA THR A 101 78.836 3.668 -15.453 1.00 0.00 C ATOM 1559 C THR A 101 80.168 4.280 -15.897 1.00 0.00 C ATOM 1560 O THR A 101 80.203 5.219 -16.668 1.00 0.00 O ATOM 1561 CB THR A 101 78.343 4.332 -14.164 1.00 0.00 C ATOM 1562 OG1 THR A 101 78.496 5.741 -14.273 1.00 0.00 O ATOM 1563 CG2 THR A 101 79.158 3.819 -12.973 1.00 0.00 C ATOM 0 H THR A 101 78.511 1.921 -14.271 1.00 0.00 H new ATOM 0 HA THR A 101 78.136 3.806 -16.278 1.00 0.00 H new ATOM 0 HB THR A 101 77.292 4.089 -14.010 1.00 0.00 H new ATOM 0 HG1 THR A 101 78.180 6.169 -13.450 1.00 0.00 H new ATOM 0 HG21 THR A 101 78.804 4.294 -12.058 1.00 0.00 H new ATOM 0 HG22 THR A 101 79.040 2.739 -12.890 1.00 0.00 H new ATOM 0 HG23 THR A 101 80.211 4.059 -13.122 1.00 0.00 H new ATOM 1571 N LEU A 102 81.265 3.759 -15.417 1.00 0.00 N ATOM 1572 CA LEU A 102 82.589 4.316 -15.817 1.00 0.00 C ATOM 1573 C LEU A 102 83.668 3.233 -15.742 1.00 0.00 C ATOM 1574 O LEU A 102 84.761 3.465 -15.265 1.00 0.00 O ATOM 1575 CB LEU A 102 82.873 5.428 -14.807 1.00 0.00 C ATOM 1576 CG LEU A 102 83.164 6.731 -15.553 1.00 0.00 C ATOM 1577 CD1 LEU A 102 82.518 7.901 -14.810 1.00 0.00 C ATOM 1578 CD2 LEU A 102 84.676 6.947 -15.627 1.00 0.00 C ATOM 0 H LEU A 102 81.302 2.974 -14.767 1.00 0.00 H new ATOM 0 HA LEU A 102 82.586 4.687 -16.842 1.00 0.00 H new ATOM 0 HB2 LEU A 102 82.018 5.559 -14.144 1.00 0.00 H new ATOM 0 HB3 LEU A 102 83.723 5.157 -14.181 1.00 0.00 H new ATOM 0 HG LEU A 102 82.754 6.672 -16.561 1.00 0.00 H new ATOM 0 HD11 LEU A 102 82.726 8.829 -15.342 1.00 0.00 H new ATOM 0 HD12 LEU A 102 81.440 7.747 -14.756 1.00 0.00 H new ATOM 0 HD13 LEU A 102 82.927 7.962 -13.801 1.00 0.00 H new ATOM 0 HD21 LEU A 102 84.885 7.875 -16.158 1.00 0.00 H new ATOM 0 HD22 LEU A 102 85.085 7.006 -14.618 1.00 0.00 H new ATOM 0 HD23 LEU A 102 85.137 6.114 -16.157 1.00 0.00 H new ATOM 1590 N GLN A 103 83.372 2.053 -16.211 1.00 0.00 N ATOM 1591 CA GLN A 103 84.384 0.959 -16.167 1.00 0.00 C ATOM 1592 C GLN A 103 85.708 1.446 -16.758 1.00 0.00 C ATOM 1593 O GLN A 103 85.726 2.291 -17.630 1.00 0.00 O ATOM 1594 CB GLN A 103 83.794 -0.161 -17.023 1.00 0.00 C ATOM 1595 CG GLN A 103 83.398 -1.336 -16.128 1.00 0.00 C ATOM 1596 CD GLN A 103 84.272 -2.547 -16.459 1.00 0.00 C ATOM 1597 OE1 GLN A 103 84.408 -2.916 -17.609 1.00 0.00 O ATOM 1598 NE2 GLN A 103 84.875 -3.186 -15.494 1.00 0.00 N ATOM 0 H GLN A 103 82.474 1.798 -16.623 1.00 0.00 H new ATOM 0 HA GLN A 103 84.592 0.626 -15.150 1.00 0.00 H new ATOM 0 HB2 GLN A 103 82.923 0.204 -17.568 1.00 0.00 H new ATOM 0 HB3 GLN A 103 84.522 -0.486 -17.766 1.00 0.00 H new ATOM 0 HG2 GLN A 103 83.517 -1.064 -15.079 1.00 0.00 H new ATOM 0 HG3 GLN A 103 82.346 -1.582 -16.276 1.00 0.00 H new ATOM 0 HE21 GLN A 103 84.761 -2.877 -14.529 1.00 0.00 H new ATOM 0 HE22 GLN A 103 85.460 -3.994 -15.705 1.00 0.00 H new ATOM 1607 N PRO A 104 86.778 0.892 -16.258 1.00 0.00 N ATOM 1608 CA PRO A 104 88.128 1.272 -16.742 1.00 0.00 C ATOM 1609 C PRO A 104 88.291 0.890 -18.217 1.00 0.00 C ATOM 1610 O PRO A 104 89.235 1.285 -18.870 1.00 0.00 O ATOM 1611 CB PRO A 104 89.082 0.461 -15.864 1.00 0.00 C ATOM 1612 CG PRO A 104 88.249 -0.623 -15.252 1.00 0.00 C ATOM 1613 CD PRO A 104 86.829 -0.128 -15.209 1.00 0.00 C ATOM 0 HA PRO A 104 88.314 2.344 -16.678 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.897 0.042 -16.455 1.00 0.00 H new ATOM 0 HB3 PRO A 104 89.535 1.088 -15.096 1.00 0.00 H new ATOM 0 HG2 PRO A 104 88.319 -1.539 -15.839 1.00 0.00 H new ATOM 0 HG3 PRO A 104 88.604 -0.860 -14.249 1.00 0.00 H new ATOM 0 HD2 PRO A 104 86.120 -0.933 -15.400 1.00 0.00 H new ATOM 0 HD3 PRO A 104 86.581 0.290 -14.233 1.00 0.00 H new ATOM 1621 N GLU A 105 87.374 0.124 -18.744 1.00 0.00 N ATOM 1622 CA GLU A 105 87.475 -0.283 -20.175 1.00 0.00 C ATOM 1623 C GLU A 105 87.006 0.855 -21.085 1.00 0.00 C ATOM 1624 O GLU A 105 86.982 0.727 -22.293 1.00 0.00 O ATOM 1625 CB GLU A 105 86.547 -1.491 -20.310 1.00 0.00 C ATOM 1626 CG GLU A 105 86.980 -2.584 -19.330 1.00 0.00 C ATOM 1627 CD GLU A 105 86.935 -3.944 -20.029 1.00 0.00 C ATOM 1628 OE1 GLU A 105 85.993 -4.176 -20.769 1.00 0.00 O ATOM 1629 OE2 GLU A 105 87.842 -4.729 -19.814 1.00 0.00 O ATOM 0 H GLU A 105 86.560 -0.237 -18.246 1.00 0.00 H new ATOM 0 HA GLU A 105 88.499 -0.519 -20.464 1.00 0.00 H new ATOM 0 HB2 GLU A 105 85.517 -1.195 -20.109 1.00 0.00 H new ATOM 0 HB3 GLU A 105 86.576 -1.872 -21.331 1.00 0.00 H new ATOM 0 HG2 GLU A 105 87.988 -2.383 -18.967 1.00 0.00 H new ATOM 0 HG3 GLU A 105 86.323 -2.588 -18.460 1.00 0.00 H new ATOM 1636 N PHE A 106 86.630 1.968 -20.515 1.00 0.00 N ATOM 1637 CA PHE A 106 86.161 3.109 -21.350 1.00 0.00 C ATOM 1638 C PHE A 106 86.342 4.429 -20.593 1.00 0.00 C ATOM 1639 O PHE A 106 85.428 5.221 -20.482 1.00 0.00 O ATOM 1640 CB PHE A 106 84.678 2.835 -21.601 1.00 0.00 C ATOM 1641 CG PHE A 106 84.515 1.472 -22.231 1.00 0.00 C ATOM 1642 CD1 PHE A 106 84.739 1.304 -23.604 1.00 0.00 C ATOM 1643 CD2 PHE A 106 84.141 0.376 -21.444 1.00 0.00 C ATOM 1644 CE1 PHE A 106 84.587 0.041 -24.189 1.00 0.00 C ATOM 1645 CE2 PHE A 106 83.990 -0.887 -22.029 1.00 0.00 C ATOM 1646 CZ PHE A 106 84.212 -1.054 -23.401 1.00 0.00 C ATOM 0 H PHE A 106 86.628 2.136 -19.509 1.00 0.00 H new ATOM 0 HA PHE A 106 86.722 3.197 -22.280 1.00 0.00 H new ATOM 0 HB2 PHE A 106 84.125 2.882 -20.663 1.00 0.00 H new ATOM 0 HB3 PHE A 106 84.262 3.601 -22.255 1.00 0.00 H new ATOM 0 HD1 PHE A 106 85.029 2.149 -24.211 1.00 0.00 H new ATOM 0 HD2 PHE A 106 83.969 0.505 -20.386 1.00 0.00 H new ATOM 0 HE1 PHE A 106 84.759 -0.089 -25.247 1.00 0.00 H new ATOM 0 HE2 PHE A 106 83.702 -1.732 -21.422 1.00 0.00 H new ATOM 0 HZ PHE A 106 84.094 -2.028 -23.852 1.00 0.00 H new ATOM 1656 N ILE A 107 87.515 4.670 -20.074 1.00 0.00 N ATOM 1657 CA ILE A 107 87.750 5.937 -19.327 1.00 0.00 C ATOM 1658 C ILE A 107 88.019 7.087 -20.302 1.00 0.00 C ATOM 1659 O ILE A 107 87.229 8.000 -20.433 1.00 0.00 O ATOM 1660 CB ILE A 107 88.983 5.667 -18.466 1.00 0.00 C ATOM 1661 CG1 ILE A 107 88.699 4.493 -17.526 1.00 0.00 C ATOM 1662 CG2 ILE A 107 89.312 6.912 -17.640 1.00 0.00 C ATOM 1663 CD1 ILE A 107 89.907 4.267 -16.616 1.00 0.00 C ATOM 0 H ILE A 107 88.319 4.045 -20.135 1.00 0.00 H new ATOM 0 HA ILE A 107 86.888 6.226 -18.726 1.00 0.00 H new ATOM 0 HB ILE A 107 89.829 5.424 -19.109 1.00 0.00 H new ATOM 0 HG12 ILE A 107 87.812 4.699 -16.927 1.00 0.00 H new ATOM 0 HG13 ILE A 107 88.491 3.592 -18.104 1.00 0.00 H new ATOM 0 HG21 ILE A 107 90.192 6.719 -17.026 1.00 0.00 H new ATOM 0 HG22 ILE A 107 89.512 7.749 -18.308 1.00 0.00 H new ATOM 0 HG23 ILE A 107 88.467 7.156 -16.997 1.00 0.00 H new ATOM 0 HD11 ILE A 107 89.706 3.431 -15.946 1.00 0.00 H new ATOM 0 HD12 ILE A 107 90.783 4.042 -17.224 1.00 0.00 H new ATOM 0 HD13 ILE A 107 90.093 5.166 -16.029 1.00 0.00 H new ATOM 1675 N VAL A 108 89.129 7.046 -20.989 1.00 0.00 N ATOM 1676 CA VAL A 108 89.448 8.134 -21.955 1.00 0.00 C ATOM 1677 C VAL A 108 89.946 7.539 -23.275 1.00 0.00 C ATOM 1678 O VAL A 108 90.550 6.486 -23.305 1.00 0.00 O ATOM 1679 CB VAL A 108 90.552 8.951 -21.284 1.00 0.00 C ATOM 1680 CG1 VAL A 108 90.819 10.217 -22.101 1.00 0.00 C ATOM 1681 CG2 VAL A 108 90.111 9.341 -19.871 1.00 0.00 C ATOM 0 H VAL A 108 89.828 6.306 -20.922 1.00 0.00 H new ATOM 0 HA VAL A 108 88.577 8.745 -22.191 1.00 0.00 H new ATOM 0 HB VAL A 108 91.463 8.354 -21.230 1.00 0.00 H new ATOM 0 HG11 VAL A 108 91.606 10.800 -21.622 1.00 0.00 H new ATOM 0 HG12 VAL A 108 91.133 9.941 -23.108 1.00 0.00 H new ATOM 0 HG13 VAL A 108 89.908 10.814 -22.156 1.00 0.00 H new ATOM 0 HG21 VAL A 108 90.898 9.924 -19.392 1.00 0.00 H new ATOM 0 HG22 VAL A 108 89.200 9.937 -19.926 1.00 0.00 H new ATOM 0 HG23 VAL A 108 89.920 8.440 -19.288 1.00 0.00 H new ATOM 1691 N THR A 109 89.696 8.207 -24.368 1.00 0.00 N ATOM 1692 CA THR A 109 90.153 7.679 -25.686 1.00 0.00 C ATOM 1693 C THR A 109 91.673 7.498 -25.685 1.00 0.00 C ATOM 1694 O THR A 109 92.224 6.789 -26.504 1.00 0.00 O ATOM 1695 CB THR A 109 89.740 8.743 -26.704 1.00 0.00 C ATOM 1696 OG1 THR A 109 90.169 10.020 -26.252 1.00 0.00 O ATOM 1697 CG2 THR A 109 88.218 8.739 -26.860 1.00 0.00 C ATOM 0 H THR A 109 89.195 9.095 -24.406 1.00 0.00 H new ATOM 0 HA THR A 109 89.718 6.706 -25.914 1.00 0.00 H new ATOM 0 HB THR A 109 90.202 8.524 -27.667 1.00 0.00 H new ATOM 0 HG1 THR A 109 89.907 10.703 -26.904 1.00 0.00 H new ATOM 0 HG21 THR A 109 87.925 9.498 -27.586 1.00 0.00 H new ATOM 0 HG22 THR A 109 87.890 7.759 -27.207 1.00 0.00 H new ATOM 0 HG23 THR A 109 87.753 8.958 -25.899 1.00 0.00 H new ATOM 1705 N ASP A 110 92.355 8.135 -24.773 1.00 0.00 N ATOM 1706 CA ASP A 110 93.840 7.998 -24.721 1.00 0.00 C ATOM 1707 C ASP A 110 94.229 6.751 -23.922 1.00 0.00 C ATOM 1708 O ASP A 110 95.048 6.877 -23.026 1.00 0.00 O ATOM 1709 CB ASP A 110 94.328 9.263 -24.015 1.00 0.00 C ATOM 1710 CG ASP A 110 95.858 9.264 -23.973 1.00 0.00 C ATOM 1711 OD1 ASP A 110 96.458 8.921 -24.978 1.00 0.00 O ATOM 1712 OD2 ASP A 110 96.402 9.609 -22.937 1.00 0.00 O ATOM 1713 OXT ASP A 110 93.702 5.692 -24.220 1.00 0.00 O ATOM 0 H ASP A 110 91.950 8.744 -24.062 1.00 0.00 H new ATOM 0 HA ASP A 110 94.281 7.888 -25.712 1.00 0.00 H new ATOM 0 HB2 ASP A 110 93.967 10.148 -24.540 1.00 0.00 H new ATOM 0 HB3 ASP A 110 93.925 9.306 -23.003 1.00 0.00 H new TER 1718 ASP A 110 HETATM 1719 CA CA A 111 74.517 0.327 8.763 1.00 0.00 CA