USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 810 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 90 LYS NZ :NH3+ -168:sc= 1.11 (180deg=0.99) USER MOD Set 1.2: A 91 SER OG : rot 164:sc= 1.13 USER MOD Set 2.1: A 19 THR OG1 : rot 90:sc= -2.37! USER MOD Set 2.2: A 105 LYS NZ :NH3+ -179:sc= 0.456 (180deg=0.398) USER MOD Set 3.1: A 15 LYS NZ :NH3+ 178:sc= 1.06 (180deg=0.921) USER MOD Set 3.2: A 78 GLN : amide:sc= -2.88! C(o=-1.8!,f=-4.1!) USER MOD Single : A 2 SER OG : rot 27:sc= 0.123 USER MOD Single : A 4 ASN : amide:sc= -2.48! C(o=-2.5!,f=-7.3!) USER MOD Single : A 11 GLN : amide:sc= -1.02 K(o=-1,f=-2.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 1.19 (180deg=1.09) USER MOD Single : A 29 SER OG : rot 61:sc= 0.623 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.537 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 39 SER OG : rot -160:sc= -0.596 USER MOD Single : A 41 SER OG : rot -170:sc= -2.39! USER MOD Single : A 46 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.022) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= -0.0832 (180deg=-0.441) USER MOD Single : A 61 MET CE :methyl -138:sc= 0 (180deg=-0.923) USER MOD Single : A 62 THR OG1 : rot 180:sc=6.36e-05 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0.469 (180deg=0.457) USER MOD Single : A 67 ASN : amide:sc=-6.55e-05 K(o=-6.5e-05,f=-5.6!) USER MOD Single : A 72 ASN : amide:sc= -0.371 K(o=-0.37,f=-2.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -138:sc= 0.897 (180deg=-0.684) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot -7:sc= -0.6 USER MOD Single : A 100 LYS NZ :NH3+ 157:sc= 1.96 (180deg=0.741) USER MOD Single : A 104 ASN : amide:sc=-0.00151 K(o=-0.0015,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 14 N SER A 2 -5.311 21.246 -3.715 1.00 0.00 N ATOM 15 CA SER A 2 -5.091 20.590 -4.995 1.00 0.00 C ATOM 16 C SER A 2 -3.878 19.666 -4.917 1.00 0.00 C ATOM 17 O SER A 2 -2.760 20.037 -5.279 1.00 0.00 O ATOM 18 CB SER A 2 -4.915 21.629 -6.100 1.00 0.00 C ATOM 19 OG SER A 2 -6.020 22.517 -6.135 1.00 0.00 O ATOM 0 HA SER A 2 -5.965 19.984 -5.234 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.996 22.191 -5.934 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.814 21.129 -7.063 1.00 0.00 H new ATOM 0 HG SER A 2 -6.422 22.574 -5.243 1.00 0.00 H new ATOM 25 N ARG A 3 -4.116 18.478 -4.393 1.00 0.00 N ATOM 26 CA ARG A 3 -3.087 17.477 -4.219 1.00 0.00 C ATOM 27 C ARG A 3 -3.688 16.118 -4.533 1.00 0.00 C ATOM 28 O ARG A 3 -4.767 15.791 -4.023 1.00 0.00 O ATOM 29 CB ARG A 3 -2.566 17.517 -2.777 1.00 0.00 C ATOM 30 CG ARG A 3 -1.348 16.642 -2.514 1.00 0.00 C ATOM 31 CD ARG A 3 -0.135 17.125 -3.292 1.00 0.00 C ATOM 32 NE ARG A 3 1.098 16.490 -2.829 1.00 0.00 N ATOM 33 CZ ARG A 3 2.142 16.213 -3.609 1.00 0.00 C ATOM 34 NH1 ARG A 3 2.120 16.508 -4.902 1.00 0.00 N ATOM 35 NH2 ARG A 3 3.223 15.653 -3.087 1.00 0.00 N ATOM 0 H ARG A 3 -5.038 18.181 -4.074 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.249 17.670 -4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.317 18.548 -2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.369 17.209 -2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.122 16.643 -1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.572 15.612 -2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.276 16.914 -4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.046 18.207 -3.191 1.00 0.00 H new ATOM 0 HE ARG A 3 1.163 16.242 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.297 16.952 -5.310 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.926 16.291 -5.488 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.254 15.435 -2.091 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.024 15.439 -3.681 1.00 0.00 H new ATOM 49 N ASN A 4 -3.022 15.354 -5.391 1.00 0.00 N ATOM 50 CA ASN A 4 -3.514 14.041 -5.792 1.00 0.00 C ATOM 51 C ASN A 4 -2.370 13.072 -6.043 1.00 0.00 C ATOM 52 O ASN A 4 -1.339 13.446 -6.606 1.00 0.00 O ATOM 53 CB ASN A 4 -4.365 14.135 -7.060 1.00 0.00 C ATOM 54 CG ASN A 4 -5.773 14.611 -6.783 1.00 0.00 C ATOM 55 OD1 ASN A 4 -6.659 13.812 -6.493 1.00 0.00 O ATOM 56 ND2 ASN A 4 -5.991 15.912 -6.887 1.00 0.00 N ATOM 0 H ASN A 4 -2.138 15.622 -5.823 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.125 13.670 -4.969 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.887 14.817 -7.764 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.404 13.157 -7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.925 16.287 -6.724 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.225 16.540 -7.130 1.00 0.00 H new ATOM 63 N PRO A 5 -2.535 11.820 -5.597 1.00 0.00 N ATOM 64 CA PRO A 5 -1.623 10.732 -5.899 1.00 0.00 C ATOM 65 C PRO A 5 -2.109 9.919 -7.099 1.00 0.00 C ATOM 66 O PRO A 5 -2.858 10.424 -7.936 1.00 0.00 O ATOM 67 CB PRO A 5 -1.679 9.904 -4.615 1.00 0.00 C ATOM 68 CG PRO A 5 -3.045 10.142 -4.042 1.00 0.00 C ATOM 69 CD PRO A 5 -3.627 11.356 -4.734 1.00 0.00 C ATOM 0 HA PRO A 5 -0.620 11.063 -6.167 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.520 8.846 -4.823 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.901 10.212 -3.916 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.682 9.271 -4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.986 10.306 -2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.514 11.100 -5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.924 12.122 -4.017 1.00 0.00 H new ATOM 77 N GLU A 6 -1.686 8.666 -7.180 1.00 0.00 N ATOM 78 CA GLU A 6 -2.121 7.791 -8.257 1.00 0.00 C ATOM 79 C GLU A 6 -3.446 7.135 -7.922 1.00 0.00 C ATOM 80 O GLU A 6 -3.654 6.657 -6.804 1.00 0.00 O ATOM 81 CB GLU A 6 -1.078 6.719 -8.541 1.00 0.00 C ATOM 82 CG GLU A 6 0.159 7.239 -9.239 1.00 0.00 C ATOM 83 CD GLU A 6 -0.102 7.656 -10.672 1.00 0.00 C ATOM 84 OE1 GLU A 6 -0.905 8.581 -10.900 1.00 0.00 O ATOM 85 OE2 GLU A 6 0.493 7.045 -11.583 1.00 0.00 O ATOM 0 H GLU A 6 -1.044 8.234 -6.515 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.248 8.406 -9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.784 6.253 -7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.530 5.940 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.552 8.091 -8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.929 6.467 -9.225 1.00 0.00 H new ATOM 92 N VAL A 7 -4.328 7.106 -8.902 1.00 0.00 N ATOM 93 CA VAL A 7 -5.655 6.526 -8.730 1.00 0.00 C ATOM 94 C VAL A 7 -5.947 5.518 -9.837 1.00 0.00 C ATOM 95 O VAL A 7 -6.113 5.888 -10.998 1.00 0.00 O ATOM 96 CB VAL A 7 -6.756 7.611 -8.729 1.00 0.00 C ATOM 97 CG1 VAL A 7 -8.130 6.989 -8.524 1.00 0.00 C ATOM 98 CG2 VAL A 7 -6.483 8.661 -7.661 1.00 0.00 C ATOM 0 H VAL A 7 -4.152 7.479 -9.835 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.662 6.023 -7.763 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.743 8.101 -9.702 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.888 7.772 -8.527 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.334 6.284 -9.330 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.153 6.465 -7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.272 9.413 -7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.459 8.185 -6.681 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.522 9.137 -7.856 1.00 0.00 H new ATOM 108 N LEU A 8 -5.997 4.247 -9.472 1.00 0.00 N ATOM 109 CA LEU A 8 -6.282 3.185 -10.423 1.00 0.00 C ATOM 110 C LEU A 8 -7.694 2.648 -10.216 1.00 0.00 C ATOM 111 O LEU A 8 -8.062 2.265 -9.104 1.00 0.00 O ATOM 112 CB LEU A 8 -5.274 2.048 -10.256 1.00 0.00 C ATOM 113 CG LEU A 8 -3.810 2.475 -10.250 1.00 0.00 C ATOM 114 CD1 LEU A 8 -2.907 1.302 -9.890 1.00 0.00 C ATOM 115 CD2 LEU A 8 -3.414 3.053 -11.599 1.00 0.00 C ATOM 0 H LEU A 8 -5.843 3.924 -8.517 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.203 3.594 -11.430 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.488 1.528 -9.322 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.423 1.330 -11.062 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.687 3.249 -9.493 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.867 1.629 -9.892 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.169 0.932 -8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.038 0.504 -10.621 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.366 3.351 -11.573 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.558 2.300 -12.374 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.034 3.923 -11.818 1.00 0.00 H new ATOM 127 N TRP A 9 -8.486 2.627 -11.277 1.00 0.00 N ATOM 128 CA TRP A 9 -9.838 2.097 -11.191 1.00 0.00 C ATOM 129 C TRP A 9 -9.904 0.673 -11.726 1.00 0.00 C ATOM 130 O TRP A 9 -9.155 0.290 -12.630 1.00 0.00 O ATOM 131 CB TRP A 9 -10.841 2.992 -11.939 1.00 0.00 C ATOM 132 CG TRP A 9 -10.590 3.097 -13.414 1.00 0.00 C ATOM 133 CD1 TRP A 9 -9.588 3.790 -14.014 1.00 0.00 C ATOM 134 CD2 TRP A 9 -11.361 2.506 -14.469 1.00 0.00 C ATOM 135 NE1 TRP A 9 -9.674 3.664 -15.381 1.00 0.00 N ATOM 136 CE2 TRP A 9 -10.759 2.884 -15.684 1.00 0.00 C ATOM 137 CE3 TRP A 9 -12.499 1.696 -14.502 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -11.257 2.473 -16.919 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -12.991 1.292 -15.728 1.00 0.00 C ATOM 140 CH2 TRP A 9 -12.373 1.682 -16.922 1.00 0.00 C ATOM 0 H TRP A 9 -8.219 2.968 -12.201 1.00 0.00 H new ATOM 0 HA TRP A 9 -10.113 2.084 -10.136 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -11.847 2.603 -11.780 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.813 3.991 -11.505 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.832 4.358 -13.493 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.035 4.082 -16.058 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -12.985 1.392 -13.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -10.779 2.769 -17.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -13.869 0.664 -15.766 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -12.785 1.352 -17.864 1.00 0.00 H new ATOM 151 N ALA A 10 -10.804 -0.099 -11.145 1.00 0.00 N ATOM 152 CA ALA A 10 -11.030 -1.485 -11.535 1.00 0.00 C ATOM 153 C ALA A 10 -12.493 -1.843 -11.306 1.00 0.00 C ATOM 154 O ALA A 10 -13.232 -1.061 -10.708 1.00 0.00 O ATOM 155 CB ALA A 10 -10.115 -2.419 -10.749 1.00 0.00 C ATOM 0 H ALA A 10 -11.405 0.217 -10.384 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.797 -1.603 -12.593 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.298 -3.449 -11.054 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.075 -2.161 -10.948 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.317 -2.315 -9.683 1.00 0.00 H new ATOM 161 N GLN A 11 -12.921 -3.011 -11.765 1.00 0.00 N ATOM 162 CA GLN A 11 -14.324 -3.381 -11.645 1.00 0.00 C ATOM 163 C GLN A 11 -14.503 -4.884 -11.473 1.00 0.00 C ATOM 164 O GLN A 11 -13.589 -5.670 -11.722 1.00 0.00 O ATOM 165 CB GLN A 11 -15.111 -2.885 -12.871 1.00 0.00 C ATOM 166 CG GLN A 11 -14.657 -3.479 -14.205 1.00 0.00 C ATOM 167 CD GLN A 11 -15.244 -4.855 -14.475 1.00 0.00 C ATOM 168 OE1 GLN A 11 -16.359 -5.160 -14.050 1.00 0.00 O ATOM 169 NE2 GLN A 11 -14.491 -5.699 -15.165 1.00 0.00 N ATOM 0 H GLN A 11 -12.329 -3.708 -12.216 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.716 -2.901 -10.748 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.166 -3.116 -12.726 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.027 -1.800 -12.925 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.942 -2.804 -15.012 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.569 -3.546 -14.215 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.573 -5.407 -15.499 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.830 -6.641 -15.362 1.00 0.00 H new ATOM 178 N ARG A 12 -15.690 -5.253 -11.019 1.00 0.00 N ATOM 179 CA ARG A 12 -16.137 -6.640 -10.982 1.00 0.00 C ATOM 180 C ARG A 12 -17.626 -6.670 -11.288 1.00 0.00 C ATOM 181 O ARG A 12 -18.246 -5.612 -11.392 1.00 0.00 O ATOM 182 CB ARG A 12 -15.853 -7.282 -9.620 1.00 0.00 C ATOM 183 CG ARG A 12 -14.483 -7.935 -9.521 1.00 0.00 C ATOM 184 CD ARG A 12 -14.375 -9.128 -10.460 1.00 0.00 C ATOM 185 NE ARG A 12 -13.058 -9.760 -10.401 1.00 0.00 N ATOM 186 CZ ARG A 12 -12.866 -11.077 -10.302 1.00 0.00 C ATOM 187 NH1 ARG A 12 -13.904 -11.903 -10.229 1.00 0.00 N ATOM 188 NH2 ARG A 12 -11.632 -11.569 -10.278 1.00 0.00 N ATOM 0 H ARG A 12 -16.379 -4.592 -10.661 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.589 -7.217 -11.727 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.939 -6.520 -8.845 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -16.618 -8.031 -9.416 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.711 -7.205 -9.765 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.304 -8.258 -8.495 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.140 -9.861 -10.203 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.575 -8.804 -11.481 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.236 -9.158 -10.438 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.854 -11.532 -10.249 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.751 -12.909 -10.153 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.831 -10.940 -10.335 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.486 -12.576 -10.202 1.00 0.00 H new ATOM 202 N SER A 13 -18.200 -7.856 -11.426 1.00 0.00 N ATOM 203 CA SER A 13 -19.618 -7.984 -11.753 1.00 0.00 C ATOM 204 C SER A 13 -20.488 -7.755 -10.518 1.00 0.00 C ATOM 205 O SER A 13 -21.258 -8.631 -10.117 1.00 0.00 O ATOM 206 CB SER A 13 -19.892 -9.373 -12.332 1.00 0.00 C ATOM 207 OG SER A 13 -18.964 -9.688 -13.356 1.00 0.00 O ATOM 0 H SER A 13 -17.709 -8.744 -11.317 1.00 0.00 H new ATOM 0 HA SER A 13 -19.870 -7.225 -12.493 1.00 0.00 H new ATOM 0 HB2 SER A 13 -19.832 -10.119 -11.540 1.00 0.00 H new ATOM 0 HB3 SER A 13 -20.906 -9.411 -12.731 1.00 0.00 H new ATOM 0 HG SER A 13 -19.158 -10.581 -13.710 1.00 0.00 H new ATOM 213 N ASP A 14 -20.350 -6.574 -9.920 1.00 0.00 N ATOM 214 CA ASP A 14 -21.067 -6.226 -8.696 1.00 0.00 C ATOM 215 C ASP A 14 -20.671 -4.826 -8.230 1.00 0.00 C ATOM 216 O ASP A 14 -21.508 -3.919 -8.118 1.00 0.00 O ATOM 217 CB ASP A 14 -20.751 -7.255 -7.602 1.00 0.00 C ATOM 218 CG ASP A 14 -21.414 -6.957 -6.272 1.00 0.00 C ATOM 219 OD1 ASP A 14 -22.657 -6.849 -6.225 1.00 0.00 O ATOM 220 OD2 ASP A 14 -20.686 -6.876 -5.261 1.00 0.00 O ATOM 0 H ASP A 14 -19.741 -5.834 -10.269 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.138 -6.235 -8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -21.067 -8.241 -7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -19.671 -7.298 -7.458 1.00 0.00 H new ATOM 225 N LYS A 15 -19.379 -4.644 -8.000 1.00 0.00 N ATOM 226 CA LYS A 15 -18.871 -3.396 -7.449 1.00 0.00 C ATOM 227 C LYS A 15 -17.781 -2.783 -8.324 1.00 0.00 C ATOM 228 O LYS A 15 -17.411 -3.328 -9.371 1.00 0.00 O ATOM 229 CB LYS A 15 -18.328 -3.630 -6.040 1.00 0.00 C ATOM 230 CG LYS A 15 -17.372 -4.812 -5.939 1.00 0.00 C ATOM 231 CD LYS A 15 -16.772 -4.937 -4.547 1.00 0.00 C ATOM 232 CE LYS A 15 -17.845 -5.039 -3.471 1.00 0.00 C ATOM 233 NZ LYS A 15 -18.710 -6.235 -3.644 1.00 0.00 N ATOM 0 H LYS A 15 -18.662 -5.346 -8.187 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.703 -2.693 -7.415 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.814 -2.729 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -19.165 -3.792 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.902 -5.731 -6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.572 -4.696 -6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.132 -5.818 -4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.138 -4.073 -4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.370 -5.076 -2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.463 -4.141 -3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.402 -6.278 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.212 -6.172 -4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.123 -7.093 -3.632 1.00 0.00 H new ATOM 247 N VAL A 16 -17.301 -1.633 -7.881 1.00 0.00 N ATOM 248 CA VAL A 16 -16.194 -0.931 -8.507 1.00 0.00 C ATOM 249 C VAL A 16 -15.042 -0.833 -7.514 1.00 0.00 C ATOM 250 O VAL A 16 -15.269 -0.725 -6.308 1.00 0.00 O ATOM 251 CB VAL A 16 -16.601 0.501 -8.940 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.481 1.183 -9.713 1.00 0.00 C ATOM 253 CG2 VAL A 16 -17.875 0.475 -9.765 1.00 0.00 C ATOM 0 H VAL A 16 -17.676 -1.153 -7.063 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.897 -1.489 -9.395 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.787 1.079 -8.035 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.797 2.185 -10.003 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.593 1.250 -9.084 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.250 0.603 -10.606 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.140 1.491 -10.057 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -17.718 -0.130 -10.658 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.683 0.045 -9.173 1.00 0.00 H new ATOM 263 N TYR A 17 -13.819 -0.885 -8.012 1.00 0.00 N ATOM 264 CA TYR A 17 -12.648 -0.752 -7.165 1.00 0.00 C ATOM 265 C TYR A 17 -11.933 0.559 -7.432 1.00 0.00 C ATOM 266 O TYR A 17 -11.651 0.897 -8.581 1.00 0.00 O ATOM 267 CB TYR A 17 -11.671 -1.903 -7.398 1.00 0.00 C ATOM 268 CG TYR A 17 -12.070 -3.207 -6.750 1.00 0.00 C ATOM 269 CD1 TYR A 17 -12.832 -3.231 -5.587 1.00 0.00 C ATOM 270 CD2 TYR A 17 -11.665 -4.417 -7.292 1.00 0.00 C ATOM 271 CE1 TYR A 17 -13.174 -4.426 -4.986 1.00 0.00 C ATOM 272 CE2 TYR A 17 -12.006 -5.615 -6.700 1.00 0.00 C ATOM 273 CZ TYR A 17 -12.758 -5.616 -5.547 1.00 0.00 C ATOM 274 OH TYR A 17 -13.086 -6.809 -4.952 1.00 0.00 O ATOM 0 H TYR A 17 -13.611 -1.019 -9.002 1.00 0.00 H new ATOM 0 HA TYR A 17 -12.993 -0.774 -6.131 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.567 -2.063 -8.471 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.690 -1.611 -7.023 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.161 -2.301 -5.147 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.072 -4.422 -8.194 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -13.764 -4.429 -4.081 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.685 -6.548 -7.139 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.715 -7.549 -5.477 1.00 0.00 H new ATOM 284 N LEU A 18 -11.639 1.290 -6.372 1.00 0.00 N ATOM 285 CA LEU A 18 -10.803 2.470 -6.475 1.00 0.00 C ATOM 286 C LEU A 18 -9.534 2.231 -5.679 1.00 0.00 C ATOM 287 O LEU A 18 -9.565 2.137 -4.452 1.00 0.00 O ATOM 288 CB LEU A 18 -11.545 3.714 -5.960 1.00 0.00 C ATOM 289 CG LEU A 18 -10.886 5.065 -6.274 1.00 0.00 C ATOM 290 CD1 LEU A 18 -11.923 6.174 -6.241 1.00 0.00 C ATOM 291 CD2 LEU A 18 -9.771 5.377 -5.284 1.00 0.00 C ATOM 0 H LEU A 18 -11.968 1.086 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.553 2.652 -7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.550 3.715 -6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.654 3.627 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.453 5.002 -7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.444 7.127 -6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.695 5.972 -6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.376 6.220 -5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.323 6.339 -5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.181 5.416 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.010 4.599 -5.336 1.00 0.00 H new ATOM 303 N THR A 19 -8.427 2.096 -6.382 1.00 0.00 N ATOM 304 CA THR A 19 -7.158 1.794 -5.754 1.00 0.00 C ATOM 305 C THR A 19 -6.236 3.009 -5.800 1.00 0.00 C ATOM 306 O THR A 19 -5.729 3.377 -6.859 1.00 0.00 O ATOM 307 CB THR A 19 -6.496 0.598 -6.457 1.00 0.00 C ATOM 308 OG1 THR A 19 -7.425 -0.491 -6.504 1.00 0.00 O ATOM 309 CG2 THR A 19 -5.237 0.157 -5.731 1.00 0.00 C ATOM 0 H THR A 19 -8.382 2.192 -7.397 1.00 0.00 H new ATOM 0 HA THR A 19 -7.337 1.537 -4.710 1.00 0.00 H new ATOM 0 HB THR A 19 -6.216 0.903 -7.465 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.953 -0.435 -7.327 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.793 -0.690 -6.254 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.524 0.981 -5.705 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.489 -0.137 -4.712 1.00 0.00 H new ATOM 317 N VAL A 20 -6.038 3.631 -4.649 1.00 0.00 N ATOM 318 CA VAL A 20 -5.235 4.837 -4.575 1.00 0.00 C ATOM 319 C VAL A 20 -3.900 4.549 -3.891 1.00 0.00 C ATOM 320 O VAL A 20 -3.839 3.801 -2.908 1.00 0.00 O ATOM 321 CB VAL A 20 -5.993 5.971 -3.837 1.00 0.00 C ATOM 322 CG1 VAL A 20 -6.183 5.651 -2.363 1.00 0.00 C ATOM 323 CG2 VAL A 20 -5.288 7.310 -4.025 1.00 0.00 C ATOM 0 H VAL A 20 -6.422 3.321 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.039 5.174 -5.593 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.985 6.047 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.718 6.468 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.758 4.731 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.209 5.524 -1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.839 8.089 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.276 7.248 -3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.244 7.552 -5.087 1.00 0.00 H new ATOM 333 N ALA A 21 -2.829 5.105 -4.441 1.00 0.00 N ATOM 334 CA ALA A 21 -1.516 4.970 -3.837 1.00 0.00 C ATOM 335 C ALA A 21 -1.384 5.951 -2.682 1.00 0.00 C ATOM 336 O ALA A 21 -1.053 7.120 -2.879 1.00 0.00 O ATOM 337 CB ALA A 21 -0.426 5.204 -4.873 1.00 0.00 C ATOM 0 H ALA A 21 -2.846 5.652 -5.302 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.401 3.956 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.552 5.099 -4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.523 4.472 -5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.525 6.209 -5.284 1.00 0.00 H new ATOM 343 N LEU A 22 -1.660 5.470 -1.485 1.00 0.00 N ATOM 344 CA LEU A 22 -1.710 6.328 -0.319 1.00 0.00 C ATOM 345 C LEU A 22 -1.299 5.553 0.928 1.00 0.00 C ATOM 346 O LEU A 22 -1.964 4.593 1.317 1.00 0.00 O ATOM 347 CB LEU A 22 -3.126 6.891 -0.163 1.00 0.00 C ATOM 348 CG LEU A 22 -3.266 8.075 0.792 1.00 0.00 C ATOM 349 CD1 LEU A 22 -2.335 9.201 0.377 1.00 0.00 C ATOM 350 CD2 LEU A 22 -4.709 8.561 0.813 1.00 0.00 C ATOM 0 H LEU A 22 -1.853 4.487 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.011 7.154 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.486 7.196 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.780 6.090 0.182 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.990 7.751 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.446 10.038 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.304 8.847 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.586 9.527 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.799 9.405 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.002 8.873 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.360 7.753 1.147 1.00 0.00 H new ATOM 362 N PRO A 23 -0.185 5.953 1.557 1.00 0.00 N ATOM 363 CA PRO A 23 0.351 5.260 2.728 1.00 0.00 C ATOM 364 C PRO A 23 -0.375 5.604 4.033 1.00 0.00 C ATOM 365 O PRO A 23 -0.723 4.708 4.807 1.00 0.00 O ATOM 366 CB PRO A 23 1.801 5.742 2.779 1.00 0.00 C ATOM 367 CG PRO A 23 1.782 7.099 2.162 1.00 0.00 C ATOM 368 CD PRO A 23 0.657 7.100 1.157 1.00 0.00 C ATOM 0 HA PRO A 23 0.236 4.180 2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.168 5.781 3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.460 5.069 2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.625 7.867 2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.734 7.318 1.678 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.097 8.035 1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.031 6.984 0.140 1.00 0.00 H new ATOM 376 N ASP A 24 -0.607 6.889 4.281 1.00 0.00 N ATOM 377 CA ASP A 24 -1.160 7.321 5.562 1.00 0.00 C ATOM 378 C ASP A 24 -2.181 8.441 5.382 1.00 0.00 C ATOM 379 O ASP A 24 -1.830 9.572 5.034 1.00 0.00 O ATOM 380 CB ASP A 24 -0.032 7.788 6.487 1.00 0.00 C ATOM 381 CG ASP A 24 -0.521 8.143 7.874 1.00 0.00 C ATOM 382 OD1 ASP A 24 -0.899 9.308 8.097 1.00 0.00 O ATOM 383 OD2 ASP A 24 -0.519 7.256 8.750 1.00 0.00 O ATOM 0 H ASP A 24 -0.423 7.644 3.620 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.671 6.469 6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.719 7.002 6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.458 8.656 6.046 1.00 0.00 H new ATOM 388 N ALA A 25 -3.443 8.119 5.621 1.00 0.00 N ATOM 389 CA ALA A 25 -4.518 9.087 5.495 1.00 0.00 C ATOM 390 C ALA A 25 -5.460 9.015 6.690 1.00 0.00 C ATOM 391 O ALA A 25 -5.318 8.143 7.551 1.00 0.00 O ATOM 392 CB ALA A 25 -5.286 8.859 4.204 1.00 0.00 C ATOM 0 H ALA A 25 -3.748 7.188 5.905 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.076 10.083 5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.089 9.592 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.611 8.966 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.711 7.855 4.206 1.00 0.00 H new ATOM 398 N LYS A 26 -6.399 9.951 6.744 1.00 0.00 N ATOM 399 CA LYS A 26 -7.399 10.012 7.798 1.00 0.00 C ATOM 400 C LYS A 26 -8.544 10.908 7.345 1.00 0.00 C ATOM 401 O LYS A 26 -8.408 11.623 6.347 1.00 0.00 O ATOM 402 CB LYS A 26 -6.793 10.553 9.100 1.00 0.00 C ATOM 403 CG LYS A 26 -6.425 12.024 9.036 1.00 0.00 C ATOM 404 CD LYS A 26 -5.689 12.469 10.286 1.00 0.00 C ATOM 405 CE LYS A 26 -5.439 13.966 10.269 1.00 0.00 C ATOM 406 NZ LYS A 26 -6.672 14.744 10.562 1.00 0.00 N ATOM 0 H LYS A 26 -6.487 10.694 6.051 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.769 9.005 7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.504 10.400 9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.902 9.975 9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.801 12.206 8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.329 12.621 8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.272 12.204 11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.739 11.939 10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.672 14.213 11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.051 14.257 9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.494 15.754 10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.443 14.419 9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.943 14.604 11.556 1.00 0.00 H new ATOM 420 N ASP A 27 -9.667 10.865 8.068 1.00 0.00 N ATOM 421 CA ASP A 27 -10.833 11.706 7.764 1.00 0.00 C ATOM 422 C ASP A 27 -11.305 11.501 6.327 1.00 0.00 C ATOM 423 O ASP A 27 -11.932 12.382 5.738 1.00 0.00 O ATOM 424 CB ASP A 27 -10.509 13.191 7.979 1.00 0.00 C ATOM 425 CG ASP A 27 -10.041 13.503 9.384 1.00 0.00 C ATOM 426 OD1 ASP A 27 -10.613 12.957 10.349 1.00 0.00 O ATOM 427 OD2 ASP A 27 -9.093 14.307 9.530 1.00 0.00 O ATOM 0 H ASP A 27 -9.795 10.253 8.874 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.630 11.407 8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.738 13.494 7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.396 13.785 7.758 1.00 0.00 H new ATOM 432 N ILE A 28 -11.012 10.328 5.779 1.00 0.00 N ATOM 433 CA ILE A 28 -11.308 10.037 4.385 1.00 0.00 C ATOM 434 C ILE A 28 -12.812 10.087 4.129 1.00 0.00 C ATOM 435 O ILE A 28 -13.561 9.205 4.555 1.00 0.00 O ATOM 436 CB ILE A 28 -10.750 8.655 3.972 1.00 0.00 C ATOM 437 CG1 ILE A 28 -9.248 8.580 4.273 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.014 8.395 2.496 1.00 0.00 C ATOM 439 CD1 ILE A 28 -8.630 7.222 4.000 1.00 0.00 C ATOM 0 H ILE A 28 -10.568 9.561 6.283 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.821 10.801 3.779 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.259 7.885 4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.730 9.330 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.084 8.838 5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.615 7.418 2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.088 8.414 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.528 9.166 1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.567 7.252 4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.119 6.469 4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.759 6.968 2.948 1.00 0.00 H new ATOM 451 N SER A 29 -13.243 11.136 3.449 1.00 0.00 N ATOM 452 CA SER A 29 -14.646 11.338 3.156 1.00 0.00 C ATOM 453 C SER A 29 -14.886 11.269 1.651 1.00 0.00 C ATOM 454 O SER A 29 -14.389 12.103 0.891 1.00 0.00 O ATOM 455 CB SER A 29 -15.087 12.691 3.706 1.00 0.00 C ATOM 456 OG SER A 29 -14.663 12.845 5.051 1.00 0.00 O ATOM 0 H SER A 29 -12.631 11.867 3.087 1.00 0.00 H new ATOM 0 HA SER A 29 -15.232 10.551 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.671 13.491 3.094 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.172 12.777 3.649 1.00 0.00 H new ATOM 0 HG SER A 29 -13.685 12.807 5.092 1.00 0.00 H new ATOM 462 N VAL A 30 -15.627 10.269 1.219 1.00 0.00 N ATOM 463 CA VAL A 30 -15.913 10.120 -0.195 1.00 0.00 C ATOM 464 C VAL A 30 -17.376 10.425 -0.479 1.00 0.00 C ATOM 465 O VAL A 30 -18.271 9.707 -0.024 1.00 0.00 O ATOM 466 CB VAL A 30 -15.575 8.701 -0.701 1.00 0.00 C ATOM 467 CG1 VAL A 30 -15.736 8.617 -2.208 1.00 0.00 C ATOM 468 CG2 VAL A 30 -14.167 8.306 -0.289 1.00 0.00 C ATOM 0 H VAL A 30 -16.039 9.554 1.819 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.282 10.832 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 30 -16.274 8.000 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -15.493 7.609 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -16.766 8.851 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -15.065 9.331 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -13.949 7.303 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.452 9.011 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.088 8.320 0.798 1.00 0.00 H new ATOM 478 N LYS A 31 -17.619 11.488 -1.226 1.00 0.00 N ATOM 479 CA LYS A 31 -18.965 11.854 -1.615 1.00 0.00 C ATOM 480 C LYS A 31 -19.140 11.568 -3.093 1.00 0.00 C ATOM 481 O LYS A 31 -18.503 12.211 -3.926 1.00 0.00 O ATOM 482 CB LYS A 31 -19.239 13.336 -1.338 1.00 0.00 C ATOM 483 CG LYS A 31 -19.198 13.712 0.134 1.00 0.00 C ATOM 484 CD LYS A 31 -20.283 12.999 0.923 1.00 0.00 C ATOM 485 CE LYS A 31 -20.342 13.493 2.362 1.00 0.00 C ATOM 486 NZ LYS A 31 -21.379 12.773 3.149 1.00 0.00 N ATOM 0 H LYS A 31 -16.895 12.115 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.673 11.268 -1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.505 13.936 -1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -20.218 13.594 -1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -18.221 13.460 0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.320 14.790 0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -21.248 13.159 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.096 11.925 0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.368 13.358 2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.555 14.562 2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -21.390 13.136 4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -22.311 12.923 2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -21.162 11.756 3.161 1.00 0.00 H new ATOM 500 N CYS A 32 -19.957 10.570 -3.410 1.00 0.00 N ATOM 501 CA CYS A 32 -20.247 10.212 -4.797 1.00 0.00 C ATOM 502 C CYS A 32 -21.757 10.185 -5.043 1.00 0.00 C ATOM 503 O CYS A 32 -22.502 9.682 -4.205 1.00 0.00 O ATOM 504 CB CYS A 32 -19.639 8.847 -5.131 1.00 0.00 C ATOM 505 SG CYS A 32 -17.839 8.797 -4.991 1.00 0.00 S ATOM 0 H CYS A 32 -20.434 9.989 -2.721 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.802 10.967 -5.445 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -20.067 8.097 -4.466 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -19.923 8.572 -6.147 1.00 0.00 H new ATOM 0 HG CYS A 32 -17.413 7.605 -5.289 1.00 0.00 H new ATOM 511 N GLU A 33 -22.217 10.744 -6.167 1.00 0.00 N ATOM 512 CA GLU A 33 -23.604 10.587 -6.572 1.00 0.00 C ATOM 513 C GLU A 33 -23.692 9.417 -7.534 1.00 0.00 C ATOM 514 O GLU A 33 -22.664 8.978 -8.050 1.00 0.00 O ATOM 515 CB GLU A 33 -24.123 11.865 -7.243 1.00 0.00 C ATOM 516 CG GLU A 33 -24.595 12.928 -6.267 1.00 0.00 C ATOM 517 CD GLU A 33 -25.902 12.565 -5.590 1.00 0.00 C ATOM 518 OE1 GLU A 33 -25.877 11.787 -4.615 1.00 0.00 O ATOM 519 OE2 GLU A 33 -26.960 13.062 -6.031 1.00 0.00 O ATOM 0 H GLU A 33 -21.649 11.303 -6.803 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.222 10.399 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -23.332 12.283 -7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -24.947 11.605 -7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -23.829 13.084 -5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -24.716 13.873 -6.796 1.00 0.00 H new ATOM 526 N PRO A 34 -24.900 8.894 -7.804 1.00 0.00 N ATOM 527 CA PRO A 34 -25.095 7.832 -8.802 1.00 0.00 C ATOM 528 C PRO A 34 -24.742 8.298 -10.217 1.00 0.00 C ATOM 529 O PRO A 34 -24.961 7.578 -11.193 1.00 0.00 O ATOM 530 CB PRO A 34 -26.593 7.513 -8.706 1.00 0.00 C ATOM 531 CG PRO A 34 -27.206 8.718 -8.080 1.00 0.00 C ATOM 532 CD PRO A 34 -26.166 9.269 -7.150 1.00 0.00 C ATOM 0 HA PRO A 34 -24.452 6.973 -8.610 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -27.019 7.320 -9.691 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -26.769 6.622 -8.103 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -27.484 9.453 -8.836 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -28.116 8.458 -7.539 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -26.257 10.349 -7.038 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -26.248 8.837 -6.153 1.00 0.00 H new ATOM 540 N GLN A 35 -24.196 9.505 -10.297 1.00 0.00 N ATOM 541 CA GLN A 35 -23.814 10.130 -11.553 1.00 0.00 C ATOM 542 C GLN A 35 -22.453 10.834 -11.421 1.00 0.00 C ATOM 543 O GLN A 35 -21.896 11.313 -12.410 1.00 0.00 O ATOM 544 CB GLN A 35 -24.888 11.144 -11.959 1.00 0.00 C ATOM 545 CG GLN A 35 -25.072 12.260 -10.941 1.00 0.00 C ATOM 546 CD GLN A 35 -26.317 13.090 -11.183 1.00 0.00 C ATOM 547 OE1 GLN A 35 -26.777 13.237 -12.314 1.00 0.00 O ATOM 548 NE2 GLN A 35 -26.869 13.645 -10.114 1.00 0.00 N ATOM 0 H GLN A 35 -24.004 10.084 -9.479 1.00 0.00 H new ATOM 0 HA GLN A 35 -23.726 9.359 -12.318 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -24.622 11.579 -12.922 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -25.837 10.625 -12.095 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -25.120 11.827 -9.942 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -24.199 12.912 -10.964 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -26.456 13.499 -9.193 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -27.707 14.219 -10.212 1.00 0.00 H new ATOM 557 N GLY A 36 -21.915 10.902 -10.199 1.00 0.00 N ATOM 558 CA GLY A 36 -20.655 11.591 -9.988 1.00 0.00 C ATOM 559 C GLY A 36 -20.687 12.501 -8.774 1.00 0.00 C ATOM 560 O GLY A 36 -21.696 13.137 -8.503 1.00 0.00 O ATOM 0 H GLY A 36 -22.329 10.494 -9.361 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -19.859 10.857 -9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -20.414 12.180 -10.873 1.00 0.00 H new ATOM 564 N LEU A 37 -19.644 12.440 -7.967 1.00 0.00 N ATOM 565 CA LEU A 37 -19.407 13.421 -6.911 1.00 0.00 C ATOM 566 C LEU A 37 -17.922 13.438 -6.539 1.00 0.00 C ATOM 567 O LEU A 37 -17.126 12.693 -7.114 1.00 0.00 O ATOM 568 CB LEU A 37 -20.314 13.241 -5.696 1.00 0.00 C ATOM 569 CG LEU A 37 -21.385 14.318 -5.498 1.00 0.00 C ATOM 570 CD1 LEU A 37 -22.092 14.112 -4.169 1.00 0.00 C ATOM 571 CD2 LEU A 37 -20.778 15.709 -5.568 1.00 0.00 C ATOM 0 H LEU A 37 -18.933 11.710 -8.021 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.676 14.400 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.809 12.273 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.690 13.207 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.114 14.230 -6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -22.852 14.883 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -22.565 13.130 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -21.367 14.175 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -21.560 16.455 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -20.025 15.817 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -20.313 15.854 -6.543 1.00 0.00 H new ATOM 583 N PHE A 38 -17.548 14.284 -5.588 1.00 0.00 N ATOM 584 CA PHE A 38 -16.135 14.539 -5.297 1.00 0.00 C ATOM 585 C PHE A 38 -15.733 13.960 -3.939 1.00 0.00 C ATOM 586 O PHE A 38 -16.559 13.819 -3.037 1.00 0.00 O ATOM 587 CB PHE A 38 -15.841 16.045 -5.334 1.00 0.00 C ATOM 588 CG PHE A 38 -16.518 16.832 -4.244 1.00 0.00 C ATOM 589 CD1 PHE A 38 -17.823 17.266 -4.393 1.00 0.00 C ATOM 590 CD2 PHE A 38 -15.842 17.142 -3.073 1.00 0.00 C ATOM 591 CE1 PHE A 38 -18.445 17.989 -3.394 1.00 0.00 C ATOM 592 CE2 PHE A 38 -16.458 17.864 -2.070 1.00 0.00 C ATOM 593 CZ PHE A 38 -17.761 18.290 -2.231 1.00 0.00 C ATOM 0 H PHE A 38 -18.200 14.807 -5.003 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.544 14.043 -6.067 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.764 16.196 -5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -16.153 16.441 -6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -18.362 17.037 -5.301 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -14.821 16.814 -2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -19.465 18.319 -3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.921 18.095 -1.162 1.00 0.00 H new ATOM 0 HZ PHE A 38 -18.245 18.857 -1.450 1.00 0.00 H new ATOM 603 N SER A 39 -14.458 13.643 -3.787 1.00 0.00 N ATOM 604 CA SER A 39 -13.961 13.061 -2.553 1.00 0.00 C ATOM 605 C SER A 39 -12.967 14.000 -1.872 1.00 0.00 C ATOM 606 O SER A 39 -12.222 14.722 -2.534 1.00 0.00 O ATOM 607 CB SER A 39 -13.313 11.703 -2.836 1.00 0.00 C ATOM 608 OG SER A 39 -12.911 11.059 -1.638 1.00 0.00 O ATOM 0 H SER A 39 -13.747 13.780 -4.505 1.00 0.00 H new ATOM 0 HA SER A 39 -14.802 12.913 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.017 11.068 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.448 11.840 -3.485 1.00 0.00 H new ATOM 0 HG SER A 39 -12.239 10.376 -1.843 1.00 0.00 H new ATOM 614 N PHE A 40 -12.978 13.987 -0.545 1.00 0.00 N ATOM 615 CA PHE A 40 -12.084 14.810 0.254 1.00 0.00 C ATOM 616 C PHE A 40 -11.416 13.960 1.332 1.00 0.00 C ATOM 617 O PHE A 40 -12.089 13.398 2.199 1.00 0.00 O ATOM 618 CB PHE A 40 -12.871 15.966 0.887 1.00 0.00 C ATOM 619 CG PHE A 40 -12.181 16.618 2.049 1.00 0.00 C ATOM 620 CD1 PHE A 40 -10.953 17.236 1.893 1.00 0.00 C ATOM 621 CD2 PHE A 40 -12.773 16.613 3.300 1.00 0.00 C ATOM 622 CE1 PHE A 40 -10.328 17.836 2.967 1.00 0.00 C ATOM 623 CE2 PHE A 40 -12.152 17.209 4.377 1.00 0.00 C ATOM 624 CZ PHE A 40 -10.927 17.822 4.210 1.00 0.00 C ATOM 0 H PHE A 40 -13.608 13.405 0.006 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.307 15.226 -0.387 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -13.064 16.720 0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -13.840 15.592 1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.480 17.249 0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -13.733 16.137 3.434 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -9.370 18.317 2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -12.623 17.196 5.349 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.438 18.290 5.051 1.00 0.00 H new ATOM 634 N SER A 41 -10.099 13.842 1.266 1.00 0.00 N ATOM 635 CA SER A 41 -9.373 13.046 2.240 1.00 0.00 C ATOM 636 C SER A 41 -8.186 13.817 2.810 1.00 0.00 C ATOM 637 O SER A 41 -7.584 14.643 2.129 1.00 0.00 O ATOM 638 CB SER A 41 -8.914 11.730 1.608 1.00 0.00 C ATOM 639 OG SER A 41 -8.209 10.929 2.538 1.00 0.00 O ATOM 0 H SER A 41 -9.516 14.283 0.555 1.00 0.00 H new ATOM 0 HA SER A 41 -10.046 12.821 3.067 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.780 11.182 1.236 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.276 11.940 0.749 1.00 0.00 H new ATOM 0 HG SER A 41 -7.794 10.174 2.071 1.00 0.00 H new ATOM 645 N ALA A 42 -7.852 13.537 4.060 1.00 0.00 N ATOM 646 CA ALA A 42 -6.718 14.173 4.705 1.00 0.00 C ATOM 647 C ALA A 42 -5.561 13.194 4.821 1.00 0.00 C ATOM 648 O ALA A 42 -5.759 12.006 5.066 1.00 0.00 O ATOM 649 CB ALA A 42 -7.115 14.705 6.073 1.00 0.00 C ATOM 0 H ALA A 42 -8.353 12.871 4.648 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.394 15.015 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.253 15.179 6.543 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.915 15.437 5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.462 13.881 6.697 1.00 0.00 H new ATOM 655 N LEU A 43 -4.360 13.695 4.619 1.00 0.00 N ATOM 656 CA LEU A 43 -3.164 12.887 4.725 1.00 0.00 C ATOM 657 C LEU A 43 -2.524 13.124 6.082 1.00 0.00 C ATOM 658 O LEU A 43 -2.122 14.248 6.390 1.00 0.00 O ATOM 659 CB LEU A 43 -2.171 13.252 3.622 1.00 0.00 C ATOM 660 CG LEU A 43 -2.770 13.396 2.219 1.00 0.00 C ATOM 661 CD1 LEU A 43 -1.687 13.755 1.211 1.00 0.00 C ATOM 662 CD2 LEU A 43 -3.485 12.119 1.809 1.00 0.00 C ATOM 0 H LEU A 43 -4.186 14.671 4.378 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.434 11.836 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.686 14.191 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.393 12.489 3.590 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.501 14.204 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.130 13.853 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.223 14.699 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.931 12.970 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.904 12.241 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.777 11.290 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.288 11.909 2.516 1.00 0.00 H new ATOM 674 N GLY A 44 -2.420 12.069 6.878 1.00 0.00 N ATOM 675 CA GLY A 44 -1.961 12.209 8.252 1.00 0.00 C ATOM 676 C GLY A 44 -0.485 12.534 8.348 1.00 0.00 C ATOM 677 O GLY A 44 -0.094 13.473 9.042 1.00 0.00 O ATOM 0 H GLY A 44 -2.645 11.114 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.534 12.995 8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.160 11.284 8.793 1.00 0.00 H new ATOM 681 N ALA A 45 0.330 11.770 7.631 1.00 0.00 N ATOM 682 CA ALA A 45 1.780 11.945 7.650 1.00 0.00 C ATOM 683 C ALA A 45 2.193 13.275 7.032 1.00 0.00 C ATOM 684 O ALA A 45 3.353 13.675 7.111 1.00 0.00 O ATOM 685 CB ALA A 45 2.455 10.791 6.924 1.00 0.00 C ATOM 0 H ALA A 45 0.009 11.016 7.023 1.00 0.00 H new ATOM 0 HA ALA A 45 2.103 11.951 8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.536 10.931 6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.202 9.853 7.417 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.112 10.761 5.890 1.00 0.00 H new ATOM 691 N GLN A 46 1.246 13.951 6.403 1.00 0.00 N ATOM 692 CA GLN A 46 1.517 15.230 5.773 1.00 0.00 C ATOM 693 C GLN A 46 0.833 16.372 6.518 1.00 0.00 C ATOM 694 O GLN A 46 1.316 17.502 6.515 1.00 0.00 O ATOM 695 CB GLN A 46 1.049 15.201 4.319 1.00 0.00 C ATOM 696 CG GLN A 46 1.811 14.208 3.457 1.00 0.00 C ATOM 697 CD GLN A 46 3.247 14.631 3.215 1.00 0.00 C ATOM 698 OE1 GLN A 46 3.543 15.309 2.233 1.00 0.00 O ATOM 699 NE2 GLN A 46 4.145 14.244 4.108 1.00 0.00 N ATOM 0 H GLN A 46 0.281 13.633 6.316 1.00 0.00 H new ATOM 0 HA GLN A 46 2.593 15.403 5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.012 14.954 4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.155 16.198 3.891 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.800 13.230 3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.302 14.097 2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.858 13.682 4.909 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.124 14.508 3.995 1.00 0.00 H new ATOM 708 N GLY A 47 -0.294 16.071 7.150 1.00 0.00 N ATOM 709 CA GLY A 47 -1.091 17.104 7.787 1.00 0.00 C ATOM 710 C GLY A 47 -1.811 17.954 6.760 1.00 0.00 C ATOM 711 O GLY A 47 -2.246 19.069 7.047 1.00 0.00 O ATOM 0 H GLY A 47 -0.672 15.127 7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.818 16.645 8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.449 17.736 8.400 1.00 0.00 H new ATOM 715 N GLU A 48 -1.938 17.408 5.560 1.00 0.00 N ATOM 716 CA GLU A 48 -2.477 18.144 4.422 1.00 0.00 C ATOM 717 C GLU A 48 -3.746 17.459 3.925 1.00 0.00 C ATOM 718 O GLU A 48 -3.961 16.291 4.214 1.00 0.00 O ATOM 719 CB GLU A 48 -1.415 18.219 3.314 1.00 0.00 C ATOM 720 CG GLU A 48 -1.812 19.076 2.121 1.00 0.00 C ATOM 721 CD GLU A 48 -2.269 20.464 2.523 1.00 0.00 C ATOM 722 OE1 GLU A 48 -1.411 21.328 2.801 1.00 0.00 O ATOM 723 OE2 GLU A 48 -3.496 20.687 2.575 1.00 0.00 O ATOM 0 H GLU A 48 -1.672 16.447 5.346 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.734 19.160 4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.492 18.614 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.199 17.209 2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.964 19.160 1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.612 18.579 1.572 1.00 0.00 H new ATOM 730 N ARG A 49 -4.581 18.168 3.184 1.00 0.00 N ATOM 731 CA ARG A 49 -5.816 17.575 2.687 1.00 0.00 C ATOM 732 C ARG A 49 -5.830 17.535 1.161 1.00 0.00 C ATOM 733 O ARG A 49 -5.578 18.543 0.496 1.00 0.00 O ATOM 734 CB ARG A 49 -7.060 18.304 3.226 1.00 0.00 C ATOM 735 CG ARG A 49 -7.164 19.790 2.883 1.00 0.00 C ATOM 736 CD ARG A 49 -6.328 20.654 3.817 1.00 0.00 C ATOM 737 NE ARG A 49 -6.590 22.086 3.634 1.00 0.00 N ATOM 738 CZ ARG A 49 -5.695 23.043 3.890 1.00 0.00 C ATOM 739 NH1 ARG A 49 -4.453 22.721 4.214 1.00 0.00 N ATOM 740 NH2 ARG A 49 -6.036 24.321 3.778 1.00 0.00 N ATOM 0 H ARG A 49 -4.432 19.141 2.915 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.852 16.550 3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.947 17.800 2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.077 18.199 4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.838 19.948 1.855 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.207 20.102 2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.539 20.377 4.850 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.270 20.455 3.643 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.509 22.367 3.291 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.178 21.740 4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.771 23.454 4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.983 24.573 3.496 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.351 25.051 3.974 1.00 0.00 H new ATOM 754 N PHE A 50 -6.134 16.363 0.617 1.00 0.00 N ATOM 755 CA PHE A 50 -6.103 16.142 -0.821 1.00 0.00 C ATOM 756 C PHE A 50 -7.524 15.936 -1.342 1.00 0.00 C ATOM 757 O PHE A 50 -8.406 15.510 -0.591 1.00 0.00 O ATOM 758 CB PHE A 50 -5.180 14.947 -1.134 1.00 0.00 C ATOM 759 CG PHE A 50 -5.862 13.648 -1.473 1.00 0.00 C ATOM 760 CD1 PHE A 50 -6.180 13.337 -2.787 1.00 0.00 C ATOM 761 CD2 PHE A 50 -6.155 12.724 -0.484 1.00 0.00 C ATOM 762 CE1 PHE A 50 -6.781 12.138 -3.105 1.00 0.00 C ATOM 763 CE2 PHE A 50 -6.759 11.522 -0.797 1.00 0.00 C ATOM 764 CZ PHE A 50 -7.072 11.228 -2.109 1.00 0.00 C ATOM 0 H PHE A 50 -6.408 15.543 1.159 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.697 17.015 -1.332 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.535 15.222 -1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.533 14.779 -0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.954 14.044 -3.571 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.908 12.946 0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -7.024 11.911 -4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.986 10.812 -0.015 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.543 10.288 -2.355 1.00 0.00 H new ATOM 774 N GLU A 51 -7.758 16.240 -2.615 1.00 0.00 N ATOM 775 CA GLU A 51 -9.128 16.257 -3.128 1.00 0.00 C ATOM 776 C GLU A 51 -9.187 15.955 -4.619 1.00 0.00 C ATOM 777 O GLU A 51 -8.308 16.356 -5.387 1.00 0.00 O ATOM 778 CB GLU A 51 -9.777 17.615 -2.845 1.00 0.00 C ATOM 779 CG GLU A 51 -9.007 18.792 -3.425 1.00 0.00 C ATOM 780 CD GLU A 51 -9.589 20.134 -3.037 1.00 0.00 C ATOM 781 OE1 GLU A 51 -9.405 20.549 -1.871 1.00 0.00 O ATOM 782 OE2 GLU A 51 -10.214 20.786 -3.899 1.00 0.00 O ATOM 0 H GLU A 51 -7.037 16.473 -3.298 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.679 15.471 -2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.788 17.617 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.868 17.747 -1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.971 18.741 -3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.994 18.709 -4.512 1.00 0.00 H new ATOM 789 N PHE A 52 -10.242 15.254 -5.021 1.00 0.00 N ATOM 790 CA PHE A 52 -10.455 14.903 -6.421 1.00 0.00 C ATOM 791 C PHE A 52 -11.936 14.671 -6.691 1.00 0.00 C ATOM 792 O PHE A 52 -12.694 14.332 -5.782 1.00 0.00 O ATOM 793 CB PHE A 52 -9.648 13.654 -6.801 1.00 0.00 C ATOM 794 CG PHE A 52 -10.061 12.394 -6.089 1.00 0.00 C ATOM 795 CD1 PHE A 52 -9.686 12.167 -4.774 1.00 0.00 C ATOM 796 CD2 PHE A 52 -10.811 11.429 -6.742 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.053 11.004 -4.126 1.00 0.00 C ATOM 798 CE2 PHE A 52 -11.182 10.265 -6.096 1.00 0.00 C ATOM 799 CZ PHE A 52 -10.801 10.052 -4.785 1.00 0.00 C ATOM 0 H PHE A 52 -10.969 14.915 -4.391 1.00 0.00 H new ATOM 0 HA PHE A 52 -10.110 15.735 -7.035 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.738 13.494 -7.875 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.595 13.843 -6.594 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.100 12.908 -4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.109 11.588 -7.768 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.754 10.840 -3.101 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.769 9.522 -6.616 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.088 9.143 -4.278 1.00 0.00 H new ATOM 809 N SER A 53 -12.349 14.865 -7.933 1.00 0.00 N ATOM 810 CA SER A 53 -13.738 14.664 -8.315 1.00 0.00 C ATOM 811 C SER A 53 -13.877 13.424 -9.196 1.00 0.00 C ATOM 812 O SER A 53 -12.990 13.122 -9.995 1.00 0.00 O ATOM 813 CB SER A 53 -14.248 15.897 -9.059 1.00 0.00 C ATOM 814 OG SER A 53 -13.968 17.082 -8.325 1.00 0.00 O ATOM 0 H SER A 53 -11.741 15.162 -8.696 1.00 0.00 H new ATOM 0 HA SER A 53 -14.334 14.514 -7.415 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.780 15.954 -10.042 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.322 15.810 -9.222 1.00 0.00 H new ATOM 0 HG SER A 53 -14.301 17.860 -8.820 1.00 0.00 H new ATOM 820 N LEU A 54 -14.980 12.703 -9.037 1.00 0.00 N ATOM 821 CA LEU A 54 -15.243 11.522 -9.844 1.00 0.00 C ATOM 822 C LEU A 54 -16.549 11.677 -10.607 1.00 0.00 C ATOM 823 O LEU A 54 -17.630 11.640 -10.019 1.00 0.00 O ATOM 824 CB LEU A 54 -15.313 10.269 -8.969 1.00 0.00 C ATOM 825 CG LEU A 54 -14.017 9.894 -8.256 1.00 0.00 C ATOM 826 CD1 LEU A 54 -14.257 8.724 -7.318 1.00 0.00 C ATOM 827 CD2 LEU A 54 -12.936 9.548 -9.268 1.00 0.00 C ATOM 0 H LEU A 54 -15.707 12.918 -8.355 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.422 11.414 -10.553 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -16.091 10.413 -8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.621 9.429 -9.591 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.680 10.749 -7.670 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.326 8.465 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.006 9.000 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.612 7.866 -7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.018 9.283 -8.743 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.263 8.704 -9.876 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.751 10.408 -9.911 1.00 0.00 H new ATOM 839 N GLU A 55 -16.442 11.871 -11.910 1.00 0.00 N ATOM 840 CA GLU A 55 -17.611 11.943 -12.771 1.00 0.00 C ATOM 841 C GLU A 55 -17.899 10.565 -13.348 1.00 0.00 C ATOM 842 O GLU A 55 -17.080 10.000 -14.076 1.00 0.00 O ATOM 843 CB GLU A 55 -17.383 12.947 -13.899 1.00 0.00 C ATOM 844 CG GLU A 55 -17.078 14.352 -13.404 1.00 0.00 C ATOM 845 CD GLU A 55 -16.758 15.312 -14.530 1.00 0.00 C ATOM 846 OE1 GLU A 55 -17.700 15.844 -15.157 1.00 0.00 O ATOM 847 OE2 GLU A 55 -15.561 15.539 -14.795 1.00 0.00 O ATOM 0 H GLU A 55 -15.553 11.982 -12.397 1.00 0.00 H new ATOM 0 HA GLU A 55 -18.466 12.276 -12.183 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.557 12.602 -14.521 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -18.269 12.977 -14.533 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.933 14.729 -12.843 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.235 14.315 -12.714 1.00 0.00 H new ATOM 854 N LEU A 56 -19.061 10.027 -13.024 1.00 0.00 N ATOM 855 CA LEU A 56 -19.394 8.664 -13.407 1.00 0.00 C ATOM 856 C LEU A 56 -20.260 8.628 -14.656 1.00 0.00 C ATOM 857 O LEU A 56 -21.282 9.304 -14.744 1.00 0.00 O ATOM 858 CB LEU A 56 -20.086 7.918 -12.262 1.00 0.00 C ATOM 859 CG LEU A 56 -19.168 7.418 -11.136 1.00 0.00 C ATOM 860 CD1 LEU A 56 -17.994 6.630 -11.702 1.00 0.00 C ATOM 861 CD2 LEU A 56 -18.678 8.569 -10.269 1.00 0.00 C ATOM 0 H LEU A 56 -19.789 10.510 -12.498 1.00 0.00 H new ATOM 0 HA LEU A 56 -18.455 8.159 -13.631 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -20.837 8.577 -11.827 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -20.616 7.062 -12.680 1.00 0.00 H new ATOM 0 HG LEU A 56 -19.754 6.751 -10.504 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -17.359 6.287 -10.885 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -18.367 5.770 -12.258 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.415 7.269 -12.369 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.031 8.182 -9.482 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -18.119 9.275 -10.883 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -19.532 9.076 -9.820 1.00 0.00 H new ATOM 873 N TYR A 57 -19.810 7.846 -15.623 1.00 0.00 N ATOM 874 CA TYR A 57 -20.540 7.624 -16.865 1.00 0.00 C ATOM 875 C TYR A 57 -21.654 6.608 -16.628 1.00 0.00 C ATOM 876 O TYR A 57 -22.587 6.480 -17.422 1.00 0.00 O ATOM 877 CB TYR A 57 -19.562 7.108 -17.925 1.00 0.00 C ATOM 878 CG TYR A 57 -20.068 7.114 -19.351 1.00 0.00 C ATOM 879 CD1 TYR A 57 -19.889 8.227 -20.164 1.00 0.00 C ATOM 880 CD2 TYR A 57 -20.686 5.995 -19.901 1.00 0.00 C ATOM 881 CE1 TYR A 57 -20.303 8.225 -21.481 1.00 0.00 C ATOM 882 CE2 TYR A 57 -21.111 5.988 -21.215 1.00 0.00 C ATOM 883 CZ TYR A 57 -20.917 7.105 -21.999 1.00 0.00 C ATOM 884 OH TYR A 57 -21.320 7.097 -23.314 1.00 0.00 O ATOM 0 H TYR A 57 -18.924 7.344 -15.571 1.00 0.00 H new ATOM 0 HA TYR A 57 -20.988 8.555 -17.210 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -18.655 7.711 -17.879 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -19.279 6.088 -17.665 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -19.417 9.110 -19.758 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -20.836 5.117 -19.290 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.147 9.095 -22.101 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.592 5.113 -21.626 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.734 6.234 -23.524 1.00 0.00 H new ATOM 894 N GLY A 58 -21.541 5.892 -15.517 1.00 0.00 N ATOM 895 CA GLY A 58 -22.495 4.853 -15.191 1.00 0.00 C ATOM 896 C GLY A 58 -23.269 5.156 -13.928 1.00 0.00 C ATOM 897 O GLY A 58 -23.058 6.190 -13.293 1.00 0.00 O ATOM 0 H GLY A 58 -20.797 6.015 -14.830 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -23.192 4.730 -16.020 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -21.970 3.905 -15.073 1.00 0.00 H new ATOM 901 N LYS A 59 -24.158 4.246 -13.554 1.00 0.00 N ATOM 902 CA LYS A 59 -25.006 4.441 -12.389 1.00 0.00 C ATOM 903 C LYS A 59 -24.356 3.826 -11.160 1.00 0.00 C ATOM 904 O LYS A 59 -23.915 2.676 -11.194 1.00 0.00 O ATOM 905 CB LYS A 59 -26.385 3.819 -12.622 1.00 0.00 C ATOM 906 CG LYS A 59 -26.974 4.137 -13.988 1.00 0.00 C ATOM 907 CD LYS A 59 -28.425 3.700 -14.086 1.00 0.00 C ATOM 908 CE LYS A 59 -29.328 4.556 -13.212 1.00 0.00 C ATOM 909 NZ LYS A 59 -29.292 5.987 -13.618 1.00 0.00 N ATOM 0 H LYS A 59 -24.310 3.364 -14.043 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.130 5.511 -12.225 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -26.310 2.737 -12.511 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.069 4.172 -11.850 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -26.903 5.208 -14.175 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -26.390 3.639 -14.762 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -28.755 3.763 -15.123 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -28.512 2.655 -13.787 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -30.351 4.186 -13.274 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -29.019 4.465 -12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -30.119 6.480 -13.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -28.422 6.428 -13.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -29.310 6.054 -14.656 1.00 0.00 H new ATOM 923 N ILE A 60 -24.291 4.591 -10.081 1.00 0.00 N ATOM 924 CA ILE A 60 -23.629 4.132 -8.860 1.00 0.00 C ATOM 925 C ILE A 60 -24.641 3.870 -7.747 1.00 0.00 C ATOM 926 O ILE A 60 -25.722 4.459 -7.720 1.00 0.00 O ATOM 927 CB ILE A 60 -22.592 5.168 -8.353 1.00 0.00 C ATOM 928 CG1 ILE A 60 -21.746 5.704 -9.512 1.00 0.00 C ATOM 929 CG2 ILE A 60 -21.689 4.559 -7.284 1.00 0.00 C ATOM 930 CD1 ILE A 60 -21.003 4.628 -10.280 1.00 0.00 C ATOM 0 H ILE A 60 -24.686 5.530 -10.021 1.00 0.00 H new ATOM 0 HA ILE A 60 -23.117 3.204 -9.113 1.00 0.00 H new ATOM 0 HB ILE A 60 -23.142 5.998 -7.910 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -22.393 6.247 -10.201 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -21.024 6.421 -9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -20.971 5.306 -6.945 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.295 4.230 -6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -21.155 3.706 -7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -20.427 5.087 -11.084 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.328 4.100 -9.606 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.719 3.923 -10.703 1.00 0.00 H new ATOM 942 N MET A 61 -24.267 2.986 -6.833 1.00 0.00 N ATOM 943 CA MET A 61 -25.069 2.685 -5.656 1.00 0.00 C ATOM 944 C MET A 61 -24.425 3.354 -4.445 1.00 0.00 C ATOM 945 O MET A 61 -23.400 2.894 -3.942 1.00 0.00 O ATOM 946 CB MET A 61 -25.165 1.167 -5.451 1.00 0.00 C ATOM 947 CG MET A 61 -26.001 0.745 -4.253 1.00 0.00 C ATOM 948 SD MET A 61 -27.736 1.198 -4.420 1.00 0.00 S ATOM 949 CE MET A 61 -28.426 0.405 -2.966 1.00 0.00 C ATOM 0 H MET A 61 -23.397 2.456 -6.887 1.00 0.00 H new ATOM 0 HA MET A 61 -26.081 3.067 -5.788 1.00 0.00 H new ATOM 0 HB2 MET A 61 -25.588 0.718 -6.350 1.00 0.00 H new ATOM 0 HB3 MET A 61 -24.159 0.764 -5.336 1.00 0.00 H new ATOM 0 HG2 MET A 61 -25.923 -0.334 -4.123 1.00 0.00 H new ATOM 0 HG3 MET A 61 -25.595 1.205 -3.352 1.00 0.00 H new ATOM 0 HE1 MET A 61 -29.373 -0.068 -3.225 1.00 0.00 H new ATOM 0 HE2 MET A 61 -27.731 -0.350 -2.599 1.00 0.00 H new ATOM 0 HE3 MET A 61 -28.594 1.151 -2.189 1.00 0.00 H new ATOM 959 N THR A 62 -25.023 4.446 -3.990 1.00 0.00 N ATOM 960 CA THR A 62 -24.412 5.286 -2.967 1.00 0.00 C ATOM 961 C THR A 62 -24.441 4.638 -1.583 1.00 0.00 C ATOM 962 O THR A 62 -23.792 5.121 -0.655 1.00 0.00 O ATOM 963 CB THR A 62 -25.099 6.661 -2.911 1.00 0.00 C ATOM 964 OG1 THR A 62 -26.520 6.502 -2.787 1.00 0.00 O ATOM 965 CG2 THR A 62 -24.787 7.467 -4.161 1.00 0.00 C ATOM 0 H THR A 62 -25.933 4.773 -4.314 1.00 0.00 H new ATOM 0 HA THR A 62 -23.367 5.411 -3.251 1.00 0.00 H new ATOM 0 HB THR A 62 -24.718 7.195 -2.041 1.00 0.00 H new ATOM 0 HG1 THR A 62 -26.946 7.384 -2.751 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.282 8.436 -4.102 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.710 7.614 -4.240 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.145 6.930 -5.039 1.00 0.00 H new ATOM 973 N GLU A 63 -25.191 3.556 -1.447 1.00 0.00 N ATOM 974 CA GLU A 63 -25.278 2.846 -0.178 1.00 0.00 C ATOM 975 C GLU A 63 -23.926 2.265 0.228 1.00 0.00 C ATOM 976 O GLU A 63 -23.364 2.627 1.263 1.00 0.00 O ATOM 977 CB GLU A 63 -26.291 1.707 -0.267 1.00 0.00 C ATOM 978 CG GLU A 63 -26.413 0.919 1.025 1.00 0.00 C ATOM 979 CD GLU A 63 -26.808 -0.520 0.797 1.00 0.00 C ATOM 980 OE1 GLU A 63 -28.010 -0.787 0.627 1.00 0.00 O ATOM 981 OE2 GLU A 63 -25.909 -1.390 0.788 1.00 0.00 O ATOM 0 H GLU A 63 -25.748 3.149 -2.198 1.00 0.00 H new ATOM 0 HA GLU A 63 -25.597 3.569 0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -27.267 2.116 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -26.000 1.032 -1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -25.461 0.950 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -27.152 1.396 1.668 1.00 0.00 H new ATOM 988 N TYR A 64 -23.408 1.366 -0.597 1.00 0.00 N ATOM 989 CA TYR A 64 -22.209 0.624 -0.249 1.00 0.00 C ATOM 990 C TYR A 64 -20.957 1.410 -0.599 1.00 0.00 C ATOM 991 O TYR A 64 -20.612 1.566 -1.772 1.00 0.00 O ATOM 992 CB TYR A 64 -22.186 -0.735 -0.954 1.00 0.00 C ATOM 993 CG TYR A 64 -21.053 -1.628 -0.496 1.00 0.00 C ATOM 994 CD1 TYR A 64 -21.147 -2.330 0.696 1.00 0.00 C ATOM 995 CD2 TYR A 64 -19.896 -1.763 -1.248 1.00 0.00 C ATOM 996 CE1 TYR A 64 -20.118 -3.140 1.130 1.00 0.00 C ATOM 997 CE2 TYR A 64 -18.858 -2.571 -0.821 1.00 0.00 C ATOM 998 CZ TYR A 64 -18.976 -3.259 0.368 1.00 0.00 C ATOM 999 OH TYR A 64 -17.951 -4.070 0.801 1.00 0.00 O ATOM 0 H TYR A 64 -23.800 1.135 -1.510 1.00 0.00 H new ATOM 0 HA TYR A 64 -22.225 0.461 0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -23.134 -1.244 -0.778 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -22.103 -0.577 -2.029 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -22.041 -2.241 1.295 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -19.804 -1.229 -2.182 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -20.207 -3.678 2.062 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -17.961 -2.662 -1.415 1.00 0.00 H new ATOM 0 HH TYR A 64 -17.218 -4.046 0.151 1.00 0.00 H new ATOM 1009 N ARG A 65 -20.291 1.900 0.433 1.00 0.00 N ATOM 1010 CA ARG A 65 -19.020 2.586 0.291 1.00 0.00 C ATOM 1011 C ARG A 65 -18.153 2.289 1.502 1.00 0.00 C ATOM 1012 O ARG A 65 -18.568 2.529 2.638 1.00 0.00 O ATOM 1013 CB ARG A 65 -19.232 4.099 0.170 1.00 0.00 C ATOM 1014 CG ARG A 65 -19.696 4.553 -1.205 1.00 0.00 C ATOM 1015 CD ARG A 65 -20.098 6.018 -1.198 1.00 0.00 C ATOM 1016 NE ARG A 65 -21.337 6.230 -0.450 1.00 0.00 N ATOM 1017 CZ ARG A 65 -21.603 7.304 0.294 1.00 0.00 C ATOM 1018 NH1 ARG A 65 -20.703 8.268 0.436 1.00 0.00 N ATOM 1019 NH2 ARG A 65 -22.779 7.409 0.900 1.00 0.00 N ATOM 0 H ARG A 65 -20.619 1.832 1.396 1.00 0.00 H new ATOM 0 HA ARG A 65 -18.528 2.232 -0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -19.967 4.412 0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -18.298 4.606 0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -18.897 4.397 -1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -20.541 3.944 -1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -19.299 6.614 -0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -20.226 6.366 -2.223 1.00 0.00 H new ATOM 0 HE ARG A 65 -22.050 5.503 -0.501 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -19.797 8.192 -0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.917 9.085 1.007 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -23.474 6.670 0.795 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -22.987 8.229 1.470 1.00 0.00 H new ATOM 1033 N LYS A 66 -16.955 1.776 1.270 1.00 0.00 N ATOM 1034 CA LYS A 66 -16.053 1.458 2.366 1.00 0.00 C ATOM 1035 C LYS A 66 -14.619 1.366 1.860 1.00 0.00 C ATOM 1036 O LYS A 66 -14.354 0.762 0.819 1.00 0.00 O ATOM 1037 CB LYS A 66 -16.482 0.146 3.047 1.00 0.00 C ATOM 1038 CG LYS A 66 -15.965 -0.017 4.472 1.00 0.00 C ATOM 1039 CD LYS A 66 -14.526 -0.511 4.509 1.00 0.00 C ATOM 1040 CE LYS A 66 -13.965 -0.486 5.920 1.00 0.00 C ATOM 1041 NZ LYS A 66 -13.724 0.902 6.401 1.00 0.00 N ATOM 0 H LYS A 66 -16.587 1.572 0.341 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.102 2.257 3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.571 0.095 3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.131 -0.693 2.447 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.033 0.938 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.602 -0.719 5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.479 -1.526 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.910 0.111 3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.659 -0.988 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.031 -1.047 5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.279 0.871 7.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.095 1.396 5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.629 1.410 6.464 1.00 0.00 H new ATOM 1055 N ASN A 67 -13.715 1.992 2.593 1.00 0.00 N ATOM 1056 CA ASN A 67 -12.303 2.019 2.240 1.00 0.00 C ATOM 1057 C ASN A 67 -11.477 1.167 3.200 1.00 0.00 C ATOM 1058 O ASN A 67 -11.591 1.293 4.421 1.00 0.00 O ATOM 1059 CB ASN A 67 -11.780 3.465 2.245 1.00 0.00 C ATOM 1060 CG ASN A 67 -11.995 4.179 3.570 1.00 0.00 C ATOM 1061 OD1 ASN A 67 -12.950 3.908 4.302 1.00 0.00 O ATOM 1062 ND2 ASN A 67 -11.113 5.108 3.886 1.00 0.00 N ATOM 0 H ASN A 67 -13.938 2.497 3.451 1.00 0.00 H new ATOM 0 HA ASN A 67 -12.201 1.602 1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.715 3.459 2.012 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.277 4.026 1.453 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.209 5.627 4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.335 5.307 3.258 1.00 0.00 H new ATOM 1069 N VAL A 68 -10.670 0.279 2.642 1.00 0.00 N ATOM 1070 CA VAL A 68 -9.742 -0.521 3.427 1.00 0.00 C ATOM 1071 C VAL A 68 -8.308 -0.154 3.059 1.00 0.00 C ATOM 1072 O VAL A 68 -8.043 0.257 1.928 1.00 0.00 O ATOM 1073 CB VAL A 68 -9.962 -2.040 3.224 1.00 0.00 C ATOM 1074 CG1 VAL A 68 -11.325 -2.461 3.758 1.00 0.00 C ATOM 1075 CG2 VAL A 68 -9.817 -2.418 1.754 1.00 0.00 C ATOM 0 H VAL A 68 -10.639 0.093 1.640 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.927 -0.301 4.478 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.195 -2.573 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.460 -3.532 3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.384 -2.235 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.107 -1.918 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.976 -3.490 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.555 -1.875 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.816 -2.160 1.409 1.00 0.00 H new ATOM 1085 N GLY A 69 -7.390 -0.279 4.003 1.00 0.00 N ATOM 1086 CA GLY A 69 -6.014 0.077 3.729 1.00 0.00 C ATOM 1087 C GLY A 69 -5.019 -0.854 4.388 1.00 0.00 C ATOM 1088 O GLY A 69 -5.085 -1.094 5.593 1.00 0.00 O ATOM 0 H GLY A 69 -7.570 -0.618 4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.851 0.070 2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.833 1.095 4.073 1.00 0.00 H new ATOM 1092 N LEU A 70 -4.107 -1.385 3.590 1.00 0.00 N ATOM 1093 CA LEU A 70 -3.032 -2.220 4.102 1.00 0.00 C ATOM 1094 C LEU A 70 -1.687 -1.609 3.719 1.00 0.00 C ATOM 1095 O LEU A 70 -0.935 -1.153 4.576 1.00 0.00 O ATOM 1096 CB LEU A 70 -3.151 -3.649 3.562 1.00 0.00 C ATOM 1097 CG LEU A 70 -2.093 -4.628 4.076 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -2.202 -4.789 5.586 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -2.239 -5.971 3.386 1.00 0.00 C ATOM 0 H LEU A 70 -4.090 -1.252 2.579 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.105 -2.268 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.137 -4.037 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.094 -3.615 2.474 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.107 -4.225 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.442 -5.489 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.052 -3.822 6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.190 -5.171 5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.480 -6.657 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.229 -6.379 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.113 -5.843 2.311 1.00 0.00 H new ATOM 1111 N ARG A 71 -1.390 -1.610 2.426 1.00 0.00 N ATOM 1112 CA ARG A 71 -0.219 -0.908 1.902 1.00 0.00 C ATOM 1113 C ARG A 71 -0.674 0.222 0.994 1.00 0.00 C ATOM 1114 O ARG A 71 0.138 0.934 0.401 1.00 0.00 O ATOM 1115 CB ARG A 71 0.695 -1.870 1.134 1.00 0.00 C ATOM 1116 CG ARG A 71 1.338 -2.948 2.002 1.00 0.00 C ATOM 1117 CD ARG A 71 2.357 -2.372 2.982 1.00 0.00 C ATOM 1118 NE ARG A 71 1.735 -1.552 4.021 1.00 0.00 N ATOM 1119 CZ ARG A 71 2.407 -0.764 4.860 1.00 0.00 C ATOM 1120 NH1 ARG A 71 3.729 -0.658 4.773 1.00 0.00 N ATOM 1121 NH2 ARG A 71 1.748 -0.068 5.775 1.00 0.00 N ATOM 0 H ARG A 71 -1.944 -2.090 1.717 1.00 0.00 H new ATOM 0 HA ARG A 71 0.349 -0.498 2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.117 -2.351 0.345 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.482 -1.295 0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.562 -3.475 2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.827 -3.682 1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.908 -3.188 3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.082 -1.770 2.435 1.00 0.00 H new ATOM 0 HE ARG A 71 0.719 -1.585 4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.237 -1.182 4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.236 -0.053 5.419 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.732 -0.137 5.834 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.257 0.537 6.420 1.00 0.00 H new ATOM 1135 N ASN A 72 -1.984 0.374 0.908 1.00 0.00 N ATOM 1136 CA ASN A 72 -2.620 1.368 0.058 1.00 0.00 C ATOM 1137 C ASN A 72 -4.100 1.406 0.395 1.00 0.00 C ATOM 1138 O ASN A 72 -4.569 0.572 1.173 1.00 0.00 O ATOM 1139 CB ASN A 72 -2.422 1.042 -1.429 1.00 0.00 C ATOM 1140 CG ASN A 72 -3.072 -0.266 -1.854 1.00 0.00 C ATOM 1141 OD1 ASN A 72 -3.204 -1.201 -1.068 1.00 0.00 O ATOM 1142 ND2 ASN A 72 -3.472 -0.341 -3.109 1.00 0.00 N ATOM 0 H ASN A 72 -2.646 -0.197 1.434 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.164 2.341 0.239 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.832 1.854 -2.029 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.354 0.995 -1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.907 -1.196 -3.455 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.346 0.456 -3.733 1.00 0.00 H new ATOM 1149 N ILE A 73 -4.838 2.347 -0.175 1.00 0.00 N ATOM 1150 CA ILE A 73 -6.247 2.481 0.143 1.00 0.00 C ATOM 1151 C ILE A 73 -7.107 1.964 -1.001 1.00 0.00 C ATOM 1152 O ILE A 73 -7.068 2.497 -2.113 1.00 0.00 O ATOM 1153 CB ILE A 73 -6.630 3.946 0.456 1.00 0.00 C ATOM 1154 CG1 ILE A 73 -5.776 4.496 1.606 1.00 0.00 C ATOM 1155 CG2 ILE A 73 -8.111 4.058 0.789 1.00 0.00 C ATOM 1156 CD1 ILE A 73 -5.934 3.734 2.907 1.00 0.00 C ATOM 0 H ILE A 73 -4.486 3.022 -0.854 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.431 1.883 1.035 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.434 4.545 -0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.727 4.475 1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.039 5.540 1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.358 5.097 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.702 3.714 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.336 3.443 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.299 4.183 3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.974 3.776 3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.642 2.694 2.758 1.00 0.00 H new ATOM 1168 N ILE A 74 -7.861 0.912 -0.730 1.00 0.00 N ATOM 1169 CA ILE A 74 -8.796 0.376 -1.699 1.00 0.00 C ATOM 1170 C ILE A 74 -10.215 0.736 -1.283 1.00 0.00 C ATOM 1171 O ILE A 74 -10.675 0.359 -0.202 1.00 0.00 O ATOM 1172 CB ILE A 74 -8.668 -1.158 -1.840 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -7.226 -1.540 -2.192 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -9.640 -1.678 -2.898 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -6.985 -3.033 -2.227 1.00 0.00 C ATOM 0 H ILE A 74 -7.842 0.411 0.159 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.563 0.816 -2.669 1.00 0.00 H new ATOM 0 HB ILE A 74 -8.923 -1.620 -0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.974 -1.117 -3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.552 -1.089 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.538 -2.760 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.661 -1.432 -2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.415 -1.213 -3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.943 -3.228 -2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.204 -3.460 -1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.633 -3.489 -2.975 1.00 0.00 H new ATOM 1187 N PHE A 75 -10.898 1.478 -2.132 1.00 0.00 N ATOM 1188 CA PHE A 75 -12.252 1.907 -1.849 1.00 0.00 C ATOM 1189 C PHE A 75 -13.227 1.117 -2.704 1.00 0.00 C ATOM 1190 O PHE A 75 -13.113 1.097 -3.930 1.00 0.00 O ATOM 1191 CB PHE A 75 -12.387 3.411 -2.109 1.00 0.00 C ATOM 1192 CG PHE A 75 -13.673 4.006 -1.610 1.00 0.00 C ATOM 1193 CD1 PHE A 75 -13.902 4.145 -0.253 1.00 0.00 C ATOM 1194 CD2 PHE A 75 -14.646 4.432 -2.496 1.00 0.00 C ATOM 1195 CE1 PHE A 75 -15.078 4.699 0.214 1.00 0.00 C ATOM 1196 CE2 PHE A 75 -15.825 4.986 -2.036 1.00 0.00 C ATOM 1197 CZ PHE A 75 -16.040 5.117 -0.680 1.00 0.00 C ATOM 0 H PHE A 75 -10.534 1.798 -3.029 1.00 0.00 H new ATOM 0 HA PHE A 75 -12.483 1.720 -0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -11.552 3.927 -1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -12.307 3.592 -3.181 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -13.152 3.816 0.451 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -14.482 4.330 -3.559 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -15.243 4.804 1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -16.577 5.316 -2.737 1.00 0.00 H new ATOM 0 HZ PHE A 75 -16.962 5.547 -0.319 1.00 0.00 H new ATOM 1207 N SER A 76 -14.157 0.439 -2.054 1.00 0.00 N ATOM 1208 CA SER A 76 -15.135 -0.372 -2.760 1.00 0.00 C ATOM 1209 C SER A 76 -16.490 0.330 -2.810 1.00 0.00 C ATOM 1210 O SER A 76 -17.021 0.751 -1.779 1.00 0.00 O ATOM 1211 CB SER A 76 -15.266 -1.737 -2.084 1.00 0.00 C ATOM 1212 OG SER A 76 -14.005 -2.372 -1.992 1.00 0.00 O ATOM 0 H SER A 76 -14.256 0.434 -1.039 1.00 0.00 H new ATOM 0 HA SER A 76 -14.791 -0.515 -3.784 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.691 -1.616 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.954 -2.364 -2.650 1.00 0.00 H new ATOM 0 HG SER A 76 -14.109 -3.243 -1.555 1.00 0.00 H new ATOM 1218 N ILE A 77 -17.030 0.466 -4.014 1.00 0.00 N ATOM 1219 CA ILE A 77 -18.334 1.085 -4.204 1.00 0.00 C ATOM 1220 C ILE A 77 -19.227 0.136 -4.988 1.00 0.00 C ATOM 1221 O ILE A 77 -18.774 -0.488 -5.939 1.00 0.00 O ATOM 1222 CB ILE A 77 -18.255 2.416 -4.994 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -16.996 3.218 -4.648 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -19.493 3.259 -4.722 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -15.776 2.845 -5.469 1.00 0.00 C ATOM 0 H ILE A 77 -16.583 0.155 -4.876 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.733 1.296 -3.212 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.206 2.163 -6.053 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.204 4.279 -4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -16.767 3.076 -3.592 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.428 4.192 -5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -20.382 2.711 -5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -19.557 3.479 -3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -14.929 3.459 -5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.538 1.793 -5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.983 3.015 -6.526 1.00 0.00 H new ATOM 1237 N GLN A 78 -20.483 0.017 -4.598 1.00 0.00 N ATOM 1238 CA GLN A 78 -21.425 -0.810 -5.343 1.00 0.00 C ATOM 1239 C GLN A 78 -21.944 -0.015 -6.537 1.00 0.00 C ATOM 1240 O GLN A 78 -22.101 1.202 -6.442 1.00 0.00 O ATOM 1241 CB GLN A 78 -22.591 -1.228 -4.446 1.00 0.00 C ATOM 1242 CG GLN A 78 -23.044 -2.658 -4.674 1.00 0.00 C ATOM 1243 CD GLN A 78 -22.011 -3.661 -4.204 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -21.110 -4.035 -4.949 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -22.136 -4.106 -2.965 1.00 0.00 N ATOM 0 H GLN A 78 -20.876 0.477 -3.777 1.00 0.00 H new ATOM 0 HA GLN A 78 -20.920 -1.711 -5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -22.298 -1.110 -3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -23.432 -0.556 -4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -23.982 -2.830 -4.147 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -23.242 -2.811 -5.735 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -22.899 -3.770 -2.377 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -21.469 -4.785 -2.597 1.00 0.00 H new ATOM 1254 N LYS A 79 -22.204 -0.668 -7.660 1.00 0.00 N ATOM 1255 CA LYS A 79 -22.686 0.065 -8.822 1.00 0.00 C ATOM 1256 C LYS A 79 -23.995 -0.512 -9.344 1.00 0.00 C ATOM 1257 O LYS A 79 -24.224 -1.722 -9.284 1.00 0.00 O ATOM 1258 CB LYS A 79 -21.626 0.112 -9.931 1.00 0.00 C ATOM 1259 CG LYS A 79 -21.349 -1.219 -10.618 1.00 0.00 C ATOM 1260 CD LYS A 79 -20.228 -1.074 -11.636 1.00 0.00 C ATOM 1261 CE LYS A 79 -20.024 -2.334 -12.462 1.00 0.00 C ATOM 1262 NZ LYS A 79 -19.898 -3.550 -11.617 1.00 0.00 N ATOM 0 H LYS A 79 -22.094 -1.673 -7.792 1.00 0.00 H new ATOM 0 HA LYS A 79 -22.881 1.088 -8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -21.943 0.833 -10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -20.694 0.484 -9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -21.077 -1.968 -9.875 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -22.253 -1.574 -11.113 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -20.451 -0.240 -12.301 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -19.301 -0.829 -11.118 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -20.863 -2.456 -13.147 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -19.128 -2.224 -13.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -19.139 -4.155 -11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -19.671 -3.272 -10.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -20.796 -4.075 -11.628 1.00 0.00 H new ATOM 1276 N GLU A 80 -24.846 0.368 -9.851 1.00 0.00 N ATOM 1277 CA GLU A 80 -26.142 -0.024 -10.380 1.00 0.00 C ATOM 1278 C GLU A 80 -26.016 -0.408 -11.849 1.00 0.00 C ATOM 1279 O GLU A 80 -26.094 0.438 -12.742 1.00 0.00 O ATOM 1280 CB GLU A 80 -27.157 1.116 -10.194 1.00 0.00 C ATOM 1281 CG GLU A 80 -28.472 0.925 -10.946 1.00 0.00 C ATOM 1282 CD GLU A 80 -29.226 -0.325 -10.542 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -28.887 -1.416 -11.040 1.00 0.00 O ATOM 1284 OE2 GLU A 80 -30.184 -0.215 -9.752 1.00 0.00 O ATOM 0 H GLU A 80 -24.658 1.369 -9.907 1.00 0.00 H new ATOM 0 HA GLU A 80 -26.502 -0.894 -9.831 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -27.374 1.222 -9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -26.699 2.050 -10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -29.108 1.794 -10.775 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -28.267 0.885 -12.016 1.00 0.00 H new ATOM 1427 N LEU A 88 -17.020 3.593 -17.257 1.00 0.00 N ATOM 1428 CA LEU A 88 -17.764 4.337 -16.241 1.00 0.00 C ATOM 1429 C LEU A 88 -17.143 5.700 -15.949 1.00 0.00 C ATOM 1430 O LEU A 88 -17.526 6.369 -14.991 1.00 0.00 O ATOM 1431 CB LEU A 88 -17.897 3.528 -14.941 1.00 0.00 C ATOM 1432 CG LEU A 88 -16.598 2.969 -14.359 1.00 0.00 C ATOM 1433 CD1 LEU A 88 -16.683 2.908 -12.842 1.00 0.00 C ATOM 1434 CD2 LEU A 88 -16.323 1.578 -14.916 1.00 0.00 C ATOM 0 HA LEU A 88 -18.759 4.507 -16.652 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -18.365 4.163 -14.188 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -18.577 2.696 -15.123 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.780 3.632 -14.643 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.752 2.508 -12.441 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.848 3.910 -12.446 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -17.511 2.262 -12.550 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.395 1.193 -14.493 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -17.145 0.912 -14.654 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -16.232 1.632 -16.001 1.00 0.00 H new ATOM 1446 N LEU A 89 -16.209 6.124 -16.785 1.00 0.00 N ATOM 1447 CA LEU A 89 -15.624 7.457 -16.659 1.00 0.00 C ATOM 1448 C LEU A 89 -16.357 8.429 -17.568 1.00 0.00 C ATOM 1449 O LEU A 89 -16.259 8.341 -18.791 1.00 0.00 O ATOM 1450 CB LEU A 89 -14.126 7.435 -16.993 1.00 0.00 C ATOM 1451 CG LEU A 89 -13.189 7.223 -15.797 1.00 0.00 C ATOM 1452 CD1 LEU A 89 -13.312 8.377 -14.815 1.00 0.00 C ATOM 1453 CD2 LEU A 89 -13.476 5.900 -15.096 1.00 0.00 C ATOM 0 H LEU A 89 -15.838 5.570 -17.557 1.00 0.00 H new ATOM 0 HA LEU A 89 -15.731 7.786 -15.625 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.945 6.643 -17.720 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.865 8.377 -17.475 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.167 7.189 -16.176 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.641 8.211 -13.972 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.045 9.309 -15.313 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.339 8.440 -14.454 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.795 5.780 -14.253 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.505 5.895 -14.735 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.334 5.078 -15.798 1.00 0.00 H new ATOM 1465 N LYS A 90 -17.107 9.339 -16.954 1.00 0.00 N ATOM 1466 CA LYS A 90 -17.914 10.303 -17.691 1.00 0.00 C ATOM 1467 C LYS A 90 -17.036 11.200 -18.553 1.00 0.00 C ATOM 1468 O LYS A 90 -17.312 11.405 -19.736 1.00 0.00 O ATOM 1469 CB LYS A 90 -18.766 11.122 -16.710 1.00 0.00 C ATOM 1470 CG LYS A 90 -19.546 12.273 -17.332 1.00 0.00 C ATOM 1471 CD LYS A 90 -18.722 13.552 -17.357 1.00 0.00 C ATOM 1472 CE LYS A 90 -19.525 14.736 -17.855 1.00 0.00 C ATOM 1473 NZ LYS A 90 -18.735 15.992 -17.795 1.00 0.00 N ATOM 0 H LYS A 90 -17.172 9.428 -15.940 1.00 0.00 H new ATOM 0 HA LYS A 90 -18.584 9.767 -18.364 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -19.470 10.451 -16.218 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -18.113 11.524 -15.935 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -19.841 12.008 -18.347 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -20.463 12.440 -16.767 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -18.350 13.763 -16.355 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -17.851 13.410 -17.997 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -19.845 14.555 -18.881 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -20.428 14.844 -17.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -19.365 16.806 -17.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.282 16.073 -16.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -18.004 15.978 -18.535 1.00 0.00 H new ATOM 1487 N SER A 91 -15.975 11.723 -17.969 1.00 0.00 N ATOM 1488 CA SER A 91 -15.081 12.597 -18.700 1.00 0.00 C ATOM 1489 C SER A 91 -13.979 11.796 -19.380 1.00 0.00 C ATOM 1490 O SER A 91 -12.820 11.829 -18.970 1.00 0.00 O ATOM 1491 CB SER A 91 -14.498 13.656 -17.767 1.00 0.00 C ATOM 1492 OG SER A 91 -15.531 14.463 -17.225 1.00 0.00 O ATOM 0 H SER A 91 -15.713 11.559 -16.997 1.00 0.00 H new ATOM 0 HA SER A 91 -15.650 13.105 -19.479 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.944 13.174 -16.961 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.790 14.279 -18.312 1.00 0.00 H new ATOM 0 HG SER A 91 -15.188 14.958 -16.452 1.00 0.00 H new ATOM 1498 N GLU A 92 -14.362 11.045 -20.407 1.00 0.00 N ATOM 1499 CA GLU A 92 -13.406 10.303 -21.215 1.00 0.00 C ATOM 1500 C GLU A 92 -12.826 11.205 -22.296 1.00 0.00 C ATOM 1501 O GLU A 92 -11.865 10.851 -22.979 1.00 0.00 O ATOM 1502 CB GLU A 92 -14.073 9.078 -21.848 1.00 0.00 C ATOM 1503 CG GLU A 92 -15.335 9.395 -22.636 1.00 0.00 C ATOM 1504 CD GLU A 92 -15.783 8.229 -23.490 1.00 0.00 C ATOM 1505 OE1 GLU A 92 -16.399 7.288 -22.957 1.00 0.00 O ATOM 1506 OE2 GLU A 92 -15.487 8.232 -24.705 1.00 0.00 O ATOM 0 H GLU A 92 -15.333 10.935 -20.699 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.598 9.959 -20.570 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.358 8.590 -22.510 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.318 8.364 -21.061 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.134 9.666 -21.946 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -15.156 10.262 -23.272 1.00 0.00 H new ATOM 1513 N GLU A 93 -13.440 12.367 -22.452 1.00 0.00 N ATOM 1514 CA GLU A 93 -12.973 13.369 -23.396 1.00 0.00 C ATOM 1515 C GLU A 93 -11.705 14.019 -22.856 1.00 0.00 C ATOM 1516 O GLU A 93 -10.661 14.034 -23.508 1.00 0.00 O ATOM 1517 CB GLU A 93 -14.060 14.422 -23.605 1.00 0.00 C ATOM 1518 CG GLU A 93 -15.431 13.823 -23.868 1.00 0.00 C ATOM 1519 CD GLU A 93 -16.530 14.864 -23.901 1.00 0.00 C ATOM 1520 OE1 GLU A 93 -16.770 15.511 -22.861 1.00 0.00 O ATOM 1521 OE2 GLU A 93 -17.158 15.040 -24.966 1.00 0.00 O ATOM 0 H GLU A 93 -14.272 12.641 -21.930 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.751 12.898 -24.354 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.113 15.060 -22.723 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.782 15.060 -24.444 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -15.413 13.290 -24.819 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.656 13.088 -23.095 1.00 0.00 H new ATOM 1528 N LYS A 94 -11.810 14.536 -21.643 1.00 0.00 N ATOM 1529 CA LYS A 94 -10.671 15.102 -20.945 1.00 0.00 C ATOM 1530 C LYS A 94 -10.594 14.512 -19.542 1.00 0.00 C ATOM 1531 O LYS A 94 -11.310 14.948 -18.639 1.00 0.00 O ATOM 1532 CB LYS A 94 -10.781 16.629 -20.873 1.00 0.00 C ATOM 1533 CG LYS A 94 -9.606 17.294 -20.174 1.00 0.00 C ATOM 1534 CD LYS A 94 -9.775 18.804 -20.093 1.00 0.00 C ATOM 1535 CE LYS A 94 -9.904 19.429 -21.474 1.00 0.00 C ATOM 1536 NZ LYS A 94 -10.027 20.908 -21.406 1.00 0.00 N ATOM 0 H LYS A 94 -12.683 14.575 -21.118 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.762 14.855 -21.493 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.863 17.027 -21.885 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.700 16.894 -20.351 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.503 16.886 -19.169 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.686 17.060 -20.709 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.660 19.040 -19.502 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.920 19.239 -19.575 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.033 19.165 -22.074 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.777 19.015 -21.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.113 21.294 -22.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.872 21.161 -20.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.183 21.306 -20.947 1.00 0.00 H new ATOM 1550 N PRO A 95 -9.756 13.484 -19.348 1.00 0.00 N ATOM 1551 CA PRO A 95 -9.605 12.822 -18.064 1.00 0.00 C ATOM 1552 C PRO A 95 -8.607 13.540 -17.166 1.00 0.00 C ATOM 1553 O PRO A 95 -7.728 14.262 -17.642 1.00 0.00 O ATOM 1554 CB PRO A 95 -9.077 11.425 -18.426 1.00 0.00 C ATOM 1555 CG PRO A 95 -8.749 11.456 -19.893 1.00 0.00 C ATOM 1556 CD PRO A 95 -8.883 12.881 -20.361 1.00 0.00 C ATOM 0 HA PRO A 95 -10.543 12.803 -17.509 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -8.193 11.180 -17.837 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.824 10.661 -18.212 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -7.737 11.090 -20.067 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.423 10.805 -20.450 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.916 13.382 -20.409 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.322 12.938 -21.357 1.00 0.00 H new ATOM 1564 N ALA A 96 -8.747 13.339 -15.869 1.00 0.00 N ATOM 1565 CA ALA A 96 -7.818 13.904 -14.911 1.00 0.00 C ATOM 1566 C ALA A 96 -6.531 13.084 -14.900 1.00 0.00 C ATOM 1567 O ALA A 96 -6.582 11.855 -14.947 1.00 0.00 O ATOM 1568 CB ALA A 96 -8.451 13.938 -13.532 1.00 0.00 C ATOM 0 H ALA A 96 -9.498 12.787 -15.455 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.575 14.927 -15.199 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.746 14.364 -12.818 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.353 14.550 -13.561 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.710 12.925 -13.225 1.00 0.00 H new ATOM 1574 N PRO A 97 -5.367 13.750 -14.834 1.00 0.00 N ATOM 1575 CA PRO A 97 -4.053 13.093 -14.931 1.00 0.00 C ATOM 1576 C PRO A 97 -3.831 11.997 -13.886 1.00 0.00 C ATOM 1577 O PRO A 97 -3.029 11.083 -14.096 1.00 0.00 O ATOM 1578 CB PRO A 97 -3.055 14.240 -14.715 1.00 0.00 C ATOM 1579 CG PRO A 97 -3.851 15.353 -14.121 1.00 0.00 C ATOM 1580 CD PRO A 97 -5.235 15.204 -14.675 1.00 0.00 C ATOM 0 HA PRO A 97 -3.948 12.580 -15.887 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.247 13.937 -14.050 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -2.596 14.544 -15.656 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.857 15.293 -13.033 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -3.426 16.322 -14.384 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.988 15.607 -13.997 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -5.349 15.727 -15.625 1.00 0.00 H new ATOM 1588 N TYR A 98 -4.545 12.075 -12.770 1.00 0.00 N ATOM 1589 CA TYR A 98 -4.376 11.101 -11.696 1.00 0.00 C ATOM 1590 C TYR A 98 -5.187 9.835 -11.964 1.00 0.00 C ATOM 1591 O TYR A 98 -5.028 8.836 -11.264 1.00 0.00 O ATOM 1592 CB TYR A 98 -4.760 11.700 -10.335 1.00 0.00 C ATOM 1593 CG TYR A 98 -6.155 12.288 -10.269 1.00 0.00 C ATOM 1594 CD1 TYR A 98 -7.273 11.475 -10.136 1.00 0.00 C ATOM 1595 CD2 TYR A 98 -6.347 13.661 -10.330 1.00 0.00 C ATOM 1596 CE1 TYR A 98 -8.544 12.013 -10.070 1.00 0.00 C ATOM 1597 CE2 TYR A 98 -7.614 14.207 -10.263 1.00 0.00 C ATOM 1598 CZ TYR A 98 -8.709 13.380 -10.135 1.00 0.00 C ATOM 1599 OH TYR A 98 -9.974 13.920 -10.076 1.00 0.00 O ATOM 0 H TYR A 98 -5.242 12.796 -12.584 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.320 10.832 -11.667 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.672 10.924 -9.575 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -4.041 12.478 -10.081 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.147 10.404 -10.083 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.492 14.313 -10.431 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -9.403 11.366 -9.968 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -7.746 15.278 -10.311 1.00 0.00 H new ATOM 0 HH TYR A 98 -10.639 13.200 -10.107 1.00 0.00 H new ATOM 1609 N ILE A 99 -6.044 9.869 -12.983 1.00 0.00 N ATOM 1610 CA ILE A 99 -6.884 8.727 -13.303 1.00 0.00 C ATOM 1611 C ILE A 99 -6.175 7.777 -14.246 1.00 0.00 C ATOM 1612 O ILE A 99 -5.815 8.128 -15.371 1.00 0.00 O ATOM 1613 CB ILE A 99 -8.248 9.168 -13.879 1.00 0.00 C ATOM 1614 CG1 ILE A 99 -9.176 9.494 -12.722 1.00 0.00 C ATOM 1615 CG2 ILE A 99 -8.858 8.094 -14.767 1.00 0.00 C ATOM 1616 CD1 ILE A 99 -10.226 10.536 -13.049 1.00 0.00 C ATOM 0 H ILE A 99 -6.171 10.674 -13.596 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.080 8.194 -12.373 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.101 10.049 -14.504 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.674 8.579 -12.401 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.580 9.845 -11.880 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.816 8.442 -15.153 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.186 7.885 -15.599 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.009 7.184 -14.186 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.848 10.713 -12.172 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -9.737 11.466 -13.341 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -10.849 10.180 -13.870 1.00 0.00 H new ATOM 1628 N LYS A 100 -5.955 6.579 -13.750 1.00 0.00 N ATOM 1629 CA LYS A 100 -5.298 5.529 -14.510 1.00 0.00 C ATOM 1630 C LYS A 100 -5.983 4.197 -14.232 1.00 0.00 C ATOM 1631 O LYS A 100 -6.747 4.078 -13.278 1.00 0.00 O ATOM 1632 CB LYS A 100 -3.809 5.450 -14.150 1.00 0.00 C ATOM 1633 CG LYS A 100 -3.040 6.737 -14.411 1.00 0.00 C ATOM 1634 CD LYS A 100 -1.571 6.593 -14.057 1.00 0.00 C ATOM 1635 CE LYS A 100 -0.805 7.878 -14.327 1.00 0.00 C ATOM 1636 NZ LYS A 100 -1.255 9.001 -13.460 1.00 0.00 N ATOM 0 H LYS A 100 -6.226 6.301 -12.807 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.376 5.759 -15.573 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.714 5.189 -13.096 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.350 4.643 -14.721 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.136 7.012 -15.461 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.477 7.547 -13.828 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.474 6.324 -13.005 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.134 5.779 -14.636 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.259 7.704 -14.167 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.929 8.158 -15.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.496 9.708 -13.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.100 9.443 -13.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.485 8.638 -12.513 1.00 0.00 H new ATOM 1650 N VAL A 101 -5.714 3.199 -15.060 1.00 0.00 N ATOM 1651 CA VAL A 101 -6.365 1.901 -14.920 1.00 0.00 C ATOM 1652 C VAL A 101 -5.516 0.936 -14.084 1.00 0.00 C ATOM 1653 O VAL A 101 -4.308 0.823 -14.285 1.00 0.00 O ATOM 1654 CB VAL A 101 -6.670 1.281 -16.308 1.00 0.00 C ATOM 1655 CG1 VAL A 101 -5.399 1.102 -17.129 1.00 0.00 C ATOM 1656 CG2 VAL A 101 -7.407 -0.043 -16.163 1.00 0.00 C ATOM 0 H VAL A 101 -5.052 3.260 -15.834 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.307 2.065 -14.397 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.317 1.976 -16.843 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.649 0.665 -18.096 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.924 2.071 -17.281 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.713 0.441 -16.599 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.609 -0.457 -17.151 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.792 -0.742 -15.596 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.348 0.120 -15.639 1.00 0.00 H new ATOM 1666 N ASP A 102 -6.151 0.269 -13.125 1.00 0.00 N ATOM 1667 CA ASP A 102 -5.473 -0.731 -12.307 1.00 0.00 C ATOM 1668 C ASP A 102 -5.279 -2.022 -13.094 1.00 0.00 C ATOM 1669 O ASP A 102 -6.205 -2.811 -13.255 1.00 0.00 O ATOM 1670 CB ASP A 102 -6.278 -1.015 -11.039 1.00 0.00 C ATOM 1671 CG ASP A 102 -5.556 -1.946 -10.089 1.00 0.00 C ATOM 1672 OD1 ASP A 102 -5.560 -3.168 -10.328 1.00 0.00 O ATOM 1673 OD2 ASP A 102 -4.993 -1.468 -9.084 1.00 0.00 O ATOM 0 H ASP A 102 -7.136 0.403 -12.895 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.496 -0.338 -12.027 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.491 -0.075 -10.530 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.238 -1.453 -11.313 1.00 0.00 H new ATOM 1678 N TRP A 103 -4.069 -2.232 -13.581 1.00 0.00 N ATOM 1679 CA TRP A 103 -3.767 -3.390 -14.416 1.00 0.00 C ATOM 1680 C TRP A 103 -3.617 -4.667 -13.589 1.00 0.00 C ATOM 1681 O TRP A 103 -3.342 -5.736 -14.130 1.00 0.00 O ATOM 1682 CB TRP A 103 -2.497 -3.130 -15.236 1.00 0.00 C ATOM 1683 CG TRP A 103 -1.285 -2.824 -14.404 1.00 0.00 C ATOM 1684 CD1 TRP A 103 -0.353 -3.717 -13.956 1.00 0.00 C ATOM 1685 CD2 TRP A 103 -0.865 -1.537 -13.929 1.00 0.00 C ATOM 1686 NE1 TRP A 103 0.610 -3.067 -13.224 1.00 0.00 N ATOM 1687 CE2 TRP A 103 0.320 -1.729 -13.196 1.00 0.00 C ATOM 1688 CE3 TRP A 103 -1.377 -0.241 -14.053 1.00 0.00 C ATOM 1689 CZ2 TRP A 103 1.000 -0.674 -12.587 1.00 0.00 C ATOM 1690 CZ3 TRP A 103 -0.701 0.803 -13.449 1.00 0.00 C ATOM 1691 CH2 TRP A 103 0.476 0.580 -12.725 1.00 0.00 C ATOM 0 H TRP A 103 -3.274 -1.615 -13.414 1.00 0.00 H new ATOM 0 HA TRP A 103 -4.608 -3.539 -15.093 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -2.290 -4.004 -15.853 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -2.679 -2.297 -15.915 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -0.371 -4.779 -14.149 1.00 0.00 H new ATOM 0 HE1 TRP A 103 1.411 -3.509 -12.774 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -2.284 -0.059 -14.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 1.908 -0.843 -12.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -1.088 1.808 -13.537 1.00 0.00 H new ATOM 0 HH2 TRP A 103 0.981 1.417 -12.266 1.00 0.00 H new ATOM 1702 N ASN A 104 -3.801 -4.555 -12.279 1.00 0.00 N ATOM 1703 CA ASN A 104 -3.610 -5.686 -11.384 1.00 0.00 C ATOM 1704 C ASN A 104 -4.919 -6.431 -11.142 1.00 0.00 C ATOM 1705 O ASN A 104 -4.970 -7.659 -11.226 1.00 0.00 O ATOM 1706 CB ASN A 104 -3.029 -5.218 -10.048 1.00 0.00 C ATOM 1707 CG ASN A 104 -1.596 -4.731 -10.163 1.00 0.00 C ATOM 1708 OD1 ASN A 104 -0.816 -5.240 -10.966 1.00 0.00 O ATOM 1709 ND2 ASN A 104 -1.239 -3.735 -9.363 1.00 0.00 N ATOM 0 H ASN A 104 -4.082 -3.692 -11.814 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.909 -6.370 -11.863 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.649 -4.415 -9.650 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.072 -6.039 -9.332 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -0.289 -3.366 -9.401 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -1.914 -3.338 -8.710 1.00 0.00 H new ATOM 1716 N LYS A 105 -5.971 -5.688 -10.826 1.00 0.00 N ATOM 1717 CA LYS A 105 -7.269 -6.283 -10.535 1.00 0.00 C ATOM 1718 C LYS A 105 -8.076 -6.504 -11.800 1.00 0.00 C ATOM 1719 O LYS A 105 -9.001 -7.319 -11.812 1.00 0.00 O ATOM 1720 CB LYS A 105 -8.043 -5.428 -9.538 1.00 0.00 C ATOM 1721 CG LYS A 105 -7.625 -5.680 -8.102 1.00 0.00 C ATOM 1722 CD LYS A 105 -8.068 -4.560 -7.182 1.00 0.00 C ATOM 1723 CE LYS A 105 -7.366 -3.260 -7.532 1.00 0.00 C ATOM 1724 NZ LYS A 105 -5.887 -3.363 -7.388 1.00 0.00 N ATOM 0 H LYS A 105 -5.951 -4.670 -10.764 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.092 -7.260 -10.085 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.894 -4.375 -9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.109 -5.630 -9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.052 -6.622 -7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.541 -5.784 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.147 -4.427 -7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.852 -4.827 -6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.611 -2.981 -8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.738 -2.463 -6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.451 -2.448 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.651 -3.620 -6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.525 -4.093 -8.034 1.00 0.00 H new ATOM 1738 N TRP A 106 -7.745 -5.782 -12.861 1.00 0.00 N ATOM 1739 CA TRP A 106 -8.280 -6.125 -14.166 1.00 0.00 C ATOM 1740 C TRP A 106 -7.633 -7.425 -14.614 1.00 0.00 C ATOM 1741 O TRP A 106 -6.471 -7.445 -15.027 1.00 0.00 O ATOM 1742 CB TRP A 106 -8.018 -5.020 -15.192 1.00 0.00 C ATOM 1743 CG TRP A 106 -8.983 -3.872 -15.123 1.00 0.00 C ATOM 1744 CD1 TRP A 106 -8.904 -2.779 -14.313 1.00 0.00 C ATOM 1745 CD2 TRP A 106 -10.168 -3.702 -15.910 1.00 0.00 C ATOM 1746 NE1 TRP A 106 -9.959 -1.935 -14.549 1.00 0.00 N ATOM 1747 CE2 TRP A 106 -10.752 -2.480 -15.525 1.00 0.00 C ATOM 1748 CE3 TRP A 106 -10.788 -4.463 -16.908 1.00 0.00 C ATOM 1749 CZ2 TRP A 106 -11.927 -2.005 -16.100 1.00 0.00 C ATOM 1750 CZ3 TRP A 106 -11.956 -3.988 -17.475 1.00 0.00 C ATOM 1751 CH2 TRP A 106 -12.515 -2.770 -17.072 1.00 0.00 C ATOM 0 H TRP A 106 -7.123 -4.974 -12.845 1.00 0.00 H new ATOM 0 HA TRP A 106 -9.361 -6.240 -14.092 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -7.007 -4.639 -15.048 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -8.056 -5.452 -16.192 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -8.122 -2.603 -13.589 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -10.126 -1.047 -14.076 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -10.362 -5.402 -17.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -12.360 -1.065 -15.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -12.446 -4.568 -18.243 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -13.428 -2.427 -17.536 1.00 0.00 H new