USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 736 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 63 GLN : amide:sc= -0.212 K(o=-1,f=-3.9!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= -0.829 USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= -0.241 USER MOD Set 2.2: A 101 SER OG : rot -32:sc= 0.626 USER MOD Single : A 17 ASN : amide:sc= -2.35! C(o=-2.3!,f=-4.3!) USER MOD Single : A 22 GLN : amide:sc= -0.0795 X(o=-0.08,f=0) USER MOD Single : A 26 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.067) USER MOD Single : A 29 MET CE :methyl -152:sc= -0.177 (180deg=-1.41!) USER MOD Single : A 32 TYR OH : rot 30:sc= -0.752 USER MOD Single : A 33 ASN : amide:sc= -3.33! C(o=-3.3!,f=-1.4!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0754 USER MOD Single : A 37 ASN : amide:sc= -1.54! C(o=-1.5!,f=-5.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 97:sc= -0.504! USER MOD Single : A 42 SER OG : rot 150:sc= 0.007 USER MOD Single : A 49 SER OG : rot 180:sc= -0.227 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -75:sc= 0.877 USER MOD Single : A 59 LYS NZ :NH3+ 148:sc= -0.503 (180deg=-1.73!) USER MOD Single : A 69 THR OG1 : rot 120:sc= -7.57! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 84 HIS : no HE2:sc= -5.59! C(o=-5.6!,f=-8.5!) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= -0.167 (180deg=-0.634) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -16:sc= 0.612 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot -13:sc= -1.45! USER MOD Single : A 106 ASN : amide:sc= -2.08! C(o=-2.1!,f=-5.6!) USER MOD Single : A 107 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.83) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 112:sc= 0.109 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 7 N ALA A 10 -15.197 3.314 15.932 1.00 0.00 N ATOM 8 CA ALA A 10 -13.783 3.458 15.478 1.00 0.00 C ATOM 9 C ALA A 10 -13.273 2.113 14.950 1.00 0.00 C ATOM 10 O ALA A 10 -13.895 1.088 15.152 1.00 0.00 O ATOM 11 CB ALA A 10 -12.910 3.911 16.651 1.00 0.00 C ATOM 0 HA ALA A 10 -13.734 4.201 14.682 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.878 4.016 16.317 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.270 4.870 17.023 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.960 3.170 17.449 1.00 0.00 H new ATOM 17 N PRO A 11 -12.151 2.167 14.283 1.00 0.00 N ATOM 18 CA PRO A 11 -11.486 0.969 13.683 1.00 0.00 C ATOM 19 C PRO A 11 -10.692 0.201 14.744 1.00 0.00 C ATOM 20 O PRO A 11 -10.734 0.514 15.917 1.00 0.00 O ATOM 21 CB PRO A 11 -10.553 1.582 12.646 1.00 0.00 C ATOM 22 CG PRO A 11 -10.268 3.013 13.088 1.00 0.00 C ATOM 23 CD PRO A 11 -11.390 3.435 14.042 1.00 0.00 C ATOM 0 HA PRO A 11 -12.188 0.251 13.260 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.628 1.010 12.574 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.013 1.569 11.658 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.300 3.075 13.585 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.227 3.679 12.226 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.992 3.845 14.970 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.023 4.204 13.599 1.00 0.00 H new ATOM 31 N VAL A 12 -9.971 -0.804 14.332 1.00 0.00 N ATOM 32 CA VAL A 12 -9.165 -1.608 15.297 1.00 0.00 C ATOM 33 C VAL A 12 -7.917 -2.125 14.571 1.00 0.00 C ATOM 34 O VAL A 12 -7.813 -1.985 13.372 1.00 0.00 O ATOM 35 CB VAL A 12 -10.019 -2.779 15.799 1.00 0.00 C ATOM 36 CG1 VAL A 12 -11.424 -2.273 16.127 1.00 0.00 C ATOM 37 CG2 VAL A 12 -10.112 -3.859 14.717 1.00 0.00 C ATOM 0 H VAL A 12 -9.904 -1.106 13.360 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.860 -1.003 16.151 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.558 -3.203 16.691 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.035 -3.102 16.484 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.364 -1.507 16.900 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.876 -1.849 15.231 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.720 -4.687 15.081 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.570 -3.439 13.822 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.112 -4.221 14.477 1.00 0.00 H new ATOM 47 N PRO A 13 -6.999 -2.699 15.308 1.00 0.00 N ATOM 48 CA PRO A 13 -5.728 -3.244 14.738 1.00 0.00 C ATOM 49 C PRO A 13 -5.973 -4.602 14.068 1.00 0.00 C ATOM 50 O PRO A 13 -6.883 -5.325 14.422 1.00 0.00 O ATOM 51 CB PRO A 13 -4.826 -3.371 15.958 1.00 0.00 C ATOM 52 CG PRO A 13 -5.732 -3.469 17.180 1.00 0.00 C ATOM 53 CD PRO A 13 -7.096 -2.883 16.792 1.00 0.00 C ATOM 0 HA PRO A 13 -5.294 -2.615 13.961 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.192 -4.254 15.877 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.164 -2.509 16.038 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.837 -4.507 17.497 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.304 -2.921 18.019 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.911 -3.556 17.059 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.284 -1.937 17.301 1.00 0.00 H new ATOM 61 N VAL A 14 -5.178 -4.942 13.088 1.00 0.00 N ATOM 62 CA VAL A 14 -5.372 -6.238 12.377 1.00 0.00 C ATOM 63 C VAL A 14 -4.281 -7.233 12.789 1.00 0.00 C ATOM 64 O VAL A 14 -3.142 -6.870 13.003 1.00 0.00 O ATOM 65 CB VAL A 14 -5.283 -6.010 10.873 1.00 0.00 C ATOM 66 CG1 VAL A 14 -6.017 -7.134 10.138 1.00 0.00 C ATOM 67 CG2 VAL A 14 -5.902 -4.660 10.476 1.00 0.00 C ATOM 0 H VAL A 14 -4.400 -4.376 12.749 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.351 -6.640 12.639 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.229 -6.003 10.595 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.952 -6.969 9.063 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.559 -8.091 10.386 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.064 -7.144 10.441 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.823 -4.527 9.397 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.952 -4.641 10.768 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.370 -3.853 10.981 1.00 0.00 H new ATOM 77 N ASP A 15 -4.625 -8.490 12.882 1.00 0.00 N ATOM 78 CA ASP A 15 -3.611 -9.518 13.259 1.00 0.00 C ATOM 79 C ASP A 15 -2.810 -9.897 12.008 1.00 0.00 C ATOM 80 O ASP A 15 -3.365 -10.078 10.943 1.00 0.00 O ATOM 81 CB ASP A 15 -4.324 -10.766 13.813 1.00 0.00 C ATOM 82 CG ASP A 15 -5.572 -11.057 12.976 1.00 0.00 C ATOM 83 OD1 ASP A 15 -5.418 -11.367 11.807 1.00 0.00 O ATOM 84 OD2 ASP A 15 -6.660 -10.966 13.520 1.00 0.00 O ATOM 0 H ASP A 15 -5.564 -8.850 12.713 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.943 -9.121 14.023 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.650 -11.623 13.790 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.601 -10.606 14.855 1.00 0.00 H new ATOM 89 N GLU A 16 -1.514 -10.019 12.121 1.00 0.00 N ATOM 90 CA GLU A 16 -0.700 -10.383 10.924 1.00 0.00 C ATOM 91 C GLU A 16 -0.704 -11.906 10.736 1.00 0.00 C ATOM 92 O GLU A 16 0.145 -12.454 10.062 1.00 0.00 O ATOM 93 CB GLU A 16 0.742 -9.884 11.108 1.00 0.00 C ATOM 94 CG GLU A 16 0.722 -8.462 11.668 1.00 0.00 C ATOM 95 CD GLU A 16 1.871 -7.657 11.055 1.00 0.00 C ATOM 96 OE1 GLU A 16 2.989 -7.809 11.522 1.00 0.00 O ATOM 97 OE2 GLU A 16 1.613 -6.905 10.130 1.00 0.00 O ATOM 0 H GLU A 16 -0.987 -9.884 12.984 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.132 -9.914 10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.283 -10.545 11.785 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.269 -9.903 10.154 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.232 -7.984 11.443 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.819 -8.486 12.753 1.00 0.00 H new ATOM 104 N ASN A 17 -1.651 -12.597 11.323 1.00 0.00 N ATOM 105 CA ASN A 17 -1.698 -14.073 11.171 1.00 0.00 C ATOM 106 C ASN A 17 -2.482 -14.430 9.905 1.00 0.00 C ATOM 107 O ASN A 17 -2.077 -15.271 9.127 1.00 0.00 O ATOM 108 CB ASN A 17 -2.401 -14.678 12.387 1.00 0.00 C ATOM 109 CG ASN A 17 -2.146 -13.809 13.622 1.00 0.00 C ATOM 110 OD1 ASN A 17 -1.192 -13.059 13.665 1.00 0.00 O ATOM 111 ND2 ASN A 17 -2.966 -13.880 14.636 1.00 0.00 N ATOM 0 H ASN A 17 -2.391 -12.197 11.900 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.685 -14.467 11.095 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.472 -14.753 12.199 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.037 -15.690 12.562 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.805 -13.306 15.463 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.768 -14.510 14.601 1.00 0.00 H new ATOM 118 N ASP A 18 -3.607 -13.802 9.695 1.00 0.00 N ATOM 119 CA ASP A 18 -4.421 -14.109 8.485 1.00 0.00 C ATOM 120 C ASP A 18 -3.609 -13.796 7.222 1.00 0.00 C ATOM 121 O ASP A 18 -3.202 -12.674 6.998 1.00 0.00 O ATOM 122 CB ASP A 18 -5.693 -13.260 8.496 1.00 0.00 C ATOM 123 CG ASP A 18 -6.417 -13.409 7.157 1.00 0.00 C ATOM 124 OD1 ASP A 18 -7.195 -14.339 7.027 1.00 0.00 O ATOM 125 OD2 ASP A 18 -6.180 -12.590 6.284 1.00 0.00 O ATOM 0 H ASP A 18 -3.998 -13.089 10.310 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.688 -15.166 8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.345 -13.574 9.311 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.443 -12.214 8.672 1.00 0.00 H new ATOM 130 N GLU A 19 -3.363 -14.784 6.403 1.00 0.00 N ATOM 131 CA GLU A 19 -2.568 -14.546 5.160 1.00 0.00 C ATOM 132 C GLU A 19 -3.504 -14.178 3.986 1.00 0.00 C ATOM 133 O GLU A 19 -3.059 -13.984 2.872 1.00 0.00 O ATOM 134 CB GLU A 19 -1.765 -15.829 4.855 1.00 0.00 C ATOM 135 CG GLU A 19 -1.556 -16.005 3.352 1.00 0.00 C ATOM 136 CD GLU A 19 -0.660 -14.883 2.824 1.00 0.00 C ATOM 137 OE1 GLU A 19 -0.346 -13.989 3.594 1.00 0.00 O ATOM 138 OE2 GLU A 19 -0.302 -14.936 1.658 1.00 0.00 O ATOM 0 H GLU A 19 -3.677 -15.745 6.540 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.882 -13.710 5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.798 -15.784 5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.292 -16.695 5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.100 -16.974 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.516 -15.990 2.837 1.00 0.00 H new ATOM 145 N GLY A 20 -4.789 -14.070 4.216 1.00 0.00 N ATOM 146 CA GLY A 20 -5.715 -13.714 3.102 1.00 0.00 C ATOM 147 C GLY A 20 -5.584 -12.226 2.761 1.00 0.00 C ATOM 148 O GLY A 20 -5.999 -11.786 1.706 1.00 0.00 O ATOM 0 H GLY A 20 -5.233 -14.213 5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.488 -14.317 2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.742 -13.940 3.387 1.00 0.00 H new ATOM 152 N LEU A 21 -5.015 -11.444 3.639 1.00 0.00 N ATOM 153 CA LEU A 21 -4.867 -9.988 3.350 1.00 0.00 C ATOM 154 C LEU A 21 -3.803 -9.781 2.269 1.00 0.00 C ATOM 155 O LEU A 21 -3.695 -8.719 1.686 1.00 0.00 O ATOM 156 CB LEU A 21 -4.449 -9.253 4.625 1.00 0.00 C ATOM 157 CG LEU A 21 -4.381 -7.752 4.346 1.00 0.00 C ATOM 158 CD1 LEU A 21 -4.774 -6.982 5.607 1.00 0.00 C ATOM 159 CD2 LEU A 21 -2.957 -7.373 3.939 1.00 0.00 C ATOM 0 H LEU A 21 -4.648 -11.749 4.540 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.820 -9.593 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.163 -9.454 5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.479 -9.615 4.965 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.068 -7.501 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.726 -5.911 5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.789 -7.252 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.087 -7.233 6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.908 -6.302 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.269 -7.624 4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.677 -7.922 3.040 1.00 0.00 H new ATOM 171 N GLN A 22 -3.016 -10.786 1.992 1.00 0.00 N ATOM 172 CA GLN A 22 -1.970 -10.650 0.957 1.00 0.00 C ATOM 173 C GLN A 22 -2.621 -10.415 -0.409 1.00 0.00 C ATOM 174 O GLN A 22 -1.961 -10.066 -1.367 1.00 0.00 O ATOM 175 CB GLN A 22 -1.113 -11.914 0.945 1.00 0.00 C ATOM 176 CG GLN A 22 0.244 -11.577 0.354 1.00 0.00 C ATOM 177 CD GLN A 22 1.349 -12.207 1.207 1.00 0.00 C ATOM 178 OE1 GLN A 22 1.706 -11.679 2.242 1.00 0.00 O ATOM 179 NE2 GLN A 22 1.905 -13.320 0.815 1.00 0.00 N ATOM 0 H GLN A 22 -3.059 -11.699 2.446 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.332 -9.795 1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.998 -12.302 1.957 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.598 -12.694 0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.307 -11.945 -0.670 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.375 -10.496 0.313 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.604 -13.762 -0.054 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.640 -13.748 1.377 1.00 0.00 H new ATOM 188 N ARG A 23 -3.912 -10.600 -0.505 1.00 0.00 N ATOM 189 CA ARG A 23 -4.598 -10.382 -1.812 1.00 0.00 C ATOM 190 C ARG A 23 -4.934 -8.896 -1.965 1.00 0.00 C ATOM 191 O ARG A 23 -4.572 -8.266 -2.938 1.00 0.00 O ATOM 192 CB ARG A 23 -5.885 -11.210 -1.867 1.00 0.00 C ATOM 193 CG ARG A 23 -6.540 -11.041 -3.241 1.00 0.00 C ATOM 194 CD ARG A 23 -7.923 -10.407 -3.081 1.00 0.00 C ATOM 195 NE ARG A 23 -8.764 -10.752 -4.261 1.00 0.00 N ATOM 196 CZ ARG A 23 -8.974 -12.003 -4.567 1.00 0.00 C ATOM 197 NH1 ARG A 23 -9.135 -12.886 -3.621 1.00 0.00 N ATOM 198 NH2 ARG A 23 -9.024 -12.370 -5.818 1.00 0.00 N ATOM 0 H ARG A 23 -4.518 -10.891 0.262 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.940 -10.693 -2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.662 -12.261 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.571 -10.889 -1.083 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.914 -10.415 -3.878 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.628 -12.009 -3.734 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.396 -10.765 -2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.831 -9.325 -2.990 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.175 -10.011 -4.829 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.097 -12.598 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.299 -13.864 -3.859 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.899 -11.679 -6.558 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.188 -13.348 -6.056 1.00 0.00 H new ATOM 212 N ALA A 24 -5.616 -8.326 -1.007 1.00 0.00 N ATOM 213 CA ALA A 24 -5.959 -6.883 -1.099 1.00 0.00 C ATOM 214 C ALA A 24 -4.670 -6.080 -1.278 1.00 0.00 C ATOM 215 O ALA A 24 -4.686 -4.950 -1.725 1.00 0.00 O ATOM 216 CB ALA A 24 -6.660 -6.440 0.187 1.00 0.00 C ATOM 0 H ALA A 24 -5.949 -8.799 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.623 -6.714 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.911 -5.382 0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.572 -7.021 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.997 -6.601 1.037 1.00 0.00 H new ATOM 222 N LEU A 25 -3.552 -6.660 -0.929 1.00 0.00 N ATOM 223 CA LEU A 25 -2.263 -5.953 -1.072 1.00 0.00 C ATOM 224 C LEU A 25 -1.948 -5.796 -2.566 1.00 0.00 C ATOM 225 O LEU A 25 -1.490 -4.761 -3.008 1.00 0.00 O ATOM 226 CB LEU A 25 -1.188 -6.779 -0.345 1.00 0.00 C ATOM 227 CG LEU A 25 0.195 -6.535 -0.941 1.00 0.00 C ATOM 228 CD1 LEU A 25 0.306 -7.358 -2.222 1.00 0.00 C ATOM 229 CD2 LEU A 25 0.389 -5.046 -1.251 1.00 0.00 C ATOM 0 H LEU A 25 -3.485 -7.604 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.297 -4.957 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.181 -6.520 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.433 -7.839 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 25 0.967 -6.832 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.287 -7.202 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.177 -8.415 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.467 -7.045 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.381 -4.889 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.367 -4.722 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.292 -4.467 -0.332 1.00 0.00 H new ATOM 241 N GLN A 26 -2.206 -6.812 -3.347 1.00 0.00 N ATOM 242 CA GLN A 26 -1.937 -6.712 -4.814 1.00 0.00 C ATOM 243 C GLN A 26 -2.746 -5.538 -5.367 1.00 0.00 C ATOM 244 O GLN A 26 -2.273 -4.760 -6.171 1.00 0.00 O ATOM 245 CB GLN A 26 -2.386 -8.020 -5.522 1.00 0.00 C ATOM 246 CG GLN A 26 -1.314 -9.129 -5.424 1.00 0.00 C ATOM 247 CD GLN A 26 -1.536 -10.155 -6.545 1.00 0.00 C ATOM 248 OE1 GLN A 26 -0.699 -11.007 -6.767 1.00 0.00 O ATOM 249 NE2 GLN A 26 -2.627 -10.116 -7.269 1.00 0.00 N ATOM 0 H GLN A 26 -2.590 -7.704 -3.035 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.872 -6.561 -4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.315 -8.374 -5.075 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.596 -7.811 -6.571 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.318 -8.695 -5.506 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.370 -9.619 -4.452 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.334 -9.403 -7.088 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.770 -10.798 -8.014 1.00 0.00 H new ATOM 258 N PHE A 27 -3.963 -5.406 -4.925 1.00 0.00 N ATOM 259 CA PHE A 27 -4.820 -4.274 -5.401 1.00 0.00 C ATOM 260 C PHE A 27 -4.016 -2.987 -5.349 1.00 0.00 C ATOM 261 O PHE A 27 -4.017 -2.193 -6.267 1.00 0.00 O ATOM 262 CB PHE A 27 -6.033 -4.105 -4.495 1.00 0.00 C ATOM 263 CG PHE A 27 -7.269 -3.839 -5.324 1.00 0.00 C ATOM 264 CD1 PHE A 27 -7.163 -3.131 -6.530 1.00 0.00 C ATOM 265 CD2 PHE A 27 -8.523 -4.275 -4.880 1.00 0.00 C ATOM 266 CE1 PHE A 27 -8.308 -2.863 -7.287 1.00 0.00 C ATOM 267 CE2 PHE A 27 -9.668 -3.997 -5.634 1.00 0.00 C ATOM 268 CZ PHE A 27 -9.558 -3.292 -6.836 1.00 0.00 C ATOM 0 H PHE A 27 -4.407 -6.032 -4.253 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.148 -4.492 -6.417 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.175 -5.003 -3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.867 -3.281 -3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.197 -2.793 -6.874 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.606 -4.826 -3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.226 -2.325 -8.220 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.636 -4.327 -5.288 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.443 -3.078 -7.418 1.00 0.00 H new ATOM 278 N ALA A 28 -3.340 -2.779 -4.264 1.00 0.00 N ATOM 279 CA ALA A 28 -2.534 -1.539 -4.109 1.00 0.00 C ATOM 280 C ALA A 28 -1.338 -1.574 -5.061 1.00 0.00 C ATOM 281 O ALA A 28 -0.907 -0.557 -5.570 1.00 0.00 O ATOM 282 CB ALA A 28 -2.047 -1.444 -2.667 1.00 0.00 C ATOM 0 H ALA A 28 -3.308 -3.417 -3.469 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.146 -0.670 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.454 -0.538 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.904 -1.413 -1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.434 -2.314 -2.432 1.00 0.00 H new ATOM 288 N MET A 29 -0.794 -2.733 -5.306 1.00 0.00 N ATOM 289 CA MET A 29 0.375 -2.828 -6.225 1.00 0.00 C ATOM 290 C MET A 29 -0.024 -2.353 -7.628 1.00 0.00 C ATOM 291 O MET A 29 0.812 -1.954 -8.416 1.00 0.00 O ATOM 292 CB MET A 29 0.846 -4.281 -6.298 1.00 0.00 C ATOM 293 CG MET A 29 1.241 -4.760 -4.900 1.00 0.00 C ATOM 294 SD MET A 29 2.557 -3.703 -4.249 1.00 0.00 S ATOM 295 CE MET A 29 3.818 -4.140 -5.473 1.00 0.00 C ATOM 0 H MET A 29 -1.108 -3.619 -4.910 1.00 0.00 H new ATOM 0 HA MET A 29 1.180 -2.198 -5.847 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.053 -4.912 -6.700 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.695 -4.366 -6.976 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.376 -4.732 -4.237 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.579 -5.796 -4.941 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.808 -4.028 -5.031 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.676 -5.174 -5.788 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.730 -3.482 -6.337 1.00 0.00 H new ATOM 305 N ALA A 30 -1.288 -2.396 -7.951 1.00 0.00 N ATOM 306 CA ALA A 30 -1.726 -1.952 -9.306 1.00 0.00 C ATOM 307 C ALA A 30 -1.729 -0.423 -9.376 1.00 0.00 C ATOM 308 O ALA A 30 -1.105 0.171 -10.232 1.00 0.00 O ATOM 309 CB ALA A 30 -3.138 -2.476 -9.583 1.00 0.00 C ATOM 0 H ALA A 30 -2.036 -2.719 -7.337 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.036 -2.345 -10.052 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.459 -2.152 -10.573 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.137 -3.565 -9.540 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.825 -2.084 -8.833 1.00 0.00 H new ATOM 315 N GLU A 31 -2.430 0.219 -8.481 1.00 0.00 N ATOM 316 CA GLU A 31 -2.476 1.710 -8.496 1.00 0.00 C ATOM 317 C GLU A 31 -1.049 2.263 -8.434 1.00 0.00 C ATOM 318 O GLU A 31 -0.764 3.332 -8.937 1.00 0.00 O ATOM 319 CB GLU A 31 -3.270 2.213 -7.288 1.00 0.00 C ATOM 320 CG GLU A 31 -4.609 1.474 -7.208 1.00 0.00 C ATOM 321 CD GLU A 31 -5.329 1.573 -8.556 1.00 0.00 C ATOM 322 OE1 GLU A 31 -4.882 0.935 -9.493 1.00 0.00 O ATOM 323 OE2 GLU A 31 -6.317 2.286 -8.625 1.00 0.00 O ATOM 0 H GLU A 31 -2.973 -0.224 -7.740 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.960 2.048 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.700 2.053 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.440 3.286 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.444 0.428 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.228 1.905 -6.421 1.00 0.00 H new ATOM 330 N TYR A 32 -0.151 1.541 -7.822 1.00 0.00 N ATOM 331 CA TYR A 32 1.265 2.034 -7.733 1.00 0.00 C ATOM 332 C TYR A 32 1.898 2.030 -9.127 1.00 0.00 C ATOM 333 O TYR A 32 2.655 2.912 -9.481 1.00 0.00 O ATOM 334 CB TYR A 32 2.096 1.135 -6.811 1.00 0.00 C ATOM 335 CG TYR A 32 3.428 1.801 -6.531 1.00 0.00 C ATOM 336 CD1 TYR A 32 3.470 3.078 -5.956 1.00 0.00 C ATOM 337 CD2 TYR A 32 4.623 1.140 -6.851 1.00 0.00 C ATOM 338 CE1 TYR A 32 4.705 3.691 -5.700 1.00 0.00 C ATOM 339 CE2 TYR A 32 5.855 1.755 -6.594 1.00 0.00 C ATOM 340 CZ TYR A 32 5.895 3.028 -6.019 1.00 0.00 C ATOM 341 OH TYR A 32 7.110 3.633 -5.768 1.00 0.00 O ATOM 0 H TYR A 32 -0.328 0.638 -7.381 1.00 0.00 H new ATOM 0 HA TYR A 32 1.251 3.045 -7.327 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.561 0.958 -5.878 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.253 0.162 -7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.551 3.590 -5.710 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.593 0.156 -7.296 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.738 4.675 -5.256 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.775 1.245 -6.840 1.00 0.00 H new ATOM 0 HH TYR A 32 7.026 4.228 -4.994 1.00 0.00 H new ATOM 351 N ASN A 33 1.599 1.037 -9.915 1.00 0.00 N ATOM 352 CA ASN A 33 2.206 0.985 -11.305 1.00 0.00 C ATOM 353 C ASN A 33 1.806 2.251 -12.068 1.00 0.00 C ATOM 354 O ASN A 33 2.537 2.734 -12.910 1.00 0.00 O ATOM 355 CB ASN A 33 1.770 -0.265 -12.132 1.00 0.00 C ATOM 356 CG ASN A 33 2.091 -0.032 -13.620 1.00 0.00 C ATOM 357 OD1 ASN A 33 2.981 -0.659 -14.159 1.00 0.00 O ATOM 358 ND2 ASN A 33 1.404 0.843 -14.313 1.00 0.00 N ATOM 0 H ASN A 33 0.975 0.266 -9.678 1.00 0.00 H new ATOM 0 HA ASN A 33 3.286 0.916 -11.176 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.290 -1.153 -11.771 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.703 -0.446 -12.003 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.618 0.994 -15.299 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.655 1.373 -13.867 1.00 0.00 H new ATOM 365 N ARG A 34 0.652 2.789 -11.790 1.00 0.00 N ATOM 366 CA ARG A 34 0.215 4.020 -12.512 1.00 0.00 C ATOM 367 C ARG A 34 0.679 5.261 -11.747 1.00 0.00 C ATOM 368 O ARG A 34 0.636 6.365 -12.253 1.00 0.00 O ATOM 369 CB ARG A 34 -1.313 4.025 -12.659 1.00 0.00 C ATOM 370 CG ARG A 34 -1.704 4.920 -13.835 1.00 0.00 C ATOM 371 CD ARG A 34 -3.193 5.259 -13.744 1.00 0.00 C ATOM 372 NE ARG A 34 -3.972 4.017 -13.478 1.00 0.00 N ATOM 373 CZ ARG A 34 -3.898 3.010 -14.306 1.00 0.00 C ATOM 374 NH1 ARG A 34 -3.423 3.186 -15.508 1.00 0.00 N ATOM 375 NH2 ARG A 34 -4.301 1.827 -13.931 1.00 0.00 N ATOM 0 H ARG A 34 -0.007 2.433 -11.097 1.00 0.00 H new ATOM 0 HA ARG A 34 0.662 4.032 -13.506 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.678 3.011 -12.822 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.777 4.387 -11.742 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.110 5.834 -13.823 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.492 4.414 -14.777 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.363 5.985 -12.949 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.529 5.719 -14.673 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.563 3.953 -12.649 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.109 4.111 -15.802 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.366 2.399 -16.154 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.674 1.689 -12.992 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.243 1.040 -14.577 1.00 0.00 H new ATOM 389 N ALA A 35 1.112 5.092 -10.525 1.00 0.00 N ATOM 390 CA ALA A 35 1.568 6.267 -9.726 1.00 0.00 C ATOM 391 C ALA A 35 3.067 6.529 -9.952 1.00 0.00 C ATOM 392 O ALA A 35 3.568 7.582 -9.611 1.00 0.00 O ATOM 393 CB ALA A 35 1.323 5.995 -8.241 1.00 0.00 C ATOM 0 H ALA A 35 1.169 4.193 -10.047 1.00 0.00 H new ATOM 0 HA ALA A 35 1.006 7.145 -10.045 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.655 6.852 -7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.259 5.830 -8.072 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.880 5.109 -7.937 1.00 0.00 H new ATOM 399 N SER A 36 3.798 5.593 -10.511 1.00 0.00 N ATOM 400 CA SER A 36 5.253 5.830 -10.730 1.00 0.00 C ATOM 401 C SER A 36 5.471 6.517 -12.077 1.00 0.00 C ATOM 402 O SER A 36 6.584 6.834 -12.445 1.00 0.00 O ATOM 403 CB SER A 36 6.011 4.494 -10.663 1.00 0.00 C ATOM 404 OG SER A 36 5.165 3.448 -11.117 1.00 0.00 O ATOM 0 H SER A 36 3.451 4.685 -10.821 1.00 0.00 H new ATOM 0 HA SER A 36 5.638 6.484 -9.948 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.910 4.542 -11.278 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.334 4.297 -9.641 1.00 0.00 H new ATOM 0 HG SER A 36 5.648 2.596 -11.076 1.00 0.00 H new ATOM 410 N ASN A 37 4.410 6.758 -12.799 1.00 0.00 N ATOM 411 CA ASN A 37 4.514 7.440 -14.128 1.00 0.00 C ATOM 412 C ASN A 37 5.808 7.032 -14.850 1.00 0.00 C ATOM 413 O ASN A 37 5.838 6.074 -15.597 1.00 0.00 O ATOM 414 CB ASN A 37 4.504 8.956 -13.918 1.00 0.00 C ATOM 415 CG ASN A 37 4.724 9.662 -15.266 1.00 0.00 C ATOM 416 OD1 ASN A 37 4.835 9.013 -16.288 1.00 0.00 O ATOM 417 ND2 ASN A 37 4.792 10.971 -15.317 1.00 0.00 N ATOM 0 H ASN A 37 3.460 6.509 -12.523 1.00 0.00 H new ATOM 0 HA ASN A 37 3.665 7.141 -14.743 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.554 9.267 -13.483 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.286 9.241 -13.214 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.937 11.440 -16.211 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.699 11.520 -14.462 1.00 0.00 H new ATOM 424 N ASP A 38 6.870 7.765 -14.636 1.00 0.00 N ATOM 425 CA ASP A 38 8.163 7.461 -15.293 1.00 0.00 C ATOM 426 C ASP A 38 8.564 6.000 -15.073 1.00 0.00 C ATOM 427 O ASP A 38 7.765 5.163 -14.703 1.00 0.00 O ATOM 428 CB ASP A 38 9.216 8.384 -14.686 1.00 0.00 C ATOM 429 CG ASP A 38 9.601 7.890 -13.288 1.00 0.00 C ATOM 430 OD1 ASP A 38 8.889 7.053 -12.760 1.00 0.00 O ATOM 431 OD2 ASP A 38 10.601 8.362 -12.770 1.00 0.00 O ATOM 0 H ASP A 38 6.889 8.577 -14.019 1.00 0.00 H new ATOM 0 HA ASP A 38 8.076 7.619 -16.368 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.098 8.414 -15.326 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.830 9.402 -14.628 1.00 0.00 H new ATOM 436 N LYS A 39 9.809 5.701 -15.306 1.00 0.00 N ATOM 437 CA LYS A 39 10.303 4.306 -15.125 1.00 0.00 C ATOM 438 C LYS A 39 11.442 4.321 -14.119 1.00 0.00 C ATOM 439 O LYS A 39 12.424 3.632 -14.292 1.00 0.00 O ATOM 440 CB LYS A 39 10.864 3.775 -16.448 1.00 0.00 C ATOM 441 CG LYS A 39 11.400 4.931 -17.298 1.00 0.00 C ATOM 442 CD LYS A 39 12.540 4.421 -18.181 1.00 0.00 C ATOM 443 CE LYS A 39 12.015 4.152 -19.593 1.00 0.00 C ATOM 444 NZ LYS A 39 13.058 4.528 -20.590 1.00 0.00 N ATOM 0 H LYS A 39 10.514 6.369 -15.617 1.00 0.00 H new ATOM 0 HA LYS A 39 9.480 3.677 -14.786 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.661 3.058 -16.252 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.085 3.243 -16.994 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.603 5.344 -17.916 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.755 5.737 -16.655 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.344 5.156 -18.215 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.960 3.508 -17.758 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.755 3.099 -19.702 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.104 4.725 -19.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.702 4.346 -21.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.285 5.538 -20.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.915 3.963 -20.425 1.00 0.00 H new ATOM 458 N TYR A 40 11.364 5.127 -13.096 1.00 0.00 N ATOM 459 CA TYR A 40 12.501 5.180 -12.153 1.00 0.00 C ATOM 460 C TYR A 40 12.137 6.071 -10.955 1.00 0.00 C ATOM 461 O TYR A 40 11.260 6.909 -11.043 1.00 0.00 O ATOM 462 CB TYR A 40 13.673 5.853 -12.901 1.00 0.00 C ATOM 463 CG TYR A 40 14.621 4.851 -13.626 1.00 0.00 C ATOM 464 CD1 TYR A 40 15.570 4.109 -12.882 1.00 0.00 C ATOM 465 CD2 TYR A 40 14.602 4.684 -15.041 1.00 0.00 C ATOM 466 CE1 TYR A 40 16.452 3.231 -13.517 1.00 0.00 C ATOM 467 CE2 TYR A 40 15.496 3.801 -15.656 1.00 0.00 C ATOM 468 CZ TYR A 40 16.415 3.078 -14.898 1.00 0.00 C ATOM 469 OH TYR A 40 17.289 2.211 -15.520 1.00 0.00 O ATOM 0 H TYR A 40 10.576 5.738 -12.880 1.00 0.00 H new ATOM 0 HA TYR A 40 12.754 4.179 -11.803 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.269 6.551 -13.634 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.256 6.439 -12.190 1.00 0.00 H new ATOM 0 HD1 TYR A 40 15.613 4.223 -11.809 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.896 5.240 -15.640 1.00 0.00 H new ATOM 0 HE1 TYR A 40 17.165 2.669 -12.932 1.00 0.00 H new ATOM 0 HE2 TYR A 40 15.474 3.678 -16.729 1.00 0.00 H new ATOM 0 HH TYR A 40 17.129 2.223 -16.487 1.00 0.00 H new ATOM 479 N SER A 41 12.835 5.925 -9.850 1.00 0.00 N ATOM 480 CA SER A 41 12.569 6.794 -8.668 1.00 0.00 C ATOM 481 C SER A 41 11.413 6.302 -7.839 1.00 0.00 C ATOM 482 O SER A 41 11.027 6.921 -6.897 1.00 0.00 O ATOM 483 CB SER A 41 12.274 8.221 -9.101 1.00 0.00 C ATOM 484 OG SER A 41 12.851 8.472 -10.375 1.00 0.00 O ATOM 0 H SER A 41 13.578 5.238 -9.721 1.00 0.00 H new ATOM 0 HA SER A 41 13.473 6.761 -8.060 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.197 8.382 -9.143 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.673 8.922 -8.368 1.00 0.00 H new ATOM 0 HG SER A 41 12.173 8.346 -11.072 1.00 0.00 H new ATOM 490 N SER A 42 10.892 5.198 -8.158 1.00 0.00 N ATOM 491 CA SER A 42 9.747 4.663 -7.354 1.00 0.00 C ATOM 492 C SER A 42 10.208 3.502 -6.435 1.00 0.00 C ATOM 493 O SER A 42 10.993 2.672 -6.847 1.00 0.00 O ATOM 494 CB SER A 42 8.671 4.147 -8.310 1.00 0.00 C ATOM 495 OG SER A 42 9.075 4.389 -9.650 1.00 0.00 O ATOM 0 H SER A 42 11.188 4.615 -8.940 1.00 0.00 H new ATOM 0 HA SER A 42 9.354 5.464 -6.728 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.511 3.080 -8.154 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.722 4.644 -8.109 1.00 0.00 H new ATOM 0 HG SER A 42 8.701 3.697 -10.235 1.00 0.00 H new ATOM 501 N ARG A 43 9.709 3.396 -5.203 1.00 0.00 N ATOM 502 CA ARG A 43 10.130 2.243 -4.338 1.00 0.00 C ATOM 503 C ARG A 43 9.421 2.287 -2.984 1.00 0.00 C ATOM 504 O ARG A 43 8.862 3.293 -2.586 1.00 0.00 O ATOM 505 CB ARG A 43 11.636 2.215 -4.103 1.00 0.00 C ATOM 506 CG ARG A 43 12.211 0.949 -4.733 1.00 0.00 C ATOM 507 CD ARG A 43 11.996 -0.229 -3.779 1.00 0.00 C ATOM 508 NE ARG A 43 10.793 -1.000 -4.206 1.00 0.00 N ATOM 509 CZ ARG A 43 10.631 -2.233 -3.810 1.00 0.00 C ATOM 510 NH1 ARG A 43 11.472 -2.771 -2.969 1.00 0.00 N ATOM 511 NH2 ARG A 43 9.623 -2.932 -4.255 1.00 0.00 N ATOM 0 H ARG A 43 9.047 4.046 -4.779 1.00 0.00 H new ATOM 0 HA ARG A 43 9.847 1.339 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.102 3.098 -4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.851 2.236 -3.035 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.726 0.752 -5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.274 1.079 -4.935 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.874 -0.875 -3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.866 0.134 -2.759 1.00 0.00 H new ATOM 0 HE ARG A 43 10.096 -0.563 -4.809 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.260 -2.227 -2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.341 -3.735 -2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.963 -2.515 -4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.495 -3.896 -3.947 1.00 0.00 H new ATOM 525 N VAL A 44 9.441 1.184 -2.283 1.00 0.00 N ATOM 526 CA VAL A 44 8.772 1.112 -0.951 1.00 0.00 C ATOM 527 C VAL A 44 9.823 0.851 0.137 1.00 0.00 C ATOM 528 O VAL A 44 10.995 0.694 -0.143 1.00 0.00 O ATOM 529 CB VAL A 44 7.751 -0.044 -0.969 1.00 0.00 C ATOM 530 CG1 VAL A 44 8.482 -1.382 -0.815 1.00 0.00 C ATOM 531 CG2 VAL A 44 6.760 0.124 0.183 1.00 0.00 C ATOM 0 H VAL A 44 9.897 0.321 -2.580 1.00 0.00 H new ATOM 0 HA VAL A 44 8.263 2.053 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 44 7.213 -0.029 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.757 -2.196 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.186 -1.509 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.024 -1.394 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.041 -0.695 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.299 0.115 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.233 1.072 0.074 1.00 0.00 H new ATOM 541 N VAL A 45 9.407 0.798 1.373 1.00 0.00 N ATOM 542 CA VAL A 45 10.369 0.539 2.479 1.00 0.00 C ATOM 543 C VAL A 45 9.724 -0.398 3.503 1.00 0.00 C ATOM 544 O VAL A 45 10.142 -1.526 3.677 1.00 0.00 O ATOM 545 CB VAL A 45 10.732 1.858 3.164 1.00 0.00 C ATOM 546 CG1 VAL A 45 11.965 1.652 4.046 1.00 0.00 C ATOM 547 CG2 VAL A 45 11.035 2.915 2.104 1.00 0.00 C ATOM 0 H VAL A 45 8.438 0.924 1.664 1.00 0.00 H new ATOM 0 HA VAL A 45 11.270 0.079 2.073 1.00 0.00 H new ATOM 0 HB VAL A 45 9.896 2.190 3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.224 2.591 4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.749 0.897 4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.801 1.320 3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.294 3.855 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.871 2.583 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.157 3.062 1.475 1.00 0.00 H new ATOM 557 N ARG A 46 8.712 0.064 4.187 1.00 0.00 N ATOM 558 CA ARG A 46 8.043 -0.797 5.204 1.00 0.00 C ATOM 559 C ARG A 46 6.665 -0.216 5.540 1.00 0.00 C ATOM 560 O ARG A 46 6.349 0.901 5.184 1.00 0.00 O ATOM 561 CB ARG A 46 8.900 -0.835 6.469 1.00 0.00 C ATOM 562 CG ARG A 46 9.447 0.566 6.749 1.00 0.00 C ATOM 563 CD ARG A 46 9.404 0.839 8.253 1.00 0.00 C ATOM 564 NE ARG A 46 10.742 0.557 8.844 1.00 0.00 N ATOM 565 CZ ARG A 46 10.966 0.817 10.102 1.00 0.00 C ATOM 566 NH1 ARG A 46 11.114 2.052 10.498 1.00 0.00 N ATOM 567 NH2 ARG A 46 11.043 -0.159 10.967 1.00 0.00 N ATOM 0 H ARG A 46 8.320 1.000 4.085 1.00 0.00 H new ATOM 0 HA ARG A 46 7.924 -1.806 4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.306 -1.182 7.315 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.721 -1.541 6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.470 0.648 6.383 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.857 1.312 6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.123 1.876 8.438 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.646 0.214 8.726 1.00 0.00 H new ATOM 0 HE ARG A 46 11.482 0.161 8.265 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.054 2.815 9.823 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.289 2.254 11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.928 -1.124 10.658 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.218 0.044 11.951 1.00 0.00 H new ATOM 581 N VAL A 47 5.844 -0.965 6.227 1.00 0.00 N ATOM 582 CA VAL A 47 4.491 -0.453 6.589 1.00 0.00 C ATOM 583 C VAL A 47 4.579 0.309 7.918 1.00 0.00 C ATOM 584 O VAL A 47 5.398 0.006 8.764 1.00 0.00 O ATOM 585 CB VAL A 47 3.507 -1.639 6.693 1.00 0.00 C ATOM 586 CG1 VAL A 47 3.227 -2.002 8.159 1.00 0.00 C ATOM 587 CG2 VAL A 47 2.192 -1.255 6.011 1.00 0.00 C ATOM 0 H VAL A 47 6.052 -1.909 6.553 1.00 0.00 H new ATOM 0 HA VAL A 47 4.127 0.230 5.821 1.00 0.00 H new ATOM 0 HB VAL A 47 3.955 -2.505 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.531 -2.840 8.200 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.160 -2.281 8.649 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.791 -1.143 8.670 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.490 -2.086 6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.768 -0.381 6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.380 -1.024 4.962 1.00 0.00 H new ATOM 597 N ILE A 48 3.742 1.292 8.113 1.00 0.00 N ATOM 598 CA ILE A 48 3.788 2.055 9.394 1.00 0.00 C ATOM 599 C ILE A 48 2.777 1.453 10.371 1.00 0.00 C ATOM 600 O ILE A 48 2.887 1.619 11.568 1.00 0.00 O ATOM 601 CB ILE A 48 3.435 3.521 9.133 1.00 0.00 C ATOM 602 CG1 ILE A 48 4.467 4.135 8.184 1.00 0.00 C ATOM 603 CG2 ILE A 48 3.438 4.288 10.456 1.00 0.00 C ATOM 604 CD1 ILE A 48 5.849 4.107 8.840 1.00 0.00 C ATOM 0 H ILE A 48 3.033 1.598 7.446 1.00 0.00 H new ATOM 0 HA ILE A 48 4.790 1.998 9.818 1.00 0.00 H new ATOM 0 HB ILE A 48 2.446 3.581 8.680 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.488 3.581 7.245 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.189 5.161 7.943 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.187 5.332 10.272 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.702 3.851 11.131 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.427 4.227 10.909 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.582 4.545 8.163 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.824 4.680 9.767 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.127 3.076 9.059 1.00 0.00 H new ATOM 616 N SER A 49 1.805 0.744 9.858 1.00 0.00 N ATOM 617 CA SER A 49 0.767 0.105 10.728 1.00 0.00 C ATOM 618 C SER A 49 -0.420 -0.295 9.852 1.00 0.00 C ATOM 619 O SER A 49 -0.524 0.108 8.710 1.00 0.00 O ATOM 620 CB SER A 49 0.285 1.069 11.831 1.00 0.00 C ATOM 621 OG SER A 49 -0.715 0.425 12.606 1.00 0.00 O ATOM 0 H SER A 49 1.683 0.577 8.859 1.00 0.00 H new ATOM 0 HA SER A 49 1.204 -0.768 11.213 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.121 1.363 12.465 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.113 1.981 11.386 1.00 0.00 H new ATOM 0 HG SER A 49 -1.025 1.032 13.310 1.00 0.00 H new ATOM 627 N ALA A 50 -1.316 -1.086 10.370 1.00 0.00 N ATOM 628 CA ALA A 50 -2.488 -1.506 9.553 1.00 0.00 C ATOM 629 C ALA A 50 -3.721 -1.621 10.448 1.00 0.00 C ATOM 630 O ALA A 50 -3.763 -2.420 11.363 1.00 0.00 O ATOM 631 CB ALA A 50 -2.199 -2.864 8.907 1.00 0.00 C ATOM 0 H ALA A 50 -1.289 -1.459 11.319 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.672 -0.764 8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.056 -3.172 8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.320 -2.783 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.014 -3.605 9.685 1.00 0.00 H new ATOM 637 N LYS A 51 -4.730 -0.835 10.186 1.00 0.00 N ATOM 638 CA LYS A 51 -5.968 -0.917 11.026 1.00 0.00 C ATOM 639 C LYS A 51 -7.142 -1.290 10.125 1.00 0.00 C ATOM 640 O LYS A 51 -7.279 -0.780 9.038 1.00 0.00 O ATOM 641 CB LYS A 51 -6.241 0.435 11.698 1.00 0.00 C ATOM 642 CG LYS A 51 -4.989 0.897 12.449 1.00 0.00 C ATOM 643 CD LYS A 51 -5.366 1.996 13.446 1.00 0.00 C ATOM 644 CE LYS A 51 -5.460 1.404 14.854 1.00 0.00 C ATOM 645 NZ LYS A 51 -6.435 2.191 15.659 1.00 0.00 N ATOM 0 H LYS A 51 -4.755 -0.145 9.435 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.836 -1.670 11.803 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.522 1.175 10.949 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.080 0.347 12.388 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.536 0.056 12.973 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.246 1.270 11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.621 2.791 13.424 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.319 2.444 13.165 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.773 0.361 14.802 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.481 1.419 15.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.499 1.789 16.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.118 3.180 15.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.370 2.155 15.205 1.00 0.00 H new ATOM 659 N ARG A 52 -7.987 -2.188 10.551 1.00 0.00 N ATOM 660 CA ARG A 52 -9.130 -2.578 9.676 1.00 0.00 C ATOM 661 C ARG A 52 -10.426 -1.936 10.169 1.00 0.00 C ATOM 662 O ARG A 52 -10.717 -1.900 11.347 1.00 0.00 O ATOM 663 CB ARG A 52 -9.303 -4.107 9.680 1.00 0.00 C ATOM 664 CG ARG A 52 -9.256 -4.616 11.123 1.00 0.00 C ATOM 665 CD ARG A 52 -9.601 -6.106 11.153 1.00 0.00 C ATOM 666 NE ARG A 52 -9.642 -6.575 12.565 1.00 0.00 N ATOM 667 CZ ARG A 52 -10.235 -7.697 12.863 1.00 0.00 C ATOM 668 NH1 ARG A 52 -10.054 -8.751 12.113 1.00 0.00 N ATOM 669 NH2 ARG A 52 -11.012 -7.767 13.910 1.00 0.00 N ATOM 0 H ARG A 52 -7.939 -2.663 11.453 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.915 -2.232 8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.252 -4.379 9.217 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.515 -4.576 9.091 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.264 -4.454 11.544 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.960 -4.057 11.740 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.565 -6.277 10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.860 -6.674 10.591 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.206 -6.018 13.300 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.449 -8.696 11.294 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.518 -9.629 12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.155 -6.944 14.495 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.476 -8.645 14.143 1.00 0.00 H new ATOM 683 N GLN A 53 -11.213 -1.456 9.250 1.00 0.00 N ATOM 684 CA GLN A 53 -12.520 -0.838 9.614 1.00 0.00 C ATOM 685 C GLN A 53 -13.630 -1.725 9.043 1.00 0.00 C ATOM 686 O GLN A 53 -13.420 -2.438 8.085 1.00 0.00 O ATOM 687 CB GLN A 53 -12.612 0.564 9.006 1.00 0.00 C ATOM 688 CG GLN A 53 -14.052 1.067 9.103 1.00 0.00 C ATOM 689 CD GLN A 53 -14.063 2.596 9.046 1.00 0.00 C ATOM 690 OE1 GLN A 53 -14.511 3.248 9.969 1.00 0.00 O ATOM 691 NE2 GLN A 53 -13.583 3.201 7.994 1.00 0.00 N ATOM 0 H GLN A 53 -11.006 -1.465 8.251 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.618 -0.755 10.696 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.942 1.244 9.531 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.292 0.542 7.964 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -14.647 0.658 8.287 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -14.507 0.724 10.032 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.207 2.655 7.219 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.584 4.220 7.947 1.00 0.00 H new ATOM 700 N LEU A 54 -14.802 -1.711 9.617 1.00 0.00 N ATOM 701 CA LEU A 54 -15.882 -2.589 9.075 1.00 0.00 C ATOM 702 C LEU A 54 -16.969 -1.745 8.379 1.00 0.00 C ATOM 703 O LEU A 54 -17.234 -0.626 8.772 1.00 0.00 O ATOM 704 CB LEU A 54 -16.511 -3.386 10.220 1.00 0.00 C ATOM 705 CG LEU A 54 -17.183 -2.428 11.205 1.00 0.00 C ATOM 706 CD1 LEU A 54 -18.679 -2.353 10.899 1.00 0.00 C ATOM 707 CD2 LEU A 54 -16.977 -2.939 12.633 1.00 0.00 C ATOM 0 H LEU A 54 -15.058 -1.141 10.423 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.447 -3.270 8.344 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -17.243 -4.091 9.826 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.747 -3.972 10.731 1.00 0.00 H new ATOM 0 HG LEU A 54 -16.742 -1.436 11.108 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -19.160 -1.671 11.600 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -18.825 -1.990 9.882 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -19.121 -3.345 10.997 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -17.455 -2.257 13.336 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.418 -3.931 12.732 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.910 -2.994 12.850 1.00 0.00 H new ATOM 719 N VAL A 55 -17.607 -2.276 7.357 1.00 0.00 N ATOM 720 CA VAL A 55 -18.670 -1.534 6.638 1.00 0.00 C ATOM 721 C VAL A 55 -19.368 -2.591 5.790 1.00 0.00 C ATOM 722 O VAL A 55 -19.167 -2.639 4.595 1.00 0.00 O ATOM 723 CB VAL A 55 -18.028 -0.490 5.720 1.00 0.00 C ATOM 724 CG1 VAL A 55 -17.430 0.641 6.561 1.00 0.00 C ATOM 725 CG2 VAL A 55 -16.921 -1.159 4.903 1.00 0.00 C ATOM 0 H VAL A 55 -17.424 -3.211 6.993 1.00 0.00 H new ATOM 0 HA VAL A 55 -19.353 -1.018 7.313 1.00 0.00 H new ATOM 0 HB VAL A 55 -18.783 -0.077 5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -16.974 1.381 5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -18.217 1.113 7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.672 0.235 7.231 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.458 -0.423 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -16.168 -1.568 5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.347 -1.963 4.303 1.00 0.00 H new ATOM 735 N SER A 56 -20.107 -3.504 6.406 1.00 0.00 N ATOM 736 CA SER A 56 -20.723 -4.621 5.642 1.00 0.00 C ATOM 737 C SER A 56 -19.691 -5.745 5.658 1.00 0.00 C ATOM 738 O SER A 56 -19.943 -6.845 6.108 1.00 0.00 O ATOM 739 CB SER A 56 -21.006 -4.191 4.214 1.00 0.00 C ATOM 740 OG SER A 56 -22.033 -4.997 3.658 1.00 0.00 O ATOM 0 H SER A 56 -20.301 -3.510 7.407 1.00 0.00 H new ATOM 0 HA SER A 56 -21.671 -4.934 6.079 1.00 0.00 H new ATOM 0 HB2 SER A 56 -21.304 -3.143 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 56 -20.100 -4.277 3.614 1.00 0.00 H new ATOM 0 HG SER A 56 -21.672 -5.881 3.436 1.00 0.00 H new ATOM 746 N GLY A 57 -18.505 -5.440 5.201 1.00 0.00 N ATOM 747 CA GLY A 57 -17.406 -6.421 5.208 1.00 0.00 C ATOM 748 C GLY A 57 -16.232 -5.805 5.977 1.00 0.00 C ATOM 749 O GLY A 57 -16.436 -5.038 6.902 1.00 0.00 O ATOM 0 H GLY A 57 -18.257 -4.528 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -17.726 -7.350 5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.108 -6.668 4.189 1.00 0.00 H new ATOM 753 N ILE A 58 -15.002 -6.097 5.610 1.00 0.00 N ATOM 754 CA ILE A 58 -13.871 -5.478 6.350 1.00 0.00 C ATOM 755 C ILE A 58 -13.185 -4.444 5.457 1.00 0.00 C ATOM 756 O ILE A 58 -13.395 -4.400 4.261 1.00 0.00 O ATOM 757 CB ILE A 58 -12.849 -6.546 6.773 1.00 0.00 C ATOM 758 CG1 ILE A 58 -13.437 -7.948 6.586 1.00 0.00 C ATOM 759 CG2 ILE A 58 -12.486 -6.342 8.247 1.00 0.00 C ATOM 760 CD1 ILE A 58 -12.376 -8.996 6.920 1.00 0.00 C ATOM 0 H ILE A 58 -14.744 -6.723 4.847 1.00 0.00 H new ATOM 0 HA ILE A 58 -14.262 -4.996 7.246 1.00 0.00 H new ATOM 0 HB ILE A 58 -11.958 -6.450 6.153 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -14.307 -8.078 7.230 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -13.779 -8.076 5.559 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.761 -7.097 8.551 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -12.054 -5.350 8.382 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -13.384 -6.433 8.859 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -12.795 -9.993 6.787 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.520 -8.871 6.257 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.055 -8.872 7.954 1.00 0.00 H new ATOM 772 N LYS A 59 -12.362 -3.621 6.036 1.00 0.00 N ATOM 773 CA LYS A 59 -11.641 -2.585 5.243 1.00 0.00 C ATOM 774 C LYS A 59 -10.211 -2.511 5.769 1.00 0.00 C ATOM 775 O LYS A 59 -9.972 -2.710 6.943 1.00 0.00 O ATOM 776 CB LYS A 59 -12.331 -1.226 5.420 1.00 0.00 C ATOM 777 CG LYS A 59 -11.617 -0.172 4.572 1.00 0.00 C ATOM 778 CD LYS A 59 -12.536 0.269 3.430 1.00 0.00 C ATOM 779 CE LYS A 59 -13.555 1.282 3.957 1.00 0.00 C ATOM 780 NZ LYS A 59 -14.828 1.157 3.190 1.00 0.00 N ATOM 0 H LYS A 59 -12.154 -3.619 7.035 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.645 -2.840 4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.378 -1.297 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.316 -0.933 6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.348 0.685 5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.689 -0.580 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.948 0.713 2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.050 -0.595 3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.739 1.110 5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.160 2.293 3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.631 1.386 3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.814 1.815 2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.928 0.183 2.840 1.00 0.00 H new ATOM 794 N TYR A 60 -9.255 -2.256 4.927 1.00 0.00 N ATOM 795 CA TYR A 60 -7.850 -2.203 5.421 1.00 0.00 C ATOM 796 C TYR A 60 -7.229 -0.835 5.140 1.00 0.00 C ATOM 797 O TYR A 60 -7.124 -0.403 4.010 1.00 0.00 O ATOM 798 CB TYR A 60 -7.025 -3.289 4.728 1.00 0.00 C ATOM 799 CG TYR A 60 -7.595 -4.644 5.069 1.00 0.00 C ATOM 800 CD1 TYR A 60 -7.591 -5.089 6.398 1.00 0.00 C ATOM 801 CD2 TYR A 60 -8.130 -5.457 4.062 1.00 0.00 C ATOM 802 CE1 TYR A 60 -8.117 -6.345 6.718 1.00 0.00 C ATOM 803 CE2 TYR A 60 -8.657 -6.713 4.384 1.00 0.00 C ATOM 804 CZ TYR A 60 -8.651 -7.157 5.712 1.00 0.00 C ATOM 805 OH TYR A 60 -9.170 -8.397 6.028 1.00 0.00 O ATOM 0 H TYR A 60 -9.379 -2.083 3.929 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.853 -2.369 6.498 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.038 -3.138 3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.984 -3.229 5.046 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.181 -4.462 7.176 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.136 -5.115 3.038 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.111 -6.688 7.742 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.069 -7.340 3.607 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.501 -8.830 5.214 1.00 0.00 H new ATOM 815 N ILE A 61 -6.795 -0.164 6.170 1.00 0.00 N ATOM 816 CA ILE A 61 -6.154 1.166 5.991 1.00 0.00 C ATOM 817 C ILE A 61 -4.697 1.060 6.440 1.00 0.00 C ATOM 818 O ILE A 61 -4.408 0.750 7.586 1.00 0.00 O ATOM 819 CB ILE A 61 -6.884 2.217 6.840 1.00 0.00 C ATOM 820 CG1 ILE A 61 -7.173 1.638 8.224 1.00 0.00 C ATOM 821 CG2 ILE A 61 -8.208 2.602 6.171 1.00 0.00 C ATOM 822 CD1 ILE A 61 -7.494 2.775 9.195 1.00 0.00 C ATOM 0 H ILE A 61 -6.858 -0.484 7.136 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.205 1.468 4.945 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.254 3.102 6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.011 0.943 8.171 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.312 1.073 8.581 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.720 3.348 6.779 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.009 3.015 5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.838 1.718 6.075 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.700 2.363 10.183 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.643 3.453 9.255 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.368 3.321 8.840 1.00 0.00 H new ATOM 834 N LEU A 62 -3.777 1.284 5.540 1.00 0.00 N ATOM 835 CA LEU A 62 -2.343 1.173 5.897 1.00 0.00 C ATOM 836 C LEU A 62 -1.606 2.466 5.534 1.00 0.00 C ATOM 837 O LEU A 62 -1.851 3.068 4.501 1.00 0.00 O ATOM 838 CB LEU A 62 -1.735 -0.023 5.136 1.00 0.00 C ATOM 839 CG LEU A 62 -1.366 0.360 3.694 1.00 0.00 C ATOM 840 CD1 LEU A 62 -0.232 -0.544 3.207 1.00 0.00 C ATOM 841 CD2 LEU A 62 -2.586 0.168 2.794 1.00 0.00 C ATOM 0 H LEU A 62 -3.963 1.540 4.570 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.241 1.014 6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.846 -0.376 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.447 -0.849 5.124 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.046 1.401 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.033 -0.276 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.637 -0.417 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.557 -1.584 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.329 0.439 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.901 -0.875 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.400 0.803 3.144 1.00 0.00 H new ATOM 853 N GLN A 63 -0.689 2.872 6.374 1.00 0.00 N ATOM 854 CA GLN A 63 0.113 4.102 6.104 1.00 0.00 C ATOM 855 C GLN A 63 1.526 3.637 5.751 1.00 0.00 C ATOM 856 O GLN A 63 2.313 3.296 6.611 1.00 0.00 O ATOM 857 CB GLN A 63 0.153 5.001 7.356 1.00 0.00 C ATOM 858 CG GLN A 63 -0.946 4.583 8.339 1.00 0.00 C ATOM 859 CD GLN A 63 -1.393 5.799 9.155 1.00 0.00 C ATOM 860 OE1 GLN A 63 -1.108 6.925 8.796 1.00 0.00 O ATOM 861 NE2 GLN A 63 -2.083 5.619 10.247 1.00 0.00 N ATOM 0 H GLN A 63 -0.459 2.397 7.247 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.327 4.682 5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.129 4.926 7.836 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.018 6.044 7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.794 4.165 7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.576 3.802 9.004 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.323 4.675 10.549 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.383 6.423 10.799 1.00 0.00 H new ATOM 870 N VAL A 64 1.836 3.567 4.488 1.00 0.00 N ATOM 871 CA VAL A 64 3.157 3.067 4.061 1.00 0.00 C ATOM 872 C VAL A 64 4.168 4.205 3.932 1.00 0.00 C ATOM 873 O VAL A 64 3.831 5.323 3.618 1.00 0.00 O ATOM 874 CB VAL A 64 2.962 2.419 2.694 1.00 0.00 C ATOM 875 CG1 VAL A 64 1.675 1.589 2.701 1.00 0.00 C ATOM 876 CG2 VAL A 64 2.866 3.512 1.618 1.00 0.00 C ATOM 0 H VAL A 64 1.215 3.841 3.726 1.00 0.00 H new ATOM 0 HA VAL A 64 3.543 2.364 4.799 1.00 0.00 H new ATOM 0 HB VAL A 64 3.809 1.769 2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.535 1.126 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.746 0.813 3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.826 2.236 2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.727 3.049 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.019 4.163 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.784 4.100 1.614 1.00 0.00 H new ATOM 886 N GLU A 65 5.417 3.902 4.115 1.00 0.00 N ATOM 887 CA GLU A 65 6.467 4.933 3.940 1.00 0.00 C ATOM 888 C GLU A 65 7.236 4.553 2.678 1.00 0.00 C ATOM 889 O GLU A 65 8.271 3.922 2.736 1.00 0.00 O ATOM 890 CB GLU A 65 7.409 4.935 5.147 1.00 0.00 C ATOM 891 CG GLU A 65 8.586 5.876 4.876 1.00 0.00 C ATOM 892 CD GLU A 65 8.057 7.260 4.494 1.00 0.00 C ATOM 893 OE1 GLU A 65 7.447 7.894 5.339 1.00 0.00 O ATOM 894 OE2 GLU A 65 8.271 7.662 3.362 1.00 0.00 O ATOM 0 H GLU A 65 5.758 2.978 4.380 1.00 0.00 H new ATOM 0 HA GLU A 65 6.033 5.929 3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.872 5.255 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.773 3.926 5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.218 5.948 5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.206 5.478 4.073 1.00 0.00 H new ATOM 901 N ILE A 66 6.716 4.895 1.530 1.00 0.00 N ATOM 902 CA ILE A 66 7.406 4.503 0.269 1.00 0.00 C ATOM 903 C ILE A 66 8.382 5.599 -0.153 1.00 0.00 C ATOM 904 O ILE A 66 8.157 6.763 0.090 1.00 0.00 O ATOM 905 CB ILE A 66 6.368 4.246 -0.833 1.00 0.00 C ATOM 906 CG1 ILE A 66 5.495 5.493 -1.048 1.00 0.00 C ATOM 907 CG2 ILE A 66 5.493 3.059 -0.415 1.00 0.00 C ATOM 908 CD1 ILE A 66 4.200 5.104 -1.775 1.00 0.00 C ATOM 0 H ILE A 66 5.852 5.424 1.411 1.00 0.00 H new ATOM 0 HA ILE A 66 7.970 3.585 0.436 1.00 0.00 H new ATOM 0 HB ILE A 66 6.878 4.021 -1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.260 5.953 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.041 6.234 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.750 2.864 -1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.118 2.176 -0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.988 3.292 0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.586 5.992 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.444 4.664 -2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.650 4.379 -1.175 1.00 0.00 H new ATOM 920 N GLY A 67 9.477 5.232 -0.768 1.00 0.00 N ATOM 921 CA GLY A 67 10.475 6.258 -1.176 1.00 0.00 C ATOM 922 C GLY A 67 10.801 6.119 -2.668 1.00 0.00 C ATOM 923 O GLY A 67 10.215 5.306 -3.381 1.00 0.00 O ATOM 0 H GLY A 67 9.720 4.270 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.085 7.255 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.385 6.145 -0.586 1.00 0.00 H new ATOM 927 N ARG A 68 11.724 6.915 -3.153 1.00 0.00 N ATOM 928 CA ARG A 68 12.083 6.843 -4.587 1.00 0.00 C ATOM 929 C ARG A 68 13.365 6.012 -4.757 1.00 0.00 C ATOM 930 O ARG A 68 14.169 5.927 -3.854 1.00 0.00 O ATOM 931 CB ARG A 68 12.315 8.263 -5.117 1.00 0.00 C ATOM 932 CG ARG A 68 11.118 9.143 -4.751 1.00 0.00 C ATOM 933 CD ARG A 68 11.043 10.328 -5.716 1.00 0.00 C ATOM 934 NE ARG A 68 10.467 11.509 -5.011 1.00 0.00 N ATOM 935 CZ ARG A 68 9.552 12.231 -5.592 1.00 0.00 C ATOM 936 NH1 ARG A 68 9.586 12.412 -6.883 1.00 0.00 N ATOM 937 NH2 ARG A 68 8.601 12.771 -4.881 1.00 0.00 N ATOM 0 H ARG A 68 12.239 7.608 -2.610 1.00 0.00 H new ATOM 0 HA ARG A 68 11.275 6.370 -5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.229 8.677 -4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.448 8.242 -6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.197 8.562 -4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.216 9.500 -3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.037 10.566 -6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.428 10.070 -6.578 1.00 0.00 H new ATOM 0 HE ARG A 68 10.789 11.751 -4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.329 11.988 -7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.869 12.978 -7.338 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.575 12.628 -3.871 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.884 13.337 -5.335 1.00 0.00 H new ATOM 951 N THR A 69 13.589 5.395 -5.898 1.00 0.00 N ATOM 952 CA THR A 69 14.846 4.587 -6.028 1.00 0.00 C ATOM 953 C THR A 69 15.513 4.752 -7.411 1.00 0.00 C ATOM 954 O THR A 69 15.004 5.436 -8.281 1.00 0.00 O ATOM 955 CB THR A 69 14.556 3.112 -5.779 1.00 0.00 C ATOM 956 OG1 THR A 69 13.245 2.798 -6.227 1.00 0.00 O ATOM 957 CG2 THR A 69 14.689 2.818 -4.282 1.00 0.00 C ATOM 0 H THR A 69 12.980 5.414 -6.716 1.00 0.00 H new ATOM 0 HA THR A 69 15.540 4.962 -5.276 1.00 0.00 H new ATOM 0 HB THR A 69 15.269 2.499 -6.330 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.293 2.109 -6.922 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.482 1.764 -4.099 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.702 3.052 -3.954 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.978 3.429 -3.727 1.00 0.00 H new ATOM 965 N THR A 70 16.670 4.134 -7.615 1.00 0.00 N ATOM 966 CA THR A 70 17.387 4.274 -8.929 1.00 0.00 C ATOM 967 C THR A 70 17.097 3.094 -9.874 1.00 0.00 C ATOM 968 O THR A 70 17.973 2.659 -10.594 1.00 0.00 O ATOM 969 CB THR A 70 18.894 4.325 -8.665 1.00 0.00 C ATOM 970 OG1 THR A 70 19.257 3.266 -7.791 1.00 0.00 O ATOM 971 CG2 THR A 70 19.261 5.665 -8.022 1.00 0.00 C ATOM 0 H THR A 70 17.140 3.544 -6.928 1.00 0.00 H new ATOM 0 HA THR A 70 17.034 5.188 -9.407 1.00 0.00 H new ATOM 0 HB THR A 70 19.429 4.220 -9.609 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.222 3.297 -7.623 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.334 5.697 -7.836 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.985 6.478 -8.693 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.726 5.775 -7.079 1.00 0.00 H new ATOM 1123 N GLU A 82 18.020 0.897 -3.736 1.00 0.00 N ATOM 1124 CA GLU A 82 18.512 2.116 -3.030 1.00 0.00 C ATOM 1125 C GLU A 82 17.796 3.394 -3.502 1.00 0.00 C ATOM 1126 O GLU A 82 17.423 3.551 -4.665 1.00 0.00 O ATOM 1127 CB GLU A 82 20.008 2.259 -3.292 1.00 0.00 C ATOM 1128 CG GLU A 82 20.728 0.986 -2.844 1.00 0.00 C ATOM 1129 CD GLU A 82 20.900 1.003 -1.324 1.00 0.00 C ATOM 1130 OE1 GLU A 82 20.159 1.721 -0.673 1.00 0.00 O ATOM 1131 OE2 GLU A 82 21.770 0.299 -0.837 1.00 0.00 O ATOM 0 HA GLU A 82 18.304 1.996 -1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.187 2.437 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 82 20.402 3.121 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.157 0.108 -3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 82 21.701 0.916 -3.330 1.00 0.00 H new ATOM 1138 N PHE A 83 17.648 4.323 -2.583 1.00 0.00 N ATOM 1139 CA PHE A 83 17.005 5.636 -2.897 1.00 0.00 C ATOM 1140 C PHE A 83 18.103 6.687 -3.075 1.00 0.00 C ATOM 1141 O PHE A 83 18.483 7.364 -2.141 1.00 0.00 O ATOM 1142 CB PHE A 83 16.068 6.088 -1.756 1.00 0.00 C ATOM 1143 CG PHE A 83 15.320 4.900 -1.160 1.00 0.00 C ATOM 1144 CD1 PHE A 83 15.992 3.971 -0.352 1.00 0.00 C ATOM 1145 CD2 PHE A 83 13.944 4.731 -1.411 1.00 0.00 C ATOM 1146 CE1 PHE A 83 15.298 2.885 0.197 1.00 0.00 C ATOM 1147 CE2 PHE A 83 13.258 3.642 -0.858 1.00 0.00 C ATOM 1148 CZ PHE A 83 13.933 2.720 -0.057 1.00 0.00 C ATOM 0 H PHE A 83 17.952 4.222 -1.615 1.00 0.00 H new ATOM 0 HA PHE A 83 16.414 5.525 -3.806 1.00 0.00 H new ATOM 0 HB2 PHE A 83 16.649 6.584 -0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 83 15.354 6.819 -2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 83 17.046 4.093 -0.153 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.417 5.442 -2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.819 2.172 0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.203 3.516 -1.052 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.402 1.880 0.366 1.00 0.00 H new ATOM 1158 N HIS A 84 18.617 6.831 -4.265 1.00 0.00 N ATOM 1159 CA HIS A 84 19.691 7.837 -4.498 1.00 0.00 C ATOM 1160 C HIS A 84 20.725 7.758 -3.373 1.00 0.00 C ATOM 1161 O HIS A 84 20.856 8.669 -2.581 1.00 0.00 O ATOM 1162 CB HIS A 84 19.094 9.251 -4.536 1.00 0.00 C ATOM 1163 CG HIS A 84 17.596 9.185 -4.686 1.00 0.00 C ATOM 1164 ND1 HIS A 84 16.754 8.968 -3.608 1.00 0.00 N ATOM 1165 CD2 HIS A 84 16.780 9.307 -5.783 1.00 0.00 C ATOM 1166 CE1 HIS A 84 15.491 8.964 -4.075 1.00 0.00 C ATOM 1167 NE2 HIS A 84 15.450 9.166 -5.394 1.00 0.00 N ATOM 0 H HIS A 84 18.339 6.295 -5.087 1.00 0.00 H new ATOM 0 HA HIS A 84 20.169 7.623 -5.454 1.00 0.00 H new ATOM 0 HB2 HIS A 84 19.351 9.786 -3.622 1.00 0.00 H new ATOM 0 HB3 HIS A 84 19.525 9.812 -5.365 1.00 0.00 H new ATOM 0 HD1 HIS A 84 17.039 8.835 -2.638 1.00 0.00 H new ATOM 0 HD2 HIS A 84 17.118 9.485 -6.793 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.617 8.815 -3.458 1.00 0.00 H new ATOM 1258 N LYS A 91 14.297 12.300 1.616 1.00 0.00 N ATOM 1259 CA LYS A 91 12.976 12.772 1.121 1.00 0.00 C ATOM 1260 C LYS A 91 11.932 11.705 1.404 1.00 0.00 C ATOM 1261 O LYS A 91 11.088 11.837 2.268 1.00 0.00 O ATOM 1262 CB LYS A 91 13.055 13.024 -0.387 1.00 0.00 C ATOM 1263 CG LYS A 91 13.711 14.382 -0.647 1.00 0.00 C ATOM 1264 CD LYS A 91 14.858 14.213 -1.647 1.00 0.00 C ATOM 1265 CE LYS A 91 14.340 14.442 -3.068 1.00 0.00 C ATOM 1266 NZ LYS A 91 13.482 13.293 -3.474 1.00 0.00 N ATOM 0 HA LYS A 91 12.702 13.698 1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.630 12.233 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.056 13.002 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.975 15.084 -1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 91 14.087 14.801 0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.657 14.920 -1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.284 13.213 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.770 15.370 -3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.176 14.547 -3.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.352 13.304 -4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.939 12.402 -3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.556 13.370 -3.008 1.00 0.00 H new ATOM 1280 N TYR A 92 12.013 10.655 0.675 1.00 0.00 N ATOM 1281 CA TYR A 92 11.065 9.519 0.841 1.00 0.00 C ATOM 1282 C TYR A 92 9.643 9.971 0.502 1.00 0.00 C ATOM 1283 O TYR A 92 9.431 11.039 -0.037 1.00 0.00 O ATOM 1284 CB TYR A 92 11.118 9.021 2.283 1.00 0.00 C ATOM 1285 CG TYR A 92 12.375 8.166 2.483 1.00 0.00 C ATOM 1286 CD1 TYR A 92 13.493 8.323 1.634 1.00 0.00 C ATOM 1287 CD2 TYR A 92 12.434 7.215 3.518 1.00 0.00 C ATOM 1288 CE1 TYR A 92 14.637 7.539 1.824 1.00 0.00 C ATOM 1289 CE2 TYR A 92 13.583 6.435 3.699 1.00 0.00 C ATOM 1290 CZ TYR A 92 14.682 6.597 2.853 1.00 0.00 C ATOM 1291 OH TYR A 92 15.814 5.828 3.037 1.00 0.00 O ATOM 0 H TYR A 92 12.713 10.519 -0.055 1.00 0.00 H new ATOM 0 HA TYR A 92 11.349 8.711 0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.127 9.867 2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.227 8.435 2.510 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.465 9.050 0.836 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.588 7.086 4.177 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.489 7.664 1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.619 5.706 4.495 1.00 0.00 H new ATOM 0 HH TYR A 92 15.679 5.224 3.797 1.00 0.00 H new ATOM 1301 N THR A 93 8.664 9.161 0.809 1.00 0.00 N ATOM 1302 CA THR A 93 7.257 9.538 0.499 1.00 0.00 C ATOM 1303 C THR A 93 6.291 8.712 1.358 1.00 0.00 C ATOM 1304 O THR A 93 6.280 7.490 1.313 1.00 0.00 O ATOM 1305 CB THR A 93 6.971 9.275 -0.983 1.00 0.00 C ATOM 1306 OG1 THR A 93 7.859 10.047 -1.779 1.00 0.00 O ATOM 1307 CG2 THR A 93 5.526 9.662 -1.303 1.00 0.00 C ATOM 0 H THR A 93 8.780 8.254 1.261 1.00 0.00 H new ATOM 0 HA THR A 93 7.116 10.596 0.718 1.00 0.00 H new ATOM 0 HB THR A 93 7.116 8.217 -1.199 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.265 10.749 -1.229 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.324 9.474 -2.358 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.846 9.068 -0.692 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.376 10.720 -1.088 1.00 0.00 H new ATOM 1315 N THR A 94 5.475 9.372 2.136 1.00 0.00 N ATOM 1316 CA THR A 94 4.501 8.641 2.992 1.00 0.00 C ATOM 1317 C THR A 94 3.129 8.649 2.310 1.00 0.00 C ATOM 1318 O THR A 94 2.775 9.594 1.634 1.00 0.00 O ATOM 1319 CB THR A 94 4.418 9.322 4.365 1.00 0.00 C ATOM 1320 OG1 THR A 94 3.845 8.420 5.302 1.00 0.00 O ATOM 1321 CG2 THR A 94 3.552 10.581 4.275 1.00 0.00 C ATOM 0 H THR A 94 5.442 10.388 2.214 1.00 0.00 H new ATOM 0 HA THR A 94 4.825 7.609 3.130 1.00 0.00 H new ATOM 0 HB THR A 94 5.421 9.602 4.687 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.792 8.851 6.181 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.499 11.057 5.254 1.00 0.00 H new ATOM 0 HG22 THR A 94 3.991 11.274 3.558 1.00 0.00 H new ATOM 0 HG23 THR A 94 2.548 10.309 3.949 1.00 0.00 H new ATOM 1329 N CYS A 95 2.355 7.610 2.477 1.00 0.00 N ATOM 1330 CA CYS A 95 1.011 7.576 1.826 1.00 0.00 C ATOM 1331 C CYS A 95 0.179 6.496 2.514 1.00 0.00 C ATOM 1332 O CYS A 95 0.704 5.501 2.950 1.00 0.00 O ATOM 1333 CB CYS A 95 1.164 7.250 0.333 1.00 0.00 C ATOM 1334 SG CYS A 95 -0.447 7.350 -0.484 1.00 0.00 S ATOM 0 H CYS A 95 2.592 6.788 3.032 1.00 0.00 H new ATOM 0 HA CYS A 95 0.520 8.545 1.919 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.861 7.947 -0.131 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.583 6.251 0.210 1.00 0.00 H new ATOM 1339 N THR A 96 -1.104 6.682 2.637 1.00 0.00 N ATOM 1340 CA THR A 96 -1.932 5.649 3.327 1.00 0.00 C ATOM 1341 C THR A 96 -3.090 5.225 2.437 1.00 0.00 C ATOM 1342 O THR A 96 -3.911 6.031 2.065 1.00 0.00 O ATOM 1343 CB THR A 96 -2.504 6.253 4.607 1.00 0.00 C ATOM 1344 OG1 THR A 96 -1.444 6.773 5.398 1.00 0.00 O ATOM 1345 CG2 THR A 96 -3.256 5.178 5.392 1.00 0.00 C ATOM 0 H THR A 96 -1.614 7.496 2.294 1.00 0.00 H new ATOM 0 HA THR A 96 -1.309 4.783 3.551 1.00 0.00 H new ATOM 0 HB THR A 96 -3.194 7.058 4.353 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.810 7.163 6.219 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.663 5.612 6.305 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.070 4.785 4.783 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.572 4.369 5.649 1.00 0.00 H new ATOM 1353 N PHE A 97 -3.196 3.965 2.105 1.00 0.00 N ATOM 1354 CA PHE A 97 -4.348 3.575 1.244 1.00 0.00 C ATOM 1355 C PHE A 97 -5.399 2.803 2.037 1.00 0.00 C ATOM 1356 O PHE A 97 -5.171 2.350 3.138 1.00 0.00 O ATOM 1357 CB PHE A 97 -3.922 2.715 0.057 1.00 0.00 C ATOM 1358 CG PHE A 97 -2.498 2.247 0.161 1.00 0.00 C ATOM 1359 CD1 PHE A 97 -1.449 3.163 0.259 1.00 0.00 C ATOM 1360 CD2 PHE A 97 -2.235 0.876 0.116 1.00 0.00 C ATOM 1361 CE1 PHE A 97 -0.128 2.701 0.319 1.00 0.00 C ATOM 1362 CE2 PHE A 97 -0.921 0.413 0.167 1.00 0.00 C ATOM 1363 CZ PHE A 97 0.135 1.323 0.270 1.00 0.00 C ATOM 0 H PHE A 97 -2.561 3.215 2.380 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.769 4.510 0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.580 1.849 -0.014 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.046 3.286 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.655 4.223 0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.051 0.173 0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.687 3.404 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.719 -0.647 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.153 0.966 0.312 1.00 0.00 H new ATOM 1373 N VAL A 98 -6.557 2.645 1.451 1.00 0.00 N ATOM 1374 CA VAL A 98 -7.654 1.893 2.117 1.00 0.00 C ATOM 1375 C VAL A 98 -8.026 0.709 1.230 1.00 0.00 C ATOM 1376 O VAL A 98 -7.798 0.721 0.037 1.00 0.00 O ATOM 1377 CB VAL A 98 -8.865 2.809 2.295 1.00 0.00 C ATOM 1378 CG1 VAL A 98 -9.979 2.053 3.022 1.00 0.00 C ATOM 1379 CG2 VAL A 98 -8.457 4.036 3.115 1.00 0.00 C ATOM 0 H VAL A 98 -6.789 3.011 0.528 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.333 1.540 3.097 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.226 3.128 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.841 2.708 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.269 1.180 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.622 1.731 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.319 4.691 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.095 3.717 4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.666 4.575 2.594 1.00 0.00 H new ATOM 1389 N VAL A 99 -8.583 -0.322 1.795 1.00 0.00 N ATOM 1390 CA VAL A 99 -8.945 -1.505 0.966 1.00 0.00 C ATOM 1391 C VAL A 99 -10.301 -2.067 1.401 1.00 0.00 C ATOM 1392 O VAL A 99 -10.803 -1.764 2.463 1.00 0.00 O ATOM 1393 CB VAL A 99 -7.869 -2.581 1.130 1.00 0.00 C ATOM 1394 CG1 VAL A 99 -7.941 -3.559 -0.043 1.00 0.00 C ATOM 1395 CG2 VAL A 99 -6.490 -1.919 1.155 1.00 0.00 C ATOM 0 H VAL A 99 -8.803 -0.399 2.788 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.012 -1.201 -0.079 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.033 -3.120 2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.174 -4.325 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.924 -4.030 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.776 -3.021 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.722 -2.683 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.328 -1.381 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.437 -1.220 1.990 1.00 0.00 H new ATOM 1405 N TYR A 100 -10.893 -2.886 0.577 1.00 0.00 N ATOM 1406 CA TYR A 100 -12.213 -3.482 0.913 1.00 0.00 C ATOM 1407 C TYR A 100 -12.109 -5.000 0.750 1.00 0.00 C ATOM 1408 O TYR A 100 -11.586 -5.484 -0.235 1.00 0.00 O ATOM 1409 CB TYR A 100 -13.244 -2.925 -0.058 1.00 0.00 C ATOM 1410 CG TYR A 100 -14.600 -2.702 0.651 1.00 0.00 C ATOM 1411 CD1 TYR A 100 -14.903 -3.329 1.889 1.00 0.00 C ATOM 1412 CD2 TYR A 100 -15.573 -1.862 0.069 1.00 0.00 C ATOM 1413 CE1 TYR A 100 -16.140 -3.106 2.508 1.00 0.00 C ATOM 1414 CE2 TYR A 100 -16.803 -1.650 0.699 1.00 0.00 C ATOM 1415 CZ TYR A 100 -17.086 -2.270 1.913 1.00 0.00 C ATOM 1416 OH TYR A 100 -18.301 -2.056 2.527 1.00 0.00 O ATOM 0 H TYR A 100 -10.512 -3.170 -0.326 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.506 -3.245 1.936 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.887 -1.983 -0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.374 -3.614 -0.893 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.178 -3.980 2.355 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -15.365 -1.377 -0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -16.363 -3.584 3.451 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -17.537 -1.003 0.242 1.00 0.00 H new ATOM 0 HH TYR A 100 -18.424 -2.711 3.246 1.00 0.00 H new ATOM 1426 N SER A 101 -12.573 -5.762 1.697 1.00 0.00 N ATOM 1427 CA SER A 101 -12.456 -7.242 1.559 1.00 0.00 C ATOM 1428 C SER A 101 -13.648 -7.946 2.212 1.00 0.00 C ATOM 1429 O SER A 101 -13.879 -7.827 3.400 1.00 0.00 O ATOM 1430 CB SER A 101 -11.165 -7.702 2.238 1.00 0.00 C ATOM 1431 OG SER A 101 -11.444 -8.079 3.578 1.00 0.00 O ATOM 0 H SER A 101 -13.023 -5.433 2.551 1.00 0.00 H new ATOM 0 HA SER A 101 -12.442 -7.497 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.735 -8.543 1.694 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.427 -6.900 2.221 1.00 0.00 H new ATOM 0 HG SER A 101 -12.175 -7.528 3.928 1.00 0.00 H new ATOM 1437 N ILE A 102 -14.405 -8.690 1.443 1.00 0.00 N ATOM 1438 CA ILE A 102 -15.572 -9.413 2.029 1.00 0.00 C ATOM 1439 C ILE A 102 -15.999 -10.541 1.075 1.00 0.00 C ATOM 1440 O ILE A 102 -16.645 -10.280 0.079 1.00 0.00 O ATOM 1441 CB ILE A 102 -16.756 -8.459 2.206 1.00 0.00 C ATOM 1442 CG1 ILE A 102 -16.286 -7.004 2.101 1.00 0.00 C ATOM 1443 CG2 ILE A 102 -17.413 -8.702 3.580 1.00 0.00 C ATOM 1444 CD1 ILE A 102 -17.499 -6.082 1.970 1.00 0.00 C ATOM 0 H ILE A 102 -14.265 -8.826 0.442 1.00 0.00 H new ATOM 0 HA ILE A 102 -15.281 -9.817 2.999 1.00 0.00 H new ATOM 0 HB ILE A 102 -17.485 -8.647 1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -15.705 -6.734 2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -15.630 -6.884 1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -18.256 -8.022 3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -17.765 -9.732 3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -16.683 -8.524 4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -17.163 -5.048 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -18.062 -6.346 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -18.137 -6.194 2.846 1.00 0.00 H new ATOM 1456 N PRO A 103 -15.642 -11.763 1.399 1.00 0.00 N ATOM 1457 CA PRO A 103 -15.998 -12.954 0.571 1.00 0.00 C ATOM 1458 C PRO A 103 -17.398 -13.456 0.958 1.00 0.00 C ATOM 1459 O PRO A 103 -17.946 -14.345 0.335 1.00 0.00 O ATOM 1460 CB PRO A 103 -14.927 -13.966 0.959 1.00 0.00 C ATOM 1461 CG PRO A 103 -14.411 -13.578 2.342 1.00 0.00 C ATOM 1462 CD PRO A 103 -14.849 -12.134 2.618 1.00 0.00 C ATOM 0 HA PRO A 103 -16.029 -12.759 -0.501 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -15.339 -14.975 0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -14.115 -13.963 0.232 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -14.811 -14.250 3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -13.325 -13.662 2.382 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -15.451 -12.065 3.524 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -13.992 -11.475 2.754 1.00 0.00 H new ATOM 1470 N TRP A 104 -17.957 -12.916 2.014 1.00 0.00 N ATOM 1471 CA TRP A 104 -19.316 -13.395 2.483 1.00 0.00 C ATOM 1472 C TRP A 104 -20.487 -12.900 1.624 1.00 0.00 C ATOM 1473 O TRP A 104 -21.590 -13.385 1.771 1.00 0.00 O ATOM 1474 CB TRP A 104 -19.562 -13.013 3.953 1.00 0.00 C ATOM 1475 CG TRP A 104 -20.290 -11.694 4.138 1.00 0.00 C ATOM 1476 CD1 TRP A 104 -21.176 -11.498 5.139 1.00 0.00 C ATOM 1477 CD2 TRP A 104 -20.237 -10.404 3.404 1.00 0.00 C ATOM 1478 NE1 TRP A 104 -21.637 -10.207 5.098 1.00 0.00 N ATOM 1479 CE2 TRP A 104 -21.099 -9.494 4.065 1.00 0.00 C ATOM 1480 CE3 TRP A 104 -19.551 -9.916 2.271 1.00 0.00 C ATOM 1481 CZ2 TRP A 104 -21.267 -8.177 3.640 1.00 0.00 C ATOM 1482 CZ3 TRP A 104 -19.726 -8.577 1.841 1.00 0.00 C ATOM 1483 CH2 TRP A 104 -20.579 -7.714 2.532 1.00 0.00 C ATOM 0 H TRP A 104 -17.543 -12.170 2.574 1.00 0.00 H new ATOM 0 HA TRP A 104 -19.284 -14.479 2.378 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -20.139 -13.804 4.431 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -18.603 -12.962 4.469 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -21.475 -12.244 5.861 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -22.307 -9.822 5.764 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -18.886 -10.570 1.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -21.934 -7.518 4.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -19.195 -8.221 0.971 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -20.701 -6.692 2.204 1.00 0.00 H new ATOM 1494 N LEU A 105 -20.302 -11.964 0.745 1.00 0.00 N ATOM 1495 CA LEU A 105 -21.445 -11.515 -0.059 1.00 0.00 C ATOM 1496 C LEU A 105 -20.938 -10.981 -1.409 1.00 0.00 C ATOM 1497 O LEU A 105 -21.610 -10.212 -2.062 1.00 0.00 O ATOM 1498 CB LEU A 105 -22.186 -10.409 0.695 1.00 0.00 C ATOM 1499 CG LEU A 105 -22.895 -10.973 1.947 1.00 0.00 C ATOM 1500 CD1 LEU A 105 -23.546 -9.828 2.713 1.00 0.00 C ATOM 1501 CD2 LEU A 105 -23.966 -11.977 1.520 1.00 0.00 C ATOM 0 H LEU A 105 -19.415 -11.498 0.554 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.125 -12.348 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -21.482 -9.631 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -22.919 -9.943 0.036 1.00 0.00 H new ATOM 0 HG LEU A 105 -22.167 -11.473 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -24.048 -10.221 3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -22.782 -9.113 3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.275 -9.330 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -24.465 -12.374 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -24.697 -11.480 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -23.500 -12.794 0.969 1.00 0.00 H new ATOM 1513 N ASN A 106 -19.749 -11.375 -1.822 1.00 0.00 N ATOM 1514 CA ASN A 106 -19.191 -10.885 -3.122 1.00 0.00 C ATOM 1515 C ASN A 106 -18.713 -9.446 -2.951 1.00 0.00 C ATOM 1516 O ASN A 106 -19.340 -8.520 -3.428 1.00 0.00 O ATOM 1517 CB ASN A 106 -20.251 -10.930 -4.240 1.00 0.00 C ATOM 1518 CG ASN A 106 -19.606 -10.496 -5.559 1.00 0.00 C ATOM 1519 OD1 ASN A 106 -18.754 -9.631 -5.576 1.00 0.00 O ATOM 1520 ND2 ASN A 106 -19.982 -11.065 -6.672 1.00 0.00 N ATOM 0 H ASN A 106 -19.144 -12.016 -1.310 1.00 0.00 H new ATOM 0 HA ASN A 106 -18.363 -11.535 -3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -20.657 -11.937 -4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -21.085 -10.272 -3.995 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -19.560 -10.783 -7.557 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -20.698 -11.792 -6.657 1.00 0.00 H new ATOM 1527 N GLN A 107 -17.603 -9.235 -2.291 1.00 0.00 N ATOM 1528 CA GLN A 107 -17.120 -7.825 -2.133 1.00 0.00 C ATOM 1529 C GLN A 107 -15.613 -7.759 -1.957 1.00 0.00 C ATOM 1530 O GLN A 107 -14.963 -8.666 -1.470 1.00 0.00 O ATOM 1531 CB GLN A 107 -17.801 -7.126 -0.959 1.00 0.00 C ATOM 1532 CG GLN A 107 -18.113 -5.679 -1.344 1.00 0.00 C ATOM 1533 CD GLN A 107 -19.105 -5.661 -2.510 1.00 0.00 C ATOM 1534 OE1 GLN A 107 -18.824 -5.104 -3.551 1.00 0.00 O ATOM 1535 NE2 GLN A 107 -20.263 -6.249 -2.377 1.00 0.00 N ATOM 0 H GLN A 107 -17.021 -9.956 -1.864 1.00 0.00 H new ATOM 0 HA GLN A 107 -17.385 -7.306 -3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -18.719 -7.649 -0.692 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -17.154 -7.150 -0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -18.531 -5.147 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -17.196 -5.161 -1.625 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -20.500 -6.717 -1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -20.931 -6.240 -3.148 1.00 0.00 H new ATOM 1544 N ILE A 108 -15.082 -6.656 -2.374 1.00 0.00 N ATOM 1545 CA ILE A 108 -13.620 -6.408 -2.301 1.00 0.00 C ATOM 1546 C ILE A 108 -13.333 -5.185 -3.187 1.00 0.00 C ATOM 1547 O ILE A 108 -13.900 -5.051 -4.254 1.00 0.00 O ATOM 1548 CB ILE A 108 -12.875 -7.663 -2.811 1.00 0.00 C ATOM 1549 CG1 ILE A 108 -11.913 -8.157 -1.724 1.00 0.00 C ATOM 1550 CG2 ILE A 108 -12.090 -7.359 -4.093 1.00 0.00 C ATOM 1551 CD1 ILE A 108 -10.925 -9.161 -2.323 1.00 0.00 C ATOM 0 H ILE A 108 -15.617 -5.887 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.283 -6.213 -1.283 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.612 -8.434 -3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.373 -7.314 -1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -12.474 -8.624 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.577 -8.260 -4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.777 -7.023 -4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.357 -6.577 -3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.244 -9.509 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.472 -10.010 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.354 -8.680 -3.117 1.00 0.00 H new ATOM 1563 N LYS A 109 -12.485 -4.285 -2.773 1.00 0.00 N ATOM 1564 CA LYS A 109 -12.233 -3.098 -3.638 1.00 0.00 C ATOM 1565 C LYS A 109 -10.953 -2.367 -3.229 1.00 0.00 C ATOM 1566 O LYS A 109 -10.264 -2.744 -2.301 1.00 0.00 O ATOM 1567 CB LYS A 109 -13.409 -2.128 -3.521 1.00 0.00 C ATOM 1568 CG LYS A 109 -14.078 -1.973 -4.887 1.00 0.00 C ATOM 1569 CD LYS A 109 -14.972 -0.731 -4.877 1.00 0.00 C ATOM 1570 CE LYS A 109 -14.284 0.401 -5.643 1.00 0.00 C ATOM 1571 NZ LYS A 109 -14.089 1.568 -4.736 1.00 0.00 N ATOM 0 H LYS A 109 -11.967 -4.316 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.120 -3.448 -4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.129 -2.499 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.061 -1.159 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.322 -1.884 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.670 -2.859 -5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.935 -0.960 -5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.171 -0.421 -3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.323 0.062 -6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.887 0.692 -6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.621 2.338 -5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.013 1.896 -4.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.496 1.286 -3.929 1.00 0.00 H new ATOM 1585 N LEU A 110 -10.656 -1.305 -3.926 1.00 0.00 N ATOM 1586 CA LEU A 110 -9.457 -0.493 -3.627 1.00 0.00 C ATOM 1587 C LEU A 110 -9.893 0.974 -3.607 1.00 0.00 C ATOM 1588 O LEU A 110 -9.761 1.689 -4.580 1.00 0.00 O ATOM 1589 CB LEU A 110 -8.414 -0.701 -4.725 1.00 0.00 C ATOM 1590 CG LEU A 110 -7.186 0.183 -4.468 1.00 0.00 C ATOM 1591 CD1 LEU A 110 -6.854 0.200 -2.971 1.00 0.00 C ATOM 1592 CD2 LEU A 110 -5.990 -0.374 -5.241 1.00 0.00 C ATOM 0 H LEU A 110 -11.213 -0.963 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.021 -0.781 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.116 -1.749 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.846 -0.461 -5.697 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.403 1.198 -4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.981 0.830 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.703 0.597 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.641 -0.815 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.116 0.252 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.783 -1.391 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.217 -0.381 -6.307 1.00 0.00 H new ATOM 1604 N LEU A 111 -10.440 1.407 -2.511 1.00 0.00 N ATOM 1605 CA LEU A 111 -10.929 2.804 -2.395 1.00 0.00 C ATOM 1606 C LEU A 111 -9.947 3.755 -3.073 1.00 0.00 C ATOM 1607 O LEU A 111 -10.232 4.313 -4.114 1.00 0.00 O ATOM 1608 CB LEU A 111 -11.063 3.143 -0.914 1.00 0.00 C ATOM 1609 CG LEU A 111 -12.326 3.976 -0.689 1.00 0.00 C ATOM 1610 CD1 LEU A 111 -13.559 3.108 -0.948 1.00 0.00 C ATOM 1611 CD2 LEU A 111 -12.355 4.478 0.756 1.00 0.00 C ATOM 0 H LEU A 111 -10.571 0.840 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 111 -11.897 2.908 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.109 2.228 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.186 3.696 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 111 -12.327 4.827 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.460 3.700 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -13.540 2.746 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.556 2.259 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -13.255 5.072 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -12.355 3.627 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.476 5.094 0.945 1.00 0.00 H new ATOM 1623 N GLU A 112 -8.785 3.923 -2.509 1.00 0.00 N ATOM 1624 CA GLU A 112 -7.772 4.830 -3.151 1.00 0.00 C ATOM 1625 C GLU A 112 -6.662 5.172 -2.159 1.00 0.00 C ATOM 1626 O GLU A 112 -6.776 4.935 -0.973 1.00 0.00 O ATOM 1627 CB GLU A 112 -8.419 6.132 -3.658 1.00 0.00 C ATOM 1628 CG GLU A 112 -8.154 6.266 -5.159 1.00 0.00 C ATOM 1629 CD GLU A 112 -7.377 7.557 -5.427 1.00 0.00 C ATOM 1630 OE1 GLU A 112 -7.773 8.583 -4.901 1.00 0.00 O ATOM 1631 OE2 GLU A 112 -6.400 7.496 -6.154 1.00 0.00 O ATOM 0 H GLU A 112 -8.487 3.480 -1.640 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.353 4.297 -4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.492 6.120 -3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.008 6.989 -3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.587 5.407 -5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -9.097 6.276 -5.706 1.00 0.00 H new ATOM 1638 N SER A 113 -5.581 5.729 -2.640 1.00 0.00 N ATOM 1639 CA SER A 113 -4.453 6.088 -1.736 1.00 0.00 C ATOM 1640 C SER A 113 -4.782 7.383 -0.988 1.00 0.00 C ATOM 1641 O SER A 113 -5.650 8.136 -1.383 1.00 0.00 O ATOM 1642 CB SER A 113 -3.177 6.289 -2.560 1.00 0.00 C ATOM 1643 OG SER A 113 -3.149 7.611 -3.076 1.00 0.00 O ATOM 0 H SER A 113 -5.432 5.951 -3.624 1.00 0.00 H new ATOM 0 HA SER A 113 -4.300 5.283 -1.018 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.299 6.111 -1.939 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.142 5.568 -3.377 1.00 0.00 H new ATOM 0 HG SER A 113 -2.430 8.116 -2.642 1.00 0.00 H new ATOM 1649 N LYS A 114 -4.092 7.645 0.089 1.00 0.00 N ATOM 1650 CA LYS A 114 -4.348 8.885 0.870 1.00 0.00 C ATOM 1651 C LYS A 114 -3.008 9.424 1.387 1.00 0.00 C ATOM 1652 O LYS A 114 -2.656 9.227 2.533 1.00 0.00 O ATOM 1653 CB LYS A 114 -5.257 8.559 2.058 1.00 0.00 C ATOM 1654 CG LYS A 114 -5.732 9.861 2.705 1.00 0.00 C ATOM 1655 CD LYS A 114 -7.027 10.322 2.030 1.00 0.00 C ATOM 1656 CE LYS A 114 -7.436 11.687 2.588 1.00 0.00 C ATOM 1657 NZ LYS A 114 -6.823 12.768 1.765 1.00 0.00 N ATOM 0 H LYS A 114 -3.356 7.046 0.463 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.833 9.630 0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.113 7.972 1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.719 7.953 2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -5.899 9.710 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.965 10.629 2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.884 10.386 0.951 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.819 9.594 2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.522 11.783 2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.114 11.779 3.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.102 13.695 2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.787 12.680 1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.152 12.684 0.782 1.00 0.00 H new ATOM 1671 N CYS A 115 -2.244 10.082 0.551 1.00 0.00 N ATOM 1672 CA CYS A 115 -0.919 10.608 1.014 1.00 0.00 C ATOM 1673 C CYS A 115 -0.984 12.128 1.157 1.00 0.00 C ATOM 1674 O CYS A 115 -1.773 12.792 0.516 1.00 0.00 O ATOM 1675 CB CYS A 115 0.206 10.242 0.021 1.00 0.00 C ATOM 1676 SG CYS A 115 -0.432 9.191 -1.312 1.00 0.00 S ATOM 0 H CYS A 115 -2.475 10.277 -0.423 1.00 0.00 H new ATOM 0 HA CYS A 115 -0.696 10.151 1.978 1.00 0.00 H new ATOM 0 HB2 CYS A 115 0.636 11.151 -0.400 1.00 0.00 H new ATOM 0 HB3 CYS A 115 1.008 9.724 0.547 1.00 0.00 H new ATOM 1681 N GLN A 116 -0.156 12.684 2.001 1.00 0.00 N ATOM 1682 CA GLN A 116 -0.167 14.164 2.192 1.00 0.00 C ATOM 1683 C GLN A 116 -1.536 14.593 2.727 1.00 0.00 C ATOM 1684 CB GLN A 116 0.100 14.863 0.852 1.00 0.00 C ATOM 1685 CG GLN A 116 -0.260 16.346 0.963 1.00 0.00 C ATOM 1686 CD GLN A 116 0.138 17.065 -0.328 1.00 0.00 C ATOM 1687 OE1 GLN A 116 -0.049 16.544 -1.409 1.00 0.00 O ATOM 1688 NE2 GLN A 116 0.684 18.249 -0.258 1.00 0.00 N ATOM 0 H GLN A 116 0.527 12.178 2.566 1.00 0.00 H new ATOM 0 HA GLN A 116 0.611 14.443 2.903 1.00 0.00 H new ATOM 0 HB2 GLN A 116 1.149 14.753 0.576 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -0.488 14.394 0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -1.329 16.459 1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.253 16.793 1.814 1.00 0.00 H new ATOM 0 HE21 GLN A 116 0.841 18.686 0.650 1.00 0.00 H new ATOM 0 HE22 GLN A 116 0.954 18.737 -1.112 1.00 0.00 H new