USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 733 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 6 SER OG : rot -177:sc= 0.185 USER MOD Set 1.2: A 83 LYS NZ :NH3+ 140:sc= 0.134 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0553 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.127 K(o=-0.13,f=-0.7) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -2.02 USER MOD Single : A 37 THR OG1 : rot 51:sc= 0.968 USER MOD Single : A 40 SER OG : rot 159:sc= -0.646 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.19) USER MOD Single : A 48 CYS SG : rot 180:sc= -1.56 USER MOD Single : A 61 THR OG1 : rot 69:sc= 0.666 USER MOD Single : A 63 SER OG : rot -52:sc= 0.131 USER MOD Single : A 64 MET CE :methyl -100:sc= -4.12! (180deg=-5.1!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -5.08! C(o=-5.1!,f=-7.3!) USER MOD Single : A 70 GLN : amide:sc= -0.858 K(o=-0.86,f=-2.1!) USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= -0.0795 (180deg=-0.449) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -1.14 K(o=-1.1,f=-1.7) USER MOD Single : A 81 CYS SG : rot 180:sc= -1.15 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 84:sc= 0.423 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot -169:sc= 0.0236 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 28:sc= 0.351 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.063 3.013 -4.539 1.00 0.00 N ATOM 2 CA GLY A 1 -22.877 2.789 -3.358 1.00 0.00 C ATOM 3 C GLY A 1 -23.775 3.968 -3.041 1.00 0.00 C ATOM 4 O GLY A 1 -24.084 4.775 -3.917 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.138 2.192 -5.173 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.397 3.864 -5.034 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.070 3.143 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.489 1.899 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.228 2.591 -2.505 1.00 0.00 H new ATOM 8 N SER A 2 -24.198 4.067 -1.785 1.00 0.00 N ATOM 9 CA SER A 2 -25.071 5.153 -1.355 1.00 0.00 C ATOM 10 C SER A 2 -24.355 6.067 -0.365 1.00 0.00 C ATOM 11 O SER A 2 -24.317 7.284 -0.542 1.00 0.00 O ATOM 12 CB SER A 2 -26.344 4.592 -0.720 1.00 0.00 C ATOM 13 OG SER A 2 -27.243 5.631 -0.373 1.00 0.00 O ATOM 0 H SER A 2 -23.950 3.408 -1.047 1.00 0.00 H new ATOM 0 HA SER A 2 -25.340 5.739 -2.234 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.828 3.905 -1.414 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.087 4.017 0.170 1.00 0.00 H new ATOM 0 HG SER A 2 -28.049 5.245 0.029 1.00 0.00 H new ATOM 19 N SER A 3 -23.789 5.469 0.679 1.00 0.00 N ATOM 20 CA SER A 3 -23.078 6.228 1.701 1.00 0.00 C ATOM 21 C SER A 3 -21.998 7.105 1.073 1.00 0.00 C ATOM 22 O SER A 3 -21.885 8.289 1.385 1.00 0.00 O ATOM 23 CB SER A 3 -22.450 5.281 2.725 1.00 0.00 C ATOM 24 OG SER A 3 -23.430 4.758 3.605 1.00 0.00 O ATOM 0 H SER A 3 -23.809 4.462 0.839 1.00 0.00 H new ATOM 0 HA SER A 3 -23.797 6.873 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.947 4.463 2.208 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.689 5.812 3.297 1.00 0.00 H new ATOM 0 HG SER A 3 -23.003 4.155 4.248 1.00 0.00 H new ATOM 30 N GLY A 4 -21.205 6.512 0.186 1.00 0.00 N ATOM 31 CA GLY A 4 -20.144 7.253 -0.472 1.00 0.00 C ATOM 32 C GLY A 4 -19.502 6.468 -1.599 1.00 0.00 C ATOM 33 O GLY A 4 -19.930 5.357 -1.913 1.00 0.00 O ATOM 0 H GLY A 4 -21.278 5.532 -0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.547 8.186 -0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.383 7.520 0.261 1.00 0.00 H new ATOM 37 N SER A 5 -18.473 7.047 -2.210 1.00 0.00 N ATOM 38 CA SER A 5 -17.774 6.396 -3.312 1.00 0.00 C ATOM 39 C SER A 5 -16.600 5.570 -2.798 1.00 0.00 C ATOM 40 O SER A 5 -15.440 5.953 -2.956 1.00 0.00 O ATOM 41 CB SER A 5 -17.278 7.439 -4.315 1.00 0.00 C ATOM 42 OG SER A 5 -18.319 7.842 -5.189 1.00 0.00 O ATOM 0 H SER A 5 -18.105 7.965 -1.961 1.00 0.00 H new ATOM 0 HA SER A 5 -18.475 5.727 -3.811 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.891 8.307 -3.781 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.452 7.027 -4.894 1.00 0.00 H new ATOM 0 HG SER A 5 -17.977 8.510 -5.819 1.00 0.00 H new ATOM 48 N SER A 6 -16.909 4.433 -2.182 1.00 0.00 N ATOM 49 CA SER A 6 -15.880 3.553 -1.640 1.00 0.00 C ATOM 50 C SER A 6 -15.389 2.574 -2.703 1.00 0.00 C ATOM 51 O SER A 6 -16.011 1.541 -2.946 1.00 0.00 O ATOM 52 CB SER A 6 -16.420 2.784 -0.433 1.00 0.00 C ATOM 53 OG SER A 6 -15.536 1.744 -0.053 1.00 0.00 O ATOM 0 H SER A 6 -17.863 4.100 -2.046 1.00 0.00 H new ATOM 0 HA SER A 6 -15.040 4.170 -1.322 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.563 3.468 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.397 2.365 -0.672 1.00 0.00 H new ATOM 0 HG SER A 6 -15.926 1.239 0.691 1.00 0.00 H new ATOM 59 N GLY A 7 -14.266 2.908 -3.332 1.00 0.00 N ATOM 60 CA GLY A 7 -13.709 2.049 -4.361 1.00 0.00 C ATOM 61 C GLY A 7 -12.800 0.978 -3.793 1.00 0.00 C ATOM 62 O GLY A 7 -11.631 1.235 -3.508 1.00 0.00 O ATOM 0 H GLY A 7 -13.732 3.757 -3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.521 1.576 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.150 2.656 -5.073 1.00 0.00 H new ATOM 66 N ASN A 8 -13.338 -0.225 -3.626 1.00 0.00 N ATOM 67 CA ASN A 8 -12.567 -1.339 -3.085 1.00 0.00 C ATOM 68 C ASN A 8 -11.586 -1.876 -4.122 1.00 0.00 C ATOM 69 O ASN A 8 -11.911 -1.979 -5.305 1.00 0.00 O ATOM 70 CB ASN A 8 -13.503 -2.458 -2.624 1.00 0.00 C ATOM 71 CG ASN A 8 -14.461 -2.896 -3.715 1.00 0.00 C ATOM 72 OD1 ASN A 8 -15.542 -2.328 -3.872 1.00 0.00 O ATOM 73 ND2 ASN A 8 -14.068 -3.911 -4.476 1.00 0.00 N ATOM 0 H ASN A 8 -14.305 -0.454 -3.857 1.00 0.00 H new ATOM 0 HA ASN A 8 -11.999 -0.974 -2.229 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.910 -3.313 -2.300 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.072 -2.118 -1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.671 -4.249 -5.226 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -13.163 -4.352 -4.310 1.00 0.00 H new ATOM 80 N VAL A 9 -10.383 -2.217 -3.671 1.00 0.00 N ATOM 81 CA VAL A 9 -9.354 -2.745 -4.559 1.00 0.00 C ATOM 82 C VAL A 9 -8.469 -3.754 -3.836 1.00 0.00 C ATOM 83 O VAL A 9 -7.621 -3.383 -3.024 1.00 0.00 O ATOM 84 CB VAL A 9 -8.471 -1.619 -5.127 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.340 -2.197 -5.963 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.308 -0.648 -5.946 1.00 0.00 C ATOM 0 H VAL A 9 -10.097 -2.137 -2.695 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.870 -3.242 -5.381 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.031 -1.071 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.727 -1.386 -6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.725 -2.849 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.756 -2.771 -6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.668 0.141 -6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.778 -1.181 -6.773 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.079 -0.208 -5.313 1.00 0.00 H new ATOM 96 N VAL A 10 -8.672 -5.033 -4.136 1.00 0.00 N ATOM 97 CA VAL A 10 -7.891 -6.097 -3.516 1.00 0.00 C ATOM 98 C VAL A 10 -6.943 -6.741 -4.522 1.00 0.00 C ATOM 99 O VAL A 10 -7.357 -7.553 -5.350 1.00 0.00 O ATOM 100 CB VAL A 10 -8.802 -7.185 -2.917 1.00 0.00 C ATOM 101 CG1 VAL A 10 -8.018 -8.070 -1.959 1.00 0.00 C ATOM 102 CG2 VAL A 10 -9.996 -6.554 -2.217 1.00 0.00 C ATOM 0 H VAL A 10 -9.371 -5.357 -4.805 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.310 -5.638 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.175 -7.810 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.678 -8.833 -1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.199 -8.550 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.615 -7.462 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.629 -7.337 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.646 -5.905 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.570 -5.967 -2.934 1.00 0.00 H new ATOM 112 N LEU A 11 -5.669 -6.373 -4.444 1.00 0.00 N ATOM 113 CA LEU A 11 -4.660 -6.915 -5.348 1.00 0.00 C ATOM 114 C LEU A 11 -4.066 -8.204 -4.790 1.00 0.00 C ATOM 115 O LEU A 11 -3.800 -8.328 -3.594 1.00 0.00 O ATOM 116 CB LEU A 11 -3.551 -5.887 -5.580 1.00 0.00 C ATOM 117 CG LEU A 11 -4.005 -4.439 -5.764 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.809 -3.501 -5.769 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.807 -4.291 -7.050 1.00 0.00 C ATOM 0 H LEU A 11 -5.310 -5.702 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.142 -7.141 -6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.864 -5.927 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.986 -6.185 -6.464 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.647 -4.170 -4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.152 -2.475 -5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.276 -3.586 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.140 -3.768 -6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.122 -3.254 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.188 -4.579 -7.900 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.686 -4.935 -7.007 1.00 0.00 H new ATOM 131 N PRO A 12 -3.850 -9.188 -5.676 1.00 0.00 N ATOM 132 CA PRO A 12 -3.282 -10.485 -5.296 1.00 0.00 C ATOM 133 C PRO A 12 -1.812 -10.381 -4.904 1.00 0.00 C ATOM 134 O PRO A 12 -0.989 -9.880 -5.669 1.00 0.00 O ATOM 135 CB PRO A 12 -3.439 -11.327 -6.564 1.00 0.00 C ATOM 136 CG PRO A 12 -3.473 -10.335 -7.675 1.00 0.00 C ATOM 137 CD PRO A 12 -4.142 -9.110 -7.117 1.00 0.00 C ATOM 0 HA PRO A 12 -3.780 -10.908 -4.423 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.610 -12.025 -6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.353 -11.920 -6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.466 -10.105 -8.024 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.025 -10.726 -8.530 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.742 -8.197 -7.559 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.215 -9.115 -7.310 1.00 0.00 H new ATOM 145 N GLY A 13 -1.488 -10.859 -3.706 1.00 0.00 N ATOM 146 CA GLY A 13 -0.116 -10.811 -3.234 1.00 0.00 C ATOM 147 C GLY A 13 0.475 -12.192 -3.029 1.00 0.00 C ATOM 148 O GLY A 13 -0.035 -13.191 -3.536 1.00 0.00 O ATOM 0 H GLY A 13 -2.151 -11.278 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.493 -10.261 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.077 -10.259 -2.295 1.00 0.00 H new ATOM 152 N PRO A 14 1.579 -12.260 -2.270 1.00 0.00 N ATOM 153 CA PRO A 14 2.196 -11.077 -1.661 1.00 0.00 C ATOM 154 C PRO A 14 2.845 -10.165 -2.696 1.00 0.00 C ATOM 155 O PRO A 14 2.676 -10.357 -3.900 1.00 0.00 O ATOM 156 CB PRO A 14 3.256 -11.670 -0.730 1.00 0.00 C ATOM 157 CG PRO A 14 3.584 -12.996 -1.324 1.00 0.00 C ATOM 158 CD PRO A 14 2.310 -13.497 -1.947 1.00 0.00 C ATOM 0 HA PRO A 14 1.463 -10.451 -1.151 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.138 -11.031 -0.677 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.876 -11.775 0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.374 -12.905 -2.070 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.944 -13.687 -0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.506 -14.093 -2.839 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.747 -14.128 -1.259 1.00 0.00 H new ATOM 166 N ALA A 15 3.589 -9.172 -2.219 1.00 0.00 N ATOM 167 CA ALA A 15 4.265 -8.232 -3.104 1.00 0.00 C ATOM 168 C ALA A 15 5.367 -8.923 -3.900 1.00 0.00 C ATOM 169 O ALA A 15 5.764 -10.051 -3.607 1.00 0.00 O ATOM 170 CB ALA A 15 4.839 -7.073 -2.302 1.00 0.00 C ATOM 0 H ALA A 15 3.739 -8.998 -1.225 1.00 0.00 H new ATOM 0 HA ALA A 15 3.531 -7.844 -3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.341 -6.378 -2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.033 -6.556 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.555 -7.454 -1.574 1.00 0.00 H new ATOM 176 N PRO A 16 5.873 -8.233 -4.933 1.00 0.00 N ATOM 177 CA PRO A 16 5.408 -6.890 -5.292 1.00 0.00 C ATOM 178 C PRO A 16 3.995 -6.899 -5.864 1.00 0.00 C ATOM 179 O PRO A 16 3.468 -7.952 -6.223 1.00 0.00 O ATOM 180 CB PRO A 16 6.413 -6.439 -6.355 1.00 0.00 C ATOM 181 CG PRO A 16 6.932 -7.704 -6.947 1.00 0.00 C ATOM 182 CD PRO A 16 6.938 -8.711 -5.830 1.00 0.00 C ATOM 0 HA PRO A 16 5.359 -6.231 -4.425 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.936 -5.815 -7.111 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.217 -5.849 -5.915 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.300 -8.038 -7.770 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.934 -7.563 -7.351 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.734 -9.717 -6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.903 -8.745 -5.325 1.00 0.00 H new ATOM 190 N TRP A 17 3.388 -5.721 -5.947 1.00 0.00 N ATOM 191 CA TRP A 17 2.035 -5.595 -6.477 1.00 0.00 C ATOM 192 C TRP A 17 2.059 -5.100 -7.919 1.00 0.00 C ATOM 193 O TRP A 17 1.418 -5.678 -8.795 1.00 0.00 O ATOM 194 CB TRP A 17 1.213 -4.639 -5.611 1.00 0.00 C ATOM 195 CG TRP A 17 1.287 -4.952 -4.147 1.00 0.00 C ATOM 196 CD1 TRP A 17 2.058 -4.321 -3.212 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.566 -5.974 -3.451 1.00 0.00 C ATOM 198 NE1 TRP A 17 1.858 -4.889 -1.977 1.00 0.00 N ATOM 199 CE2 TRP A 17 0.947 -5.905 -2.097 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.367 -6.940 -3.839 1.00 0.00 C ATOM 201 CZ2 TRP A 17 0.428 -6.765 -1.133 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -0.881 -7.793 -2.882 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.483 -7.701 -1.541 1.00 0.00 C ATOM 0 H TRP A 17 3.811 -4.840 -5.654 1.00 0.00 H new ATOM 0 HA TRP A 17 1.571 -6.581 -6.459 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.562 -3.620 -5.776 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.172 -4.675 -5.931 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.726 -3.497 -3.414 1.00 0.00 H new ATOM 0 HE1 TRP A 17 2.314 -4.601 -1.111 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.681 -7.018 -4.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 0.734 -6.696 -0.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.602 -8.543 -3.172 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.904 -8.382 -0.816 1.00 0.00 H new ATOM 214 N GLY A 18 2.804 -4.024 -8.159 1.00 0.00 N ATOM 215 CA GLY A 18 2.897 -3.470 -9.497 1.00 0.00 C ATOM 216 C GLY A 18 2.444 -2.025 -9.559 1.00 0.00 C ATOM 217 O GLY A 18 2.549 -1.378 -10.601 1.00 0.00 O ATOM 0 H GLY A 18 3.344 -3.527 -7.451 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.928 -3.540 -9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.290 -4.067 -10.177 1.00 0.00 H new ATOM 221 N PHE A 19 1.937 -1.517 -8.440 1.00 0.00 N ATOM 222 CA PHE A 19 1.464 -0.139 -8.372 1.00 0.00 C ATOM 223 C PHE A 19 2.464 0.743 -7.631 1.00 0.00 C ATOM 224 O PHE A 19 3.201 0.272 -6.765 1.00 0.00 O ATOM 225 CB PHE A 19 0.101 -0.080 -7.678 1.00 0.00 C ATOM 226 CG PHE A 19 0.192 -0.073 -6.179 1.00 0.00 C ATOM 227 CD1 PHE A 19 0.232 -1.262 -5.468 1.00 0.00 C ATOM 228 CD2 PHE A 19 0.238 1.122 -5.480 1.00 0.00 C ATOM 229 CE1 PHE A 19 0.315 -1.258 -4.089 1.00 0.00 C ATOM 230 CE2 PHE A 19 0.321 1.132 -4.100 1.00 0.00 C ATOM 231 CZ PHE A 19 0.361 -0.060 -3.404 1.00 0.00 C ATOM 0 H PHE A 19 1.843 -2.039 -7.569 1.00 0.00 H new ATOM 0 HA PHE A 19 1.362 0.235 -9.391 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.427 0.816 -8.006 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.496 -0.935 -7.994 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.198 -2.202 -5.998 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.209 2.057 -6.020 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.344 -2.192 -3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.355 2.071 -3.567 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.428 -0.055 -2.326 1.00 0.00 H new ATOM 241 N ARG A 20 2.482 2.026 -7.978 1.00 0.00 N ATOM 242 CA ARG A 20 3.392 2.975 -7.347 1.00 0.00 C ATOM 243 C ARG A 20 2.637 3.912 -6.410 1.00 0.00 C ATOM 244 O ARG A 20 1.408 3.871 -6.331 1.00 0.00 O ATOM 245 CB ARG A 20 4.133 3.788 -8.411 1.00 0.00 C ATOM 246 CG ARG A 20 4.619 2.954 -9.585 1.00 0.00 C ATOM 247 CD ARG A 20 5.649 1.924 -9.148 1.00 0.00 C ATOM 248 NE ARG A 20 6.919 2.543 -8.778 1.00 0.00 N ATOM 249 CZ ARG A 20 7.915 1.884 -8.195 1.00 0.00 C ATOM 250 NH1 ARG A 20 7.788 0.594 -7.918 1.00 0.00 N ATOM 251 NH2 ARG A 20 9.040 2.517 -7.888 1.00 0.00 N ATOM 0 H ARG A 20 1.877 2.432 -8.692 1.00 0.00 H new ATOM 0 HA ARG A 20 4.117 2.410 -6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.473 4.572 -8.782 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.987 4.282 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.772 2.449 -10.049 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.054 3.607 -10.341 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.260 1.360 -8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.815 1.212 -9.956 1.00 0.00 H new ATOM 0 HE ARG A 20 7.049 3.535 -8.978 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.924 0.105 -8.152 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.554 0.091 -7.471 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.141 3.510 -8.099 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.804 2.011 -7.441 1.00 0.00 H new ATOM 265 N LEU A 21 3.379 4.756 -5.702 1.00 0.00 N ATOM 266 CA LEU A 21 2.779 5.704 -4.769 1.00 0.00 C ATOM 267 C LEU A 21 3.403 7.088 -4.922 1.00 0.00 C ATOM 268 O LEU A 21 4.572 7.215 -5.288 1.00 0.00 O ATOM 269 CB LEU A 21 2.950 5.212 -3.331 1.00 0.00 C ATOM 270 CG LEU A 21 4.190 4.362 -3.055 1.00 0.00 C ATOM 271 CD1 LEU A 21 5.455 5.141 -3.379 1.00 0.00 C ATOM 272 CD2 LEU A 21 4.206 3.895 -1.606 1.00 0.00 C ATOM 0 H LEU A 21 4.396 4.804 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 21 1.716 5.777 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.975 6.080 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.068 4.631 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 21 4.154 3.483 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.327 4.519 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.448 5.424 -4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.498 6.038 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.096 3.291 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.217 4.761 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.316 3.298 -1.406 1.00 0.00 H new ATOM 284 N SER A 22 2.617 8.121 -4.638 1.00 0.00 N ATOM 285 CA SER A 22 3.092 9.495 -4.746 1.00 0.00 C ATOM 286 C SER A 22 2.386 10.395 -3.736 1.00 0.00 C ATOM 287 O SER A 22 1.186 10.259 -3.499 1.00 0.00 O ATOM 288 CB SER A 22 2.867 10.025 -6.163 1.00 0.00 C ATOM 289 OG SER A 22 3.747 11.098 -6.452 1.00 0.00 O ATOM 0 H SER A 22 1.648 8.033 -4.331 1.00 0.00 H new ATOM 0 HA SER A 22 4.160 9.502 -4.529 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.019 9.221 -6.884 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.835 10.358 -6.270 1.00 0.00 H new ATOM 0 HG SER A 22 3.584 11.418 -7.364 1.00 0.00 H new ATOM 295 N GLY A 23 3.140 11.315 -3.143 1.00 0.00 N ATOM 296 CA GLY A 23 2.571 12.224 -2.165 1.00 0.00 C ATOM 297 C GLY A 23 2.713 11.712 -0.745 1.00 0.00 C ATOM 298 O GLY A 23 3.650 10.977 -0.434 1.00 0.00 O ATOM 0 H GLY A 23 4.135 11.447 -3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.060 13.195 -2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.515 12.378 -2.388 1.00 0.00 H new ATOM 302 N GLY A 24 1.781 12.102 0.119 1.00 0.00 N ATOM 303 CA GLY A 24 1.826 11.669 1.504 1.00 0.00 C ATOM 304 C GLY A 24 1.242 12.698 2.452 1.00 0.00 C ATOM 305 O GLY A 24 1.258 13.895 2.166 1.00 0.00 O ATOM 0 H GLY A 24 0.996 12.710 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.278 10.732 1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.859 11.466 1.785 1.00 0.00 H new ATOM 309 N ILE A 25 0.722 12.230 3.582 1.00 0.00 N ATOM 310 CA ILE A 25 0.129 13.118 4.574 1.00 0.00 C ATOM 311 C ILE A 25 1.163 14.093 5.127 1.00 0.00 C ATOM 312 O ILE A 25 0.816 15.157 5.640 1.00 0.00 O ATOM 313 CB ILE A 25 -0.489 12.326 5.741 1.00 0.00 C ATOM 314 CG1 ILE A 25 0.548 11.378 6.348 1.00 0.00 C ATOM 315 CG2 ILE A 25 -1.710 11.551 5.267 1.00 0.00 C ATOM 316 CD1 ILE A 25 0.187 10.897 7.736 1.00 0.00 C ATOM 0 H ILE A 25 0.699 11.242 3.833 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.658 13.676 4.067 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.806 13.029 6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.667 10.515 5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.512 11.884 6.387 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.136 10.996 6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.453 12.246 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.417 10.855 4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.966 10.229 8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.096 11.752 8.405 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.762 10.362 7.700 1.00 0.00 H new ATOM 328 N ASP A 26 2.434 13.723 5.019 1.00 0.00 N ATOM 329 CA ASP A 26 3.520 14.566 5.506 1.00 0.00 C ATOM 330 C ASP A 26 3.864 15.650 4.490 1.00 0.00 C ATOM 331 O ASP A 26 4.203 16.775 4.857 1.00 0.00 O ATOM 332 CB ASP A 26 4.758 13.718 5.804 1.00 0.00 C ATOM 333 CG ASP A 26 5.626 13.511 4.578 1.00 0.00 C ATOM 334 OD1 ASP A 26 5.201 12.769 3.668 1.00 0.00 O ATOM 335 OD2 ASP A 26 6.731 14.092 4.529 1.00 0.00 O ATOM 0 H ASP A 26 2.738 12.845 4.599 1.00 0.00 H new ATOM 0 HA ASP A 26 3.189 15.047 6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.346 14.200 6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.446 12.749 6.193 1.00 0.00 H new ATOM 340 N PHE A 27 3.775 15.304 3.210 1.00 0.00 N ATOM 341 CA PHE A 27 4.078 16.248 2.140 1.00 0.00 C ATOM 342 C PHE A 27 2.858 17.100 1.804 1.00 0.00 C ATOM 343 O PHE A 27 2.847 17.822 0.808 1.00 0.00 O ATOM 344 CB PHE A 27 4.551 15.501 0.891 1.00 0.00 C ATOM 345 CG PHE A 27 5.857 14.784 1.080 1.00 0.00 C ATOM 346 CD1 PHE A 27 7.055 15.480 1.050 1.00 0.00 C ATOM 347 CD2 PHE A 27 5.888 13.415 1.289 1.00 0.00 C ATOM 348 CE1 PHE A 27 8.259 14.823 1.223 1.00 0.00 C ATOM 349 CE2 PHE A 27 7.088 12.752 1.463 1.00 0.00 C ATOM 350 CZ PHE A 27 8.275 13.457 1.431 1.00 0.00 C ATOM 0 H PHE A 27 3.496 14.377 2.888 1.00 0.00 H new ATOM 0 HA PHE A 27 4.875 16.906 2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.788 14.779 0.599 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.651 16.210 0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.048 16.548 0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.963 12.859 1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.186 15.377 1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.097 11.684 1.624 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.214 12.942 1.568 1.00 0.00 H new ATOM 360 N ASN A 28 1.831 17.010 2.644 1.00 0.00 N ATOM 361 CA ASN A 28 0.605 17.772 2.436 1.00 0.00 C ATOM 362 C ASN A 28 -0.065 17.377 1.124 1.00 0.00 C ATOM 363 O ASN A 28 -0.695 18.204 0.465 1.00 0.00 O ATOM 364 CB ASN A 28 0.905 19.272 2.438 1.00 0.00 C ATOM 365 CG ASN A 28 1.289 19.783 3.813 1.00 0.00 C ATOM 366 OD1 ASN A 28 0.741 19.345 4.825 1.00 0.00 O ATOM 367 ND2 ASN A 28 2.233 20.716 3.856 1.00 0.00 N ATOM 0 H ASN A 28 1.824 16.417 3.474 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.078 17.544 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.714 19.479 1.738 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.029 19.815 2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.531 21.099 4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.660 21.050 2.992 1.00 0.00 H new ATOM 374 N GLN A 29 0.075 16.109 0.752 1.00 0.00 N ATOM 375 CA GLN A 29 -0.516 15.605 -0.482 1.00 0.00 C ATOM 376 C GLN A 29 -1.035 14.183 -0.296 1.00 0.00 C ATOM 377 O GLN A 29 -0.475 13.386 0.457 1.00 0.00 O ATOM 378 CB GLN A 29 0.509 15.643 -1.617 1.00 0.00 C ATOM 379 CG GLN A 29 0.665 17.016 -2.250 1.00 0.00 C ATOM 380 CD GLN A 29 1.915 17.128 -3.100 1.00 0.00 C ATOM 381 OE1 GLN A 29 2.929 17.674 -2.665 1.00 0.00 O ATOM 382 NE2 GLN A 29 1.850 16.609 -4.321 1.00 0.00 N ATOM 0 H GLN A 29 0.592 15.412 1.287 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.357 16.248 -0.741 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.476 15.317 -1.233 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.214 14.929 -2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.209 17.229 -2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.695 17.772 -1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.989 16.165 -4.641 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.661 16.654 -4.938 1.00 0.00 H new ATOM 391 N PRO A 30 -2.129 13.855 -0.999 1.00 0.00 N ATOM 392 CA PRO A 30 -2.747 12.528 -0.928 1.00 0.00 C ATOM 393 C PRO A 30 -1.886 11.452 -1.581 1.00 0.00 C ATOM 394 O PRO A 30 -1.221 11.701 -2.587 1.00 0.00 O ATOM 395 CB PRO A 30 -4.058 12.705 -1.698 1.00 0.00 C ATOM 396 CG PRO A 30 -3.798 13.836 -2.633 1.00 0.00 C ATOM 397 CD PRO A 30 -2.848 14.755 -1.916 1.00 0.00 C ATOM 0 HA PRO A 30 -2.883 12.197 0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.325 11.797 -2.239 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.885 12.930 -1.025 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.365 13.479 -3.567 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.723 14.353 -2.888 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.168 15.250 -2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.378 15.539 -1.376 1.00 0.00 H new ATOM 405 N LEU A 31 -1.903 10.256 -1.004 1.00 0.00 N ATOM 406 CA LEU A 31 -1.124 9.141 -1.531 1.00 0.00 C ATOM 407 C LEU A 31 -1.776 8.565 -2.784 1.00 0.00 C ATOM 408 O LEU A 31 -2.689 7.743 -2.700 1.00 0.00 O ATOM 409 CB LEU A 31 -0.978 8.048 -0.470 1.00 0.00 C ATOM 410 CG LEU A 31 -0.217 8.441 0.796 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.528 7.473 1.927 1.00 0.00 C ATOM 412 CD2 LEU A 31 1.280 8.485 0.527 1.00 0.00 C ATOM 0 H LEU A 31 -2.448 10.033 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.135 9.515 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.975 7.713 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.474 7.194 -0.923 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.541 9.437 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.022 7.768 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.597 7.491 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.232 6.465 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.806 8.767 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.620 7.502 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.488 9.218 -0.252 1.00 0.00 H new ATOM 424 N VAL A 32 -1.300 9.000 -3.946 1.00 0.00 N ATOM 425 CA VAL A 32 -1.834 8.525 -5.217 1.00 0.00 C ATOM 426 C VAL A 32 -0.844 7.603 -5.920 1.00 0.00 C ATOM 427 O VAL A 32 0.309 7.481 -5.504 1.00 0.00 O ATOM 428 CB VAL A 32 -2.180 9.698 -6.154 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.245 10.585 -5.528 1.00 0.00 C ATOM 430 CG2 VAL A 32 -0.931 10.502 -6.484 1.00 0.00 C ATOM 0 H VAL A 32 -0.545 9.681 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.744 7.970 -4.990 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.580 9.293 -7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.477 11.408 -6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.146 9.999 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.877 10.984 -4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.194 11.327 -7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.500 10.899 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.203 9.858 -6.977 1.00 0.00 H new ATOM 440 N ILE A 33 -1.301 6.955 -6.986 1.00 0.00 N ATOM 441 CA ILE A 33 -0.454 6.045 -7.747 1.00 0.00 C ATOM 442 C ILE A 33 0.360 6.798 -8.795 1.00 0.00 C ATOM 443 O ILE A 33 -0.164 7.657 -9.505 1.00 0.00 O ATOM 444 CB ILE A 33 -1.287 4.954 -8.447 1.00 0.00 C ATOM 445 CG1 ILE A 33 -1.981 4.069 -7.410 1.00 0.00 C ATOM 446 CG2 ILE A 33 -0.403 4.117 -9.359 1.00 0.00 C ATOM 447 CD1 ILE A 33 -3.162 3.303 -7.964 1.00 0.00 C ATOM 0 H ILE A 33 -2.253 7.043 -7.342 1.00 0.00 H new ATOM 0 HA ILE A 33 0.223 5.573 -7.035 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.052 5.436 -9.057 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.257 3.362 -7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.318 4.691 -6.581 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.006 3.351 -9.846 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.050 4.758 -10.115 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.381 3.642 -8.770 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.605 2.697 -7.174 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.905 4.004 -8.344 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.828 2.655 -8.774 1.00 0.00 H new ATOM 459 N THR A 34 1.644 6.468 -8.887 1.00 0.00 N ATOM 460 CA THR A 34 2.531 7.112 -9.848 1.00 0.00 C ATOM 461 C THR A 34 2.483 6.407 -11.198 1.00 0.00 C ATOM 462 O THR A 34 2.548 7.049 -12.247 1.00 0.00 O ATOM 463 CB THR A 34 3.987 7.132 -9.343 1.00 0.00 C ATOM 464 OG1 THR A 34 4.711 6.026 -9.893 1.00 0.00 O ATOM 465 CG2 THR A 34 4.033 7.070 -7.824 1.00 0.00 C ATOM 0 H THR A 34 2.093 5.759 -8.308 1.00 0.00 H new ATOM 0 HA THR A 34 2.180 8.138 -9.964 1.00 0.00 H new ATOM 0 HB THR A 34 4.449 8.065 -9.667 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.636 6.047 -9.569 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.071 7.085 -7.490 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.506 7.929 -7.409 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.556 6.151 -7.483 1.00 0.00 H new ATOM 473 N ARG A 35 2.369 5.083 -11.166 1.00 0.00 N ATOM 474 CA ARG A 35 2.313 4.291 -12.388 1.00 0.00 C ATOM 475 C ARG A 35 1.716 2.913 -12.116 1.00 0.00 C ATOM 476 O ARG A 35 1.815 2.391 -11.006 1.00 0.00 O ATOM 477 CB ARG A 35 3.712 4.143 -12.990 1.00 0.00 C ATOM 478 CG ARG A 35 3.707 3.918 -14.493 1.00 0.00 C ATOM 479 CD ARG A 35 3.663 2.436 -14.835 1.00 0.00 C ATOM 480 NE ARG A 35 4.142 2.172 -16.189 1.00 0.00 N ATOM 481 CZ ARG A 35 5.428 2.104 -16.513 1.00 0.00 C ATOM 482 NH1 ARG A 35 6.359 2.280 -15.586 1.00 0.00 N ATOM 483 NH2 ARG A 35 5.785 1.860 -17.768 1.00 0.00 N ATOM 0 H ARG A 35 2.314 4.537 -10.307 1.00 0.00 H new ATOM 0 HA ARG A 35 1.672 4.812 -13.100 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.291 5.039 -12.767 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.219 3.308 -12.508 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.846 4.420 -14.934 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.598 4.368 -14.932 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.271 1.881 -14.121 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.641 2.071 -14.735 1.00 0.00 H new ATOM 0 HE ARG A 35 3.451 2.032 -16.926 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.088 2.468 -14.621 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.346 2.227 -15.838 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.071 1.725 -18.484 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.773 1.808 -18.016 1.00 0.00 H new ATOM 497 N ILE A 36 1.096 2.331 -13.137 1.00 0.00 N ATOM 498 CA ILE A 36 0.483 1.015 -13.008 1.00 0.00 C ATOM 499 C ILE A 36 1.080 0.030 -14.008 1.00 0.00 C ATOM 500 O ILE A 36 1.259 0.352 -15.183 1.00 0.00 O ATOM 501 CB ILE A 36 -1.041 1.080 -13.217 1.00 0.00 C ATOM 502 CG1 ILE A 36 -1.698 1.879 -12.090 1.00 0.00 C ATOM 503 CG2 ILE A 36 -1.626 -0.323 -13.290 1.00 0.00 C ATOM 504 CD1 ILE A 36 -1.552 1.236 -10.728 1.00 0.00 C ATOM 0 H ILE A 36 1.005 2.750 -14.062 1.00 0.00 H new ATOM 0 HA ILE A 36 0.688 0.670 -11.994 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.243 1.586 -14.161 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.261 2.877 -12.060 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.758 2.002 -12.313 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.704 -0.260 -13.438 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.176 -0.862 -14.124 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.417 -0.853 -12.361 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.042 1.857 -9.978 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.015 0.249 -10.740 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.494 1.138 -10.484 1.00 0.00 H new ATOM 516 N THR A 37 1.386 -1.174 -13.534 1.00 0.00 N ATOM 517 CA THR A 37 1.962 -2.207 -14.386 1.00 0.00 C ATOM 518 C THR A 37 0.990 -2.617 -15.487 1.00 0.00 C ATOM 519 O THR A 37 -0.098 -3.132 -15.228 1.00 0.00 O ATOM 520 CB THR A 37 2.353 -3.454 -13.571 1.00 0.00 C ATOM 521 OG1 THR A 37 3.228 -3.084 -12.500 1.00 0.00 O ATOM 522 CG2 THR A 37 3.033 -4.487 -14.456 1.00 0.00 C ATOM 0 H THR A 37 1.244 -1.458 -12.564 1.00 0.00 H new ATOM 0 HA THR A 37 2.858 -1.781 -14.837 1.00 0.00 H new ATOM 0 HB THR A 37 1.444 -3.893 -13.161 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.835 -2.339 -11.999 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.300 -5.359 -13.859 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.353 -4.788 -15.253 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.934 -4.056 -14.892 1.00 0.00 H new ATOM 530 N PRO A 38 1.390 -2.385 -16.746 1.00 0.00 N ATOM 531 CA PRO A 38 0.569 -2.725 -17.912 1.00 0.00 C ATOM 532 C PRO A 38 0.453 -4.231 -18.121 1.00 0.00 C ATOM 533 O PRO A 38 1.435 -4.899 -18.444 1.00 0.00 O ATOM 534 CB PRO A 38 1.323 -2.079 -19.077 1.00 0.00 C ATOM 535 CG PRO A 38 2.736 -1.998 -18.615 1.00 0.00 C ATOM 536 CD PRO A 38 2.674 -1.775 -17.129 1.00 0.00 C ATOM 0 HA PRO A 38 -0.457 -2.374 -17.804 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.237 -2.677 -19.984 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.924 -1.091 -19.307 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.276 -2.915 -18.850 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.262 -1.182 -19.110 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.512 -2.247 -16.616 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.705 -0.714 -16.880 1.00 0.00 H new ATOM 544 N GLY A 39 -0.753 -4.759 -17.936 1.00 0.00 N ATOM 545 CA GLY A 39 -0.973 -6.183 -18.109 1.00 0.00 C ATOM 546 C GLY A 39 -0.430 -6.999 -16.953 1.00 0.00 C ATOM 547 O GLY A 39 0.500 -7.787 -17.123 1.00 0.00 O ATOM 0 H GLY A 39 -1.581 -4.226 -17.670 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.041 -6.372 -18.213 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.500 -6.511 -19.035 1.00 0.00 H new ATOM 551 N SER A 40 -1.011 -6.809 -15.773 1.00 0.00 N ATOM 552 CA SER A 40 -0.576 -7.529 -14.582 1.00 0.00 C ATOM 553 C SER A 40 -1.597 -7.387 -13.457 1.00 0.00 C ATOM 554 O SER A 40 -2.667 -6.807 -13.644 1.00 0.00 O ATOM 555 CB SER A 40 0.787 -7.013 -14.117 1.00 0.00 C ATOM 556 OG SER A 40 0.641 -5.968 -13.171 1.00 0.00 O ATOM 0 H SER A 40 -1.784 -6.163 -15.616 1.00 0.00 H new ATOM 0 HA SER A 40 -0.489 -8.585 -14.838 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.357 -7.830 -13.676 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.356 -6.654 -14.975 1.00 0.00 H new ATOM 0 HG SER A 40 1.465 -5.884 -12.647 1.00 0.00 H new ATOM 562 N LYS A 41 -1.259 -7.921 -12.288 1.00 0.00 N ATOM 563 CA LYS A 41 -2.143 -7.853 -11.131 1.00 0.00 C ATOM 564 C LYS A 41 -2.505 -6.408 -10.806 1.00 0.00 C ATOM 565 O LYS A 41 -3.529 -6.140 -10.178 1.00 0.00 O ATOM 566 CB LYS A 41 -1.480 -8.509 -9.918 1.00 0.00 C ATOM 567 CG LYS A 41 -1.200 -9.990 -10.105 1.00 0.00 C ATOM 568 CD LYS A 41 -0.124 -10.479 -9.149 1.00 0.00 C ATOM 569 CE LYS A 41 0.177 -11.955 -9.357 1.00 0.00 C ATOM 570 NZ LYS A 41 0.848 -12.556 -8.171 1.00 0.00 N ATOM 0 H LYS A 41 -0.378 -8.406 -12.117 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.059 -8.392 -11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.543 -7.995 -9.704 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.122 -8.376 -9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.116 -10.558 -9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.887 -10.175 -11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.786 -9.897 -9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.447 -10.314 -8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.751 -12.490 -9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.813 -12.076 -10.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.036 -13.563 -8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.746 -12.062 -7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.231 -12.463 -7.339 1.00 0.00 H new ATOM 584 N ALA A 42 -1.659 -5.479 -11.240 1.00 0.00 N ATOM 585 CA ALA A 42 -1.892 -4.061 -10.998 1.00 0.00 C ATOM 586 C ALA A 42 -2.995 -3.523 -11.903 1.00 0.00 C ATOM 587 O ALA A 42 -4.098 -3.226 -11.444 1.00 0.00 O ATOM 588 CB ALA A 42 -0.607 -3.272 -11.203 1.00 0.00 C ATOM 0 H ALA A 42 -0.806 -5.683 -11.761 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.217 -3.943 -9.964 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.796 -2.214 -11.019 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.154 -3.630 -10.510 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.258 -3.405 -12.227 1.00 0.00 H new ATOM 594 N ALA A 43 -2.691 -3.400 -13.190 1.00 0.00 N ATOM 595 CA ALA A 43 -3.657 -2.900 -14.160 1.00 0.00 C ATOM 596 C ALA A 43 -4.890 -3.796 -14.219 1.00 0.00 C ATOM 597 O ALA A 43 -6.018 -3.312 -14.307 1.00 0.00 O ATOM 598 CB ALA A 43 -3.017 -2.790 -15.535 1.00 0.00 C ATOM 0 H ALA A 43 -1.782 -3.640 -13.586 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.975 -1.908 -13.839 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.751 -2.415 -16.249 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.172 -2.103 -15.489 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.669 -3.773 -15.854 1.00 0.00 H new ATOM 604 N ALA A 44 -4.667 -5.105 -14.170 1.00 0.00 N ATOM 605 CA ALA A 44 -5.759 -6.069 -14.217 1.00 0.00 C ATOM 606 C ALA A 44 -6.722 -5.863 -13.052 1.00 0.00 C ATOM 607 O ALA A 44 -7.837 -6.384 -13.057 1.00 0.00 O ATOM 608 CB ALA A 44 -5.212 -7.489 -14.208 1.00 0.00 C ATOM 0 H ALA A 44 -3.739 -5.522 -14.098 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.311 -5.911 -15.144 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.039 -8.198 -14.243 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.570 -7.637 -15.076 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.634 -7.651 -13.298 1.00 0.00 H new ATOM 614 N ALA A 45 -6.284 -5.101 -12.056 1.00 0.00 N ATOM 615 CA ALA A 45 -7.108 -4.826 -10.885 1.00 0.00 C ATOM 616 C ALA A 45 -7.816 -3.482 -11.016 1.00 0.00 C ATOM 617 O ALA A 45 -8.304 -2.929 -10.031 1.00 0.00 O ATOM 618 CB ALA A 45 -6.259 -4.858 -9.623 1.00 0.00 C ATOM 0 H ALA A 45 -5.363 -4.663 -12.036 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.870 -5.603 -10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.887 -4.651 -8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.805 -5.843 -9.515 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.476 -4.103 -9.692 1.00 0.00 H new ATOM 624 N ASN A 46 -7.868 -2.962 -12.238 1.00 0.00 N ATOM 625 CA ASN A 46 -8.516 -1.681 -12.497 1.00 0.00 C ATOM 626 C ASN A 46 -7.758 -0.542 -11.822 1.00 0.00 C ATOM 627 O ASN A 46 -8.357 0.431 -11.363 1.00 0.00 O ATOM 628 CB ASN A 46 -9.963 -1.709 -12.001 1.00 0.00 C ATOM 629 CG ASN A 46 -10.667 -3.008 -12.344 1.00 0.00 C ATOM 630 OD1 ASN A 46 -11.027 -3.246 -13.497 1.00 0.00 O ATOM 631 ND2 ASN A 46 -10.867 -3.855 -11.341 1.00 0.00 N ATOM 0 H ASN A 46 -7.469 -3.408 -13.064 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.511 -1.510 -13.574 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.977 -1.566 -10.921 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.511 -0.875 -12.440 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.336 -4.745 -11.511 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.552 -3.616 -10.401 1.00 0.00 H new ATOM 638 N LEU A 47 -6.437 -0.670 -11.766 1.00 0.00 N ATOM 639 CA LEU A 47 -5.595 0.348 -11.149 1.00 0.00 C ATOM 640 C LEU A 47 -5.171 1.398 -12.171 1.00 0.00 C ATOM 641 O LEU A 47 -4.944 1.084 -13.340 1.00 0.00 O ATOM 642 CB LEU A 47 -4.358 -0.296 -10.520 1.00 0.00 C ATOM 643 CG LEU A 47 -4.622 -1.314 -9.410 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.326 -1.980 -8.977 1.00 0.00 C ATOM 645 CD2 LEU A 47 -5.303 -0.646 -8.225 1.00 0.00 C ATOM 0 H LEU A 47 -5.926 -1.469 -12.141 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.177 0.840 -10.370 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.788 -0.788 -11.309 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.726 0.496 -10.117 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.288 -2.083 -9.800 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.534 -2.701 -8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.879 -2.493 -9.828 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.635 -1.224 -8.605 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.483 -1.385 -7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.662 0.144 -7.835 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.253 -0.218 -8.545 1.00 0.00 H new ATOM 657 N CYS A 48 -5.065 2.644 -11.723 1.00 0.00 N ATOM 658 CA CYS A 48 -4.666 3.740 -12.599 1.00 0.00 C ATOM 659 C CYS A 48 -3.935 4.824 -11.815 1.00 0.00 C ATOM 660 O CYS A 48 -4.260 5.119 -10.665 1.00 0.00 O ATOM 661 CB CYS A 48 -5.892 4.335 -13.295 1.00 0.00 C ATOM 662 SG CYS A 48 -5.664 6.037 -13.862 1.00 0.00 S ATOM 0 H CYS A 48 -5.250 2.921 -10.759 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.986 3.342 -13.353 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.150 3.710 -14.150 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.738 4.302 -12.609 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.753 6.452 -14.439 1.00 0.00 H new ATOM 668 N PRO A 49 -2.921 5.432 -12.450 1.00 0.00 N ATOM 669 CA PRO A 49 -2.122 6.493 -11.829 1.00 0.00 C ATOM 670 C PRO A 49 -2.912 7.784 -11.648 1.00 0.00 C ATOM 671 O PRO A 49 -3.079 8.558 -12.590 1.00 0.00 O ATOM 672 CB PRO A 49 -0.977 6.701 -12.824 1.00 0.00 C ATOM 673 CG PRO A 49 -1.527 6.253 -14.134 1.00 0.00 C ATOM 674 CD PRO A 49 -2.479 5.131 -13.821 1.00 0.00 C ATOM 0 HA PRO A 49 -1.791 6.221 -10.827 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.669 7.746 -12.860 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.099 6.120 -12.544 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.040 7.070 -14.642 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.730 5.916 -14.797 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.317 5.109 -14.518 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.989 4.159 -13.881 1.00 0.00 H new ATOM 682 N GLY A 50 -3.396 8.011 -10.431 1.00 0.00 N ATOM 683 CA GLY A 50 -4.162 9.210 -10.149 1.00 0.00 C ATOM 684 C GLY A 50 -5.145 9.016 -9.011 1.00 0.00 C ATOM 685 O GLY A 50 -5.602 9.985 -8.404 1.00 0.00 O ATOM 0 H GLY A 50 -3.271 7.385 -9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.480 10.023 -9.901 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.704 9.511 -11.046 1.00 0.00 H new ATOM 689 N ASP A 51 -5.471 7.762 -8.720 1.00 0.00 N ATOM 690 CA ASP A 51 -6.406 7.444 -7.647 1.00 0.00 C ATOM 691 C ASP A 51 -5.856 7.890 -6.296 1.00 0.00 C ATOM 692 O ASP A 51 -4.645 8.027 -6.122 1.00 0.00 O ATOM 693 CB ASP A 51 -6.695 5.942 -7.623 1.00 0.00 C ATOM 694 CG ASP A 51 -7.848 5.559 -8.530 1.00 0.00 C ATOM 695 OD1 ASP A 51 -8.978 6.031 -8.284 1.00 0.00 O ATOM 696 OD2 ASP A 51 -7.621 4.788 -9.485 1.00 0.00 O ATOM 0 H ASP A 51 -5.102 6.949 -9.212 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.335 7.983 -7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.801 5.398 -7.928 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.922 5.635 -6.602 1.00 0.00 H new ATOM 701 N VAL A 52 -6.754 8.117 -5.343 1.00 0.00 N ATOM 702 CA VAL A 52 -6.358 8.549 -4.008 1.00 0.00 C ATOM 703 C VAL A 52 -6.453 7.401 -3.009 1.00 0.00 C ATOM 704 O VAL A 52 -7.523 6.825 -2.810 1.00 0.00 O ATOM 705 CB VAL A 52 -7.231 9.718 -3.514 1.00 0.00 C ATOM 706 CG1 VAL A 52 -6.938 10.024 -2.053 1.00 0.00 C ATOM 707 CG2 VAL A 52 -7.012 10.949 -4.380 1.00 0.00 C ATOM 0 H VAL A 52 -7.760 8.009 -5.470 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.323 8.883 -4.077 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.278 9.426 -3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.564 10.853 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.151 9.143 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.888 10.296 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.637 11.765 -4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.964 11.245 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.278 10.720 -5.412 1.00 0.00 H new ATOM 717 N ILE A 53 -5.328 7.075 -2.383 1.00 0.00 N ATOM 718 CA ILE A 53 -5.284 5.997 -1.403 1.00 0.00 C ATOM 719 C ILE A 53 -5.867 6.444 -0.066 1.00 0.00 C ATOM 720 O ILE A 53 -5.157 6.981 0.785 1.00 0.00 O ATOM 721 CB ILE A 53 -3.845 5.496 -1.180 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.230 5.039 -2.504 1.00 0.00 C ATOM 723 CG2 ILE A 53 -3.829 4.363 -0.164 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.499 3.586 -2.827 1.00 0.00 C ATOM 0 H ILE A 53 -4.434 7.542 -2.537 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.886 5.182 -1.805 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.247 6.318 -0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.621 5.660 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.153 5.202 -2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.805 4.020 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.232 4.719 0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.439 3.537 -0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.033 3.333 -3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.084 2.956 -2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.574 3.421 -2.894 1.00 0.00 H new ATOM 736 N LEU A 54 -7.164 6.218 0.112 1.00 0.00 N ATOM 737 CA LEU A 54 -7.843 6.597 1.346 1.00 0.00 C ATOM 738 C LEU A 54 -7.337 5.769 2.523 1.00 0.00 C ATOM 739 O LEU A 54 -7.076 6.300 3.602 1.00 0.00 O ATOM 740 CB LEU A 54 -9.355 6.417 1.195 1.00 0.00 C ATOM 741 CG LEU A 54 -10.055 7.390 0.245 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.494 6.961 0.007 1.00 0.00 C ATOM 743 CD2 LEU A 54 -10.003 8.806 0.799 1.00 0.00 C ATOM 0 H LEU A 54 -7.766 5.775 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.625 7.647 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.547 5.401 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.812 6.510 2.180 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.531 7.376 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.976 7.665 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.508 5.964 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.031 6.946 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.506 9.485 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.502 8.836 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.964 9.113 0.917 1.00 0.00 H new ATOM 755 N ALA A 55 -7.198 4.465 2.306 1.00 0.00 N ATOM 756 CA ALA A 55 -6.718 3.564 3.347 1.00 0.00 C ATOM 757 C ALA A 55 -5.907 2.419 2.750 1.00 0.00 C ATOM 758 O ALA A 55 -6.222 1.920 1.669 1.00 0.00 O ATOM 759 CB ALA A 55 -7.887 3.021 4.154 1.00 0.00 C ATOM 0 H ALA A 55 -7.411 4.009 1.419 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.064 4.130 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.514 2.350 4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.424 3.848 4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.562 2.475 3.495 1.00 0.00 H new ATOM 765 N ILE A 56 -4.863 2.007 3.461 1.00 0.00 N ATOM 766 CA ILE A 56 -4.007 0.920 3.001 1.00 0.00 C ATOM 767 C ILE A 56 -4.286 -0.364 3.775 1.00 0.00 C ATOM 768 O ILE A 56 -4.374 -0.354 5.003 1.00 0.00 O ATOM 769 CB ILE A 56 -2.516 1.279 3.144 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.177 2.498 2.284 1.00 0.00 C ATOM 771 CG2 ILE A 56 -1.647 0.092 2.756 1.00 0.00 C ATOM 772 CD1 ILE A 56 -0.780 3.031 2.514 1.00 0.00 C ATOM 0 H ILE A 56 -4.589 2.409 4.358 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.235 0.763 1.947 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.315 1.527 4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.287 2.233 1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.898 3.290 2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.596 0.361 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.873 -0.753 3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.848 -0.183 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.610 3.894 1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.671 3.328 3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.051 2.255 2.280 1.00 0.00 H new ATOM 784 N ASP A 57 -4.422 -1.468 3.048 1.00 0.00 N ATOM 785 CA ASP A 57 -4.688 -2.762 3.666 1.00 0.00 C ATOM 786 C ASP A 57 -5.766 -2.641 4.738 1.00 0.00 C ATOM 787 O ASP A 57 -5.650 -3.218 5.818 1.00 0.00 O ATOM 788 CB ASP A 57 -3.407 -3.332 4.276 1.00 0.00 C ATOM 789 CG ASP A 57 -3.604 -4.726 4.839 1.00 0.00 C ATOM 790 OD1 ASP A 57 -4.547 -5.417 4.397 1.00 0.00 O ATOM 791 OD2 ASP A 57 -2.816 -5.127 5.720 1.00 0.00 O ATOM 0 H ASP A 57 -4.352 -1.493 2.031 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.046 -3.440 2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.626 -3.357 3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.059 -2.669 5.068 1.00 0.00 H new ATOM 796 N GLY A 58 -6.816 -1.884 4.431 1.00 0.00 N ATOM 797 CA GLY A 58 -7.900 -1.700 5.379 1.00 0.00 C ATOM 798 C GLY A 58 -7.501 -0.827 6.553 1.00 0.00 C ATOM 799 O GLY A 58 -8.047 -0.960 7.648 1.00 0.00 O ATOM 0 H GLY A 58 -6.935 -1.395 3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.752 -1.251 4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.226 -2.673 5.748 1.00 0.00 H new ATOM 803 N PHE A 59 -6.546 0.068 6.325 1.00 0.00 N ATOM 804 CA PHE A 59 -6.073 0.965 7.373 1.00 0.00 C ATOM 805 C PHE A 59 -5.885 2.380 6.834 1.00 0.00 C ATOM 806 O PHE A 59 -4.933 2.657 6.105 1.00 0.00 O ATOM 807 CB PHE A 59 -4.755 0.450 7.957 1.00 0.00 C ATOM 808 CG PHE A 59 -4.874 -0.900 8.604 1.00 0.00 C ATOM 809 CD1 PHE A 59 -5.775 -1.112 9.634 1.00 0.00 C ATOM 810 CD2 PHE A 59 -4.083 -1.957 8.182 1.00 0.00 C ATOM 811 CE1 PHE A 59 -5.885 -2.354 10.232 1.00 0.00 C ATOM 812 CE2 PHE A 59 -4.189 -3.200 8.776 1.00 0.00 C ATOM 813 CZ PHE A 59 -5.092 -3.399 9.802 1.00 0.00 C ATOM 0 H PHE A 59 -6.084 0.192 5.424 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.826 0.993 8.161 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.010 0.399 7.163 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.388 1.166 8.693 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.399 -0.298 9.974 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.376 -1.807 7.380 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.591 -2.506 11.035 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.566 -4.015 8.438 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.178 -4.370 10.267 1.00 0.00 H new ATOM 823 N GLY A 60 -6.801 3.272 7.197 1.00 0.00 N ATOM 824 CA GLY A 60 -6.720 4.647 6.741 1.00 0.00 C ATOM 825 C GLY A 60 -5.326 5.226 6.890 1.00 0.00 C ATOM 826 O GLY A 60 -4.564 4.813 7.765 1.00 0.00 O ATOM 0 H GLY A 60 -7.598 3.067 7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.021 4.698 5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.426 5.256 7.306 1.00 0.00 H new ATOM 830 N THR A 61 -4.990 6.184 6.032 1.00 0.00 N ATOM 831 CA THR A 61 -3.679 6.818 6.070 1.00 0.00 C ATOM 832 C THR A 61 -3.748 8.185 6.741 1.00 0.00 C ATOM 833 O THR A 61 -3.165 9.154 6.256 1.00 0.00 O ATOM 834 CB THR A 61 -3.093 6.983 4.654 1.00 0.00 C ATOM 835 OG1 THR A 61 -3.768 8.041 3.965 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.223 5.691 3.862 1.00 0.00 C ATOM 0 H THR A 61 -5.608 6.538 5.302 1.00 0.00 H new ATOM 0 HA THR A 61 -3.029 6.164 6.651 1.00 0.00 H new ATOM 0 HB THR A 61 -2.035 7.229 4.748 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.534 8.900 4.375 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.803 5.831 2.866 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.684 4.894 4.375 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.276 5.421 3.777 1.00 0.00 H new ATOM 844 N GLU A 62 -4.464 8.255 7.859 1.00 0.00 N ATOM 845 CA GLU A 62 -4.609 9.505 8.595 1.00 0.00 C ATOM 846 C GLU A 62 -3.284 9.919 9.230 1.00 0.00 C ATOM 847 O GLU A 62 -2.956 11.104 9.292 1.00 0.00 O ATOM 848 CB GLU A 62 -5.683 9.365 9.676 1.00 0.00 C ATOM 849 CG GLU A 62 -5.425 8.223 10.645 1.00 0.00 C ATOM 850 CD GLU A 62 -4.536 8.630 11.804 1.00 0.00 C ATOM 851 OE1 GLU A 62 -4.504 9.835 12.132 1.00 0.00 O ATOM 852 OE2 GLU A 62 -3.871 7.745 12.381 1.00 0.00 O ATOM 0 H GLU A 62 -4.952 7.461 8.274 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.912 10.279 7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.747 10.298 10.236 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.651 9.213 9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.376 7.858 11.032 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.961 7.395 10.109 1.00 0.00 H new ATOM 859 N SER A 63 -2.527 8.933 9.701 1.00 0.00 N ATOM 860 CA SER A 63 -1.240 9.194 10.335 1.00 0.00 C ATOM 861 C SER A 63 -0.135 8.370 9.681 1.00 0.00 C ATOM 862 O SER A 63 0.878 8.062 10.308 1.00 0.00 O ATOM 863 CB SER A 63 -1.310 8.878 11.830 1.00 0.00 C ATOM 864 OG SER A 63 -0.257 9.511 12.535 1.00 0.00 O ATOM 0 H SER A 63 -2.783 7.947 9.656 1.00 0.00 H new ATOM 0 HA SER A 63 -1.007 10.251 10.205 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.269 9.207 12.230 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.255 7.800 11.980 1.00 0.00 H new ATOM 0 HG SER A 63 0.599 9.292 12.111 1.00 0.00 H new ATOM 870 N MET A 64 -0.339 8.015 8.416 1.00 0.00 N ATOM 871 CA MET A 64 0.640 7.227 7.676 1.00 0.00 C ATOM 872 C MET A 64 1.275 8.055 6.564 1.00 0.00 C ATOM 873 O MET A 64 0.648 8.319 5.537 1.00 0.00 O ATOM 874 CB MET A 64 -0.020 5.979 7.086 1.00 0.00 C ATOM 875 CG MET A 64 0.651 5.480 5.817 1.00 0.00 C ATOM 876 SD MET A 64 0.512 3.694 5.614 1.00 0.00 S ATOM 877 CE MET A 64 -1.193 3.430 6.094 1.00 0.00 C ATOM 0 H MET A 64 -1.173 8.261 7.883 1.00 0.00 H new ATOM 0 HA MET A 64 1.423 6.921 8.369 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.006 5.184 7.831 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.066 6.198 6.872 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.204 5.976 4.955 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.705 5.759 5.834 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.230 3.070 7.122 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.742 4.369 6.018 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.646 2.691 5.434 1.00 0.00 H new ATOM 887 N THR A 65 2.523 8.463 6.774 1.00 0.00 N ATOM 888 CA THR A 65 3.242 9.262 5.790 1.00 0.00 C ATOM 889 C THR A 65 3.771 8.392 4.656 1.00 0.00 C ATOM 890 O THR A 65 3.741 7.164 4.736 1.00 0.00 O ATOM 891 CB THR A 65 4.419 10.019 6.433 1.00 0.00 C ATOM 892 OG1 THR A 65 5.519 9.127 6.643 1.00 0.00 O ATOM 893 CG2 THR A 65 4.004 10.641 7.758 1.00 0.00 C ATOM 0 H THR A 65 3.057 8.253 7.617 1.00 0.00 H new ATOM 0 HA THR A 65 2.531 9.984 5.389 1.00 0.00 H new ATOM 0 HB THR A 65 4.723 10.817 5.755 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.264 9.616 7.051 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.852 11.170 8.193 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.186 11.342 7.591 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.676 9.857 8.441 1.00 0.00 H new ATOM 901 N HIS A 66 4.255 9.036 3.598 1.00 0.00 N ATOM 902 CA HIS A 66 4.793 8.319 2.447 1.00 0.00 C ATOM 903 C HIS A 66 5.775 7.239 2.890 1.00 0.00 C ATOM 904 O HIS A 66 5.673 6.086 2.472 1.00 0.00 O ATOM 905 CB HIS A 66 5.483 9.293 1.491 1.00 0.00 C ATOM 906 CG HIS A 66 5.572 8.788 0.084 1.00 0.00 C ATOM 907 ND1 HIS A 66 4.465 8.584 -0.713 1.00 0.00 N ATOM 908 CD2 HIS A 66 6.644 8.448 -0.669 1.00 0.00 C ATOM 909 CE1 HIS A 66 4.853 8.139 -1.895 1.00 0.00 C ATOM 910 NE2 HIS A 66 6.171 8.048 -1.894 1.00 0.00 N ATOM 0 H HIS A 66 4.286 10.052 3.514 1.00 0.00 H new ATOM 0 HA HIS A 66 3.963 7.839 1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.941 10.239 1.495 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.488 9.500 1.859 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.679 8.485 -0.363 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.203 7.892 -2.721 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.744 7.732 -2.676 1.00 0.00 H new ATOM 919 N ALA A 67 6.725 7.621 3.736 1.00 0.00 N ATOM 920 CA ALA A 67 7.725 6.685 4.236 1.00 0.00 C ATOM 921 C ALA A 67 7.067 5.512 4.955 1.00 0.00 C ATOM 922 O ALA A 67 7.517 4.372 4.843 1.00 0.00 O ATOM 923 CB ALA A 67 8.697 7.397 5.164 1.00 0.00 C ATOM 0 H ALA A 67 6.824 8.572 4.090 1.00 0.00 H new ATOM 0 HA ALA A 67 8.277 6.291 3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.438 6.686 5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.199 8.197 4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.151 7.819 6.008 1.00 0.00 H new ATOM 929 N ASP A 68 6.000 5.799 5.693 1.00 0.00 N ATOM 930 CA ASP A 68 5.280 4.767 6.430 1.00 0.00 C ATOM 931 C ASP A 68 4.575 3.809 5.475 1.00 0.00 C ATOM 932 O ASP A 68 4.570 2.597 5.688 1.00 0.00 O ATOM 933 CB ASP A 68 4.262 5.404 7.378 1.00 0.00 C ATOM 934 CG ASP A 68 4.888 5.851 8.684 1.00 0.00 C ATOM 935 OD1 ASP A 68 5.806 5.157 9.171 1.00 0.00 O ATOM 936 OD2 ASP A 68 4.461 6.895 9.220 1.00 0.00 O ATOM 0 H ASP A 68 5.615 6.738 5.797 1.00 0.00 H new ATOM 0 HA ASP A 68 6.004 4.200 7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.800 6.261 6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.466 4.689 7.586 1.00 0.00 H new ATOM 941 N ALA A 69 3.980 4.362 4.423 1.00 0.00 N ATOM 942 CA ALA A 69 3.272 3.556 3.436 1.00 0.00 C ATOM 943 C ALA A 69 4.147 2.414 2.930 1.00 0.00 C ATOM 944 O ALA A 69 3.660 1.312 2.681 1.00 0.00 O ATOM 945 CB ALA A 69 2.815 4.427 2.275 1.00 0.00 C ATOM 0 H ALA A 69 3.974 5.364 4.232 1.00 0.00 H new ATOM 0 HA ALA A 69 2.396 3.122 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.288 3.813 1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.147 5.205 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.682 4.888 1.802 1.00 0.00 H new ATOM 951 N GLN A 70 5.439 2.686 2.781 1.00 0.00 N ATOM 952 CA GLN A 70 6.381 1.680 2.304 1.00 0.00 C ATOM 953 C GLN A 70 6.501 0.531 3.299 1.00 0.00 C ATOM 954 O GLN A 70 6.705 -0.620 2.912 1.00 0.00 O ATOM 955 CB GLN A 70 7.755 2.309 2.066 1.00 0.00 C ATOM 956 CG GLN A 70 7.705 3.582 1.236 1.00 0.00 C ATOM 957 CD GLN A 70 7.829 3.314 -0.251 1.00 0.00 C ATOM 958 OE1 GLN A 70 8.018 2.173 -0.675 1.00 0.00 O ATOM 959 NE2 GLN A 70 7.724 4.367 -1.054 1.00 0.00 N ATOM 0 H GLN A 70 5.858 3.594 2.983 1.00 0.00 H new ATOM 0 HA GLN A 70 6.003 1.283 1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.216 2.530 3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.396 1.583 1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.767 4.102 1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.509 4.248 1.550 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.567 5.295 -0.660 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.800 4.248 -2.064 1.00 0.00 H new ATOM 968 N ASP A 71 6.373 0.850 4.582 1.00 0.00 N ATOM 969 CA ASP A 71 6.466 -0.156 5.634 1.00 0.00 C ATOM 970 C ASP A 71 5.095 -0.750 5.941 1.00 0.00 C ATOM 971 O ASP A 71 4.989 -1.781 6.605 1.00 0.00 O ATOM 972 CB ASP A 71 7.067 0.454 6.901 1.00 0.00 C ATOM 973 CG ASP A 71 7.840 -0.559 7.722 1.00 0.00 C ATOM 974 OD1 ASP A 71 7.247 -1.589 8.104 1.00 0.00 O ATOM 975 OD2 ASP A 71 9.038 -0.322 7.982 1.00 0.00 O ATOM 0 H ASP A 71 6.204 1.798 4.919 1.00 0.00 H new ATOM 0 HA ASP A 71 7.117 -0.956 5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.729 1.275 6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.269 0.878 7.510 1.00 0.00 H new ATOM 980 N ARG A 72 4.048 -0.091 5.455 1.00 0.00 N ATOM 981 CA ARG A 72 2.683 -0.553 5.679 1.00 0.00 C ATOM 982 C ARG A 72 2.185 -1.374 4.493 1.00 0.00 C ATOM 983 O ARG A 72 1.291 -2.208 4.635 1.00 0.00 O ATOM 984 CB ARG A 72 1.752 0.638 5.916 1.00 0.00 C ATOM 985 CG ARG A 72 1.632 1.035 7.378 1.00 0.00 C ATOM 986 CD ARG A 72 0.495 0.295 8.065 1.00 0.00 C ATOM 987 NE ARG A 72 0.455 -1.116 7.691 1.00 0.00 N ATOM 988 CZ ARG A 72 1.180 -2.055 8.287 1.00 0.00 C ATOM 989 NH1 ARG A 72 1.997 -1.735 9.281 1.00 0.00 N ATOM 990 NH2 ARG A 72 1.089 -3.318 7.889 1.00 0.00 N ATOM 0 H ARG A 72 4.119 0.764 4.904 1.00 0.00 H new ATOM 0 HA ARG A 72 2.682 -1.189 6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.116 1.492 5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.761 0.396 5.531 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.569 0.822 7.892 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.465 2.110 7.452 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.608 0.380 9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.453 0.766 7.805 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.164 -1.396 6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.070 -0.765 9.589 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.553 -2.458 9.737 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.462 -3.568 7.125 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.646 -4.039 8.348 1.00 0.00 H new ATOM 1004 N ILE A 73 2.769 -1.130 3.325 1.00 0.00 N ATOM 1005 CA ILE A 73 2.385 -1.847 2.115 1.00 0.00 C ATOM 1006 C ILE A 73 3.153 -3.157 1.985 1.00 0.00 C ATOM 1007 O ILE A 73 2.591 -4.185 1.605 1.00 0.00 O ATOM 1008 CB ILE A 73 2.627 -0.995 0.855 1.00 0.00 C ATOM 1009 CG1 ILE A 73 1.706 0.226 0.853 1.00 0.00 C ATOM 1010 CG2 ILE A 73 2.411 -1.830 -0.398 1.00 0.00 C ATOM 1011 CD1 ILE A 73 2.253 1.394 0.063 1.00 0.00 C ATOM 0 H ILE A 73 3.510 -0.442 3.191 1.00 0.00 H new ATOM 0 HA ILE A 73 1.320 -2.061 2.200 1.00 0.00 H new ATOM 0 HB ILE A 73 3.660 -0.647 0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.738 -0.060 0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.533 0.543 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.586 -1.214 -1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.105 -2.671 -0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.387 -2.204 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.548 2.224 0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.207 1.706 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.399 1.095 -0.975 1.00 0.00 H new ATOM 1023 N LYS A 74 4.442 -3.115 2.305 1.00 0.00 N ATOM 1024 CA LYS A 74 5.289 -4.299 2.228 1.00 0.00 C ATOM 1025 C LYS A 74 4.897 -5.319 3.292 1.00 0.00 C ATOM 1026 O LYS A 74 4.969 -6.527 3.064 1.00 0.00 O ATOM 1027 CB LYS A 74 6.760 -3.911 2.396 1.00 0.00 C ATOM 1028 CG LYS A 74 7.124 -3.506 3.814 1.00 0.00 C ATOM 1029 CD LYS A 74 8.602 -3.173 3.937 1.00 0.00 C ATOM 1030 CE LYS A 74 9.443 -4.428 4.112 1.00 0.00 C ATOM 1031 NZ LYS A 74 9.171 -5.101 5.412 1.00 0.00 N ATOM 0 H LYS A 74 4.923 -2.273 2.620 1.00 0.00 H new ATOM 0 HA LYS A 74 5.149 -4.752 1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.385 -4.752 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.989 -3.086 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.530 -2.642 4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.874 -4.315 4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.930 -2.635 3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.757 -2.508 4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.238 -5.120 3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.500 -4.168 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.987 -5.689 5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.008 -4.383 6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.327 -5.702 5.322 1.00 0.00 H new ATOM 1045 N ALA A 75 4.481 -4.826 4.453 1.00 0.00 N ATOM 1046 CA ALA A 75 4.074 -5.695 5.551 1.00 0.00 C ATOM 1047 C ALA A 75 2.601 -6.073 5.434 1.00 0.00 C ATOM 1048 O ALA A 75 1.988 -6.523 6.402 1.00 0.00 O ATOM 1049 CB ALA A 75 4.343 -5.018 6.887 1.00 0.00 C ATOM 0 H ALA A 75 4.417 -3.829 4.658 1.00 0.00 H new ATOM 0 HA ALA A 75 4.663 -6.611 5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.034 -5.678 7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.408 -4.804 6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.780 -4.087 6.943 1.00 0.00 H new ATOM 1055 N ALA A 76 2.039 -5.886 4.244 1.00 0.00 N ATOM 1056 CA ALA A 76 0.639 -6.209 4.002 1.00 0.00 C ATOM 1057 C ALA A 76 0.404 -7.715 4.063 1.00 0.00 C ATOM 1058 O ALA A 76 1.312 -8.482 4.383 1.00 0.00 O ATOM 1059 CB ALA A 76 0.196 -5.659 2.654 1.00 0.00 C ATOM 0 H ALA A 76 2.532 -5.513 3.433 1.00 0.00 H new ATOM 0 HA ALA A 76 0.044 -5.742 4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.852 -5.908 2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.318 -4.576 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.804 -6.099 1.864 1.00 0.00 H new ATOM 1065 N SER A 77 -0.821 -8.131 3.756 1.00 0.00 N ATOM 1066 CA SER A 77 -1.176 -9.545 3.781 1.00 0.00 C ATOM 1067 C SER A 77 -1.171 -10.131 2.372 1.00 0.00 C ATOM 1068 O SER A 77 -0.924 -9.425 1.395 1.00 0.00 O ATOM 1069 CB SER A 77 -2.553 -9.735 4.420 1.00 0.00 C ATOM 1070 OG SER A 77 -2.486 -9.588 5.828 1.00 0.00 O ATOM 0 H SER A 77 -1.584 -7.509 3.487 1.00 0.00 H new ATOM 0 HA SER A 77 -0.431 -10.071 4.377 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.252 -9.007 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.939 -10.724 4.172 1.00 0.00 H new ATOM 0 HG SER A 77 -3.379 -9.712 6.213 1.00 0.00 H new ATOM 1076 N TYR A 78 -1.445 -11.427 2.277 1.00 0.00 N ATOM 1077 CA TYR A 78 -1.471 -12.111 0.989 1.00 0.00 C ATOM 1078 C TYR A 78 -2.148 -11.249 -0.072 1.00 0.00 C ATOM 1079 O TYR A 78 -1.884 -11.393 -1.265 1.00 0.00 O ATOM 1080 CB TYR A 78 -2.197 -13.451 1.114 1.00 0.00 C ATOM 1081 CG TYR A 78 -3.460 -13.380 1.943 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -3.426 -13.594 3.315 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -4.687 -13.102 1.354 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -4.576 -13.531 4.077 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -5.843 -13.036 2.108 1.00 0.00 C ATOM 1086 CZ TYR A 78 -5.782 -13.251 3.469 1.00 0.00 C ATOM 1087 OH TYR A 78 -6.932 -13.188 4.223 1.00 0.00 O ATOM 0 H TYR A 78 -1.652 -12.026 3.076 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.441 -12.291 0.681 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.447 -13.814 0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.521 -14.181 1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.483 -13.814 3.794 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.738 -12.935 0.288 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.531 -13.700 5.143 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.789 -12.817 1.634 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.693 -12.980 3.642 1.00 0.00 H new ATOM 1097 N GLN A 79 -3.022 -10.351 0.374 1.00 0.00 N ATOM 1098 CA GLN A 79 -3.737 -9.465 -0.537 1.00 0.00 C ATOM 1099 C GLN A 79 -3.821 -8.053 0.031 1.00 0.00 C ATOM 1100 O GLN A 79 -4.191 -7.859 1.190 1.00 0.00 O ATOM 1101 CB GLN A 79 -5.144 -10.004 -0.806 1.00 0.00 C ATOM 1102 CG GLN A 79 -6.033 -10.025 0.427 1.00 0.00 C ATOM 1103 CD GLN A 79 -7.330 -10.774 0.198 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -7.330 -11.902 -0.296 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -8.446 -10.150 0.556 1.00 0.00 N ATOM 0 H GLN A 79 -3.251 -10.218 1.359 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.184 -9.427 -1.476 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.617 -9.393 -1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.067 -11.015 -1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.492 -10.487 1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.257 -9.001 0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.400 -9.215 0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.349 -10.605 0.425 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.474 -7.068 -0.791 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.509 -5.672 -0.370 1.00 0.00 C ATOM 1116 C LEU A 80 -4.868 -5.047 -0.669 1.00 0.00 C ATOM 1117 O LEU A 80 -5.304 -5.008 -1.820 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.405 -4.879 -1.071 1.00 0.00 C ATOM 1119 CG LEU A 80 -2.210 -3.438 -0.599 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -1.666 -3.411 0.821 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.280 -2.689 -1.542 1.00 0.00 C ATOM 0 H LEU A 80 -3.165 -7.211 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.343 -5.639 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.464 -5.413 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.619 -4.864 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.179 -2.940 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.533 -2.377 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.368 -3.910 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.706 -3.926 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.153 -1.665 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.311 -3.187 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.709 -2.678 -2.544 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.531 -4.558 0.373 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.841 -3.934 0.221 1.00 0.00 C ATOM 1135 C CYS A 81 -6.723 -2.413 0.240 1.00 0.00 C ATOM 1136 O CYS A 81 -6.753 -1.790 1.302 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.782 -4.398 1.334 1.00 0.00 C ATOM 1138 SG CYS A 81 -8.540 -6.012 1.033 1.00 0.00 S ATOM 0 H CYS A 81 -5.183 -4.581 1.332 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.252 -4.237 -0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.227 -4.438 2.271 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -8.570 -3.656 1.462 1.00 0.00 H new ATOM 0 HG CYS A 81 -9.316 -6.319 2.029 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.587 -1.821 -0.941 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.463 -0.373 -1.062 1.00 0.00 C ATOM 1146 C LEU A 82 -7.811 0.265 -1.381 1.00 0.00 C ATOM 1147 O LEU A 82 -8.432 -0.047 -2.397 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.447 -0.017 -2.148 1.00 0.00 C ATOM 1149 CG LEU A 82 -4.064 -0.654 -2.009 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -3.273 -0.500 -3.299 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.308 -0.039 -0.841 1.00 0.00 C ATOM 0 H LEU A 82 -6.560 -2.322 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.115 0.018 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.862 -0.305 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.326 1.066 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.194 -1.718 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.292 -0.959 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.807 -0.989 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.153 0.559 -3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.326 -0.505 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.189 1.032 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.867 -0.203 0.081 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.257 1.162 -0.509 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.530 1.847 -0.698 1.00 0.00 C ATOM 1165 C LYS A 83 -9.328 3.184 -1.404 1.00 0.00 C ATOM 1166 O LYS A 83 -8.820 4.138 -0.813 1.00 0.00 O ATOM 1167 CB LYS A 83 -10.220 2.069 0.650 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.578 2.739 0.536 1.00 0.00 C ATOM 1169 CD LYS A 83 -11.904 3.552 1.777 1.00 0.00 C ATOM 1170 CE LYS A 83 -13.381 3.911 1.835 1.00 0.00 C ATOM 1171 NZ LYS A 83 -14.178 2.871 2.543 1.00 0.00 N ATOM 0 H LYS A 83 -7.755 1.432 0.337 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.163 1.217 -1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.339 1.108 1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.575 2.679 1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.592 3.388 -0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.347 1.982 0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.631 2.985 2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.306 4.463 1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.502 4.869 2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.764 4.035 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.894 3.330 3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.650 2.261 1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.548 2.295 3.137 1.00 0.00 H new ATOM 1185 N ILE A 84 -9.731 3.248 -2.668 1.00 0.00 N ATOM 1186 CA ILE A 84 -9.596 4.469 -3.452 1.00 0.00 C ATOM 1187 C ILE A 84 -10.834 5.349 -3.316 1.00 0.00 C ATOM 1188 O ILE A 84 -11.897 4.883 -2.907 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.361 4.159 -4.942 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -10.454 3.227 -5.470 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -7.987 3.539 -5.144 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -10.385 3.000 -6.964 1.00 0.00 C ATOM 0 H ILE A 84 -10.154 2.468 -3.171 1.00 0.00 H new ATOM 0 HA ILE A 84 -8.730 5.002 -3.060 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.403 5.093 -5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.378 2.266 -4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.429 3.645 -5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.836 3.326 -6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.220 4.234 -4.801 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.918 2.613 -4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.189 2.330 -7.268 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.491 3.953 -7.482 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.424 2.553 -7.220 1.00 0.00 H new ATOM 1204 N ASP A 85 -10.688 6.623 -3.664 1.00 0.00 N ATOM 1205 CA ASP A 85 -11.796 7.569 -3.584 1.00 0.00 C ATOM 1206 C ASP A 85 -12.560 7.623 -4.903 1.00 0.00 C ATOM 1207 O ASP A 85 -13.623 8.237 -4.990 1.00 0.00 O ATOM 1208 CB ASP A 85 -11.279 8.962 -3.221 1.00 0.00 C ATOM 1209 CG ASP A 85 -10.637 9.666 -4.399 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -10.479 9.025 -5.460 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -10.292 10.858 -4.262 1.00 0.00 O ATOM 0 H ASP A 85 -9.814 7.024 -4.004 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.478 7.229 -2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.105 9.567 -2.846 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.553 8.878 -2.412 1.00 0.00 H new ATOM 1216 N ARG A 86 -12.010 6.978 -5.926 1.00 0.00 N ATOM 1217 CA ARG A 86 -12.639 6.956 -7.241 1.00 0.00 C ATOM 1218 C ARG A 86 -13.170 8.337 -7.614 1.00 0.00 C ATOM 1219 O ARG A 86 -14.309 8.475 -8.059 1.00 0.00 O ATOM 1220 CB ARG A 86 -13.778 5.935 -7.268 1.00 0.00 C ATOM 1221 CG ARG A 86 -13.337 4.540 -7.677 1.00 0.00 C ATOM 1222 CD ARG A 86 -14.521 3.677 -8.083 1.00 0.00 C ATOM 1223 NE ARG A 86 -15.377 3.352 -6.945 1.00 0.00 N ATOM 1224 CZ ARG A 86 -16.610 2.873 -7.066 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -17.128 2.663 -8.268 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -17.327 2.601 -5.983 1.00 0.00 N ATOM 0 H ARG A 86 -11.131 6.464 -5.870 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.884 6.667 -7.972 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.235 5.887 -6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.548 6.280 -7.958 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.634 4.608 -8.507 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.808 4.067 -6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.107 4.198 -8.840 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.159 2.756 -8.539 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.008 3.501 -6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.579 2.869 -9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.075 2.295 -8.358 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.931 2.760 -5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.274 2.233 -6.077 1.00 0.00 H new ATOM 1240 N ALA A 87 -12.337 9.356 -7.428 1.00 0.00 N ATOM 1241 CA ALA A 87 -12.722 10.725 -7.745 1.00 0.00 C ATOM 1242 C ALA A 87 -11.828 11.308 -8.834 1.00 0.00 C ATOM 1243 O ALA A 87 -10.931 12.103 -8.553 1.00 0.00 O ATOM 1244 CB ALA A 87 -12.670 11.591 -6.496 1.00 0.00 C ATOM 0 H ALA A 87 -11.391 9.259 -7.059 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.745 10.711 -8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.960 12.611 -6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.356 11.193 -5.748 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.656 11.591 -6.095 1.00 0.00 H new ATOM 1250 N GLU A 88 -12.078 10.908 -10.077 1.00 0.00 N ATOM 1251 CA GLU A 88 -11.293 11.391 -11.207 1.00 0.00 C ATOM 1252 C GLU A 88 -11.096 12.902 -11.126 1.00 0.00 C ATOM 1253 O GLU A 88 -9.985 13.405 -11.299 1.00 0.00 O ATOM 1254 CB GLU A 88 -11.978 11.024 -12.525 1.00 0.00 C ATOM 1255 CG GLU A 88 -13.383 11.586 -12.658 1.00 0.00 C ATOM 1256 CD GLU A 88 -14.120 11.035 -13.864 1.00 0.00 C ATOM 1257 OE1 GLU A 88 -14.011 11.640 -14.951 1.00 0.00 O ATOM 1258 OE2 GLU A 88 -14.805 10.001 -13.720 1.00 0.00 O ATOM 0 H GLU A 88 -12.817 10.251 -10.327 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.314 10.912 -11.169 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.371 11.387 -13.354 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.020 9.938 -12.613 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.949 11.357 -11.755 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.330 12.672 -12.734 1.00 0.00 H new ATOM 1265 N THR A 89 -12.182 13.621 -10.862 1.00 0.00 N ATOM 1266 CA THR A 89 -12.131 15.074 -10.761 1.00 0.00 C ATOM 1267 C THR A 89 -11.642 15.512 -9.385 1.00 0.00 C ATOM 1268 O THR A 89 -12.147 16.480 -8.815 1.00 0.00 O ATOM 1269 CB THR A 89 -13.510 15.705 -11.027 1.00 0.00 C ATOM 1270 OG1 THR A 89 -14.186 14.986 -12.065 1.00 0.00 O ATOM 1271 CG2 THR A 89 -13.369 17.167 -11.426 1.00 0.00 C ATOM 0 H THR A 89 -13.108 13.220 -10.714 1.00 0.00 H new ATOM 0 HA THR A 89 -11.430 15.419 -11.521 1.00 0.00 H new ATOM 0 HB THR A 89 -14.093 15.650 -10.108 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.063 15.393 -12.227 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.356 17.591 -11.609 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.880 17.718 -10.622 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.769 17.240 -12.333 1.00 0.00 H new ATOM 1279 N ARG A 90 -10.657 14.793 -8.856 1.00 0.00 N ATOM 1280 CA ARG A 90 -10.100 15.108 -7.545 1.00 0.00 C ATOM 1281 C ARG A 90 -9.152 16.301 -7.630 1.00 0.00 C ATOM 1282 O ARG A 90 -8.040 16.262 -7.100 1.00 0.00 O ATOM 1283 CB ARG A 90 -9.362 13.895 -6.977 1.00 0.00 C ATOM 1284 CG ARG A 90 -8.312 13.326 -7.916 1.00 0.00 C ATOM 1285 CD ARG A 90 -7.163 12.690 -7.148 1.00 0.00 C ATOM 1286 NE ARG A 90 -5.939 12.635 -7.942 1.00 0.00 N ATOM 1287 CZ ARG A 90 -5.129 13.673 -8.117 1.00 0.00 C ATOM 1288 NH1 ARG A 90 -5.412 14.841 -7.556 1.00 0.00 N ATOM 1289 NH2 ARG A 90 -4.032 13.544 -8.853 1.00 0.00 N ATOM 0 H ARG A 90 -10.228 13.989 -9.314 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.924 15.367 -6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.884 14.178 -6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.088 13.116 -6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.770 12.583 -8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.928 14.119 -8.557 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.978 13.258 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.444 11.682 -6.844 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.692 11.751 -8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.253 14.944 -6.989 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.788 15.637 -7.692 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.810 12.647 -9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.411 14.342 -8.987 1.00 0.00 H new ATOM 1303 N LEU A 91 -9.598 17.358 -8.298 1.00 0.00 N ATOM 1304 CA LEU A 91 -8.789 18.563 -8.452 1.00 0.00 C ATOM 1305 C LEU A 91 -9.235 19.646 -7.476 1.00 0.00 C ATOM 1306 O LEU A 91 -8.433 20.158 -6.694 1.00 0.00 O ATOM 1307 CB LEU A 91 -8.884 19.083 -9.888 1.00 0.00 C ATOM 1308 CG LEU A 91 -7.659 19.834 -10.411 1.00 0.00 C ATOM 1309 CD1 LEU A 91 -7.545 19.684 -11.920 1.00 0.00 C ATOM 1310 CD2 LEU A 91 -7.728 21.304 -10.023 1.00 0.00 C ATOM 0 H LEU A 91 -10.515 17.406 -8.742 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.753 18.307 -8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.076 18.237 -10.548 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.748 19.744 -9.958 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.769 19.400 -9.955 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.668 20.225 -12.274 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.448 18.629 -12.174 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.438 20.091 -12.395 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.848 21.822 -10.404 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.626 21.751 -10.450 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.760 21.393 -8.937 1.00 0.00 H new ATOM 1322 N TRP A 92 -10.517 19.989 -7.526 1.00 0.00 N ATOM 1323 CA TRP A 92 -11.069 21.011 -6.643 1.00 0.00 C ATOM 1324 C TRP A 92 -12.306 20.493 -5.918 1.00 0.00 C ATOM 1325 O TRP A 92 -13.236 21.251 -5.639 1.00 0.00 O ATOM 1326 CB TRP A 92 -11.419 22.268 -7.441 1.00 0.00 C ATOM 1327 CG TRP A 92 -11.286 23.532 -6.646 1.00 0.00 C ATOM 1328 CD1 TRP A 92 -12.095 23.948 -5.627 1.00 0.00 C ATOM 1329 CD2 TRP A 92 -10.287 24.545 -6.807 1.00 0.00 C ATOM 1330 NE1 TRP A 92 -11.658 25.158 -5.145 1.00 0.00 N ATOM 1331 CE2 TRP A 92 -10.550 25.545 -5.851 1.00 0.00 C ATOM 1332 CE3 TRP A 92 -9.194 24.703 -7.664 1.00 0.00 C ATOM 1333 CZ2 TRP A 92 -9.761 26.686 -5.731 1.00 0.00 C ATOM 1334 CZ3 TRP A 92 -8.412 25.836 -7.544 1.00 0.00 C ATOM 1335 CH2 TRP A 92 -8.698 26.815 -6.583 1.00 0.00 C ATOM 0 H TRP A 92 -11.193 19.575 -8.168 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.313 21.261 -5.899 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -10.771 22.327 -8.315 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -12.442 22.184 -7.808 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -12.952 23.406 -5.255 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -12.089 25.683 -4.384 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -8.965 23.953 -8.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -9.980 27.442 -4.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.566 25.969 -8.202 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -8.067 27.689 -6.513 1.00 0.00 H new ATOM 1346 N SER A 93 -12.312 19.199 -5.616 1.00 0.00 N ATOM 1347 CA SER A 93 -13.437 18.580 -4.927 1.00 0.00 C ATOM 1348 C SER A 93 -13.453 18.971 -3.452 1.00 0.00 C ATOM 1349 O SER A 93 -12.499 18.736 -2.711 1.00 0.00 O ATOM 1350 CB SER A 93 -13.370 17.057 -5.061 1.00 0.00 C ATOM 1351 OG SER A 93 -13.746 16.643 -6.363 1.00 0.00 O ATOM 0 H SER A 93 -11.550 18.559 -5.838 1.00 0.00 H new ATOM 0 HA SER A 93 -14.356 18.939 -5.391 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.358 16.714 -4.845 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.028 16.595 -4.325 1.00 0.00 H new ATOM 0 HG SER A 93 -12.973 16.707 -6.962 1.00 0.00 H new ATOM 1357 N PRO A 94 -14.563 19.584 -3.015 1.00 0.00 N ATOM 1358 CA PRO A 94 -14.732 20.021 -1.626 1.00 0.00 C ATOM 1359 C PRO A 94 -14.882 18.848 -0.663 1.00 0.00 C ATOM 1360 O PRO A 94 -14.571 18.963 0.522 1.00 0.00 O ATOM 1361 CB PRO A 94 -16.020 20.847 -1.668 1.00 0.00 C ATOM 1362 CG PRO A 94 -16.776 20.311 -2.835 1.00 0.00 C ATOM 1363 CD PRO A 94 -15.740 19.896 -3.844 1.00 0.00 C ATOM 0 HA PRO A 94 -13.866 20.575 -1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -16.589 20.740 -0.745 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -15.806 21.909 -1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -17.397 19.464 -2.542 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -17.443 21.067 -3.249 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -16.065 19.031 -4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.530 20.694 -4.556 1.00 0.00 H new ATOM 1371 N GLN A 95 -15.361 17.721 -1.181 1.00 0.00 N ATOM 1372 CA GLN A 95 -15.552 16.528 -0.366 1.00 0.00 C ATOM 1373 C GLN A 95 -14.808 15.337 -0.961 1.00 0.00 C ATOM 1374 O GLN A 95 -14.137 15.460 -1.985 1.00 0.00 O ATOM 1375 CB GLN A 95 -17.042 16.203 -0.241 1.00 0.00 C ATOM 1376 CG GLN A 95 -17.722 15.943 -1.576 1.00 0.00 C ATOM 1377 CD GLN A 95 -19.025 15.183 -1.429 1.00 0.00 C ATOM 1378 OE1 GLN A 95 -19.033 13.956 -1.329 1.00 0.00 O ATOM 1379 NE2 GLN A 95 -20.136 15.909 -1.414 1.00 0.00 N ATOM 0 H GLN A 95 -15.623 17.610 -2.160 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.146 16.728 0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -17.162 15.326 0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -17.545 17.031 0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -17.915 16.894 -2.073 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -17.047 15.378 -2.219 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -20.083 16.924 -1.500 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -21.043 15.452 -1.317 1.00 0.00 H new ATOM 1388 N VAL A 96 -14.931 14.183 -0.311 1.00 0.00 N ATOM 1389 CA VAL A 96 -14.271 12.970 -0.777 1.00 0.00 C ATOM 1390 C VAL A 96 -14.731 11.754 0.020 1.00 0.00 C ATOM 1391 O VAL A 96 -14.951 11.837 1.228 1.00 0.00 O ATOM 1392 CB VAL A 96 -12.739 13.089 -0.672 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -12.314 13.245 0.780 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -12.067 11.881 -1.306 1.00 0.00 C ATOM 0 H VAL A 96 -15.482 14.064 0.539 1.00 0.00 H new ATOM 0 HA VAL A 96 -14.547 12.841 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.423 13.979 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.229 13.328 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.768 14.144 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.641 12.375 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.985 11.981 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -12.388 10.975 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.346 11.820 -2.358 1.00 0.00 H new ATOM 1404 N SER A 97 -14.875 10.624 -0.665 1.00 0.00 N ATOM 1405 CA SER A 97 -15.312 9.390 -0.022 1.00 0.00 C ATOM 1406 C SER A 97 -14.758 9.291 1.396 1.00 0.00 C ATOM 1407 O SER A 97 -13.567 9.053 1.593 1.00 0.00 O ATOM 1408 CB SER A 97 -14.867 8.178 -0.842 1.00 0.00 C ATOM 1409 OG SER A 97 -15.386 6.976 -0.298 1.00 0.00 O ATOM 0 H SER A 97 -14.695 10.537 -1.665 1.00 0.00 H new ATOM 0 HA SER A 97 -16.401 9.403 0.032 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.203 8.289 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.778 8.130 -0.865 1.00 0.00 H new ATOM 0 HG SER A 97 -14.953 6.209 -0.727 1.00 0.00 H new ATOM 1415 N SER A 98 -15.632 9.475 2.380 1.00 0.00 N ATOM 1416 CA SER A 98 -15.231 9.410 3.780 1.00 0.00 C ATOM 1417 C SER A 98 -14.818 7.992 4.162 1.00 0.00 C ATOM 1418 O SER A 98 -13.651 7.729 4.449 1.00 0.00 O ATOM 1419 CB SER A 98 -16.374 9.881 4.682 1.00 0.00 C ATOM 1420 OG SER A 98 -16.404 11.295 4.772 1.00 0.00 O ATOM 0 H SER A 98 -16.622 9.670 2.234 1.00 0.00 H new ATOM 0 HA SER A 98 -14.374 10.069 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 98 -17.324 9.518 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 98 -16.256 9.453 5.677 1.00 0.00 H new ATOM 0 HG SER A 98 -17.144 11.570 5.352 1.00 0.00 H new ATOM 1426 N GLY A 99 -15.786 7.080 4.163 1.00 0.00 N ATOM 1427 CA GLY A 99 -15.505 5.700 4.511 1.00 0.00 C ATOM 1428 C GLY A 99 -15.011 5.550 5.936 1.00 0.00 C ATOM 1429 O GLY A 99 -13.858 5.195 6.182 1.00 0.00 O ATOM 0 H GLY A 99 -16.760 7.273 3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.408 5.104 4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.756 5.301 3.826 1.00 0.00 H new ATOM 1433 N PRO A 100 -15.895 5.827 6.905 1.00 0.00 N ATOM 1434 CA PRO A 100 -15.565 5.730 8.330 1.00 0.00 C ATOM 1435 C PRO A 100 -15.373 4.287 8.783 1.00 0.00 C ATOM 1436 O PRO A 100 -15.552 3.352 8.002 1.00 0.00 O ATOM 1437 CB PRO A 100 -16.783 6.349 9.020 1.00 0.00 C ATOM 1438 CG PRO A 100 -17.901 6.162 8.054 1.00 0.00 C ATOM 1439 CD PRO A 100 -17.287 6.257 6.685 1.00 0.00 C ATOM 0 HA PRO A 100 -14.625 6.230 8.565 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -16.993 5.856 9.969 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -16.621 7.405 9.238 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -18.384 5.196 8.199 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -18.667 6.925 8.192 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -17.798 5.613 5.970 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -17.337 7.272 6.292 1.00 0.00 H new ATOM 1447 N SER A 101 -15.007 4.112 10.049 1.00 0.00 N ATOM 1448 CA SER A 101 -14.788 2.782 10.605 1.00 0.00 C ATOM 1449 C SER A 101 -14.548 2.855 12.110 1.00 0.00 C ATOM 1450 O SER A 101 -13.553 3.420 12.564 1.00 0.00 O ATOM 1451 CB SER A 101 -13.596 2.110 9.919 1.00 0.00 C ATOM 1452 OG SER A 101 -12.433 2.913 10.016 1.00 0.00 O ATOM 0 H SER A 101 -14.856 4.875 10.709 1.00 0.00 H new ATOM 0 HA SER A 101 -15.684 2.188 10.426 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.410 1.138 10.376 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.831 1.929 8.870 1.00 0.00 H new ATOM 0 HG SER A 101 -12.481 3.462 10.826 1.00 0.00 H new ATOM 1458 N SER A 102 -15.467 2.279 12.878 1.00 0.00 N ATOM 1459 CA SER A 102 -15.359 2.282 14.332 1.00 0.00 C ATOM 1460 C SER A 102 -14.131 1.499 14.787 1.00 0.00 C ATOM 1461 O SER A 102 -13.598 0.673 14.047 1.00 0.00 O ATOM 1462 CB SER A 102 -16.620 1.684 14.959 1.00 0.00 C ATOM 1463 OG SER A 102 -16.696 1.989 16.341 1.00 0.00 O ATOM 0 H SER A 102 -16.295 1.804 12.518 1.00 0.00 H new ATOM 0 HA SER A 102 -15.252 3.315 14.662 1.00 0.00 H new ATOM 0 HB2 SER A 102 -17.502 2.071 14.449 1.00 0.00 H new ATOM 0 HB3 SER A 102 -16.621 0.603 14.821 1.00 0.00 H new ATOM 0 HG SER A 102 -17.511 1.597 16.718 1.00 0.00 H new ATOM 1469 N GLY A 103 -13.687 1.765 16.011 1.00 0.00 N ATOM 1470 CA GLY A 103 -12.525 1.079 16.545 1.00 0.00 C ATOM 1471 C GLY A 103 -12.769 0.518 17.932 1.00 0.00 C ATOM 1472 O GLY A 103 -12.811 -0.699 18.118 1.00 0.00 O ATOM 0 H GLY A 103 -14.111 2.444 16.643 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -12.245 0.268 15.873 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.683 1.770 16.579 1.00 0.00 H new TER 1476 GLY A 103