USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 959 hydrogens (13 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 NoAdj-H: B 2 PTR HN2 : B 2 PTR N : B 1 THR C :(H bumps) USER MOD Set 1.1: A 53 CYS SG : rot -105:sc= 0.126! USER MOD Set 1.2: A 62 HIS : no HD1:sc= -4.87! C(o=-4.7!,f=-20!) USER MOD Set 2.1: A 36 ASN : amide:sc= -12! C(o=-21!,f=-20!) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -9.2! C(o=-21!,f=-31!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 53:sc= 0.295 USER MOD Single : A 10 HIS : no HE2:sc= -0.549 X(o=-0.55,f=-0.75) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -116:sc= -3.77! (180deg=-8.28!) USER MOD Single : A 17 HIS : no HE2:sc= -6.08! C(o=-6.1!,f=-7.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 14:sc= -13.7! USER MOD Single : A 27 GLN : amide:sc= -0.695 K(o=-0.7,f=-1.7!) USER MOD Single : A 33 SER OG : rot -71:sc= -3.25! USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= -1.31 (180deg=-2.03!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -4.59! C(o=-4.6!,f=-7.2!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= -1.94 USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.114) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.0869 USER MOD Single : A 67 LYS NZ :NH3+ -118:sc= -0.0696 (180deg=-0.476) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 146:sc= -0.282 (180deg=-1.79) USER MOD Single : A 74 SER OG : rot 34:sc= 0.297! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0665 USER MOD Single : A 86 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.34) USER MOD Single : A 90 HIS : no HD1:sc= -0.786 X(o=-0.79,f=-0.45) USER MOD Single : A 91 TYR OH : rot 79:sc= -0.715 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 157:sc= -0.863! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 28:sc= 0.396 USER MOD Single : A 106 CYS SG : rot 110:sc= -14.1! USER MOD Single : A 107 GLN : amide:sc= -5.75! C(o=-5.7!,f=-9.8!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 1.16 (180deg=1.16) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc=-0.00699 X(o=-0.007,f=0) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.835 -12.457 -2.420 1.00 0.00 N ATOM 2 CA GLY A 1 -21.119 -12.181 -3.823 1.00 0.00 C ATOM 3 C GLY A 1 -20.914 -13.413 -4.708 1.00 0.00 C ATOM 4 O GLY A 1 -21.483 -14.474 -4.482 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.987 -11.595 -1.859 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.468 -13.208 -2.079 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.847 -12.765 -2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.147 -11.832 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.473 -11.375 -4.171 1.00 0.00 H new ATOM 10 N SER A 2 -20.063 -13.193 -5.725 1.00 0.00 N ATOM 11 CA SER A 2 -19.779 -14.283 -6.641 1.00 0.00 C ATOM 12 C SER A 2 -18.915 -15.328 -5.935 1.00 0.00 C ATOM 13 O SER A 2 -19.230 -16.511 -5.899 1.00 0.00 O ATOM 14 CB SER A 2 -19.062 -13.738 -7.874 1.00 0.00 C ATOM 15 OG SER A 2 -18.855 -14.757 -8.819 1.00 0.00 O ATOM 0 H SER A 2 -19.586 -12.312 -5.919 1.00 0.00 H new ATOM 0 HA SER A 2 -20.710 -14.754 -6.957 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.652 -12.937 -8.319 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.105 -13.305 -7.583 1.00 0.00 H new ATOM 0 HG SER A 2 -18.396 -14.388 -9.602 1.00 0.00 H new ATOM 21 N ARG A 3 -17.809 -14.805 -5.376 1.00 0.00 N ATOM 22 CA ARG A 3 -16.900 -15.692 -4.670 1.00 0.00 C ATOM 23 C ARG A 3 -16.520 -15.060 -3.328 1.00 0.00 C ATOM 24 O ARG A 3 -17.285 -14.315 -2.727 1.00 0.00 O ATOM 25 CB ARG A 3 -15.660 -15.937 -5.529 1.00 0.00 C ATOM 26 CG ARG A 3 -14.916 -17.201 -5.096 1.00 0.00 C ATOM 27 CD ARG A 3 -13.401 -17.022 -5.192 1.00 0.00 C ATOM 28 NE ARG A 3 -12.844 -17.941 -6.167 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.211 -17.817 -7.455 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.074 -16.870 -7.815 1.00 0.00 N ATOM 31 NH2 ARG A 3 -12.711 -18.642 -8.371 1.00 0.00 N ATOM 0 H ARG A 3 -17.541 -13.821 -5.401 1.00 0.00 H new ATOM 0 HA ARG A 3 -17.382 -16.651 -4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -15.953 -16.027 -6.575 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.992 -15.079 -5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.189 -17.452 -4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.225 -18.038 -5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.167 -15.996 -5.475 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.945 -17.196 -4.217 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.187 -18.667 -5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.458 -16.237 -7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.351 -16.777 -8.792 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.050 -19.368 -8.096 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -12.989 -18.548 -9.348 1.00 0.00 H new ATOM 45 N ARG A 4 -15.290 -15.406 -2.905 1.00 0.00 N ATOM 46 CA ARG A 4 -14.812 -14.868 -1.643 1.00 0.00 C ATOM 47 C ARG A 4 -13.649 -13.914 -1.905 1.00 0.00 C ATOM 48 O ARG A 4 -12.623 -14.282 -2.464 1.00 0.00 O ATOM 49 CB ARG A 4 -14.370 -16.012 -0.733 1.00 0.00 C ATOM 50 CG ARG A 4 -13.958 -15.502 0.650 1.00 0.00 C ATOM 51 CD ARG A 4 -15.157 -14.959 1.426 1.00 0.00 C ATOM 52 NE ARG A 4 -14.751 -14.526 2.750 1.00 0.00 N ATOM 53 CZ ARG A 4 -15.690 -14.421 3.710 1.00 0.00 C ATOM 54 NH1 ARG A 4 -16.957 -14.728 3.440 1.00 0.00 N ATOM 55 NH2 ARG A 4 -15.352 -14.013 4.930 1.00 0.00 N ATOM 0 H ARG A 4 -14.646 -16.025 -3.398 1.00 0.00 H new ATOM 0 HA ARG A 4 -15.614 -14.319 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -15.183 -16.731 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -13.534 -16.540 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -13.494 -16.311 1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -13.208 -14.718 0.542 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -15.601 -14.124 0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -15.924 -15.729 1.508 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.775 -14.306 2.950 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -17.217 -15.043 2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -17.667 -14.648 4.168 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.381 -13.779 5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.063 -13.934 5.657 1.00 0.00 H new ATOM 69 N ALA A 5 -13.882 -12.665 -1.463 1.00 0.00 N ATOM 70 CA ALA A 5 -12.854 -11.659 -1.650 1.00 0.00 C ATOM 71 C ALA A 5 -12.821 -10.735 -0.430 1.00 0.00 C ATOM 72 O ALA A 5 -12.157 -11.003 0.564 1.00 0.00 O ATOM 73 CB ALA A 5 -13.138 -10.871 -2.928 1.00 0.00 C ATOM 0 H ALA A 5 -14.733 -12.350 -0.998 1.00 0.00 H new ATOM 0 HA ALA A 5 -11.878 -12.135 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -12.365 -10.115 -3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -13.141 -11.550 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -14.111 -10.385 -2.847 1.00 0.00 H new ATOM 79 N SER A 6 -13.581 -9.633 -0.575 1.00 0.00 N ATOM 80 CA SER A 6 -13.634 -8.679 0.519 1.00 0.00 C ATOM 81 C SER A 6 -14.085 -9.398 1.789 1.00 0.00 C ATOM 82 O SER A 6 -14.586 -10.515 1.756 1.00 0.00 O ATOM 83 CB SER A 6 -14.602 -7.552 0.165 1.00 0.00 C ATOM 84 OG SER A 6 -14.235 -6.948 -1.049 1.00 0.00 O ATOM 0 H SER A 6 -14.136 -9.399 -1.398 1.00 0.00 H new ATOM 0 HA SER A 6 -12.647 -8.248 0.689 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.615 -7.946 0.090 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.608 -6.807 0.961 1.00 0.00 H new ATOM 0 HG SER A 6 -14.867 -6.230 -1.261 1.00 0.00 H new ATOM 90 N VAL A 7 -13.871 -8.679 2.908 1.00 0.00 N ATOM 91 CA VAL A 7 -14.253 -9.247 4.192 1.00 0.00 C ATOM 92 C VAL A 7 -13.914 -10.740 4.216 1.00 0.00 C ATOM 93 O VAL A 7 -14.768 -11.598 4.399 1.00 0.00 O ATOM 94 CB VAL A 7 -15.745 -9.019 4.423 1.00 0.00 C ATOM 95 CG1 VAL A 7 -16.571 -9.667 3.311 1.00 0.00 C ATOM 96 CG2 VAL A 7 -16.167 -9.566 5.788 1.00 0.00 C ATOM 0 H VAL A 7 -13.455 -7.748 2.942 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.700 -8.759 4.994 1.00 0.00 H new ATOM 0 HB VAL A 7 -15.931 -7.945 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -17.631 -9.492 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -16.293 -9.232 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.378 -10.740 3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -17.233 -9.394 5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.962 -10.636 5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.606 -9.058 6.573 1.00 0.00 H new ATOM 106 N GLY A 8 -12.606 -10.981 4.017 1.00 0.00 N ATOM 107 CA GLY A 8 -12.144 -12.355 4.013 1.00 0.00 C ATOM 108 C GLY A 8 -10.662 -12.432 4.386 1.00 0.00 C ATOM 109 O GLY A 8 -10.290 -12.519 5.550 1.00 0.00 O ATOM 0 H GLY A 8 -11.890 -10.271 3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.732 -12.943 4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.298 -12.792 3.027 1.00 0.00 H new ATOM 113 N SER A 9 -9.850 -12.393 3.314 1.00 0.00 N ATOM 114 CA SER A 9 -8.414 -12.457 3.526 1.00 0.00 C ATOM 115 C SER A 9 -7.871 -11.046 3.753 1.00 0.00 C ATOM 116 O SER A 9 -8.609 -10.068 3.785 1.00 0.00 O ATOM 117 CB SER A 9 -7.750 -13.101 2.313 1.00 0.00 C ATOM 118 OG SER A 9 -8.047 -12.379 1.145 1.00 0.00 O ATOM 0 H SER A 9 -10.154 -12.321 2.343 1.00 0.00 H new ATOM 0 HA SER A 9 -8.194 -13.062 4.406 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.671 -13.138 2.459 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.093 -14.130 2.208 1.00 0.00 H new ATOM 0 HG SER A 9 -7.827 -11.434 1.280 1.00 0.00 H new ATOM 124 N HIS A 10 -6.533 -11.013 3.903 1.00 0.00 N ATOM 125 CA HIS A 10 -5.886 -9.726 4.134 1.00 0.00 C ATOM 126 C HIS A 10 -4.384 -9.921 4.395 1.00 0.00 C ATOM 127 O HIS A 10 -3.562 -9.060 4.106 1.00 0.00 O ATOM 128 CB HIS A 10 -6.547 -9.044 5.334 1.00 0.00 C ATOM 129 CG HIS A 10 -6.733 -7.573 5.047 1.00 0.00 C ATOM 130 ND1 HIS A 10 -6.488 -6.592 5.942 1.00 0.00 N ATOM 131 CD2 HIS A 10 -7.179 -6.975 3.854 1.00 0.00 C ATOM 132 CE1 HIS A 10 -6.772 -5.434 5.324 1.00 0.00 C ATOM 133 NE2 HIS A 10 -7.191 -5.638 4.063 1.00 0.00 N ATOM 0 H HIS A 10 -5.913 -11.822 3.870 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.999 -9.099 3.249 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.511 -9.508 5.542 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.931 -9.175 6.224 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.153 -6.708 6.899 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.459 -7.486 2.944 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.676 -4.461 5.783 1.00 0.00 H new ATOM 141 N GLU A 11 -4.089 -11.109 4.958 1.00 0.00 N ATOM 142 CA GLU A 11 -2.719 -11.430 5.274 1.00 0.00 C ATOM 143 C GLU A 11 -1.823 -11.221 4.058 1.00 0.00 C ATOM 144 O GLU A 11 -0.841 -10.490 4.089 1.00 0.00 O ATOM 145 CB GLU A 11 -2.681 -12.884 5.711 1.00 0.00 C ATOM 146 CG GLU A 11 -1.889 -13.061 7.000 1.00 0.00 C ATOM 147 CD GLU A 11 -2.007 -14.504 7.492 1.00 0.00 C ATOM 148 OE1 GLU A 11 -2.936 -15.193 7.073 1.00 0.00 O ATOM 149 OE2 GLU A 11 -1.170 -14.923 8.290 1.00 0.00 O ATOM 0 H GLU A 11 -4.771 -11.831 5.191 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.352 -10.779 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.698 -13.248 5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.234 -13.490 4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.842 -12.810 6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.261 -12.377 7.762 1.00 0.00 H new ATOM 156 N LYS A 12 -2.236 -11.920 2.991 1.00 0.00 N ATOM 157 CA LYS A 12 -1.474 -11.839 1.761 1.00 0.00 C ATOM 158 C LYS A 12 0.022 -11.938 2.096 1.00 0.00 C ATOM 159 O LYS A 12 0.418 -12.717 2.955 1.00 0.00 O ATOM 160 CB LYS A 12 -1.845 -10.543 1.058 1.00 0.00 C ATOM 161 CG LYS A 12 -3.130 -10.703 0.242 1.00 0.00 C ATOM 162 CD LYS A 12 -3.042 -11.874 -0.740 1.00 0.00 C ATOM 163 CE LYS A 12 -4.125 -11.785 -1.815 1.00 0.00 C ATOM 164 NZ LYS A 12 -3.940 -12.771 -2.873 1.00 0.00 N ATOM 0 H LYS A 12 -3.060 -12.521 2.962 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.703 -12.661 1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.976 -9.751 1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.030 -10.236 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.972 -10.858 0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.328 -9.783 -0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.059 -11.882 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.143 -12.814 -0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.103 -11.929 -1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.121 -10.785 -2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.699 -12.671 -3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.019 -12.619 -3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.970 -13.727 -2.465 1.00 0.00 H new ATOM 178 N MET A 13 0.835 -11.122 1.390 1.00 0.00 N ATOM 179 CA MET A 13 2.255 -11.209 1.684 1.00 0.00 C ATOM 180 C MET A 13 3.105 -10.221 0.869 1.00 0.00 C ATOM 181 O MET A 13 3.946 -9.518 1.416 1.00 0.00 O ATOM 182 CB MET A 13 2.722 -12.636 1.418 1.00 0.00 C ATOM 183 CG MET A 13 3.593 -13.166 2.559 1.00 0.00 C ATOM 184 SD MET A 13 2.581 -13.701 3.949 1.00 0.00 S ATOM 185 CE MET A 13 2.818 -12.265 5.009 1.00 0.00 C ATOM 0 H MET A 13 0.553 -10.453 0.674 1.00 0.00 H new ATOM 0 HA MET A 13 2.392 -10.940 2.731 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.856 -13.285 1.289 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.285 -12.667 0.485 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.197 -14.000 2.202 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.284 -12.388 2.885 1.00 0.00 H new ATOM 0 HE1 MET A 13 3.339 -12.566 5.918 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.410 -11.517 4.482 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.848 -11.842 5.270 1.00 0.00 H new ATOM 195 N PRO A 14 2.863 -10.193 -0.468 1.00 0.00 N ATOM 196 CA PRO A 14 3.633 -9.361 -1.366 1.00 0.00 C ATOM 197 C PRO A 14 3.167 -7.923 -1.324 1.00 0.00 C ATOM 198 O PRO A 14 3.783 -7.046 -0.732 1.00 0.00 O ATOM 199 CB PRO A 14 3.351 -9.919 -2.760 1.00 0.00 C ATOM 200 CG PRO A 14 2.040 -10.701 -2.637 1.00 0.00 C ATOM 201 CD PRO A 14 1.801 -10.922 -1.139 1.00 0.00 C ATOM 0 HA PRO A 14 4.689 -9.372 -1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.261 -9.116 -3.492 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.162 -10.565 -3.094 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.215 -10.146 -3.083 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.106 -11.653 -3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.820 -10.553 -0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.833 -11.982 -0.888 1.00 0.00 H new ATOM 209 N TRP A 15 2.027 -7.756 -1.999 1.00 0.00 N ATOM 210 CA TRP A 15 1.463 -6.421 -2.067 1.00 0.00 C ATOM 211 C TRP A 15 0.947 -5.961 -0.696 1.00 0.00 C ATOM 212 O TRP A 15 0.279 -4.943 -0.589 1.00 0.00 O ATOM 213 CB TRP A 15 0.341 -6.393 -3.107 1.00 0.00 C ATOM 214 CG TRP A 15 -0.872 -7.143 -2.606 1.00 0.00 C ATOM 215 CD1 TRP A 15 -1.129 -8.497 -2.807 1.00 0.00 C ATOM 216 CD2 TRP A 15 -1.973 -6.607 -1.865 1.00 0.00 C ATOM 217 NE1 TRP A 15 -2.324 -8.823 -2.231 1.00 0.00 N ATOM 218 CE2 TRP A 15 -2.882 -7.685 -1.637 1.00 0.00 C ATOM 219 CE3 TRP A 15 -2.258 -5.333 -1.387 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -4.063 -7.474 -0.935 1.00 0.00 C ATOM 221 CZ3 TRP A 15 -3.460 -5.109 -0.668 1.00 0.00 C ATOM 222 CH2 TRP A 15 -4.363 -6.180 -0.443 1.00 0.00 C ATOM 0 H TRP A 15 1.505 -8.489 -2.480 1.00 0.00 H new ATOM 0 HA TRP A 15 2.248 -5.727 -2.367 1.00 0.00 H new ATOM 0 HB2 TRP A 15 0.070 -5.361 -3.329 1.00 0.00 H new ATOM 0 HB3 TRP A 15 0.691 -6.838 -4.038 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -0.484 -9.183 -3.336 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -2.745 -9.752 -2.233 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.569 -4.520 -1.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.748 -8.292 -0.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.688 -4.123 -0.292 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.279 -6.009 0.103 1.00 0.00 H new ATOM 233 N PHE A 16 1.309 -6.745 0.345 1.00 0.00 N ATOM 234 CA PHE A 16 0.854 -6.367 1.657 1.00 0.00 C ATOM 235 C PHE A 16 2.059 -5.892 2.479 1.00 0.00 C ATOM 236 O PHE A 16 2.871 -5.089 2.035 1.00 0.00 O ATOM 237 CB PHE A 16 0.133 -7.549 2.315 1.00 0.00 C ATOM 238 CG PHE A 16 -0.659 -7.093 3.507 1.00 0.00 C ATOM 239 CD1 PHE A 16 -1.525 -5.976 3.411 1.00 0.00 C ATOM 240 CD2 PHE A 16 -0.517 -7.753 4.750 1.00 0.00 C ATOM 241 CE1 PHE A 16 -2.234 -5.525 4.546 1.00 0.00 C ATOM 242 CE2 PHE A 16 -1.226 -7.303 5.885 1.00 0.00 C ATOM 243 CZ PHE A 16 -2.086 -6.188 5.784 1.00 0.00 C ATOM 0 H PHE A 16 1.880 -7.588 0.290 1.00 0.00 H new ATOM 0 HA PHE A 16 0.139 -5.547 1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.530 -8.025 1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.861 -8.300 2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.643 -5.467 2.466 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.139 -8.607 4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.891 -4.671 4.467 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.110 -7.812 6.831 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.629 -5.843 6.651 1.00 0.00 H new ATOM 253 N HIS A 17 2.110 -6.446 3.693 1.00 0.00 N ATOM 254 CA HIS A 17 3.176 -6.084 4.598 1.00 0.00 C ATOM 255 C HIS A 17 3.319 -7.139 5.722 1.00 0.00 C ATOM 256 O HIS A 17 4.266 -7.127 6.493 1.00 0.00 O ATOM 257 CB HIS A 17 2.838 -4.683 5.129 1.00 0.00 C ATOM 258 CG HIS A 17 2.967 -4.586 6.636 1.00 0.00 C ATOM 259 ND1 HIS A 17 3.881 -3.829 7.278 1.00 0.00 N ATOM 260 CD2 HIS A 17 2.180 -5.237 7.599 1.00 0.00 C ATOM 261 CE1 HIS A 17 3.664 -4.008 8.593 1.00 0.00 C ATOM 262 NE2 HIS A 17 2.641 -4.854 8.813 1.00 0.00 N ATOM 0 H HIS A 17 1.441 -7.126 4.054 1.00 0.00 H new ATOM 0 HA HIS A 17 4.145 -6.062 4.100 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.499 -3.952 4.663 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.820 -4.423 4.837 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.595 -3.238 6.851 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.362 -5.915 7.408 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.239 -3.533 9.374 1.00 0.00 H new ATOM 270 N GLY A 18 2.307 -8.022 5.768 1.00 0.00 N ATOM 271 CA GLY A 18 2.303 -9.051 6.793 1.00 0.00 C ATOM 272 C GLY A 18 3.680 -9.714 6.998 1.00 0.00 C ATOM 273 O GLY A 18 3.952 -10.298 8.040 1.00 0.00 O ATOM 0 H GLY A 18 1.513 -8.038 5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.974 -8.614 7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.575 -9.817 6.526 1.00 0.00 H new ATOM 277 N LYS A 19 4.524 -9.588 5.954 1.00 0.00 N ATOM 278 CA LYS A 19 5.847 -10.196 6.063 1.00 0.00 C ATOM 279 C LYS A 19 6.939 -9.118 6.016 1.00 0.00 C ATOM 280 O LYS A 19 8.003 -9.308 5.443 1.00 0.00 O ATOM 281 CB LYS A 19 6.035 -11.196 4.923 1.00 0.00 C ATOM 282 CG LYS A 19 7.274 -12.070 5.127 1.00 0.00 C ATOM 283 CD LYS A 19 7.104 -13.020 6.312 1.00 0.00 C ATOM 284 CE LYS A 19 8.188 -14.099 6.325 1.00 0.00 C ATOM 285 NZ LYS A 19 8.013 -15.054 7.412 1.00 0.00 N ATOM 0 H LYS A 19 4.324 -9.101 5.081 1.00 0.00 H new ATOM 0 HA LYS A 19 5.927 -10.716 7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.152 -11.831 4.848 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.122 -10.658 3.979 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.466 -12.647 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.145 -11.435 5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.142 -12.453 7.242 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.122 -13.490 6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.178 -14.631 5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.166 -13.626 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.772 -15.764 7.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.049 -14.554 8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.092 -15.527 7.313 1.00 0.00 H new ATOM 299 N ILE A 20 6.607 -7.986 6.668 1.00 0.00 N ATOM 300 CA ILE A 20 7.563 -6.887 6.693 1.00 0.00 C ATOM 301 C ILE A 20 7.099 -5.821 7.680 1.00 0.00 C ATOM 302 O ILE A 20 5.987 -5.851 8.194 1.00 0.00 O ATOM 303 CB ILE A 20 7.683 -6.273 5.303 1.00 0.00 C ATOM 304 CG1 ILE A 20 6.313 -6.207 4.634 1.00 0.00 C ATOM 305 CG2 ILE A 20 8.660 -7.065 4.440 1.00 0.00 C ATOM 306 CD1 ILE A 20 6.335 -5.291 3.413 1.00 0.00 C ATOM 0 H ILE A 20 5.728 -7.821 7.158 1.00 0.00 H new ATOM 0 HA ILE A 20 8.535 -7.270 7.004 1.00 0.00 H new ATOM 0 HB ILE A 20 8.070 -5.260 5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.004 -7.208 4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.574 -5.846 5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.728 -6.607 3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.644 -7.064 4.909 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.307 -8.092 4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.344 -5.266 2.959 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.620 -4.284 3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.056 -5.668 2.688 1.00 0.00 H new ATOM 318 N SER A 21 8.033 -4.880 7.906 1.00 0.00 N ATOM 319 CA SER A 21 7.725 -3.797 8.816 1.00 0.00 C ATOM 320 C SER A 21 7.135 -2.625 8.030 1.00 0.00 C ATOM 321 O SER A 21 5.930 -2.474 7.874 1.00 0.00 O ATOM 322 CB SER A 21 8.996 -3.379 9.547 1.00 0.00 C ATOM 323 OG SER A 21 9.343 -4.326 10.524 1.00 0.00 O ATOM 0 H SER A 21 8.962 -4.856 7.486 1.00 0.00 H new ATOM 0 HA SER A 21 6.991 -4.122 9.553 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.813 -3.270 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.849 -2.405 10.014 1.00 0.00 H new ATOM 0 HG SER A 21 10.162 -4.040 10.980 1.00 0.00 H new ATOM 329 N ARG A 22 8.091 -1.821 7.558 1.00 0.00 N ATOM 330 CA ARG A 22 7.746 -0.647 6.775 1.00 0.00 C ATOM 331 C ARG A 22 9.013 -0.209 6.044 1.00 0.00 C ATOM 332 O ARG A 22 9.010 0.127 4.865 1.00 0.00 O ATOM 333 CB ARG A 22 7.234 0.462 7.691 1.00 0.00 C ATOM 334 CG ARG A 22 6.660 1.632 6.892 1.00 0.00 C ATOM 335 CD ARG A 22 7.661 2.782 6.786 1.00 0.00 C ATOM 336 NE ARG A 22 7.969 3.304 8.105 1.00 0.00 N ATOM 337 CZ ARG A 22 8.658 4.457 8.200 1.00 0.00 C ATOM 338 NH1 ARG A 22 9.047 5.095 7.099 1.00 0.00 N ATOM 339 NH2 ARG A 22 8.950 4.958 9.397 1.00 0.00 N ATOM 0 H ARG A 22 9.090 -1.963 7.704 1.00 0.00 H new ATOM 0 HA ARG A 22 6.954 -0.869 6.060 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.467 0.062 8.354 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.048 0.817 8.323 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.387 1.293 5.893 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.746 1.986 7.369 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.574 2.435 6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.250 3.574 6.160 1.00 0.00 H new ATOM 0 HE ARG A 22 7.669 2.807 8.944 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.823 4.711 6.181 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.569 5.968 7.173 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.652 4.469 10.241 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.472 5.831 9.471 1.00 0.00 H new ATOM 353 N GLU A 23 10.094 -0.254 6.845 1.00 0.00 N ATOM 354 CA GLU A 23 11.387 0.074 6.318 1.00 0.00 C ATOM 355 C GLU A 23 11.858 -1.111 5.491 1.00 0.00 C ATOM 356 O GLU A 23 12.351 -0.991 4.376 1.00 0.00 O ATOM 357 CB GLU A 23 12.317 0.315 7.502 1.00 0.00 C ATOM 358 CG GLU A 23 13.075 -0.935 7.942 1.00 0.00 C ATOM 359 CD GLU A 23 14.131 -0.564 8.984 1.00 0.00 C ATOM 360 OE1 GLU A 23 15.138 0.037 8.611 1.00 0.00 O ATOM 361 OE2 GLU A 23 13.936 -0.882 10.156 1.00 0.00 O ATOM 0 H GLU A 23 10.078 -0.510 7.832 1.00 0.00 H new ATOM 0 HA GLU A 23 11.368 0.965 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.035 1.092 7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.733 0.692 8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.380 -1.664 8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.551 -1.404 7.081 1.00 0.00 H new ATOM 368 N GLU A 24 11.652 -2.263 6.144 1.00 0.00 N ATOM 369 CA GLU A 24 12.026 -3.510 5.512 1.00 0.00 C ATOM 370 C GLU A 24 11.447 -3.570 4.091 1.00 0.00 C ATOM 371 O GLU A 24 12.038 -4.127 3.176 1.00 0.00 O ATOM 372 CB GLU A 24 11.505 -4.660 6.362 1.00 0.00 C ATOM 373 CG GLU A 24 11.922 -4.499 7.824 1.00 0.00 C ATOM 374 CD GLU A 24 13.433 -4.696 7.960 1.00 0.00 C ATOM 375 OE1 GLU A 24 14.180 -3.816 7.534 1.00 0.00 O ATOM 376 OE2 GLU A 24 13.846 -5.726 8.492 1.00 0.00 O ATOM 0 H GLU A 24 11.243 -2.346 7.075 1.00 0.00 H new ATOM 0 HA GLU A 24 13.111 -3.584 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.418 -4.703 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.886 -5.605 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.642 -3.509 8.184 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.395 -5.225 8.443 1.00 0.00 H new ATOM 383 N SER A 25 10.256 -2.947 3.976 1.00 0.00 N ATOM 384 CA SER A 25 9.587 -2.932 2.683 1.00 0.00 C ATOM 385 C SER A 25 10.156 -1.828 1.775 1.00 0.00 C ATOM 386 O SER A 25 10.101 -1.912 0.555 1.00 0.00 O ATOM 387 CB SER A 25 8.096 -2.712 2.909 1.00 0.00 C ATOM 388 OG SER A 25 7.339 -3.448 1.984 1.00 0.00 O ATOM 0 H SER A 25 9.765 -2.471 4.733 1.00 0.00 H new ATOM 0 HA SER A 25 9.754 -3.886 2.183 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.829 -3.010 3.923 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.862 -1.652 2.816 1.00 0.00 H new ATOM 0 HG SER A 25 7.913 -4.108 1.543 1.00 0.00 H new ATOM 394 N GLU A 26 10.702 -0.795 2.448 1.00 0.00 N ATOM 395 CA GLU A 26 11.256 0.314 1.711 1.00 0.00 C ATOM 396 C GLU A 26 12.671 -0.017 1.205 1.00 0.00 C ATOM 397 O GLU A 26 13.162 0.568 0.247 1.00 0.00 O ATOM 398 CB GLU A 26 11.254 1.517 2.646 1.00 0.00 C ATOM 399 CG GLU A 26 12.530 2.333 2.528 1.00 0.00 C ATOM 400 CD GLU A 26 12.483 3.528 3.482 1.00 0.00 C ATOM 401 OE1 GLU A 26 11.388 3.903 3.900 1.00 0.00 O ATOM 402 OE2 GLU A 26 13.541 4.070 3.798 1.00 0.00 O ATOM 0 H GLU A 26 10.762 -0.722 3.464 1.00 0.00 H new ATOM 0 HA GLU A 26 10.661 0.531 0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.396 2.151 2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.136 1.176 3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.393 1.708 2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.654 2.682 1.503 1.00 0.00 H new ATOM 409 N GLN A 27 13.282 -0.995 1.899 1.00 0.00 N ATOM 410 CA GLN A 27 14.613 -1.407 1.480 1.00 0.00 C ATOM 411 C GLN A 27 14.421 -2.398 0.338 1.00 0.00 C ATOM 412 O GLN A 27 15.248 -2.551 -0.547 1.00 0.00 O ATOM 413 CB GLN A 27 15.375 -2.044 2.639 1.00 0.00 C ATOM 414 CG GLN A 27 14.654 -3.279 3.170 1.00 0.00 C ATOM 415 CD GLN A 27 15.573 -4.052 4.119 1.00 0.00 C ATOM 416 OE1 GLN A 27 16.753 -3.755 4.262 1.00 0.00 O ATOM 417 NE2 GLN A 27 14.948 -5.061 4.751 1.00 0.00 N ATOM 0 H GLN A 27 12.895 -1.484 2.706 1.00 0.00 H new ATOM 0 HA GLN A 27 15.204 -0.551 1.155 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.377 -2.320 2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.493 -1.317 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.744 -2.983 3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.352 -3.919 2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.960 -5.240 4.573 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.462 -5.647 5.408 1.00 0.00 H new ATOM 426 N ILE A 28 13.255 -3.057 0.428 1.00 0.00 N ATOM 427 CA ILE A 28 12.905 -3.974 -0.591 1.00 0.00 C ATOM 428 C ILE A 28 12.684 -3.196 -1.872 1.00 0.00 C ATOM 429 O ILE A 28 13.081 -3.590 -2.962 1.00 0.00 O ATOM 430 CB ILE A 28 11.620 -4.636 -0.151 1.00 0.00 C ATOM 431 CG1 ILE A 28 11.867 -5.727 0.876 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.890 -5.205 -1.345 1.00 0.00 C ATOM 433 CD1 ILE A 28 10.584 -6.024 1.646 1.00 0.00 C ATOM 0 H ILE A 28 12.577 -2.956 1.184 1.00 0.00 H new ATOM 0 HA ILE A 28 13.679 -4.722 -0.762 1.00 0.00 H new ATOM 0 HB ILE A 28 11.003 -3.871 0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.220 -6.631 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.651 -5.416 1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.966 -5.679 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.656 -4.403 -2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.521 -5.944 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.773 -6.808 2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.249 -5.121 2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.812 -6.355 0.952 1.00 0.00 H new ATOM 445 N VAL A 29 11.998 -2.068 -1.659 1.00 0.00 N ATOM 446 CA VAL A 29 11.747 -1.205 -2.781 1.00 0.00 C ATOM 447 C VAL A 29 13.072 -0.735 -3.359 1.00 0.00 C ATOM 448 O VAL A 29 13.200 -0.437 -4.539 1.00 0.00 O ATOM 449 CB VAL A 29 10.939 -0.004 -2.301 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.180 1.182 -3.217 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.446 -0.320 -2.214 1.00 0.00 C ATOM 0 H VAL A 29 11.629 -1.755 -0.761 1.00 0.00 H new ATOM 0 HA VAL A 29 11.191 -1.740 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 29 11.276 0.245 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.599 2.036 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.240 1.437 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.874 0.926 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.907 0.562 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.077 -0.608 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.288 -1.140 -1.513 1.00 0.00 H new ATOM 461 N LEU A 30 14.040 -0.675 -2.450 1.00 0.00 N ATOM 462 CA LEU A 30 15.333 -0.270 -2.865 1.00 0.00 C ATOM 463 C LEU A 30 15.807 -1.253 -3.933 1.00 0.00 C ATOM 464 O LEU A 30 16.489 -0.907 -4.890 1.00 0.00 O ATOM 465 CB LEU A 30 16.199 -0.311 -1.612 1.00 0.00 C ATOM 466 CG LEU A 30 17.209 -1.446 -1.627 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.437 -1.062 -2.431 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.602 -1.828 -0.218 1.00 0.00 C ATOM 0 H LEU A 30 13.939 -0.898 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 30 15.368 0.729 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.727 0.637 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.558 -0.414 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 30 16.742 -2.309 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 30 19.147 -1.889 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.145 -0.838 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.903 -0.183 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.326 -2.642 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.046 -0.967 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.718 -2.150 0.332 1.00 0.00 H new ATOM 480 N ILE A 31 15.379 -2.508 -3.682 1.00 0.00 N ATOM 481 CA ILE A 31 15.734 -3.559 -4.582 1.00 0.00 C ATOM 482 C ILE A 31 15.005 -3.374 -5.889 1.00 0.00 C ATOM 483 O ILE A 31 15.570 -3.085 -6.937 1.00 0.00 O ATOM 484 CB ILE A 31 15.307 -4.916 -4.027 1.00 0.00 C ATOM 485 CG1 ILE A 31 15.176 -4.949 -2.515 1.00 0.00 C ATOM 486 CG2 ILE A 31 16.261 -5.968 -4.495 1.00 0.00 C ATOM 487 CD1 ILE A 31 16.418 -5.532 -1.842 1.00 0.00 C ATOM 0 H ILE A 31 14.807 -2.786 -2.884 1.00 0.00 H new ATOM 0 HA ILE A 31 16.815 -3.527 -4.717 1.00 0.00 H new ATOM 0 HB ILE A 31 14.306 -5.113 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 31 15.004 -3.938 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.304 -5.542 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 31 15.957 -6.937 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.258 -6.004 -5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.265 -5.731 -4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 31 16.278 -5.535 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.576 -6.553 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 31 17.287 -4.924 -2.094 1.00 0.00 H new ATOM 499 N GLY A 32 13.693 -3.576 -5.723 1.00 0.00 N ATOM 500 CA GLY A 32 12.833 -3.523 -6.878 1.00 0.00 C ATOM 501 C GLY A 32 12.092 -2.192 -7.014 1.00 0.00 C ATOM 502 O GLY A 32 11.855 -1.481 -6.049 1.00 0.00 O ATOM 0 H GLY A 32 13.232 -3.769 -4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.428 -3.694 -7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.106 -4.333 -6.819 1.00 0.00 H new ATOM 506 N SER A 33 11.749 -1.937 -8.298 1.00 0.00 N ATOM 507 CA SER A 33 11.036 -0.711 -8.650 1.00 0.00 C ATOM 508 C SER A 33 11.981 0.203 -9.415 1.00 0.00 C ATOM 509 O SER A 33 13.197 0.154 -9.270 1.00 0.00 O ATOM 510 CB SER A 33 10.478 -0.012 -7.414 1.00 0.00 C ATOM 511 OG SER A 33 9.545 0.968 -7.787 1.00 0.00 O ATOM 0 H SER A 33 11.953 -2.555 -9.083 1.00 0.00 H new ATOM 0 HA SER A 33 10.183 -0.964 -9.279 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.005 -0.742 -6.757 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.290 0.446 -6.849 1.00 0.00 H new ATOM 0 HG SER A 33 10.011 1.720 -8.208 1.00 0.00 H new ATOM 517 N LYS A 34 11.329 1.037 -10.236 1.00 0.00 N ATOM 518 CA LYS A 34 12.097 1.940 -11.068 1.00 0.00 C ATOM 519 C LYS A 34 11.155 2.698 -11.974 1.00 0.00 C ATOM 520 O LYS A 34 11.146 3.919 -12.065 1.00 0.00 O ATOM 521 CB LYS A 34 13.014 1.105 -11.947 1.00 0.00 C ATOM 522 CG LYS A 34 14.228 1.899 -12.407 1.00 0.00 C ATOM 523 CD LYS A 34 15.426 1.699 -11.478 1.00 0.00 C ATOM 524 CE LYS A 34 16.207 0.431 -11.829 1.00 0.00 C ATOM 525 NZ LYS A 34 15.453 -0.785 -11.547 1.00 0.00 N ATOM 0 H LYS A 34 10.316 1.098 -10.333 1.00 0.00 H new ATOM 0 HA LYS A 34 12.665 2.632 -10.446 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.343 0.224 -11.396 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.461 0.750 -12.816 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.498 1.595 -13.418 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.974 2.958 -12.449 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.086 2.564 -11.544 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.081 1.640 -10.446 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.473 0.453 -12.886 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.140 0.415 -11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.104 -1.595 -11.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.964 -0.687 -10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.752 -0.941 -12.300 1.00 0.00 H new ATOM 539 N THR A 35 10.367 1.846 -12.634 1.00 0.00 N ATOM 540 CA THR A 35 9.393 2.336 -13.587 1.00 0.00 C ATOM 541 C THR A 35 8.351 3.260 -12.942 1.00 0.00 C ATOM 542 O THR A 35 7.419 3.731 -13.582 1.00 0.00 O ATOM 543 CB THR A 35 8.710 1.127 -14.201 1.00 0.00 C ATOM 544 OG1 THR A 35 9.413 -0.047 -13.864 1.00 0.00 O ATOM 545 CG2 THR A 35 8.628 1.243 -15.711 1.00 0.00 C ATOM 0 H THR A 35 10.389 0.832 -12.523 1.00 0.00 H new ATOM 0 HA THR A 35 9.904 2.933 -14.342 1.00 0.00 H new ATOM 0 HB THR A 35 7.697 1.082 -13.802 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.965 -0.822 -14.262 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.134 0.361 -16.117 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.058 2.133 -15.977 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.633 1.319 -16.125 1.00 0.00 H new ATOM 553 N ASN A 36 8.579 3.478 -11.651 1.00 0.00 N ATOM 554 CA ASN A 36 7.685 4.336 -10.907 1.00 0.00 C ATOM 555 C ASN A 36 6.274 3.757 -10.937 1.00 0.00 C ATOM 556 O ASN A 36 5.290 4.451 -11.164 1.00 0.00 O ATOM 557 CB ASN A 36 7.718 5.734 -11.518 1.00 0.00 C ATOM 558 CG ASN A 36 6.877 6.719 -10.691 1.00 0.00 C ATOM 559 OD1 ASN A 36 6.715 7.879 -11.049 1.00 0.00 O ATOM 560 ND2 ASN A 36 6.359 6.182 -9.569 1.00 0.00 N ATOM 0 H ASN A 36 9.353 3.083 -11.117 1.00 0.00 H new ATOM 0 HA ASN A 36 8.002 4.400 -9.866 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.748 6.086 -11.572 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.340 5.697 -12.540 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.785 6.753 -8.948 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.541 5.205 -9.340 1.00 0.00 H new ATOM 567 N GLY A 37 6.253 2.437 -10.692 1.00 0.00 N ATOM 568 CA GLY A 37 4.976 1.751 -10.675 1.00 0.00 C ATOM 569 C GLY A 37 4.953 0.609 -9.650 1.00 0.00 C ATOM 570 O GLY A 37 4.007 -0.166 -9.589 1.00 0.00 O ATOM 0 H GLY A 37 7.072 1.856 -10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.184 2.463 -10.443 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.765 1.352 -11.667 1.00 0.00 H new ATOM 574 N LYS A 38 6.043 0.544 -8.852 1.00 0.00 N ATOM 575 CA LYS A 38 6.077 -0.506 -7.863 1.00 0.00 C ATOM 576 C LYS A 38 5.461 0.036 -6.592 1.00 0.00 C ATOM 577 O LYS A 38 5.540 1.221 -6.299 1.00 0.00 O ATOM 578 CB LYS A 38 7.507 -0.968 -7.610 1.00 0.00 C ATOM 579 CG LYS A 38 7.541 -2.413 -7.111 1.00 0.00 C ATOM 580 CD LYS A 38 7.864 -3.393 -8.238 1.00 0.00 C ATOM 581 CE LYS A 38 9.313 -3.875 -8.165 1.00 0.00 C ATOM 582 NZ LYS A 38 9.424 -5.213 -7.597 1.00 0.00 N ATOM 0 H LYS A 38 6.849 1.169 -8.881 1.00 0.00 H new ATOM 0 HA LYS A 38 5.516 -1.371 -8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.087 -0.884 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.978 -0.315 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.287 -2.508 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.577 -2.669 -6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.192 -4.249 -8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.687 -2.913 -9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.746 -3.871 -9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.895 -3.178 -7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.424 -5.496 -7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.036 -5.214 -6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.891 -5.885 -8.185 1.00 0.00 H new ATOM 596 N PHE A 39 4.842 -0.893 -5.859 1.00 0.00 N ATOM 597 CA PHE A 39 4.207 -0.441 -4.634 1.00 0.00 C ATOM 598 C PHE A 39 3.952 -1.596 -3.667 1.00 0.00 C ATOM 599 O PHE A 39 3.881 -2.761 -4.036 1.00 0.00 O ATOM 600 CB PHE A 39 2.890 0.256 -4.993 1.00 0.00 C ATOM 601 CG PHE A 39 1.800 -0.737 -5.290 1.00 0.00 C ATOM 602 CD1 PHE A 39 1.730 -1.376 -6.552 1.00 0.00 C ATOM 603 CD2 PHE A 39 0.838 -1.050 -4.301 1.00 0.00 C ATOM 604 CE1 PHE A 39 0.709 -2.318 -6.819 1.00 0.00 C ATOM 605 CE2 PHE A 39 -0.181 -1.990 -4.566 1.00 0.00 C ATOM 606 CZ PHE A 39 -0.246 -2.625 -5.826 1.00 0.00 C ATOM 0 H PHE A 39 4.771 -1.888 -6.074 1.00 0.00 H new ATOM 0 HA PHE A 39 4.876 0.255 -4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.582 0.899 -4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.043 0.899 -5.860 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.459 -1.143 -7.314 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.884 -0.566 -3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.660 -2.802 -7.783 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.911 -2.224 -3.805 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.025 -3.344 -6.029 1.00 0.00 H new ATOM 616 N LEU A 40 3.811 -1.162 -2.405 1.00 0.00 N ATOM 617 CA LEU A 40 3.514 -2.119 -1.356 1.00 0.00 C ATOM 618 C LEU A 40 2.859 -1.371 -0.193 1.00 0.00 C ATOM 619 O LEU A 40 3.307 -0.309 0.222 1.00 0.00 O ATOM 620 CB LEU A 40 4.797 -2.810 -0.909 1.00 0.00 C ATOM 621 CG LEU A 40 5.647 -1.907 -0.014 1.00 0.00 C ATOM 622 CD1 LEU A 40 5.245 -2.065 1.451 1.00 0.00 C ATOM 623 CD2 LEU A 40 7.130 -2.235 -0.190 1.00 0.00 C ATOM 0 H LEU A 40 3.896 -0.191 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 40 2.831 -2.887 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.549 -3.725 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.376 -3.103 -1.785 1.00 0.00 H new ATOM 0 HG LEU A 40 5.475 -0.872 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.862 -1.414 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.196 -1.793 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.389 -3.101 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.725 -1.586 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.307 -3.276 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.416 -2.078 -1.230 1.00 0.00 H new ATOM 635 N ILE A 41 1.770 -1.990 0.296 1.00 0.00 N ATOM 636 CA ILE A 41 1.058 -1.369 1.406 1.00 0.00 C ATOM 637 C ILE A 41 1.633 -1.879 2.729 1.00 0.00 C ATOM 638 O ILE A 41 2.230 -2.945 2.804 1.00 0.00 O ATOM 639 CB ILE A 41 -0.425 -1.707 1.295 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.181 -1.283 2.552 1.00 0.00 C ATOM 641 CG2 ILE A 41 -0.595 -3.199 1.070 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.057 0.220 2.804 1.00 0.00 C ATOM 0 H ILE A 41 1.386 -2.872 -0.043 1.00 0.00 H new ATOM 0 HA ILE A 41 1.177 -0.286 1.372 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.839 -1.160 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.233 -1.550 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.794 -1.830 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.656 -3.437 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.089 -3.488 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.162 -3.745 1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.608 0.484 3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.007 0.482 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.468 0.766 1.955 1.00 0.00 H new ATOM 654 N ARG A 42 1.413 -1.041 3.761 1.00 0.00 N ATOM 655 CA ARG A 42 1.914 -1.413 5.075 1.00 0.00 C ATOM 656 C ARG A 42 0.790 -1.308 6.103 1.00 0.00 C ATOM 657 O ARG A 42 -0.052 -0.419 6.055 1.00 0.00 O ATOM 658 CB ARG A 42 3.081 -0.504 5.463 1.00 0.00 C ATOM 659 CG ARG A 42 2.597 0.810 6.082 1.00 0.00 C ATOM 660 CD ARG A 42 2.452 0.707 7.603 1.00 0.00 C ATOM 661 NE ARG A 42 3.746 0.493 8.227 1.00 0.00 N ATOM 662 CZ ARG A 42 3.790 0.272 9.555 1.00 0.00 C ATOM 663 NH1 ARG A 42 2.666 0.246 10.265 1.00 0.00 N ATOM 664 NH2 ARG A 42 4.959 0.078 10.159 1.00 0.00 N ATOM 0 H ARG A 42 0.918 -0.151 3.708 1.00 0.00 H new ATOM 0 HA ARG A 42 2.270 -2.443 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.726 -1.023 6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.684 -0.290 4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.300 1.607 5.838 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.638 1.086 5.644 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.001 1.619 7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.781 -0.114 7.855 1.00 0.00 H new ATOM 0 HE ARG A 42 4.602 0.510 7.672 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.768 0.394 9.804 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.702 0.078 11.271 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.823 0.097 9.617 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.992 -0.089 11.165 1.00 0.00 H new ATOM 678 N ALA A 43 0.841 -2.279 7.033 1.00 0.00 N ATOM 679 CA ALA A 43 -0.166 -2.294 8.079 1.00 0.00 C ATOM 680 C ALA A 43 0.521 -2.153 9.437 1.00 0.00 C ATOM 681 O ALA A 43 1.741 -2.107 9.541 1.00 0.00 O ATOM 682 CB ALA A 43 -0.957 -3.598 8.009 1.00 0.00 C ATOM 0 H ALA A 43 1.537 -3.024 7.074 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.858 -1.462 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.712 -3.608 8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.444 -3.677 7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.280 -4.442 8.146 1.00 0.00 H new ATOM 688 N ARG A 44 -0.344 -2.087 10.464 1.00 0.00 N ATOM 689 CA ARG A 44 0.189 -1.949 11.809 1.00 0.00 C ATOM 690 C ARG A 44 0.113 -3.293 12.531 1.00 0.00 C ATOM 691 O ARG A 44 -0.086 -4.341 11.928 1.00 0.00 O ATOM 692 CB ARG A 44 -0.601 -0.886 12.567 1.00 0.00 C ATOM 693 CG ARG A 44 -2.007 -1.371 12.925 1.00 0.00 C ATOM 694 CD ARG A 44 -2.843 -1.647 11.676 1.00 0.00 C ATOM 695 NE ARG A 44 -4.249 -1.752 12.023 1.00 0.00 N ATOM 696 CZ ARG A 44 -4.687 -2.880 12.614 1.00 0.00 C ATOM 697 NH1 ARG A 44 -3.839 -3.873 12.868 1.00 0.00 N ATOM 698 NH2 ARG A 44 -5.970 -3.001 12.943 1.00 0.00 N ATOM 0 H ARG A 44 -1.360 -2.125 10.388 1.00 0.00 H new ATOM 0 HA ARG A 44 1.233 -1.638 11.760 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.067 -0.617 13.478 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.671 0.017 11.960 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.938 -2.279 13.525 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.506 -0.621 13.539 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.700 -0.847 10.950 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.508 -2.570 11.203 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.892 -0.986 11.823 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.855 -3.781 12.615 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.173 -4.727 13.316 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.621 -2.240 12.748 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.303 -3.855 13.391 1.00 0.00 H new ATOM 712 N ASP A 45 0.283 -3.185 13.861 1.00 0.00 N ATOM 713 CA ASP A 45 0.236 -4.392 14.668 1.00 0.00 C ATOM 714 C ASP A 45 -1.157 -4.547 15.279 1.00 0.00 C ATOM 715 O ASP A 45 -1.794 -5.587 15.176 1.00 0.00 O ATOM 716 CB ASP A 45 1.295 -4.312 15.765 1.00 0.00 C ATOM 717 CG ASP A 45 1.141 -5.497 16.720 1.00 0.00 C ATOM 718 OD1 ASP A 45 1.614 -6.583 16.388 1.00 0.00 O ATOM 719 OD2 ASP A 45 0.551 -5.321 17.784 1.00 0.00 O ATOM 0 H ASP A 45 0.446 -2.316 14.369 1.00 0.00 H new ATOM 0 HA ASP A 45 0.442 -5.261 14.043 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.291 -4.316 15.323 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.194 -3.375 16.313 1.00 0.00 H new ATOM 724 N ASN A 46 -1.579 -3.442 15.919 1.00 0.00 N ATOM 725 CA ASN A 46 -2.890 -3.463 16.546 1.00 0.00 C ATOM 726 C ASN A 46 -3.212 -2.079 17.109 1.00 0.00 C ATOM 727 O ASN A 46 -2.794 -1.712 18.201 1.00 0.00 O ATOM 728 CB ASN A 46 -2.904 -4.512 17.657 1.00 0.00 C ATOM 729 CG ASN A 46 -1.753 -4.253 18.631 1.00 0.00 C ATOM 730 OD1 ASN A 46 -1.075 -3.234 18.577 1.00 0.00 O ATOM 731 ND2 ASN A 46 -1.584 -5.248 19.521 1.00 0.00 N ATOM 0 H ASN A 46 -1.056 -2.571 16.009 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.649 -3.723 15.808 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.855 -4.480 18.188 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.812 -5.510 17.228 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.845 -5.186 20.221 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.195 -6.064 19.496 1.00 0.00 H new ATOM 738 N ASN A 47 -3.988 -1.348 16.288 1.00 0.00 N ATOM 739 CA ASN A 47 -4.373 -0.006 16.697 1.00 0.00 C ATOM 740 C ASN A 47 -5.200 0.644 15.588 1.00 0.00 C ATOM 741 O ASN A 47 -6.247 1.235 15.822 1.00 0.00 O ATOM 742 CB ASN A 47 -3.120 0.821 16.980 1.00 0.00 C ATOM 743 CG ASN A 47 -3.515 2.231 17.425 1.00 0.00 C ATOM 744 OD1 ASN A 47 -4.450 2.429 18.191 1.00 0.00 O ATOM 745 ND2 ASN A 47 -2.737 3.188 16.890 1.00 0.00 N ATOM 0 H ASN A 47 -4.342 -1.654 15.381 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.974 -0.055 17.605 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -2.524 0.340 17.755 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -2.499 0.873 16.086 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.907 4.168 17.115 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.977 2.934 16.259 1.00 0.00 H new ATOM 752 N GLY A 48 -4.653 0.490 14.368 1.00 0.00 N ATOM 753 CA GLY A 48 -5.335 1.061 13.223 1.00 0.00 C ATOM 754 C GLY A 48 -4.458 2.105 12.530 1.00 0.00 C ATOM 755 O GLY A 48 -4.593 3.305 12.737 1.00 0.00 O ATOM 0 H GLY A 48 -3.783 -0.002 14.167 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.593 0.271 12.518 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.270 1.521 13.544 1.00 0.00 H new ATOM 759 N SER A 49 -3.556 1.560 11.696 1.00 0.00 N ATOM 760 CA SER A 49 -2.657 2.442 10.973 1.00 0.00 C ATOM 761 C SER A 49 -2.086 1.709 9.760 1.00 0.00 C ATOM 762 O SER A 49 -1.472 0.655 9.868 1.00 0.00 O ATOM 763 CB SER A 49 -1.534 2.897 11.901 1.00 0.00 C ATOM 764 OG SER A 49 -0.657 3.766 11.230 1.00 0.00 O ATOM 0 H SER A 49 -3.440 0.562 11.518 1.00 0.00 H new ATOM 0 HA SER A 49 -3.203 3.320 10.626 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.956 3.399 12.772 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.985 2.030 12.268 1.00 0.00 H new ATOM 0 HG SER A 49 0.055 4.048 11.841 1.00 0.00 H new ATOM 770 N TYR A 50 -2.334 2.346 8.602 1.00 0.00 N ATOM 771 CA TYR A 50 -1.845 1.762 7.363 1.00 0.00 C ATOM 772 C TYR A 50 -1.304 2.878 6.475 1.00 0.00 C ATOM 773 O TYR A 50 -1.806 3.994 6.473 1.00 0.00 O ATOM 774 CB TYR A 50 -2.981 1.028 6.645 1.00 0.00 C ATOM 775 CG TYR A 50 -3.658 0.031 7.541 1.00 0.00 C ATOM 776 CD1 TYR A 50 -4.669 0.451 8.441 1.00 0.00 C ATOM 777 CD2 TYR A 50 -3.305 -1.339 7.486 1.00 0.00 C ATOM 778 CE1 TYR A 50 -5.318 -0.487 9.274 1.00 0.00 C ATOM 779 CE2 TYR A 50 -3.954 -2.277 8.320 1.00 0.00 C ATOM 780 CZ TYR A 50 -4.961 -1.851 9.213 1.00 0.00 C ATOM 781 OH TYR A 50 -5.595 -2.767 10.027 1.00 0.00 O ATOM 0 H TYR A 50 -2.846 3.223 8.507 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.053 1.046 7.581 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.714 1.752 6.289 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.585 0.517 5.767 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.945 1.494 8.490 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.536 -1.669 6.803 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.088 -0.160 9.958 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.679 -3.321 8.274 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.231 -3.661 9.859 1.00 0.00 H new ATOM 791 N ALA A 51 -0.249 2.510 5.727 1.00 0.00 N ATOM 792 CA ALA A 51 0.330 3.500 4.836 1.00 0.00 C ATOM 793 C ALA A 51 0.853 2.819 3.573 1.00 0.00 C ATOM 794 O ALA A 51 1.453 1.753 3.609 1.00 0.00 O ATOM 795 CB ALA A 51 1.451 4.253 5.547 1.00 0.00 C ATOM 0 H ALA A 51 0.191 1.590 5.725 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.438 4.218 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.879 4.993 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.050 4.755 6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.226 3.549 5.852 1.00 0.00 H new ATOM 801 N LEU A 52 0.583 3.523 2.460 1.00 0.00 N ATOM 802 CA LEU A 52 1.010 3.000 1.174 1.00 0.00 C ATOM 803 C LEU A 52 2.444 3.438 0.890 1.00 0.00 C ATOM 804 O LEU A 52 2.769 4.617 0.878 1.00 0.00 O ATOM 805 CB LEU A 52 0.068 3.521 0.092 1.00 0.00 C ATOM 806 CG LEU A 52 0.746 3.598 -1.276 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.207 2.211 -1.730 1.00 0.00 C ATOM 808 CD2 LEU A 52 -0.224 4.180 -2.299 1.00 0.00 C ATOM 0 H LEU A 52 0.092 4.417 2.432 1.00 0.00 H new ATOM 0 HA LEU A 52 0.979 1.911 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.804 2.870 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.293 4.510 0.373 1.00 0.00 H new ATOM 0 HG LEU A 52 1.620 4.244 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.687 2.288 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.917 1.809 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.346 1.546 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.263 4.233 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.105 3.542 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.524 5.181 -1.988 1.00 0.00 H new ATOM 820 N CYS A 53 3.269 2.405 0.654 1.00 0.00 N ATOM 821 CA CYS A 53 4.664 2.682 0.365 1.00 0.00 C ATOM 822 C CYS A 53 5.013 2.130 -0.996 1.00 0.00 C ATOM 823 O CYS A 53 4.886 0.947 -1.282 1.00 0.00 O ATOM 824 CB CYS A 53 5.559 2.072 1.442 1.00 0.00 C ATOM 825 SG CYS A 53 5.015 2.474 3.121 1.00 0.00 S ATOM 0 H CYS A 53 3.002 1.420 0.659 1.00 0.00 H new ATOM 0 HA CYS A 53 4.826 3.760 0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.578 0.989 1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.580 2.426 1.302 1.00 0.00 H new ATOM 0 HG CYS A 53 5.807 3.370 3.631 1.00 0.00 H new ATOM 831 N LEU A 54 5.462 3.085 -1.810 1.00 0.00 N ATOM 832 CA LEU A 54 5.810 2.741 -3.146 1.00 0.00 C ATOM 833 C LEU A 54 7.060 3.526 -3.566 1.00 0.00 C ATOM 834 O LEU A 54 7.643 4.236 -2.762 1.00 0.00 O ATOM 835 CB LEU A 54 4.561 3.020 -3.970 1.00 0.00 C ATOM 836 CG LEU A 54 4.357 4.478 -4.454 1.00 0.00 C ATOM 837 CD1 LEU A 54 2.926 4.916 -4.147 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.322 5.481 -3.814 1.00 0.00 C ATOM 0 H LEU A 54 5.583 4.066 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 54 6.090 1.697 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.579 2.370 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.692 2.733 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 54 4.559 4.477 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.779 5.941 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.226 4.259 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.751 4.861 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.119 6.479 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.187 5.477 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.348 5.201 -4.052 1.00 0.00 H new ATOM 850 N LEU A 55 7.454 3.373 -4.850 1.00 0.00 N ATOM 851 CA LEU A 55 8.645 4.111 -5.251 1.00 0.00 C ATOM 852 C LEU A 55 8.393 4.934 -6.510 1.00 0.00 C ATOM 853 O LEU A 55 7.693 4.527 -7.430 1.00 0.00 O ATOM 854 CB LEU A 55 9.783 3.132 -5.481 1.00 0.00 C ATOM 855 CG LEU A 55 11.129 3.852 -5.625 1.00 0.00 C ATOM 856 CD1 LEU A 55 11.846 3.997 -4.291 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.029 3.095 -6.582 1.00 0.00 C ATOM 0 H LEU A 55 7.005 2.797 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 55 8.910 4.806 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.833 2.430 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.585 2.548 -6.380 1.00 0.00 H new ATOM 0 HG LEU A 55 10.916 4.848 -6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.794 4.513 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.225 4.573 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.033 3.009 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.981 3.617 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.202 2.089 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.551 3.034 -7.560 1.00 0.00 H new ATOM 869 N HIS A 56 9.024 6.126 -6.474 1.00 0.00 N ATOM 870 CA HIS A 56 8.901 7.022 -7.608 1.00 0.00 C ATOM 871 C HIS A 56 9.878 6.585 -8.708 1.00 0.00 C ATOM 872 O HIS A 56 9.554 5.802 -9.589 1.00 0.00 O ATOM 873 CB HIS A 56 9.204 8.448 -7.153 1.00 0.00 C ATOM 874 CG HIS A 56 9.055 9.389 -8.325 1.00 0.00 C ATOM 875 ND1 HIS A 56 8.370 9.091 -9.450 1.00 0.00 N ATOM 876 CD2 HIS A 56 9.580 10.687 -8.463 1.00 0.00 C ATOM 877 CE1 HIS A 56 8.468 10.165 -10.250 1.00 0.00 C ATOM 878 NE2 HIS A 56 9.194 11.142 -9.677 1.00 0.00 N ATOM 0 H HIS A 56 9.596 6.467 -5.702 1.00 0.00 H new ATOM 0 HA HIS A 56 7.888 6.988 -8.008 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.525 8.738 -6.351 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.216 8.506 -6.751 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.178 11.219 -7.738 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.020 10.236 -11.230 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.412 12.053 -10.081 1.00 0.00 H new ATOM 886 N GLU A 57 11.091 7.156 -8.592 1.00 0.00 N ATOM 887 CA GLU A 57 12.133 6.830 -9.567 1.00 0.00 C ATOM 888 C GLU A 57 13.450 6.472 -8.853 1.00 0.00 C ATOM 889 O GLU A 57 14.505 6.346 -9.463 1.00 0.00 O ATOM 890 CB GLU A 57 12.358 8.041 -10.455 1.00 0.00 C ATOM 891 CG GLU A 57 11.038 8.663 -10.914 1.00 0.00 C ATOM 892 CD GLU A 57 10.999 8.730 -12.442 1.00 0.00 C ATOM 893 OE1 GLU A 57 11.184 7.695 -13.079 1.00 0.00 O ATOM 894 OE2 GLU A 57 10.783 9.817 -12.976 1.00 0.00 O ATOM 0 H GLU A 57 11.362 7.817 -7.864 1.00 0.00 H new ATOM 0 HA GLU A 57 11.816 5.972 -10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.941 8.785 -9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.944 7.749 -11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.200 8.072 -10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.932 9.663 -10.494 1.00 0.00 H new ATOM 901 N GLY A 58 13.301 6.327 -7.529 1.00 0.00 N ATOM 902 CA GLY A 58 14.450 6.013 -6.696 1.00 0.00 C ATOM 903 C GLY A 58 14.392 6.795 -5.372 1.00 0.00 C ATOM 904 O GLY A 58 15.401 7.173 -4.789 1.00 0.00 O ATOM 0 H GLY A 58 12.416 6.421 -7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 58 14.475 4.943 -6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.369 6.257 -7.228 1.00 0.00 H new ATOM 908 N LYS A 59 13.130 6.997 -4.963 1.00 0.00 N ATOM 909 CA LYS A 59 12.853 7.698 -3.742 1.00 0.00 C ATOM 910 C LYS A 59 11.572 7.087 -3.213 1.00 0.00 C ATOM 911 O LYS A 59 10.474 7.378 -3.672 1.00 0.00 O ATOM 912 CB LYS A 59 12.670 9.185 -4.006 1.00 0.00 C ATOM 913 CG LYS A 59 13.754 9.734 -4.932 1.00 0.00 C ATOM 914 CD LYS A 59 13.361 9.596 -6.403 1.00 0.00 C ATOM 915 CE LYS A 59 14.211 10.500 -7.297 1.00 0.00 C ATOM 916 NZ LYS A 59 15.640 10.271 -7.122 1.00 0.00 N ATOM 0 H LYS A 59 12.304 6.680 -5.470 1.00 0.00 H new ATOM 0 HA LYS A 59 13.671 7.607 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.690 9.357 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.690 9.727 -3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.934 10.784 -4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.689 9.203 -4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.478 8.559 -6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.308 9.849 -6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.944 10.330 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.983 11.543 -7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.166 10.779 -7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.935 10.618 -6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.840 9.253 -7.192 1.00 0.00 H new ATOM 930 N VAL A 60 11.788 6.223 -2.227 1.00 0.00 N ATOM 931 CA VAL A 60 10.650 5.530 -1.679 1.00 0.00 C ATOM 932 C VAL A 60 9.733 6.522 -0.992 1.00 0.00 C ATOM 933 O VAL A 60 10.156 7.468 -0.339 1.00 0.00 O ATOM 934 CB VAL A 60 11.107 4.483 -0.675 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.318 5.132 0.686 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.068 3.371 -0.554 1.00 0.00 C ATOM 0 H VAL A 60 12.694 6.000 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 60 10.114 5.036 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 60 12.046 4.053 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.645 4.378 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.078 5.909 0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.382 5.574 1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.411 2.630 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.121 3.793 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.930 2.895 -1.525 1.00 0.00 H new ATOM 946 N LEU A 61 8.455 6.211 -1.176 1.00 0.00 N ATOM 947 CA LEU A 61 7.443 7.054 -0.588 1.00 0.00 C ATOM 948 C LEU A 61 6.539 6.261 0.316 1.00 0.00 C ATOM 949 O LEU A 61 6.516 5.037 0.339 1.00 0.00 O ATOM 950 CB LEU A 61 6.616 7.716 -1.681 1.00 0.00 C ATOM 951 CG LEU A 61 7.534 8.349 -2.710 1.00 0.00 C ATOM 952 CD1 LEU A 61 6.742 9.146 -3.748 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.531 9.235 -1.981 1.00 0.00 C ATOM 0 H LEU A 61 8.112 5.411 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 61 7.943 7.819 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.972 6.978 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.964 8.474 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 61 8.065 7.568 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.429 9.586 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.049 8.482 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.183 9.938 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.201 9.700 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.996 10.010 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.112 8.632 -1.284 1.00 0.00 H new ATOM 965 N HIS A 62 5.799 7.079 1.059 1.00 0.00 N ATOM 966 CA HIS A 62 4.846 6.513 1.991 1.00 0.00 C ATOM 967 C HIS A 62 3.625 7.431 2.035 1.00 0.00 C ATOM 968 O HIS A 62 3.735 8.643 1.951 1.00 0.00 O ATOM 969 CB HIS A 62 5.472 6.400 3.387 1.00 0.00 C ATOM 970 CG HIS A 62 6.774 5.626 3.330 1.00 0.00 C ATOM 971 ND1 HIS A 62 6.930 4.371 3.809 1.00 0.00 N ATOM 972 CD2 HIS A 62 8.014 6.057 2.825 1.00 0.00 C ATOM 973 CE1 HIS A 62 8.219 4.044 3.607 1.00 0.00 C ATOM 974 NE2 HIS A 62 8.893 5.045 3.013 1.00 0.00 N ATOM 0 H HIS A 62 5.840 8.098 1.034 1.00 0.00 H new ATOM 0 HA HIS A 62 4.555 5.513 1.669 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.653 7.396 3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.777 5.903 4.063 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.225 7.015 2.373 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.657 3.097 3.886 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.879 5.042 2.753 1.00 0.00 H new ATOM 982 N TYR A 63 2.457 6.783 2.139 1.00 0.00 N ATOM 983 CA TYR A 63 1.248 7.567 2.208 1.00 0.00 C ATOM 984 C TYR A 63 0.400 7.064 3.367 1.00 0.00 C ATOM 985 O TYR A 63 0.114 5.884 3.478 1.00 0.00 O ATOM 986 CB TYR A 63 0.477 7.420 0.904 1.00 0.00 C ATOM 987 CG TYR A 63 1.158 8.134 -0.225 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.128 9.550 -0.315 1.00 0.00 C ATOM 989 CD2 TYR A 63 1.851 7.397 -1.216 1.00 0.00 C ATOM 990 CE1 TYR A 63 1.782 10.203 -1.374 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.503 8.056 -2.274 1.00 0.00 C ATOM 992 CZ TYR A 63 2.470 9.461 -2.356 1.00 0.00 C ATOM 993 OH TYR A 63 3.108 10.109 -3.393 1.00 0.00 O ATOM 0 H TYR A 63 2.338 5.771 2.175 1.00 0.00 H new ATOM 0 HA TYR A 63 1.492 8.618 2.363 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.376 6.363 0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.531 7.816 1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.602 10.127 0.431 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.879 6.319 -1.159 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.757 11.281 -1.436 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.029 7.484 -3.024 1.00 0.00 H new ATOM 0 HH TYR A 63 3.533 9.449 -3.979 1.00 0.00 H new ATOM 1003 N ARG A 64 0.023 8.027 4.223 1.00 0.00 N ATOM 1004 CA ARG A 64 -0.802 7.636 5.352 1.00 0.00 C ATOM 1005 C ARG A 64 -2.190 7.277 4.832 1.00 0.00 C ATOM 1006 O ARG A 64 -2.769 7.972 4.005 1.00 0.00 O ATOM 1007 CB ARG A 64 -0.891 8.760 6.386 1.00 0.00 C ATOM 1008 CG ARG A 64 -0.447 10.112 5.822 1.00 0.00 C ATOM 1009 CD ARG A 64 -0.583 11.225 6.861 1.00 0.00 C ATOM 1010 NE ARG A 64 0.283 10.963 7.996 1.00 0.00 N ATOM 1011 CZ ARG A 64 0.568 11.975 8.838 1.00 0.00 C ATOM 1012 NH1 ARG A 64 0.055 13.184 8.627 1.00 0.00 N ATOM 1013 NH2 ARG A 64 1.362 11.764 9.884 1.00 0.00 N ATOM 0 H ARG A 64 0.262 9.016 4.157 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.354 6.775 5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.917 8.839 6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.271 8.508 7.246 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.589 10.047 5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.047 10.356 4.945 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.325 12.184 6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.618 11.297 7.194 1.00 0.00 H new ATOM 0 HE ARG A 64 0.668 10.032 8.153 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.556 13.346 7.826 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.272 13.949 9.266 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.754 10.837 10.048 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.579 12.529 10.522 1.00 0.00 H new ATOM 1027 N ILE A 65 -2.681 6.153 5.377 1.00 0.00 N ATOM 1028 CA ILE A 65 -3.992 5.688 4.948 1.00 0.00 C ATOM 1029 C ILE A 65 -4.739 5.053 6.119 1.00 0.00 C ATOM 1030 O ILE A 65 -4.333 4.037 6.671 1.00 0.00 O ATOM 1031 CB ILE A 65 -3.825 4.661 3.828 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -3.516 5.353 2.500 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.085 3.804 3.691 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.269 4.770 1.842 1.00 0.00 C ATOM 0 H ILE A 65 -2.213 5.580 6.079 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.569 6.538 4.584 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.987 4.014 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.367 5.247 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.374 6.420 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.947 3.079 2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.271 3.278 4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.937 4.444 3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.080 5.286 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.414 4.899 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.422 3.708 1.650 1.00 0.00 H new ATOM 1046 N ASP A 66 -5.857 5.721 6.456 1.00 0.00 N ATOM 1047 CA ASP A 66 -6.675 5.201 7.531 1.00 0.00 C ATOM 1048 C ASP A 66 -8.128 5.572 7.281 1.00 0.00 C ATOM 1049 O ASP A 66 -8.472 6.275 6.341 1.00 0.00 O ATOM 1050 CB ASP A 66 -6.223 5.772 8.861 1.00 0.00 C ATOM 1051 CG ASP A 66 -6.836 4.970 10.011 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -6.806 3.742 9.951 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -7.336 5.582 10.953 1.00 0.00 O ATOM 0 H ASP A 66 -6.191 6.579 6.016 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.573 4.116 7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.135 5.745 8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.521 6.818 8.937 1.00 0.00 H new ATOM 1058 N LYS A 67 -8.939 5.073 8.215 1.00 0.00 N ATOM 1059 CA LYS A 67 -10.361 5.322 8.117 1.00 0.00 C ATOM 1060 C LYS A 67 -10.756 6.430 9.087 1.00 0.00 C ATOM 1061 O LYS A 67 -9.943 7.238 9.519 1.00 0.00 O ATOM 1062 CB LYS A 67 -11.104 4.037 8.461 1.00 0.00 C ATOM 1063 CG LYS A 67 -10.738 3.556 9.862 1.00 0.00 C ATOM 1064 CD LYS A 67 -9.558 2.584 9.838 1.00 0.00 C ATOM 1065 CE LYS A 67 -10.024 1.144 9.624 1.00 0.00 C ATOM 1066 NZ LYS A 67 -10.797 0.639 10.753 1.00 0.00 N ATOM 0 H LYS A 67 -8.643 4.516 9.016 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.618 5.636 7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.179 4.206 8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.860 3.265 7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.490 4.413 10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.601 3.069 10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.868 2.867 9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.008 2.654 10.776 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.630 1.091 8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.156 0.504 9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.305 -0.175 11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.900 1.389 11.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.738 0.342 10.424 1.00 0.00 H new ATOM 1080 N ASP A 68 -12.063 6.403 9.396 1.00 0.00 N ATOM 1081 CA ASP A 68 -12.582 7.391 10.316 1.00 0.00 C ATOM 1082 C ASP A 68 -13.329 6.659 11.436 1.00 0.00 C ATOM 1083 O ASP A 68 -12.733 6.103 12.351 1.00 0.00 O ATOM 1084 CB ASP A 68 -13.504 8.341 9.557 1.00 0.00 C ATOM 1085 CG ASP A 68 -12.691 9.486 8.950 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -11.906 9.229 8.039 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -12.852 10.621 9.395 1.00 0.00 O ATOM 0 H ASP A 68 -12.742 5.734 9.034 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.779 7.981 10.757 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.029 7.800 8.770 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.263 8.740 10.230 1.00 0.00 H new ATOM 1092 N LYS A 69 -14.665 6.697 11.299 1.00 0.00 N ATOM 1093 CA LYS A 69 -15.487 6.007 12.287 1.00 0.00 C ATOM 1094 C LYS A 69 -16.541 5.151 11.574 1.00 0.00 C ATOM 1095 O LYS A 69 -17.575 4.795 12.127 1.00 0.00 O ATOM 1096 CB LYS A 69 -16.151 7.011 13.240 1.00 0.00 C ATOM 1097 CG LYS A 69 -15.919 8.468 12.822 1.00 0.00 C ATOM 1098 CD LYS A 69 -16.707 8.829 11.561 1.00 0.00 C ATOM 1099 CE LYS A 69 -18.215 8.812 11.814 1.00 0.00 C ATOM 1100 NZ LYS A 69 -18.981 9.147 10.619 1.00 0.00 N ATOM 0 H LYS A 69 -15.171 7.173 10.553 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.850 5.355 12.885 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -17.223 6.815 13.278 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.763 6.860 14.247 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.212 9.131 13.636 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.856 8.631 12.645 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.407 9.818 11.215 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.463 8.125 10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -18.511 7.824 12.167 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -18.456 9.519 12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.997 9.122 10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.720 10.100 10.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.773 8.457 9.869 1.00 0.00 H new ATOM 1114 N THR A 70 -16.192 4.853 10.314 1.00 0.00 N ATOM 1115 CA THR A 70 -17.046 4.036 9.497 1.00 0.00 C ATOM 1116 C THR A 70 -16.372 2.679 9.276 1.00 0.00 C ATOM 1117 O THR A 70 -17.015 1.656 9.076 1.00 0.00 O ATOM 1118 CB THR A 70 -17.210 4.753 8.167 1.00 0.00 C ATOM 1119 OG1 THR A 70 -18.347 5.579 8.209 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.315 3.778 7.008 1.00 0.00 C ATOM 0 H THR A 70 -15.334 5.168 9.861 1.00 0.00 H new ATOM 0 HA THR A 70 -18.015 3.875 9.969 1.00 0.00 H new ATOM 0 HB THR A 70 -16.320 5.361 8.003 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.448 6.041 7.350 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.431 4.332 6.076 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.411 3.172 6.960 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.179 3.130 7.155 1.00 0.00 H new ATOM 1128 N GLY A 71 -15.027 2.757 9.328 1.00 0.00 N ATOM 1129 CA GLY A 71 -14.251 1.558 9.108 1.00 0.00 C ATOM 1130 C GLY A 71 -13.626 1.510 7.704 1.00 0.00 C ATOM 1131 O GLY A 71 -12.843 0.627 7.375 1.00 0.00 O ATOM 0 H GLY A 71 -14.491 3.605 9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.461 1.498 9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.889 0.685 9.248 1.00 0.00 H new ATOM 1135 N LYS A 72 -14.029 2.514 6.915 1.00 0.00 N ATOM 1136 CA LYS A 72 -13.527 2.586 5.551 1.00 0.00 C ATOM 1137 C LYS A 72 -12.144 3.226 5.547 1.00 0.00 C ATOM 1138 O LYS A 72 -11.916 4.273 6.136 1.00 0.00 O ATOM 1139 CB LYS A 72 -14.492 3.398 4.685 1.00 0.00 C ATOM 1140 CG LYS A 72 -14.824 4.753 5.315 1.00 0.00 C ATOM 1141 CD LYS A 72 -13.849 5.841 4.863 1.00 0.00 C ATOM 1142 CE LYS A 72 -13.626 6.884 5.959 1.00 0.00 C ATOM 1143 NZ LYS A 72 -12.686 7.922 5.555 1.00 0.00 N ATOM 0 H LYS A 72 -14.674 3.256 7.188 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.451 1.580 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.052 3.554 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.411 2.831 4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.840 5.040 5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.795 4.666 6.401 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.896 5.387 4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.236 6.329 3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.580 7.343 6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.254 6.390 6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.965 8.828 5.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.730 7.668 5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.692 8.012 4.519 1.00 0.00 H new ATOM 1157 N LEU A 73 -11.244 2.533 4.825 1.00 0.00 N ATOM 1158 CA LEU A 73 -9.889 3.036 4.742 1.00 0.00 C ATOM 1159 C LEU A 73 -9.859 4.159 3.712 1.00 0.00 C ATOM 1160 O LEU A 73 -10.423 4.054 2.633 1.00 0.00 O ATOM 1161 CB LEU A 73 -8.955 1.904 4.330 1.00 0.00 C ATOM 1162 CG LEU A 73 -8.859 0.825 5.409 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -8.055 -0.369 4.896 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -8.216 1.391 6.676 1.00 0.00 C ATOM 0 H LEU A 73 -11.430 1.667 4.319 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.559 3.420 5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.312 1.458 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.962 2.307 4.130 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.867 0.489 5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.995 -1.129 5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.546 -0.788 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.050 -0.043 4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.156 0.610 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.213 1.751 6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.820 2.216 7.053 1.00 0.00 H new ATOM 1176 N SER A 74 -9.163 5.231 4.113 1.00 0.00 N ATOM 1177 CA SER A 74 -9.088 6.373 3.222 1.00 0.00 C ATOM 1178 C SER A 74 -7.685 6.972 3.256 1.00 0.00 C ATOM 1179 O SER A 74 -6.738 6.386 3.765 1.00 0.00 O ATOM 1180 CB SER A 74 -10.123 7.411 3.649 1.00 0.00 C ATOM 1181 OG SER A 74 -10.145 8.492 2.751 1.00 0.00 O ATOM 0 H SER A 74 -8.671 5.323 5.002 1.00 0.00 H new ATOM 0 HA SER A 74 -9.300 6.055 2.201 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.110 6.950 3.695 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.892 7.770 4.652 1.00 0.00 H new ATOM 0 HG SER A 74 -9.963 8.168 1.844 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.630 8.184 2.682 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.357 8.880 2.627 1.00 0.00 C ATOM 1189 C ILE A 75 -6.611 10.379 2.778 1.00 0.00 C ATOM 1190 O ILE A 75 -7.568 10.924 2.241 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.701 8.593 1.275 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.898 7.128 0.885 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -4.210 8.941 1.286 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.835 6.666 -0.114 1.00 0.00 C ATOM 0 H ILE A 75 -8.421 8.677 2.268 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.699 8.543 3.428 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.187 9.227 0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.856 6.504 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.889 6.996 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.778 8.724 0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.085 10.000 1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.703 8.347 2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.006 5.620 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.895 7.274 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.846 6.774 0.331 1.00 0.00 H new ATOM 1206 N PRO A 76 -5.702 11.024 3.543 1.00 0.00 N ATOM 1207 CA PRO A 76 -5.777 12.451 3.777 1.00 0.00 C ATOM 1208 C PRO A 76 -5.927 13.212 2.466 1.00 0.00 C ATOM 1209 O PRO A 76 -6.883 13.943 2.237 1.00 0.00 O ATOM 1210 CB PRO A 76 -4.457 12.821 4.457 1.00 0.00 C ATOM 1211 CG PRO A 76 -3.729 11.504 4.776 1.00 0.00 C ATOM 1212 CD PRO A 76 -4.563 10.376 4.165 1.00 0.00 C ATOM 0 HA PRO A 76 -6.641 12.710 4.389 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.850 13.449 3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.639 13.391 5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.722 11.509 4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.628 11.370 5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.984 9.813 3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.884 9.668 4.929 1.00 0.00 H new ATOM 1220 N GLU A 77 -4.908 12.980 1.631 1.00 0.00 N ATOM 1221 CA GLU A 77 -4.911 13.618 0.326 1.00 0.00 C ATOM 1222 C GLU A 77 -5.286 12.600 -0.771 1.00 0.00 C ATOM 1223 O GLU A 77 -5.815 12.956 -1.816 1.00 0.00 O ATOM 1224 CB GLU A 77 -3.539 14.232 0.061 1.00 0.00 C ATOM 1225 CG GLU A 77 -3.094 15.127 1.217 1.00 0.00 C ATOM 1226 CD GLU A 77 -1.892 14.502 1.927 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -1.066 13.889 1.253 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -1.796 14.635 3.146 1.00 0.00 O ATOM 0 H GLU A 77 -4.107 12.381 1.829 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.659 14.410 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.807 13.439 -0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.571 14.814 -0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.832 16.116 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.915 15.260 1.922 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.981 11.318 -0.462 1.00 0.00 N ATOM 1236 CA GLY A 78 -5.299 10.268 -1.422 1.00 0.00 C ATOM 1237 C GLY A 78 -6.791 10.283 -1.778 1.00 0.00 C ATOM 1238 O GLY A 78 -7.320 11.255 -2.304 1.00 0.00 O ATOM 0 H GLY A 78 -4.538 11.008 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.704 10.404 -2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.030 9.297 -1.007 1.00 0.00 H new ATOM 1242 N LYS A 79 -7.426 9.137 -1.455 1.00 0.00 N ATOM 1243 CA LYS A 79 -8.845 9.022 -1.740 1.00 0.00 C ATOM 1244 C LYS A 79 -9.565 8.362 -0.560 1.00 0.00 C ATOM 1245 O LYS A 79 -9.269 8.598 0.605 1.00 0.00 O ATOM 1246 CB LYS A 79 -9.025 8.188 -3.006 1.00 0.00 C ATOM 1247 CG LYS A 79 -10.300 8.565 -3.759 1.00 0.00 C ATOM 1248 CD LYS A 79 -10.018 9.619 -4.829 1.00 0.00 C ATOM 1249 CE LYS A 79 -11.284 9.996 -5.597 1.00 0.00 C ATOM 1250 NZ LYS A 79 -11.024 10.971 -6.650 1.00 0.00 N ATOM 0 H LYS A 79 -6.993 8.323 -1.019 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.274 10.012 -1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.163 8.328 -3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.058 7.131 -2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.727 7.676 -4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.042 8.945 -3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.597 10.509 -4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.269 9.240 -5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.721 9.099 -6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.020 10.402 -4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.912 11.195 -7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.632 11.838 -6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.342 10.576 -7.329 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.526 7.522 -0.968 1.00 0.00 N ATOM 1265 CA LYS A 80 -11.320 6.795 0.017 1.00 0.00 C ATOM 1266 C LYS A 80 -11.633 5.404 -0.539 1.00 0.00 C ATOM 1267 O LYS A 80 -11.868 5.229 -1.728 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.608 7.565 0.306 1.00 0.00 C ATOM 1269 CG LYS A 80 -13.462 6.857 1.358 1.00 0.00 C ATOM 1270 CD LYS A 80 -14.780 7.594 1.600 1.00 0.00 C ATOM 1271 CE LYS A 80 -14.558 8.925 2.319 1.00 0.00 C ATOM 1272 NZ LYS A 80 -15.781 9.712 2.423 1.00 0.00 N ATOM 0 H LYS A 80 -10.764 7.336 -1.942 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.767 6.693 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.363 8.569 0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.181 7.676 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.669 5.837 1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.906 6.788 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.277 7.773 0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.445 6.966 2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.166 8.734 3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.803 9.502 1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.579 10.604 2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.143 9.919 1.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.495 9.175 2.956 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.621 4.425 0.391 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.878 3.077 -0.043 1.00 0.00 C ATOM 1288 C PHE A 81 -12.455 2.229 1.091 1.00 0.00 C ATOM 1289 O PHE A 81 -12.502 2.624 2.253 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.565 2.491 -0.507 1.00 0.00 C ATOM 1291 CG PHE A 81 -10.092 3.169 -1.754 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.760 2.951 -2.982 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.977 4.042 -1.716 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -10.321 3.598 -4.158 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.537 4.688 -2.893 1.00 0.00 C ATOM 1296 CZ PHE A 81 -9.209 4.466 -4.114 1.00 0.00 C ATOM 0 H PHE A 81 -11.445 4.550 1.388 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.612 3.083 -0.849 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.816 2.599 0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.683 1.423 -0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -11.610 2.286 -3.020 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.461 4.215 -0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.837 3.428 -5.092 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.686 5.352 -2.858 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.873 4.960 -5.014 1.00 0.00 H new ATOM 1306 N ASP A 82 -12.866 1.020 0.658 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.443 0.088 1.609 1.00 0.00 C ATOM 1308 C ASP A 82 -12.329 -0.677 2.321 1.00 0.00 C ATOM 1309 O ASP A 82 -12.250 -0.707 3.543 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.370 -0.878 0.875 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.010 -1.844 1.874 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -14.588 -1.860 3.029 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -15.924 -2.570 1.485 1.00 0.00 O ATOM 0 H ASP A 82 -12.808 0.688 -0.305 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.021 0.634 2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.144 -0.322 0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.809 -1.435 0.125 1.00 0.00 H new ATOM 1318 N THR A 83 -11.473 -1.293 1.479 1.00 0.00 N ATOM 1319 CA THR A 83 -10.380 -2.047 2.045 1.00 0.00 C ATOM 1320 C THR A 83 -9.144 -1.813 1.192 1.00 0.00 C ATOM 1321 O THR A 83 -9.190 -1.176 0.147 1.00 0.00 O ATOM 1322 CB THR A 83 -10.744 -3.530 2.077 1.00 0.00 C ATOM 1323 OG1 THR A 83 -10.845 -4.014 0.761 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.059 -3.775 2.815 1.00 0.00 C ATOM 0 H THR A 83 -11.525 -1.277 0.460 1.00 0.00 H new ATOM 0 HA THR A 83 -10.180 -1.724 3.067 1.00 0.00 H new ATOM 0 HB THR A 83 -9.957 -4.059 2.614 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.077 -4.966 0.779 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.283 -4.842 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.971 -3.422 3.843 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.863 -3.236 2.314 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.043 -2.367 1.707 1.00 0.00 N ATOM 1333 CA LEU A 84 -6.802 -2.227 1.012 1.00 0.00 C ATOM 1334 C LEU A 84 -6.831 -2.904 -0.356 1.00 0.00 C ATOM 1335 O LEU A 84 -5.894 -2.820 -1.133 1.00 0.00 O ATOM 1336 CB LEU A 84 -5.767 -2.892 1.886 1.00 0.00 C ATOM 1337 CG LEU A 84 -4.998 -1.907 2.756 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -3.929 -2.653 3.556 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.367 -0.808 1.901 1.00 0.00 C ATOM 0 H LEU A 84 -8.003 -2.897 2.577 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.586 -1.174 0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.257 -3.626 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.064 -3.437 1.256 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.691 -1.432 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.380 -1.946 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.405 -3.401 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.239 -3.145 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.823 -0.115 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.679 -1.255 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.149 -0.269 1.366 1.00 0.00 H new ATOM 1351 N TRP A 85 -7.957 -3.567 -0.588 1.00 0.00 N ATOM 1352 CA TRP A 85 -8.118 -4.258 -1.854 1.00 0.00 C ATOM 1353 C TRP A 85 -8.680 -3.302 -2.884 1.00 0.00 C ATOM 1354 O TRP A 85 -8.421 -3.399 -4.077 1.00 0.00 O ATOM 1355 CB TRP A 85 -9.095 -5.406 -1.660 1.00 0.00 C ATOM 1356 CG TRP A 85 -8.438 -6.713 -2.035 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -8.153 -7.127 -3.335 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -8.001 -7.747 -1.153 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -7.566 -8.359 -3.299 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -7.451 -8.783 -1.971 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -8.027 -7.882 0.230 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -6.937 -9.936 -1.396 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -7.505 -9.057 0.827 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -6.959 -10.085 0.013 1.00 0.00 C ATOM 0 H TRP A 85 -8.743 -3.639 0.058 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.154 -4.634 -2.195 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -9.426 -5.441 -0.622 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.982 -5.247 -2.273 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.364 -6.562 -4.231 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.259 -8.889 -4.115 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -8.442 -7.097 0.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -6.523 -10.715 -2.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -7.522 -9.171 1.901 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -6.561 -10.980 0.468 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.461 -2.373 -2.331 1.00 0.00 N ATOM 1376 CA GLN A 86 -10.085 -1.405 -3.203 1.00 0.00 C ATOM 1377 C GLN A 86 -9.154 -0.239 -3.416 1.00 0.00 C ATOM 1378 O GLN A 86 -8.994 0.262 -4.512 1.00 0.00 O ATOM 1379 CB GLN A 86 -11.417 -0.949 -2.613 1.00 0.00 C ATOM 1380 CG GLN A 86 -12.439 -2.085 -2.592 1.00 0.00 C ATOM 1381 CD GLN A 86 -12.628 -2.638 -4.006 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -13.161 -1.981 -4.892 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -12.154 -3.888 -4.149 1.00 0.00 N ATOM 0 H GLN A 86 -9.664 -2.278 -1.336 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.287 -1.864 -4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.260 -0.581 -1.599 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.809 -0.116 -3.197 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.102 -2.877 -1.924 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.391 -1.723 -2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.723 -4.364 -3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.225 -4.360 -5.050 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.537 0.155 -2.311 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.622 1.258 -2.439 1.00 0.00 C ATOM 1394 C LEU A 87 -6.428 0.853 -3.295 1.00 0.00 C ATOM 1395 O LEU A 87 -5.849 1.669 -3.992 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.183 1.705 -1.045 1.00 0.00 C ATOM 1397 CG LEU A 87 -6.142 2.822 -1.089 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -5.964 3.428 0.302 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.803 2.291 -1.604 1.00 0.00 C ATOM 0 H LEU A 87 -8.646 -0.246 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.114 2.094 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.054 2.046 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.772 0.851 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.494 3.595 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.220 4.223 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.914 3.838 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.631 2.656 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.075 3.102 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.446 1.502 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.933 1.890 -2.609 1.00 0.00 H new ATOM 1411 N VAL A 88 -6.117 -0.453 -3.233 1.00 0.00 N ATOM 1412 CA VAL A 88 -5.001 -0.914 -3.993 1.00 0.00 C ATOM 1413 C VAL A 88 -5.407 -1.195 -5.419 1.00 0.00 C ATOM 1414 O VAL A 88 -4.699 -0.865 -6.348 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.471 -2.182 -3.383 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.603 -2.885 -4.404 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.689 -1.874 -2.116 1.00 0.00 C ATOM 0 H VAL A 88 -6.610 -1.159 -2.686 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.234 -0.139 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.298 -2.836 -3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.211 -3.807 -3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.197 -3.119 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.774 -2.235 -4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.312 -2.802 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.852 -1.219 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.342 -1.380 -1.396 1.00 0.00 H new ATOM 1427 N GLU A 89 -6.560 -1.866 -5.536 1.00 0.00 N ATOM 1428 CA GLU A 89 -6.981 -2.193 -6.881 1.00 0.00 C ATOM 1429 C GLU A 89 -7.278 -0.924 -7.643 1.00 0.00 C ATOM 1430 O GLU A 89 -6.915 -0.760 -8.802 1.00 0.00 O ATOM 1431 CB GLU A 89 -8.191 -3.087 -6.845 1.00 0.00 C ATOM 1432 CG GLU A 89 -9.398 -2.406 -6.234 1.00 0.00 C ATOM 1433 CD GLU A 89 -10.357 -1.945 -7.334 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -11.088 -2.781 -7.863 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -10.363 -0.756 -7.648 1.00 0.00 O ATOM 0 H GLU A 89 -7.169 -2.168 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.178 -2.727 -7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.433 -3.407 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.958 -3.986 -6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.910 -3.093 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.079 -1.551 -5.637 1.00 0.00 H new ATOM 1442 N HIS A 90 -7.960 -0.039 -6.917 1.00 0.00 N ATOM 1443 CA HIS A 90 -8.299 1.214 -7.558 1.00 0.00 C ATOM 1444 C HIS A 90 -7.038 1.875 -8.035 1.00 0.00 C ATOM 1445 O HIS A 90 -6.865 2.207 -9.194 1.00 0.00 O ATOM 1446 CB HIS A 90 -9.012 2.138 -6.590 1.00 0.00 C ATOM 1447 CG HIS A 90 -9.839 3.134 -7.368 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -11.127 2.935 -7.720 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -9.443 4.395 -7.848 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -11.511 4.033 -8.392 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -10.512 4.930 -8.482 1.00 0.00 N ATOM 0 H HIS A 90 -8.268 -0.157 -5.952 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.963 1.011 -8.398 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.651 1.561 -5.922 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.286 2.659 -5.966 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -8.470 4.850 -7.733 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -12.497 4.178 -8.808 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -10.553 5.840 -8.941 1.00 0.00 H new ATOM 1459 N TYR A 91 -6.187 2.055 -7.042 1.00 0.00 N ATOM 1460 CA TYR A 91 -4.918 2.681 -7.331 1.00 0.00 C ATOM 1461 C TYR A 91 -4.141 1.842 -8.344 1.00 0.00 C ATOM 1462 O TYR A 91 -3.276 2.339 -9.053 1.00 0.00 O ATOM 1463 CB TYR A 91 -4.134 2.877 -6.050 1.00 0.00 C ATOM 1464 CG TYR A 91 -4.518 4.184 -5.401 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -5.858 4.648 -5.475 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -3.559 4.970 -4.712 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -6.234 5.866 -4.873 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.941 6.195 -4.110 1.00 0.00 C ATOM 1469 CZ TYR A 91 -5.275 6.638 -4.190 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.643 7.831 -3.600 1.00 0.00 O ATOM 0 H TYR A 91 -6.343 1.789 -6.070 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.088 3.663 -7.772 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -4.329 2.051 -5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.065 2.869 -6.264 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.598 4.061 -5.999 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.535 4.634 -4.646 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.257 6.207 -4.936 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -3.206 6.790 -3.588 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.090 7.650 -2.747 1.00 0.00 H new ATOM 1480 N SER A 92 -4.491 0.538 -8.376 1.00 0.00 N ATOM 1481 CA SER A 92 -3.835 -0.305 -9.359 1.00 0.00 C ATOM 1482 C SER A 92 -4.154 0.225 -10.762 1.00 0.00 C ATOM 1483 O SER A 92 -3.534 -0.133 -11.755 1.00 0.00 O ATOM 1484 CB SER A 92 -4.371 -1.707 -9.211 1.00 0.00 C ATOM 1485 OG SER A 92 -3.338 -2.657 -9.282 1.00 0.00 O ATOM 0 H SER A 92 -5.176 0.084 -7.773 1.00 0.00 H new ATOM 0 HA SER A 92 -2.755 -0.302 -9.210 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.890 -1.802 -8.257 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.104 -1.903 -9.994 1.00 0.00 H new ATOM 0 HG SER A 92 -3.713 -3.557 -9.181 1.00 0.00 H new ATOM 1491 N TYR A 93 -5.170 1.105 -10.748 1.00 0.00 N ATOM 1492 CA TYR A 93 -5.621 1.703 -11.981 1.00 0.00 C ATOM 1493 C TYR A 93 -4.824 2.961 -12.229 1.00 0.00 C ATOM 1494 O TYR A 93 -4.191 3.147 -13.257 1.00 0.00 O ATOM 1495 CB TYR A 93 -7.091 2.084 -11.842 1.00 0.00 C ATOM 1496 CG TYR A 93 -7.951 0.929 -11.408 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -7.478 -0.404 -11.499 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -9.247 1.170 -10.896 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -8.291 -1.482 -11.084 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -10.063 0.092 -10.480 1.00 0.00 C ATOM 1501 CZ TYR A 93 -9.584 -1.234 -10.573 1.00 0.00 C ATOM 1502 OH TYR A 93 -10.377 -2.286 -10.159 1.00 0.00 O ATOM 0 H TYR A 93 -5.673 1.402 -9.911 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.491 0.999 -12.803 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.185 2.894 -11.119 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.455 2.465 -12.796 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.489 -0.597 -11.888 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.616 2.182 -10.822 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.924 -2.495 -11.157 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.052 0.283 -10.091 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.044 -1.961 -9.519 1.00 0.00 H new ATOM 1512 N LYS A 94 -4.978 3.825 -11.218 1.00 0.00 N ATOM 1513 CA LYS A 94 -4.307 5.088 -11.235 1.00 0.00 C ATOM 1514 C LYS A 94 -3.614 5.364 -9.918 1.00 0.00 C ATOM 1515 O LYS A 94 -3.641 4.596 -8.969 1.00 0.00 O ATOM 1516 CB LYS A 94 -5.359 6.146 -11.411 1.00 0.00 C ATOM 1517 CG LYS A 94 -6.513 5.932 -10.420 1.00 0.00 C ATOM 1518 CD LYS A 94 -7.665 6.902 -10.669 1.00 0.00 C ATOM 1519 CE LYS A 94 -8.633 6.353 -11.718 1.00 0.00 C ATOM 1520 NZ LYS A 94 -9.690 7.300 -12.051 1.00 0.00 N ATOM 0 H LYS A 94 -5.559 3.657 -10.396 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.565 5.084 -12.033 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.920 7.132 -11.259 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.740 6.121 -12.432 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.877 4.908 -10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.145 6.059 -9.402 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.200 7.083 -9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.270 7.862 -11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.079 6.099 -12.622 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.080 5.430 -11.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.319 6.881 -12.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.238 7.524 -11.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.268 8.172 -12.430 1.00 0.00 H new ATOM 1534 N ALA A 95 -3.008 6.543 -9.959 1.00 0.00 N ATOM 1535 CA ALA A 95 -2.320 7.031 -8.779 1.00 0.00 C ATOM 1536 C ALA A 95 -3.352 7.666 -7.841 1.00 0.00 C ATOM 1537 O ALA A 95 -3.362 7.441 -6.640 1.00 0.00 O ATOM 1538 CB ALA A 95 -1.261 8.053 -9.186 1.00 0.00 C ATOM 0 H ALA A 95 -2.979 7.160 -10.771 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.821 6.210 -8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.746 8.417 -8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.540 7.583 -9.856 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.739 8.889 -9.696 1.00 0.00 H new ATOM 1544 N ASP A 96 -4.230 8.460 -8.484 1.00 0.00 N ATOM 1545 CA ASP A 96 -5.276 9.129 -7.711 1.00 0.00 C ATOM 1546 C ASP A 96 -4.709 10.286 -6.887 1.00 0.00 C ATOM 1547 O ASP A 96 -5.431 11.103 -6.329 1.00 0.00 O ATOM 1548 CB ASP A 96 -5.957 8.122 -6.806 1.00 0.00 C ATOM 1549 CG ASP A 96 -7.429 7.971 -7.198 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -8.000 8.926 -7.722 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -7.989 6.898 -6.974 1.00 0.00 O ATOM 0 H ASP A 96 -4.235 8.644 -9.487 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.004 9.547 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.453 7.158 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.881 8.445 -5.768 1.00 0.00 H new ATOM 1556 N GLY A 97 -3.382 10.288 -6.858 1.00 0.00 N ATOM 1557 CA GLY A 97 -2.691 11.328 -6.114 1.00 0.00 C ATOM 1558 C GLY A 97 -1.242 10.940 -5.776 1.00 0.00 C ATOM 1559 O GLY A 97 -0.415 11.783 -5.452 1.00 0.00 O ATOM 0 H GLY A 97 -2.782 9.607 -7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.691 12.249 -6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.234 11.534 -5.192 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.993 9.617 -5.870 1.00 0.00 N ATOM 1564 CA LEU A 98 0.340 9.141 -5.566 1.00 0.00 C ATOM 1565 C LEU A 98 1.347 9.897 -6.419 1.00 0.00 C ATOM 1566 O LEU A 98 1.063 10.936 -7.002 1.00 0.00 O ATOM 1567 CB LEU A 98 0.433 7.663 -5.918 1.00 0.00 C ATOM 1568 CG LEU A 98 -0.688 6.862 -5.290 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -0.757 5.476 -5.909 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -0.477 6.781 -3.782 1.00 0.00 C ATOM 0 H LEU A 98 -1.670 8.904 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 98 0.549 9.294 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.401 7.545 -7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.393 7.269 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.639 7.360 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.567 4.911 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.940 5.564 -6.980 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.187 4.956 -5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.285 6.204 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.476 6.295 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.471 7.786 -3.361 1.00 0.00 H new ATOM 1582 N LEU A 99 2.539 9.287 -6.457 1.00 0.00 N ATOM 1583 CA LEU A 99 3.578 9.851 -7.291 1.00 0.00 C ATOM 1584 C LEU A 99 3.271 9.438 -8.735 1.00 0.00 C ATOM 1585 O LEU A 99 3.333 10.226 -9.672 1.00 0.00 O ATOM 1586 CB LEU A 99 4.934 9.314 -6.845 1.00 0.00 C ATOM 1587 CG LEU A 99 6.029 10.369 -6.983 1.00 0.00 C ATOM 1588 CD1 LEU A 99 6.083 10.896 -8.412 1.00 0.00 C ATOM 1589 CD2 LEU A 99 5.789 11.517 -6.001 1.00 0.00 C ATOM 0 H LEU A 99 2.790 8.443 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 99 3.609 10.938 -7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.873 8.986 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.194 8.439 -7.441 1.00 0.00 H new ATOM 0 HG LEU A 99 6.987 9.906 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.869 11.647 -8.493 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.295 10.074 -9.095 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.124 11.345 -8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.578 12.261 -6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.824 11.978 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.794 11.131 -4.982 1.00 0.00 H new ATOM 1601 N ARG A 100 2.929 8.136 -8.824 1.00 0.00 N ATOM 1602 CA ARG A 100 2.570 7.565 -10.100 1.00 0.00 C ATOM 1603 C ARG A 100 1.717 6.325 -9.835 1.00 0.00 C ATOM 1604 O ARG A 100 1.790 5.710 -8.778 1.00 0.00 O ATOM 1605 CB ARG A 100 3.831 7.178 -10.849 1.00 0.00 C ATOM 1606 CG ARG A 100 3.581 7.011 -12.349 1.00 0.00 C ATOM 1607 CD ARG A 100 3.917 8.287 -13.122 1.00 0.00 C ATOM 1608 NE ARG A 100 4.060 7.993 -14.538 1.00 0.00 N ATOM 1609 CZ ARG A 100 2.970 7.622 -15.235 1.00 0.00 C ATOM 1610 NH1 ARG A 100 1.788 7.538 -14.629 1.00 0.00 N ATOM 1611 NH2 ARG A 100 3.073 7.340 -16.531 1.00 0.00 N ATOM 0 H ARG A 100 2.899 7.488 -8.037 1.00 0.00 H new ATOM 0 HA ARG A 100 2.012 8.282 -10.702 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.594 7.940 -10.692 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.223 6.246 -10.441 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.183 6.186 -12.729 1.00 0.00 H new ATOM 0 HG3 ARG A 100 2.537 6.748 -12.517 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.131 9.028 -12.975 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.840 8.721 -12.738 1.00 0.00 H new ATOM 0 HE ARG A 100 4.969 8.066 -14.995 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.708 7.755 -13.636 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.963 7.257 -15.158 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.978 7.405 -16.997 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.247 7.059 -17.059 1.00 0.00 H new ATOM 1625 N VAL A 101 0.911 6.000 -10.853 1.00 0.00 N ATOM 1626 CA VAL A 101 0.066 4.844 -10.727 1.00 0.00 C ATOM 1627 C VAL A 101 0.891 3.652 -10.241 1.00 0.00 C ATOM 1628 O VAL A 101 2.109 3.706 -10.120 1.00 0.00 O ATOM 1629 CB VAL A 101 -0.487 4.513 -12.095 1.00 0.00 C ATOM 1630 CG1 VAL A 101 -1.700 3.634 -11.957 1.00 0.00 C ATOM 1631 CG2 VAL A 101 -0.835 5.783 -12.878 1.00 0.00 C ATOM 0 H VAL A 101 0.837 6.509 -11.734 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.736 5.048 -10.017 1.00 0.00 H new ATOM 0 HB VAL A 101 0.282 3.979 -12.654 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.094 3.399 -12.946 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.424 2.711 -11.448 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.462 4.154 -11.377 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.230 5.510 -13.857 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.585 6.354 -12.330 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.062 6.390 -13.005 1.00 0.00 H new ATOM 1641 N LEU A 102 0.131 2.579 -9.980 1.00 0.00 N ATOM 1642 CA LEU A 102 0.764 1.338 -9.571 1.00 0.00 C ATOM 1643 C LEU A 102 0.771 0.399 -10.757 1.00 0.00 C ATOM 1644 O LEU A 102 -0.009 0.522 -11.694 1.00 0.00 O ATOM 1645 CB LEU A 102 -0.023 0.686 -8.453 1.00 0.00 C ATOM 1646 CG LEU A 102 0.142 1.403 -7.119 1.00 0.00 C ATOM 1647 CD1 LEU A 102 0.028 2.910 -7.280 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -0.907 0.902 -6.129 1.00 0.00 C ATOM 0 H LEU A 102 -0.887 2.552 -10.044 1.00 0.00 H new ATOM 0 HA LEU A 102 1.775 1.547 -9.223 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.079 0.667 -8.722 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.298 -0.350 -8.345 1.00 0.00 H new ATOM 0 HG LEU A 102 1.139 1.182 -6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.151 3.390 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.804 3.263 -7.960 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.952 3.159 -7.687 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.784 1.418 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.904 1.100 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.783 -0.170 -5.979 1.00 0.00 H new ATOM 1660 N THR A 103 1.702 -0.542 -10.647 1.00 0.00 N ATOM 1661 CA THR A 103 1.823 -1.508 -11.694 1.00 0.00 C ATOM 1662 C THR A 103 2.345 -2.842 -11.134 1.00 0.00 C ATOM 1663 O THR A 103 2.019 -3.912 -11.634 1.00 0.00 O ATOM 1664 CB THR A 103 2.767 -0.924 -12.731 1.00 0.00 C ATOM 1665 OG1 THR A 103 2.026 -0.207 -13.687 1.00 0.00 O ATOM 1666 CG2 THR A 103 3.587 -1.991 -13.418 1.00 0.00 C ATOM 0 H THR A 103 2.354 -0.644 -9.869 1.00 0.00 H new ATOM 0 HA THR A 103 0.856 -1.721 -12.150 1.00 0.00 H new ATOM 0 HB THR A 103 3.460 -0.260 -12.214 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.204 0.133 -13.276 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.247 -1.527 -14.151 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.184 -2.524 -12.678 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.922 -2.693 -13.922 1.00 0.00 H new ATOM 1674 N VAL A 104 3.169 -2.714 -10.071 1.00 0.00 N ATOM 1675 CA VAL A 104 3.724 -3.934 -9.490 1.00 0.00 C ATOM 1676 C VAL A 104 3.815 -3.855 -7.971 1.00 0.00 C ATOM 1677 O VAL A 104 4.064 -2.805 -7.396 1.00 0.00 O ATOM 1678 CB VAL A 104 5.149 -4.119 -9.990 1.00 0.00 C ATOM 1679 CG1 VAL A 104 5.589 -5.576 -9.844 1.00 0.00 C ATOM 1680 CG2 VAL A 104 5.303 -3.665 -11.437 1.00 0.00 C ATOM 0 H VAL A 104 3.445 -1.837 -9.629 1.00 0.00 H new ATOM 0 HA VAL A 104 3.065 -4.752 -9.779 1.00 0.00 H new ATOM 0 HB VAL A 104 5.793 -3.492 -9.373 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.611 -5.686 -10.207 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.544 -5.866 -8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.926 -6.216 -10.426 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.334 -3.813 -11.757 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.638 -4.248 -12.074 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.047 -2.608 -11.516 1.00 0.00 H new ATOM 1690 N PRO A 105 3.603 -5.042 -7.342 1.00 0.00 N ATOM 1691 CA PRO A 105 3.771 -5.189 -5.911 1.00 0.00 C ATOM 1692 C PRO A 105 5.269 -5.177 -5.610 1.00 0.00 C ATOM 1693 O PRO A 105 6.069 -5.714 -6.367 1.00 0.00 O ATOM 1694 CB PRO A 105 3.153 -6.536 -5.547 1.00 0.00 C ATOM 1695 CG PRO A 105 2.795 -7.233 -6.872 1.00 0.00 C ATOM 1696 CD PRO A 105 3.087 -6.231 -7.998 1.00 0.00 C ATOM 0 HA PRO A 105 3.297 -4.391 -5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.853 -7.139 -4.970 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.265 -6.400 -4.929 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.384 -8.141 -7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.746 -7.529 -6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.813 -6.635 -8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.184 -6.005 -8.565 1.00 0.00 H new ATOM 1704 N CYS A 106 5.610 -4.540 -4.490 1.00 0.00 N ATOM 1705 CA CYS A 106 7.032 -4.425 -4.215 1.00 0.00 C ATOM 1706 C CYS A 106 7.581 -5.585 -3.399 1.00 0.00 C ATOM 1707 O CYS A 106 8.493 -6.282 -3.825 1.00 0.00 O ATOM 1708 CB CYS A 106 7.319 -3.112 -3.516 1.00 0.00 C ATOM 1709 SG CYS A 106 8.986 -2.511 -3.870 1.00 0.00 S ATOM 0 H CYS A 106 4.974 -4.126 -3.808 1.00 0.00 H new ATOM 0 HA CYS A 106 7.542 -4.455 -5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.590 -2.366 -3.831 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.200 -3.240 -2.440 1.00 0.00 H new ATOM 0 HG CYS A 106 8.916 -1.458 -4.629 1.00 0.00 H new ATOM 1715 N GLN A 107 6.994 -5.739 -2.202 1.00 0.00 N ATOM 1716 CA GLN A 107 7.478 -6.774 -1.332 1.00 0.00 C ATOM 1717 C GLN A 107 7.839 -8.025 -2.100 1.00 0.00 C ATOM 1718 O GLN A 107 7.454 -8.255 -3.240 1.00 0.00 O ATOM 1719 CB GLN A 107 6.446 -7.076 -0.283 1.00 0.00 C ATOM 1720 CG GLN A 107 7.088 -7.200 1.089 1.00 0.00 C ATOM 1721 CD GLN A 107 7.785 -8.552 1.241 1.00 0.00 C ATOM 1722 OE1 GLN A 107 8.930 -8.646 1.665 1.00 0.00 O ATOM 1723 NE2 GLN A 107 7.015 -9.588 0.865 1.00 0.00 N ATOM 0 H GLN A 107 6.220 -5.179 -1.843 1.00 0.00 H new ATOM 0 HA GLN A 107 8.388 -6.417 -0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.695 -6.286 -0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.929 -8.003 -0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.809 -6.396 1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.328 -7.088 1.863 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.069 -9.422 0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.377 -10.540 0.923 1.00 0.00 H new ATOM 1732 N LYS A 108 8.604 -8.804 -1.354 1.00 0.00 N ATOM 1733 CA LYS A 108 9.108 -10.042 -1.884 1.00 0.00 C ATOM 1734 C LYS A 108 8.019 -11.067 -2.117 1.00 0.00 C ATOM 1735 O LYS A 108 6.832 -10.841 -1.912 1.00 0.00 O ATOM 1736 CB LYS A 108 10.122 -10.573 -0.903 1.00 0.00 C ATOM 1737 CG LYS A 108 11.427 -9.850 -1.114 1.00 0.00 C ATOM 1738 CD LYS A 108 12.395 -10.057 0.044 1.00 0.00 C ATOM 1739 CE LYS A 108 12.954 -11.480 0.065 1.00 0.00 C ATOM 1740 NZ LYS A 108 13.637 -11.791 1.316 1.00 0.00 N ATOM 0 H LYS A 108 8.882 -8.598 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 108 9.556 -9.852 -2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.771 -10.427 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.258 -11.645 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.888 -10.199 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.234 -8.784 -1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.216 -9.344 -0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.886 -9.852 0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.141 -12.189 -0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.648 -11.607 -0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.998 -12.766 1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.431 -11.133 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.970 -11.697 2.108 1.00 0.00 H new ATOM 1754 N ILE A 109 8.543 -12.217 -2.566 1.00 0.00 N ATOM 1755 CA ILE A 109 7.663 -13.332 -2.856 1.00 0.00 C ATOM 1756 C ILE A 109 8.075 -14.537 -2.013 1.00 0.00 C ATOM 1757 O ILE A 109 7.396 -14.934 -1.074 1.00 0.00 O ATOM 1758 CB ILE A 109 7.721 -13.660 -4.350 1.00 0.00 C ATOM 1759 CG1 ILE A 109 6.919 -14.928 -4.648 1.00 0.00 C ATOM 1760 CG2 ILE A 109 9.167 -13.828 -4.826 1.00 0.00 C ATOM 1761 CD1 ILE A 109 5.417 -14.648 -4.684 1.00 0.00 C ATOM 0 H ILE A 109 9.536 -12.387 -2.728 1.00 0.00 H new ATOM 0 HA ILE A 109 6.636 -13.069 -2.604 1.00 0.00 H new ATOM 0 HB ILE A 109 7.280 -12.824 -4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.235 -15.343 -5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.131 -15.680 -3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.175 -14.060 -5.891 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.717 -12.903 -4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 109 9.640 -14.640 -4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 109 4.880 -15.572 -4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.096 -14.257 -3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.202 -13.915 -5.461 1.00 0.00 H new ATOM 1773 N GLY A 110 9.231 -15.084 -2.417 1.00 0.00 N ATOM 1774 CA GLY A 110 9.744 -16.238 -1.704 1.00 0.00 C ATOM 1775 C GLY A 110 10.812 -15.825 -0.689 1.00 0.00 C ATOM 1776 O GLY A 110 10.589 -14.995 0.184 1.00 0.00 O ATOM 0 H GLY A 110 9.799 -14.757 -3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 110 8.927 -16.746 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 110 10.167 -16.950 -2.413 1.00 0.00 H new ATOM 1780 N THR A 111 11.982 -16.463 -0.870 1.00 0.00 N ATOM 1781 CA THR A 111 13.084 -16.163 0.027 1.00 0.00 C ATOM 1782 C THR A 111 13.927 -15.035 -0.556 1.00 0.00 C ATOM 1783 O THR A 111 14.287 -14.078 0.118 1.00 0.00 O ATOM 1784 CB THR A 111 13.934 -17.418 0.226 1.00 0.00 C ATOM 1785 OG1 THR A 111 14.745 -17.258 1.363 1.00 0.00 O ATOM 1786 CG2 THR A 111 14.814 -17.712 -0.990 1.00 0.00 C ATOM 0 H THR A 111 12.174 -17.154 -1.595 1.00 0.00 H new ATOM 0 HA THR A 111 12.695 -15.844 0.994 1.00 0.00 H new ATOM 0 HB THR A 111 13.257 -18.262 0.358 1.00 0.00 H new ATOM 0 HG1 THR A 111 15.289 -18.063 1.493 1.00 0.00 H new ATOM 0 HG21 THR A 111 15.401 -18.612 -0.805 1.00 0.00 H new ATOM 0 HG22 THR A 111 14.184 -17.863 -1.867 1.00 0.00 H new ATOM 0 HG23 THR A 111 15.485 -16.871 -1.166 1.00 0.00 H new ATOM 1794 N GLN A 112 14.211 -15.218 -1.854 1.00 0.00 N ATOM 1795 CA GLN A 112 15.011 -14.240 -2.534 1.00 0.00 C ATOM 1796 C GLN A 112 14.428 -13.972 -3.921 1.00 0.00 C ATOM 1797 O GLN A 112 13.844 -14.887 -4.500 1.00 0.00 O ATOM 1798 CB GLN A 112 16.430 -14.778 -2.643 1.00 0.00 C ATOM 1799 CG GLN A 112 17.241 -14.459 -1.389 1.00 0.00 C ATOM 1800 CD GLN A 112 18.671 -14.980 -1.547 1.00 0.00 C ATOM 1801 OE1 GLN A 112 19.477 -14.444 -2.298 1.00 0.00 O ATOM 1802 NE2 GLN A 112 18.923 -16.060 -0.785 1.00 0.00 N ATOM 1803 OXT GLN A 112 14.563 -12.850 -4.408 1.00 0.00 O ATOM 0 H GLN A 112 13.903 -16.009 -2.420 1.00 0.00 H new ATOM 0 HA GLN A 112 15.018 -13.300 -1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 112 16.402 -15.857 -2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 112 16.920 -14.345 -3.515 1.00 0.00 H new ATOM 0 HG2 GLN A 112 17.254 -13.383 -1.218 1.00 0.00 H new ATOM 0 HG3 GLN A 112 16.773 -14.915 -0.517 1.00 0.00 H new ATOM 0 HE21 GLN A 112 18.192 -16.443 -0.186 1.00 0.00 H new ATOM 0 HE22 GLN A 112 19.845 -16.495 -0.806 1.00 0.00 H new TER 1812 GLN A 112 HETATM 1813 C ACE B 0 5.821 11.794 7.949 1.00 0.00 C HETATM 1814 O ACE B 0 5.742 12.655 7.082 1.00 0.00 O HETATM 1815 CH3 ACE B 0 5.141 11.946 9.305 1.00 0.00 C HETATM 0 H1 ACE B 0 4.431 11.132 9.449 1.00 0.00 H new HETATM 0 H2 ACE B 0 5.892 11.916 10.094 1.00 0.00 H new HETATM 0 H3 ACE B 0 4.613 12.899 9.343 1.00 0.00 H new ATOM 1819 N THR B 1 6.484 10.634 7.829 1.00 0.00 N ATOM 1820 CA THR B 1 7.044 10.291 6.539 1.00 0.00 C ATOM 1821 C THR B 1 5.916 9.884 5.598 1.00 0.00 C ATOM 1822 O THR B 1 5.578 8.716 5.464 1.00 0.00 O ATOM 1823 CB THR B 1 8.034 9.144 6.708 1.00 0.00 C ATOM 1824 OG1 THR B 1 9.336 9.659 6.861 1.00 0.00 O ATOM 1825 CG2 THR B 1 8.000 8.182 5.519 1.00 0.00 C ATOM 0 H THR B 1 6.635 9.956 8.576 1.00 0.00 H new ATOM 0 HA THR B 1 7.568 11.149 6.117 1.00 0.00 H new ATOM 0 HB THR B 1 7.745 8.585 7.598 1.00 0.00 H new ATOM 0 HG1 THR B 1 9.969 8.919 6.971 1.00 0.00 H new ATOM 0 HG21 THR B 1 8.720 7.380 5.679 1.00 0.00 H new ATOM 0 HG22 THR B 1 7.000 7.758 5.422 1.00 0.00 H new ATOM 0 HG23 THR B 1 8.255 8.722 4.607 1.00 0.00 H new HETATM 1833 N PTR B 2 5.334 10.917 4.981 1.00 0.00 N HETATM 1834 CA PTR B 2 4.247 10.625 4.066 1.00 0.00 C HETATM 1835 C PTR B 2 4.182 11.627 2.936 1.00 0.00 C HETATM 1836 O PTR B 2 3.921 12.810 3.117 1.00 0.00 O HETATM 1837 CB PTR B 2 2.932 10.589 4.828 1.00 0.00 C HETATM 1838 CG PTR B 2 3.033 9.525 5.850 1.00 0.00 C HETATM 1839 CD1 PTR B 2 2.825 8.173 5.488 1.00 0.00 C HETATM 1840 CD2 PTR B 2 3.501 9.843 7.146 1.00 0.00 C HETATM 1841 CE1 PTR B 2 3.093 7.150 6.403 1.00 0.00 C HETATM 1842 CE2 PTR B 2 3.774 8.824 8.067 1.00 0.00 C HETATM 1843 CZ PTR B 2 3.566 7.480 7.691 1.00 0.00 C HETATM 1844 OH PTR B 2 3.840 6.457 8.607 1.00 0.00 O HETATM 1845 P PTR B 2 2.633 5.763 9.312 1.00 0.00 P HETATM 1846 O1P PTR B 2 3.165 4.362 9.710 1.00 0.00 O HETATM 1847 O2P PTR B 2 2.394 6.598 10.596 1.00 0.00 O HETATM 1848 O3P PTR B 2 1.416 5.690 8.437 1.00 0.00 O HETATM 0 HE2 PTR B 2 4.143 9.066 9.064 1.00 0.00 H new HETATM 0 HE1 PTR B 2 2.938 6.108 6.124 1.00 0.00 H new HETATM 0 HD2 PTR B 2 3.650 10.885 7.429 1.00 0.00 H new HETATM 0 HD1 PTR B 2 2.455 7.928 4.493 1.00 0.00 H new HETATM 0 HB3 PTR B 2 2.736 11.553 5.298 1.00 0.00 H new HETATM 0 HB2 PTR B 2 2.102 10.390 4.150 1.00 0.00 H new HETATM 0 HA PTR B 2 4.431 9.648 3.619 1.00 0.00 H new HETATM 0 H PTR B 2 5.939 11.721 4.814 1.00 0.00 H new ATOM 1857 N GLU B 3 4.439 11.056 1.755 1.00 0.00 N ATOM 1858 CA GLU B 3 4.375 11.890 0.570 1.00 0.00 C ATOM 1859 C GLU B 3 3.001 12.529 0.542 1.00 0.00 C ATOM 1860 O GLU B 3 2.215 12.389 1.471 1.00 0.00 O ATOM 1861 CB GLU B 3 4.612 11.076 -0.691 1.00 0.00 C ATOM 1862 CG GLU B 3 6.038 11.252 -1.177 1.00 0.00 C ATOM 1863 CD GLU B 3 6.057 12.095 -2.454 1.00 0.00 C ATOM 1864 OE1 GLU B 3 5.130 12.878 -2.655 1.00 0.00 O ATOM 1865 OE2 GLU B 3 6.999 11.957 -3.234 1.00 0.00 O ATOM 0 H GLU B 3 4.679 10.076 1.604 1.00 0.00 H new ATOM 0 HA GLU B 3 5.155 12.651 0.605 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.417 10.022 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU B 3 3.915 11.388 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.637 11.734 -0.404 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.488 10.278 -1.368 1.00 0.00 H new ATOM 1872 N THR B 4 2.750 13.234 -0.568 1.00 0.00 N ATOM 1873 CA THR B 4 1.453 13.858 -0.667 1.00 0.00 C ATOM 1874 C THR B 4 0.700 13.295 -1.853 1.00 0.00 C ATOM 1875 O THR B 4 0.962 13.582 -3.015 1.00 0.00 O ATOM 1876 CB THR B 4 1.601 15.368 -0.764 1.00 0.00 C ATOM 1877 OG1 THR B 4 2.845 15.688 -1.342 1.00 0.00 O ATOM 1878 CG2 THR B 4 1.486 16.039 0.605 1.00 0.00 C ATOM 0 H THR B 4 3.386 13.374 -1.353 1.00 0.00 H new ATOM 0 HA THR B 4 0.877 13.640 0.232 1.00 0.00 H new ATOM 0 HB THR B 4 0.790 15.741 -1.390 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.936 16.662 -1.404 1.00 0.00 H new ATOM 0 HG21 THR B 4 1.597 17.117 0.492 1.00 0.00 H new ATOM 0 HG22 THR B 4 0.510 15.818 1.038 1.00 0.00 H new ATOM 0 HG23 THR B 4 2.268 15.660 1.263 1.00 0.00 H new ATOM 1886 N LEU B 5 -0.256 12.467 -1.436 1.00 0.00 N ATOM 1887 CA LEU B 5 -1.090 11.794 -2.377 1.00 0.00 C ATOM 1888 C LEU B 5 -1.984 12.807 -3.102 1.00 0.00 C ATOM 1889 O LEU B 5 -1.691 13.250 -4.205 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.891 10.761 -1.604 1.00 0.00 C ATOM 1891 CG LEU B 5 -1.597 9.397 -2.163 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.905 8.308 -1.162 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -2.411 9.196 -3.408 1.00 0.00 C ATOM 0 H LEU B 5 -0.456 12.260 -0.457 1.00 0.00 H new ATOM 0 HA LEU B 5 -0.507 11.292 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.632 10.798 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.957 10.977 -1.679 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.534 9.337 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.680 7.336 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.297 8.452 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.960 8.349 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.205 8.209 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.471 9.274 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -2.149 9.959 -4.141 1.00 0.00 H new HETATM 1905 N NH2 B 6 -3.087 13.140 -2.411 1.00 0.00 N TER 1908 NH2 B 6