USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 821 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 LYS NZ :NH3+ -133:sc= 0.414 (180deg=-0.551) USER MOD Set 1.2: A 74 CYS SG : rot 40:sc= 0.108 USER MOD Set 2.1: A 17 GLN : amide:sc= 1.03 K(o=2.3,f=0.55) USER MOD Set 2.2: A 24 LYS NZ :NH3+ -144:sc= 1.29 (180deg=0.526) USER MOD Single : A 1 SER N :NH3+ -123:sc= 0.688 (180deg=-0.903!) USER MOD Single : A 1 SER OG : rot 180:sc=0.000225 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -59:sc= -2.04! USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -0.0501 (180deg=-0.296) USER MOD Single : A 10 MET CE :methyl 157:sc= -0.271 (180deg=-1.16) USER MOD Single : A 11 SER OG : rot -80:sc= 1.21 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 142:sc= 1.23 (180deg=1.07) USER MOD Single : A 19 SER OG : rot 180:sc= -2.32! USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 47 SER OG : rot 89:sc= 0.334 USER MOD Single : A 48 ASN : amide:sc= -0.025 X(o=-0.025,f=-0.41) USER MOD Single : A 58 THR OG1 : rot -11:sc= -0.332 USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 0.897 (180deg=0.741) USER MOD Single : A 62 SER OG : rot -128:sc= 0.666 USER MOD Single : A 63 THR OG1 : rot 176:sc= -0.0456 USER MOD Single : A 70 TYR OH : rot 167:sc= 1.03 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -92:sc= 1.27 USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0705) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -172:sc=-0.00196 (180deg=-0.0892) USER MOD Single : A 82 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : B 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 205 LYS NZ :NH3+ -162:sc= 0.394 (180deg=-0.336) USER MOD Single : B 207 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : B 208 LYS NZ :NH3+ 164:sc= -0.141! (180deg=-0.392!) USER MOD Single : B 209 THR OG1 : rot 15:sc= 0.861 USER MOD Single : B 211 GLN : amide:sc= 0.998 K(o=1,f=-0.073) USER MOD Single : B 212 ASN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.822 -2.357 -15.889 1.00 0.00 N ATOM 2 CA SER A 1 -12.535 -1.072 -15.221 1.00 0.00 C ATOM 3 C SER A 1 -13.509 -0.816 -14.071 1.00 0.00 C ATOM 4 O SER A 1 -13.117 -0.299 -13.027 1.00 0.00 O ATOM 5 CB SER A 1 -12.613 0.066 -16.239 1.00 0.00 C ATOM 6 OG SER A 1 -11.885 -0.255 -17.414 1.00 0.00 O ATOM 0 H1 SER A 1 -11.973 -2.958 -15.865 1.00 0.00 H new ATOM 0 H2 SER A 1 -13.601 -2.838 -15.396 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.094 -2.181 -16.877 1.00 0.00 H new ATOM 0 HA SER A 1 -11.529 -1.119 -14.804 1.00 0.00 H new ATOM 0 HB2 SER A 1 -13.655 0.261 -16.494 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.216 0.981 -15.799 1.00 0.00 H new ATOM 0 HG SER A 1 -11.950 0.486 -18.052 1.00 0.00 H new ATOM 14 N GLU A 2 -14.771 -1.212 -14.247 1.00 0.00 N ATOM 15 CA GLU A 2 -15.807 -0.926 -13.256 1.00 0.00 C ATOM 16 C GLU A 2 -15.581 -1.701 -11.953 1.00 0.00 C ATOM 17 O GLU A 2 -16.214 -1.415 -10.935 1.00 0.00 O ATOM 18 CB GLU A 2 -17.197 -1.250 -13.816 1.00 0.00 C ATOM 19 CG GLU A 2 -17.386 -2.714 -14.174 1.00 0.00 C ATOM 20 CD GLU A 2 -18.795 -3.023 -14.631 1.00 0.00 C ATOM 21 OE1 GLU A 2 -19.706 -3.059 -13.778 1.00 0.00 O ATOM 22 OE2 GLU A 2 -18.996 -3.237 -15.842 1.00 0.00 O ATOM 0 H GLU A 2 -15.098 -1.729 -15.063 1.00 0.00 H new ATOM 0 HA GLU A 2 -15.748 0.139 -13.031 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.950 -0.965 -13.082 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.372 -0.643 -14.704 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -16.684 -2.985 -14.963 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -17.145 -3.330 -13.308 1.00 0.00 H new ATOM 29 N GLU A 3 -14.678 -2.679 -11.996 1.00 0.00 N ATOM 30 CA GLU A 3 -14.370 -3.513 -10.833 1.00 0.00 C ATOM 31 C GLU A 3 -13.931 -2.656 -9.653 1.00 0.00 C ATOM 32 O GLU A 3 -14.309 -2.913 -8.510 1.00 0.00 O ATOM 33 CB GLU A 3 -13.251 -4.518 -11.143 1.00 0.00 C ATOM 34 CG GLU A 3 -13.451 -5.343 -12.406 1.00 0.00 C ATOM 35 CD GLU A 3 -13.167 -4.560 -13.665 1.00 0.00 C ATOM 36 OE1 GLU A 3 -11.994 -4.217 -13.913 1.00 0.00 O ATOM 37 OE2 GLU A 3 -14.116 -4.268 -14.416 1.00 0.00 O ATOM 0 H GLU A 3 -14.142 -2.916 -12.831 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.283 -4.054 -10.582 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.310 -3.974 -11.229 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.150 -5.198 -10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.800 -6.216 -12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.476 -5.711 -12.436 1.00 0.00 H new ATOM 44 N GLU A 4 -13.147 -1.622 -9.940 1.00 0.00 N ATOM 45 CA GLU A 4 -12.576 -0.785 -8.885 1.00 0.00 C ATOM 46 C GLU A 4 -13.640 0.127 -8.277 1.00 0.00 C ATOM 47 O GLU A 4 -13.448 0.691 -7.204 1.00 0.00 O ATOM 48 CB GLU A 4 -11.386 0.037 -9.408 1.00 0.00 C ATOM 49 CG GLU A 4 -11.719 0.928 -10.590 1.00 0.00 C ATOM 50 CD GLU A 4 -10.506 1.665 -11.118 1.00 0.00 C ATOM 51 OE1 GLU A 4 -10.139 2.703 -10.536 1.00 0.00 O ATOM 52 OE2 GLU A 4 -9.909 1.204 -12.111 1.00 0.00 O ATOM 0 H GLU A 4 -12.892 -1.343 -10.887 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.206 -1.446 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.002 0.656 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.586 -0.645 -9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.149 0.323 -11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.479 1.651 -10.294 1.00 0.00 H new ATOM 59 N ASP A 5 -14.763 0.258 -8.963 1.00 0.00 N ATOM 60 CA ASP A 5 -15.886 1.030 -8.449 1.00 0.00 C ATOM 61 C ASP A 5 -16.808 0.140 -7.619 1.00 0.00 C ATOM 62 O ASP A 5 -17.667 0.628 -6.886 1.00 0.00 O ATOM 63 CB ASP A 5 -16.681 1.682 -9.591 1.00 0.00 C ATOM 64 CG ASP A 5 -15.880 2.712 -10.367 1.00 0.00 C ATOM 65 OD1 ASP A 5 -15.807 3.877 -9.916 1.00 0.00 O ATOM 66 OD2 ASP A 5 -15.346 2.375 -11.447 1.00 0.00 O ATOM 0 H ASP A 5 -14.923 -0.161 -9.879 1.00 0.00 H new ATOM 0 HA ASP A 5 -15.484 1.820 -7.815 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -17.023 0.906 -10.276 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -17.571 2.158 -9.179 1.00 0.00 H new ATOM 71 N LYS A 6 -16.625 -1.175 -7.740 1.00 0.00 N ATOM 72 CA LYS A 6 -17.538 -2.136 -7.115 1.00 0.00 C ATOM 73 C LYS A 6 -17.030 -2.600 -5.747 1.00 0.00 C ATOM 74 O LYS A 6 -17.785 -3.182 -4.965 1.00 0.00 O ATOM 75 CB LYS A 6 -17.764 -3.352 -8.041 1.00 0.00 C ATOM 76 CG LYS A 6 -18.811 -4.338 -7.530 1.00 0.00 C ATOM 77 CD LYS A 6 -20.189 -3.702 -7.460 1.00 0.00 C ATOM 78 CE LYS A 6 -21.215 -4.658 -6.872 1.00 0.00 C ATOM 79 NZ LYS A 6 -22.565 -4.042 -6.793 1.00 0.00 N ATOM 0 H LYS A 6 -15.858 -1.599 -8.262 1.00 0.00 H new ATOM 0 HA LYS A 6 -18.488 -1.625 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -18.067 -2.994 -9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.818 -3.878 -8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.844 -5.208 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.524 -4.695 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.143 -2.798 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -20.503 -3.400 -8.459 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -21.263 -5.560 -7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.897 -4.964 -5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -23.235 -4.726 -6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -22.526 -3.196 -6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -22.880 -3.773 -7.747 1.00 0.00 H new ATOM 93 N CYS A 7 -15.771 -2.329 -5.440 1.00 0.00 N ATOM 94 CA CYS A 7 -15.178 -2.823 -4.204 1.00 0.00 C ATOM 95 C CYS A 7 -15.548 -1.928 -3.025 1.00 0.00 C ATOM 96 O CYS A 7 -15.646 -0.707 -3.159 1.00 0.00 O ATOM 97 CB CYS A 7 -13.650 -2.922 -4.352 1.00 0.00 C ATOM 98 SG CYS A 7 -13.017 -2.154 -5.857 1.00 0.00 S ATOM 0 H CYS A 7 -15.144 -1.775 -6.023 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.575 -3.818 -4.006 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.179 -2.452 -3.489 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.360 -3.973 -4.341 1.00 0.00 H new ATOM 0 HG CYS A 7 -13.562 -2.717 -6.894 1.00 0.00 H new ATOM 104 N LYS A 8 -15.777 -2.553 -1.878 1.00 0.00 N ATOM 105 CA LYS A 8 -16.165 -1.842 -0.672 1.00 0.00 C ATOM 106 C LYS A 8 -14.944 -1.559 0.201 1.00 0.00 C ATOM 107 O LYS A 8 -13.935 -2.261 0.106 1.00 0.00 O ATOM 108 CB LYS A 8 -17.196 -2.665 0.115 1.00 0.00 C ATOM 109 CG LYS A 8 -18.616 -2.574 -0.425 1.00 0.00 C ATOM 110 CD LYS A 8 -18.739 -3.166 -1.821 1.00 0.00 C ATOM 111 CE LYS A 8 -20.134 -2.983 -2.395 1.00 0.00 C ATOM 112 NZ LYS A 8 -20.501 -1.548 -2.518 1.00 0.00 N ATOM 0 H LYS A 8 -15.699 -3.563 -1.760 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.613 -0.891 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.886 -3.710 0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.193 -2.332 1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.294 -3.096 0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -18.929 -1.530 -0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.011 -2.694 -2.481 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.497 -4.228 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.188 -3.456 -3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.858 -3.489 -1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.322 -1.453 -3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.739 -1.169 -1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.698 -1.017 -2.912 1.00 0.00 H new ATOM 126 N PRO A 9 -15.013 -0.518 1.051 1.00 0.00 N ATOM 127 CA PRO A 9 -13.926 -0.174 1.967 1.00 0.00 C ATOM 128 C PRO A 9 -13.714 -1.237 3.030 1.00 0.00 C ATOM 129 O PRO A 9 -14.646 -1.944 3.415 1.00 0.00 O ATOM 130 CB PRO A 9 -14.379 1.119 2.644 1.00 0.00 C ATOM 131 CG PRO A 9 -15.572 1.597 1.882 1.00 0.00 C ATOM 132 CD PRO A 9 -16.155 0.399 1.186 1.00 0.00 C ATOM 0 HA PRO A 9 -12.984 -0.081 1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.631 0.942 3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.584 1.865 2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.303 2.048 2.553 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.288 2.362 1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.961 -0.049 1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.572 0.664 0.215 1.00 0.00 H new ATOM 140 N MET A 10 -12.486 -1.334 3.507 1.00 0.00 N ATOM 141 CA MET A 10 -12.161 -2.250 4.583 1.00 0.00 C ATOM 142 C MET A 10 -12.187 -1.512 5.918 1.00 0.00 C ATOM 143 O MET A 10 -12.174 -0.280 5.953 1.00 0.00 O ATOM 144 CB MET A 10 -10.798 -2.906 4.341 1.00 0.00 C ATOM 145 CG MET A 10 -9.654 -1.924 4.191 1.00 0.00 C ATOM 146 SD MET A 10 -8.084 -2.739 3.838 1.00 0.00 S ATOM 147 CE MET A 10 -8.494 -3.662 2.356 1.00 0.00 C ATOM 0 H MET A 10 -11.696 -0.787 3.164 1.00 0.00 H new ATOM 0 HA MET A 10 -12.909 -3.042 4.612 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.579 -3.578 5.170 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.857 -3.518 3.441 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.884 -1.223 3.388 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.559 -1.340 5.106 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.583 -3.875 1.797 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.978 -4.599 2.633 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.171 -3.074 1.736 1.00 0.00 H new ATOM 157 N SER A 11 -12.235 -2.267 7.002 1.00 0.00 N ATOM 158 CA SER A 11 -12.390 -1.695 8.334 1.00 0.00 C ATOM 159 C SER A 11 -11.095 -1.051 8.844 1.00 0.00 C ATOM 160 O SER A 11 -10.064 -1.097 8.169 1.00 0.00 O ATOM 161 CB SER A 11 -12.869 -2.772 9.314 1.00 0.00 C ATOM 162 OG SER A 11 -11.960 -3.861 9.373 1.00 0.00 O ATOM 0 H SER A 11 -12.169 -3.285 6.988 1.00 0.00 H new ATOM 0 HA SER A 11 -13.137 -0.905 8.266 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.983 -2.337 10.307 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.851 -3.132 9.009 1.00 0.00 H new ATOM 0 HG SER A 11 -12.111 -4.455 8.609 1.00 0.00 H new ATOM 168 N TYR A 12 -11.156 -0.466 10.037 1.00 0.00 N ATOM 169 CA TYR A 12 -10.008 0.230 10.623 1.00 0.00 C ATOM 170 C TYR A 12 -8.861 -0.750 10.868 1.00 0.00 C ATOM 171 O TYR A 12 -7.698 -0.441 10.598 1.00 0.00 O ATOM 172 CB TYR A 12 -10.428 0.905 11.935 1.00 0.00 C ATOM 173 CG TYR A 12 -9.474 1.972 12.435 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.280 1.639 13.063 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.786 3.317 12.294 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.425 2.618 13.535 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.936 4.300 12.759 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.757 3.948 13.379 1.00 0.00 C ATOM 179 OH TYR A 12 -6.913 4.931 13.848 1.00 0.00 O ATOM 0 H TYR A 12 -11.992 -0.459 10.622 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.661 0.994 9.928 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.412 1.353 11.798 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.530 0.140 12.704 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.016 0.599 13.184 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.710 3.599 11.812 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.502 2.343 14.023 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.194 5.342 12.637 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.297 5.812 13.655 1.00 0.00 H new ATOM 189 N GLU A 13 -9.207 -1.945 11.346 1.00 0.00 N ATOM 190 CA GLU A 13 -8.213 -2.980 11.639 1.00 0.00 C ATOM 191 C GLU A 13 -7.484 -3.357 10.349 1.00 0.00 C ATOM 192 O GLU A 13 -6.265 -3.524 10.326 1.00 0.00 O ATOM 193 CB GLU A 13 -8.902 -4.220 12.236 1.00 0.00 C ATOM 194 CG GLU A 13 -8.073 -4.984 13.272 1.00 0.00 C ATOM 195 CD GLU A 13 -6.727 -5.459 12.761 1.00 0.00 C ATOM 196 OE1 GLU A 13 -6.673 -6.523 12.111 1.00 0.00 O ATOM 197 OE2 GLU A 13 -5.714 -4.784 13.036 1.00 0.00 O ATOM 0 H GLU A 13 -10.170 -2.222 11.539 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.495 -2.598 12.364 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.838 -3.909 12.699 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.159 -4.901 11.424 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.914 -4.343 14.139 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.645 -5.847 13.614 1.00 0.00 H new ATOM 204 N GLU A 14 -8.247 -3.434 9.266 1.00 0.00 N ATOM 205 CA GLU A 14 -7.715 -3.855 7.975 1.00 0.00 C ATOM 206 C GLU A 14 -6.843 -2.768 7.357 1.00 0.00 C ATOM 207 O GLU A 14 -5.765 -3.057 6.843 1.00 0.00 O ATOM 208 CB GLU A 14 -8.857 -4.218 7.022 1.00 0.00 C ATOM 209 CG GLU A 14 -9.630 -5.464 7.429 1.00 0.00 C ATOM 210 CD GLU A 14 -10.905 -5.644 6.631 1.00 0.00 C ATOM 211 OE1 GLU A 14 -11.942 -5.059 7.016 1.00 0.00 O ATOM 212 OE2 GLU A 14 -10.884 -6.375 5.621 1.00 0.00 O ATOM 0 H GLU A 14 -9.242 -3.209 9.256 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.094 -4.736 8.139 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.548 -3.377 6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.449 -4.366 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.996 -6.340 7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.875 -5.405 8.490 1.00 0.00 H new ATOM 219 N LYS A 15 -7.312 -1.525 7.404 1.00 0.00 N ATOM 220 CA LYS A 15 -6.537 -0.392 6.914 1.00 0.00 C ATOM 221 C LYS A 15 -5.213 -0.278 7.665 1.00 0.00 C ATOM 222 O LYS A 15 -4.158 -0.055 7.068 1.00 0.00 O ATOM 223 CB LYS A 15 -7.337 0.903 7.065 1.00 0.00 C ATOM 224 CG LYS A 15 -8.478 1.039 6.074 1.00 0.00 C ATOM 225 CD LYS A 15 -9.411 2.178 6.452 1.00 0.00 C ATOM 226 CE LYS A 15 -9.892 2.922 5.222 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.815 4.030 5.570 1.00 0.00 N ATOM 0 H LYS A 15 -8.228 -1.277 7.778 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.324 -0.556 5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.739 0.954 8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.663 1.751 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.076 1.213 5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.039 0.106 6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.267 1.784 7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.895 2.868 7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.034 3.321 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.397 2.226 4.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.632 4.843 4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.798 3.714 5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.662 4.311 6.560 1.00 0.00 H new ATOM 241 N ARG A 16 -5.281 -0.441 8.979 1.00 0.00 N ATOM 242 CA ARG A 16 -4.094 -0.405 9.823 1.00 0.00 C ATOM 243 C ARG A 16 -3.144 -1.547 9.462 1.00 0.00 C ATOM 244 O ARG A 16 -1.939 -1.335 9.309 1.00 0.00 O ATOM 245 CB ARG A 16 -4.488 -0.496 11.299 1.00 0.00 C ATOM 246 CG ARG A 16 -3.314 -0.356 12.254 1.00 0.00 C ATOM 247 CD ARG A 16 -3.627 -0.973 13.608 1.00 0.00 C ATOM 248 NE ARG A 16 -3.814 -2.423 13.521 1.00 0.00 N ATOM 249 CZ ARG A 16 -2.951 -3.320 13.998 1.00 0.00 C ATOM 250 NH1 ARG A 16 -1.816 -2.931 14.571 1.00 0.00 N ATOM 251 NH2 ARG A 16 -3.226 -4.612 13.896 1.00 0.00 N ATOM 0 H ARG A 16 -6.151 -0.600 9.486 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.581 0.541 9.653 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.219 0.282 11.519 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.978 -1.453 11.477 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.435 -0.839 11.826 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.069 0.699 12.380 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.816 -0.753 14.303 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.528 -0.515 14.015 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.659 -2.769 13.066 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.598 -1.938 14.649 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.163 -3.626 14.933 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.094 -4.915 13.454 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.570 -5.303 14.259 1.00 0.00 H new ATOM 265 N GLN A 17 -3.689 -2.753 9.315 1.00 0.00 N ATOM 266 CA GLN A 17 -2.886 -3.913 8.965 1.00 0.00 C ATOM 267 C GLN A 17 -2.295 -3.763 7.572 1.00 0.00 C ATOM 268 O GLN A 17 -1.180 -4.196 7.317 1.00 0.00 O ATOM 269 CB GLN A 17 -3.715 -5.195 9.041 1.00 0.00 C ATOM 270 CG GLN A 17 -2.889 -6.439 8.775 1.00 0.00 C ATOM 271 CD GLN A 17 -1.830 -6.668 9.834 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.032 -6.372 11.013 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.675 -7.154 9.418 1.00 0.00 N ATOM 0 H GLN A 17 -4.683 -2.948 9.434 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.072 -3.980 9.686 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.171 -5.270 10.028 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.528 -5.141 8.317 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.548 -7.306 8.731 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.410 -6.352 7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.545 -7.388 8.434 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.087 -7.296 10.081 1.00 0.00 H new ATOM 282 N LEU A 18 -3.046 -3.140 6.685 1.00 0.00 N ATOM 283 CA LEU A 18 -2.591 -2.895 5.321 1.00 0.00 C ATOM 284 C LEU A 18 -1.315 -2.058 5.354 1.00 0.00 C ATOM 285 O LEU A 18 -0.349 -2.337 4.642 1.00 0.00 O ATOM 286 CB LEU A 18 -3.688 -2.177 4.530 1.00 0.00 C ATOM 287 CG LEU A 18 -3.813 -2.566 3.054 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.084 -1.989 2.463 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.614 -2.099 2.251 1.00 0.00 C ATOM 0 H LEU A 18 -3.983 -2.790 6.883 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.376 -3.844 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.644 -2.367 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.508 -1.104 4.589 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.852 -3.654 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.159 -2.274 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.946 -2.375 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.062 -0.902 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.738 -2.393 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.533 -1.014 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.708 -2.554 2.651 1.00 0.00 H new ATOM 301 N SER A 19 -1.321 -1.044 6.210 1.00 0.00 N ATOM 302 CA SER A 19 -0.152 -0.205 6.429 1.00 0.00 C ATOM 303 C SER A 19 1.017 -1.044 6.946 1.00 0.00 C ATOM 304 O SER A 19 2.164 -0.863 6.531 1.00 0.00 O ATOM 305 CB SER A 19 -0.501 0.907 7.430 1.00 0.00 C ATOM 306 OG SER A 19 0.618 1.729 7.718 1.00 0.00 O ATOM 0 H SER A 19 -2.133 -0.782 6.769 1.00 0.00 H new ATOM 0 HA SER A 19 0.147 0.247 5.484 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.307 1.519 7.026 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.871 0.461 8.353 1.00 0.00 H new ATOM 0 HG SER A 19 0.357 2.425 8.357 1.00 0.00 H new ATOM 312 N LEU A 20 0.709 -1.968 7.840 1.00 0.00 N ATOM 313 CA LEU A 20 1.708 -2.847 8.427 1.00 0.00 C ATOM 314 C LEU A 20 2.220 -3.865 7.413 1.00 0.00 C ATOM 315 O LEU A 20 3.382 -4.268 7.449 1.00 0.00 O ATOM 316 CB LEU A 20 1.104 -3.569 9.627 1.00 0.00 C ATOM 317 CG LEU A 20 0.813 -2.693 10.837 1.00 0.00 C ATOM 318 CD1 LEU A 20 0.058 -3.503 11.865 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.107 -2.159 11.430 1.00 0.00 C ATOM 0 H LEU A 20 -0.239 -2.131 8.180 1.00 0.00 H new ATOM 0 HA LEU A 20 2.555 -2.239 8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.175 -4.046 9.313 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.784 -4.365 9.931 1.00 0.00 H new ATOM 0 HG LEU A 20 0.206 -1.842 10.529 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.154 -2.881 12.735 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.879 -3.855 11.434 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.661 -4.358 12.169 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.881 -1.535 12.294 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.737 -2.993 11.740 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.633 -1.566 10.682 1.00 0.00 H new ATOM 331 N ASP A 21 1.346 -4.268 6.505 1.00 0.00 N ATOM 332 CA ASP A 21 1.671 -5.295 5.531 1.00 0.00 C ATOM 333 C ASP A 21 2.569 -4.760 4.421 1.00 0.00 C ATOM 334 O ASP A 21 3.486 -5.448 3.965 1.00 0.00 O ATOM 335 CB ASP A 21 0.404 -5.921 4.973 1.00 0.00 C ATOM 336 CG ASP A 21 -0.232 -6.919 5.930 1.00 0.00 C ATOM 337 OD1 ASP A 21 0.432 -7.328 6.910 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.390 -7.328 5.692 1.00 0.00 O ATOM 0 H ASP A 21 0.400 -3.896 6.423 1.00 0.00 H new ATOM 0 HA ASP A 21 2.236 -6.074 6.043 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.315 -5.134 4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.635 -6.423 4.033 1.00 0.00 H new ATOM 343 N ILE A 22 2.331 -3.523 4.005 1.00 0.00 N ATOM 344 CA ILE A 22 3.198 -2.877 3.021 1.00 0.00 C ATOM 345 C ILE A 22 4.581 -2.644 3.613 1.00 0.00 C ATOM 346 O ILE A 22 5.596 -2.743 2.924 1.00 0.00 O ATOM 347 CB ILE A 22 2.602 -1.540 2.537 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.308 -1.794 1.769 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.583 -0.782 1.657 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.440 -0.576 1.652 1.00 0.00 C ATOM 0 H ILE A 22 1.553 -2.949 4.329 1.00 0.00 H new ATOM 0 HA ILE A 22 3.280 -3.542 2.161 1.00 0.00 H new ATOM 0 HB ILE A 22 2.392 -0.929 3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.551 -2.156 0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.747 -2.585 2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.132 0.156 1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.491 -0.571 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.831 -1.386 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.463 -0.825 1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.168 -0.226 2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.984 0.210 1.128 1.00 0.00 H new ATOM 362 N ASN A 23 4.600 -2.364 4.905 1.00 0.00 N ATOM 363 CA ASN A 23 5.836 -2.162 5.646 1.00 0.00 C ATOM 364 C ASN A 23 6.721 -3.417 5.598 1.00 0.00 C ATOM 365 O ASN A 23 7.946 -3.329 5.685 1.00 0.00 O ATOM 366 CB ASN A 23 5.497 -1.785 7.095 1.00 0.00 C ATOM 367 CG ASN A 23 6.680 -1.886 8.040 1.00 0.00 C ATOM 368 OD1 ASN A 23 6.925 -2.934 8.638 1.00 0.00 O ATOM 369 ND2 ASN A 23 7.408 -0.793 8.197 1.00 0.00 N ATOM 0 H ASN A 23 3.757 -2.270 5.472 1.00 0.00 H new ATOM 0 HA ASN A 23 6.400 -1.351 5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.111 -0.766 7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.699 -2.435 7.454 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.206 -0.799 8.832 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.172 0.055 7.683 1.00 0.00 H new ATOM 376 N LYS A 24 6.091 -4.579 5.437 1.00 0.00 N ATOM 377 CA LYS A 24 6.815 -5.854 5.369 1.00 0.00 C ATOM 378 C LYS A 24 7.561 -6.013 4.047 1.00 0.00 C ATOM 379 O LYS A 24 8.625 -6.633 3.995 1.00 0.00 O ATOM 380 CB LYS A 24 5.853 -7.025 5.525 1.00 0.00 C ATOM 381 CG LYS A 24 5.430 -7.296 6.960 1.00 0.00 C ATOM 382 CD LYS A 24 3.988 -7.827 7.017 1.00 0.00 C ATOM 383 CE LYS A 24 3.595 -8.443 8.367 1.00 0.00 C ATOM 384 NZ LYS A 24 2.136 -8.724 8.419 1.00 0.00 N ATOM 0 H LYS A 24 5.079 -4.667 5.351 1.00 0.00 H new ATOM 0 HA LYS A 24 7.538 -5.849 6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.963 -6.832 4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.321 -7.922 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.107 -8.021 7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.508 -6.380 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.303 -7.010 6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.858 -8.577 6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.153 -9.366 8.526 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.867 -7.763 9.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.782 -8.546 9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.639 -8.105 7.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.965 -9.718 8.166 1.00 0.00 H new ATOM 398 N LEU A 25 6.986 -5.470 2.982 1.00 0.00 N ATOM 399 CA LEU A 25 7.528 -5.638 1.632 1.00 0.00 C ATOM 400 C LEU A 25 8.956 -5.113 1.511 1.00 0.00 C ATOM 401 O LEU A 25 9.256 -4.005 1.959 1.00 0.00 O ATOM 402 CB LEU A 25 6.654 -4.900 0.626 1.00 0.00 C ATOM 403 CG LEU A 25 5.199 -5.336 0.557 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.558 -4.754 -0.679 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.089 -6.844 0.559 1.00 0.00 C ATOM 0 H LEU A 25 6.138 -4.905 3.024 1.00 0.00 H new ATOM 0 HA LEU A 25 7.537 -6.708 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.683 -3.836 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.095 -5.019 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 25 4.675 -4.965 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.515 -5.066 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.610 -3.666 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.086 -5.109 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.039 -7.132 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.618 -7.249 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.531 -7.240 1.473 1.00 0.00 H new ATOM 417 N PRO A 26 9.863 -5.912 0.915 1.00 0.00 N ATOM 418 CA PRO A 26 11.206 -5.444 0.557 1.00 0.00 C ATOM 419 C PRO A 26 11.138 -4.276 -0.423 1.00 0.00 C ATOM 420 O PRO A 26 10.198 -4.201 -1.213 1.00 0.00 O ATOM 421 CB PRO A 26 11.856 -6.668 -0.103 1.00 0.00 C ATOM 422 CG PRO A 26 11.078 -7.833 0.406 1.00 0.00 C ATOM 423 CD PRO A 26 9.671 -7.339 0.579 1.00 0.00 C ATOM 0 HA PRO A 26 11.765 -5.079 1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.807 -6.604 -1.190 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.910 -6.749 0.164 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.117 -8.666 -0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.485 -8.193 1.351 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.084 -7.465 -0.331 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.149 -7.874 1.372 1.00 0.00 H new ATOM 431 N GLY A 27 12.130 -3.385 -0.370 1.00 0.00 N ATOM 432 CA GLY A 27 12.107 -2.145 -1.148 1.00 0.00 C ATOM 433 C GLY A 27 11.644 -2.315 -2.590 1.00 0.00 C ATOM 434 O GLY A 27 10.852 -1.512 -3.087 1.00 0.00 O ATOM 0 H GLY A 27 12.963 -3.500 0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.451 -1.430 -0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.107 -1.712 -1.149 1.00 0.00 H new ATOM 438 N GLU A 28 12.135 -3.357 -3.248 1.00 0.00 N ATOM 439 CA GLU A 28 11.770 -3.651 -4.632 1.00 0.00 C ATOM 440 C GLU A 28 10.258 -3.838 -4.774 1.00 0.00 C ATOM 441 O GLU A 28 9.610 -3.170 -5.578 1.00 0.00 O ATOM 442 CB GLU A 28 12.519 -4.917 -5.087 1.00 0.00 C ATOM 443 CG GLU A 28 12.101 -5.488 -6.429 1.00 0.00 C ATOM 444 CD GLU A 28 12.604 -6.903 -6.614 1.00 0.00 C ATOM 445 OE1 GLU A 28 13.837 -7.100 -6.623 1.00 0.00 O ATOM 446 OE2 GLU A 28 11.773 -7.826 -6.756 1.00 0.00 O ATOM 0 H GLU A 28 12.795 -4.021 -2.842 1.00 0.00 H new ATOM 0 HA GLU A 28 12.055 -2.810 -5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.585 -4.691 -5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.384 -5.688 -4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.014 -5.475 -6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.487 -4.857 -7.230 1.00 0.00 H new ATOM 453 N LYS A 29 9.707 -4.742 -3.977 1.00 0.00 N ATOM 454 CA LYS A 29 8.274 -5.008 -3.967 1.00 0.00 C ATOM 455 C LYS A 29 7.496 -3.793 -3.472 1.00 0.00 C ATOM 456 O LYS A 29 6.397 -3.500 -3.943 1.00 0.00 O ATOM 457 CB LYS A 29 7.990 -6.204 -3.059 1.00 0.00 C ATOM 458 CG LYS A 29 8.356 -7.552 -3.662 1.00 0.00 C ATOM 459 CD LYS A 29 7.478 -7.875 -4.863 1.00 0.00 C ATOM 460 CE LYS A 29 7.549 -9.345 -5.248 1.00 0.00 C ATOM 461 NZ LYS A 29 6.940 -10.228 -4.218 1.00 0.00 N ATOM 0 H LYS A 29 10.239 -5.312 -3.319 1.00 0.00 H new ATOM 0 HA LYS A 29 7.953 -5.227 -4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.540 -6.075 -2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.930 -6.209 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.403 -7.545 -3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.247 -8.332 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.445 -7.610 -4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.786 -7.264 -5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.038 -9.494 -6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.591 -9.629 -5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.579 -11.025 -4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.784 -9.686 -3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.030 -10.592 -4.566 1.00 0.00 H new ATOM 475 N LEU A 30 8.086 -3.109 -2.514 1.00 0.00 N ATOM 476 CA LEU A 30 7.497 -1.926 -1.897 1.00 0.00 C ATOM 477 C LEU A 30 7.269 -0.811 -2.914 1.00 0.00 C ATOM 478 O LEU A 30 6.219 -0.170 -2.890 1.00 0.00 O ATOM 479 CB LEU A 30 8.421 -1.463 -0.767 1.00 0.00 C ATOM 480 CG LEU A 30 7.996 -0.201 -0.030 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.501 -0.202 0.245 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.784 -0.096 1.265 1.00 0.00 C ATOM 0 H LEU A 30 8.999 -3.357 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 30 6.516 -2.180 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.507 -2.272 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.416 -1.300 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 30 8.208 0.666 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.227 0.712 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.958 -0.253 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.244 -1.066 0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.486 0.806 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.583 -0.969 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.849 -0.049 1.040 1.00 0.00 H new ATOM 494 N GLY A 31 8.230 -0.603 -3.813 1.00 0.00 N ATOM 495 CA GLY A 31 8.125 0.470 -4.800 1.00 0.00 C ATOM 496 C GLY A 31 6.829 0.423 -5.593 1.00 0.00 C ATOM 497 O GLY A 31 6.302 1.461 -5.996 1.00 0.00 O ATOM 0 H GLY A 31 9.083 -1.158 -3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.199 1.432 -4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.968 0.407 -5.488 1.00 0.00 H new ATOM 501 N ARG A 32 6.308 -0.781 -5.798 1.00 0.00 N ATOM 502 CA ARG A 32 5.046 -0.965 -6.501 1.00 0.00 C ATOM 503 C ARG A 32 3.909 -0.260 -5.772 1.00 0.00 C ATOM 504 O ARG A 32 3.151 0.489 -6.375 1.00 0.00 O ATOM 505 CB ARG A 32 4.718 -2.452 -6.619 1.00 0.00 C ATOM 506 CG ARG A 32 3.399 -2.742 -7.330 1.00 0.00 C ATOM 507 CD ARG A 32 3.470 -2.374 -8.804 1.00 0.00 C ATOM 508 NE ARG A 32 4.485 -3.150 -9.511 1.00 0.00 N ATOM 509 CZ ARG A 32 4.745 -3.026 -10.809 1.00 0.00 C ATOM 510 NH1 ARG A 32 4.075 -2.145 -11.544 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.681 -3.781 -11.371 1.00 0.00 N ATOM 0 H ARG A 32 6.744 -1.648 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 32 5.152 -0.532 -7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.525 -2.950 -7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.684 -2.886 -5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.154 -3.799 -7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.595 -2.182 -6.852 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.498 -2.541 -9.267 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.692 -1.311 -8.903 1.00 0.00 H new ATOM 0 HE ARG A 32 5.028 -3.828 -8.977 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.358 -1.561 -11.113 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.277 -2.053 -12.539 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.199 -4.455 -10.807 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.882 -3.687 -12.367 1.00 0.00 H new ATOM 525 N VAL A 33 3.814 -0.493 -4.468 1.00 0.00 N ATOM 526 CA VAL A 33 2.699 0.016 -3.672 1.00 0.00 C ATOM 527 C VAL A 33 2.733 1.526 -3.599 1.00 0.00 C ATOM 528 O VAL A 33 1.724 2.176 -3.852 1.00 0.00 O ATOM 529 CB VAL A 33 2.684 -0.560 -2.243 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.257 -0.778 -1.792 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.469 -1.858 -2.157 1.00 0.00 C ATOM 0 H VAL A 33 4.497 -1.033 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 33 1.789 -0.308 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 33 3.165 0.161 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.253 -1.185 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.723 0.172 -1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.765 -1.478 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.437 -2.236 -1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.029 -2.594 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.505 -1.677 -2.444 1.00 0.00 H new ATOM 541 N VAL A 34 3.898 2.080 -3.274 1.00 0.00 N ATOM 542 CA VAL A 34 4.073 3.535 -3.254 1.00 0.00 C ATOM 543 C VAL A 34 3.577 4.128 -4.573 1.00 0.00 C ATOM 544 O VAL A 34 2.933 5.176 -4.597 1.00 0.00 O ATOM 545 CB VAL A 34 5.558 3.941 -2.994 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.446 2.726 -2.993 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.078 4.952 -4.011 1.00 0.00 C ATOM 0 H VAL A 34 4.732 1.550 -3.022 1.00 0.00 H new ATOM 0 HA VAL A 34 3.484 3.936 -2.429 1.00 0.00 H new ATOM 0 HB VAL A 34 5.582 4.417 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.477 3.029 -2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.125 2.041 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.381 2.227 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.115 5.198 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.019 4.524 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.472 5.857 -3.967 1.00 0.00 H new ATOM 557 N HIS A 35 3.860 3.415 -5.656 1.00 0.00 N ATOM 558 CA HIS A 35 3.389 3.801 -6.983 1.00 0.00 C ATOM 559 C HIS A 35 1.868 3.648 -7.098 1.00 0.00 C ATOM 560 O HIS A 35 1.196 4.522 -7.644 1.00 0.00 O ATOM 561 CB HIS A 35 4.089 2.964 -8.059 1.00 0.00 C ATOM 562 CG HIS A 35 3.677 3.301 -9.464 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.130 4.415 -10.135 1.00 0.00 N ATOM 564 CD2 HIS A 35 2.846 2.664 -10.323 1.00 0.00 C ATOM 565 CE1 HIS A 35 3.598 4.448 -11.343 1.00 0.00 C ATOM 566 NE2 HIS A 35 2.813 3.398 -11.483 1.00 0.00 N ATOM 0 H HIS A 35 4.417 2.561 -5.642 1.00 0.00 H new ATOM 0 HA HIS A 35 3.635 4.852 -7.135 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.166 3.100 -7.966 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.883 1.910 -7.875 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.308 1.747 -10.131 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.776 5.207 -12.090 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.271 3.169 -12.316 1.00 0.00 H new ATOM 575 N ILE A 36 1.337 2.535 -6.590 1.00 0.00 N ATOM 576 CA ILE A 36 -0.099 2.266 -6.663 1.00 0.00 C ATOM 577 C ILE A 36 -0.903 3.379 -5.996 1.00 0.00 C ATOM 578 O ILE A 36 -1.812 3.936 -6.612 1.00 0.00 O ATOM 579 CB ILE A 36 -0.498 0.907 -6.030 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.283 -0.249 -6.666 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.998 0.676 -6.201 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.164 -1.624 -6.208 1.00 0.00 C ATOM 0 H ILE A 36 1.879 1.807 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.334 2.222 -7.726 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.253 0.940 -4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.183 -0.188 -7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.342 -0.128 -6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.272 -0.280 -5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.548 1.478 -5.708 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.246 0.665 -7.262 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.437 -2.386 -6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.037 -1.707 -5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.214 -1.769 -6.462 1.00 0.00 H new ATOM 594 N ILE A 37 -0.564 3.720 -4.751 1.00 0.00 N ATOM 595 CA ILE A 37 -1.304 4.759 -4.039 1.00 0.00 C ATOM 596 C ILE A 37 -1.216 6.089 -4.784 1.00 0.00 C ATOM 597 O ILE A 37 -2.230 6.722 -5.061 1.00 0.00 O ATOM 598 CB ILE A 37 -0.823 4.986 -2.589 1.00 0.00 C ATOM 599 CG1 ILE A 37 -0.902 3.708 -1.759 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.677 6.059 -1.941 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.441 3.096 -1.457 1.00 0.00 C ATOM 0 H ILE A 37 0.203 3.301 -4.225 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.332 4.399 -3.996 1.00 0.00 H new ATOM 0 HB ILE A 37 0.221 5.298 -2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.411 3.926 -0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.513 2.978 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.341 6.222 -0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.586 6.987 -2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.719 5.740 -1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.304 2.192 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.945 2.845 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.048 3.808 -0.898 1.00 0.00 H new ATOM 613 N GLN A 38 0.008 6.491 -5.108 1.00 0.00 N ATOM 614 CA GLN A 38 0.260 7.751 -5.811 1.00 0.00 C ATOM 615 C GLN A 38 -0.491 7.835 -7.140 1.00 0.00 C ATOM 616 O GLN A 38 -0.893 8.920 -7.565 1.00 0.00 O ATOM 617 CB GLN A 38 1.759 7.936 -6.062 1.00 0.00 C ATOM 618 CG GLN A 38 2.561 8.285 -4.811 1.00 0.00 C ATOM 619 CD GLN A 38 3.686 9.261 -5.105 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.614 10.045 -6.052 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.714 9.250 -4.275 1.00 0.00 N ATOM 0 H GLN A 38 0.851 5.959 -4.894 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.108 8.549 -5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.160 7.019 -6.494 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.898 8.724 -6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.895 8.715 -4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.976 7.373 -4.382 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.738 8.585 -3.502 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.484 9.906 -4.408 1.00 0.00 H new ATOM 630 N SER A 39 -0.657 6.702 -7.805 1.00 0.00 N ATOM 631 CA SER A 39 -1.362 6.669 -9.077 1.00 0.00 C ATOM 632 C SER A 39 -2.871 6.770 -8.868 1.00 0.00 C ATOM 633 O SER A 39 -3.551 7.539 -9.552 1.00 0.00 O ATOM 634 CB SER A 39 -1.014 5.388 -9.846 1.00 0.00 C ATOM 635 OG SER A 39 -1.625 5.367 -11.128 1.00 0.00 O ATOM 0 H SER A 39 -0.314 5.796 -7.486 1.00 0.00 H new ATOM 0 HA SER A 39 -1.043 7.529 -9.665 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.068 5.311 -9.956 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.338 4.519 -9.273 1.00 0.00 H new ATOM 0 HG SER A 39 -1.382 4.539 -11.593 1.00 0.00 H new ATOM 641 N ARG A 40 -3.389 6.007 -7.912 1.00 0.00 N ATOM 642 CA ARG A 40 -4.827 5.945 -7.681 1.00 0.00 C ATOM 643 C ARG A 40 -5.325 7.188 -6.958 1.00 0.00 C ATOM 644 O ARG A 40 -6.427 7.672 -7.220 1.00 0.00 O ATOM 645 CB ARG A 40 -5.188 4.703 -6.871 1.00 0.00 C ATOM 646 CG ARG A 40 -4.693 3.405 -7.485 1.00 0.00 C ATOM 647 CD ARG A 40 -5.471 2.226 -6.953 1.00 0.00 C ATOM 648 NE ARG A 40 -6.918 2.409 -7.081 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.580 2.371 -8.237 1.00 0.00 C ATOM 650 NH1 ARG A 40 -6.930 2.169 -9.378 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.893 2.534 -8.250 1.00 0.00 N ATOM 0 H ARG A 40 -2.835 5.423 -7.285 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.313 5.893 -8.655 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.772 4.801 -5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.272 4.653 -6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.791 3.451 -8.570 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.633 3.275 -7.266 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.173 1.325 -7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.218 2.071 -5.904 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.454 2.577 -6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.918 2.042 -9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.443 2.141 -10.259 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.396 2.688 -7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.402 2.505 -9.134 1.00 0.00 H new ATOM 665 N GLU A 41 -4.513 7.692 -6.038 1.00 0.00 N ATOM 666 CA GLU A 41 -4.847 8.891 -5.286 1.00 0.00 C ATOM 667 C GLU A 41 -3.931 10.042 -5.707 1.00 0.00 C ATOM 668 O GLU A 41 -2.927 10.317 -5.047 1.00 0.00 O ATOM 669 CB GLU A 41 -4.698 8.641 -3.783 1.00 0.00 C ATOM 670 CG GLU A 41 -5.380 7.378 -3.279 1.00 0.00 C ATOM 671 CD GLU A 41 -6.834 7.272 -3.689 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.657 8.084 -3.219 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.166 6.359 -4.466 1.00 0.00 O ATOM 0 H GLU A 41 -3.611 7.283 -5.794 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.883 9.155 -5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.637 8.586 -3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.104 9.497 -3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.840 6.509 -3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.314 7.348 -2.191 1.00 0.00 H new ATOM 680 N PRO A 42 -4.267 10.739 -6.808 1.00 0.00 N ATOM 681 CA PRO A 42 -3.419 11.799 -7.373 1.00 0.00 C ATOM 682 C PRO A 42 -3.234 12.991 -6.435 1.00 0.00 C ATOM 683 O PRO A 42 -2.396 13.858 -6.679 1.00 0.00 O ATOM 684 CB PRO A 42 -4.171 12.238 -8.637 1.00 0.00 C ATOM 685 CG PRO A 42 -5.112 11.122 -8.935 1.00 0.00 C ATOM 686 CD PRO A 42 -5.490 10.548 -7.603 1.00 0.00 C ATOM 0 HA PRO A 42 -2.410 11.431 -7.559 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.707 13.173 -8.472 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.484 12.407 -9.466 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.991 11.482 -9.470 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.640 10.369 -9.567 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.342 11.068 -7.166 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.763 9.496 -7.679 1.00 0.00 H new ATOM 694 N SER A 43 -4.013 13.033 -5.365 1.00 0.00 N ATOM 695 CA SER A 43 -3.925 14.115 -4.399 1.00 0.00 C ATOM 696 C SER A 43 -2.617 14.050 -3.614 1.00 0.00 C ATOM 697 O SER A 43 -2.114 15.068 -3.145 1.00 0.00 O ATOM 698 CB SER A 43 -5.116 14.057 -3.446 1.00 0.00 C ATOM 699 OG SER A 43 -6.337 14.061 -4.166 1.00 0.00 O ATOM 0 H SER A 43 -4.715 12.327 -5.144 1.00 0.00 H new ATOM 0 HA SER A 43 -3.943 15.060 -4.942 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.053 13.158 -2.833 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.086 14.909 -2.767 1.00 0.00 H new ATOM 0 HG SER A 43 -7.088 14.022 -3.537 1.00 0.00 H new ATOM 705 N LEU A 44 -2.057 12.853 -3.487 1.00 0.00 N ATOM 706 CA LEU A 44 -0.834 12.669 -2.717 1.00 0.00 C ATOM 707 C LEU A 44 0.350 12.372 -3.625 1.00 0.00 C ATOM 708 O LEU A 44 1.419 11.978 -3.161 1.00 0.00 O ATOM 709 CB LEU A 44 -1.013 11.561 -1.669 1.00 0.00 C ATOM 710 CG LEU A 44 -1.497 10.207 -2.190 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.321 9.332 -2.588 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.352 9.517 -1.140 1.00 0.00 C ATOM 0 H LEU A 44 -2.428 12.000 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.624 13.602 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.059 11.412 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.721 11.912 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.106 10.374 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.688 8.374 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.251 9.827 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.319 9.167 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.691 8.554 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.763 9.362 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.216 10.140 -0.908 1.00 0.00 H new ATOM 724 N LYS A 45 0.175 12.588 -4.922 1.00 0.00 N ATOM 725 CA LYS A 45 1.257 12.337 -5.870 1.00 0.00 C ATOM 726 C LYS A 45 2.278 13.467 -5.819 1.00 0.00 C ATOM 727 O LYS A 45 3.309 13.429 -6.491 1.00 0.00 O ATOM 728 CB LYS A 45 0.721 12.145 -7.296 1.00 0.00 C ATOM 729 CG LYS A 45 0.365 13.422 -8.026 1.00 0.00 C ATOM 730 CD LYS A 45 -0.213 13.106 -9.391 1.00 0.00 C ATOM 731 CE LYS A 45 -0.092 14.284 -10.332 1.00 0.00 C ATOM 732 NZ LYS A 45 -0.554 13.948 -11.705 1.00 0.00 N ATOM 0 H LYS A 45 -0.690 12.931 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 45 1.751 11.410 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.469 11.608 -7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.165 11.511 -7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.356 13.993 -7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.252 14.046 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.304 12.246 -9.816 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.262 12.828 -9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.678 15.118 -9.946 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.946 14.614 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.455 14.782 -12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.021 13.169 -12.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.552 13.658 -11.674 1.00 0.00 H new ATOM 746 N ASN A 46 1.990 14.465 -4.995 1.00 0.00 N ATOM 747 CA ASN A 46 2.898 15.583 -4.798 1.00 0.00 C ATOM 748 C ASN A 46 3.921 15.247 -3.719 1.00 0.00 C ATOM 749 O ASN A 46 4.804 16.047 -3.412 1.00 0.00 O ATOM 750 CB ASN A 46 2.122 16.845 -4.415 1.00 0.00 C ATOM 751 CG ASN A 46 1.228 17.341 -5.535 1.00 0.00 C ATOM 752 OD1 ASN A 46 1.541 17.181 -6.715 1.00 0.00 O ATOM 753 ND2 ASN A 46 0.103 17.940 -5.175 1.00 0.00 N ATOM 0 H ASN A 46 1.130 14.522 -4.450 1.00 0.00 H new ATOM 0 HA ASN A 46 3.423 15.771 -5.735 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.514 16.640 -3.534 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.826 17.631 -4.141 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.540 18.288 -5.886 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.121 18.053 -4.186 1.00 0.00 H new ATOM 760 N SER A 47 3.797 14.054 -3.151 1.00 0.00 N ATOM 761 CA SER A 47 4.734 13.585 -2.146 1.00 0.00 C ATOM 762 C SER A 47 5.989 13.036 -2.818 1.00 0.00 C ATOM 763 O SER A 47 5.899 12.357 -3.845 1.00 0.00 O ATOM 764 CB SER A 47 4.083 12.498 -1.285 1.00 0.00 C ATOM 765 OG SER A 47 2.860 12.951 -0.738 1.00 0.00 O ATOM 0 H SER A 47 3.052 13.393 -3.373 1.00 0.00 H new ATOM 0 HA SER A 47 5.012 14.422 -1.506 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.908 11.607 -1.888 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.761 12.211 -0.481 1.00 0.00 H new ATOM 0 HG SER A 47 2.130 12.756 -1.362 1.00 0.00 H new ATOM 771 N ASN A 48 7.155 13.340 -2.246 1.00 0.00 N ATOM 772 CA ASN A 48 8.420 12.821 -2.763 1.00 0.00 C ATOM 773 C ASN A 48 8.377 11.304 -2.718 1.00 0.00 C ATOM 774 O ASN A 48 8.000 10.725 -1.704 1.00 0.00 O ATOM 775 CB ASN A 48 9.608 13.319 -1.924 1.00 0.00 C ATOM 776 CG ASN A 48 9.674 14.828 -1.809 1.00 0.00 C ATOM 777 OD1 ASN A 48 9.205 15.557 -2.683 1.00 0.00 O ATOM 778 ND2 ASN A 48 10.272 15.303 -0.729 1.00 0.00 N ATOM 0 H ASN A 48 7.249 13.941 -1.427 1.00 0.00 H new ATOM 0 HA ASN A 48 8.553 13.173 -3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.543 12.889 -0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.535 12.955 -2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.359 16.311 -0.595 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.646 14.662 -0.030 1.00 0.00 H new ATOM 785 N PRO A 49 8.743 10.638 -3.827 1.00 0.00 N ATOM 786 CA PRO A 49 8.619 9.183 -3.948 1.00 0.00 C ATOM 787 C PRO A 49 9.364 8.413 -2.864 1.00 0.00 C ATOM 788 O PRO A 49 9.010 7.278 -2.573 1.00 0.00 O ATOM 789 CB PRO A 49 9.188 8.858 -5.332 1.00 0.00 C ATOM 790 CG PRO A 49 9.903 10.088 -5.785 1.00 0.00 C ATOM 791 CD PRO A 49 9.287 11.250 -5.054 1.00 0.00 C ATOM 0 HA PRO A 49 7.579 8.880 -3.827 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.868 8.007 -5.284 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.392 8.591 -6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.969 10.017 -5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.806 10.215 -6.863 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.026 12.018 -4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.505 11.727 -5.645 1.00 0.00 H new ATOM 799 N ASP A 50 10.370 9.025 -2.253 1.00 0.00 N ATOM 800 CA ASP A 50 11.093 8.384 -1.156 1.00 0.00 C ATOM 801 C ASP A 50 10.327 8.531 0.161 1.00 0.00 C ATOM 802 O ASP A 50 10.299 7.613 0.974 1.00 0.00 O ATOM 803 CB ASP A 50 12.515 8.952 -1.036 1.00 0.00 C ATOM 804 CG ASP A 50 13.215 8.558 0.254 1.00 0.00 C ATOM 805 OD1 ASP A 50 13.190 7.367 0.625 1.00 0.00 O ATOM 806 OD2 ASP A 50 13.807 9.453 0.902 1.00 0.00 O ATOM 0 H ASP A 50 10.704 9.958 -2.494 1.00 0.00 H new ATOM 0 HA ASP A 50 11.174 7.320 -1.377 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.109 8.607 -1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.471 10.039 -1.099 1.00 0.00 H new ATOM 811 N GLU A 51 9.649 9.657 0.323 1.00 0.00 N ATOM 812 CA GLU A 51 8.915 9.965 1.550 1.00 0.00 C ATOM 813 C GLU A 51 7.455 10.236 1.218 1.00 0.00 C ATOM 814 O GLU A 51 6.986 11.370 1.328 1.00 0.00 O ATOM 815 CB GLU A 51 9.519 11.197 2.236 1.00 0.00 C ATOM 816 CG GLU A 51 10.539 10.866 3.308 1.00 0.00 C ATOM 817 CD GLU A 51 11.244 12.098 3.828 1.00 0.00 C ATOM 818 OE1 GLU A 51 10.698 12.770 4.725 1.00 0.00 O ATOM 819 OE2 GLU A 51 12.350 12.404 3.332 1.00 0.00 O ATOM 0 H GLU A 51 9.589 10.385 -0.389 1.00 0.00 H new ATOM 0 HA GLU A 51 8.986 9.112 2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.991 11.826 1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.715 11.783 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.042 10.358 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.276 10.172 2.904 1.00 0.00 H new ATOM 826 N ILE A 52 6.737 9.208 0.796 1.00 0.00 N ATOM 827 CA ILE A 52 5.396 9.407 0.285 1.00 0.00 C ATOM 828 C ILE A 52 4.383 9.527 1.418 1.00 0.00 C ATOM 829 O ILE A 52 4.525 8.890 2.462 1.00 0.00 O ATOM 830 CB ILE A 52 4.980 8.286 -0.689 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.490 7.063 0.048 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.147 7.895 -1.571 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.607 6.201 -0.815 1.00 0.00 C ATOM 0 H ILE A 52 7.057 8.240 0.798 1.00 0.00 H new ATOM 0 HA ILE A 52 5.406 10.345 -0.270 1.00 0.00 H new ATOM 0 HB ILE A 52 4.165 8.675 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.345 6.479 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.939 7.372 0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.838 7.103 -2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.475 8.761 -2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.969 7.539 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.277 5.332 -0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.738 6.776 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.166 5.870 -1.690 1.00 0.00 H new ATOM 845 N GLU A 53 3.376 10.356 1.200 1.00 0.00 N ATOM 846 CA GLU A 53 2.368 10.629 2.203 1.00 0.00 C ATOM 847 C GLU A 53 1.084 9.875 1.865 1.00 0.00 C ATOM 848 O GLU A 53 0.382 10.228 0.919 1.00 0.00 O ATOM 849 CB GLU A 53 2.094 12.134 2.237 1.00 0.00 C ATOM 850 CG GLU A 53 1.832 12.702 3.620 1.00 0.00 C ATOM 851 CD GLU A 53 0.902 11.851 4.450 1.00 0.00 C ATOM 852 OE1 GLU A 53 -0.329 11.949 4.259 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.405 11.095 5.307 1.00 0.00 O ATOM 0 H GLU A 53 3.237 10.857 0.322 1.00 0.00 H new ATOM 0 HA GLU A 53 2.723 10.299 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.947 12.654 1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.233 12.347 1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.780 12.810 4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.407 13.701 3.520 1.00 0.00 H new ATOM 860 N ILE A 54 0.783 8.841 2.628 1.00 0.00 N ATOM 861 CA ILE A 54 -0.433 8.065 2.406 1.00 0.00 C ATOM 862 C ILE A 54 -1.475 8.398 3.460 1.00 0.00 C ATOM 863 O ILE A 54 -1.168 8.424 4.650 1.00 0.00 O ATOM 864 CB ILE A 54 -0.165 6.549 2.447 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.813 6.135 1.354 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.465 5.784 2.285 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.235 4.689 1.457 1.00 0.00 C ATOM 0 H ILE A 54 1.358 8.516 3.405 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.798 8.330 1.414 1.00 0.00 H new ATOM 0 HB ILE A 54 0.278 6.312 3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.354 6.305 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.697 6.770 1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.263 4.713 2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.146 6.048 3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.921 6.040 1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.931 4.455 0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.721 4.519 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.358 4.047 1.376 1.00 0.00 H new ATOM 879 N ASP A 55 -2.708 8.632 3.029 1.00 0.00 N ATOM 880 CA ASP A 55 -3.785 8.912 3.966 1.00 0.00 C ATOM 881 C ASP A 55 -4.822 7.810 3.873 1.00 0.00 C ATOM 882 O ASP A 55 -5.737 7.869 3.052 1.00 0.00 O ATOM 883 CB ASP A 55 -4.425 10.274 3.695 1.00 0.00 C ATOM 884 CG ASP A 55 -5.404 10.671 4.783 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.568 10.227 4.729 1.00 0.00 O ATOM 886 OD2 ASP A 55 -5.012 11.429 5.696 1.00 0.00 O ATOM 0 H ASP A 55 -2.984 8.633 2.047 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.371 8.945 4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.645 11.031 3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.941 10.247 2.735 1.00 0.00 H new ATOM 891 N PHE A 56 -4.673 6.803 4.723 1.00 0.00 N ATOM 892 CA PHE A 56 -5.455 5.579 4.621 1.00 0.00 C ATOM 893 C PHE A 56 -6.947 5.803 4.842 1.00 0.00 C ATOM 894 O PHE A 56 -7.749 4.903 4.617 1.00 0.00 O ATOM 895 CB PHE A 56 -4.919 4.535 5.594 1.00 0.00 C ATOM 896 CG PHE A 56 -4.083 3.495 4.916 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.720 3.667 4.744 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.674 2.352 4.427 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.967 2.706 4.092 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.935 1.393 3.780 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.582 1.564 3.609 1.00 0.00 C ATOM 0 H PHE A 56 -4.010 6.811 5.498 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.347 5.216 3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.325 5.030 6.362 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.755 4.052 6.100 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.241 4.558 5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.737 2.207 4.554 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.904 2.847 3.961 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.418 0.503 3.405 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.001 0.810 3.099 1.00 0.00 H new ATOM 911 N GLU A 57 -7.319 7.000 5.257 1.00 0.00 N ATOM 912 CA GLU A 57 -8.714 7.315 5.495 1.00 0.00 C ATOM 913 C GLU A 57 -9.357 7.994 4.291 1.00 0.00 C ATOM 914 O GLU A 57 -10.557 8.281 4.300 1.00 0.00 O ATOM 915 CB GLU A 57 -8.829 8.187 6.736 1.00 0.00 C ATOM 916 CG GLU A 57 -8.522 7.433 8.016 1.00 0.00 C ATOM 917 CD GLU A 57 -9.628 6.469 8.398 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.930 5.543 7.614 1.00 0.00 O ATOM 919 OE2 GLU A 57 -10.212 6.637 9.487 1.00 0.00 O ATOM 0 H GLU A 57 -6.674 7.770 5.436 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.255 6.382 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.146 9.032 6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.837 8.597 6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.589 6.882 7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.369 8.146 8.826 1.00 0.00 H new ATOM 926 N THR A 58 -8.571 8.241 3.253 1.00 0.00 N ATOM 927 CA THR A 58 -9.093 8.878 2.053 1.00 0.00 C ATOM 928 C THR A 58 -8.844 8.039 0.804 1.00 0.00 C ATOM 929 O THR A 58 -9.438 8.296 -0.243 1.00 0.00 O ATOM 930 CB THR A 58 -8.491 10.278 1.857 1.00 0.00 C ATOM 931 OG1 THR A 58 -7.062 10.200 1.851 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.939 11.205 2.969 1.00 0.00 C ATOM 0 H THR A 58 -7.578 8.012 3.217 1.00 0.00 H new ATOM 0 HA THR A 58 -10.170 8.968 2.197 1.00 0.00 H new ATOM 0 HB THR A 58 -8.838 10.672 0.902 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.782 9.311 2.154 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.504 12.193 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.026 11.282 2.963 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.609 10.808 3.929 1.00 0.00 H new ATOM 940 N LEU A 59 -7.963 7.046 0.909 1.00 0.00 N ATOM 941 CA LEU A 59 -7.686 6.161 -0.222 1.00 0.00 C ATOM 942 C LEU A 59 -8.977 5.481 -0.652 1.00 0.00 C ATOM 943 O LEU A 59 -9.766 5.049 0.192 1.00 0.00 O ATOM 944 CB LEU A 59 -6.665 5.072 0.131 1.00 0.00 C ATOM 945 CG LEU A 59 -5.497 5.498 1.019 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.534 4.336 1.211 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.784 6.714 0.442 1.00 0.00 C ATOM 0 H LEU A 59 -7.434 6.835 1.755 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.272 6.774 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.192 4.257 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.259 4.670 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.891 5.784 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.706 4.651 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.057 3.504 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.149 4.019 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.957 6.995 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.398 6.474 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.485 7.545 0.367 1.00 0.00 H new ATOM 959 N LYS A 60 -9.197 5.405 -1.954 1.00 0.00 N ATOM 960 CA LYS A 60 -10.368 4.733 -2.494 1.00 0.00 C ATOM 961 C LYS A 60 -10.394 3.272 -2.050 1.00 0.00 C ATOM 962 O LYS A 60 -9.342 2.657 -1.855 1.00 0.00 O ATOM 963 CB LYS A 60 -10.350 4.823 -4.022 1.00 0.00 C ATOM 964 CG LYS A 60 -10.295 6.249 -4.550 1.00 0.00 C ATOM 965 CD LYS A 60 -10.247 6.285 -6.068 1.00 0.00 C ATOM 966 CE LYS A 60 -10.070 7.706 -6.576 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.818 8.326 -6.067 1.00 0.00 N ATOM 0 H LYS A 60 -8.577 5.802 -2.660 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.266 5.222 -2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.489 4.272 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.240 4.333 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.168 6.800 -4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.417 6.753 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.425 5.663 -6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.166 5.862 -6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.056 7.703 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.924 8.310 -6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.701 9.269 -6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.870 8.415 -5.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.006 7.729 -6.322 1.00 0.00 H new ATOM 981 N PRO A 61 -11.599 2.705 -1.869 1.00 0.00 N ATOM 982 CA PRO A 61 -11.762 1.302 -1.469 1.00 0.00 C ATOM 983 C PRO A 61 -11.009 0.358 -2.398 1.00 0.00 C ATOM 984 O PRO A 61 -10.448 -0.650 -1.964 1.00 0.00 O ATOM 985 CB PRO A 61 -13.271 1.060 -1.586 1.00 0.00 C ATOM 986 CG PRO A 61 -13.910 2.409 -1.525 1.00 0.00 C ATOM 987 CD PRO A 61 -12.893 3.399 -2.031 1.00 0.00 C ATOM 0 HA PRO A 61 -11.367 1.116 -0.470 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.514 0.555 -2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.628 0.422 -0.777 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.813 2.437 -2.136 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.208 2.649 -0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.077 3.661 -3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.922 4.327 -1.459 1.00 0.00 H new ATOM 995 N SER A 62 -10.980 0.710 -3.672 1.00 0.00 N ATOM 996 CA SER A 62 -10.273 -0.080 -4.665 1.00 0.00 C ATOM 997 C SER A 62 -8.769 0.032 -4.465 1.00 0.00 C ATOM 998 O SER A 62 -8.035 -0.932 -4.661 1.00 0.00 O ATOM 999 CB SER A 62 -10.652 0.381 -6.065 1.00 0.00 C ATOM 1000 OG SER A 62 -10.588 1.796 -6.166 1.00 0.00 O ATOM 0 H SER A 62 -11.440 1.541 -4.044 1.00 0.00 H new ATOM 0 HA SER A 62 -10.560 -1.125 -4.546 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.981 -0.071 -6.795 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.659 0.040 -6.304 1.00 0.00 H new ATOM 0 HG SER A 62 -11.431 2.136 -6.533 1.00 0.00 H new ATOM 1006 N THR A 63 -8.321 1.216 -4.061 1.00 0.00 N ATOM 1007 CA THR A 63 -6.917 1.443 -3.779 1.00 0.00 C ATOM 1008 C THR A 63 -6.473 0.525 -2.653 1.00 0.00 C ATOM 1009 O THR A 63 -5.489 -0.193 -2.785 1.00 0.00 O ATOM 1010 CB THR A 63 -6.653 2.923 -3.411 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.382 3.756 -4.325 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.172 3.260 -3.494 1.00 0.00 C ATOM 0 H THR A 63 -8.916 2.033 -3.923 1.00 0.00 H new ATOM 0 HA THR A 63 -6.339 1.220 -4.676 1.00 0.00 H new ATOM 0 HB THR A 63 -6.979 3.094 -2.385 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.281 4.695 -4.063 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.022 4.307 -3.230 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.616 2.627 -2.802 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.816 3.088 -4.510 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.249 0.503 -1.576 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.967 -0.368 -0.439 1.00 0.00 C ATOM 1022 C LEU A 64 -6.924 -1.833 -0.861 1.00 0.00 C ATOM 1023 O LEU A 64 -6.049 -2.585 -0.439 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.022 -0.172 0.654 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.999 1.192 1.342 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.189 1.353 2.276 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.712 1.369 2.118 1.00 0.00 C ATOM 0 H LEU A 64 -8.082 1.081 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.987 -0.097 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.009 -0.324 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.887 -0.945 1.410 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.060 1.958 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.148 2.333 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.114 1.266 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.159 0.576 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.711 2.345 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.633 0.588 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.864 1.301 1.437 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.844 -2.224 -1.725 1.00 0.00 N ATOM 1040 CA ARG A 65 -7.943 -3.616 -2.141 1.00 0.00 C ATOM 1041 C ARG A 65 -6.887 -3.957 -3.184 1.00 0.00 C ATOM 1042 O ARG A 65 -6.651 -5.123 -3.469 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.344 -3.924 -2.672 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.246 -4.672 -1.686 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.639 -5.986 -1.205 1.00 0.00 C ATOM 1046 NE ARG A 65 -10.646 -6.823 -0.551 1.00 0.00 N ATOM 1047 CZ ARG A 65 -10.406 -8.022 -0.023 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -9.172 -8.502 0.031 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -11.403 -8.731 0.490 1.00 0.00 N ATOM 0 H ARG A 65 -8.531 -1.603 -2.152 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.762 -4.239 -1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.828 -2.987 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.252 -4.517 -3.582 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.444 -4.033 -0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.206 -4.874 -2.161 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.209 -6.523 -2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.825 -5.781 -0.510 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.599 -6.463 -0.496 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.394 -7.952 -0.334 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.000 -9.421 0.438 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.352 -8.358 0.480 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.220 -9.649 0.895 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.259 -2.942 -3.759 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.153 -3.159 -4.669 1.00 0.00 C ATOM 1065 C GLU A 66 -3.850 -3.205 -3.880 1.00 0.00 C ATOM 1066 O GLU A 66 -2.967 -4.013 -4.161 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.133 -2.060 -5.733 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.947 -2.122 -6.682 1.00 0.00 C ATOM 1069 CD GLU A 66 -3.963 -3.358 -7.563 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.501 -4.428 -7.115 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.434 -3.265 -8.719 1.00 0.00 O ATOM 0 H GLU A 66 -6.499 -1.962 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.272 -4.113 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.052 -2.120 -6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.134 -1.090 -5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.945 -1.232 -7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.023 -2.106 -6.104 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.765 -2.364 -2.854 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.599 -2.316 -1.996 1.00 0.00 C ATOM 1080 C LEU A 67 -2.501 -3.618 -1.217 1.00 0.00 C ATOM 1081 O LEU A 67 -1.459 -4.272 -1.191 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.718 -1.136 -1.022 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.946 0.231 -1.669 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.012 1.310 -0.605 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.862 0.539 -2.681 1.00 0.00 C ATOM 0 H LEU A 67 -4.500 -1.703 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.703 -2.184 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.541 -1.336 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.808 -1.088 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.899 0.207 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.175 2.278 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.834 1.097 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.075 1.331 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.047 1.516 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.892 0.545 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.866 -0.222 -3.461 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.623 -3.999 -0.614 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.682 -5.190 0.222 1.00 0.00 C ATOM 1099 C GLU A 68 -3.514 -6.457 -0.611 1.00 0.00 C ATOM 1100 O GLU A 68 -2.659 -7.289 -0.310 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.005 -5.259 0.985 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.040 -6.378 2.010 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.418 -6.970 2.172 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.885 -7.646 1.233 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -7.030 -6.784 3.248 1.00 0.00 O ATOM 0 H GLU A 68 -4.507 -3.496 -0.690 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.861 -5.124 0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.178 -4.308 1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.821 -5.398 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.344 -7.162 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.697 -5.996 2.972 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.337 -6.604 -1.655 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.274 -7.784 -2.524 1.00 0.00 C ATOM 1114 C ARG A 69 -2.858 -8.012 -3.045 1.00 0.00 C ATOM 1115 O ARG A 69 -2.415 -9.150 -3.203 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.236 -7.653 -3.704 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.317 -8.909 -4.549 1.00 0.00 C ATOM 1118 CD ARG A 69 -5.903 -8.629 -5.924 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.179 -7.572 -6.636 1.00 0.00 N ATOM 1120 CZ ARG A 69 -5.012 -7.544 -7.958 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -5.479 -8.530 -8.716 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -4.380 -6.526 -8.525 1.00 0.00 N ATOM 0 H ARG A 69 -5.051 -5.925 -1.918 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.570 -8.642 -1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.230 -7.410 -3.329 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.920 -6.820 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.321 -9.338 -4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.929 -9.652 -4.038 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.882 -9.543 -6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.949 -8.341 -5.818 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.779 -6.812 -6.086 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.969 -9.315 -8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.348 -8.502 -9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.021 -5.764 -7.950 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.252 -6.505 -9.537 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.148 -6.929 -3.295 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.797 -7.022 -3.810 1.00 0.00 C ATOM 1138 C TYR A 70 0.187 -7.439 -2.718 1.00 0.00 C ATOM 1139 O TYR A 70 0.993 -8.340 -2.921 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.371 -5.694 -4.434 1.00 0.00 C ATOM 1141 CG TYR A 70 1.102 -5.624 -4.746 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.629 -6.235 -5.876 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.964 -4.950 -3.901 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.980 -6.176 -6.153 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.317 -4.883 -4.169 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.818 -5.499 -5.297 1.00 0.00 C ATOM 1147 OH TYR A 70 5.164 -5.437 -5.569 1.00 0.00 O ATOM 0 H TYR A 70 -2.484 -5.977 -3.150 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.786 -7.792 -4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.937 -5.534 -5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.630 -4.882 -3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.971 -6.765 -6.549 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.573 -4.468 -3.017 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.376 -6.658 -7.035 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.978 -4.352 -3.500 1.00 0.00 H new ATOM 0 HH TYR A 70 5.582 -4.759 -4.998 1.00 0.00 H new ATOM 1157 N VAL A 71 0.127 -6.795 -1.561 1.00 0.00 N ATOM 1158 CA VAL A 71 1.071 -7.105 -0.496 1.00 0.00 C ATOM 1159 C VAL A 71 0.825 -8.491 0.071 1.00 0.00 C ATOM 1160 O VAL A 71 1.768 -9.240 0.300 1.00 0.00 O ATOM 1161 CB VAL A 71 1.051 -6.061 0.638 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.415 -4.698 0.095 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.289 -6.010 1.347 1.00 0.00 C ATOM 0 H VAL A 71 -0.552 -6.067 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 71 2.061 -7.077 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 71 1.792 -6.365 1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.398 -3.968 0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.414 -4.734 -0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.696 -4.408 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.254 -5.260 2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.069 -5.748 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.508 -6.985 1.782 1.00 0.00 H new ATOM 1173 N THR A 72 -0.439 -8.844 0.263 1.00 0.00 N ATOM 1174 CA THR A 72 -0.796 -10.149 0.797 1.00 0.00 C ATOM 1175 C THR A 72 -0.293 -11.264 -0.125 1.00 0.00 C ATOM 1176 O THR A 72 -0.002 -12.368 0.329 1.00 0.00 O ATOM 1177 CB THR A 72 -2.323 -10.269 1.024 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.612 -11.358 1.908 1.00 0.00 O ATOM 1179 CG2 THR A 72 -3.062 -10.473 -0.284 1.00 0.00 C ATOM 0 H THR A 72 -1.236 -8.242 0.056 1.00 0.00 H new ATOM 0 HA THR A 72 -0.310 -10.257 1.767 1.00 0.00 H new ATOM 0 HB THR A 72 -2.662 -9.335 1.472 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.581 -11.421 2.044 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.131 -10.553 -0.089 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.876 -9.625 -0.943 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.711 -11.388 -0.762 1.00 0.00 H new ATOM 1187 N SER A 73 -0.157 -10.955 -1.414 1.00 0.00 N ATOM 1188 CA SER A 73 0.388 -11.909 -2.373 1.00 0.00 C ATOM 1189 C SER A 73 1.870 -12.163 -2.081 1.00 0.00 C ATOM 1190 O SER A 73 2.404 -13.233 -2.367 1.00 0.00 O ATOM 1191 CB SER A 73 0.210 -11.392 -3.811 1.00 0.00 C ATOM 1192 OG SER A 73 1.270 -10.533 -4.201 1.00 0.00 O ATOM 0 H SER A 73 -0.416 -10.054 -1.815 1.00 0.00 H new ATOM 0 HA SER A 73 -0.157 -12.848 -2.274 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.158 -12.238 -4.497 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.737 -10.858 -3.890 1.00 0.00 H new ATOM 0 HG SER A 73 1.032 -9.605 -3.995 1.00 0.00 H new ATOM 1198 N CYS A 74 2.518 -11.161 -1.499 1.00 0.00 N ATOM 1199 CA CYS A 74 3.937 -11.232 -1.185 1.00 0.00 C ATOM 1200 C CYS A 74 4.167 -11.807 0.216 1.00 0.00 C ATOM 1201 O CYS A 74 4.998 -12.692 0.400 1.00 0.00 O ATOM 1202 CB CYS A 74 4.566 -9.837 -1.307 1.00 0.00 C ATOM 1203 SG CYS A 74 6.354 -9.791 -1.030 1.00 0.00 S ATOM 0 H CYS A 74 2.076 -10.281 -1.233 1.00 0.00 H new ATOM 0 HA CYS A 74 4.416 -11.903 -1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.355 -9.443 -2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.083 -9.171 -0.592 1.00 0.00 H new ATOM 0 HG CYS A 74 6.906 -10.830 -1.583 1.00 0.00 H new ATOM 1209 N LEU A 75 3.429 -11.291 1.196 1.00 0.00 N ATOM 1210 CA LEU A 75 3.550 -11.739 2.587 1.00 0.00 C ATOM 1211 C LEU A 75 3.238 -13.225 2.725 1.00 0.00 C ATOM 1212 O LEU A 75 3.860 -13.928 3.519 1.00 0.00 O ATOM 1213 CB LEU A 75 2.593 -10.954 3.482 1.00 0.00 C ATOM 1214 CG LEU A 75 2.367 -9.514 3.074 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.219 -8.932 3.860 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.631 -8.706 3.282 1.00 0.00 C ATOM 0 H LEU A 75 2.735 -10.557 1.054 1.00 0.00 H new ATOM 0 HA LEU A 75 4.581 -11.564 2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.631 -11.466 3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.978 -10.970 4.502 1.00 0.00 H new ATOM 0 HG LEU A 75 2.113 -9.478 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.062 -7.896 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.314 -9.507 3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.450 -8.972 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.455 -7.672 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.914 -8.738 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.435 -9.126 2.677 1.00 0.00 H new ATOM 1228 N ARG A 76 2.272 -13.699 1.946 1.00 0.00 N ATOM 1229 CA ARG A 76 1.856 -15.097 2.006 1.00 0.00 C ATOM 1230 C ARG A 76 2.802 -15.988 1.206 1.00 0.00 C ATOM 1231 O ARG A 76 2.547 -17.180 1.012 1.00 0.00 O ATOM 1232 CB ARG A 76 0.424 -15.246 1.507 1.00 0.00 C ATOM 1233 CG ARG A 76 -0.594 -14.633 2.447 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.972 -14.580 1.816 1.00 0.00 C ATOM 1235 NE ARG A 76 -2.488 -15.911 1.499 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.782 -16.200 1.358 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -4.702 -15.253 1.500 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -4.155 -17.440 1.069 1.00 0.00 N ATOM 0 H ARG A 76 1.762 -13.136 1.265 1.00 0.00 H new ATOM 0 HA ARG A 76 1.897 -15.419 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.335 -14.777 0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.199 -16.304 1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.637 -15.214 3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.279 -13.626 2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.661 -14.078 2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.930 -13.983 0.905 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.814 -16.667 1.378 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.421 -14.297 1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.690 -15.481 1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.452 -18.170 0.955 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.144 -17.663 0.961 1.00 0.00 H new ATOM 1252 N LYS A 77 3.888 -15.396 0.743 1.00 0.00 N ATOM 1253 CA LYS A 77 4.938 -16.119 0.048 1.00 0.00 C ATOM 1254 C LYS A 77 6.288 -15.715 0.624 1.00 0.00 C ATOM 1255 O LYS A 77 6.341 -14.990 1.618 1.00 0.00 O ATOM 1256 CB LYS A 77 4.883 -15.839 -1.451 1.00 0.00 C ATOM 1257 CG LYS A 77 3.695 -16.498 -2.118 1.00 0.00 C ATOM 1258 CD LYS A 77 3.497 -16.010 -3.542 1.00 0.00 C ATOM 1259 CE LYS A 77 2.198 -16.532 -4.136 1.00 0.00 C ATOM 1260 NZ LYS A 77 2.145 -18.019 -4.157 1.00 0.00 N ATOM 0 H LYS A 77 4.067 -14.396 0.839 1.00 0.00 H new ATOM 0 HA LYS A 77 4.794 -17.190 0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.837 -14.762 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.802 -16.194 -1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.835 -17.579 -2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.795 -16.295 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.493 -14.920 -3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.336 -16.334 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.357 -16.149 -3.558 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.087 -16.152 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.299 -18.329 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.995 -18.390 -4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.105 -18.379 -3.182 1.00 0.00 H new ATOM 1274 N LYS A 78 7.374 -16.174 0.030 1.00 0.00 N ATOM 1275 CA LYS A 78 8.690 -15.760 0.486 1.00 0.00 C ATOM 1276 C LYS A 78 9.137 -14.492 -0.243 1.00 0.00 C ATOM 1277 O LYS A 78 8.846 -13.389 0.219 1.00 0.00 O ATOM 1278 CB LYS A 78 9.708 -16.895 0.339 1.00 0.00 C ATOM 1279 CG LYS A 78 9.929 -17.682 1.627 1.00 0.00 C ATOM 1280 CD LYS A 78 8.664 -18.381 2.108 1.00 0.00 C ATOM 1281 CE LYS A 78 8.251 -19.508 1.177 1.00 0.00 C ATOM 1282 NZ LYS A 78 7.019 -20.193 1.646 1.00 0.00 N ATOM 0 H LYS A 78 7.374 -16.823 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 78 8.629 -15.524 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.370 -17.577 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.660 -16.479 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.711 -18.424 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.285 -17.007 2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.827 -18.779 3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.854 -17.655 2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.086 -19.109 0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.062 -20.232 1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.772 -20.955 0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.184 -20.596 2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.238 -19.508 1.693 1.00 0.00 H new ATOM 1296 N ARG A 79 9.814 -14.653 -1.384 1.00 0.00 N ATOM 1297 CA ARG A 79 10.227 -13.519 -2.225 1.00 0.00 C ATOM 1298 C ARG A 79 10.974 -12.448 -1.425 1.00 0.00 C ATOM 1299 O ARG A 79 10.398 -11.421 -1.057 1.00 0.00 O ATOM 1300 CB ARG A 79 9.018 -12.874 -2.919 1.00 0.00 C ATOM 1301 CG ARG A 79 8.441 -13.671 -4.085 1.00 0.00 C ATOM 1302 CD ARG A 79 7.761 -14.954 -3.635 1.00 0.00 C ATOM 1303 NE ARG A 79 6.975 -15.555 -4.712 1.00 0.00 N ATOM 1304 CZ ARG A 79 7.088 -16.819 -5.114 1.00 0.00 C ATOM 1305 NH1 ARG A 79 7.967 -17.636 -4.545 1.00 0.00 N ATOM 1306 NH2 ARG A 79 6.316 -17.263 -6.092 1.00 0.00 N ATOM 0 H ARG A 79 10.091 -15.564 -1.751 1.00 0.00 H new ATOM 0 HA ARG A 79 10.905 -13.926 -2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.232 -12.722 -2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.310 -11.888 -3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.723 -13.053 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.240 -13.914 -4.785 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.514 -15.665 -3.293 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.112 -14.743 -2.785 1.00 0.00 H new ATOM 0 HE ARG A 79 6.293 -14.965 -5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.565 -17.297 -3.791 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.044 -18.602 -4.862 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.640 -16.638 -6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.396 -18.230 -6.406 1.00 0.00 H new ATOM 1320 N LYS A 80 12.258 -12.673 -1.182 1.00 0.00 N ATOM 1321 CA LYS A 80 13.065 -11.743 -0.400 1.00 0.00 C ATOM 1322 C LYS A 80 14.488 -11.684 -0.956 1.00 0.00 C ATOM 1323 O LYS A 80 15.442 -12.089 -0.289 1.00 0.00 O ATOM 1324 CB LYS A 80 13.098 -12.158 1.079 1.00 0.00 C ATOM 1325 CG LYS A 80 11.738 -12.145 1.761 1.00 0.00 C ATOM 1326 CD LYS A 80 11.832 -12.600 3.209 1.00 0.00 C ATOM 1327 CE LYS A 80 10.459 -12.685 3.862 1.00 0.00 C ATOM 1328 NZ LYS A 80 9.773 -11.366 3.907 1.00 0.00 N ATOM 0 H LYS A 80 12.765 -13.493 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 80 12.611 -10.755 -0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.520 -13.160 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.769 -11.488 1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.321 -11.139 1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.052 -12.796 1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.317 -13.575 3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.459 -11.906 3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.841 -13.395 3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.564 -13.072 4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.907 -11.444 4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.406 -10.660 4.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.526 -11.070 2.941 1.00 0.00 H new ATOM 1342 N PRO A 81 14.650 -11.180 -2.194 1.00 0.00 N ATOM 1343 CA PRO A 81 15.956 -11.118 -2.855 1.00 0.00 C ATOM 1344 C PRO A 81 16.910 -10.161 -2.150 1.00 0.00 C ATOM 1345 O PRO A 81 18.098 -10.446 -1.992 1.00 0.00 O ATOM 1346 CB PRO A 81 15.628 -10.613 -4.262 1.00 0.00 C ATOM 1347 CG PRO A 81 14.327 -9.905 -4.122 1.00 0.00 C ATOM 1348 CD PRO A 81 13.576 -10.632 -3.043 1.00 0.00 C ATOM 0 HA PRO A 81 16.462 -12.083 -2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.404 -9.943 -4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.554 -11.438 -4.971 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.478 -8.859 -3.856 1.00 0.00 H new ATOM 0 HG3 PRO A 81 13.772 -9.918 -5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.924 -9.961 -2.484 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.945 -11.421 -3.453 1.00 0.00 H new ATOM 1356 N GLN A 82 16.376 -9.031 -1.717 1.00 0.00 N ATOM 1357 CA GLN A 82 17.159 -8.033 -1.014 1.00 0.00 C ATOM 1358 C GLN A 82 16.373 -7.523 0.186 1.00 0.00 C ATOM 1359 O GLN A 82 15.630 -6.543 0.092 1.00 0.00 O ATOM 1360 CB GLN A 82 17.527 -6.883 -1.953 1.00 0.00 C ATOM 1361 CG GLN A 82 18.321 -5.772 -1.284 1.00 0.00 C ATOM 1362 CD GLN A 82 18.777 -4.705 -2.259 1.00 0.00 C ATOM 1363 OE1 GLN A 82 18.041 -4.533 -3.348 1.00 0.00 O flip ATOM 1364 NE2 GLN A 82 19.795 -4.047 -2.041 1.00 0.00 N flip ATOM 0 H GLN A 82 15.395 -8.782 -1.842 1.00 0.00 H new ATOM 0 HA GLN A 82 18.086 -8.486 -0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.106 -7.279 -2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.613 -6.462 -2.372 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.709 -5.311 -0.508 1.00 0.00 H new ATOM 0 HG3 GLN A 82 19.192 -6.202 -0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 82 20.335 -4.209 -1.191 1.00 0.00 H new ATOM 0 HE22 GLN A 82 20.098 -3.340 -2.711 1.00 0.00 H new ATOM 1373 N ALA A 83 16.522 -8.219 1.298 1.00 0.00 N ATOM 1374 CA ALA A 83 15.824 -7.876 2.523 1.00 0.00 C ATOM 1375 C ALA A 83 16.703 -8.186 3.723 1.00 0.00 C ATOM 1376 O ALA A 83 16.781 -9.368 4.115 1.00 0.00 O ATOM 1377 CB ALA A 83 14.506 -8.629 2.614 1.00 0.00 C ATOM 1378 OXT ALA A 83 17.336 -7.250 4.252 1.00 0.00 O ATOM 0 H ALA A 83 17.128 -9.035 1.377 1.00 0.00 H new ATOM 0 HA ALA A 83 15.604 -6.808 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.996 -8.360 3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.877 -8.366 1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.699 -9.702 2.605 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N GLU B 201 -6.306 8.622 12.826 1.00 0.00 N ATOM 1386 CA GLU B 201 -5.670 8.859 11.512 1.00 0.00 C ATOM 1387 C GLU B 201 -4.649 7.767 11.217 1.00 0.00 C ATOM 1388 O GLU B 201 -3.942 7.306 12.116 1.00 0.00 O ATOM 1389 CB GLU B 201 -4.998 10.238 11.485 1.00 0.00 C ATOM 1390 CG GLU B 201 -3.902 10.414 12.526 1.00 0.00 C ATOM 1391 CD GLU B 201 -3.332 11.816 12.540 1.00 0.00 C ATOM 1392 OE1 GLU B 201 -2.390 12.089 11.769 1.00 0.00 O ATOM 1393 OE2 GLU B 201 -3.820 12.654 13.324 1.00 0.00 O ATOM 0 HA GLU B 201 -6.441 8.834 10.742 1.00 0.00 H new ATOM 0 HB2 GLU B 201 -4.574 10.405 10.495 1.00 0.00 H new ATOM 0 HB3 GLU B 201 -5.758 11.004 11.640 1.00 0.00 H new ATOM 0 HG2 GLU B 201 -4.302 10.178 13.512 1.00 0.00 H new ATOM 0 HG3 GLU B 201 -3.101 9.702 12.328 1.00 0.00 H new ATOM 1402 N ILE B 202 -4.580 7.347 9.963 1.00 0.00 N ATOM 1403 CA ILE B 202 -3.634 6.321 9.550 1.00 0.00 C ATOM 1404 C ILE B 202 -2.817 6.825 8.366 1.00 0.00 C ATOM 1405 O ILE B 202 -3.318 6.914 7.243 1.00 0.00 O ATOM 1406 CB ILE B 202 -4.345 4.997 9.167 1.00 0.00 C ATOM 1407 CG1 ILE B 202 -5.150 4.441 10.351 1.00 0.00 C ATOM 1408 CG2 ILE B 202 -3.331 3.964 8.686 1.00 0.00 C ATOM 1409 CD1 ILE B 202 -4.296 3.966 11.511 1.00 0.00 C ATOM 0 H ILE B 202 -5.170 7.702 9.211 1.00 0.00 H new ATOM 0 HA ILE B 202 -2.979 6.113 10.396 1.00 0.00 H new ATOM 0 HB ILE B 202 -5.038 5.212 8.354 1.00 0.00 H new ATOM 0 HG12 ILE B 202 -5.832 5.213 10.708 1.00 0.00 H new ATOM 0 HG13 ILE B 202 -5.764 3.611 10.002 1.00 0.00 H new ATOM 0 HG21 ILE B 202 -3.849 3.042 8.422 1.00 0.00 H new ATOM 0 HG22 ILE B 202 -2.806 4.349 7.812 1.00 0.00 H new ATOM 0 HG23 ILE B 202 -2.613 3.762 9.480 1.00 0.00 H new ATOM 0 HD11 ILE B 202 -4.939 3.588 12.306 1.00 0.00 H new ATOM 0 HD12 ILE B 202 -3.632 3.170 11.172 1.00 0.00 H new ATOM 0 HD13 ILE B 202 -3.702 4.798 11.890 1.00 0.00 H new ATOM 1421 N LYS B 203 -1.567 7.174 8.624 1.00 0.00 N ATOM 1422 CA LYS B 203 -0.705 7.738 7.597 1.00 0.00 C ATOM 1423 C LYS B 203 0.539 6.876 7.431 1.00 0.00 C ATOM 1424 O LYS B 203 1.216 6.566 8.413 1.00 0.00 O ATOM 1425 CB LYS B 203 -0.295 9.167 7.969 1.00 0.00 C ATOM 1426 CG LYS B 203 -1.431 10.007 8.534 1.00 0.00 C ATOM 1427 CD LYS B 203 -1.019 11.458 8.713 1.00 0.00 C ATOM 1428 CE LYS B 203 -0.838 12.156 7.377 1.00 0.00 C ATOM 1429 NZ LYS B 203 -0.391 13.564 7.537 1.00 0.00 N ATOM 0 H LYS B 203 -1.125 7.076 9.538 1.00 0.00 H new ATOM 0 HA LYS B 203 -1.256 7.762 6.657 1.00 0.00 H new ATOM 0 HB2 LYS B 203 0.511 9.124 8.701 1.00 0.00 H new ATOM 0 HB3 LYS B 203 0.104 9.662 7.084 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -2.291 9.952 7.867 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -1.745 9.596 9.494 1.00 0.00 H new ATOM 0 HD2 LYS B 203 -1.775 11.982 9.299 1.00 0.00 H new ATOM 0 HD3 LYS B 203 -0.088 11.506 9.278 1.00 0.00 H new ATOM 0 HE2 LYS B 203 -0.108 11.610 6.780 1.00 0.00 H new ATOM 0 HE3 LYS B 203 -1.779 12.135 6.827 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 -0.280 14.002 6.600 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 -1.099 14.093 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 0.520 13.584 8.038 1.00 0.00 H new ATOM 1443 N LEU B 204 0.841 6.492 6.199 1.00 0.00 N ATOM 1444 CA LEU B 204 1.997 5.644 5.934 1.00 0.00 C ATOM 1445 C LEU B 204 3.052 6.410 5.145 1.00 0.00 C ATOM 1446 O LEU B 204 2.922 6.602 3.936 1.00 0.00 O ATOM 1447 CB LEU B 204 1.591 4.393 5.146 1.00 0.00 C ATOM 1448 CG LEU B 204 2.275 3.080 5.567 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.946 1.970 4.582 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.785 3.240 5.685 1.00 0.00 C ATOM 0 H LEU B 204 0.306 6.752 5.370 1.00 0.00 H new ATOM 0 HA LEU B 204 2.410 5.340 6.896 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.513 4.264 5.238 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.802 4.568 4.091 1.00 0.00 H new ATOM 0 HG LEU B 204 1.889 2.814 6.551 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.438 1.049 4.895 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.867 1.815 4.556 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.297 2.249 3.589 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.229 2.291 5.984 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.195 3.545 4.722 1.00 0.00 H new ATOM 0 HD23 LEU B 204 4.013 3.999 6.433 1.00 0.00 H new ATOM 1462 N LYS B 205 4.088 6.845 5.835 1.00 0.00 N ATOM 1463 CA LYS B 205 5.230 7.464 5.184 1.00 0.00 C ATOM 1464 C LYS B 205 6.208 6.394 4.723 1.00 0.00 C ATOM 1465 O LYS B 205 7.274 6.232 5.321 1.00 0.00 O ATOM 1466 CB LYS B 205 5.948 8.421 6.141 1.00 0.00 C ATOM 1467 CG LYS B 205 5.240 9.744 6.369 1.00 0.00 C ATOM 1468 CD LYS B 205 5.169 10.563 5.092 1.00 0.00 C ATOM 1469 CE LYS B 205 4.908 12.030 5.382 1.00 0.00 C ATOM 1470 NZ LYS B 205 3.723 12.230 6.263 1.00 0.00 N ATOM 0 H LYS B 205 4.164 6.782 6.850 1.00 0.00 H new ATOM 0 HA LYS B 205 4.866 8.028 4.325 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.076 7.923 7.102 1.00 0.00 H new ATOM 0 HB3 LYS B 205 6.946 8.622 5.751 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.232 9.559 6.741 1.00 0.00 H new ATOM 0 HG3 LYS B 205 5.765 10.311 7.138 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.104 10.461 4.542 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.378 10.172 4.452 1.00 0.00 H new ATOM 0 HE2 LYS B 205 5.788 12.467 5.855 1.00 0.00 H new ATOM 0 HE3 LYS B 205 4.754 12.562 4.443 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 3.399 13.216 6.191 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 2.958 11.591 5.966 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 3.984 12.023 7.248 1.00 0.00 H new ATOM 1484 N ILE B 206 5.851 5.645 3.680 1.00 0.00 N ATOM 1485 CA ILE B 206 6.744 4.604 3.190 1.00 0.00 C ATOM 1486 C ILE B 206 8.032 5.237 2.685 1.00 0.00 C ATOM 1487 O ILE B 206 7.994 6.088 1.794 1.00 0.00 O ATOM 1488 CB ILE B 206 6.182 3.752 2.028 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.679 3.522 2.091 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.855 2.403 2.062 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.132 2.882 0.829 1.00 0.00 C ATOM 0 H ILE B 206 4.972 5.737 3.171 1.00 0.00 H new ATOM 0 HA ILE B 206 6.892 3.942 4.043 1.00 0.00 H new ATOM 0 HB ILE B 206 6.382 4.308 1.112 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.448 2.886 2.946 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.176 4.475 2.258 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.473 1.785 1.250 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.931 2.530 1.946 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.648 1.917 3.016 1.00 0.00 H new ATOM 0 HD11 ILE B 206 3.056 2.741 0.929 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.335 3.529 -0.024 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.611 1.915 0.674 1.00 0.00 H new ATOM 1503 N THR B 207 9.156 4.823 3.237 1.00 0.00 N ATOM 1504 CA THR B 207 10.446 5.353 2.831 1.00 0.00 C ATOM 1505 C THR B 207 11.226 4.332 2.006 1.00 0.00 C ATOM 1506 O THR B 207 11.583 3.265 2.510 1.00 0.00 O ATOM 1507 CB THR B 207 11.268 5.776 4.061 1.00 0.00 C ATOM 1508 OG1 THR B 207 11.049 4.846 5.132 1.00 0.00 O ATOM 1509 CG2 THR B 207 10.888 7.178 4.512 1.00 0.00 C ATOM 0 H THR B 207 9.203 4.117 3.972 1.00 0.00 H new ATOM 0 HA THR B 207 10.265 6.229 2.209 1.00 0.00 H new ATOM 0 HB THR B 207 12.323 5.777 3.787 1.00 0.00 H new ATOM 0 HG1 THR B 207 11.575 5.117 5.913 1.00 0.00 H new ATOM 0 HG21 THR B 207 11.483 7.454 5.383 1.00 0.00 H new ATOM 0 HG22 THR B 207 11.078 7.884 3.704 1.00 0.00 H new ATOM 0 HG23 THR B 207 9.830 7.202 4.773 1.00 0.00 H new ATOM 1517 N LYS B 208 11.485 4.661 0.739 1.00 0.00 N ATOM 1518 CA LYS B 208 12.193 3.756 -0.168 1.00 0.00 C ATOM 1519 C LYS B 208 12.416 4.413 -1.532 1.00 0.00 C ATOM 1520 O LYS B 208 12.399 5.633 -1.634 1.00 0.00 O ATOM 1521 CB LYS B 208 11.458 2.399 -0.317 1.00 0.00 C ATOM 1522 CG LYS B 208 10.202 2.389 -1.194 1.00 0.00 C ATOM 1523 CD LYS B 208 9.096 3.282 -0.664 1.00 0.00 C ATOM 1524 CE LYS B 208 9.142 4.635 -1.335 1.00 0.00 C ATOM 1525 NZ LYS B 208 8.144 5.575 -0.782 1.00 0.00 N ATOM 0 H LYS B 208 11.214 5.549 0.317 1.00 0.00 H new ATOM 0 HA LYS B 208 13.168 3.549 0.274 1.00 0.00 H new ATOM 0 HB2 LYS B 208 12.163 1.673 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS B 208 11.181 2.051 0.678 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.468 2.709 -2.201 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.829 1.368 -1.272 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.127 2.815 -0.840 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.201 3.400 0.414 1.00 0.00 H new ATOM 0 HE2 LYS B 208 10.139 5.060 -1.221 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.968 4.513 -2.404 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.385 6.545 -1.069 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.200 5.331 -1.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 8.144 5.511 0.256 1.00 0.00 H new ATOM 1539 N THR B 209 12.637 3.589 -2.561 1.00 0.00 N ATOM 1540 CA THR B 209 12.898 4.049 -3.931 1.00 0.00 C ATOM 1541 C THR B 209 14.107 4.975 -3.991 1.00 0.00 C ATOM 1542 O THR B 209 14.117 5.968 -4.715 1.00 0.00 O ATOM 1543 CB THR B 209 11.671 4.724 -4.608 1.00 0.00 C ATOM 1544 OG1 THR B 209 11.150 5.792 -3.811 1.00 0.00 O ATOM 1545 CG2 THR B 209 10.566 3.712 -4.866 1.00 0.00 C ATOM 0 H THR B 209 12.640 2.573 -2.467 1.00 0.00 H new ATOM 0 HA THR B 209 13.113 3.145 -4.500 1.00 0.00 H new ATOM 0 HB THR B 209 12.019 5.131 -5.557 1.00 0.00 H new ATOM 0 HG1 THR B 209 11.803 6.034 -3.121 1.00 0.00 H new ATOM 0 HG21 THR B 209 9.720 4.210 -5.340 1.00 0.00 H new ATOM 0 HG22 THR B 209 10.939 2.926 -5.523 1.00 0.00 H new ATOM 0 HG23 THR B 209 10.246 3.274 -3.921 1.00 0.00 H new ATOM 1553 N ILE B 210 15.130 4.630 -3.226 1.00 0.00 N ATOM 1554 CA ILE B 210 16.379 5.376 -3.239 1.00 0.00 C ATOM 1555 C ILE B 210 17.459 4.576 -3.948 1.00 0.00 C ATOM 1556 O ILE B 210 18.536 5.084 -4.245 1.00 0.00 O ATOM 1557 CB ILE B 210 16.852 5.726 -1.812 1.00 0.00 C ATOM 1558 CG1 ILE B 210 16.930 4.465 -0.944 1.00 0.00 C ATOM 1559 CG2 ILE B 210 15.922 6.755 -1.189 1.00 0.00 C ATOM 1560 CD1 ILE B 210 17.418 4.724 0.465 1.00 0.00 C ATOM 0 H ILE B 210 15.120 3.836 -2.586 1.00 0.00 H new ATOM 0 HA ILE B 210 16.197 6.308 -3.774 1.00 0.00 H new ATOM 0 HB ILE B 210 17.852 6.156 -1.871 1.00 0.00 H new ATOM 0 HG12 ILE B 210 15.943 4.005 -0.898 1.00 0.00 H new ATOM 0 HG13 ILE B 210 17.595 3.746 -1.423 1.00 0.00 H new ATOM 0 HG21 ILE B 210 16.266 6.994 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE B 210 15.921 7.660 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE B 210 14.911 6.350 -1.140 1.00 0.00 H new ATOM 0 HD11 ILE B 210 17.447 3.785 1.018 1.00 0.00 H new ATOM 0 HD12 ILE B 210 18.418 5.155 0.430 1.00 0.00 H new ATOM 0 HD13 ILE B 210 16.741 5.418 0.963 1.00 0.00 H new ATOM 1572 N GLN B 211 17.156 3.310 -4.203 1.00 0.00 N ATOM 1573 CA GLN B 211 18.071 2.415 -4.897 1.00 0.00 C ATOM 1574 C GLN B 211 17.319 1.623 -5.960 1.00 0.00 C ATOM 1575 O GLN B 211 17.682 0.492 -6.291 1.00 0.00 O ATOM 1576 CB GLN B 211 18.740 1.465 -3.899 1.00 0.00 C ATOM 1577 CG GLN B 211 19.736 2.144 -2.972 1.00 0.00 C ATOM 1578 CD GLN B 211 20.992 2.594 -3.691 1.00 0.00 C ATOM 1579 OE1 GLN B 211 21.972 1.855 -3.773 1.00 0.00 O ATOM 1580 NE2 GLN B 211 20.969 3.803 -4.226 1.00 0.00 N ATOM 0 H GLN B 211 16.272 2.876 -3.936 1.00 0.00 H new ATOM 0 HA GLN B 211 18.845 3.008 -5.384 1.00 0.00 H new ATOM 0 HB2 GLN B 211 17.969 0.984 -3.297 1.00 0.00 H new ATOM 0 HB3 GLN B 211 19.252 0.676 -4.451 1.00 0.00 H new ATOM 0 HG2 GLN B 211 19.261 3.007 -2.505 1.00 0.00 H new ATOM 0 HG3 GLN B 211 20.007 1.456 -2.171 1.00 0.00 H new ATOM 0 HE21 GLN B 211 20.136 4.385 -4.136 1.00 0.00 H new ATOM 0 HE22 GLN B 211 21.784 4.154 -4.729 1.00 0.00 H new ATOM 1589 N ASN B 212 16.263 2.228 -6.486 1.00 0.00 N ATOM 1590 CA ASN B 212 15.426 1.586 -7.492 1.00 0.00 C ATOM 1591 C ASN B 212 14.951 2.618 -8.502 1.00 0.00 C ATOM 1592 O ASN B 212 15.433 2.597 -9.651 1.00 0.00 O ATOM 1593 CB ASN B 212 14.221 0.899 -6.842 1.00 0.00 C ATOM 1594 CG ASN B 212 13.381 0.124 -7.844 1.00 0.00 C ATOM 1595 OD1 ASN B 212 13.634 -1.054 -8.106 1.00 0.00 O ATOM 1596 ND2 ASN B 212 12.372 0.770 -8.404 1.00 0.00 N ATOM 1597 OXT ASN B 212 14.131 3.483 -8.126 1.00 0.00 O ATOM 0 H ASN B 212 15.964 3.169 -6.231 1.00 0.00 H new ATOM 0 HA ASN B 212 16.020 0.827 -8.001 1.00 0.00 H new ATOM 0 HB2 ASN B 212 14.570 0.220 -6.064 1.00 0.00 H new ATOM 0 HB3 ASN B 212 13.599 1.649 -6.355 1.00 0.00 H new ATOM 0 HD21 ASN B 212 11.772 0.293 -9.078 1.00 0.00 H new ATOM 0 HD22 ASN B 212 12.193 1.745 -8.162 1.00 0.00 H new TER 1604 ASN B 212