USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 998 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 127 LYS NZ :NH3+ 171:sc= -0.516 (180deg=-2.13!) USER MOD Set 1.2: A 128 SER OG : rot -95:sc= 1.68 USER MOD Set 2.1: A 116 LYS NZ :NH3+ 140:sc= 1.4 (180deg=0) USER MOD Set 2.2: A 119 ASN : amide:sc= -1.39 K(o=0.0077,f=-9.9!) USER MOD Set 3.1: A 93 TYR OH : rot 10:sc= 1.13 USER MOD Set 3.2: A 121 HIS : no HD1:sc= -0.073 K(o=1.1,f=-3.3!) USER MOD Single : A 8 HIS : no HE2:sc= 0.973 K(o=0.97,f=-3.6!) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 1.03 (180deg=0.811) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.026) USER MOD Single : A 22 THR OG1 : rot -9:sc= -0.207 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 168:sc= -0.0237 (180deg=-0.254) USER MOD Single : A 27 TYR OH : rot 80:sc= 0.228 USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= 1.22 (180deg=1.11) USER MOD Single : A 30 GLN : amide:sc= -0.537 K(o=-0.54,f=-3.3!) USER MOD Single : A 32 MET CE :methyl -161:sc= 0 (180deg=-0.244) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -75:sc= 1.51 USER MOD Single : A 59 SER OG : rot -168:sc= -1.01 USER MOD Single : A 62 THR OG1 : rot 162:sc= 0.957 USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.2) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 179:sc= -1.34 (180deg=-1.35) USER MOD Single : A 68 ASN : amide:sc= -0.0131 K(o=-0.013,f=-0.94) USER MOD Single : A 70 LYS NZ :NH3+ 150:sc= -0.602 (180deg=-1.63!) USER MOD Single : A 71 LYS NZ :NH3+ -146:sc= 1.21 (180deg=0.18!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0.289 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl 160:sc= -0.261 (180deg=-1.41) USER MOD Single : A 100 ASN : amide:sc= -1.53! C(o=-1.5!,f=-8.9!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.0718 F(o=-0.92,f=-0.072) USER MOD Single : A 110 LYS NZ :NH3+ 169:sc= -0.0119 (180deg=-0.136) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= 1.75 K(o=1.7,f=-5.8!) USER MOD Single : A 120 THR OG1 : rot 132:sc= 1.17 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 GLN : amide:sc= 0.186 K(o=0.19,f=-1.1) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.5!) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N HIS A 8 -5.151 -16.285 2.836 1.00 0.00 N ATOM 116 CA HIS A 8 -4.798 -17.081 1.659 1.00 0.00 C ATOM 117 C HIS A 8 -4.731 -16.197 0.422 1.00 0.00 C ATOM 118 O HIS A 8 -5.555 -15.284 0.275 1.00 0.00 O ATOM 119 CB HIS A 8 -5.856 -18.197 1.427 1.00 0.00 C ATOM 120 CG HIS A 8 -7.269 -17.695 1.150 1.00 0.00 C ATOM 121 ND1 HIS A 8 -7.926 -17.877 -0.052 1.00 0.00 N ATOM 122 CD2 HIS A 8 -8.146 -17.036 1.948 1.00 0.00 C ATOM 123 CE1 HIS A 8 -9.131 -17.359 0.028 1.00 0.00 C ATOM 124 NE2 HIS A 8 -9.287 -16.845 1.225 1.00 0.00 N ATOM 0 HA HIS A 8 -3.822 -17.534 1.835 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.534 -18.814 0.588 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.881 -18.842 2.305 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -7.537 -18.341 -0.873 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.973 -16.721 2.966 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.870 -17.357 -0.760 1.00 0.00 H new ATOM 133 N LYS A 9 -3.775 -16.457 -0.454 1.00 0.00 N ATOM 134 CA LYS A 9 -3.690 -15.736 -1.698 1.00 0.00 C ATOM 135 C LYS A 9 -4.554 -16.359 -2.753 1.00 0.00 C ATOM 136 O LYS A 9 -4.611 -17.583 -2.896 1.00 0.00 O ATOM 137 CB LYS A 9 -2.278 -15.638 -2.268 1.00 0.00 C ATOM 138 CG LYS A 9 -1.386 -14.541 -1.703 1.00 0.00 C ATOM 139 CD LYS A 9 -0.562 -14.971 -0.500 1.00 0.00 C ATOM 140 CE LYS A 9 0.403 -16.082 -0.831 1.00 0.00 C ATOM 141 NZ LYS A 9 1.242 -15.797 -2.026 1.00 0.00 N ATOM 0 H LYS A 9 -3.051 -17.163 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.032 -14.732 -1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.781 -16.595 -2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.356 -15.492 -3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.712 -14.195 -2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.008 -13.692 -1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.008 -14.114 -0.118 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.230 -15.299 0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.052 -16.257 0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.157 -17.002 -1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.993 -16.512 -2.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.650 -15.825 -2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.670 -14.854 -1.933 1.00 0.00 H new ATOM 155 N GLU A 10 -5.206 -15.520 -3.474 1.00 0.00 N ATOM 156 CA GLU A 10 -5.979 -15.888 -4.617 1.00 0.00 C ATOM 157 C GLU A 10 -5.405 -15.101 -5.799 1.00 0.00 C ATOM 158 O GLU A 10 -5.153 -13.900 -5.667 1.00 0.00 O ATOM 159 CB GLU A 10 -7.451 -15.519 -4.407 1.00 0.00 C ATOM 160 CG GLU A 10 -8.148 -16.232 -3.242 1.00 0.00 C ATOM 161 CD GLU A 10 -8.277 -17.735 -3.426 1.00 0.00 C ATOM 162 OE1 GLU A 10 -9.108 -18.178 -4.262 1.00 0.00 O ATOM 163 OE2 GLU A 10 -7.604 -18.510 -2.706 1.00 0.00 O ATOM 0 H GLU A 10 -5.220 -14.518 -3.281 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.931 -16.963 -4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.519 -14.443 -4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.997 -15.738 -5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.593 -16.035 -2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.143 -15.806 -3.111 1.00 0.00 H new ATOM 170 N PRO A 11 -5.120 -15.758 -6.926 1.00 0.00 N ATOM 171 CA PRO A 11 -4.556 -15.090 -8.111 1.00 0.00 C ATOM 172 C PRO A 11 -5.563 -14.140 -8.783 1.00 0.00 C ATOM 173 O PRO A 11 -6.740 -14.487 -8.975 1.00 0.00 O ATOM 174 CB PRO A 11 -4.208 -16.257 -9.044 1.00 0.00 C ATOM 175 CG PRO A 11 -5.129 -17.354 -8.634 1.00 0.00 C ATOM 176 CD PRO A 11 -5.315 -17.205 -7.151 1.00 0.00 C ATOM 0 HA PRO A 11 -3.702 -14.461 -7.858 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.355 -15.986 -10.089 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.165 -16.554 -8.935 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.083 -17.279 -9.156 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.708 -18.329 -8.879 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.306 -17.531 -6.835 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.591 -17.800 -6.593 1.00 0.00 H new ATOM 184 N ALA A 12 -5.107 -12.961 -9.128 1.00 0.00 N ATOM 185 CA ALA A 12 -5.930 -11.961 -9.764 1.00 0.00 C ATOM 186 C ALA A 12 -5.167 -11.300 -10.908 1.00 0.00 C ATOM 187 O ALA A 12 -3.976 -11.557 -11.097 1.00 0.00 O ATOM 188 CB ALA A 12 -6.350 -10.926 -8.743 1.00 0.00 C ATOM 0 H ALA A 12 -4.143 -12.665 -8.973 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.820 -12.437 -10.175 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.972 -10.171 -9.225 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.917 -11.409 -7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.464 -10.451 -8.321 1.00 0.00 H new ATOM 194 N THR A 13 -5.854 -10.482 -11.667 1.00 0.00 N ATOM 195 CA THR A 13 -5.282 -9.779 -12.800 1.00 0.00 C ATOM 196 C THR A 13 -5.794 -8.345 -12.755 1.00 0.00 C ATOM 197 O THR A 13 -6.984 -8.149 -12.624 1.00 0.00 O ATOM 198 CB THR A 13 -5.774 -10.446 -14.098 1.00 0.00 C ATOM 199 OG1 THR A 13 -5.540 -11.862 -14.005 1.00 0.00 O ATOM 200 CG2 THR A 13 -5.033 -9.899 -15.304 1.00 0.00 C ATOM 0 H THR A 13 -6.842 -10.280 -11.516 1.00 0.00 H new ATOM 0 HA THR A 13 -4.193 -9.804 -12.766 1.00 0.00 H new ATOM 0 HB THR A 13 -6.837 -10.237 -14.221 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.850 -12.299 -14.825 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.399 -10.386 -16.208 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.201 -8.825 -15.378 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.966 -10.093 -15.194 1.00 0.00 H new ATOM 208 N LEU A 14 -4.928 -7.355 -12.852 1.00 0.00 N ATOM 209 CA LEU A 14 -5.379 -5.969 -12.714 1.00 0.00 C ATOM 210 C LEU A 14 -6.131 -5.488 -13.943 1.00 0.00 C ATOM 211 O LEU A 14 -5.831 -5.902 -15.065 1.00 0.00 O ATOM 212 CB LEU A 14 -4.219 -5.007 -12.483 1.00 0.00 C ATOM 213 CG LEU A 14 -4.640 -3.556 -12.213 1.00 0.00 C ATOM 214 CD1 LEU A 14 -5.131 -3.368 -10.791 1.00 0.00 C ATOM 215 CD2 LEU A 14 -3.557 -2.579 -12.573 1.00 0.00 C ATOM 0 H LEU A 14 -3.929 -7.471 -13.022 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.040 -5.970 -11.848 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.630 -5.364 -11.638 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.568 -5.026 -13.357 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.483 -3.341 -12.869 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.419 -2.328 -10.640 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.992 -4.012 -10.615 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.335 -3.629 -10.094 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.898 -1.565 -12.366 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.666 -2.790 -11.982 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.320 -2.673 -13.633 1.00 0.00 H new ATOM 227 N ILE A 15 -7.117 -4.635 -13.715 1.00 0.00 N ATOM 228 CA ILE A 15 -7.779 -3.946 -14.786 1.00 0.00 C ATOM 229 C ILE A 15 -7.288 -2.495 -14.735 1.00 0.00 C ATOM 230 O ILE A 15 -6.603 -2.030 -15.641 1.00 0.00 O ATOM 231 CB ILE A 15 -9.327 -3.973 -14.628 1.00 0.00 C ATOM 232 CG1 ILE A 15 -9.839 -5.424 -14.536 1.00 0.00 C ATOM 233 CG2 ILE A 15 -10.003 -3.234 -15.789 1.00 0.00 C ATOM 234 CD1 ILE A 15 -11.329 -5.542 -14.316 1.00 0.00 C ATOM 0 H ILE A 15 -7.471 -4.409 -12.786 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.549 -4.430 -15.735 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.584 -3.460 -13.701 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.576 -5.949 -15.454 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.321 -5.929 -13.720 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -11.085 -3.265 -15.659 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.669 -2.197 -15.804 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.737 -3.715 -16.730 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.607 -6.595 -14.263 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.599 -5.048 -13.383 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.858 -5.069 -15.143 1.00 0.00 H new ATOM 246 N LYS A 16 -7.549 -1.823 -13.606 1.00 0.00 N ATOM 247 CA LYS A 16 -7.121 -0.441 -13.387 1.00 0.00 C ATOM 248 C LYS A 16 -6.943 -0.170 -11.906 1.00 0.00 C ATOM 249 O LYS A 16 -7.607 -0.779 -11.076 1.00 0.00 O ATOM 250 CB LYS A 16 -8.137 0.572 -13.955 1.00 0.00 C ATOM 251 CG LYS A 16 -8.074 0.800 -15.457 1.00 0.00 C ATOM 252 CD LYS A 16 -9.152 1.774 -15.906 1.00 0.00 C ATOM 253 CE LYS A 16 -8.952 2.228 -17.344 1.00 0.00 C ATOM 254 NZ LYS A 16 -8.924 1.111 -18.312 1.00 0.00 N ATOM 0 H LYS A 16 -8.062 -2.224 -12.821 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.172 -0.317 -13.909 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.141 0.233 -13.700 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.987 1.529 -13.455 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.092 1.188 -15.729 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.197 -0.149 -15.978 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.130 1.302 -15.808 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.151 2.643 -15.249 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.754 2.915 -17.616 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.018 2.785 -17.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.870 1.491 -19.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.093 0.513 -18.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.789 0.542 -18.211 1.00 0.00 H new ATOM 268 N ALA A 17 -6.042 0.721 -11.578 1.00 0.00 N ATOM 269 CA ALA A 17 -5.859 1.154 -10.207 1.00 0.00 C ATOM 270 C ALA A 17 -6.802 2.311 -9.970 1.00 0.00 C ATOM 271 O ALA A 17 -6.925 3.190 -10.829 1.00 0.00 O ATOM 272 CB ALA A 17 -4.415 1.577 -9.962 1.00 0.00 C ATOM 0 H ALA A 17 -5.415 1.168 -12.247 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.075 0.338 -9.518 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.301 1.898 -8.927 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.751 0.735 -10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.159 2.401 -10.628 1.00 0.00 H new ATOM 278 N ILE A 18 -7.468 2.320 -8.854 1.00 0.00 N ATOM 279 CA ILE A 18 -8.459 3.332 -8.581 1.00 0.00 C ATOM 280 C ILE A 18 -7.795 4.509 -7.888 1.00 0.00 C ATOM 281 O ILE A 18 -7.726 5.611 -8.449 1.00 0.00 O ATOM 282 CB ILE A 18 -9.607 2.751 -7.705 1.00 0.00 C ATOM 283 CG1 ILE A 18 -10.305 1.566 -8.405 1.00 0.00 C ATOM 284 CG2 ILE A 18 -10.614 3.816 -7.293 1.00 0.00 C ATOM 285 CD1 ILE A 18 -10.910 1.896 -9.755 1.00 0.00 C ATOM 0 H ILE A 18 -7.345 1.634 -8.109 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.897 3.671 -9.520 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.146 2.377 -6.791 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.582 0.760 -8.533 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.092 1.188 -7.752 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.395 3.362 -6.684 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.109 4.591 -6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -11.060 4.259 -8.184 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.378 1.004 -10.172 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.660 2.678 -9.636 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.127 2.244 -10.429 1.00 0.00 H new ATOM 297 N ASP A 19 -7.246 4.251 -6.720 1.00 0.00 N ATOM 298 CA ASP A 19 -6.529 5.251 -5.943 1.00 0.00 C ATOM 299 C ASP A 19 -5.821 4.595 -4.802 1.00 0.00 C ATOM 300 O ASP A 19 -6.430 3.891 -4.011 1.00 0.00 O ATOM 301 CB ASP A 19 -7.390 6.463 -5.458 1.00 0.00 C ATOM 302 CG ASP A 19 -8.445 6.197 -4.376 1.00 0.00 C ATOM 303 OD1 ASP A 19 -9.605 5.858 -4.724 1.00 0.00 O ATOM 304 OD2 ASP A 19 -8.173 6.441 -3.175 1.00 0.00 O ATOM 0 H ASP A 19 -7.283 3.334 -6.275 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.807 5.696 -6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.711 7.229 -5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.898 6.883 -6.326 1.00 0.00 H new ATOM 309 N GLY A 20 -4.525 4.799 -4.767 1.00 0.00 N ATOM 310 CA GLY A 20 -3.657 4.212 -3.767 1.00 0.00 C ATOM 311 C GLY A 20 -3.799 2.711 -3.626 1.00 0.00 C ATOM 312 O GLY A 20 -3.437 1.963 -4.527 1.00 0.00 O ATOM 0 H GLY A 20 -4.034 5.386 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.622 4.446 -4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.865 4.677 -2.803 1.00 0.00 H new ATOM 316 N ASP A 21 -4.361 2.291 -2.517 1.00 0.00 N ATOM 317 CA ASP A 21 -4.522 0.874 -2.202 1.00 0.00 C ATOM 318 C ASP A 21 -5.754 0.302 -2.893 1.00 0.00 C ATOM 319 O ASP A 21 -5.939 -0.911 -2.960 1.00 0.00 O ATOM 320 CB ASP A 21 -4.574 0.616 -0.666 1.00 0.00 C ATOM 321 CG ASP A 21 -5.801 1.170 0.039 1.00 0.00 C ATOM 322 OD1 ASP A 21 -5.792 2.369 0.428 1.00 0.00 O ATOM 323 OD2 ASP A 21 -6.761 0.415 0.243 1.00 0.00 O ATOM 0 H ASP A 21 -4.724 2.918 -1.799 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.641 0.357 -2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.528 -0.459 -0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.685 1.051 -0.210 1.00 0.00 H new ATOM 328 N THR A 22 -6.573 1.178 -3.449 1.00 0.00 N ATOM 329 CA THR A 22 -7.753 0.753 -4.136 1.00 0.00 C ATOM 330 C THR A 22 -7.435 0.439 -5.585 1.00 0.00 C ATOM 331 O THR A 22 -6.950 1.302 -6.341 1.00 0.00 O ATOM 332 CB THR A 22 -8.824 1.843 -4.088 1.00 0.00 C ATOM 333 OG1 THR A 22 -8.909 2.294 -2.764 1.00 0.00 O ATOM 334 CG2 THR A 22 -10.184 1.290 -4.499 1.00 0.00 C ATOM 0 H THR A 22 -6.431 2.188 -3.431 1.00 0.00 H new ATOM 0 HA THR A 22 -8.126 -0.143 -3.641 1.00 0.00 H new ATOM 0 HB THR A 22 -8.555 2.646 -4.774 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.378 1.709 -2.184 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.928 2.085 -4.456 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.126 0.901 -5.516 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.471 0.488 -3.819 1.00 0.00 H new ATOM 342 N VAL A 23 -7.724 -0.766 -5.979 1.00 0.00 N ATOM 343 CA VAL A 23 -7.520 -1.206 -7.329 1.00 0.00 C ATOM 344 C VAL A 23 -8.741 -1.954 -7.780 1.00 0.00 C ATOM 345 O VAL A 23 -9.544 -2.397 -6.955 1.00 0.00 O ATOM 346 CB VAL A 23 -6.265 -2.122 -7.501 1.00 0.00 C ATOM 347 CG1 VAL A 23 -4.984 -1.391 -7.142 1.00 0.00 C ATOM 348 CG2 VAL A 23 -6.394 -3.402 -6.689 1.00 0.00 C ATOM 0 H VAL A 23 -8.113 -1.481 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.345 -0.317 -7.936 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.213 -2.393 -8.555 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.134 -2.060 -7.274 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.867 -0.523 -7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.030 -1.064 -6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.504 -4.015 -6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.498 -3.154 -5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.273 -3.956 -7.020 1.00 0.00 H new ATOM 358 N LYS A 24 -8.901 -2.074 -9.050 1.00 0.00 N ATOM 359 CA LYS A 24 -9.980 -2.808 -9.591 1.00 0.00 C ATOM 360 C LYS A 24 -9.395 -3.832 -10.505 1.00 0.00 C ATOM 361 O LYS A 24 -8.724 -3.501 -11.497 1.00 0.00 O ATOM 362 CB LYS A 24 -10.926 -1.889 -10.320 1.00 0.00 C ATOM 363 CG LYS A 24 -12.244 -2.527 -10.694 1.00 0.00 C ATOM 364 CD LYS A 24 -13.223 -1.495 -11.254 1.00 0.00 C ATOM 365 CE LYS A 24 -12.679 -0.778 -12.487 1.00 0.00 C ATOM 366 NZ LYS A 24 -13.593 0.281 -12.959 1.00 0.00 N ATOM 0 H LYS A 24 -8.280 -1.661 -9.745 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.560 -3.295 -8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.121 -1.017 -9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.439 -1.529 -11.226 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.075 -3.309 -11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.680 -3.006 -9.817 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.160 -1.990 -11.510 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.451 -0.760 -10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.708 -0.341 -12.254 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.519 -1.502 -13.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.186 0.743 -13.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.512 -0.138 -13.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.726 0.986 -12.206 1.00 0.00 H new ATOM 380 N LEU A 25 -9.596 -5.049 -10.172 1.00 0.00 N ATOM 381 CA LEU A 25 -8.988 -6.107 -10.876 1.00 0.00 C ATOM 382 C LEU A 25 -9.984 -7.177 -11.247 1.00 0.00 C ATOM 383 O LEU A 25 -11.125 -7.177 -10.776 1.00 0.00 O ATOM 384 CB LEU A 25 -7.778 -6.649 -10.072 1.00 0.00 C ATOM 385 CG LEU A 25 -7.988 -7.014 -8.589 1.00 0.00 C ATOM 386 CD1 LEU A 25 -8.873 -8.231 -8.418 1.00 0.00 C ATOM 387 CD2 LEU A 25 -6.650 -7.215 -7.900 1.00 0.00 C ATOM 0 H LEU A 25 -10.192 -5.341 -9.397 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.605 -5.729 -11.824 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.411 -7.538 -10.584 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.985 -5.902 -10.121 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.505 -6.179 -8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.991 -8.449 -7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.850 -8.035 -8.859 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.415 -9.086 -8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.815 -7.472 -6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.106 -8.022 -8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.068 -6.295 -7.960 1.00 0.00 H new ATOM 399 N MET A 26 -9.567 -8.058 -12.092 1.00 0.00 N ATOM 400 CA MET A 26 -10.377 -9.146 -12.501 1.00 0.00 C ATOM 401 C MET A 26 -10.092 -10.290 -11.559 1.00 0.00 C ATOM 402 O MET A 26 -8.979 -10.851 -11.554 1.00 0.00 O ATOM 403 CB MET A 26 -10.073 -9.561 -13.939 1.00 0.00 C ATOM 404 CG MET A 26 -11.063 -10.585 -14.480 1.00 0.00 C ATOM 405 SD MET A 26 -10.828 -10.974 -16.231 1.00 0.00 S ATOM 406 CE MET A 26 -9.163 -11.649 -16.229 1.00 0.00 C ATOM 0 H MET A 26 -8.642 -8.039 -12.521 1.00 0.00 H new ATOM 0 HA MET A 26 -11.428 -8.859 -12.470 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.086 -8.678 -14.578 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.066 -9.975 -13.988 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.976 -11.503 -13.899 1.00 0.00 H new ATOM 0 HG3 MET A 26 -12.076 -10.210 -14.334 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.962 -12.125 -17.189 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.445 -10.846 -16.065 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.070 -12.387 -15.432 1.00 0.00 H new ATOM 416 N TYR A 27 -11.045 -10.592 -10.750 1.00 0.00 N ATOM 417 CA TYR A 27 -10.939 -11.616 -9.762 1.00 0.00 C ATOM 418 C TYR A 27 -11.870 -12.754 -10.121 1.00 0.00 C ATOM 419 O TYR A 27 -13.084 -12.573 -10.157 1.00 0.00 O ATOM 420 CB TYR A 27 -11.289 -11.024 -8.393 1.00 0.00 C ATOM 421 CG TYR A 27 -11.247 -12.006 -7.259 1.00 0.00 C ATOM 422 CD1 TYR A 27 -10.062 -12.614 -6.895 1.00 0.00 C ATOM 423 CD2 TYR A 27 -12.394 -12.322 -6.551 1.00 0.00 C ATOM 424 CE1 TYR A 27 -10.020 -13.511 -5.864 1.00 0.00 C ATOM 425 CE2 TYR A 27 -12.361 -13.218 -5.512 1.00 0.00 C ATOM 426 CZ TYR A 27 -11.172 -13.811 -5.173 1.00 0.00 C ATOM 427 OH TYR A 27 -11.134 -14.718 -4.141 1.00 0.00 O ATOM 0 H TYR A 27 -11.950 -10.121 -10.755 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.922 -12.006 -9.722 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.598 -10.209 -8.177 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.288 -10.590 -8.444 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.155 -12.378 -7.432 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.330 -11.856 -6.821 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.087 -13.982 -5.593 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.263 -13.454 -4.967 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.796 -14.280 -3.332 1.00 0.00 H new ATOM 437 N LYS A 28 -11.286 -13.902 -10.449 1.00 0.00 N ATOM 438 CA LYS A 28 -12.018 -15.123 -10.820 1.00 0.00 C ATOM 439 C LYS A 28 -12.978 -14.871 -11.983 1.00 0.00 C ATOM 440 O LYS A 28 -14.045 -15.480 -12.081 1.00 0.00 O ATOM 441 CB LYS A 28 -12.747 -15.726 -9.609 1.00 0.00 C ATOM 442 CG LYS A 28 -11.819 -16.125 -8.476 1.00 0.00 C ATOM 443 CD LYS A 28 -12.569 -16.843 -7.374 1.00 0.00 C ATOM 444 CE LYS A 28 -11.659 -17.200 -6.201 1.00 0.00 C ATOM 445 NZ LYS A 28 -10.547 -18.104 -6.569 1.00 0.00 N ATOM 0 H LYS A 28 -10.273 -14.019 -10.467 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.284 -15.854 -11.159 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.472 -15.003 -9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.308 -16.602 -9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.029 -16.770 -8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.335 -15.237 -8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.385 -16.213 -7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.018 -17.752 -7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.247 -16.283 -5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.255 -17.670 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.105 -18.480 -5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.914 -18.891 -7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.839 -17.577 -7.119 1.00 0.00 H new ATOM 459 N GLY A 29 -12.548 -14.010 -12.885 1.00 0.00 N ATOM 460 CA GLY A 29 -13.326 -13.693 -14.055 1.00 0.00 C ATOM 461 C GLY A 29 -14.227 -12.468 -13.905 1.00 0.00 C ATOM 462 O GLY A 29 -14.740 -11.957 -14.910 1.00 0.00 O ATOM 0 H GLY A 29 -11.657 -13.517 -12.824 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.648 -13.529 -14.893 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -13.944 -14.554 -14.309 1.00 0.00 H new ATOM 466 N GLN A 30 -14.414 -11.970 -12.698 1.00 0.00 N ATOM 467 CA GLN A 30 -15.284 -10.809 -12.512 1.00 0.00 C ATOM 468 C GLN A 30 -14.513 -9.565 -12.027 1.00 0.00 C ATOM 469 O GLN A 30 -13.562 -9.684 -11.257 1.00 0.00 O ATOM 470 CB GLN A 30 -16.537 -11.160 -11.643 1.00 0.00 C ATOM 471 CG GLN A 30 -16.276 -11.750 -10.246 1.00 0.00 C ATOM 472 CD GLN A 30 -15.833 -10.728 -9.211 1.00 0.00 C ATOM 473 OE1 GLN A 30 -16.206 -9.562 -9.268 1.00 0.00 O ATOM 474 NE2 GLN A 30 -15.056 -11.157 -8.258 1.00 0.00 N ATOM 0 H GLN A 30 -13.990 -12.335 -11.845 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.672 -10.530 -13.492 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -17.130 -10.253 -11.522 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -17.148 -11.869 -12.201 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -17.185 -12.237 -9.894 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.512 -12.523 -10.327 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -14.763 -12.134 -8.239 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -14.740 -10.516 -7.530 1.00 0.00 H new ATOM 483 N PRO A 31 -14.851 -8.370 -12.557 1.00 0.00 N ATOM 484 CA PRO A 31 -14.219 -7.115 -12.141 1.00 0.00 C ATOM 485 C PRO A 31 -14.636 -6.707 -10.721 1.00 0.00 C ATOM 486 O PRO A 31 -15.818 -6.396 -10.450 1.00 0.00 O ATOM 487 CB PRO A 31 -14.713 -6.088 -13.169 1.00 0.00 C ATOM 488 CG PRO A 31 -15.973 -6.659 -13.720 1.00 0.00 C ATOM 489 CD PRO A 31 -15.853 -8.157 -13.618 1.00 0.00 C ATOM 0 HA PRO A 31 -13.133 -7.198 -12.111 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.891 -5.119 -12.703 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.975 -5.932 -13.956 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.837 -6.301 -13.160 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -16.116 -6.352 -14.756 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.808 -8.616 -13.362 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.532 -8.596 -14.563 1.00 0.00 H new ATOM 497 N MET A 32 -13.684 -6.711 -9.827 1.00 0.00 N ATOM 498 CA MET A 32 -13.922 -6.441 -8.453 1.00 0.00 C ATOM 499 C MET A 32 -12.951 -5.370 -7.957 1.00 0.00 C ATOM 500 O MET A 32 -11.782 -5.355 -8.349 1.00 0.00 O ATOM 501 CB MET A 32 -13.749 -7.746 -7.685 1.00 0.00 C ATOM 502 CG MET A 32 -14.057 -7.656 -6.225 1.00 0.00 C ATOM 503 SD MET A 32 -13.983 -9.267 -5.413 1.00 0.00 S ATOM 504 CE MET A 32 -14.321 -8.792 -3.725 1.00 0.00 C ATOM 0 H MET A 32 -12.707 -6.907 -10.047 1.00 0.00 H new ATOM 0 HA MET A 32 -14.932 -6.060 -8.300 1.00 0.00 H new ATOM 0 HB2 MET A 32 -14.393 -8.503 -8.132 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.722 -8.089 -7.805 1.00 0.00 H new ATOM 0 HG2 MET A 32 -13.350 -6.977 -5.747 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.051 -7.228 -6.090 1.00 0.00 H new ATOM 0 HE1 MET A 32 -13.988 -9.582 -3.051 1.00 0.00 H new ATOM 0 HE2 MET A 32 -13.789 -7.869 -3.493 1.00 0.00 H new ATOM 0 HE3 MET A 32 -15.392 -8.635 -3.599 1.00 0.00 H new ATOM 514 N THR A 33 -13.442 -4.464 -7.139 1.00 0.00 N ATOM 515 CA THR A 33 -12.633 -3.405 -6.593 1.00 0.00 C ATOM 516 C THR A 33 -12.178 -3.788 -5.186 1.00 0.00 C ATOM 517 O THR A 33 -12.933 -4.383 -4.414 1.00 0.00 O ATOM 518 CB THR A 33 -13.449 -2.108 -6.541 1.00 0.00 C ATOM 519 OG1 THR A 33 -14.152 -1.983 -7.788 1.00 0.00 O ATOM 520 CG2 THR A 33 -12.533 -0.904 -6.385 1.00 0.00 C ATOM 0 H THR A 33 -14.416 -4.444 -6.836 1.00 0.00 H new ATOM 0 HA THR A 33 -11.759 -3.251 -7.225 1.00 0.00 H new ATOM 0 HB THR A 33 -14.133 -2.143 -5.693 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.685 -1.161 -7.782 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.131 0.006 -6.350 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.962 -0.998 -5.461 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.848 -0.856 -7.232 1.00 0.00 H new ATOM 528 N PHE A 34 -10.955 -3.499 -4.888 1.00 0.00 N ATOM 529 CA PHE A 34 -10.362 -3.801 -3.597 1.00 0.00 C ATOM 530 C PHE A 34 -9.842 -2.541 -2.945 1.00 0.00 C ATOM 531 O PHE A 34 -9.240 -1.721 -3.618 1.00 0.00 O ATOM 532 CB PHE A 34 -9.200 -4.799 -3.755 1.00 0.00 C ATOM 533 CG PHE A 34 -9.607 -6.214 -4.062 1.00 0.00 C ATOM 534 CD1 PHE A 34 -10.159 -6.559 -5.282 1.00 0.00 C ATOM 535 CD2 PHE A 34 -9.428 -7.204 -3.118 1.00 0.00 C ATOM 536 CE1 PHE A 34 -10.524 -7.858 -5.546 1.00 0.00 C ATOM 537 CE2 PHE A 34 -9.790 -8.502 -3.381 1.00 0.00 C ATOM 538 CZ PHE A 34 -10.339 -8.830 -4.597 1.00 0.00 C ATOM 0 H PHE A 34 -10.316 -3.038 -5.536 1.00 0.00 H new ATOM 0 HA PHE A 34 -11.136 -4.242 -2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.545 -4.446 -4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.614 -4.798 -2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.305 -5.800 -6.036 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.997 -6.955 -2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.957 -8.113 -6.502 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.643 -9.266 -2.632 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.624 -9.851 -4.805 1.00 0.00 H new ATOM 548 N ARG A 35 -10.128 -2.378 -1.664 1.00 0.00 N ATOM 549 CA ARG A 35 -9.575 -1.306 -0.849 1.00 0.00 C ATOM 550 C ARG A 35 -9.424 -1.848 0.532 1.00 0.00 C ATOM 551 O ARG A 35 -10.296 -2.582 1.004 1.00 0.00 O ATOM 552 CB ARG A 35 -10.431 -0.006 -0.826 1.00 0.00 C ATOM 553 CG ARG A 35 -9.782 1.115 0.015 1.00 0.00 C ATOM 554 CD ARG A 35 -10.455 2.476 -0.144 1.00 0.00 C ATOM 555 NE ARG A 35 -9.695 3.551 0.554 1.00 0.00 N ATOM 556 CZ ARG A 35 -9.022 4.570 -0.059 1.00 0.00 C ATOM 557 NH1 ARG A 35 -8.874 4.580 -1.378 1.00 0.00 N ATOM 558 NH2 ARG A 35 -8.452 5.536 0.668 1.00 0.00 N ATOM 0 H ARG A 35 -10.760 -2.995 -1.153 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.624 -1.002 -1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.576 0.348 -1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.418 -0.232 -0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.808 0.828 1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.732 1.205 -0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.539 2.719 -1.203 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.469 2.430 0.254 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.676 3.524 1.573 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.264 3.824 -1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.370 5.344 -1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.518 5.515 1.686 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.951 6.294 0.205 1.00 0.00 H new ATOM 572 N LEU A 36 -8.351 -1.526 1.167 1.00 0.00 N ATOM 573 CA LEU A 36 -8.074 -2.024 2.472 1.00 0.00 C ATOM 574 C LEU A 36 -8.649 -1.129 3.524 1.00 0.00 C ATOM 575 O LEU A 36 -9.091 -0.024 3.250 1.00 0.00 O ATOM 576 CB LEU A 36 -6.563 -2.203 2.710 1.00 0.00 C ATOM 577 CG LEU A 36 -5.884 -3.423 2.075 1.00 0.00 C ATOM 578 CD1 LEU A 36 -6.508 -4.709 2.593 1.00 0.00 C ATOM 579 CD2 LEU A 36 -5.910 -3.367 0.547 1.00 0.00 C ATOM 0 H LEU A 36 -7.634 -0.904 0.793 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.548 -3.003 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.057 -1.309 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.395 -2.247 3.786 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.835 -3.406 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.014 -5.564 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.389 -4.761 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.569 -4.725 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.418 -4.251 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.943 -3.337 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.387 -2.473 0.207 1.00 0.00 H new ATOM 591 N LEU A 37 -8.682 -1.628 4.726 1.00 0.00 N ATOM 592 CA LEU A 37 -9.105 -0.830 5.833 1.00 0.00 C ATOM 593 C LEU A 37 -7.993 -0.818 6.890 1.00 0.00 C ATOM 594 O LEU A 37 -8.106 -0.208 7.928 1.00 0.00 O ATOM 595 CB LEU A 37 -10.461 -1.327 6.369 1.00 0.00 C ATOM 596 CG LEU A 37 -11.199 -0.399 7.349 1.00 0.00 C ATOM 597 CD1 LEU A 37 -11.380 0.990 6.745 1.00 0.00 C ATOM 598 CD2 LEU A 37 -12.558 -0.978 7.694 1.00 0.00 C ATOM 0 H LEU A 37 -8.420 -2.585 4.962 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.271 0.202 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.116 -1.513 5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.301 -2.285 6.863 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.598 -0.315 8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.904 1.630 7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.403 1.420 6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.962 0.914 5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.071 -0.313 8.388 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.151 -1.081 6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.430 -1.956 8.157 1.00 0.00 H new ATOM 610 N LEU A 38 -6.887 -1.508 6.578 1.00 0.00 N ATOM 611 CA LEU A 38 -5.701 -1.463 7.440 1.00 0.00 C ATOM 612 C LEU A 38 -4.944 -0.193 7.124 1.00 0.00 C ATOM 613 O LEU A 38 -4.291 0.382 7.973 1.00 0.00 O ATOM 614 CB LEU A 38 -4.740 -2.689 7.256 1.00 0.00 C ATOM 615 CG LEU A 38 -5.157 -4.070 7.828 1.00 0.00 C ATOM 616 CD1 LEU A 38 -5.380 -4.011 9.318 1.00 0.00 C ATOM 617 CD2 LEU A 38 -6.363 -4.641 7.124 1.00 0.00 C ATOM 0 H LEU A 38 -6.790 -2.094 5.749 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.046 -1.494 8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.569 -2.815 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.782 -2.425 7.703 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.323 -4.746 7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.671 -4.997 9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.460 -3.699 9.812 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.171 -3.295 9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.615 -5.607 7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.207 -3.960 7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.140 -4.768 6.065 1.00 0.00 H new ATOM 629 N VAL A 39 -5.073 0.252 5.888 1.00 0.00 N ATOM 630 CA VAL A 39 -4.407 1.438 5.413 1.00 0.00 C ATOM 631 C VAL A 39 -5.385 2.286 4.657 1.00 0.00 C ATOM 632 O VAL A 39 -6.413 1.790 4.191 1.00 0.00 O ATOM 633 CB VAL A 39 -3.177 1.136 4.487 1.00 0.00 C ATOM 634 CG1 VAL A 39 -2.094 0.407 5.249 1.00 0.00 C ATOM 635 CG2 VAL A 39 -3.578 0.348 3.224 1.00 0.00 C ATOM 0 H VAL A 39 -5.650 -0.208 5.183 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.026 1.956 6.293 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.784 2.097 4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.252 0.209 4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.760 1.022 6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.487 -0.537 5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.693 0.163 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.024 -0.603 3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.301 0.926 2.648 1.00 0.00 H new ATOM 645 N ASP A 40 -5.099 3.540 4.588 1.00 0.00 N ATOM 646 CA ASP A 40 -5.872 4.472 3.811 1.00 0.00 C ATOM 647 C ASP A 40 -4.914 5.280 3.001 1.00 0.00 C ATOM 648 O ASP A 40 -3.932 5.843 3.558 1.00 0.00 O ATOM 649 CB ASP A 40 -6.747 5.376 4.704 1.00 0.00 C ATOM 650 CG ASP A 40 -7.491 6.454 3.932 1.00 0.00 C ATOM 651 OD1 ASP A 40 -8.515 6.151 3.290 1.00 0.00 O ATOM 652 OD2 ASP A 40 -7.072 7.636 3.972 1.00 0.00 O ATOM 0 H ASP A 40 -4.309 3.963 5.075 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.561 3.932 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.470 4.757 5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.117 5.849 5.457 1.00 0.00 H new ATOM 657 N THR A 41 -5.115 5.269 1.720 1.00 0.00 N ATOM 658 CA THR A 41 -4.277 5.977 0.814 1.00 0.00 C ATOM 659 C THR A 41 -4.967 7.241 0.303 1.00 0.00 C ATOM 660 O THR A 41 -6.211 7.319 0.292 1.00 0.00 O ATOM 661 CB THR A 41 -3.896 5.081 -0.363 1.00 0.00 C ATOM 662 OG1 THR A 41 -5.071 4.443 -0.884 1.00 0.00 O ATOM 663 CG2 THR A 41 -2.881 4.036 0.050 1.00 0.00 C ATOM 0 H THR A 41 -5.877 4.760 1.272 1.00 0.00 H new ATOM 0 HA THR A 41 -3.374 6.270 1.349 1.00 0.00 H new ATOM 0 HB THR A 41 -3.444 5.703 -1.135 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.353 3.729 -0.275 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.630 3.414 -0.809 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.981 4.528 0.417 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.301 3.413 0.839 1.00 0.00 H new ATOM 671 N PRO A 42 -4.195 8.271 -0.073 1.00 0.00 N ATOM 672 CA PRO A 42 -4.728 9.500 -0.602 1.00 0.00 C ATOM 673 C PRO A 42 -4.804 9.515 -2.139 1.00 0.00 C ATOM 674 O PRO A 42 -3.794 9.325 -2.838 1.00 0.00 O ATOM 675 CB PRO A 42 -3.721 10.551 -0.114 1.00 0.00 C ATOM 676 CG PRO A 42 -2.536 9.783 0.418 1.00 0.00 C ATOM 677 CD PRO A 42 -2.738 8.352 0.024 1.00 0.00 C ATOM 0 HA PRO A 42 -5.754 9.667 -0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.423 11.212 -0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.159 11.179 0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.606 10.171 0.003 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.467 9.880 1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.252 8.116 -0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.339 7.663 0.768 1.00 0.00 H new ATOM 910 N GLU A 57 0.533 10.345 -5.041 1.00 0.00 N ATOM 911 CA GLU A 57 1.497 9.521 -5.725 1.00 0.00 C ATOM 912 C GLU A 57 1.097 8.047 -5.590 1.00 0.00 C ATOM 913 O GLU A 57 1.475 7.209 -6.410 1.00 0.00 O ATOM 914 CB GLU A 57 2.871 9.744 -5.092 1.00 0.00 C ATOM 915 CG GLU A 57 4.034 9.190 -5.890 1.00 0.00 C ATOM 916 CD GLU A 57 4.216 9.928 -7.186 1.00 0.00 C ATOM 917 OE1 GLU A 57 4.616 11.110 -7.156 1.00 0.00 O ATOM 918 OE2 GLU A 57 3.980 9.346 -8.258 1.00 0.00 O ATOM 0 HA GLU A 57 1.531 9.785 -6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.022 10.814 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.878 9.288 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.947 9.260 -5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.866 8.132 -6.093 1.00 0.00 H new ATOM 925 N ALA A 58 0.271 7.767 -4.581 1.00 0.00 N ATOM 926 CA ALA A 58 -0.126 6.408 -4.209 1.00 0.00 C ATOM 927 C ALA A 58 -0.722 5.624 -5.374 1.00 0.00 C ATOM 928 O ALA A 58 -0.295 4.513 -5.650 1.00 0.00 O ATOM 929 CB ALA A 58 -1.098 6.463 -3.041 1.00 0.00 C ATOM 0 H ALA A 58 -0.147 8.487 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 58 0.776 5.872 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.393 5.451 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.617 6.946 -2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.982 7.032 -3.329 1.00 0.00 H new ATOM 935 N SER A 59 -1.658 6.224 -6.071 1.00 0.00 N ATOM 936 CA SER A 59 -2.348 5.580 -7.175 1.00 0.00 C ATOM 937 C SER A 59 -1.390 5.155 -8.299 1.00 0.00 C ATOM 938 O SER A 59 -1.523 4.062 -8.864 1.00 0.00 O ATOM 939 CB SER A 59 -3.379 6.545 -7.699 1.00 0.00 C ATOM 940 OG SER A 59 -4.130 7.060 -6.614 1.00 0.00 O ATOM 0 H SER A 59 -1.968 7.179 -5.891 1.00 0.00 H new ATOM 0 HA SER A 59 -2.817 4.665 -6.813 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.893 7.358 -8.238 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.038 6.042 -8.407 1.00 0.00 H new ATOM 0 HG SER A 59 -4.916 7.535 -6.956 1.00 0.00 H new ATOM 946 N ALA A 60 -0.409 5.994 -8.580 1.00 0.00 N ATOM 947 CA ALA A 60 0.527 5.745 -9.652 1.00 0.00 C ATOM 948 C ALA A 60 1.580 4.744 -9.222 1.00 0.00 C ATOM 949 O ALA A 60 2.015 3.918 -10.016 1.00 0.00 O ATOM 950 CB ALA A 60 1.167 7.042 -10.104 1.00 0.00 C ATOM 0 H ALA A 60 -0.242 6.862 -8.072 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.017 5.319 -10.495 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.870 6.839 -10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.395 7.725 -10.458 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.698 7.497 -9.267 1.00 0.00 H new ATOM 956 N PHE A 61 1.958 4.809 -7.956 1.00 0.00 N ATOM 957 CA PHE A 61 2.946 3.906 -7.378 1.00 0.00 C ATOM 958 C PHE A 61 2.411 2.478 -7.453 1.00 0.00 C ATOM 959 O PHE A 61 3.089 1.569 -7.961 1.00 0.00 O ATOM 960 CB PHE A 61 3.173 4.297 -5.922 1.00 0.00 C ATOM 961 CG PHE A 61 4.414 3.738 -5.272 1.00 0.00 C ATOM 962 CD1 PHE A 61 4.487 2.418 -4.850 1.00 0.00 C ATOM 963 CD2 PHE A 61 5.497 4.564 -5.050 1.00 0.00 C ATOM 964 CE1 PHE A 61 5.622 1.942 -4.224 1.00 0.00 C ATOM 965 CE2 PHE A 61 6.627 4.099 -4.433 1.00 0.00 C ATOM 966 CZ PHE A 61 6.695 2.786 -4.014 1.00 0.00 C ATOM 0 H PHE A 61 1.588 5.492 -7.295 1.00 0.00 H new ATOM 0 HA PHE A 61 3.887 3.970 -7.924 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.214 5.385 -5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.308 3.977 -5.342 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.649 1.757 -5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.452 5.595 -5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.671 0.913 -3.900 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.466 4.760 -4.274 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.585 2.419 -3.523 1.00 0.00 H new ATOM 976 N THR A 62 1.190 2.305 -6.965 1.00 0.00 N ATOM 977 CA THR A 62 0.498 1.044 -7.006 1.00 0.00 C ATOM 978 C THR A 62 0.403 0.531 -8.439 1.00 0.00 C ATOM 979 O THR A 62 0.856 -0.575 -8.735 1.00 0.00 O ATOM 980 CB THR A 62 -0.919 1.224 -6.445 1.00 0.00 C ATOM 981 OG1 THR A 62 -0.845 1.659 -5.095 1.00 0.00 O ATOM 982 CG2 THR A 62 -1.732 -0.056 -6.538 1.00 0.00 C ATOM 0 H THR A 62 0.653 3.053 -6.526 1.00 0.00 H new ATOM 0 HA THR A 62 1.053 0.322 -6.407 1.00 0.00 H new ATOM 0 HB THR A 62 -1.426 1.977 -7.048 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.707 2.039 -4.826 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.728 0.115 -6.130 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.814 -0.360 -7.582 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.237 -0.843 -5.969 1.00 0.00 H new ATOM 990 N LYS A 63 -0.114 1.384 -9.321 1.00 0.00 N ATOM 991 CA LYS A 63 -0.323 1.070 -10.728 1.00 0.00 C ATOM 992 C LYS A 63 0.969 0.570 -11.372 1.00 0.00 C ATOM 993 O LYS A 63 0.984 -0.459 -12.041 1.00 0.00 O ATOM 994 CB LYS A 63 -0.841 2.327 -11.434 1.00 0.00 C ATOM 995 CG LYS A 63 -1.097 2.181 -12.916 1.00 0.00 C ATOM 996 CD LYS A 63 -1.631 3.481 -13.493 1.00 0.00 C ATOM 997 CE LYS A 63 -1.861 3.405 -14.995 1.00 0.00 C ATOM 998 NZ LYS A 63 -2.878 2.403 -15.383 1.00 0.00 N ATOM 0 H LYS A 63 -0.404 2.329 -9.071 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.058 0.270 -10.822 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.768 2.638 -10.952 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.119 3.130 -11.285 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.174 1.902 -13.425 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.813 1.378 -13.090 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.568 3.736 -12.998 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.928 4.286 -13.277 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.170 4.385 -15.358 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.919 3.165 -15.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.011 2.425 -16.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.559 1.456 -15.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.779 2.623 -14.913 1.00 0.00 H new ATOM 1012 N LYS A 64 2.033 1.279 -11.105 1.00 0.00 N ATOM 1013 CA LYS A 64 3.350 0.986 -11.615 1.00 0.00 C ATOM 1014 C LYS A 64 3.796 -0.422 -11.236 1.00 0.00 C ATOM 1015 O LYS A 64 4.178 -1.217 -12.089 1.00 0.00 O ATOM 1016 CB LYS A 64 4.300 2.009 -11.023 1.00 0.00 C ATOM 1017 CG LYS A 64 5.728 1.977 -11.514 1.00 0.00 C ATOM 1018 CD LYS A 64 6.586 2.940 -10.693 1.00 0.00 C ATOM 1019 CE LYS A 64 6.028 4.368 -10.696 1.00 0.00 C ATOM 1020 NZ LYS A 64 6.878 5.304 -9.925 1.00 0.00 N ATOM 0 H LYS A 64 2.008 2.105 -10.507 1.00 0.00 H new ATOM 0 HA LYS A 64 3.344 1.036 -12.704 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.895 3.002 -11.220 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.310 1.877 -9.941 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.126 0.965 -11.435 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.765 2.253 -12.568 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.650 2.580 -9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.600 2.948 -11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.943 4.720 -11.724 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.022 4.364 -10.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.461 6.256 -9.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.939 4.984 -8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.831 5.330 -10.340 1.00 0.00 H new ATOM 1034 N MET A 65 3.714 -0.734 -9.969 1.00 0.00 N ATOM 1035 CA MET A 65 4.190 -2.020 -9.498 1.00 0.00 C ATOM 1036 C MET A 65 3.268 -3.167 -9.851 1.00 0.00 C ATOM 1037 O MET A 65 3.726 -4.284 -10.076 1.00 0.00 O ATOM 1038 CB MET A 65 4.563 -2.025 -8.013 1.00 0.00 C ATOM 1039 CG MET A 65 3.430 -1.750 -7.030 1.00 0.00 C ATOM 1040 SD MET A 65 3.992 -1.754 -5.304 1.00 0.00 S ATOM 1041 CE MET A 65 4.600 -3.431 -5.122 1.00 0.00 C ATOM 0 H MET A 65 3.327 -0.126 -9.247 1.00 0.00 H new ATOM 0 HA MET A 65 5.116 -2.188 -10.048 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.996 -2.996 -7.773 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.342 -1.280 -7.854 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.980 -0.784 -7.260 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.652 -2.503 -7.157 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.992 -3.569 -4.114 1.00 0.00 H new ATOM 0 HE2 MET A 65 3.785 -4.134 -5.293 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.393 -3.611 -5.848 1.00 0.00 H new ATOM 1051 N VAL A 66 1.984 -2.905 -9.908 1.00 0.00 N ATOM 1052 CA VAL A 66 1.028 -3.971 -10.208 1.00 0.00 C ATOM 1053 C VAL A 66 0.959 -4.295 -11.699 1.00 0.00 C ATOM 1054 O VAL A 66 0.834 -5.454 -12.066 1.00 0.00 O ATOM 1055 CB VAL A 66 -0.405 -3.747 -9.630 1.00 0.00 C ATOM 1056 CG1 VAL A 66 -0.383 -3.703 -8.117 1.00 0.00 C ATOM 1057 CG2 VAL A 66 -1.043 -2.495 -10.175 1.00 0.00 C ATOM 0 H VAL A 66 1.572 -1.985 -9.755 1.00 0.00 H new ATOM 0 HA VAL A 66 1.434 -4.836 -9.683 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.009 -4.597 -9.948 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.395 -3.546 -7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.004 -4.646 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.257 -2.885 -7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.038 -2.378 -9.747 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.431 -1.631 -9.913 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.121 -2.569 -11.260 1.00 0.00 H new ATOM 1067 N GLU A 67 1.072 -3.286 -12.561 1.00 0.00 N ATOM 1068 CA GLU A 67 1.014 -3.533 -14.000 1.00 0.00 C ATOM 1069 C GLU A 67 2.302 -4.165 -14.491 1.00 0.00 C ATOM 1070 O GLU A 67 2.322 -4.869 -15.500 1.00 0.00 O ATOM 1071 CB GLU A 67 0.689 -2.264 -14.786 1.00 0.00 C ATOM 1072 CG GLU A 67 -0.673 -1.678 -14.445 1.00 0.00 C ATOM 1073 CD GLU A 67 -1.044 -0.463 -15.264 1.00 0.00 C ATOM 1074 OE1 GLU A 67 -0.141 0.215 -15.809 1.00 0.00 O ATOM 1075 OE2 GLU A 67 -2.258 -0.137 -15.349 1.00 0.00 O ATOM 0 H GLU A 67 1.202 -2.310 -12.296 1.00 0.00 H new ATOM 0 HA GLU A 67 0.199 -4.235 -14.176 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.458 -1.517 -14.590 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.725 -2.486 -15.853 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.433 -2.446 -14.589 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.687 -1.409 -13.389 1.00 0.00 H new ATOM 1082 N ASN A 68 3.375 -3.921 -13.774 1.00 0.00 N ATOM 1083 CA ASN A 68 4.657 -4.523 -14.105 1.00 0.00 C ATOM 1084 C ASN A 68 4.803 -5.889 -13.454 1.00 0.00 C ATOM 1085 O ASN A 68 5.770 -6.629 -13.716 1.00 0.00 O ATOM 1086 CB ASN A 68 5.822 -3.607 -13.715 1.00 0.00 C ATOM 1087 CG ASN A 68 5.969 -2.417 -14.644 1.00 0.00 C ATOM 1088 OD1 ASN A 68 5.703 -2.514 -15.844 1.00 0.00 O ATOM 1089 ND2 ASN A 68 6.341 -1.283 -14.108 1.00 0.00 N ATOM 0 H ASN A 68 3.391 -3.311 -12.957 1.00 0.00 H new ATOM 0 HA ASN A 68 4.687 -4.657 -15.186 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.673 -3.250 -12.696 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.748 -4.182 -13.719 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.418 -0.446 -14.686 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.554 -1.235 -13.112 1.00 0.00 H new ATOM 1096 N ALA A 69 3.871 -6.217 -12.592 1.00 0.00 N ATOM 1097 CA ALA A 69 3.850 -7.475 -11.927 1.00 0.00 C ATOM 1098 C ALA A 69 3.174 -8.496 -12.799 1.00 0.00 C ATOM 1099 O ALA A 69 2.220 -8.180 -13.525 1.00 0.00 O ATOM 1100 CB ALA A 69 3.102 -7.356 -10.627 1.00 0.00 C ATOM 0 H ALA A 69 3.099 -5.601 -12.337 1.00 0.00 H new ATOM 0 HA ALA A 69 4.875 -7.787 -11.725 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.090 -8.323 -10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.594 -6.621 -9.990 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.078 -7.037 -10.824 1.00 0.00 H new ATOM 1106 N LYS A 70 3.654 -9.706 -12.766 1.00 0.00 N ATOM 1107 CA LYS A 70 3.031 -10.729 -13.516 1.00 0.00 C ATOM 1108 C LYS A 70 1.922 -11.346 -12.705 1.00 0.00 C ATOM 1109 O LYS A 70 0.761 -11.355 -13.128 1.00 0.00 O ATOM 1110 CB LYS A 70 4.036 -11.780 -13.981 1.00 0.00 C ATOM 1111 CG LYS A 70 5.168 -11.235 -14.863 1.00 0.00 C ATOM 1112 CD LYS A 70 4.701 -10.433 -16.109 1.00 0.00 C ATOM 1113 CE LYS A 70 3.977 -11.266 -17.193 1.00 0.00 C ATOM 1114 NZ LYS A 70 2.602 -11.687 -16.835 1.00 0.00 N ATOM 0 H LYS A 70 4.470 -9.996 -12.228 1.00 0.00 H new ATOM 0 HA LYS A 70 2.604 -10.288 -14.417 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.474 -12.258 -13.105 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.503 -12.554 -14.533 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.806 -10.594 -14.255 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.783 -12.071 -15.197 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.034 -9.636 -15.780 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.570 -9.955 -16.561 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.936 -10.683 -18.113 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.571 -12.155 -17.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.027 -11.766 -17.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.635 -12.609 -16.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.177 -10.982 -16.200 1.00 0.00 H new ATOM 1128 N LYS A 71 2.253 -11.806 -11.532 1.00 0.00 N ATOM 1129 CA LYS A 71 1.266 -12.437 -10.699 1.00 0.00 C ATOM 1130 C LYS A 71 0.787 -11.510 -9.613 1.00 0.00 C ATOM 1131 O LYS A 71 1.529 -11.140 -8.708 1.00 0.00 O ATOM 1132 CB LYS A 71 1.692 -13.828 -10.134 1.00 0.00 C ATOM 1133 CG LYS A 71 2.918 -13.906 -9.195 1.00 0.00 C ATOM 1134 CD LYS A 71 4.254 -13.664 -9.893 1.00 0.00 C ATOM 1135 CE LYS A 71 5.421 -13.956 -8.948 1.00 0.00 C ATOM 1136 NZ LYS A 71 6.750 -13.703 -9.567 1.00 0.00 N ATOM 0 H LYS A 71 3.190 -11.758 -11.132 1.00 0.00 H new ATOM 0 HA LYS A 71 0.425 -12.651 -11.359 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.838 -14.242 -9.597 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.884 -14.484 -10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.799 -13.172 -8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.939 -14.889 -8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.328 -14.298 -10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.308 -12.631 -10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.320 -13.340 -8.054 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.369 -14.996 -8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.440 -14.390 -9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.677 -13.803 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.064 -12.739 -9.334 1.00 0.00 H new ATOM 1150 N ILE A 72 -0.423 -11.086 -9.743 1.00 0.00 N ATOM 1151 CA ILE A 72 -1.038 -10.260 -8.760 1.00 0.00 C ATOM 1152 C ILE A 72 -1.876 -11.157 -7.890 1.00 0.00 C ATOM 1153 O ILE A 72 -2.744 -11.877 -8.384 1.00 0.00 O ATOM 1154 CB ILE A 72 -1.906 -9.165 -9.418 1.00 0.00 C ATOM 1155 CG1 ILE A 72 -1.017 -8.322 -10.341 1.00 0.00 C ATOM 1156 CG2 ILE A 72 -2.575 -8.287 -8.352 1.00 0.00 C ATOM 1157 CD1 ILE A 72 -1.732 -7.214 -11.060 1.00 0.00 C ATOM 0 H ILE A 72 -1.019 -11.304 -10.541 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.282 -9.745 -8.167 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.700 -9.630 -10.002 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.209 -7.891 -9.750 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.557 -8.979 -11.079 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.181 -7.523 -8.838 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.210 -8.905 -7.718 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.809 -7.809 -7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.025 -6.672 -11.689 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.522 -7.634 -11.682 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.168 -6.530 -10.332 1.00 0.00 H new ATOM 1169 N GLU A 73 -1.585 -11.180 -6.638 1.00 0.00 N ATOM 1170 CA GLU A 73 -2.280 -12.043 -5.733 1.00 0.00 C ATOM 1171 C GLU A 73 -2.970 -11.220 -4.690 1.00 0.00 C ATOM 1172 O GLU A 73 -2.433 -10.216 -4.232 1.00 0.00 O ATOM 1173 CB GLU A 73 -1.308 -13.004 -5.059 1.00 0.00 C ATOM 1174 CG GLU A 73 -0.531 -13.896 -6.013 1.00 0.00 C ATOM 1175 CD GLU A 73 0.447 -14.776 -5.285 1.00 0.00 C ATOM 1176 OE1 GLU A 73 0.007 -15.721 -4.578 1.00 0.00 O ATOM 1177 OE2 GLU A 73 1.660 -14.553 -5.389 1.00 0.00 O ATOM 0 H GLU A 73 -0.861 -10.605 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.014 -12.622 -6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.600 -12.426 -4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.864 -13.635 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.227 -14.516 -6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.004 -13.278 -6.734 1.00 0.00 H new ATOM 1184 N VAL A 74 -4.145 -11.623 -4.332 1.00 0.00 N ATOM 1185 CA VAL A 74 -4.889 -10.964 -3.301 1.00 0.00 C ATOM 1186 C VAL A 74 -5.024 -11.925 -2.115 1.00 0.00 C ATOM 1187 O VAL A 74 -5.460 -13.065 -2.278 1.00 0.00 O ATOM 1188 CB VAL A 74 -6.292 -10.471 -3.813 1.00 0.00 C ATOM 1189 CG1 VAL A 74 -6.129 -9.488 -4.950 1.00 0.00 C ATOM 1190 CG2 VAL A 74 -7.156 -11.617 -4.289 1.00 0.00 C ATOM 0 H VAL A 74 -4.622 -12.423 -4.747 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.355 -10.067 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.781 -9.990 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.111 -9.159 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.556 -8.626 -4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.602 -9.969 -5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.115 -11.231 -4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.657 -12.133 -5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.320 -12.315 -3.468 1.00 0.00 H new ATOM 1200 N GLU A 75 -4.580 -11.518 -0.962 1.00 0.00 N ATOM 1201 CA GLU A 75 -4.645 -12.382 0.190 1.00 0.00 C ATOM 1202 C GLU A 75 -5.752 -11.940 1.135 1.00 0.00 C ATOM 1203 O GLU A 75 -5.654 -10.901 1.791 1.00 0.00 O ATOM 1204 CB GLU A 75 -3.280 -12.423 0.897 1.00 0.00 C ATOM 1205 CG GLU A 75 -3.195 -13.372 2.083 1.00 0.00 C ATOM 1206 CD GLU A 75 -1.788 -13.494 2.636 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -1.228 -12.487 3.118 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -1.212 -14.598 2.596 1.00 0.00 O ATOM 0 H GLU A 75 -4.171 -10.600 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.885 -13.393 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.520 -12.707 0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.035 -11.417 1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.862 -13.022 2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.549 -14.358 1.780 1.00 0.00 H new ATOM 1215 N PHE A 76 -6.798 -12.731 1.192 1.00 0.00 N ATOM 1216 CA PHE A 76 -7.929 -12.459 2.064 1.00 0.00 C ATOM 1217 C PHE A 76 -7.609 -12.992 3.420 1.00 0.00 C ATOM 1218 O PHE A 76 -7.170 -14.133 3.536 1.00 0.00 O ATOM 1219 CB PHE A 76 -9.202 -13.126 1.537 1.00 0.00 C ATOM 1220 CG PHE A 76 -9.639 -12.605 0.216 1.00 0.00 C ATOM 1221 CD1 PHE A 76 -10.437 -11.483 0.138 1.00 0.00 C ATOM 1222 CD2 PHE A 76 -9.255 -13.232 -0.947 1.00 0.00 C ATOM 1223 CE1 PHE A 76 -10.846 -10.997 -1.080 1.00 0.00 C ATOM 1224 CE2 PHE A 76 -9.659 -12.751 -2.162 1.00 0.00 C ATOM 1225 CZ PHE A 76 -10.457 -11.635 -2.232 1.00 0.00 C ATOM 0 H PHE A 76 -6.894 -13.582 0.638 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.105 -11.384 2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.034 -14.200 1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.005 -12.981 2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.744 -10.981 1.044 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.629 -14.111 -0.900 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.470 -10.117 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.350 -13.250 -3.069 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.778 -11.260 -3.192 1.00 0.00 H new ATOM 1235 N ASP A 77 -7.819 -12.188 4.425 1.00 0.00 N ATOM 1236 CA ASP A 77 -7.464 -12.551 5.787 1.00 0.00 C ATOM 1237 C ASP A 77 -8.637 -13.308 6.463 1.00 0.00 C ATOM 1238 O ASP A 77 -9.672 -13.546 5.842 1.00 0.00 O ATOM 1239 CB ASP A 77 -7.094 -11.268 6.576 1.00 0.00 C ATOM 1240 CG ASP A 77 -6.390 -11.538 7.901 1.00 0.00 C ATOM 1241 OD1 ASP A 77 -6.003 -12.696 8.171 1.00 0.00 O ATOM 1242 OD2 ASP A 77 -6.218 -10.614 8.689 1.00 0.00 O ATOM 0 H ASP A 77 -8.239 -11.263 4.334 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.602 -13.218 5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.451 -10.644 5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.002 -10.697 6.768 1.00 0.00 H new ATOM 1247 N LYS A 78 -8.459 -13.644 7.726 1.00 0.00 N ATOM 1248 CA LYS A 78 -9.413 -14.398 8.567 1.00 0.00 C ATOM 1249 C LYS A 78 -10.728 -13.643 8.851 1.00 0.00 C ATOM 1250 O LYS A 78 -11.655 -14.206 9.446 1.00 0.00 O ATOM 1251 CB LYS A 78 -8.731 -14.734 9.897 1.00 0.00 C ATOM 1252 CG LYS A 78 -8.142 -13.507 10.578 1.00 0.00 C ATOM 1253 CD LYS A 78 -7.442 -13.835 11.868 1.00 0.00 C ATOM 1254 CE LYS A 78 -6.799 -12.590 12.459 1.00 0.00 C ATOM 1255 NZ LYS A 78 -6.152 -12.869 13.748 1.00 0.00 N ATOM 0 H LYS A 78 -7.610 -13.394 8.232 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.687 -15.295 8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.454 -15.203 10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.940 -15.463 9.722 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.438 -13.024 9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.938 -12.789 10.775 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.154 -14.255 12.578 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.681 -14.595 11.692 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.061 -12.195 11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.557 -11.818 12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.726 -11.996 14.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.860 -13.222 14.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.411 -13.587 13.616 1.00 0.00 H new ATOM 1269 N GLY A 79 -10.797 -12.389 8.458 1.00 0.00 N ATOM 1270 CA GLY A 79 -11.991 -11.619 8.693 1.00 0.00 C ATOM 1271 C GLY A 79 -12.899 -11.611 7.490 1.00 0.00 C ATOM 1272 O GLY A 79 -13.058 -12.641 6.815 1.00 0.00 O ATOM 0 H GLY A 79 -10.047 -11.889 7.980 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.526 -12.030 9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.718 -10.595 8.949 1.00 0.00 H new ATOM 1276 N GLN A 80 -13.465 -10.465 7.186 1.00 0.00 N ATOM 1277 CA GLN A 80 -14.381 -10.339 6.067 1.00 0.00 C ATOM 1278 C GLN A 80 -13.630 -10.388 4.773 1.00 0.00 C ATOM 1279 O GLN A 80 -12.417 -10.177 4.727 1.00 0.00 O ATOM 1280 CB GLN A 80 -15.180 -9.043 6.122 1.00 0.00 C ATOM 1281 CG GLN A 80 -16.089 -8.920 7.313 1.00 0.00 C ATOM 1282 CD GLN A 80 -16.847 -7.595 7.362 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -16.278 -6.554 6.786 1.00 0.00 O flip ATOM 1284 NE2 GLN A 80 -17.956 -7.520 7.899 1.00 0.00 N flip ATOM 0 H GLN A 80 -13.308 -9.598 7.701 1.00 0.00 H new ATOM 0 HA GLN A 80 -15.077 -11.175 6.133 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.486 -8.203 6.123 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -15.778 -8.961 5.215 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -16.806 -9.740 7.300 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -15.499 -9.027 8.224 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -18.368 -8.345 8.336 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -18.460 -6.633 7.906 1.00 0.00 H new ATOM 1293 N ARG A 81 -14.344 -10.641 3.743 1.00 0.00 N ATOM 1294 CA ARG A 81 -13.765 -10.728 2.427 1.00 0.00 C ATOM 1295 C ARG A 81 -13.983 -9.408 1.689 1.00 0.00 C ATOM 1296 O ARG A 81 -13.238 -9.049 0.780 1.00 0.00 O ATOM 1297 CB ARG A 81 -14.373 -11.922 1.671 1.00 0.00 C ATOM 1298 CG ARG A 81 -13.844 -12.130 0.280 1.00 0.00 C ATOM 1299 CD ARG A 81 -14.331 -13.437 -0.295 1.00 0.00 C ATOM 1300 NE ARG A 81 -15.798 -13.504 -0.384 1.00 0.00 N ATOM 1301 CZ ARG A 81 -16.496 -13.623 -1.530 1.00 0.00 C ATOM 1302 NH1 ARG A 81 -15.866 -13.703 -2.701 1.00 0.00 N ATOM 1303 NH2 ARG A 81 -17.822 -13.675 -1.500 1.00 0.00 N ATOM 0 H ARG A 81 -15.352 -10.797 3.772 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.690 -10.897 2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.195 -12.828 2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.453 -11.786 1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.161 -11.307 -0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.754 -12.120 0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.904 -13.574 -1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.970 -14.259 0.324 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.326 -13.457 0.487 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.847 -13.674 -2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.403 -13.793 -3.564 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.314 -13.625 -0.608 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.349 -13.765 -2.369 1.00 0.00 H new ATOM 1317 N THR A 82 -14.988 -8.686 2.114 1.00 0.00 N ATOM 1318 CA THR A 82 -15.344 -7.410 1.547 1.00 0.00 C ATOM 1319 C THR A 82 -15.675 -6.439 2.658 1.00 0.00 C ATOM 1320 O THR A 82 -16.027 -6.857 3.772 1.00 0.00 O ATOM 1321 CB THR A 82 -16.576 -7.548 0.617 1.00 0.00 C ATOM 1322 OG1 THR A 82 -17.607 -8.303 1.288 1.00 0.00 O ATOM 1323 CG2 THR A 82 -16.218 -8.232 -0.692 1.00 0.00 C ATOM 0 H THR A 82 -15.595 -8.975 2.881 1.00 0.00 H new ATOM 0 HA THR A 82 -14.499 -7.043 0.965 1.00 0.00 H new ATOM 0 HB THR A 82 -16.935 -6.545 0.386 1.00 0.00 H new ATOM 0 HG1 THR A 82 -18.386 -8.388 0.699 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.108 -8.310 -1.317 1.00 0.00 H new ATOM 0 HG22 THR A 82 -15.459 -7.647 -1.212 1.00 0.00 H new ATOM 0 HG23 THR A 82 -15.830 -9.230 -0.487 1.00 0.00 H new ATOM 1331 N ASP A 83 -15.525 -5.176 2.386 1.00 0.00 N ATOM 1332 CA ASP A 83 -15.895 -4.144 3.321 1.00 0.00 C ATOM 1333 C ASP A 83 -17.394 -3.843 3.134 1.00 0.00 C ATOM 1334 O ASP A 83 -18.022 -4.385 2.211 1.00 0.00 O ATOM 1335 CB ASP A 83 -15.045 -2.875 3.087 1.00 0.00 C ATOM 1336 CG ASP A 83 -15.699 -1.835 2.219 1.00 0.00 C ATOM 1337 OD1 ASP A 83 -15.815 -2.031 1.019 1.00 0.00 O ATOM 1338 OD2 ASP A 83 -16.108 -0.789 2.736 1.00 0.00 O ATOM 0 H ASP A 83 -15.142 -4.827 1.508 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.711 -4.477 4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -14.810 -2.428 4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -14.098 -3.166 2.632 1.00 0.00 H new ATOM 1343 N LYS A 84 -17.952 -2.986 3.979 1.00 0.00 N ATOM 1344 CA LYS A 84 -19.381 -2.631 3.913 1.00 0.00 C ATOM 1345 C LYS A 84 -19.772 -1.967 2.591 1.00 0.00 C ATOM 1346 O LYS A 84 -20.912 -2.105 2.136 1.00 0.00 O ATOM 1347 CB LYS A 84 -19.773 -1.699 5.060 1.00 0.00 C ATOM 1348 CG LYS A 84 -19.673 -2.316 6.443 1.00 0.00 C ATOM 1349 CD LYS A 84 -20.089 -1.328 7.534 1.00 0.00 C ATOM 1350 CE LYS A 84 -19.165 -0.111 7.585 1.00 0.00 C ATOM 1351 NZ LYS A 84 -19.556 0.834 8.646 1.00 0.00 N ATOM 0 H LYS A 84 -17.441 -2.516 4.726 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.919 -3.575 3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -19.137 -0.815 5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -20.797 -1.361 4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -20.306 -3.202 6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -18.649 -2.646 6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -21.113 -0.999 7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -20.081 -1.831 8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.140 -0.441 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -19.182 0.398 6.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.904 1.644 8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -20.525 1.169 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.515 0.356 9.569 1.00 0.00 H new ATOM 1365 N TYR A 85 -18.848 -1.259 1.974 1.00 0.00 N ATOM 1366 CA TYR A 85 -19.144 -0.570 0.733 1.00 0.00 C ATOM 1367 C TYR A 85 -18.982 -1.494 -0.473 1.00 0.00 C ATOM 1368 O TYR A 85 -19.523 -1.224 -1.550 1.00 0.00 O ATOM 1369 CB TYR A 85 -18.324 0.713 0.600 1.00 0.00 C ATOM 1370 CG TYR A 85 -18.619 1.727 1.693 1.00 0.00 C ATOM 1371 CD1 TYR A 85 -19.638 2.654 1.550 1.00 0.00 C ATOM 1372 CD2 TYR A 85 -17.885 1.741 2.875 1.00 0.00 C ATOM 1373 CE1 TYR A 85 -19.913 3.567 2.549 1.00 0.00 C ATOM 1374 CE2 TYR A 85 -18.157 2.643 3.876 1.00 0.00 C ATOM 1375 CZ TYR A 85 -19.170 3.553 3.710 1.00 0.00 C ATOM 1376 OH TYR A 85 -19.446 4.454 4.713 1.00 0.00 O ATOM 0 H TYR A 85 -17.891 -1.145 2.308 1.00 0.00 H new ATOM 0 HA TYR A 85 -20.192 -0.272 0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -17.263 0.463 0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -18.525 1.166 -0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.226 2.663 0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.085 1.028 3.009 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -20.706 4.289 2.421 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -17.577 2.635 4.787 1.00 0.00 H new ATOM 0 HH TYR A 85 -18.831 4.308 5.462 1.00 0.00 H new ATOM 1386 N GLY A 86 -18.227 -2.567 -0.304 1.00 0.00 N ATOM 1387 CA GLY A 86 -18.154 -3.582 -1.332 1.00 0.00 C ATOM 1388 C GLY A 86 -16.778 -3.804 -1.910 1.00 0.00 C ATOM 1389 O GLY A 86 -16.633 -4.524 -2.912 1.00 0.00 O ATOM 0 H GLY A 86 -17.664 -2.753 0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -18.515 -4.524 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -18.832 -3.309 -2.141 1.00 0.00 H new ATOM 1393 N ARG A 87 -15.767 -3.239 -1.304 1.00 0.00 N ATOM 1394 CA ARG A 87 -14.429 -3.430 -1.785 1.00 0.00 C ATOM 1395 C ARG A 87 -13.866 -4.658 -1.119 1.00 0.00 C ATOM 1396 O ARG A 87 -14.203 -4.945 0.024 1.00 0.00 O ATOM 1397 CB ARG A 87 -13.507 -2.219 -1.517 1.00 0.00 C ATOM 1398 CG ARG A 87 -13.805 -0.929 -2.307 1.00 0.00 C ATOM 1399 CD ARG A 87 -15.092 -0.231 -1.874 1.00 0.00 C ATOM 1400 NE ARG A 87 -15.097 0.052 -0.433 1.00 0.00 N ATOM 1401 CZ ARG A 87 -14.835 1.227 0.149 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -14.428 2.269 -0.569 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -14.977 1.350 1.461 1.00 0.00 N ATOM 0 H ARG A 87 -15.847 -2.645 -0.479 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.472 -3.545 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -13.555 -1.985 -0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.481 -2.519 -1.731 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -12.970 -0.239 -2.188 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -13.871 -1.170 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.205 0.701 -2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.948 -0.857 -2.125 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.323 -0.726 0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.312 2.179 -1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -14.232 3.159 -0.111 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -15.284 0.552 2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -14.779 2.242 1.914 1.00 0.00 H new ATOM 1417 N GLY A 88 -13.073 -5.400 -1.835 1.00 0.00 N ATOM 1418 CA GLY A 88 -12.480 -6.582 -1.276 1.00 0.00 C ATOM 1419 C GLY A 88 -11.396 -6.244 -0.286 1.00 0.00 C ATOM 1420 O GLY A 88 -10.593 -5.336 -0.529 1.00 0.00 O ATOM 0 H GLY A 88 -12.822 -5.210 -2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -13.249 -7.178 -0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.065 -7.195 -2.076 1.00 0.00 H new ATOM 1424 N LEU A 89 -11.370 -6.955 0.814 1.00 0.00 N ATOM 1425 CA LEU A 89 -10.386 -6.736 1.837 1.00 0.00 C ATOM 1426 C LEU A 89 -9.326 -7.795 1.710 1.00 0.00 C ATOM 1427 O LEU A 89 -9.445 -8.886 2.274 1.00 0.00 O ATOM 1428 CB LEU A 89 -11.013 -6.785 3.245 1.00 0.00 C ATOM 1429 CG LEU A 89 -12.074 -5.724 3.573 1.00 0.00 C ATOM 1430 CD1 LEU A 89 -12.658 -5.971 4.956 1.00 0.00 C ATOM 1431 CD2 LEU A 89 -11.479 -4.326 3.505 1.00 0.00 C ATOM 0 H LEU A 89 -12.033 -7.702 1.023 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.954 -5.744 1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.464 -7.768 3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.210 -6.698 3.977 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.869 -5.799 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.408 -5.211 5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.121 -6.957 4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.864 -5.921 5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.249 -3.591 3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.664 -4.242 4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.097 -4.142 2.501 1.00 0.00 H new ATOM 1443 N ALA A 90 -8.321 -7.504 0.942 1.00 0.00 N ATOM 1444 CA ALA A 90 -7.272 -8.444 0.702 1.00 0.00 C ATOM 1445 C ALA A 90 -5.957 -7.736 0.603 1.00 0.00 C ATOM 1446 O ALA A 90 -5.889 -6.607 0.137 1.00 0.00 O ATOM 1447 CB ALA A 90 -7.538 -9.225 -0.573 1.00 0.00 C ATOM 0 H ALA A 90 -8.206 -6.610 0.465 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.237 -9.143 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.729 -9.936 -0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.481 -9.764 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.595 -8.537 -1.416 1.00 0.00 H new ATOM 1453 N TYR A 91 -4.929 -8.383 1.051 1.00 0.00 N ATOM 1454 CA TYR A 91 -3.606 -7.849 0.971 1.00 0.00 C ATOM 1455 C TYR A 91 -3.080 -8.172 -0.396 1.00 0.00 C ATOM 1456 O TYR A 91 -2.998 -9.332 -0.769 1.00 0.00 O ATOM 1457 CB TYR A 91 -2.717 -8.456 2.045 1.00 0.00 C ATOM 1458 CG TYR A 91 -3.198 -8.202 3.459 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -3.077 -6.946 4.041 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -3.750 -9.227 4.219 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.489 -6.719 5.341 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -4.170 -9.007 5.515 1.00 0.00 C ATOM 1463 CZ TYR A 91 -4.035 -7.755 6.073 1.00 0.00 C ATOM 1464 OH TYR A 91 -4.411 -7.546 7.379 1.00 0.00 O ATOM 0 H TYR A 91 -4.984 -9.304 1.486 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.616 -6.771 1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.651 -9.532 1.882 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.709 -8.055 1.937 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.654 -6.134 3.468 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.852 -10.212 3.788 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.385 -5.738 5.781 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.603 -9.813 6.089 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.778 -8.375 7.751 1.00 0.00 H new ATOM 1474 N ILE A 92 -2.755 -7.171 -1.138 1.00 0.00 N ATOM 1475 CA ILE A 92 -2.416 -7.357 -2.510 1.00 0.00 C ATOM 1476 C ILE A 92 -0.918 -7.446 -2.719 1.00 0.00 C ATOM 1477 O ILE A 92 -0.137 -6.621 -2.217 1.00 0.00 O ATOM 1478 CB ILE A 92 -3.062 -6.251 -3.375 1.00 0.00 C ATOM 1479 CG1 ILE A 92 -4.584 -6.294 -3.147 1.00 0.00 C ATOM 1480 CG2 ILE A 92 -2.734 -6.447 -4.862 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -5.353 -5.195 -3.810 1.00 0.00 C ATOM 0 H ILE A 92 -2.716 -6.204 -0.815 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.821 -8.316 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.664 -5.279 -3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.963 -7.251 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.777 -6.257 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.202 -5.654 -5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.654 -6.413 -5.004 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.113 -7.414 -5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.415 -5.311 -3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.008 -4.232 -3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.197 -5.241 -4.888 1.00 0.00 H new ATOM 1493 N TYR A 93 -0.533 -8.469 -3.413 1.00 0.00 N ATOM 1494 CA TYR A 93 0.821 -8.736 -3.753 1.00 0.00 C ATOM 1495 C TYR A 93 1.005 -8.517 -5.232 1.00 0.00 C ATOM 1496 O TYR A 93 0.283 -9.093 -6.046 1.00 0.00 O ATOM 1497 CB TYR A 93 1.190 -10.190 -3.437 1.00 0.00 C ATOM 1498 CG TYR A 93 1.179 -10.573 -1.973 1.00 0.00 C ATOM 1499 CD1 TYR A 93 -0.010 -10.778 -1.285 1.00 0.00 C ATOM 1500 CD2 TYR A 93 2.368 -10.759 -1.287 1.00 0.00 C ATOM 1501 CE1 TYR A 93 -0.006 -11.150 0.044 1.00 0.00 C ATOM 1502 CE2 TYR A 93 2.375 -11.131 0.036 1.00 0.00 C ATOM 1503 CZ TYR A 93 1.187 -11.323 0.699 1.00 0.00 C ATOM 1504 OH TYR A 93 1.198 -11.698 2.023 1.00 0.00 O ATOM 0 H TYR A 93 -1.184 -9.168 -3.771 1.00 0.00 H new ATOM 0 HA TYR A 93 1.459 -8.070 -3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.498 -10.844 -3.968 1.00 0.00 H new ATOM 0 HB3 TYR A 93 2.185 -10.387 -3.836 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.951 -10.644 -1.797 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.306 -10.609 -1.801 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -0.939 -11.304 0.566 1.00 0.00 H new ATOM 0 HE2 TYR A 93 3.312 -11.272 0.553 1.00 0.00 H new ATOM 0 HH TYR A 93 0.292 -11.952 2.299 1.00 0.00 H new ATOM 1514 N ALA A 94 1.947 -7.703 -5.580 1.00 0.00 N ATOM 1515 CA ALA A 94 2.284 -7.494 -6.943 1.00 0.00 C ATOM 1516 C ALA A 94 3.542 -8.247 -7.189 1.00 0.00 C ATOM 1517 O ALA A 94 4.612 -7.865 -6.707 1.00 0.00 O ATOM 1518 CB ALA A 94 2.502 -6.021 -7.216 1.00 0.00 C ATOM 0 H ALA A 94 2.506 -7.163 -4.920 1.00 0.00 H new ATOM 0 HA ALA A 94 1.482 -7.834 -7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.759 -5.880 -8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.589 -5.470 -6.989 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.314 -5.651 -6.590 1.00 0.00 H new ATOM 1524 N ASP A 95 3.394 -9.343 -7.886 1.00 0.00 N ATOM 1525 CA ASP A 95 4.474 -10.255 -8.269 1.00 0.00 C ATOM 1526 C ASP A 95 5.121 -10.879 -7.024 1.00 0.00 C ATOM 1527 O ASP A 95 6.249 -11.348 -7.054 1.00 0.00 O ATOM 1528 CB ASP A 95 5.517 -9.555 -9.153 1.00 0.00 C ATOM 1529 CG ASP A 95 6.228 -10.527 -10.058 1.00 0.00 C ATOM 1530 OD1 ASP A 95 5.711 -10.795 -11.168 1.00 0.00 O ATOM 1531 OD2 ASP A 95 7.296 -11.062 -9.688 1.00 0.00 O ATOM 0 H ASP A 95 2.482 -9.650 -8.224 1.00 0.00 H new ATOM 0 HA ASP A 95 4.040 -11.059 -8.863 1.00 0.00 H new ATOM 0 HB2 ASP A 95 5.028 -8.789 -9.755 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.246 -9.047 -8.522 1.00 0.00 H new ATOM 1536 N GLY A 96 4.354 -10.953 -5.953 1.00 0.00 N ATOM 1537 CA GLY A 96 4.851 -11.519 -4.714 1.00 0.00 C ATOM 1538 C GLY A 96 5.367 -10.478 -3.734 1.00 0.00 C ATOM 1539 O GLY A 96 5.910 -10.820 -2.679 1.00 0.00 O ATOM 0 H GLY A 96 3.387 -10.629 -5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.053 -12.089 -4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.653 -12.221 -4.941 1.00 0.00 H new ATOM 1543 N LYS A 97 5.233 -9.218 -4.085 1.00 0.00 N ATOM 1544 CA LYS A 97 5.609 -8.131 -3.198 1.00 0.00 C ATOM 1545 C LYS A 97 4.357 -7.430 -2.726 1.00 0.00 C ATOM 1546 O LYS A 97 3.517 -7.089 -3.542 1.00 0.00 O ATOM 1547 CB LYS A 97 6.490 -7.133 -3.934 1.00 0.00 C ATOM 1548 CG LYS A 97 7.804 -7.717 -4.391 1.00 0.00 C ATOM 1549 CD LYS A 97 8.594 -6.743 -5.261 1.00 0.00 C ATOM 1550 CE LYS A 97 8.958 -5.471 -4.502 1.00 0.00 C ATOM 1551 NZ LYS A 97 9.729 -4.527 -5.330 1.00 0.00 N ATOM 0 H LYS A 97 4.863 -8.916 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 97 6.161 -8.535 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.949 -6.752 -4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.686 -6.282 -3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.401 -7.991 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.618 -8.633 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.504 -7.228 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.007 -6.485 -6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.047 -4.985 -4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.538 -5.732 -3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.953 -3.679 -4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.612 -4.980 -5.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.167 -4.256 -6.162 1.00 0.00 H new ATOM 1565 N MET A 98 4.221 -7.199 -1.439 1.00 0.00 N ATOM 1566 CA MET A 98 3.028 -6.532 -0.931 1.00 0.00 C ATOM 1567 C MET A 98 2.963 -5.099 -1.393 1.00 0.00 C ATOM 1568 O MET A 98 3.836 -4.288 -1.061 1.00 0.00 O ATOM 1569 CB MET A 98 2.914 -6.568 0.592 1.00 0.00 C ATOM 1570 CG MET A 98 2.527 -7.902 1.179 1.00 0.00 C ATOM 1571 SD MET A 98 2.290 -7.837 2.976 1.00 0.00 S ATOM 1572 CE MET A 98 0.961 -6.636 3.113 1.00 0.00 C ATOM 0 H MET A 98 4.907 -7.456 -0.729 1.00 0.00 H new ATOM 0 HA MET A 98 2.189 -7.095 -1.341 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.871 -6.266 1.018 1.00 0.00 H new ATOM 0 HB3 MET A 98 2.178 -5.826 0.902 1.00 0.00 H new ATOM 0 HG2 MET A 98 1.607 -8.248 0.708 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.300 -8.635 0.945 1.00 0.00 H new ATOM 0 HE1 MET A 98 0.470 -6.746 4.080 1.00 0.00 H new ATOM 0 HE2 MET A 98 1.370 -5.629 3.026 1.00 0.00 H new ATOM 0 HE3 MET A 98 0.236 -6.803 2.317 1.00 0.00 H new ATOM 1582 N VAL A 99 1.931 -4.793 -2.138 1.00 0.00 N ATOM 1583 CA VAL A 99 1.696 -3.456 -2.642 1.00 0.00 C ATOM 1584 C VAL A 99 1.430 -2.558 -1.468 1.00 0.00 C ATOM 1585 O VAL A 99 2.013 -1.483 -1.344 1.00 0.00 O ATOM 1586 CB VAL A 99 0.462 -3.429 -3.569 1.00 0.00 C ATOM 1587 CG1 VAL A 99 0.218 -2.039 -4.117 1.00 0.00 C ATOM 1588 CG2 VAL A 99 0.616 -4.421 -4.696 1.00 0.00 C ATOM 0 H VAL A 99 1.221 -5.470 -2.417 1.00 0.00 H new ATOM 0 HA VAL A 99 2.567 -3.127 -3.208 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.405 -3.714 -2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.658 -2.052 -4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.048 -1.347 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.088 -1.715 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.265 -4.384 -5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.501 -4.172 -5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.724 -5.425 -4.285 1.00 0.00 H new ATOM 1598 N ASN A 100 0.586 -3.068 -0.575 1.00 0.00 N ATOM 1599 CA ASN A 100 0.171 -2.372 0.637 1.00 0.00 C ATOM 1600 C ASN A 100 1.394 -1.916 1.397 1.00 0.00 C ATOM 1601 O ASN A 100 1.508 -0.765 1.776 1.00 0.00 O ATOM 1602 CB ASN A 100 -0.632 -3.300 1.588 1.00 0.00 C ATOM 1603 CG ASN A 100 -1.803 -4.049 0.967 1.00 0.00 C ATOM 1604 OD1 ASN A 100 -1.773 -4.464 -0.183 1.00 0.00 O ATOM 1605 ND2 ASN A 100 -2.838 -4.240 1.736 1.00 0.00 N ATOM 0 H ASN A 100 0.165 -3.992 -0.676 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.454 -1.534 0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.055 -4.031 2.014 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.010 -2.699 2.415 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -3.650 -4.747 1.382 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -2.836 -3.883 2.691 1.00 0.00 H new ATOM 1612 N GLU A 101 2.327 -2.838 1.554 1.00 0.00 N ATOM 1613 CA GLU A 101 3.513 -2.621 2.328 1.00 0.00 C ATOM 1614 C GLU A 101 4.417 -1.613 1.655 1.00 0.00 C ATOM 1615 O GLU A 101 4.891 -0.695 2.297 1.00 0.00 O ATOM 1616 CB GLU A 101 4.216 -3.955 2.534 1.00 0.00 C ATOM 1617 CG GLU A 101 5.347 -3.937 3.538 1.00 0.00 C ATOM 1618 CD GLU A 101 6.673 -3.453 3.015 1.00 0.00 C ATOM 1619 OE1 GLU A 101 7.089 -3.864 1.899 1.00 0.00 O ATOM 1620 OE2 GLU A 101 7.354 -2.710 3.746 1.00 0.00 O ATOM 0 H GLU A 101 2.271 -3.767 1.138 1.00 0.00 H new ATOM 0 HA GLU A 101 3.247 -2.207 3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.478 -4.691 2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.608 -4.293 1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.055 -3.305 4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.477 -4.946 3.930 1.00 0.00 H new ATOM 1627 N ALA A 102 4.607 -1.772 0.352 1.00 0.00 N ATOM 1628 CA ALA A 102 5.482 -0.899 -0.422 1.00 0.00 C ATOM 1629 C ALA A 102 5.015 0.551 -0.358 1.00 0.00 C ATOM 1630 O ALA A 102 5.843 1.476 -0.255 1.00 0.00 O ATOM 1631 CB ALA A 102 5.585 -1.373 -1.862 1.00 0.00 C ATOM 0 H ALA A 102 4.161 -2.507 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 102 6.476 -0.947 0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.243 -0.706 -2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.991 -2.384 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.595 -1.370 -2.318 1.00 0.00 H new ATOM 1637 N LEU A 103 3.700 0.743 -0.419 1.00 0.00 N ATOM 1638 CA LEU A 103 3.101 2.055 -0.278 1.00 0.00 C ATOM 1639 C LEU A 103 3.418 2.629 1.091 1.00 0.00 C ATOM 1640 O LEU A 103 3.915 3.748 1.205 1.00 0.00 O ATOM 1641 CB LEU A 103 1.581 1.976 -0.445 1.00 0.00 C ATOM 1642 CG LEU A 103 1.066 1.405 -1.757 1.00 0.00 C ATOM 1643 CD1 LEU A 103 -0.448 1.383 -1.770 1.00 0.00 C ATOM 1644 CD2 LEU A 103 1.603 2.195 -2.924 1.00 0.00 C ATOM 0 H LEU A 103 3.026 -0.008 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 103 3.514 2.700 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.180 1.372 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.173 2.980 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 103 1.420 0.378 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.798 0.971 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.810 0.764 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.828 2.398 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.224 1.772 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.281 3.233 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.692 2.151 -2.923 1.00 0.00 H new ATOM 1656 N VAL A 104 3.163 1.847 2.123 1.00 0.00 N ATOM 1657 CA VAL A 104 3.361 2.287 3.498 1.00 0.00 C ATOM 1658 C VAL A 104 4.850 2.560 3.790 1.00 0.00 C ATOM 1659 O VAL A 104 5.190 3.589 4.351 1.00 0.00 O ATOM 1660 CB VAL A 104 2.790 1.267 4.528 1.00 0.00 C ATOM 1661 CG1 VAL A 104 2.918 1.800 5.920 1.00 0.00 C ATOM 1662 CG2 VAL A 104 1.339 0.961 4.258 1.00 0.00 C ATOM 0 H VAL A 104 2.814 0.892 2.036 1.00 0.00 H new ATOM 0 HA VAL A 104 2.807 3.219 3.609 1.00 0.00 H new ATOM 0 HB VAL A 104 3.370 0.350 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.514 1.074 6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.969 1.980 6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.364 2.735 6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.974 0.246 4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.755 1.879 4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.236 0.536 3.260 1.00 0.00 H new ATOM 1672 N ARG A 105 5.720 1.661 3.329 1.00 0.00 N ATOM 1673 CA ARG A 105 7.182 1.744 3.540 1.00 0.00 C ATOM 1674 C ARG A 105 7.730 3.029 2.925 1.00 0.00 C ATOM 1675 O ARG A 105 8.668 3.629 3.450 1.00 0.00 O ATOM 1676 CB ARG A 105 7.843 0.495 2.890 1.00 0.00 C ATOM 1677 CG ARG A 105 9.317 0.162 3.236 1.00 0.00 C ATOM 1678 CD ARG A 105 10.344 1.100 2.602 1.00 0.00 C ATOM 1679 NE ARG A 105 11.712 0.541 2.693 1.00 0.00 N ATOM 1680 CZ ARG A 105 12.859 1.237 2.662 1.00 0.00 C ATOM 1681 NH1 ARG A 105 12.844 2.558 2.632 1.00 0.00 N ATOM 1682 NH2 ARG A 105 14.021 0.596 2.672 1.00 0.00 N ATOM 0 H ARG A 105 5.435 0.842 2.791 1.00 0.00 H new ATOM 0 HA ARG A 105 7.408 1.763 4.606 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.238 -0.373 3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 105 7.777 0.612 1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.438 0.190 4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 105 9.530 -0.858 2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 105 10.087 1.270 1.556 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.311 2.069 3.100 1.00 0.00 H new ATOM 0 HE ARG A 105 11.790 -0.471 2.789 1.00 0.00 H new ATOM 0 HH11 ARG A 105 11.955 3.058 2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 105 13.721 3.078 2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 105 14.041 -0.423 2.703 1.00 0.00 H new ATOM 0 HH22 ARG A 105 14.894 1.123 2.648 1.00 0.00 H new ATOM 1696 N GLN A 106 7.126 3.453 1.827 1.00 0.00 N ATOM 1697 CA GLN A 106 7.575 4.628 1.113 1.00 0.00 C ATOM 1698 C GLN A 106 6.779 5.890 1.556 1.00 0.00 C ATOM 1699 O GLN A 106 7.029 7.010 1.079 1.00 0.00 O ATOM 1700 CB GLN A 106 7.470 4.382 -0.401 1.00 0.00 C ATOM 1701 CG GLN A 106 8.048 5.487 -1.272 1.00 0.00 C ATOM 1702 CD GLN A 106 9.524 5.693 -1.076 1.00 0.00 C ATOM 1703 OE1 GLN A 106 9.878 6.537 -0.143 1.00 0.00 O flip ATOM 1704 NE2 GLN A 106 10.340 5.094 -1.763 1.00 0.00 N flip ATOM 0 H GLN A 106 6.316 2.993 1.411 1.00 0.00 H new ATOM 0 HA GLN A 106 8.621 4.818 1.356 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.980 3.448 -0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.420 4.247 -0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.858 5.251 -2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.527 6.420 -1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.022 4.443 -2.481 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.338 5.245 -1.617 1.00 0.00 H new ATOM 1713 N GLY A 107 5.873 5.704 2.486 1.00 0.00 N ATOM 1714 CA GLY A 107 5.096 6.796 3.032 1.00 0.00 C ATOM 1715 C GLY A 107 3.961 7.274 2.152 1.00 0.00 C ATOM 1716 O GLY A 107 3.609 8.430 2.205 1.00 0.00 O ATOM 0 H GLY A 107 5.652 4.792 2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.685 6.485 3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 107 5.763 7.635 3.227 1.00 0.00 H new ATOM 1720 N LEU A 108 3.402 6.404 1.336 1.00 0.00 N ATOM 1721 CA LEU A 108 2.260 6.785 0.484 1.00 0.00 C ATOM 1722 C LEU A 108 0.969 6.238 1.058 1.00 0.00 C ATOM 1723 O LEU A 108 -0.122 6.539 0.578 1.00 0.00 O ATOM 1724 CB LEU A 108 2.409 6.316 -0.981 1.00 0.00 C ATOM 1725 CG LEU A 108 3.505 6.967 -1.845 1.00 0.00 C ATOM 1726 CD1 LEU A 108 4.873 6.582 -1.408 1.00 0.00 C ATOM 1727 CD2 LEU A 108 3.316 6.611 -3.281 1.00 0.00 C ATOM 0 H LEU A 108 3.705 5.435 1.234 1.00 0.00 H new ATOM 0 HA LEU A 108 2.238 7.875 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.588 5.241 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.453 6.475 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 108 3.409 8.045 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.610 7.067 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.027 6.896 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.987 5.500 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.099 7.079 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.369 5.529 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.342 6.965 -3.618 1.00 0.00 H new ATOM 1739 N ALA A 109 1.098 5.429 2.068 1.00 0.00 N ATOM 1740 CA ALA A 109 -0.026 4.853 2.737 1.00 0.00 C ATOM 1741 C ALA A 109 0.231 4.906 4.209 1.00 0.00 C ATOM 1742 O ALA A 109 1.383 4.821 4.637 1.00 0.00 O ATOM 1743 CB ALA A 109 -0.246 3.421 2.288 1.00 0.00 C ATOM 0 H ALA A 109 2.000 5.148 2.454 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.928 5.414 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.107 3.004 2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.429 3.401 1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.640 2.828 2.516 1.00 0.00 H new ATOM 1749 N LYS A 110 -0.806 5.068 4.968 1.00 0.00 N ATOM 1750 CA LYS A 110 -0.700 5.159 6.385 1.00 0.00 C ATOM 1751 C LYS A 110 -1.735 4.247 7.003 1.00 0.00 C ATOM 1752 O LYS A 110 -2.804 4.033 6.391 1.00 0.00 O ATOM 1753 CB LYS A 110 -0.923 6.618 6.782 1.00 0.00 C ATOM 1754 CG LYS A 110 -0.989 6.872 8.260 1.00 0.00 C ATOM 1755 CD LYS A 110 -1.041 8.360 8.586 1.00 0.00 C ATOM 1756 CE LYS A 110 -2.283 9.040 8.052 1.00 0.00 C ATOM 1757 NZ LYS A 110 -3.524 8.461 8.625 1.00 0.00 N ATOM 0 H LYS A 110 -1.760 5.141 4.615 1.00 0.00 H new ATOM 0 HA LYS A 110 0.282 4.847 6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.118 7.220 6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.851 6.964 6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.870 6.380 8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.120 6.426 8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.998 8.491 9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.159 8.848 8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.240 10.105 8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.308 8.948 6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.334 9.067 8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.675 7.509 8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.434 8.401 9.659 1.00 0.00 H new ATOM 1771 N VAL A 111 -1.423 3.684 8.170 1.00 0.00 N ATOM 1772 CA VAL A 111 -2.344 2.804 8.862 1.00 0.00 C ATOM 1773 C VAL A 111 -3.630 3.573 9.228 1.00 0.00 C ATOM 1774 O VAL A 111 -3.593 4.705 9.749 1.00 0.00 O ATOM 1775 CB VAL A 111 -1.694 2.149 10.126 1.00 0.00 C ATOM 1776 CG1 VAL A 111 -2.661 1.191 10.808 1.00 0.00 C ATOM 1777 CG2 VAL A 111 -0.419 1.406 9.747 1.00 0.00 C ATOM 0 H VAL A 111 -0.535 3.827 8.651 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.602 1.988 8.187 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.449 2.950 10.824 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.182 0.751 11.683 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.553 1.734 11.118 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.941 0.400 10.112 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.019 0.957 10.638 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.655 0.624 9.025 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.292 2.105 9.306 1.00 0.00 H new ATOM 1787 N ALA A 112 -4.737 2.968 8.922 1.00 0.00 N ATOM 1788 CA ALA A 112 -6.039 3.563 9.083 1.00 0.00 C ATOM 1789 C ALA A 112 -6.814 2.875 10.189 1.00 0.00 C ATOM 1790 O ALA A 112 -6.238 2.119 10.990 1.00 0.00 O ATOM 1791 CB ALA A 112 -6.806 3.483 7.775 1.00 0.00 C ATOM 0 H ALA A 112 -4.766 2.021 8.543 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.911 4.609 9.360 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.790 3.934 7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.259 4.018 6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.921 2.439 7.484 1.00 0.00 H new ATOM 1797 N TYR A 113 -8.092 3.219 10.285 1.00 0.00 N ATOM 1798 CA TYR A 113 -9.017 2.610 11.220 1.00 0.00 C ATOM 1799 C TYR A 113 -9.166 1.113 10.918 1.00 0.00 C ATOM 1800 O TYR A 113 -9.943 0.708 10.060 1.00 0.00 O ATOM 1801 CB TYR A 113 -10.379 3.328 11.150 1.00 0.00 C ATOM 1802 CG TYR A 113 -11.441 2.791 12.092 1.00 0.00 C ATOM 1803 CD1 TYR A 113 -11.308 2.934 13.459 1.00 0.00 C ATOM 1804 CD2 TYR A 113 -12.580 2.149 11.607 1.00 0.00 C ATOM 1805 CE1 TYR A 113 -12.268 2.457 14.324 1.00 0.00 C ATOM 1806 CE2 TYR A 113 -13.552 1.673 12.469 1.00 0.00 C ATOM 1807 CZ TYR A 113 -13.389 1.831 13.828 1.00 0.00 C ATOM 1808 OH TYR A 113 -14.361 1.374 14.702 1.00 0.00 O ATOM 0 H TYR A 113 -8.518 3.941 9.704 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.626 2.712 12.232 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -10.226 4.385 11.366 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.755 3.262 10.129 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -10.435 3.429 13.857 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -12.705 2.021 10.542 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -12.141 2.574 15.390 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -14.431 1.182 12.080 1.00 0.00 H new ATOM 0 HH TYR A 113 -15.088 0.957 14.194 1.00 0.00 H new ATOM 1818 N VAL A 114 -8.375 0.337 11.614 1.00 0.00 N ATOM 1819 CA VAL A 114 -8.313 -1.103 11.483 1.00 0.00 C ATOM 1820 C VAL A 114 -9.628 -1.748 11.884 1.00 0.00 C ATOM 1821 O VAL A 114 -10.249 -1.347 12.882 1.00 0.00 O ATOM 1822 CB VAL A 114 -7.165 -1.673 12.379 1.00 0.00 C ATOM 1823 CG1 VAL A 114 -7.131 -3.199 12.372 1.00 0.00 C ATOM 1824 CG2 VAL A 114 -5.822 -1.110 11.939 1.00 0.00 C ATOM 0 H VAL A 114 -7.730 0.701 12.315 1.00 0.00 H new ATOM 0 HA VAL A 114 -8.116 -1.335 10.436 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.367 -1.360 13.403 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -6.317 -3.548 13.008 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -8.078 -3.586 12.749 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -6.973 -3.555 11.354 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -5.033 -1.516 12.572 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.634 -1.387 10.902 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -5.836 -0.024 12.028 1.00 0.00 H new ATOM 1834 N TYR A 115 -10.051 -2.716 11.105 1.00 0.00 N ATOM 1835 CA TYR A 115 -11.220 -3.485 11.401 1.00 0.00 C ATOM 1836 C TYR A 115 -10.842 -4.951 11.508 1.00 0.00 C ATOM 1837 O TYR A 115 -10.648 -5.636 10.504 1.00 0.00 O ATOM 1838 CB TYR A 115 -12.315 -3.282 10.346 1.00 0.00 C ATOM 1839 CG TYR A 115 -13.580 -4.083 10.598 1.00 0.00 C ATOM 1840 CD1 TYR A 115 -14.514 -3.667 11.536 1.00 0.00 C ATOM 1841 CD2 TYR A 115 -13.832 -5.264 9.902 1.00 0.00 C ATOM 1842 CE1 TYR A 115 -15.659 -4.401 11.774 1.00 0.00 C ATOM 1843 CE2 TYR A 115 -14.971 -6.000 10.137 1.00 0.00 C ATOM 1844 CZ TYR A 115 -15.881 -5.565 11.073 1.00 0.00 C ATOM 1845 OH TYR A 115 -17.029 -6.299 11.308 1.00 0.00 O ATOM 0 H TYR A 115 -9.583 -2.989 10.241 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.627 -3.143 12.353 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -12.571 -2.223 10.304 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.916 -3.552 9.368 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -14.343 -2.755 12.088 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -13.121 -5.608 9.165 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -16.377 -4.064 12.507 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -15.150 -6.914 9.590 1.00 0.00 H new ATOM 0 HH TYR A 115 -17.034 -7.091 10.731 1.00 0.00 H new ATOM 1855 N LYS A 116 -10.679 -5.398 12.717 1.00 0.00 N ATOM 1856 CA LYS A 116 -10.383 -6.780 13.001 1.00 0.00 C ATOM 1857 C LYS A 116 -11.676 -7.591 12.772 1.00 0.00 C ATOM 1858 O LYS A 116 -12.771 -7.024 12.892 1.00 0.00 O ATOM 1859 CB LYS A 116 -9.888 -6.878 14.449 1.00 0.00 C ATOM 1860 CG LYS A 116 -8.637 -6.039 14.687 1.00 0.00 C ATOM 1861 CD LYS A 116 -8.397 -5.781 16.163 1.00 0.00 C ATOM 1862 CE LYS A 116 -7.247 -4.798 16.403 1.00 0.00 C ATOM 1863 NZ LYS A 116 -5.908 -5.384 16.164 1.00 0.00 N ATOM 0 H LYS A 116 -10.748 -4.810 13.548 1.00 0.00 H new ATOM 0 HA LYS A 116 -9.603 -7.180 12.353 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.678 -6.549 15.124 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -9.676 -7.920 14.689 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.772 -6.549 14.263 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.734 -5.088 14.164 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.308 -5.387 16.613 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.176 -6.724 16.663 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -7.377 -3.933 15.753 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.298 -4.435 17.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.304 -4.685 15.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.478 -5.650 17.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -6.001 -6.229 15.565 1.00 0.00 H new ATOM 1877 N PRO A 117 -11.609 -8.909 12.476 1.00 0.00 N ATOM 1878 CA PRO A 117 -10.382 -9.704 12.459 1.00 0.00 C ATOM 1879 C PRO A 117 -9.526 -9.602 11.179 1.00 0.00 C ATOM 1880 O PRO A 117 -8.610 -10.389 11.002 1.00 0.00 O ATOM 1881 CB PRO A 117 -10.870 -11.139 12.681 1.00 0.00 C ATOM 1882 CG PRO A 117 -12.331 -11.148 12.342 1.00 0.00 C ATOM 1883 CD PRO A 117 -12.771 -9.723 12.104 1.00 0.00 C ATOM 0 HA PRO A 117 -9.698 -9.333 13.222 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.321 -11.838 12.050 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -10.709 -11.448 13.714 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -12.511 -11.754 11.454 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.907 -11.593 13.154 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -13.050 -9.563 11.062 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -13.642 -9.471 12.709 1.00 0.00 H new ATOM 1891 N ASN A 118 -9.811 -8.656 10.301 1.00 0.00 N ATOM 1892 CA ASN A 118 -8.927 -8.420 9.144 1.00 0.00 C ATOM 1893 C ASN A 118 -7.742 -7.663 9.678 1.00 0.00 C ATOM 1894 O ASN A 118 -7.780 -6.436 9.813 1.00 0.00 O ATOM 1895 CB ASN A 118 -9.620 -7.602 8.040 1.00 0.00 C ATOM 1896 CG ASN A 118 -10.775 -8.323 7.389 1.00 0.00 C ATOM 1897 OD1 ASN A 118 -11.917 -8.259 7.858 1.00 0.00 O ATOM 1898 ND2 ASN A 118 -10.506 -8.993 6.293 1.00 0.00 N ATOM 0 H ASN A 118 -10.626 -8.045 10.353 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.643 -9.368 8.687 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.980 -6.665 8.465 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.887 -7.344 7.276 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -11.252 -9.483 5.799 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -9.551 -9.024 5.935 1.00 0.00 H new ATOM 1905 N ASN A 119 -6.703 -8.372 10.030 1.00 0.00 N ATOM 1906 CA ASN A 119 -5.704 -7.756 10.845 1.00 0.00 C ATOM 1907 C ASN A 119 -4.330 -8.439 10.807 1.00 0.00 C ATOM 1908 O ASN A 119 -3.371 -7.896 11.349 1.00 0.00 O ATOM 1909 CB ASN A 119 -6.246 -7.804 12.259 1.00 0.00 C ATOM 1910 CG ASN A 119 -5.513 -6.965 13.243 1.00 0.00 C ATOM 1911 OD1 ASN A 119 -5.335 -7.354 14.392 1.00 0.00 O ATOM 1912 ND2 ASN A 119 -5.222 -5.782 12.868 1.00 0.00 N ATOM 0 H ASN A 119 -6.533 -9.344 9.773 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.525 -6.749 10.470 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.290 -7.490 12.243 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.230 -8.838 12.603 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -4.825 -5.119 13.534 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -5.386 -5.498 11.902 1.00 0.00 H new ATOM 1919 N THR A 120 -4.209 -9.577 10.149 1.00 0.00 N ATOM 1920 CA THR A 120 -2.973 -10.370 10.207 1.00 0.00 C ATOM 1921 C THR A 120 -1.714 -9.622 9.687 1.00 0.00 C ATOM 1922 O THR A 120 -0.601 -9.896 10.123 1.00 0.00 O ATOM 1923 CB THR A 120 -3.160 -11.735 9.503 1.00 0.00 C ATOM 1924 OG1 THR A 120 -4.275 -12.405 10.110 1.00 0.00 O ATOM 1925 CG2 THR A 120 -1.923 -12.624 9.634 1.00 0.00 C ATOM 0 H THR A 120 -4.943 -9.981 9.567 1.00 0.00 H new ATOM 0 HA THR A 120 -2.779 -10.547 11.265 1.00 0.00 H new ATOM 0 HB THR A 120 -3.329 -11.552 8.442 1.00 0.00 H new ATOM 0 HG1 THR A 120 -4.870 -12.748 9.411 1.00 0.00 H new ATOM 0 HG21 THR A 120 -2.100 -13.571 9.125 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.066 -12.124 9.182 1.00 0.00 H new ATOM 0 HG23 THR A 120 -1.720 -12.811 10.688 1.00 0.00 H new ATOM 1933 N HIS A 121 -1.885 -8.657 8.801 1.00 0.00 N ATOM 1934 CA HIS A 121 -0.723 -7.906 8.317 1.00 0.00 C ATOM 1935 C HIS A 121 -0.734 -6.464 8.826 1.00 0.00 C ATOM 1936 O HIS A 121 -0.043 -5.616 8.261 1.00 0.00 O ATOM 1937 CB HIS A 121 -0.605 -7.903 6.775 1.00 0.00 C ATOM 1938 CG HIS A 121 -0.261 -9.219 6.119 1.00 0.00 C ATOM 1939 ND1 HIS A 121 0.913 -9.434 5.433 1.00 0.00 N ATOM 1940 CD2 HIS A 121 -0.984 -10.347 5.952 1.00 0.00 C ATOM 1941 CE1 HIS A 121 0.882 -10.621 4.878 1.00 0.00 C ATOM 1942 NE2 HIS A 121 -0.252 -11.195 5.172 1.00 0.00 N ATOM 0 H HIS A 121 -2.783 -8.375 8.408 1.00 0.00 H new ATOM 0 HA HIS A 121 0.147 -8.426 8.719 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.551 -7.554 6.362 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.154 -7.173 6.493 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -1.964 -10.543 6.361 1.00 0.00 H new ATOM 0 HE1 HIS A 121 1.667 -11.053 4.276 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -0.544 -12.124 4.869 1.00 0.00 H new ATOM 1951 N GLU A 122 -1.486 -6.186 9.909 1.00 0.00 N ATOM 1952 CA GLU A 122 -1.563 -4.824 10.457 1.00 0.00 C ATOM 1953 C GLU A 122 -0.165 -4.374 10.912 1.00 0.00 C ATOM 1954 O GLU A 122 0.325 -3.314 10.536 1.00 0.00 O ATOM 1955 CB GLU A 122 -2.455 -4.764 11.707 1.00 0.00 C ATOM 1956 CG GLU A 122 -2.729 -3.330 12.174 1.00 0.00 C ATOM 1957 CD GLU A 122 -3.103 -3.195 13.644 1.00 0.00 C ATOM 1958 OE1 GLU A 122 -4.001 -3.896 14.144 1.00 0.00 O ATOM 1959 OE2 GLU A 122 -2.525 -2.338 14.314 1.00 0.00 O ATOM 0 H GLU A 122 -2.040 -6.878 10.413 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.970 -4.189 9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -3.403 -5.259 11.495 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.978 -5.319 12.515 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -1.842 -2.725 11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -3.535 -2.914 11.569 1.00 0.00 H new ATOM 1966 N GLN A 123 0.473 -5.235 11.705 1.00 0.00 N ATOM 1967 CA GLN A 123 1.753 -4.938 12.344 1.00 0.00 C ATOM 1968 C GLN A 123 2.872 -4.918 11.328 1.00 0.00 C ATOM 1969 O GLN A 123 3.872 -4.197 11.484 1.00 0.00 O ATOM 1970 CB GLN A 123 2.033 -5.954 13.435 1.00 0.00 C ATOM 1971 CG GLN A 123 0.890 -6.082 14.422 1.00 0.00 C ATOM 1972 CD GLN A 123 1.165 -7.089 15.503 1.00 0.00 C ATOM 1973 OE1 GLN A 123 1.706 -6.754 16.547 1.00 0.00 O ATOM 1974 NE2 GLN A 123 0.785 -8.312 15.279 1.00 0.00 N ATOM 0 H GLN A 123 0.113 -6.164 11.923 1.00 0.00 H new ATOM 0 HA GLN A 123 1.697 -3.947 12.794 1.00 0.00 H new ATOM 0 HB2 GLN A 123 2.226 -6.926 12.980 1.00 0.00 H new ATOM 0 HB3 GLN A 123 2.939 -5.667 13.969 1.00 0.00 H new ATOM 0 HG2 GLN A 123 0.698 -5.110 14.877 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -0.016 -6.368 13.887 1.00 0.00 H new ATOM 0 HE21 GLN A 123 0.337 -8.553 14.395 1.00 0.00 H new ATOM 0 HE22 GLN A 123 0.935 -9.031 15.987 1.00 0.00 H new ATOM 1983 N LEU A 124 2.685 -5.702 10.292 1.00 0.00 N ATOM 1984 CA LEU A 124 3.569 -5.762 9.153 1.00 0.00 C ATOM 1985 C LEU A 124 3.626 -4.366 8.541 1.00 0.00 C ATOM 1986 O LEU A 124 4.707 -3.789 8.346 1.00 0.00 O ATOM 1987 CB LEU A 124 2.994 -6.822 8.159 1.00 0.00 C ATOM 1988 CG LEU A 124 3.764 -7.186 6.859 1.00 0.00 C ATOM 1989 CD1 LEU A 124 3.772 -6.067 5.841 1.00 0.00 C ATOM 1990 CD2 LEU A 124 5.174 -7.647 7.160 1.00 0.00 C ATOM 0 H LEU A 124 1.889 -6.335 10.217 1.00 0.00 H new ATOM 0 HA LEU A 124 4.583 -6.061 9.420 1.00 0.00 H new ATOM 0 HB2 LEU A 124 2.855 -7.746 8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.004 -6.479 7.860 1.00 0.00 H new ATOM 0 HG LEU A 124 3.217 -8.015 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 124 4.325 -6.384 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 124 2.747 -5.823 5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 124 4.249 -5.187 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 124 5.683 -7.893 6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 124 5.716 -6.851 7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 124 5.140 -8.530 7.799 1.00 0.00 H new ATOM 2002 N LEU A 125 2.457 -3.817 8.309 1.00 0.00 N ATOM 2003 CA LEU A 125 2.314 -2.495 7.744 1.00 0.00 C ATOM 2004 C LEU A 125 2.765 -1.413 8.724 1.00 0.00 C ATOM 2005 O LEU A 125 3.353 -0.432 8.312 1.00 0.00 O ATOM 2006 CB LEU A 125 0.879 -2.282 7.268 1.00 0.00 C ATOM 2007 CG LEU A 125 0.430 -3.235 6.155 1.00 0.00 C ATOM 2008 CD1 LEU A 125 -1.043 -3.072 5.846 1.00 0.00 C ATOM 2009 CD2 LEU A 125 1.251 -3.011 4.905 1.00 0.00 C ATOM 0 H LEU A 125 1.570 -4.279 8.509 1.00 0.00 H new ATOM 0 HA LEU A 125 2.970 -2.414 6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.207 -2.395 8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.776 -1.256 6.914 1.00 0.00 H new ATOM 0 HG LEU A 125 0.589 -4.254 6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.327 -3.763 5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.628 -3.286 6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.236 -2.049 5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.919 -3.696 4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 125 1.123 -1.983 4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.303 -3.192 5.124 1.00 0.00 H new ATOM 2021 N ARG A 126 2.523 -1.622 10.028 1.00 0.00 N ATOM 2022 CA ARG A 126 3.000 -0.679 11.071 1.00 0.00 C ATOM 2023 C ARG A 126 4.496 -0.472 10.973 1.00 0.00 C ATOM 2024 O ARG A 126 4.990 0.640 11.083 1.00 0.00 O ATOM 2025 CB ARG A 126 2.744 -1.182 12.467 1.00 0.00 C ATOM 2026 CG ARG A 126 1.333 -1.272 12.917 1.00 0.00 C ATOM 2027 CD ARG A 126 1.371 -1.710 14.344 1.00 0.00 C ATOM 2028 NE ARG A 126 0.071 -1.794 14.963 1.00 0.00 N ATOM 2029 CZ ARG A 126 -0.157 -1.656 16.260 1.00 0.00 C ATOM 2030 NH1 ARG A 126 0.836 -1.384 17.107 1.00 0.00 N ATOM 2031 NH2 ARG A 126 -1.383 -1.785 16.698 1.00 0.00 N ATOM 0 H ARG A 126 2.007 -2.424 10.390 1.00 0.00 H new ATOM 0 HA ARG A 126 2.448 0.244 10.894 1.00 0.00 H new ATOM 0 HB2 ARG A 126 3.188 -2.174 12.553 1.00 0.00 H new ATOM 0 HB3 ARG A 126 3.277 -0.532 13.161 1.00 0.00 H new ATOM 0 HG2 ARG A 126 0.833 -0.309 12.820 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.776 -1.983 12.307 1.00 0.00 H new ATOM 0 HD2 ARG A 126 1.854 -2.685 14.402 1.00 0.00 H new ATOM 0 HD3 ARG A 126 1.989 -1.014 14.911 1.00 0.00 H new ATOM 0 HE ARG A 126 -0.731 -1.973 14.358 1.00 0.00 H new ATOM 0 HH11 ARG A 126 1.789 -1.279 16.759 1.00 0.00 H new ATOM 0 HH12 ARG A 126 0.643 -1.281 18.103 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -2.139 -1.988 16.044 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -1.582 -1.683 17.693 1.00 0.00 H new ATOM 2045 N LYS A 127 5.206 -1.569 10.755 1.00 0.00 N ATOM 2046 CA LYS A 127 6.653 -1.570 10.651 1.00 0.00 C ATOM 2047 C LYS A 127 7.064 -0.704 9.486 1.00 0.00 C ATOM 2048 O LYS A 127 7.943 0.149 9.593 1.00 0.00 O ATOM 2049 CB LYS A 127 7.136 -3.035 10.491 1.00 0.00 C ATOM 2050 CG LYS A 127 8.642 -3.257 10.275 1.00 0.00 C ATOM 2051 CD LYS A 127 9.135 -3.004 8.827 1.00 0.00 C ATOM 2052 CE LYS A 127 8.834 -4.165 7.852 1.00 0.00 C ATOM 2053 NZ LYS A 127 7.389 -4.419 7.601 1.00 0.00 N ATOM 0 H LYS A 127 4.787 -2.492 10.645 1.00 0.00 H new ATOM 0 HA LYS A 127 7.115 -1.157 11.548 1.00 0.00 H new ATOM 0 HB2 LYS A 127 6.837 -3.589 11.381 1.00 0.00 H new ATOM 0 HB3 LYS A 127 6.605 -3.476 9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 127 9.192 -2.602 10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 127 8.888 -4.282 10.554 1.00 0.00 H new ATOM 0 HD2 LYS A 127 8.669 -2.094 8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 127 10.210 -2.827 8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 127 9.321 -3.955 6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 127 9.284 -5.076 8.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 7.287 -5.106 6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.949 -4.800 8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 6.921 -3.528 7.338 1.00 0.00 H new ATOM 2067 N SER A 128 6.417 -0.929 8.402 1.00 0.00 N ATOM 2068 CA SER A 128 6.637 -0.205 7.196 1.00 0.00 C ATOM 2069 C SER A 128 6.246 1.292 7.359 1.00 0.00 C ATOM 2070 O SER A 128 6.888 2.171 6.787 1.00 0.00 O ATOM 2071 CB SER A 128 5.868 -0.925 6.116 1.00 0.00 C ATOM 2072 OG SER A 128 6.290 -2.290 6.104 1.00 0.00 O ATOM 0 H SER A 128 5.695 -1.645 8.323 1.00 0.00 H new ATOM 0 HA SER A 128 7.692 -0.178 6.924 1.00 0.00 H new ATOM 0 HB2 SER A 128 4.796 -0.860 6.304 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.050 -0.462 5.146 1.00 0.00 H new ATOM 0 HG SER A 128 6.995 -2.409 5.433 1.00 0.00 H new ATOM 2078 N GLU A 129 5.239 1.563 8.184 1.00 0.00 N ATOM 2079 CA GLU A 129 4.830 2.932 8.485 1.00 0.00 C ATOM 2080 C GLU A 129 5.892 3.616 9.318 1.00 0.00 C ATOM 2081 O GLU A 129 6.259 4.756 9.061 1.00 0.00 O ATOM 2082 CB GLU A 129 3.481 2.963 9.216 1.00 0.00 C ATOM 2083 CG GLU A 129 3.034 4.359 9.556 1.00 0.00 C ATOM 2084 CD GLU A 129 1.746 4.404 10.318 1.00 0.00 C ATOM 2085 OE1 GLU A 129 1.785 4.363 11.567 1.00 0.00 O ATOM 2086 OE2 GLU A 129 0.676 4.502 9.700 1.00 0.00 O ATOM 0 H GLU A 129 4.688 0.848 8.659 1.00 0.00 H new ATOM 0 HA GLU A 129 4.712 3.466 7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.724 2.486 8.593 1.00 0.00 H new ATOM 0 HB3 GLU A 129 3.556 2.377 10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.811 4.848 10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 129 2.922 4.931 8.635 1.00 0.00 H new ATOM 2093 N ALA A 130 6.386 2.903 10.305 1.00 0.00 N ATOM 2094 CA ALA A 130 7.458 3.385 11.178 1.00 0.00 C ATOM 2095 C ALA A 130 8.712 3.714 10.360 1.00 0.00 C ATOM 2096 O ALA A 130 9.467 4.641 10.692 1.00 0.00 O ATOM 2097 CB ALA A 130 7.775 2.353 12.248 1.00 0.00 C ATOM 0 H ALA A 130 6.060 1.964 10.535 1.00 0.00 H new ATOM 0 HA ALA A 130 7.119 4.298 11.668 1.00 0.00 H new ATOM 0 HB1 ALA A 130 8.574 2.727 12.889 1.00 0.00 H new ATOM 0 HB2 ALA A 130 6.885 2.167 12.849 1.00 0.00 H new ATOM 0 HB3 ALA A 130 8.094 1.424 11.775 1.00 0.00 H new ATOM 2103 N GLN A 131 8.895 2.970 9.276 1.00 0.00 N ATOM 2104 CA GLN A 131 9.995 3.169 8.351 1.00 0.00 C ATOM 2105 C GLN A 131 9.785 4.523 7.665 1.00 0.00 C ATOM 2106 O GLN A 131 10.685 5.348 7.580 1.00 0.00 O ATOM 2107 CB GLN A 131 9.981 2.028 7.297 1.00 0.00 C ATOM 2108 CG GLN A 131 11.331 1.683 6.651 1.00 0.00 C ATOM 2109 CD GLN A 131 11.977 2.782 5.815 1.00 0.00 C ATOM 2110 OE1 GLN A 131 13.202 2.872 5.768 1.00 0.00 O ATOM 2111 NE2 GLN A 131 11.199 3.560 5.092 1.00 0.00 N ATOM 0 H GLN A 131 8.275 2.204 9.015 1.00 0.00 H new ATOM 0 HA GLN A 131 10.954 3.156 8.869 1.00 0.00 H new ATOM 0 HB2 GLN A 131 9.589 1.128 7.771 1.00 0.00 H new ATOM 0 HB3 GLN A 131 9.283 2.301 6.506 1.00 0.00 H new ATOM 0 HG2 GLN A 131 12.027 1.400 7.441 1.00 0.00 H new ATOM 0 HG3 GLN A 131 11.194 0.807 6.018 1.00 0.00 H new ATOM 0 HE21 GLN A 131 10.185 3.464 5.151 1.00 0.00 H new ATOM 0 HE22 GLN A 131 11.610 4.259 4.473 1.00 0.00 H new ATOM 2120 N ALA A 132 8.577 4.750 7.219 1.00 0.00 N ATOM 2121 CA ALA A 132 8.232 5.975 6.543 1.00 0.00 C ATOM 2122 C ALA A 132 8.289 7.172 7.490 1.00 0.00 C ATOM 2123 O ALA A 132 8.684 8.282 7.092 1.00 0.00 O ATOM 2124 CB ALA A 132 6.875 5.847 5.906 1.00 0.00 C ATOM 0 H ALA A 132 7.804 4.091 7.314 1.00 0.00 H new ATOM 0 HA ALA A 132 8.968 6.153 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.623 6.777 5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 132 6.888 5.031 5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 132 6.130 5.640 6.675 1.00 0.00 H new ATOM 2130 N LYS A 133 7.902 6.944 8.738 1.00 0.00 N ATOM 2131 CA LYS A 133 7.948 7.954 9.761 1.00 0.00 C ATOM 2132 C LYS A 133 9.373 8.395 10.059 1.00 0.00 C ATOM 2133 O LYS A 133 9.621 9.585 10.248 1.00 0.00 O ATOM 2134 CB LYS A 133 7.302 7.464 11.051 1.00 0.00 C ATOM 2135 CG LYS A 133 5.792 7.315 11.019 1.00 0.00 C ATOM 2136 CD LYS A 133 5.258 7.027 12.416 1.00 0.00 C ATOM 2137 CE LYS A 133 3.736 6.946 12.451 1.00 0.00 C ATOM 2138 NZ LYS A 133 3.204 6.860 13.834 1.00 0.00 N ATOM 0 H LYS A 133 7.547 6.044 9.061 1.00 0.00 H new ATOM 0 HA LYS A 133 7.389 8.807 9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 133 7.738 6.499 11.310 1.00 0.00 H new ATOM 0 HB3 LYS A 133 7.563 8.156 11.851 1.00 0.00 H new ATOM 0 HG2 LYS A 133 5.338 8.227 10.630 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.514 6.507 10.343 1.00 0.00 H new ATOM 0 HD2 LYS A 133 5.678 6.088 12.776 1.00 0.00 H new ATOM 0 HD3 LYS A 133 5.593 7.808 13.098 1.00 0.00 H new ATOM 0 HE2 LYS A 133 3.317 7.823 11.958 1.00 0.00 H new ATOM 0 HE3 LYS A 133 3.408 6.075 11.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 2.166 6.807 13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 3.581 6.009 14.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 3.492 7.703 14.370 1.00 0.00 H new ATOM 2152 N LYS A 134 10.305 7.441 10.087 1.00 0.00 N ATOM 2153 CA LYS A 134 11.697 7.749 10.432 1.00 0.00 C ATOM 2154 C LYS A 134 12.375 8.576 9.346 1.00 0.00 C ATOM 2155 O LYS A 134 13.248 9.398 9.643 1.00 0.00 O ATOM 2156 CB LYS A 134 12.546 6.477 10.732 1.00 0.00 C ATOM 2157 CG LYS A 134 12.892 5.626 9.523 1.00 0.00 C ATOM 2158 CD LYS A 134 13.817 4.470 9.860 1.00 0.00 C ATOM 2159 CE LYS A 134 14.166 3.687 8.601 1.00 0.00 C ATOM 2160 NZ LYS A 134 15.115 2.584 8.855 1.00 0.00 N ATOM 0 H LYS A 134 10.126 6.459 9.878 1.00 0.00 H new ATOM 0 HA LYS A 134 11.648 8.336 11.349 1.00 0.00 H new ATOM 0 HB2 LYS A 134 13.473 6.785 11.216 1.00 0.00 H new ATOM 0 HB3 LYS A 134 12.003 5.859 11.447 1.00 0.00 H new ATOM 0 HG2 LYS A 134 11.974 5.234 9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 134 13.363 6.253 8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 134 14.727 4.848 10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 134 13.338 3.812 10.585 1.00 0.00 H new ATOM 0 HE2 LYS A 134 13.252 3.281 8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 134 14.595 4.366 7.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.316 2.087 7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 15.999 2.969 9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 14.699 1.918 9.537 1.00 0.00 H new ATOM 2174 N GLU A 135 11.979 8.358 8.094 1.00 0.00 N ATOM 2175 CA GLU A 135 12.590 9.072 6.984 1.00 0.00 C ATOM 2176 C GLU A 135 11.811 10.348 6.690 1.00 0.00 C ATOM 2177 O GLU A 135 12.286 11.223 5.969 1.00 0.00 O ATOM 2178 CB GLU A 135 12.658 8.189 5.727 1.00 0.00 C ATOM 2179 CG GLU A 135 13.353 6.852 5.931 1.00 0.00 C ATOM 2180 CD GLU A 135 13.618 6.115 4.631 1.00 0.00 C ATOM 2181 OE1 GLU A 135 12.671 5.641 3.975 1.00 0.00 O ATOM 2182 OE2 GLU A 135 14.809 6.022 4.231 1.00 0.00 O ATOM 0 H GLU A 135 11.246 7.700 7.828 1.00 0.00 H new ATOM 0 HA GLU A 135 13.609 9.334 7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 135 11.644 8.006 5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 135 13.177 8.738 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.298 7.016 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 135 12.740 6.225 6.579 1.00 0.00 H new ATOM 2189 N LYS A 136 10.621 10.442 7.289 1.00 0.00 N ATOM 2190 CA LYS A 136 9.721 11.583 7.146 1.00 0.00 C ATOM 2191 C LYS A 136 9.399 11.829 5.681 1.00 0.00 C ATOM 2192 O LYS A 136 9.598 12.928 5.135 1.00 0.00 O ATOM 2193 CB LYS A 136 10.241 12.832 7.863 1.00 0.00 C ATOM 2194 CG LYS A 136 10.620 12.554 9.311 1.00 0.00 C ATOM 2195 CD LYS A 136 10.968 13.805 10.084 1.00 0.00 C ATOM 2196 CE LYS A 136 9.742 14.642 10.388 1.00 0.00 C ATOM 2197 NZ LYS A 136 10.080 15.839 11.180 1.00 0.00 N ATOM 0 H LYS A 136 10.252 9.712 7.898 1.00 0.00 H new ATOM 0 HA LYS A 136 8.785 11.336 7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 136 11.110 13.218 7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 136 9.478 13.609 7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 136 9.792 12.047 9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 136 11.470 11.872 9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 136 11.460 13.530 11.017 1.00 0.00 H new ATOM 0 HD3 LYS A 136 11.680 14.399 9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 136 9.268 14.945 9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 136 9.016 14.039 10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 9.216 16.386 11.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 10.509 15.549 12.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 10.754 16.427 10.649 1.00 0.00 H new ATOM 2211 N LEU A 137 8.969 10.754 5.046 1.00 0.00 N ATOM 2212 CA LEU A 137 8.621 10.721 3.634 1.00 0.00 C ATOM 2213 C LEU A 137 7.376 11.576 3.357 1.00 0.00 C ATOM 2214 O LEU A 137 6.856 12.168 4.270 1.00 0.00 O ATOM 2215 CB LEU A 137 8.450 9.263 3.216 1.00 0.00 C ATOM 2216 CG LEU A 137 9.718 8.416 3.423 1.00 0.00 C ATOM 2217 CD1 LEU A 137 9.439 6.948 3.263 1.00 0.00 C ATOM 2218 CD2 LEU A 137 10.798 8.830 2.448 1.00 0.00 C ATOM 0 H LEU A 137 8.848 9.854 5.510 1.00 0.00 H new ATOM 0 HA LEU A 137 9.417 11.159 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 137 7.631 8.823 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 137 8.164 9.225 2.165 1.00 0.00 H new ATOM 0 HG LEU A 137 10.059 8.592 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 137 10.359 6.384 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 137 8.696 6.637 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 137 9.060 6.757 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 137 11.687 8.220 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 137 10.441 8.688 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 137 11.045 9.880 2.603 1.00 0.00 H new ATOM 2230 N ASN A 138 6.886 11.584 2.114 1.00 0.00 N ATOM 2231 CA ASN A 138 5.817 12.534 1.647 1.00 0.00 C ATOM 2232 C ASN A 138 4.716 12.895 2.671 1.00 0.00 C ATOM 2233 O ASN A 138 4.548 14.076 2.983 1.00 0.00 O ATOM 2234 CB ASN A 138 5.209 12.152 0.272 1.00 0.00 C ATOM 2235 CG ASN A 138 4.385 10.882 0.259 1.00 0.00 C ATOM 2236 OD1 ASN A 138 3.187 10.915 0.457 1.00 0.00 O ATOM 2237 ND2 ASN A 138 5.010 9.763 0.004 1.00 0.00 N ATOM 0 H ASN A 138 7.204 10.942 1.388 1.00 0.00 H new ATOM 0 HA ASN A 138 6.381 13.458 1.523 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.583 12.975 -0.071 1.00 0.00 H new ATOM 0 HB3 ASN A 138 6.020 12.047 -0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.491 8.886 -0.033 1.00 0.00 H new ATOM 0 HD22 ASN A 138 6.017 9.767 -0.158 1.00 0.00 H new ATOM 2244 N ILE A 139 4.005 11.926 3.235 1.00 0.00 N ATOM 2245 CA ILE A 139 2.943 12.285 4.182 1.00 0.00 C ATOM 2246 C ILE A 139 3.471 12.529 5.607 1.00 0.00 C ATOM 2247 O ILE A 139 2.786 13.104 6.441 1.00 0.00 O ATOM 2248 CB ILE A 139 1.758 11.276 4.222 1.00 0.00 C ATOM 2249 CG1 ILE A 139 2.228 9.883 4.666 1.00 0.00 C ATOM 2250 CG2 ILE A 139 1.050 11.224 2.874 1.00 0.00 C ATOM 2251 CD1 ILE A 139 1.130 8.841 4.718 1.00 0.00 C ATOM 0 H ILE A 139 4.130 10.928 3.068 1.00 0.00 H new ATOM 0 HA ILE A 139 2.552 13.224 3.790 1.00 0.00 H new ATOM 0 HB ILE A 139 1.039 11.626 4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.006 9.540 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 139 2.683 9.964 5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 139 0.225 10.513 2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 139 0.663 12.213 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 139 1.755 10.909 2.105 1.00 0.00 H new ATOM 0 HD11 ILE A 139 1.548 7.888 5.041 1.00 0.00 H new ATOM 0 HD12 ILE A 139 0.361 9.157 5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 139 0.689 8.727 3.728 1.00 0.00 H new ATOM 2263 N TRP A 140 4.694 12.132 5.861 1.00 0.00 N ATOM 2264 CA TRP A 140 5.289 12.245 7.190 1.00 0.00 C ATOM 2265 C TRP A 140 6.192 13.455 7.276 1.00 0.00 C ATOM 2266 O TRP A 140 6.780 13.753 8.328 1.00 0.00 O ATOM 2267 CB TRP A 140 6.057 10.972 7.534 1.00 0.00 C ATOM 2268 CG TRP A 140 5.181 9.775 7.515 1.00 0.00 C ATOM 2269 CD1 TRP A 140 5.182 8.770 6.600 1.00 0.00 C ATOM 2270 CD2 TRP A 140 4.131 9.491 8.429 1.00 0.00 C ATOM 2271 NE1 TRP A 140 4.211 7.851 6.911 1.00 0.00 N ATOM 2272 CE2 TRP A 140 3.548 8.280 8.030 1.00 0.00 C ATOM 2273 CE3 TRP A 140 3.634 10.145 9.561 1.00 0.00 C ATOM 2274 CZ2 TRP A 140 2.494 7.713 8.718 1.00 0.00 C ATOM 2275 CZ3 TRP A 140 2.584 9.580 10.241 1.00 0.00 C ATOM 2276 CH2 TRP A 140 2.025 8.375 9.818 1.00 0.00 C ATOM 0 H TRP A 140 5.312 11.721 5.161 1.00 0.00 H new ATOM 0 HA TRP A 140 4.487 12.374 7.917 1.00 0.00 H new ATOM 0 HB2 TRP A 140 6.872 10.837 6.823 1.00 0.00 H new ATOM 0 HB3 TRP A 140 6.508 11.076 8.521 1.00 0.00 H new ATOM 0 HD1 TRP A 140 5.849 8.704 5.753 1.00 0.00 H new ATOM 0 HE1 TRP A 140 4.016 6.993 6.395 1.00 0.00 H new ATOM 0 HE3 TRP A 140 4.068 11.076 9.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 2.055 6.779 8.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.186 10.075 11.114 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.200 7.954 10.374 1.00 0.00 H new ATOM 2287 N SER A 141 6.317 14.122 6.168 1.00 0.00 N ATOM 2288 CA SER A 141 7.080 15.312 6.064 1.00 0.00 C ATOM 2289 C SER A 141 6.265 16.446 6.644 1.00 0.00 C ATOM 2290 O SER A 141 5.158 16.732 6.172 1.00 0.00 O ATOM 2291 CB SER A 141 7.424 15.568 4.584 1.00 0.00 C ATOM 2292 OG SER A 141 8.202 16.744 4.405 1.00 0.00 O ATOM 0 H SER A 141 5.876 13.839 5.293 1.00 0.00 H new ATOM 0 HA SER A 141 8.016 15.228 6.616 1.00 0.00 H new ATOM 0 HB2 SER A 141 7.968 14.711 4.187 1.00 0.00 H new ATOM 0 HB3 SER A 141 6.502 15.654 4.009 1.00 0.00 H new ATOM 0 HG SER A 141 8.397 16.865 3.452 1.00 0.00 H new