USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 830 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 72 ASN : amide:sc= 0 X(o=-5,f=-4.7) USER MOD Set 1.2: A 78 ASN : amide:sc= -4.99! C(o=-5!,f=-8.5!) USER MOD Set 2.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 19 SER OG : rot -173:sc= 0.113 USER MOD Set 2.3: A 66 TYR OH : rot -130:sc= -2.41! USER MOD Single : A 11 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.96) USER MOD Single : A 14 GLN : amide:sc= -1.53! C(o=-1.5!,f=-2.7!) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -145:sc= -3.24! (180deg=-6.62!) USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= -0.315 (180deg=-1.1) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 140:sc= 0.00222 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 153:sc= -0.204 (180deg=-1.14) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 82:sc= 0.0456 USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= -0.0809 (180deg=-0.432) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 62:sc= 0.192 USER MOD Single : A 61 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.804) USER MOD Single : A 62 TYR OH : rot 80:sc= -0.463 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.636 K(o=-0.64,f=-2.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 93:sc= 0.949 USER MOD Single : A 70 MET CE :methyl 179:sc= -5.4! (180deg=-5.4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.943 K(o=-0.94,f=0.72) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0591 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -9.055 15.853 1.127 1.00 0.00 N ATOM 78 CA ALA A 9 -7.887 15.030 0.839 1.00 0.00 C ATOM 79 C ALA A 9 -7.780 13.866 1.818 1.00 0.00 C ATOM 80 O ALA A 9 -7.466 12.741 1.427 1.00 0.00 O ATOM 81 CB ALA A 9 -6.623 15.876 0.882 1.00 0.00 C ATOM 0 HA ALA A 9 -8.002 14.617 -0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.758 15.249 0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.691 16.670 0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.513 16.316 1.873 1.00 0.00 H new ATOM 87 N ASP A 10 -8.042 14.143 3.090 1.00 0.00 N ATOM 88 CA ASP A 10 -7.976 13.118 4.125 1.00 0.00 C ATOM 89 C ASP A 10 -8.829 11.910 3.750 1.00 0.00 C ATOM 90 O ASP A 10 -8.409 10.766 3.919 1.00 0.00 O ATOM 91 CB ASP A 10 -8.438 13.687 5.467 1.00 0.00 C ATOM 92 CG ASP A 10 -7.756 14.998 5.807 1.00 0.00 C ATOM 93 OD1 ASP A 10 -8.001 15.995 5.096 1.00 0.00 O ATOM 94 OD2 ASP A 10 -6.976 15.026 6.782 1.00 0.00 O ATOM 0 H ASP A 10 -8.302 15.069 3.430 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.939 12.794 4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.517 13.838 5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.236 12.961 6.255 1.00 0.00 H new ATOM 99 N GLN A 11 -10.028 12.175 3.241 1.00 0.00 N ATOM 100 CA GLN A 11 -10.940 11.109 2.843 1.00 0.00 C ATOM 101 C GLN A 11 -10.352 10.286 1.702 1.00 0.00 C ATOM 102 O GLN A 11 -10.299 9.058 1.772 1.00 0.00 O ATOM 103 CB GLN A 11 -12.289 11.694 2.423 1.00 0.00 C ATOM 104 CG GLN A 11 -13.249 11.905 3.583 1.00 0.00 C ATOM 105 CD GLN A 11 -13.749 10.600 4.171 1.00 0.00 C ATOM 106 OE1 GLN A 11 -13.855 9.592 3.473 1.00 0.00 O ATOM 107 NE2 GLN A 11 -14.059 10.613 5.462 1.00 0.00 N ATOM 0 H GLN A 11 -10.390 13.117 3.095 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.087 10.453 3.701 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.122 12.648 1.923 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.753 11.029 1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.751 12.483 4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.100 12.496 3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.956 11.472 6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.401 9.764 5.913 1.00 0.00 H new ATOM 116 N ILE A 12 -9.911 10.971 0.652 1.00 0.00 N ATOM 117 CA ILE A 12 -9.326 10.302 -0.504 1.00 0.00 C ATOM 118 C ILE A 12 -8.240 9.319 -0.079 1.00 0.00 C ATOM 119 O ILE A 12 -8.330 8.123 -0.354 1.00 0.00 O ATOM 120 CB ILE A 12 -8.725 11.316 -1.496 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.801 12.292 -1.975 1.00 0.00 C ATOM 122 CG2 ILE A 12 -8.095 10.592 -2.676 1.00 0.00 C ATOM 123 CD1 ILE A 12 -9.250 13.458 -2.766 1.00 0.00 C ATOM 0 H ILE A 12 -9.948 11.988 0.578 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.133 9.758 -0.996 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.947 11.884 -0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.521 11.753 -2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.344 12.674 -1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.675 11.322 -3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.304 9.933 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.855 10.002 -3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.069 14.109 -3.073 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.552 14.021 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.731 13.086 -3.649 1.00 0.00 H new ATOM 135 N ARG A 13 -7.215 9.833 0.593 1.00 0.00 N ATOM 136 CA ARG A 13 -6.112 9.000 1.057 1.00 0.00 C ATOM 137 C ARG A 13 -6.627 7.823 1.879 1.00 0.00 C ATOM 138 O ARG A 13 -6.258 6.674 1.635 1.00 0.00 O ATOM 139 CB ARG A 13 -5.134 9.830 1.891 1.00 0.00 C ATOM 140 CG ARG A 13 -4.580 11.039 1.157 1.00 0.00 C ATOM 141 CD ARG A 13 -3.643 11.847 2.041 1.00 0.00 C ATOM 142 NE ARG A 13 -4.352 12.494 3.142 1.00 0.00 N ATOM 143 CZ ARG A 13 -3.778 13.345 3.986 1.00 0.00 C ATOM 144 NH1 ARG A 13 -2.495 13.649 3.856 1.00 0.00 N ATOM 145 NH2 ARG A 13 -4.490 13.893 4.963 1.00 0.00 N ATOM 0 H ARG A 13 -7.125 10.821 0.828 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.592 8.609 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.637 10.166 2.798 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.305 9.194 2.203 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.047 10.711 0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.402 11.672 0.823 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.869 11.193 2.443 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.140 12.604 1.439 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.341 12.281 3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.945 13.230 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.057 14.303 4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.478 13.661 5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.049 14.546 5.611 1.00 0.00 H new ATOM 159 N GLN A 14 -7.481 8.117 2.854 1.00 0.00 N ATOM 160 CA GLN A 14 -8.046 7.083 3.713 1.00 0.00 C ATOM 161 C GLN A 14 -8.638 5.949 2.882 1.00 0.00 C ATOM 162 O GLN A 14 -8.317 4.780 3.092 1.00 0.00 O ATOM 163 CB GLN A 14 -9.121 7.678 4.624 1.00 0.00 C ATOM 164 CG GLN A 14 -9.249 6.964 5.960 1.00 0.00 C ATOM 165 CD GLN A 14 -8.336 7.542 7.022 1.00 0.00 C ATOM 166 OE1 GLN A 14 -7.236 8.010 6.724 1.00 0.00 O ATOM 167 NE2 GLN A 14 -8.786 7.514 8.271 1.00 0.00 N ATOM 0 H GLN A 14 -7.797 9.063 3.069 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.242 6.678 4.328 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.893 8.729 4.803 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.081 7.644 4.110 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.282 7.025 6.302 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.020 5.907 5.826 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.703 7.117 8.474 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.214 7.889 9.028 1.00 0.00 H new ATOM 176 N SER A 15 -9.504 6.304 1.938 1.00 0.00 N ATOM 177 CA SER A 15 -10.145 5.315 1.079 1.00 0.00 C ATOM 178 C SER A 15 -9.109 4.384 0.456 1.00 0.00 C ATOM 179 O SER A 15 -9.280 3.165 0.445 1.00 0.00 O ATOM 180 CB SER A 15 -10.949 6.010 -0.022 1.00 0.00 C ATOM 181 OG SER A 15 -11.818 5.098 -0.671 1.00 0.00 O ATOM 0 H SER A 15 -9.778 7.268 1.749 1.00 0.00 H new ATOM 0 HA SER A 15 -10.821 4.720 1.693 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.529 6.827 0.407 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.269 6.450 -0.751 1.00 0.00 H new ATOM 0 HG SER A 15 -12.322 5.566 -1.369 1.00 0.00 H new ATOM 187 N VAL A 16 -8.032 4.968 -0.061 1.00 0.00 N ATOM 188 CA VAL A 16 -6.967 4.192 -0.685 1.00 0.00 C ATOM 189 C VAL A 16 -6.588 2.990 0.174 1.00 0.00 C ATOM 190 O VAL A 16 -6.501 1.865 -0.319 1.00 0.00 O ATOM 191 CB VAL A 16 -5.713 5.053 -0.926 1.00 0.00 C ATOM 192 CG1 VAL A 16 -4.600 4.215 -1.536 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.046 6.241 -1.815 1.00 0.00 C ATOM 0 H VAL A 16 -7.874 5.976 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.349 3.843 -1.645 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.364 5.434 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.722 4.840 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.345 3.400 -0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.935 3.803 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.149 6.839 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.420 5.884 -2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.809 6.853 -1.334 1.00 0.00 H new ATOM 203 N ARG A 17 -6.364 3.236 1.460 1.00 0.00 N ATOM 204 CA ARG A 17 -5.993 2.174 2.388 1.00 0.00 C ATOM 205 C ARG A 17 -6.986 1.017 2.314 1.00 0.00 C ATOM 206 O ARG A 17 -6.650 -0.074 1.853 1.00 0.00 O ATOM 207 CB ARG A 17 -5.930 2.715 3.817 1.00 0.00 C ATOM 208 CG ARG A 17 -4.908 3.825 4.004 1.00 0.00 C ATOM 209 CD ARG A 17 -4.429 3.905 5.445 1.00 0.00 C ATOM 210 NE ARG A 17 -5.293 4.751 6.263 1.00 0.00 N ATOM 211 CZ ARG A 17 -5.299 4.729 7.591 1.00 0.00 C ATOM 212 NH1 ARG A 17 -4.492 3.907 8.247 1.00 0.00 N ATOM 213 NH2 ARG A 17 -6.114 5.530 8.265 1.00 0.00 N ATOM 0 H ARG A 17 -6.433 4.161 1.884 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.008 1.804 2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.915 3.088 4.099 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.693 1.896 4.496 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.057 3.652 3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.348 4.779 3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.394 2.903 5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.412 4.296 5.468 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.927 5.394 5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.865 3.289 7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.499 3.892 9.267 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.737 6.163 7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.118 5.512 9.285 1.00 0.00 H new ATOM 227 N HIS A 18 -8.209 1.263 2.773 1.00 0.00 N ATOM 228 CA HIS A 18 -9.250 0.242 2.759 1.00 0.00 C ATOM 229 C HIS A 18 -9.413 -0.350 1.362 1.00 0.00 C ATOM 230 O HIS A 18 -9.217 -1.548 1.158 1.00 0.00 O ATOM 231 CB HIS A 18 -10.579 0.832 3.233 1.00 0.00 C ATOM 232 CG HIS A 18 -11.698 -0.163 3.266 1.00 0.00 C ATOM 233 ND1 HIS A 18 -12.629 -0.283 2.256 1.00 0.00 N ATOM 234 CD2 HIS A 18 -12.032 -1.089 4.195 1.00 0.00 C ATOM 235 CE1 HIS A 18 -13.488 -1.238 2.563 1.00 0.00 C ATOM 236 NE2 HIS A 18 -13.148 -1.744 3.735 1.00 0.00 N ATOM 0 H HIS A 18 -8.503 2.160 3.159 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.951 -0.555 3.440 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.446 1.250 4.231 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.856 1.656 2.576 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -11.517 -1.278 5.125 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.326 -1.552 1.959 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -13.635 -2.498 4.219 1.00 0.00 H new ATOM 245 N SER A 19 -9.771 0.498 0.403 1.00 0.00 N ATOM 246 CA SER A 19 -9.964 0.058 -0.974 1.00 0.00 C ATOM 247 C SER A 19 -8.951 -1.019 -1.347 1.00 0.00 C ATOM 248 O SER A 19 -9.318 -2.095 -1.823 1.00 0.00 O ATOM 249 CB SER A 19 -9.840 1.244 -1.932 1.00 0.00 C ATOM 250 OG SER A 19 -11.092 1.882 -2.118 1.00 0.00 O ATOM 0 H SER A 19 -9.933 1.494 0.554 1.00 0.00 H new ATOM 0 HA SER A 19 -10.965 -0.365 -1.058 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.118 1.960 -1.538 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.457 0.901 -2.893 1.00 0.00 H new ATOM 0 HG SER A 19 -11.010 2.566 -2.815 1.00 0.00 H new ATOM 256 N LEU A 20 -7.675 -0.724 -1.127 1.00 0.00 N ATOM 257 CA LEU A 20 -6.606 -1.667 -1.439 1.00 0.00 C ATOM 258 C LEU A 20 -6.843 -3.007 -0.749 1.00 0.00 C ATOM 259 O LEU A 20 -6.958 -4.043 -1.403 1.00 0.00 O ATOM 260 CB LEU A 20 -5.253 -1.094 -1.014 1.00 0.00 C ATOM 261 CG LEU A 20 -4.700 0.035 -1.884 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.572 0.759 -1.165 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.220 -0.508 -3.222 1.00 0.00 C ATOM 0 H LEU A 20 -7.355 0.161 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.602 -1.830 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.341 -0.728 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.525 -1.905 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.502 0.749 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.191 1.559 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.947 1.182 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.769 0.055 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.830 0.310 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.433 -1.243 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.053 -0.980 -3.743 1.00 0.00 H new ATOM 275 N LYS A 21 -6.918 -2.978 0.578 1.00 0.00 N ATOM 276 CA LYS A 21 -7.145 -4.188 1.358 1.00 0.00 C ATOM 277 C LYS A 21 -8.297 -5.002 0.777 1.00 0.00 C ATOM 278 O LYS A 21 -8.166 -6.205 0.548 1.00 0.00 O ATOM 279 CB LYS A 21 -7.444 -3.831 2.816 1.00 0.00 C ATOM 280 CG LYS A 21 -7.224 -4.983 3.781 1.00 0.00 C ATOM 281 CD LYS A 21 -8.157 -4.894 4.977 1.00 0.00 C ATOM 282 CE LYS A 21 -8.025 -3.556 5.688 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.286 -3.166 6.377 1.00 0.00 N ATOM 0 H LYS A 21 -6.825 -2.129 1.135 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.239 -4.792 1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.813 -2.993 3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.478 -3.495 2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.384 -5.929 3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.189 -4.979 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.187 -5.032 4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.934 -5.701 5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.215 -3.610 6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.753 -2.786 4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.154 -2.249 6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.053 -3.089 5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.532 -3.887 7.085 1.00 0.00 H new ATOM 297 N ASP A 22 -9.423 -4.339 0.540 1.00 0.00 N ATOM 298 CA ASP A 22 -10.597 -5.001 -0.018 1.00 0.00 C ATOM 299 C ASP A 22 -10.189 -6.095 -1.000 1.00 0.00 C ATOM 300 O ASP A 22 -10.618 -7.243 -0.879 1.00 0.00 O ATOM 301 CB ASP A 22 -11.500 -3.983 -0.715 1.00 0.00 C ATOM 302 CG ASP A 22 -12.951 -4.420 -0.744 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.236 -5.495 -1.311 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.803 -3.686 -0.200 1.00 0.00 O ATOM 0 H ASP A 22 -9.548 -3.344 0.725 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.148 -5.461 0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.423 -3.023 -0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.149 -3.830 -1.736 1.00 0.00 H new ATOM 309 N ILE A 23 -9.360 -5.731 -1.972 1.00 0.00 N ATOM 310 CA ILE A 23 -8.895 -6.681 -2.975 1.00 0.00 C ATOM 311 C ILE A 23 -8.061 -7.787 -2.338 1.00 0.00 C ATOM 312 O ILE A 23 -8.417 -8.964 -2.404 1.00 0.00 O ATOM 313 CB ILE A 23 -8.059 -5.985 -4.065 1.00 0.00 C ATOM 314 CG1 ILE A 23 -8.967 -5.191 -5.006 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.246 -7.009 -4.843 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.232 -4.148 -5.818 1.00 0.00 C ATOM 0 H ILE A 23 -8.996 -4.785 -2.086 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.783 -7.117 -3.433 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.369 -5.291 -3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.467 -5.882 -5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.745 -4.702 -4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.660 -6.502 -5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.576 -7.534 -4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.919 -7.725 -5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.938 -3.624 -6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.755 -3.434 -5.147 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.472 -4.633 -6.431 1.00 0.00 H new ATOM 328 N LEU A 24 -6.950 -7.401 -1.721 1.00 0.00 N ATOM 329 CA LEU A 24 -6.064 -8.361 -1.070 1.00 0.00 C ATOM 330 C LEU A 24 -6.832 -9.219 -0.069 1.00 0.00 C ATOM 331 O LEU A 24 -6.360 -10.276 0.347 1.00 0.00 O ATOM 332 CB LEU A 24 -4.922 -7.630 -0.361 1.00 0.00 C ATOM 333 CG LEU A 24 -4.024 -6.767 -1.248 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.132 -5.875 -0.399 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.185 -7.641 -2.169 1.00 0.00 C ATOM 0 H LEU A 24 -6.641 -6.431 -1.657 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.649 -9.014 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.350 -6.995 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.299 -8.371 0.141 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.659 -6.130 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.500 -5.269 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.751 -5.223 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.505 -6.493 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.552 -7.010 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.559 -8.304 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.842 -8.236 -2.804 1.00 0.00 H new ATOM 347 N MET A 25 -8.019 -8.757 0.310 1.00 0.00 N ATOM 348 CA MET A 25 -8.854 -9.485 1.259 1.00 0.00 C ATOM 349 C MET A 25 -9.594 -10.626 0.568 1.00 0.00 C ATOM 350 O MET A 25 -9.667 -11.739 1.089 1.00 0.00 O ATOM 351 CB MET A 25 -9.856 -8.537 1.920 1.00 0.00 C ATOM 352 CG MET A 25 -9.311 -7.843 3.157 1.00 0.00 C ATOM 353 SD MET A 25 -9.620 -8.774 4.670 1.00 0.00 S ATOM 354 CE MET A 25 -7.971 -9.363 5.047 1.00 0.00 C ATOM 0 H MET A 25 -8.424 -7.883 -0.025 1.00 0.00 H new ATOM 0 HA MET A 25 -8.206 -9.909 2.026 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.162 -7.782 1.195 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.750 -9.099 2.192 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.238 -7.692 3.041 1.00 0.00 H new ATOM 0 HG3 MET A 25 -9.764 -6.855 3.244 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.032 -10.357 5.490 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.383 -9.409 4.131 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.493 -8.681 5.751 1.00 0.00 H new ATOM 364 N LYS A 26 -10.143 -10.342 -0.609 1.00 0.00 N ATOM 365 CA LYS A 26 -10.877 -11.344 -1.372 1.00 0.00 C ATOM 366 C LYS A 26 -9.926 -12.200 -2.202 1.00 0.00 C ATOM 367 O LYS A 26 -10.278 -13.300 -2.629 1.00 0.00 O ATOM 368 CB LYS A 26 -11.901 -10.668 -2.287 1.00 0.00 C ATOM 369 CG LYS A 26 -11.290 -10.043 -3.528 1.00 0.00 C ATOM 370 CD LYS A 26 -11.209 -11.039 -4.672 1.00 0.00 C ATOM 371 CE LYS A 26 -12.473 -11.022 -5.517 1.00 0.00 C ATOM 372 NZ LYS A 26 -13.551 -11.858 -4.920 1.00 0.00 N ATOM 0 H LYS A 26 -10.093 -9.426 -1.055 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.399 -11.991 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.646 -11.404 -2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.426 -9.897 -1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.886 -9.183 -3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.292 -9.672 -3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.348 -10.806 -5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.050 -12.041 -4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.826 -9.996 -5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.245 -11.385 -6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.212 -12.156 -5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.131 -12.698 -4.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.063 -11.304 -4.204 1.00 0.00 H new ATOM 386 N ARG A 27 -8.720 -11.689 -2.426 1.00 0.00 N ATOM 387 CA ARG A 27 -7.718 -12.408 -3.205 1.00 0.00 C ATOM 388 C ARG A 27 -6.956 -13.398 -2.329 1.00 0.00 C ATOM 389 O ARG A 27 -6.643 -14.510 -2.757 1.00 0.00 O ATOM 390 CB ARG A 27 -6.740 -11.424 -3.850 1.00 0.00 C ATOM 391 CG ARG A 27 -7.396 -10.473 -4.837 1.00 0.00 C ATOM 392 CD ARG A 27 -7.890 -11.207 -6.074 1.00 0.00 C ATOM 393 NE ARG A 27 -6.787 -11.682 -6.905 1.00 0.00 N ATOM 394 CZ ARG A 27 -6.936 -12.551 -7.899 1.00 0.00 C ATOM 395 NH1 ARG A 27 -8.137 -13.036 -8.184 1.00 0.00 N ATOM 396 NH2 ARG A 27 -5.884 -12.936 -8.609 1.00 0.00 N ATOM 0 H ARG A 27 -8.413 -10.780 -2.079 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.233 -12.964 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.253 -10.843 -3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.959 -11.985 -4.363 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.232 -9.967 -4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.683 -9.703 -5.130 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.507 -12.053 -5.771 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.526 -10.543 -6.660 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.851 -11.327 -6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.948 -12.742 -7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.250 -13.703 -8.947 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.959 -12.565 -8.392 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.000 -13.603 -9.372 1.00 0.00 H new ATOM 410 N LEU A 28 -6.660 -12.987 -1.101 1.00 0.00 N ATOM 411 CA LEU A 28 -5.934 -13.838 -0.164 1.00 0.00 C ATOM 412 C LEU A 28 -6.840 -14.932 0.392 1.00 0.00 C ATOM 413 O LEU A 28 -6.386 -16.039 0.687 1.00 0.00 O ATOM 414 CB LEU A 28 -5.366 -12.999 0.982 1.00 0.00 C ATOM 415 CG LEU A 28 -6.326 -12.699 2.134 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.510 -13.928 3.010 1.00 0.00 C ATOM 417 CD2 LEU A 28 -5.819 -11.525 2.959 1.00 0.00 C ATOM 0 H LEU A 28 -6.911 -12.070 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.112 -14.311 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.495 -13.515 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.014 -12.052 0.573 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.295 -12.430 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.196 -13.695 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.919 -14.743 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.547 -14.229 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.515 -11.326 3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.838 -11.765 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.740 -10.642 2.325 1.00 0.00 H new ATOM 429 N THR A 29 -8.124 -14.617 0.532 1.00 0.00 N ATOM 430 CA THR A 29 -9.093 -15.573 1.051 1.00 0.00 C ATOM 431 C THR A 29 -9.491 -16.587 -0.016 1.00 0.00 C ATOM 432 O THR A 29 -10.024 -17.652 0.295 1.00 0.00 O ATOM 433 CB THR A 29 -10.360 -14.865 1.567 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.009 -15.677 2.552 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.323 -14.578 0.424 1.00 0.00 C ATOM 0 H THR A 29 -8.517 -13.706 0.293 1.00 0.00 H new ATOM 0 HA THR A 29 -8.612 -16.092 1.880 1.00 0.00 H new ATOM 0 HB THR A 29 -10.062 -13.918 2.017 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.813 -15.219 2.876 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.210 -14.078 0.813 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.836 -13.935 -0.309 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.614 -15.515 -0.051 1.00 0.00 H new ATOM 443 N ASP A 30 -9.227 -16.250 -1.273 1.00 0.00 N ATOM 444 CA ASP A 30 -9.556 -17.133 -2.387 1.00 0.00 C ATOM 445 C ASP A 30 -8.375 -18.036 -2.731 1.00 0.00 C ATOM 446 O ASP A 30 -8.549 -19.222 -3.010 1.00 0.00 O ATOM 447 CB ASP A 30 -9.962 -16.313 -3.612 1.00 0.00 C ATOM 448 CG ASP A 30 -10.250 -17.183 -4.820 1.00 0.00 C ATOM 449 OD1 ASP A 30 -11.348 -17.775 -4.877 1.00 0.00 O ATOM 450 OD2 ASP A 30 -9.377 -17.272 -5.709 1.00 0.00 O ATOM 0 H ASP A 30 -8.786 -15.372 -1.547 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.395 -17.761 -2.086 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.847 -15.722 -3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.165 -15.610 -3.856 1.00 0.00 H new ATOM 455 N SER A 31 -7.175 -17.465 -2.712 1.00 0.00 N ATOM 456 CA SER A 31 -5.966 -18.217 -3.027 1.00 0.00 C ATOM 457 C SER A 31 -5.627 -19.195 -1.907 1.00 0.00 C ATOM 458 O SER A 31 -6.332 -19.273 -0.902 1.00 0.00 O ATOM 459 CB SER A 31 -4.793 -17.262 -3.259 1.00 0.00 C ATOM 460 OG SER A 31 -3.826 -17.842 -4.118 1.00 0.00 O ATOM 0 H SER A 31 -7.014 -16.484 -2.482 1.00 0.00 H new ATOM 0 HA SER A 31 -6.148 -18.786 -3.939 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.158 -16.331 -3.693 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.331 -17.009 -2.305 1.00 0.00 H new ATOM 0 HG SER A 31 -3.489 -17.162 -4.738 1.00 0.00 H new ATOM 466 N ASN A 32 -4.542 -19.940 -2.089 1.00 0.00 N ATOM 467 CA ASN A 32 -4.108 -20.915 -1.094 1.00 0.00 C ATOM 468 C ASN A 32 -3.253 -20.252 -0.019 1.00 0.00 C ATOM 469 O ASN A 32 -2.273 -20.828 0.454 1.00 0.00 O ATOM 470 CB ASN A 32 -3.320 -22.042 -1.765 1.00 0.00 C ATOM 471 CG ASN A 32 -4.023 -22.588 -2.993 1.00 0.00 C ATOM 472 OD1 ASN A 32 -3.776 -22.141 -4.113 1.00 0.00 O ATOM 473 ND2 ASN A 32 -4.904 -23.559 -2.787 1.00 0.00 N ATOM 0 H ASN A 32 -3.947 -19.888 -2.916 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.996 -21.333 -0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.334 -21.674 -2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.165 -22.849 -1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.408 -23.966 -3.575 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.077 -23.899 -1.841 1.00 0.00 H new ATOM 480 N LEU A 33 -3.631 -19.037 0.363 1.00 0.00 N ATOM 481 CA LEU A 33 -2.900 -18.294 1.384 1.00 0.00 C ATOM 482 C LEU A 33 -3.681 -18.255 2.693 1.00 0.00 C ATOM 483 O LEU A 33 -4.838 -17.836 2.726 1.00 0.00 O ATOM 484 CB LEU A 33 -2.618 -16.870 0.902 1.00 0.00 C ATOM 485 CG LEU A 33 -1.416 -16.701 -0.028 1.00 0.00 C ATOM 486 CD1 LEU A 33 -1.319 -15.266 -0.520 1.00 0.00 C ATOM 487 CD2 LEU A 33 -0.133 -17.113 0.678 1.00 0.00 C ATOM 0 H LEU A 33 -4.439 -18.545 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.954 -18.805 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.505 -16.500 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.468 -16.235 1.775 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.556 -17.350 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.458 -15.165 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.227 -15.006 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.203 -14.596 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.712 -16.986 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.013 -16.490 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.203 -18.158 0.979 1.00 0.00 H new ATOM 499 N LYS A 34 -3.040 -18.692 3.772 1.00 0.00 N ATOM 500 CA LYS A 34 -3.672 -18.704 5.086 1.00 0.00 C ATOM 501 C LYS A 34 -3.166 -17.548 5.944 1.00 0.00 C ATOM 502 O LYS A 34 -2.764 -17.743 7.091 1.00 0.00 O ATOM 503 CB LYS A 34 -3.401 -20.034 5.792 1.00 0.00 C ATOM 504 CG LYS A 34 -4.591 -20.558 6.578 1.00 0.00 C ATOM 505 CD LYS A 34 -4.545 -20.106 8.028 1.00 0.00 C ATOM 506 CE LYS A 34 -3.713 -21.052 8.880 1.00 0.00 C ATOM 507 NZ LYS A 34 -2.280 -20.647 8.919 1.00 0.00 N ATOM 0 H LYS A 34 -2.082 -19.043 3.762 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.747 -18.586 4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.111 -20.777 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.555 -19.911 6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.515 -20.209 6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.605 -21.647 6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.127 -19.101 8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.558 -20.052 8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.112 -21.074 9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.794 -22.064 8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.849 -20.982 9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.779 -21.066 8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.211 -19.610 8.870 1.00 0.00 H new ATOM 521 N VAL A 35 -3.191 -16.344 5.381 1.00 0.00 N ATOM 522 CA VAL A 35 -2.738 -15.157 6.095 1.00 0.00 C ATOM 523 C VAL A 35 -3.894 -14.476 6.819 1.00 0.00 C ATOM 524 O VAL A 35 -5.039 -14.493 6.366 1.00 0.00 O ATOM 525 CB VAL A 35 -2.077 -14.145 5.140 1.00 0.00 C ATOM 526 CG1 VAL A 35 -1.058 -14.839 4.250 1.00 0.00 C ATOM 527 CG2 VAL A 35 -3.131 -13.435 4.305 1.00 0.00 C ATOM 0 H VAL A 35 -3.520 -16.165 4.432 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.001 -15.490 6.826 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.554 -13.397 5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.601 -14.109 3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.287 -15.297 4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.555 -15.609 3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.647 -12.724 3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.684 -14.168 3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.819 -12.904 4.963 1.00 0.00 H new ATOM 537 N PRO A 36 -3.591 -13.860 7.971 1.00 0.00 N ATOM 538 CA PRO A 36 -4.591 -13.160 8.782 1.00 0.00 C ATOM 539 C PRO A 36 -5.085 -11.881 8.116 1.00 0.00 C ATOM 540 O PRO A 36 -4.513 -11.426 7.126 1.00 0.00 O ATOM 541 CB PRO A 36 -3.836 -12.834 10.073 1.00 0.00 C ATOM 542 CG PRO A 36 -2.402 -12.787 9.672 1.00 0.00 C ATOM 543 CD PRO A 36 -2.247 -13.800 8.571 1.00 0.00 C ATOM 0 HA PRO A 36 -5.486 -13.763 8.936 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.161 -11.882 10.492 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.009 -13.594 10.835 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.126 -11.791 9.327 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.753 -13.024 10.515 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.496 -13.492 7.844 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.936 -14.770 8.958 1.00 0.00 H new ATOM 551 N GLU A 37 -6.151 -11.306 8.665 1.00 0.00 N ATOM 552 CA GLU A 37 -6.721 -10.079 8.122 1.00 0.00 C ATOM 553 C GLU A 37 -5.779 -8.899 8.340 1.00 0.00 C ATOM 554 O GLU A 37 -5.818 -7.916 7.600 1.00 0.00 O ATOM 555 CB GLU A 37 -8.077 -9.790 8.770 1.00 0.00 C ATOM 556 CG GLU A 37 -8.586 -8.382 8.515 1.00 0.00 C ATOM 557 CD GLU A 37 -10.014 -8.183 8.985 1.00 0.00 C ATOM 558 OE1 GLU A 37 -10.239 -8.193 10.214 1.00 0.00 O ATOM 559 OE2 GLU A 37 -10.905 -8.017 8.127 1.00 0.00 O ATOM 0 H GLU A 37 -6.637 -11.670 9.485 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.861 -10.217 7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.809 -10.505 8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.998 -9.949 9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.938 -7.668 9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.525 -8.165 7.448 1.00 0.00 H new ATOM 566 N GLU A 38 -4.935 -9.003 9.361 1.00 0.00 N ATOM 567 CA GLU A 38 -3.984 -7.944 9.677 1.00 0.00 C ATOM 568 C GLU A 38 -2.944 -7.798 8.570 1.00 0.00 C ATOM 569 O GLU A 38 -2.489 -6.694 8.270 1.00 0.00 O ATOM 570 CB GLU A 38 -3.289 -8.232 11.010 1.00 0.00 C ATOM 571 CG GLU A 38 -2.885 -6.979 11.769 1.00 0.00 C ATOM 572 CD GLU A 38 -4.012 -6.423 12.618 1.00 0.00 C ATOM 573 OE1 GLU A 38 -4.436 -7.113 13.568 1.00 0.00 O ATOM 574 OE2 GLU A 38 -4.469 -5.297 12.332 1.00 0.00 O ATOM 0 H GLU A 38 -4.890 -9.810 9.984 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.537 -7.008 9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.954 -8.827 11.636 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.401 -8.836 10.824 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.031 -7.205 12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.560 -6.218 11.060 1.00 0.00 H new ATOM 581 N LYS A 39 -2.571 -8.921 7.965 1.00 0.00 N ATOM 582 CA LYS A 39 -1.585 -8.922 6.891 1.00 0.00 C ATOM 583 C LYS A 39 -1.900 -7.839 5.863 1.00 0.00 C ATOM 584 O LYS A 39 -1.178 -6.850 5.749 1.00 0.00 O ATOM 585 CB LYS A 39 -1.544 -10.291 6.209 1.00 0.00 C ATOM 586 CG LYS A 39 -0.824 -10.283 4.872 1.00 0.00 C ATOM 587 CD LYS A 39 0.682 -10.178 5.050 1.00 0.00 C ATOM 588 CE LYS A 39 1.141 -8.728 5.065 1.00 0.00 C ATOM 589 NZ LYS A 39 2.591 -8.610 5.383 1.00 0.00 N ATOM 0 H LYS A 39 -2.937 -9.843 8.201 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.609 -8.712 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.053 -11.003 6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.564 -10.644 6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.064 -11.194 4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.180 -9.446 4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.974 -10.663 5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.183 -10.711 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.944 -8.274 4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.561 -8.171 5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.866 -7.607 5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.775 -9.020 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.146 -9.120 4.667 1.00 0.00 H new ATOM 603 N ALA A 40 -2.984 -8.033 5.119 1.00 0.00 N ATOM 604 CA ALA A 40 -3.396 -7.072 4.104 1.00 0.00 C ATOM 605 C ALA A 40 -3.537 -5.674 4.697 1.00 0.00 C ATOM 606 O ALA A 40 -2.833 -4.747 4.298 1.00 0.00 O ATOM 607 CB ALA A 40 -4.705 -7.510 3.463 1.00 0.00 C ATOM 0 H ALA A 40 -3.593 -8.847 5.200 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.622 -7.037 3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.001 -6.783 2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.573 -8.486 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.480 -7.575 4.227 1.00 0.00 H new ATOM 613 N ALA A 41 -4.451 -5.530 5.651 1.00 0.00 N ATOM 614 CA ALA A 41 -4.683 -4.246 6.299 1.00 0.00 C ATOM 615 C ALA A 41 -3.381 -3.467 6.457 1.00 0.00 C ATOM 616 O ALA A 41 -3.302 -2.291 6.102 1.00 0.00 O ATOM 617 CB ALA A 41 -5.345 -4.450 7.654 1.00 0.00 C ATOM 0 H ALA A 41 -5.043 -6.287 5.992 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.350 -3.663 5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.512 -3.482 8.127 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.300 -4.958 7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.698 -5.056 8.288 1.00 0.00 H new ATOM 623 N LYS A 42 -2.362 -4.131 6.993 1.00 0.00 N ATOM 624 CA LYS A 42 -1.062 -3.502 7.197 1.00 0.00 C ATOM 625 C LYS A 42 -0.480 -3.014 5.875 1.00 0.00 C ATOM 626 O LYS A 42 -0.091 -1.853 5.747 1.00 0.00 O ATOM 627 CB LYS A 42 -0.096 -4.486 7.860 1.00 0.00 C ATOM 628 CG LYS A 42 -0.373 -4.709 9.337 1.00 0.00 C ATOM 629 CD LYS A 42 0.605 -5.701 9.944 1.00 0.00 C ATOM 630 CE LYS A 42 0.805 -5.448 11.430 1.00 0.00 C ATOM 631 NZ LYS A 42 1.723 -4.302 11.679 1.00 0.00 N ATOM 0 H LYS A 42 -2.411 -5.104 7.294 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.201 -2.641 7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.151 -5.442 7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.923 -4.117 7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.306 -3.759 9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.391 -5.075 9.466 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.237 -6.716 9.793 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.563 -5.630 9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.159 -5.249 11.898 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.208 -6.345 11.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.833 -4.162 12.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.651 -4.502 11.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.326 -3.440 11.253 1.00 0.00 H new ATOM 645 N VAL A 43 -0.424 -3.907 4.892 1.00 0.00 N ATOM 646 CA VAL A 43 0.109 -3.566 3.578 1.00 0.00 C ATOM 647 C VAL A 43 -0.572 -2.325 3.015 1.00 0.00 C ATOM 648 O VAL A 43 0.082 -1.326 2.717 1.00 0.00 O ATOM 649 CB VAL A 43 -0.064 -4.730 2.584 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.599 -4.399 1.255 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.502 -6.016 3.166 1.00 0.00 C ATOM 0 H VAL A 43 -0.741 -4.872 4.981 1.00 0.00 H new ATOM 0 HA VAL A 43 1.172 -3.365 3.709 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.129 -4.878 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.467 -5.232 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.143 -3.503 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.663 -4.224 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.371 -6.828 2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.564 -5.884 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.023 -6.259 4.090 1.00 0.00 H new ATOM 661 N ALA A 44 -1.892 -2.394 2.871 1.00 0.00 N ATOM 662 CA ALA A 44 -2.663 -1.274 2.345 1.00 0.00 C ATOM 663 C ALA A 44 -2.315 0.021 3.071 1.00 0.00 C ATOM 664 O ALA A 44 -2.057 1.048 2.443 1.00 0.00 O ATOM 665 CB ALA A 44 -4.153 -1.561 2.457 1.00 0.00 C ATOM 0 H ALA A 44 -2.449 -3.214 3.111 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.406 -1.150 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.717 -0.717 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.395 -2.458 1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.416 -1.714 3.504 1.00 0.00 H new ATOM 671 N THR A 45 -2.311 -0.034 4.400 1.00 0.00 N ATOM 672 CA THR A 45 -1.997 1.135 5.212 1.00 0.00 C ATOM 673 C THR A 45 -0.625 1.697 4.859 1.00 0.00 C ATOM 674 O THR A 45 -0.412 2.910 4.888 1.00 0.00 O ATOM 675 CB THR A 45 -2.031 0.801 6.715 1.00 0.00 C ATOM 676 OG1 THR A 45 -3.387 0.684 7.160 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.317 1.873 7.524 1.00 0.00 C ATOM 0 H THR A 45 -2.522 -0.876 4.936 1.00 0.00 H new ATOM 0 HA THR A 45 -2.760 1.883 4.996 1.00 0.00 H new ATOM 0 HB THR A 45 -1.516 -0.148 6.866 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.729 -0.207 6.937 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.354 1.615 8.582 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.277 1.939 7.203 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.807 2.834 7.367 1.00 0.00 H new ATOM 685 N LYS A 46 0.305 0.809 4.523 1.00 0.00 N ATOM 686 CA LYS A 46 1.658 1.216 4.162 1.00 0.00 C ATOM 687 C LYS A 46 1.670 1.928 2.813 1.00 0.00 C ATOM 688 O LYS A 46 2.225 3.019 2.682 1.00 0.00 O ATOM 689 CB LYS A 46 2.584 -0.001 4.116 1.00 0.00 C ATOM 690 CG LYS A 46 3.257 -0.303 5.444 1.00 0.00 C ATOM 691 CD LYS A 46 2.260 -0.804 6.475 1.00 0.00 C ATOM 692 CE LYS A 46 2.802 -0.666 7.889 1.00 0.00 C ATOM 693 NZ LYS A 46 2.953 0.761 8.288 1.00 0.00 N ATOM 0 H LYS A 46 0.146 -0.198 4.493 1.00 0.00 H new ATOM 0 HA LYS A 46 2.017 1.909 4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.009 -0.873 3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.351 0.164 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.035 -1.051 5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.746 0.597 5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.329 -0.244 6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.023 -1.849 6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.131 -1.169 8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.768 -1.167 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.957 0.833 9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.848 1.134 7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.159 1.314 7.906 1.00 0.00 H new ATOM 707 N ILE A 47 1.053 1.304 1.815 1.00 0.00 N ATOM 708 CA ILE A 47 0.991 1.880 0.477 1.00 0.00 C ATOM 709 C ILE A 47 0.625 3.359 0.532 1.00 0.00 C ATOM 710 O ILE A 47 1.309 4.200 -0.051 1.00 0.00 O ATOM 711 CB ILE A 47 -0.031 1.142 -0.407 1.00 0.00 C ATOM 712 CG1 ILE A 47 0.077 -0.370 -0.195 1.00 0.00 C ATOM 713 CG2 ILE A 47 0.185 1.493 -1.872 1.00 0.00 C ATOM 714 CD1 ILE A 47 1.499 -0.858 -0.033 1.00 0.00 C ATOM 0 H ILE A 47 0.589 0.400 1.907 1.00 0.00 H new ATOM 0 HA ILE A 47 1.983 1.770 0.040 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.034 1.460 -0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.496 -0.646 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.379 -0.881 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.545 0.964 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.064 2.567 -2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.191 1.200 -2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.499 -1.938 0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.072 -0.613 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.953 -0.375 0.832 1.00 0.00 H new ATOM 726 N GLU A 48 -0.459 3.669 1.237 1.00 0.00 N ATOM 727 CA GLU A 48 -0.916 5.047 1.369 1.00 0.00 C ATOM 728 C GLU A 48 0.144 5.909 2.050 1.00 0.00 C ATOM 729 O GLU A 48 0.158 7.131 1.899 1.00 0.00 O ATOM 730 CB GLU A 48 -2.222 5.102 2.164 1.00 0.00 C ATOM 731 CG GLU A 48 -3.053 6.342 1.885 1.00 0.00 C ATOM 732 CD GLU A 48 -2.443 7.599 2.474 1.00 0.00 C ATOM 733 OE1 GLU A 48 -2.174 7.613 3.693 1.00 0.00 O ATOM 734 OE2 GLU A 48 -2.233 8.568 1.715 1.00 0.00 O ATOM 0 H GLU A 48 -1.036 2.984 1.725 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.092 5.441 0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.816 4.218 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.991 5.062 3.229 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.162 6.466 0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.054 6.203 2.293 1.00 0.00 H new ATOM 741 N LYS A 49 1.029 5.264 2.801 1.00 0.00 N ATOM 742 CA LYS A 49 2.093 5.968 3.506 1.00 0.00 C ATOM 743 C LYS A 49 3.176 6.430 2.536 1.00 0.00 C ATOM 744 O LYS A 49 3.584 7.591 2.555 1.00 0.00 O ATOM 745 CB LYS A 49 2.707 5.066 4.579 1.00 0.00 C ATOM 746 CG LYS A 49 3.247 5.826 5.777 1.00 0.00 C ATOM 747 CD LYS A 49 3.210 4.980 7.039 1.00 0.00 C ATOM 748 CE LYS A 49 3.388 5.830 8.287 1.00 0.00 C ATOM 749 NZ LYS A 49 3.461 4.998 9.520 1.00 0.00 N ATOM 0 H LYS A 49 1.031 4.253 2.937 1.00 0.00 H new ATOM 0 HA LYS A 49 1.658 6.846 3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.953 4.356 4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.515 4.485 4.134 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.272 6.139 5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.660 6.732 5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.261 4.447 7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.996 4.226 6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.298 6.424 8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.557 6.531 8.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.582 5.615 10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.583 4.450 9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.269 4.347 9.452 1.00 0.00 H new ATOM 763 N GLU A 50 3.634 5.515 1.688 1.00 0.00 N ATOM 764 CA GLU A 50 4.668 5.831 0.710 1.00 0.00 C ATOM 765 C GLU A 50 4.081 6.587 -0.479 1.00 0.00 C ATOM 766 O GLU A 50 4.587 7.639 -0.872 1.00 0.00 O ATOM 767 CB GLU A 50 5.352 4.550 0.226 1.00 0.00 C ATOM 768 CG GLU A 50 4.447 3.331 0.249 1.00 0.00 C ATOM 769 CD GLU A 50 4.488 2.598 1.575 1.00 0.00 C ATOM 770 OE1 GLU A 50 4.611 3.269 2.621 1.00 0.00 O ATOM 771 OE2 GLU A 50 4.396 1.352 1.568 1.00 0.00 O ATOM 0 H GLU A 50 3.306 4.550 1.658 1.00 0.00 H new ATOM 0 HA GLU A 50 5.407 6.469 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.715 4.704 -0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.225 4.356 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.423 3.640 0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.743 2.649 -0.548 1.00 0.00 H new ATOM 778 N LEU A 51 3.010 6.043 -1.047 1.00 0.00 N ATOM 779 CA LEU A 51 2.353 6.664 -2.192 1.00 0.00 C ATOM 780 C LEU A 51 2.194 8.166 -1.979 1.00 0.00 C ATOM 781 O LEU A 51 2.711 8.972 -2.754 1.00 0.00 O ATOM 782 CB LEU A 51 0.984 6.024 -2.428 1.00 0.00 C ATOM 783 CG LEU A 51 0.496 6.000 -3.877 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.006 4.759 -4.592 1.00 0.00 C ATOM 785 CD2 LEU A 51 -1.024 6.060 -3.928 1.00 0.00 C ATOM 0 H LEU A 51 2.578 5.174 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 51 2.979 6.504 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.016 4.999 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.247 6.556 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 51 0.893 6.877 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.648 4.760 -5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.096 4.758 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.640 3.868 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.354 6.042 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.440 5.202 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.368 6.979 -3.454 1.00 0.00 H new ATOM 797 N PHE A 52 1.478 8.537 -0.923 1.00 0.00 N ATOM 798 CA PHE A 52 1.252 9.942 -0.607 1.00 0.00 C ATOM 799 C PHE A 52 2.568 10.716 -0.597 1.00 0.00 C ATOM 800 O PHE A 52 2.648 11.832 -1.110 1.00 0.00 O ATOM 801 CB PHE A 52 0.559 10.077 0.750 1.00 0.00 C ATOM 802 CG PHE A 52 0.301 11.501 1.153 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.548 12.303 0.408 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.908 12.037 2.277 1.00 0.00 C ATOM 805 CE1 PHE A 52 -0.787 13.614 0.776 1.00 0.00 C ATOM 806 CE2 PHE A 52 0.672 13.347 2.651 1.00 0.00 C ATOM 807 CZ PHE A 52 -0.176 14.136 1.898 1.00 0.00 C ATOM 0 H PHE A 52 1.044 7.883 -0.271 1.00 0.00 H new ATOM 0 HA PHE A 52 0.608 10.363 -1.380 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.389 9.539 0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.174 9.598 1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.029 11.899 -0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.573 11.425 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.451 14.229 0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.150 13.753 3.530 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.361 15.160 2.187 1.00 0.00 H new ATOM 817 N SER A 53 3.597 10.114 -0.009 1.00 0.00 N ATOM 818 CA SER A 53 4.908 10.747 0.072 1.00 0.00 C ATOM 819 C SER A 53 5.571 10.802 -1.301 1.00 0.00 C ATOM 820 O SER A 53 6.362 11.701 -1.585 1.00 0.00 O ATOM 821 CB SER A 53 5.804 9.988 1.053 1.00 0.00 C ATOM 822 OG SER A 53 7.125 10.500 1.038 1.00 0.00 O ATOM 0 H SER A 53 3.548 9.189 0.418 1.00 0.00 H new ATOM 0 HA SER A 53 4.770 11.767 0.431 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.393 10.064 2.060 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.818 8.929 0.793 1.00 0.00 H new ATOM 0 HG SER A 53 7.677 9.999 1.674 1.00 0.00 H new ATOM 828 N PHE A 54 5.241 9.834 -2.149 1.00 0.00 N ATOM 829 CA PHE A 54 5.804 9.770 -3.493 1.00 0.00 C ATOM 830 C PHE A 54 5.494 11.044 -4.273 1.00 0.00 C ATOM 831 O PHE A 54 6.390 11.829 -4.583 1.00 0.00 O ATOM 832 CB PHE A 54 5.255 8.553 -4.242 1.00 0.00 C ATOM 833 CG PHE A 54 5.964 8.277 -5.537 1.00 0.00 C ATOM 834 CD1 PHE A 54 7.265 7.799 -5.541 1.00 0.00 C ATOM 835 CD2 PHE A 54 5.330 8.494 -6.749 1.00 0.00 C ATOM 836 CE1 PHE A 54 7.919 7.545 -6.732 1.00 0.00 C ATOM 837 CE2 PHE A 54 5.979 8.241 -7.943 1.00 0.00 C ATOM 838 CZ PHE A 54 7.275 7.764 -7.934 1.00 0.00 C ATOM 0 H PHE A 54 4.587 9.083 -1.930 1.00 0.00 H new ATOM 0 HA PHE A 54 6.886 9.674 -3.403 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.333 7.676 -3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.195 8.708 -4.443 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.773 7.623 -4.604 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.316 8.865 -6.761 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.934 7.175 -6.723 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.473 8.416 -8.881 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.784 7.563 -8.865 1.00 0.00 H new ATOM 848 N PHE A 55 4.218 11.242 -4.589 1.00 0.00 N ATOM 849 CA PHE A 55 3.789 12.419 -5.334 1.00 0.00 C ATOM 850 C PHE A 55 3.717 13.643 -4.425 1.00 0.00 C ATOM 851 O PHE A 55 3.944 14.770 -4.865 1.00 0.00 O ATOM 852 CB PHE A 55 2.425 12.170 -5.981 1.00 0.00 C ATOM 853 CG PHE A 55 2.392 10.952 -6.859 1.00 0.00 C ATOM 854 CD1 PHE A 55 2.831 11.015 -8.172 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.921 9.743 -6.372 1.00 0.00 C ATOM 856 CE1 PHE A 55 2.802 9.896 -8.982 1.00 0.00 C ATOM 857 CE2 PHE A 55 1.890 8.620 -7.177 1.00 0.00 C ATOM 858 CZ PHE A 55 2.329 8.697 -8.484 1.00 0.00 C ATOM 0 H PHE A 55 3.464 10.602 -4.340 1.00 0.00 H new ATOM 0 HA PHE A 55 4.525 12.611 -6.115 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.674 12.064 -5.198 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.148 13.042 -6.573 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.200 11.950 -8.567 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.574 9.678 -5.351 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.149 9.958 -10.003 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.523 7.683 -6.784 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.303 7.822 -9.116 1.00 0.00 H new ATOM 868 N ARG A 56 3.400 13.411 -3.155 1.00 0.00 N ATOM 869 CA ARG A 56 3.296 14.493 -2.184 1.00 0.00 C ATOM 870 C ARG A 56 2.172 15.454 -2.559 1.00 0.00 C ATOM 871 O ARG A 56 2.255 16.654 -2.298 1.00 0.00 O ATOM 872 CB ARG A 56 4.621 15.253 -2.092 1.00 0.00 C ATOM 873 CG ARG A 56 5.573 14.693 -1.048 1.00 0.00 C ATOM 874 CD ARG A 56 5.326 15.310 0.320 1.00 0.00 C ATOM 875 NE ARG A 56 5.417 16.767 0.288 1.00 0.00 N ATOM 876 CZ ARG A 56 4.899 17.556 1.222 1.00 0.00 C ATOM 877 NH1 ARG A 56 4.258 17.032 2.257 1.00 0.00 N ATOM 878 NH2 ARG A 56 5.024 18.874 1.123 1.00 0.00 N ATOM 0 H ARG A 56 3.211 12.484 -2.775 1.00 0.00 H new ATOM 0 HA ARG A 56 3.067 14.055 -1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.110 15.232 -3.066 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.415 16.298 -1.861 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.453 13.611 -0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.602 14.883 -1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.339 15.016 0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.052 14.917 1.031 1.00 0.00 H new ATOM 0 HE ARG A 56 5.905 17.203 -0.495 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.161 16.020 2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.861 17.641 2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.518 19.281 0.329 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.626 19.479 1.841 1.00 0.00 H new ATOM 892 N ASP A 57 1.122 14.918 -3.171 1.00 0.00 N ATOM 893 CA ASP A 57 -0.020 15.727 -3.581 1.00 0.00 C ATOM 894 C ASP A 57 -1.141 14.848 -4.128 1.00 0.00 C ATOM 895 O ASP A 57 -0.905 13.959 -4.947 1.00 0.00 O ATOM 896 CB ASP A 57 0.405 16.748 -4.637 1.00 0.00 C ATOM 897 CG ASP A 57 1.337 16.155 -5.675 1.00 0.00 C ATOM 898 OD1 ASP A 57 1.290 14.924 -5.881 1.00 0.00 O ATOM 899 OD2 ASP A 57 2.114 16.921 -6.282 1.00 0.00 O ATOM 0 H ASP A 57 1.038 13.926 -3.394 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.393 16.256 -2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.481 17.144 -5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.898 17.588 -4.148 1.00 0.00 H new ATOM 904 N THR A 58 -2.362 15.101 -3.667 1.00 0.00 N ATOM 905 CA THR A 58 -3.519 14.331 -4.108 1.00 0.00 C ATOM 906 C THR A 58 -3.951 14.743 -5.511 1.00 0.00 C ATOM 907 O THR A 58 -5.102 15.122 -5.730 1.00 0.00 O ATOM 908 CB THR A 58 -4.709 14.505 -3.145 1.00 0.00 C ATOM 909 OG1 THR A 58 -5.059 15.890 -3.044 1.00 0.00 O ATOM 910 CG2 THR A 58 -4.372 13.961 -1.765 1.00 0.00 C ATOM 0 H THR A 58 -2.575 15.833 -2.989 1.00 0.00 H new ATOM 0 HA THR A 58 -3.218 13.284 -4.116 1.00 0.00 H new ATOM 0 HB THR A 58 -5.555 13.945 -3.543 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.339 16.222 -3.923 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.227 14.095 -1.102 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.134 12.900 -1.840 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.513 14.498 -1.362 1.00 0.00 H new ATOM 918 N ASP A 59 -3.023 14.665 -6.457 1.00 0.00 N ATOM 919 CA ASP A 59 -3.308 15.027 -7.841 1.00 0.00 C ATOM 920 C ASP A 59 -3.604 13.787 -8.678 1.00 0.00 C ATOM 921 O ASP A 59 -3.515 12.661 -8.189 1.00 0.00 O ATOM 922 CB ASP A 59 -2.131 15.795 -8.443 1.00 0.00 C ATOM 923 CG ASP A 59 -2.532 16.616 -9.652 1.00 0.00 C ATOM 924 OD1 ASP A 59 -3.202 17.653 -9.469 1.00 0.00 O ATOM 925 OD2 ASP A 59 -2.177 16.220 -10.783 1.00 0.00 O ATOM 0 H ASP A 59 -2.066 14.354 -6.291 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.191 15.667 -7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.705 16.453 -7.686 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.350 15.091 -8.729 1.00 0.00 H new ATOM 930 N ALA A 60 -3.957 14.002 -9.941 1.00 0.00 N ATOM 931 CA ALA A 60 -4.265 12.902 -10.846 1.00 0.00 C ATOM 932 C ALA A 60 -3.104 11.916 -10.927 1.00 0.00 C ATOM 933 O ALA A 60 -3.303 10.724 -11.160 1.00 0.00 O ATOM 934 CB ALA A 60 -4.605 13.436 -12.229 1.00 0.00 C ATOM 0 H ALA A 60 -4.037 14.928 -10.361 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.131 12.371 -10.451 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.833 12.603 -12.895 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.471 14.095 -12.162 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.755 13.993 -12.623 1.00 0.00 H new ATOM 940 N LYS A 61 -1.891 12.422 -10.735 1.00 0.00 N ATOM 941 CA LYS A 61 -0.696 11.587 -10.786 1.00 0.00 C ATOM 942 C LYS A 61 -0.652 10.629 -9.601 1.00 0.00 C ATOM 943 O LYS A 61 -0.126 9.520 -9.706 1.00 0.00 O ATOM 944 CB LYS A 61 0.561 12.460 -10.798 1.00 0.00 C ATOM 945 CG LYS A 61 0.486 13.648 -9.855 1.00 0.00 C ATOM 946 CD LYS A 61 1.850 14.283 -9.648 1.00 0.00 C ATOM 947 CE LYS A 61 2.129 15.356 -10.689 1.00 0.00 C ATOM 948 NZ LYS A 61 2.634 14.775 -11.964 1.00 0.00 N ATOM 0 H LYS A 61 -1.709 13.407 -10.542 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.731 11.000 -11.704 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.421 11.847 -10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.732 12.822 -11.812 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.204 14.390 -10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.084 13.326 -8.894 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.902 14.720 -8.651 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.622 13.515 -9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.216 15.919 -10.883 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.861 16.061 -10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.223 15.477 -12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.202 13.929 -11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.830 14.513 -12.569 1.00 0.00 H new ATOM 962 N TYR A 62 -1.206 11.062 -8.474 1.00 0.00 N ATOM 963 CA TYR A 62 -1.228 10.243 -7.269 1.00 0.00 C ATOM 964 C TYR A 62 -2.345 9.206 -7.335 1.00 0.00 C ATOM 965 O TYR A 62 -2.142 8.035 -7.014 1.00 0.00 O ATOM 966 CB TYR A 62 -1.408 11.124 -6.031 1.00 0.00 C ATOM 967 CG TYR A 62 -1.937 10.376 -4.827 1.00 0.00 C ATOM 968 CD1 TYR A 62 -1.071 9.755 -3.936 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.301 10.290 -4.583 1.00 0.00 C ATOM 970 CE1 TYR A 62 -1.549 9.071 -2.835 1.00 0.00 C ATOM 971 CE2 TYR A 62 -3.789 9.609 -3.484 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.909 9.001 -2.613 1.00 0.00 C ATOM 973 OH TYR A 62 -3.390 8.321 -1.518 1.00 0.00 O ATOM 0 H TYR A 62 -1.646 11.976 -8.370 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.274 9.720 -7.199 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.450 11.577 -5.775 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.091 11.939 -6.271 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.006 9.808 -4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -3.993 10.764 -5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.862 8.594 -2.152 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.853 9.553 -3.308 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.312 8.887 -0.722 1.00 0.00 H new ATOM 983 N LYS A 63 -3.527 9.645 -7.755 1.00 0.00 N ATOM 984 CA LYS A 63 -4.678 8.757 -7.867 1.00 0.00 C ATOM 985 C LYS A 63 -4.483 7.754 -8.999 1.00 0.00 C ATOM 986 O LYS A 63 -4.823 6.579 -8.866 1.00 0.00 O ATOM 987 CB LYS A 63 -5.953 9.569 -8.104 1.00 0.00 C ATOM 988 CG LYS A 63 -6.096 10.763 -7.176 1.00 0.00 C ATOM 989 CD LYS A 63 -6.937 11.861 -7.805 1.00 0.00 C ATOM 990 CE LYS A 63 -8.416 11.670 -7.506 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.270 12.550 -8.351 1.00 0.00 N ATOM 0 H LYS A 63 -3.713 10.611 -8.024 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.774 8.207 -6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.964 9.919 -9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.817 8.917 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.554 10.444 -6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.109 11.155 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.611 12.831 -7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.781 11.868 -8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.689 10.628 -7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.604 11.883 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.271 12.390 -8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.027 13.545 -8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.109 12.330 -9.355 1.00 0.00 H new ATOM 1005 N ASN A 64 -3.933 8.225 -10.114 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.693 7.369 -11.269 1.00 0.00 C ATOM 1007 C ASN A 64 -2.878 6.140 -10.875 1.00 0.00 C ATOM 1008 O ASN A 64 -3.079 5.050 -11.411 1.00 0.00 O ATOM 1009 CB ASN A 64 -2.963 8.148 -12.365 1.00 0.00 C ATOM 1010 CG ASN A 64 -2.769 7.329 -13.626 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -2.126 6.279 -13.604 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -3.325 7.806 -14.733 1.00 0.00 N ATOM 0 H ASN A 64 -3.645 9.195 -10.241 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.659 7.037 -11.650 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.528 9.049 -12.604 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.991 8.471 -11.992 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.228 7.298 -15.612 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.849 8.680 -14.704 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.958 6.324 -9.935 1.00 0.00 N ATOM 1020 CA LYS A 65 -1.113 5.232 -9.466 1.00 0.00 C ATOM 1021 C LYS A 65 -1.882 4.318 -8.518 1.00 0.00 C ATOM 1022 O LYS A 65 -1.801 3.093 -8.619 1.00 0.00 O ATOM 1023 CB LYS A 65 0.128 5.785 -8.763 1.00 0.00 C ATOM 1024 CG LYS A 65 0.995 4.713 -8.126 1.00 0.00 C ATOM 1025 CD LYS A 65 1.531 3.740 -9.163 1.00 0.00 C ATOM 1026 CE LYS A 65 2.650 4.362 -9.985 1.00 0.00 C ATOM 1027 NZ LYS A 65 2.904 3.602 -11.240 1.00 0.00 N ATOM 0 H LYS A 65 -1.778 7.220 -9.482 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.802 4.649 -10.333 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.726 6.343 -9.484 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.185 6.492 -7.994 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.827 5.182 -7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.414 4.169 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.899 2.843 -8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.722 3.429 -9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.391 5.392 -10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.562 4.396 -9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.673 4.057 -11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.176 2.626 -11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.041 3.591 -11.820 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.628 4.920 -7.598 1.00 0.00 N ATOM 1042 CA TYR A 66 -3.411 4.159 -6.632 1.00 0.00 C ATOM 1043 C TYR A 66 -4.368 3.203 -7.337 1.00 0.00 C ATOM 1044 O TYR A 66 -4.358 1.998 -7.084 1.00 0.00 O ATOM 1045 CB TYR A 66 -4.196 5.106 -5.722 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.498 4.523 -5.220 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -5.520 3.321 -4.523 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.705 5.173 -5.442 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.706 2.783 -4.063 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.896 4.644 -4.984 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.892 3.449 -4.295 1.00 0.00 C ATOM 1052 OH TYR A 66 -9.076 2.918 -3.839 1.00 0.00 O ATOM 0 H TYR A 66 -2.707 5.932 -7.501 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.721 3.571 -6.026 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.574 5.374 -4.868 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.406 6.028 -6.265 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.593 2.798 -4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.713 6.108 -5.982 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.705 1.847 -3.525 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.826 5.163 -5.164 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.731 2.904 -4.568 1.00 0.00 H new ATOM 1062 N ARG A 67 -5.194 3.750 -8.223 1.00 0.00 N ATOM 1063 CA ARG A 67 -6.159 2.947 -8.965 1.00 0.00 C ATOM 1064 C ARG A 67 -5.450 1.914 -9.836 1.00 0.00 C ATOM 1065 O ARG A 67 -5.979 0.831 -10.086 1.00 0.00 O ATOM 1066 CB ARG A 67 -7.039 3.846 -9.836 1.00 0.00 C ATOM 1067 CG ARG A 67 -6.290 4.509 -10.980 1.00 0.00 C ATOM 1068 CD ARG A 67 -7.238 5.239 -11.918 1.00 0.00 C ATOM 1069 NE ARG A 67 -6.737 5.268 -13.289 1.00 0.00 N ATOM 1070 CZ ARG A 67 -6.682 4.197 -14.074 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -7.096 3.020 -13.625 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -6.213 4.303 -15.311 1.00 0.00 N ATOM 0 H ARG A 67 -5.214 4.745 -8.444 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.787 2.421 -8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.857 3.253 -10.244 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.486 4.618 -9.210 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.560 5.212 -10.579 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.734 3.755 -11.537 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.213 4.752 -11.899 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.384 6.259 -11.564 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.412 6.159 -13.665 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.458 2.935 -12.675 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.053 2.200 -14.230 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.894 5.207 -15.660 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.171 3.480 -15.913 1.00 0.00 H new ATOM 1086 N SER A 68 -4.251 2.256 -10.294 1.00 0.00 N ATOM 1087 CA SER A 68 -3.471 1.360 -11.140 1.00 0.00 C ATOM 1088 C SER A 68 -2.962 0.164 -10.341 1.00 0.00 C ATOM 1089 O SER A 68 -3.297 -0.983 -10.638 1.00 0.00 O ATOM 1090 CB SER A 68 -2.293 2.110 -11.764 1.00 0.00 C ATOM 1091 OG SER A 68 -2.691 2.802 -12.935 1.00 0.00 O ATOM 0 H SER A 68 -3.798 3.148 -10.094 1.00 0.00 H new ATOM 0 HA SER A 68 -4.121 0.994 -11.935 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.884 2.817 -11.042 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.497 1.406 -12.007 1.00 0.00 H new ATOM 0 HG SER A 68 -2.935 3.722 -12.704 1.00 0.00 H new ATOM 1097 N LEU A 69 -2.151 0.441 -9.326 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.594 -0.610 -8.483 1.00 0.00 C ATOM 1099 C LEU A 69 -2.631 -1.696 -8.211 1.00 0.00 C ATOM 1100 O LEU A 69 -2.314 -2.886 -8.219 1.00 0.00 O ATOM 1101 CB LEU A 69 -1.098 -0.022 -7.161 1.00 0.00 C ATOM 1102 CG LEU A 69 0.094 0.931 -7.256 1.00 0.00 C ATOM 1103 CD1 LEU A 69 0.562 1.341 -5.869 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.231 0.287 -8.036 1.00 0.00 C ATOM 0 H LEU A 69 -1.865 1.385 -9.067 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.753 -1.059 -9.012 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.925 0.509 -6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.828 -0.845 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.224 1.827 -7.789 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.411 2.019 -5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.251 1.843 -5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.862 0.455 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.071 0.980 -8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.547 -0.626 -7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.890 0.045 -9.043 1.00 0.00 H new ATOM 1116 N MET A 70 -3.870 -1.279 -7.974 1.00 0.00 N ATOM 1117 CA MET A 70 -4.953 -2.217 -7.704 1.00 0.00 C ATOM 1118 C MET A 70 -5.621 -2.664 -9.001 1.00 0.00 C ATOM 1119 O MET A 70 -6.221 -3.737 -9.064 1.00 0.00 O ATOM 1120 CB MET A 70 -5.989 -1.579 -6.777 1.00 0.00 C ATOM 1121 CG MET A 70 -6.688 -0.373 -7.384 1.00 0.00 C ATOM 1122 SD MET A 70 -7.871 0.386 -6.254 1.00 0.00 S ATOM 1123 CE MET A 70 -8.177 -0.969 -5.124 1.00 0.00 C ATOM 0 H MET A 70 -4.149 -0.298 -7.963 1.00 0.00 H new ATOM 0 HA MET A 70 -4.528 -3.093 -7.214 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.737 -2.327 -6.512 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.499 -1.277 -5.852 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.942 0.367 -7.673 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.205 -0.677 -8.294 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.878 -0.649 -4.353 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.600 -1.811 -5.672 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.240 -1.273 -4.658 1.00 0.00 H new ATOM 1133 N PHE A 71 -5.513 -1.834 -10.033 1.00 0.00 N ATOM 1134 CA PHE A 71 -6.108 -2.144 -11.328 1.00 0.00 C ATOM 1135 C PHE A 71 -5.783 -3.574 -11.748 1.00 0.00 C ATOM 1136 O PHE A 71 -6.657 -4.314 -12.196 1.00 0.00 O ATOM 1137 CB PHE A 71 -5.608 -1.162 -12.390 1.00 0.00 C ATOM 1138 CG PHE A 71 -6.302 -1.308 -13.715 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -7.609 -0.877 -13.878 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -5.648 -1.877 -14.796 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -8.250 -1.009 -15.096 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -6.283 -2.011 -16.015 1.00 0.00 C ATOM 1143 CZ PHE A 71 -7.586 -1.578 -16.165 1.00 0.00 C ATOM 0 H PHE A 71 -5.019 -0.942 -9.998 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.190 -2.049 -11.235 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.747 -0.144 -12.026 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.537 -1.307 -12.532 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.133 -0.433 -13.044 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.630 -2.220 -14.684 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.268 -0.668 -15.211 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.761 -2.454 -16.850 1.00 0.00 H new ATOM 0 HZ PHE A 71 -8.085 -1.684 -17.117 1.00 0.00 H new ATOM 1153 N ASN A 72 -4.518 -3.955 -11.599 1.00 0.00 N ATOM 1154 CA ASN A 72 -4.076 -5.296 -11.964 1.00 0.00 C ATOM 1155 C ASN A 72 -4.396 -6.294 -10.855 1.00 0.00 C ATOM 1156 O ASN A 72 -4.821 -7.419 -11.121 1.00 0.00 O ATOM 1157 CB ASN A 72 -2.574 -5.300 -12.251 1.00 0.00 C ATOM 1158 CG ASN A 72 -2.260 -4.950 -13.693 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -2.085 -5.832 -14.534 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -2.188 -3.657 -13.986 1.00 0.00 N ATOM 0 H ASN A 72 -3.782 -3.354 -11.228 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.612 -5.596 -12.865 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.079 -4.588 -11.591 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.166 -6.284 -12.022 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.981 -3.361 -14.940 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.340 -2.960 -13.257 1.00 0.00 H new ATOM 1167 N LEU A 73 -4.188 -5.875 -9.612 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.454 -6.732 -8.461 1.00 0.00 C ATOM 1169 C LEU A 73 -5.858 -7.323 -8.535 1.00 0.00 C ATOM 1170 O LEU A 73 -6.035 -8.540 -8.471 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.290 -5.940 -7.162 1.00 0.00 C ATOM 1172 CG LEU A 73 -2.866 -5.500 -6.820 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -2.880 -4.476 -5.696 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -2.013 -6.701 -6.439 1.00 0.00 C ATOM 0 H LEU A 73 -3.836 -4.947 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.734 -7.550 -8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.919 -5.052 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.669 -6.547 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.428 -5.035 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.858 -4.174 -5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.455 -3.603 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.337 -4.915 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.003 -6.369 -6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.448 -7.196 -5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.976 -7.400 -7.274 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.853 -6.454 -8.674 1.00 0.00 N ATOM 1187 CA LYS A 74 -8.242 -6.889 -8.761 1.00 0.00 C ATOM 1188 C LYS A 74 -8.452 -7.803 -9.964 1.00 0.00 C ATOM 1189 O LYS A 74 -9.492 -8.449 -10.092 1.00 0.00 O ATOM 1190 CB LYS A 74 -9.172 -5.678 -8.859 1.00 0.00 C ATOM 1191 CG LYS A 74 -9.236 -5.071 -10.250 1.00 0.00 C ATOM 1192 CD LYS A 74 -10.396 -4.098 -10.382 1.00 0.00 C ATOM 1193 CE LYS A 74 -10.096 -3.007 -11.398 1.00 0.00 C ATOM 1194 NZ LYS A 74 -10.309 -3.477 -12.795 1.00 0.00 N ATOM 0 H LYS A 74 -6.723 -5.444 -8.729 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.478 -7.449 -7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.176 -5.976 -8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.838 -4.916 -8.154 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.301 -4.555 -10.466 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.340 -5.865 -10.990 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.294 -4.639 -10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.605 -3.646 -9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.734 -2.144 -11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.065 -2.674 -11.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.094 -2.705 -13.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.683 -4.284 -12.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.299 -3.771 -12.915 1.00 0.00 H new ATOM 1208 N ASP A 75 -7.457 -7.854 -10.843 1.00 0.00 N ATOM 1209 CA ASP A 75 -7.531 -8.691 -12.035 1.00 0.00 C ATOM 1210 C ASP A 75 -7.391 -10.166 -11.672 1.00 0.00 C ATOM 1211 O ASP A 75 -6.593 -10.547 -10.816 1.00 0.00 O ATOM 1212 CB ASP A 75 -6.443 -8.293 -13.033 1.00 0.00 C ATOM 1213 CG ASP A 75 -6.813 -8.638 -14.462 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -7.504 -7.824 -15.108 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -6.412 -9.723 -14.933 1.00 0.00 O ATOM 0 H ASP A 75 -6.589 -7.325 -10.752 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.507 -8.539 -12.495 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.259 -7.221 -12.957 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.512 -8.796 -12.771 1.00 0.00 H new ATOM 1220 N PRO A 76 -8.186 -11.018 -12.337 1.00 0.00 N ATOM 1221 CA PRO A 76 -8.170 -12.464 -12.102 1.00 0.00 C ATOM 1222 C PRO A 76 -6.886 -13.118 -12.601 1.00 0.00 C ATOM 1223 O PRO A 76 -6.663 -14.312 -12.394 1.00 0.00 O ATOM 1224 CB PRO A 76 -9.373 -12.968 -12.903 1.00 0.00 C ATOM 1225 CG PRO A 76 -9.569 -11.950 -13.973 1.00 0.00 C ATOM 1226 CD PRO A 76 -9.162 -10.633 -13.371 1.00 0.00 C ATOM 0 HA PRO A 76 -8.217 -12.704 -11.040 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.182 -13.955 -13.325 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.259 -13.057 -12.274 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.963 -12.183 -14.849 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.608 -11.924 -14.302 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.719 -9.971 -14.115 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.015 -10.106 -12.943 1.00 0.00 H new ATOM 1234 N LYS A 77 -6.043 -12.330 -13.260 1.00 0.00 N ATOM 1235 CA LYS A 77 -4.780 -12.831 -13.788 1.00 0.00 C ATOM 1236 C LYS A 77 -3.637 -12.560 -12.815 1.00 0.00 C ATOM 1237 O LYS A 77 -2.767 -13.406 -12.613 1.00 0.00 O ATOM 1238 CB LYS A 77 -4.476 -12.183 -15.141 1.00 0.00 C ATOM 1239 CG LYS A 77 -5.656 -12.189 -16.097 1.00 0.00 C ATOM 1240 CD LYS A 77 -5.674 -13.444 -16.954 1.00 0.00 C ATOM 1241 CE LYS A 77 -6.241 -14.632 -16.193 1.00 0.00 C ATOM 1242 NZ LYS A 77 -6.675 -15.722 -17.109 1.00 0.00 N ATOM 0 H LYS A 77 -6.212 -11.341 -13.441 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.873 -13.909 -13.921 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.157 -11.154 -14.978 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.640 -12.706 -15.605 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.585 -12.121 -15.530 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.609 -11.310 -16.739 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.270 -13.266 -17.849 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.661 -13.673 -17.286 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.488 -15.015 -15.504 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.088 -14.306 -15.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.055 -16.513 -16.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.412 -15.364 -17.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.861 -16.051 -17.667 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.647 -11.375 -12.213 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.612 -10.994 -11.259 1.00 0.00 C ATOM 1258 C ASN A 78 -2.745 -11.789 -9.964 1.00 0.00 C ATOM 1259 O ASN A 78 -3.259 -11.287 -8.966 1.00 0.00 O ATOM 1260 CB ASN A 78 -2.691 -9.495 -10.961 1.00 0.00 C ATOM 1261 CG ASN A 78 -2.345 -8.646 -12.169 1.00 0.00 C ATOM 1262 OD1 ASN A 78 -3.223 -8.061 -12.803 1.00 0.00 O ATOM 1263 ND2 ASN A 78 -1.059 -8.576 -12.493 1.00 0.00 N ATOM 0 H ASN A 78 -4.360 -10.662 -12.369 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.643 -11.219 -11.704 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -3.697 -9.247 -10.622 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.011 -9.254 -10.144 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.765 -8.020 -13.296 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.365 -9.078 -11.939 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.278 -13.033 -9.989 1.00 0.00 N ATOM 1271 CA ASN A 79 -2.344 -13.898 -8.817 1.00 0.00 C ATOM 1272 C ASN A 79 -1.026 -13.876 -8.049 1.00 0.00 C ATOM 1273 O ASN A 79 -1.011 -13.974 -6.821 1.00 0.00 O ATOM 1274 CB ASN A 79 -2.679 -15.332 -9.234 1.00 0.00 C ATOM 1275 CG ASN A 79 -4.025 -15.433 -9.926 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -4.120 -15.303 -11.146 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -5.075 -15.666 -9.146 1.00 0.00 N ATOM 0 H ASN A 79 -1.850 -13.465 -10.808 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.131 -13.522 -8.164 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.902 -15.705 -9.901 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.677 -15.974 -8.353 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.006 -15.744 -9.554 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.950 -15.767 -8.139 1.00 0.00 H new ATOM 1284 N ILE A 80 0.076 -13.745 -8.779 1.00 0.00 N ATOM 1285 CA ILE A 80 1.398 -13.708 -8.166 1.00 0.00 C ATOM 1286 C ILE A 80 1.691 -12.333 -7.576 1.00 0.00 C ATOM 1287 O ILE A 80 2.404 -12.212 -6.579 1.00 0.00 O ATOM 1288 CB ILE A 80 2.500 -14.064 -9.181 1.00 0.00 C ATOM 1289 CG1 ILE A 80 2.147 -15.359 -9.916 1.00 0.00 C ATOM 1290 CG2 ILE A 80 3.843 -14.196 -8.480 1.00 0.00 C ATOM 1291 CD1 ILE A 80 3.072 -15.669 -11.072 1.00 0.00 C ATOM 0 H ILE A 80 0.080 -13.663 -9.796 1.00 0.00 H new ATOM 0 HA ILE A 80 1.397 -14.451 -7.368 1.00 0.00 H new ATOM 0 HB ILE A 80 2.572 -13.260 -9.914 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.173 -16.188 -9.208 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.125 -15.289 -10.288 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.612 -14.448 -9.211 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.096 -13.252 -7.998 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.785 -14.983 -7.728 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.762 -16.600 -11.546 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.028 -14.859 -11.800 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.093 -15.771 -10.704 1.00 0.00 H new ATOM 1303 N LEU A 81 1.136 -11.298 -8.197 1.00 0.00 N ATOM 1304 CA LEU A 81 1.336 -9.929 -7.733 1.00 0.00 C ATOM 1305 C LEU A 81 0.986 -9.799 -6.254 1.00 0.00 C ATOM 1306 O LEU A 81 1.852 -9.533 -5.421 1.00 0.00 O ATOM 1307 CB LEU A 81 0.487 -8.961 -8.557 1.00 0.00 C ATOM 1308 CG LEU A 81 1.050 -7.549 -8.725 1.00 0.00 C ATOM 1309 CD1 LEU A 81 2.435 -7.598 -9.350 1.00 0.00 C ATOM 1310 CD2 LEU A 81 0.112 -6.697 -9.567 1.00 0.00 C ATOM 0 H LEU A 81 0.544 -11.381 -9.023 1.00 0.00 H new ATOM 0 HA LEU A 81 2.389 -9.678 -7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.339 -9.392 -9.547 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.496 -8.886 -8.092 1.00 0.00 H new ATOM 0 HG LEU A 81 1.135 -7.093 -7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.820 -6.584 -9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.104 -8.171 -8.708 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.376 -8.074 -10.329 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.529 -5.696 -9.676 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.006 -7.150 -10.551 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.860 -6.634 -9.078 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.290 -9.991 -5.934 1.00 0.00 N ATOM 1323 CA PHE A 82 -0.755 -9.897 -4.556 1.00 0.00 C ATOM 1324 C PHE A 82 0.020 -10.852 -3.653 1.00 0.00 C ATOM 1325 O PHE A 82 0.524 -10.460 -2.600 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.252 -10.205 -4.478 1.00 0.00 C ATOM 1327 CG PHE A 82 -2.554 -11.659 -4.256 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -2.633 -12.535 -5.327 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -2.758 -12.151 -2.977 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -2.911 -13.873 -5.126 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.036 -13.489 -2.769 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.112 -14.351 -3.845 1.00 0.00 C ATOM 0 H PHE A 82 -1.020 -10.213 -6.611 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.582 -8.878 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.693 -9.623 -3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.730 -9.880 -5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.475 -12.167 -6.330 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.699 -11.481 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.971 -14.545 -5.969 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.193 -13.859 -1.767 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.328 -15.397 -3.686 1.00 0.00 H new ATOM 1342 N LYS A 83 0.111 -12.110 -4.073 1.00 0.00 N ATOM 1343 CA LYS A 83 0.825 -13.124 -3.306 1.00 0.00 C ATOM 1344 C LYS A 83 2.257 -12.683 -3.022 1.00 0.00 C ATOM 1345 O LYS A 83 2.807 -12.971 -1.959 1.00 0.00 O ATOM 1346 CB LYS A 83 0.829 -14.455 -4.060 1.00 0.00 C ATOM 1347 CG LYS A 83 0.909 -15.669 -3.151 1.00 0.00 C ATOM 1348 CD LYS A 83 1.251 -16.928 -3.931 1.00 0.00 C ATOM 1349 CE LYS A 83 0.013 -17.547 -4.561 1.00 0.00 C ATOM 1350 NZ LYS A 83 0.142 -19.023 -4.703 1.00 0.00 N ATOM 0 H LYS A 83 -0.301 -12.451 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 83 0.309 -13.255 -2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.075 -14.523 -4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.674 -14.471 -4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.663 -15.500 -2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.044 -15.805 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.976 -16.689 -4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.723 -17.652 -3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.860 -17.316 -3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.157 -17.101 -5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.722 -19.407 -5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.960 -19.244 -5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.279 -19.451 -3.765 1.00 0.00 H new ATOM 1364 N LYS A 84 2.856 -11.981 -3.978 1.00 0.00 N ATOM 1365 CA LYS A 84 4.224 -11.498 -3.830 1.00 0.00 C ATOM 1366 C LYS A 84 4.299 -10.387 -2.788 1.00 0.00 C ATOM 1367 O LYS A 84 5.193 -10.375 -1.942 1.00 0.00 O ATOM 1368 CB LYS A 84 4.754 -10.989 -5.172 1.00 0.00 C ATOM 1369 CG LYS A 84 5.354 -12.079 -6.043 1.00 0.00 C ATOM 1370 CD LYS A 84 5.859 -11.524 -7.364 1.00 0.00 C ATOM 1371 CE LYS A 84 4.799 -10.681 -8.056 1.00 0.00 C ATOM 1372 NZ LYS A 84 5.059 -10.554 -9.517 1.00 0.00 N ATOM 0 H LYS A 84 2.415 -11.734 -4.864 1.00 0.00 H new ATOM 0 HA LYS A 84 4.842 -12.330 -3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.941 -10.508 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.510 -10.225 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.176 -12.559 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.605 -12.847 -6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.749 -10.920 -7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.155 -12.346 -8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.818 -11.130 -7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.771 -9.689 -7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.315 -9.973 -9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.984 -10.102 -9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.060 -11.498 -9.953 1.00 0.00 H new ATOM 1386 N VAL A 85 3.352 -9.456 -2.852 1.00 0.00 N ATOM 1387 CA VAL A 85 3.310 -8.342 -1.912 1.00 0.00 C ATOM 1388 C VAL A 85 2.994 -8.826 -0.501 1.00 0.00 C ATOM 1389 O VAL A 85 3.541 -8.318 0.478 1.00 0.00 O ATOM 1390 CB VAL A 85 2.261 -7.294 -2.330 1.00 0.00 C ATOM 1391 CG1 VAL A 85 2.371 -6.052 -1.460 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.420 -6.941 -3.801 1.00 0.00 C ATOM 0 H VAL A 85 2.604 -9.451 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 85 4.298 -7.881 -1.923 1.00 0.00 H new ATOM 0 HB VAL A 85 1.268 -7.721 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.622 -5.323 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.204 -6.322 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.365 -5.619 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.671 -6.200 -4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.416 -6.533 -3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.286 -7.837 -4.407 1.00 0.00 H new ATOM 1402 N LEU A 86 2.108 -9.811 -0.404 1.00 0.00 N ATOM 1403 CA LEU A 86 1.718 -10.365 0.888 1.00 0.00 C ATOM 1404 C LEU A 86 2.821 -11.256 1.453 1.00 0.00 C ATOM 1405 O LEU A 86 3.268 -11.066 2.584 1.00 0.00 O ATOM 1406 CB LEU A 86 0.421 -11.165 0.752 1.00 0.00 C ATOM 1407 CG LEU A 86 -0.875 -10.379 0.955 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.061 -9.359 -0.158 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.067 -11.324 1.018 1.00 0.00 C ATOM 0 H LEU A 86 1.646 -10.243 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 86 1.556 -9.536 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.398 -11.616 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.444 -11.982 1.473 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.808 -9.845 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.988 -8.809 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.222 -8.663 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.106 -9.873 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.981 -10.748 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.136 -11.885 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.939 -12.016 1.850 1.00 0.00 H new ATOM 1421 N LYS A 87 3.256 -12.227 0.657 1.00 0.00 N ATOM 1422 CA LYS A 87 4.309 -13.145 1.075 1.00 0.00 C ATOM 1423 C LYS A 87 5.564 -12.382 1.486 1.00 0.00 C ATOM 1424 O LYS A 87 6.256 -12.767 2.428 1.00 0.00 O ATOM 1425 CB LYS A 87 4.639 -14.123 -0.055 1.00 0.00 C ATOM 1426 CG LYS A 87 3.620 -15.238 -0.211 1.00 0.00 C ATOM 1427 CD LYS A 87 3.645 -16.187 0.975 1.00 0.00 C ATOM 1428 CE LYS A 87 3.207 -17.588 0.578 1.00 0.00 C ATOM 1429 NZ LYS A 87 4.336 -18.386 0.023 1.00 0.00 N ATOM 0 H LYS A 87 2.895 -12.399 -0.282 1.00 0.00 H new ATOM 0 HA LYS A 87 3.948 -13.705 1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.708 -13.572 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.620 -14.562 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.623 -14.809 -0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.824 -15.793 -1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.652 -16.224 1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.989 -15.808 1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.794 -18.099 1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.410 -17.523 -0.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.997 -19.334 -0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.714 -17.911 -0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.086 -18.470 0.738 1.00 0.00 H new ATOM 1443 N GLY A 88 5.853 -11.298 0.773 1.00 0.00 N ATOM 1444 CA GLY A 88 7.024 -10.498 1.079 1.00 0.00 C ATOM 1445 C GLY A 88 7.836 -10.162 -0.156 1.00 0.00 C ATOM 1446 O GLY A 88 8.513 -9.136 -0.201 1.00 0.00 O ATOM 0 H GLY A 88 5.296 -10.959 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.712 -9.575 1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.653 -11.036 1.788 1.00 0.00 H new ATOM 1450 N GLU A 89 7.771 -11.032 -1.160 1.00 0.00 N ATOM 1451 CA GLU A 89 8.509 -10.822 -2.400 1.00 0.00 C ATOM 1452 C GLU A 89 8.585 -9.337 -2.744 1.00 0.00 C ATOM 1453 O GLU A 89 9.670 -8.783 -2.917 1.00 0.00 O ATOM 1454 CB GLU A 89 7.849 -11.589 -3.548 1.00 0.00 C ATOM 1455 CG GLU A 89 8.081 -13.090 -3.489 1.00 0.00 C ATOM 1456 CD GLU A 89 9.553 -13.454 -3.509 1.00 0.00 C ATOM 1457 OE1 GLU A 89 10.161 -13.523 -2.420 1.00 0.00 O ATOM 1458 OE2 GLU A 89 10.096 -13.669 -4.612 1.00 0.00 O ATOM 0 H GLU A 89 7.216 -11.887 -1.139 1.00 0.00 H new ATOM 0 HA GLU A 89 9.523 -11.196 -2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.777 -11.395 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.230 -11.208 -4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.624 -13.489 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.582 -13.565 -4.334 1.00 0.00 H new ATOM 1465 N VAL A 90 7.423 -8.698 -2.841 1.00 0.00 N ATOM 1466 CA VAL A 90 7.357 -7.278 -3.164 1.00 0.00 C ATOM 1467 C VAL A 90 6.973 -6.454 -1.940 1.00 0.00 C ATOM 1468 O VAL A 90 6.076 -6.826 -1.183 1.00 0.00 O ATOM 1469 CB VAL A 90 6.343 -7.005 -4.291 1.00 0.00 C ATOM 1470 CG1 VAL A 90 5.970 -5.531 -4.329 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.904 -7.456 -5.631 1.00 0.00 C ATOM 0 H VAL A 90 6.515 -9.141 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 90 8.351 -6.983 -3.500 1.00 0.00 H new ATOM 0 HB VAL A 90 5.438 -7.578 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.253 -5.358 -5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.525 -5.244 -3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.864 -4.934 -4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.175 -7.256 -6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.824 -6.911 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.115 -8.525 -5.596 1.00 0.00 H new ATOM 1481 N THR A 91 7.658 -5.331 -1.751 1.00 0.00 N ATOM 1482 CA THR A 91 7.390 -4.453 -0.618 1.00 0.00 C ATOM 1483 C THR A 91 6.345 -3.402 -0.973 1.00 0.00 C ATOM 1484 O THR A 91 6.146 -3.057 -2.138 1.00 0.00 O ATOM 1485 CB THR A 91 8.672 -3.745 -0.141 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.567 -3.555 -1.243 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.364 -4.553 0.946 1.00 0.00 C ATOM 0 H THR A 91 8.403 -5.007 -2.368 1.00 0.00 H new ATOM 0 HA THR A 91 7.010 -5.082 0.187 1.00 0.00 H new ATOM 0 HB THR A 91 8.392 -2.775 0.271 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.379 -3.103 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.267 -4.033 1.267 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.692 -4.671 1.796 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.630 -5.535 0.555 1.00 0.00 H new ATOM 1495 N PRO A 92 5.659 -2.879 0.054 1.00 0.00 N ATOM 1496 CA PRO A 92 4.622 -1.858 -0.124 1.00 0.00 C ATOM 1497 C PRO A 92 5.200 -0.513 -0.551 1.00 0.00 C ATOM 1498 O PRO A 92 4.464 0.397 -0.930 1.00 0.00 O ATOM 1499 CB PRO A 92 3.986 -1.751 1.264 1.00 0.00 C ATOM 1500 CG PRO A 92 5.053 -2.196 2.204 1.00 0.00 C ATOM 1501 CD PRO A 92 5.843 -3.244 1.469 1.00 0.00 C ATOM 0 HA PRO A 92 3.917 -2.127 -0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.671 -0.730 1.478 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.100 -2.381 1.343 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.690 -1.361 2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.622 -2.603 3.119 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.895 -3.228 1.755 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.471 -4.247 1.677 1.00 0.00 H new ATOM 1509 N ASP A 93 6.522 -0.395 -0.486 1.00 0.00 N ATOM 1510 CA ASP A 93 7.199 0.839 -0.867 1.00 0.00 C ATOM 1511 C ASP A 93 7.656 0.781 -2.321 1.00 0.00 C ATOM 1512 O ASP A 93 7.612 1.782 -3.037 1.00 0.00 O ATOM 1513 CB ASP A 93 8.398 1.091 0.048 1.00 0.00 C ATOM 1514 CG ASP A 93 9.304 2.188 -0.474 1.00 0.00 C ATOM 1515 OD1 ASP A 93 9.975 1.964 -1.504 1.00 0.00 O ATOM 1516 OD2 ASP A 93 9.344 3.271 0.147 1.00 0.00 O ATOM 0 H ASP A 93 7.146 -1.139 -0.173 1.00 0.00 H new ATOM 0 HA ASP A 93 6.491 1.661 -0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.042 1.360 1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.971 0.170 0.153 1.00 0.00 H new ATOM 1521 N HIS A 94 8.095 -0.397 -2.752 1.00 0.00 N ATOM 1522 CA HIS A 94 8.561 -0.586 -4.121 1.00 0.00 C ATOM 1523 C HIS A 94 7.390 -0.860 -5.060 1.00 0.00 C ATOM 1524 O HIS A 94 7.475 -0.614 -6.264 1.00 0.00 O ATOM 1525 CB HIS A 94 9.564 -1.738 -4.188 1.00 0.00 C ATOM 1526 CG HIS A 94 10.570 -1.593 -5.287 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.627 -0.709 -5.229 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.678 -2.227 -6.478 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.340 -0.805 -6.336 1.00 0.00 C ATOM 1530 NE2 HIS A 94 11.786 -1.720 -7.111 1.00 0.00 N ATOM 0 H HIS A 94 8.138 -1.235 -2.173 1.00 0.00 H new ATOM 0 HA HIS A 94 9.054 0.332 -4.440 1.00 0.00 H new ATOM 0 HB2 HIS A 94 10.087 -1.809 -3.235 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.022 -2.674 -4.324 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.016 -2.990 -6.860 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.226 -0.233 -6.568 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.126 -2.004 -8.030 1.00 0.00 H new ATOM 1539 N LEU A 95 6.299 -1.373 -4.503 1.00 0.00 N ATOM 1540 CA LEU A 95 5.110 -1.682 -5.291 1.00 0.00 C ATOM 1541 C LEU A 95 4.677 -0.476 -6.119 1.00 0.00 C ATOM 1542 O LEU A 95 3.976 -0.619 -7.121 1.00 0.00 O ATOM 1543 CB LEU A 95 3.967 -2.123 -4.374 1.00 0.00 C ATOM 1544 CG LEU A 95 2.580 -2.188 -5.015 1.00 0.00 C ATOM 1545 CD1 LEU A 95 2.444 -3.440 -5.867 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.497 -2.146 -3.947 1.00 0.00 C ATOM 0 H LEU A 95 6.212 -1.584 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 95 5.357 -2.497 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.207 -3.108 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.922 -1.438 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 95 2.458 -1.319 -5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.451 -3.469 -6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.197 -3.428 -6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.586 -4.322 -5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.517 -2.193 -4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.616 -2.995 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.581 -1.219 -3.379 1.00 0.00 H new ATOM 1558 N ILE A 96 5.101 0.709 -5.695 1.00 0.00 N ATOM 1559 CA ILE A 96 4.759 1.939 -6.399 1.00 0.00 C ATOM 1560 C ILE A 96 5.718 2.193 -7.557 1.00 0.00 C ATOM 1561 O ILE A 96 5.292 2.427 -8.689 1.00 0.00 O ATOM 1562 CB ILE A 96 4.780 3.154 -5.453 1.00 0.00 C ATOM 1563 CG1 ILE A 96 4.050 2.826 -4.150 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.152 4.363 -6.130 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.343 3.801 -3.031 1.00 0.00 C ATOM 0 H ILE A 96 5.682 0.844 -4.868 1.00 0.00 H new ATOM 0 HA ILE A 96 3.749 1.810 -6.788 1.00 0.00 H new ATOM 0 HB ILE A 96 5.817 3.393 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.976 2.813 -4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.330 1.823 -3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.174 5.214 -5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.712 4.606 -7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.119 4.136 -6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.792 3.506 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.411 3.797 -2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.037 4.803 -3.332 1.00 0.00 H new ATOM 1577 N ARG A 97 7.014 2.144 -7.267 1.00 0.00 N ATOM 1578 CA ARG A 97 8.033 2.369 -8.285 1.00 0.00 C ATOM 1579 C ARG A 97 7.874 1.385 -9.441 1.00 0.00 C ATOM 1580 O ARG A 97 8.349 1.632 -10.549 1.00 0.00 O ATOM 1581 CB ARG A 97 9.430 2.234 -7.676 1.00 0.00 C ATOM 1582 CG ARG A 97 9.729 3.268 -6.602 1.00 0.00 C ATOM 1583 CD ARG A 97 11.215 3.327 -6.285 1.00 0.00 C ATOM 1584 NE ARG A 97 11.916 4.294 -7.126 1.00 0.00 N ATOM 1585 CZ ARG A 97 13.222 4.250 -7.364 1.00 0.00 C ATOM 1586 NH1 ARG A 97 13.965 3.291 -6.828 1.00 0.00 N ATOM 1587 NH2 ARG A 97 13.787 5.165 -8.141 1.00 0.00 N ATOM 0 H ARG A 97 7.383 1.951 -6.336 1.00 0.00 H new ATOM 0 HA ARG A 97 7.908 3.380 -8.671 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.536 1.237 -7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.173 2.321 -8.469 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.387 4.248 -6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.172 3.026 -5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.352 3.592 -5.237 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.655 2.339 -6.424 1.00 0.00 H new ATOM 0 HE ARG A 97 11.373 5.044 -7.554 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.534 2.585 -6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.968 3.259 -7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.218 5.903 -8.556 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.790 5.130 -8.323 1.00 0.00 H new ATOM 1601 N MET A 98 7.202 0.270 -9.173 1.00 0.00 N ATOM 1602 CA MET A 98 6.980 -0.750 -10.192 1.00 0.00 C ATOM 1603 C MET A 98 6.441 -0.128 -11.476 1.00 0.00 C ATOM 1604 O MET A 98 5.821 0.935 -11.449 1.00 0.00 O ATOM 1605 CB MET A 98 6.004 -1.811 -9.677 1.00 0.00 C ATOM 1606 CG MET A 98 6.538 -2.605 -8.496 1.00 0.00 C ATOM 1607 SD MET A 98 5.699 -4.187 -8.286 1.00 0.00 S ATOM 1608 CE MET A 98 6.717 -5.248 -9.308 1.00 0.00 C ATOM 0 H MET A 98 6.802 0.050 -8.261 1.00 0.00 H new ATOM 0 HA MET A 98 7.937 -1.222 -10.412 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.072 -1.326 -9.387 1.00 0.00 H new ATOM 0 HB3 MET A 98 5.766 -2.498 -10.489 1.00 0.00 H new ATOM 0 HG2 MET A 98 7.605 -2.780 -8.633 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.426 -2.015 -7.586 1.00 0.00 H new ATOM 0 HE1 MET A 98 6.325 -6.265 -9.281 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.707 -4.882 -10.335 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.740 -5.244 -8.931 1.00 0.00 H new ATOM 1618 N SER A 99 6.683 -0.797 -12.599 1.00 0.00 N ATOM 1619 CA SER A 99 6.226 -0.307 -13.894 1.00 0.00 C ATOM 1620 C SER A 99 4.942 -1.012 -14.319 1.00 0.00 C ATOM 1621 O SER A 99 4.636 -2.119 -13.877 1.00 0.00 O ATOM 1622 CB SER A 99 7.310 -0.515 -14.953 1.00 0.00 C ATOM 1623 OG SER A 99 8.347 0.440 -14.816 1.00 0.00 O ATOM 0 H SER A 99 7.193 -1.680 -12.638 1.00 0.00 H new ATOM 0 HA SER A 99 6.020 0.759 -13.799 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.723 -1.520 -14.863 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.870 -0.439 -15.948 1.00 0.00 H new ATOM 0 HG SER A 99 9.028 0.284 -15.503 1.00 0.00 H new ATOM 1629 N PRO A 100 4.170 -0.355 -15.198 1.00 0.00 N ATOM 1630 CA PRO A 100 2.906 -0.899 -15.703 1.00 0.00 C ATOM 1631 C PRO A 100 3.118 -2.091 -16.630 1.00 0.00 C ATOM 1632 O PRO A 100 2.245 -2.949 -16.761 1.00 0.00 O ATOM 1633 CB PRO A 100 2.297 0.275 -16.473 1.00 0.00 C ATOM 1634 CG PRO A 100 3.463 1.113 -16.872 1.00 0.00 C ATOM 1635 CD PRO A 100 4.473 0.969 -15.767 1.00 0.00 C ATOM 0 HA PRO A 100 2.273 -1.273 -14.899 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.740 -0.069 -17.345 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.600 0.837 -15.851 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.876 0.780 -17.824 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.170 2.155 -16.999 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.494 1.019 -16.146 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.370 1.759 -15.023 1.00 0.00 H new ATOM 1643 N GLU A 101 4.281 -2.138 -17.271 1.00 0.00 N ATOM 1644 CA GLU A 101 4.606 -3.226 -18.186 1.00 0.00 C ATOM 1645 C GLU A 101 5.126 -4.441 -17.424 1.00 0.00 C ATOM 1646 O GLU A 101 5.140 -5.554 -17.947 1.00 0.00 O ATOM 1647 CB GLU A 101 5.646 -2.767 -19.210 1.00 0.00 C ATOM 1648 CG GLU A 101 6.222 -3.901 -20.042 1.00 0.00 C ATOM 1649 CD GLU A 101 7.252 -3.423 -21.047 1.00 0.00 C ATOM 1650 OE1 GLU A 101 7.061 -2.327 -21.614 1.00 0.00 O ATOM 1651 OE2 GLU A 101 8.247 -4.144 -21.267 1.00 0.00 O ATOM 0 H GLU A 101 5.014 -1.435 -17.174 1.00 0.00 H new ATOM 0 HA GLU A 101 3.694 -3.512 -18.709 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.190 -2.035 -19.876 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.458 -2.261 -18.689 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.680 -4.636 -19.380 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.413 -4.407 -20.569 1.00 0.00 H new ATOM 1658 N GLU A 102 5.553 -4.217 -16.186 1.00 0.00 N ATOM 1659 CA GLU A 102 6.076 -5.293 -15.352 1.00 0.00 C ATOM 1660 C GLU A 102 4.962 -5.934 -14.529 1.00 0.00 C ATOM 1661 O GLU A 102 4.904 -7.156 -14.389 1.00 0.00 O ATOM 1662 CB GLU A 102 7.171 -4.763 -14.423 1.00 0.00 C ATOM 1663 CG GLU A 102 8.506 -4.547 -15.117 1.00 0.00 C ATOM 1664 CD GLU A 102 9.141 -5.846 -15.575 1.00 0.00 C ATOM 1665 OE1 GLU A 102 9.040 -6.849 -14.838 1.00 0.00 O ATOM 1666 OE2 GLU A 102 9.740 -5.858 -16.671 1.00 0.00 O ATOM 0 H GLU A 102 5.547 -3.301 -15.738 1.00 0.00 H new ATOM 0 HA GLU A 102 6.502 -6.052 -16.008 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.841 -3.820 -13.987 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.308 -5.464 -13.600 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.363 -3.894 -15.978 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.186 -4.034 -14.437 1.00 0.00 H new ATOM 1673 N LEU A 103 4.081 -5.101 -13.987 1.00 0.00 N ATOM 1674 CA LEU A 103 2.968 -5.585 -13.177 1.00 0.00 C ATOM 1675 C LEU A 103 2.318 -6.806 -13.820 1.00 0.00 C ATOM 1676 O LEU A 103 1.758 -7.658 -13.131 1.00 0.00 O ATOM 1677 CB LEU A 103 1.929 -4.478 -12.991 1.00 0.00 C ATOM 1678 CG LEU A 103 2.298 -3.370 -12.004 1.00 0.00 C ATOM 1679 CD1 LEU A 103 1.360 -2.183 -12.159 1.00 0.00 C ATOM 1680 CD2 LEU A 103 2.266 -3.895 -10.576 1.00 0.00 C ATOM 0 H LEU A 103 4.115 -4.087 -14.093 1.00 0.00 H new ATOM 0 HA LEU A 103 3.359 -5.876 -12.202 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.735 -4.022 -13.962 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.996 -4.935 -12.661 1.00 0.00 H new ATOM 0 HG LEU A 103 3.312 -3.037 -12.224 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.638 -1.404 -11.449 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.433 -1.791 -13.174 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.335 -2.501 -11.966 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.531 -3.093 -9.887 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.264 -4.256 -10.344 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.980 -4.712 -10.473 1.00 0.00 H new