USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=22 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 66 TYR OH : rot -68:sc= -1.38 USER MOD Set 1.2: A 70 MET CE :methyl -172:sc= -1.68 (180deg=-1.9) USER MOD Set 1.3: A 74 LYS NZ :NH3+ 150:sc= -2.29! (180deg=-3.05!) USER MOD Single : A 11 GLN : amide:sc=-0.00921 K(o=-0.0092,f=-1.5) USER MOD Single : A 14 GLN : amide:sc=-0.000414 X(o=-0.00041,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.705 K(o=-0.71,f=-0.11) USER MOD Single : A 19 SER OG : rot 76:sc= 0.613 USER MOD Single : A 21 LYS NZ :NH3+ -134:sc= 0.401 (180deg=-1.57!) USER MOD Single : A 25 MET CE :methyl -142:sc= -5.07! (180deg=-13.2!) USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= 0.00372 (180deg=-0.172) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -130:sc= -0.187 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00347) 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 180:sc= 0.0743 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -148:sc= -0.0227 (180deg=-1.15) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= -0.0194 (180deg=-0.196) USER MOD Single : A 64 ASN : amide:sc= -0.245 K(o=-0.25,f=-1.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.935 K(o=-0.93,f=-0.036) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -3.64! C(o=-3.6!,f=-5.5!) USER MOD Single : A 79 ASN : amide:sc= 0.555 K(o=0.55,f=-5.1!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= -4.15! (180deg=-4.29!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -170:sc= -0.949 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 98 MET CE :methyl 152:sc= -0.21 (180deg=-0.919) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -8.184 15.716 1.680 1.00 0.00 N ATOM 78 CA ALA A 9 -7.054 14.846 1.376 1.00 0.00 C ATOM 79 C ALA A 9 -6.974 13.686 2.362 1.00 0.00 C ATOM 80 O ALA A 9 -6.709 12.548 1.975 1.00 0.00 O ATOM 81 CB ALA A 9 -5.758 15.643 1.388 1.00 0.00 C ATOM 0 HA ALA A 9 -7.203 14.431 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.922 14.982 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.810 16.434 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.612 16.085 2.373 1.00 0.00 H new ATOM 87 N ASP A 10 -7.203 13.982 3.637 1.00 0.00 N ATOM 88 CA ASP A 10 -7.157 12.962 4.679 1.00 0.00 C ATOM 89 C ASP A 10 -8.120 11.822 4.366 1.00 0.00 C ATOM 90 O ASP A 10 -7.752 10.650 4.435 1.00 0.00 O ATOM 91 CB ASP A 10 -7.497 13.576 6.038 1.00 0.00 C ATOM 92 CG ASP A 10 -7.820 12.526 7.082 1.00 0.00 C ATOM 93 OD1 ASP A 10 -8.942 11.978 7.047 1.00 0.00 O ATOM 94 OD2 ASP A 10 -6.950 12.251 7.935 1.00 0.00 O ATOM 0 H ASP A 10 -7.422 14.919 3.974 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.145 12.559 4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.657 14.179 6.381 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.348 14.248 5.927 1.00 0.00 H new ATOM 99 N GLN A 11 -9.355 12.174 4.024 1.00 0.00 N ATOM 100 CA GLN A 11 -10.372 11.179 3.703 1.00 0.00 C ATOM 101 C GLN A 11 -9.944 10.329 2.511 1.00 0.00 C ATOM 102 O GLN A 11 -9.966 9.100 2.573 1.00 0.00 O ATOM 103 CB GLN A 11 -11.708 11.862 3.404 1.00 0.00 C ATOM 104 CG GLN A 11 -12.860 10.889 3.218 1.00 0.00 C ATOM 105 CD GLN A 11 -13.428 10.398 4.536 1.00 0.00 C ATOM 106 OE1 GLN A 11 -12.885 10.684 5.604 1.00 0.00 O ATOM 107 NE2 GLN A 11 -14.527 9.656 4.467 1.00 0.00 N ATOM 0 H GLN A 11 -9.676 13.140 3.962 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.492 10.526 4.568 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.948 12.545 4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.604 12.466 2.503 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.650 11.373 2.644 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -12.518 10.035 2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -14.943 9.444 3.560 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.955 9.298 5.321 1.00 0.00 H new ATOM 116 N ILE A 12 -9.557 10.992 1.426 1.00 0.00 N ATOM 117 CA ILE A 12 -9.123 10.297 0.221 1.00 0.00 C ATOM 118 C ILE A 12 -8.201 9.131 0.560 1.00 0.00 C ATOM 119 O ILE A 12 -8.488 7.982 0.225 1.00 0.00 O ATOM 120 CB ILE A 12 -8.395 11.249 -0.747 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.328 12.381 -1.183 1.00 0.00 C ATOM 122 CG2 ILE A 12 -7.882 10.483 -1.957 1.00 0.00 C ATOM 123 CD1 ILE A 12 -8.610 13.533 -1.849 1.00 0.00 C ATOM 0 H ILE A 12 -9.535 12.009 1.357 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.022 9.916 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.541 11.686 -0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.074 11.982 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.866 12.754 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.370 11.169 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.187 9.709 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.721 10.021 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.333 14.298 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.884 13.958 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.095 13.174 -2.740 1.00 0.00 H new ATOM 135 N ARG A 13 -7.093 9.435 1.227 1.00 0.00 N ATOM 136 CA ARG A 13 -6.128 8.413 1.613 1.00 0.00 C ATOM 137 C ARG A 13 -6.813 7.274 2.363 1.00 0.00 C ATOM 138 O ARG A 13 -6.588 6.101 2.069 1.00 0.00 O ATOM 139 CB ARG A 13 -5.027 9.022 2.483 1.00 0.00 C ATOM 140 CG ARG A 13 -4.303 10.184 1.824 1.00 0.00 C ATOM 141 CD ARG A 13 -3.754 11.156 2.857 1.00 0.00 C ATOM 142 NE ARG A 13 -2.855 10.500 3.803 1.00 0.00 N ATOM 143 CZ ARG A 13 -2.277 11.126 4.822 1.00 0.00 C ATOM 144 NH1 ARG A 13 -2.504 12.416 5.027 1.00 0.00 N ATOM 145 NH2 ARG A 13 -1.472 10.460 5.640 1.00 0.00 N ATOM 0 H ARG A 13 -6.841 10.382 1.512 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.681 8.010 0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.464 9.363 3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.302 8.247 2.732 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.486 9.804 1.210 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.987 10.709 1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.222 11.961 2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.581 11.613 3.400 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.660 9.507 3.674 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.124 12.930 4.401 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.059 12.894 5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.297 9.467 5.486 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.028 10.941 6.422 1.00 0.00 H new ATOM 159 N GLN A 14 -7.649 7.630 3.333 1.00 0.00 N ATOM 160 CA GLN A 14 -8.366 6.638 4.126 1.00 0.00 C ATOM 161 C GLN A 14 -9.132 5.674 3.227 1.00 0.00 C ATOM 162 O GLN A 14 -8.932 4.461 3.288 1.00 0.00 O ATOM 163 CB GLN A 14 -9.329 7.327 5.094 1.00 0.00 C ATOM 164 CG GLN A 14 -10.212 6.359 5.865 1.00 0.00 C ATOM 165 CD GLN A 14 -11.065 7.052 6.909 1.00 0.00 C ATOM 166 OE1 GLN A 14 -12.293 7.066 6.815 1.00 0.00 O ATOM 167 NE2 GLN A 14 -10.417 7.633 7.912 1.00 0.00 N ATOM 0 H GLN A 14 -7.847 8.597 3.589 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.634 6.068 4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.754 7.924 5.802 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.962 8.017 4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.859 5.828 5.167 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.586 5.611 6.351 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.398 7.597 7.950 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.938 8.115 8.644 1.00 0.00 H new ATOM 176 N SER A 15 -10.011 6.221 2.393 1.00 0.00 N ATOM 177 CA SER A 15 -10.812 5.409 1.485 1.00 0.00 C ATOM 178 C SER A 15 -9.923 4.486 0.656 1.00 0.00 C ATOM 179 O SER A 15 -10.230 3.307 0.475 1.00 0.00 O ATOM 180 CB SER A 15 -11.639 6.304 0.561 1.00 0.00 C ATOM 181 OG SER A 15 -12.895 6.613 1.141 1.00 0.00 O ATOM 0 H SER A 15 -10.186 7.224 2.328 1.00 0.00 H new ATOM 0 HA SER A 15 -11.486 4.796 2.083 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.093 7.225 0.357 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.790 5.804 -0.396 1.00 0.00 H new ATOM 0 HG SER A 15 -13.404 7.188 0.532 1.00 0.00 H new ATOM 187 N VAL A 16 -8.820 5.032 0.153 1.00 0.00 N ATOM 188 CA VAL A 16 -7.886 4.259 -0.657 1.00 0.00 C ATOM 189 C VAL A 16 -7.472 2.976 0.056 1.00 0.00 C ATOM 190 O VAL A 16 -7.551 1.886 -0.511 1.00 0.00 O ATOM 191 CB VAL A 16 -6.624 5.076 -0.991 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.568 4.190 -1.634 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.973 6.247 -1.898 1.00 0.00 C ATOM 0 H VAL A 16 -8.552 6.006 0.292 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.403 4.007 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.214 5.474 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.684 4.785 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.298 3.388 -0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.964 3.761 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.070 6.814 -2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.408 5.872 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.692 6.895 -1.396 1.00 0.00 H new ATOM 203 N ARG A 17 -7.032 3.113 1.302 1.00 0.00 N ATOM 204 CA ARG A 17 -6.605 1.965 2.092 1.00 0.00 C ATOM 205 C ARG A 17 -7.633 0.840 2.016 1.00 0.00 C ATOM 206 O ARG A 17 -7.389 -0.198 1.400 1.00 0.00 O ATOM 207 CB ARG A 17 -6.388 2.374 3.550 1.00 0.00 C ATOM 208 CG ARG A 17 -5.386 3.504 3.723 1.00 0.00 C ATOM 209 CD ARG A 17 -4.931 3.628 5.169 1.00 0.00 C ATOM 210 NE ARG A 17 -6.035 3.964 6.063 1.00 0.00 N ATOM 211 CZ ARG A 17 -6.030 3.707 7.366 1.00 0.00 C ATOM 212 NH1 ARG A 17 -4.983 3.115 7.924 1.00 0.00 N ATOM 213 NH2 ARG A 17 -7.073 4.043 8.115 1.00 0.00 N ATOM 0 H ARG A 17 -6.962 4.008 1.786 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.663 1.602 1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.343 2.678 3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.046 1.507 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.522 3.327 3.082 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.835 4.443 3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.479 2.689 5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.159 4.394 5.242 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.855 4.421 5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.179 2.856 7.352 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.982 2.919 8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.880 4.499 7.690 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.067 3.845 9.116 1.00 0.00 H new ATOM 227 N HIS A 18 -8.784 1.053 2.647 1.00 0.00 N ATOM 228 CA HIS A 18 -9.849 0.057 2.651 1.00 0.00 C ATOM 229 C HIS A 18 -9.988 -0.595 1.279 1.00 0.00 C ATOM 230 O HIS A 18 -10.106 -1.816 1.170 1.00 0.00 O ATOM 231 CB HIS A 18 -11.175 0.700 3.059 1.00 0.00 C ATOM 232 CG HIS A 18 -12.309 -0.274 3.154 1.00 0.00 C ATOM 233 ND1 HIS A 18 -12.917 -0.609 4.346 1.00 0.00 N ATOM 234 CD2 HIS A 18 -12.947 -0.985 2.195 1.00 0.00 C ATOM 235 CE1 HIS A 18 -13.878 -1.485 4.116 1.00 0.00 C ATOM 236 NE2 HIS A 18 -13.918 -1.730 2.819 1.00 0.00 N ATOM 0 H HIS A 18 -9.002 1.906 3.162 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.589 -0.714 3.376 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.049 1.193 4.023 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.432 1.474 2.336 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.733 -0.969 1.137 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.522 -1.926 4.862 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.565 -2.369 2.356 1.00 0.00 H new ATOM 245 N SER A 19 -9.974 0.226 0.234 1.00 0.00 N ATOM 246 CA SER A 19 -10.103 -0.270 -1.131 1.00 0.00 C ATOM 247 C SER A 19 -9.010 -1.288 -1.444 1.00 0.00 C ATOM 248 O SER A 19 -9.286 -2.382 -1.936 1.00 0.00 O ATOM 249 CB SER A 19 -10.036 0.889 -2.127 1.00 0.00 C ATOM 250 OG SER A 19 -11.090 1.811 -1.907 1.00 0.00 O ATOM 0 H SER A 19 -9.875 1.239 0.307 1.00 0.00 H new ATOM 0 HA SER A 19 -11.071 -0.762 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.077 1.399 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.093 0.502 -3.144 1.00 0.00 H new ATOM 0 HG SER A 19 -10.887 2.358 -1.120 1.00 0.00 H new ATOM 256 N LEU A 20 -7.767 -0.918 -1.156 1.00 0.00 N ATOM 257 CA LEU A 20 -6.630 -1.798 -1.406 1.00 0.00 C ATOM 258 C LEU A 20 -6.783 -3.115 -0.652 1.00 0.00 C ATOM 259 O LEU A 20 -6.555 -4.190 -1.206 1.00 0.00 O ATOM 260 CB LEU A 20 -5.327 -1.110 -0.993 1.00 0.00 C ATOM 261 CG LEU A 20 -4.837 0.008 -1.915 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.747 0.821 -1.234 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.333 -0.568 -3.230 1.00 0.00 C ATOM 0 H LEU A 20 -7.521 -0.016 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.598 -2.014 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.459 -0.697 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.545 -1.867 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.676 0.670 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.410 1.612 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.141 1.264 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.907 0.171 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.988 0.241 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.508 -1.253 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.141 -1.106 -3.725 1.00 0.00 H new ATOM 275 N LYS A 21 -7.174 -3.023 0.615 1.00 0.00 N ATOM 276 CA LYS A 21 -7.363 -4.207 1.445 1.00 0.00 C ATOM 277 C LYS A 21 -8.527 -5.050 0.935 1.00 0.00 C ATOM 278 O LYS A 21 -8.505 -6.277 1.028 1.00 0.00 O ATOM 279 CB LYS A 21 -7.613 -3.800 2.899 1.00 0.00 C ATOM 280 CG LYS A 21 -7.415 -4.934 3.890 1.00 0.00 C ATOM 281 CD LYS A 21 -7.700 -4.486 5.314 1.00 0.00 C ATOM 282 CE LYS A 21 -9.189 -4.284 5.548 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.915 -5.579 5.651 1.00 0.00 N ATOM 0 H LYS A 21 -7.366 -2.141 1.089 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.454 -4.806 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.943 -2.980 3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.631 -3.421 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.072 -5.764 3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.392 -5.304 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.318 -5.230 6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.169 -3.556 5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.338 -3.710 6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.608 -3.697 4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.778 -5.540 5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.304 -6.348 5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.171 -5.755 6.643 1.00 0.00 H new ATOM 297 N ASP A 22 -9.542 -4.383 0.395 1.00 0.00 N ATOM 298 CA ASP A 22 -10.714 -5.072 -0.133 1.00 0.00 C ATOM 299 C ASP A 22 -10.306 -6.175 -1.104 1.00 0.00 C ATOM 300 O ASP A 22 -10.663 -7.339 -0.922 1.00 0.00 O ATOM 301 CB ASP A 22 -11.644 -4.078 -0.832 1.00 0.00 C ATOM 302 CG ASP A 22 -13.083 -4.555 -0.863 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.449 -5.272 -1.818 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.843 -4.210 0.066 1.00 0.00 O ATOM 0 H ASP A 22 -9.577 -3.367 0.312 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.244 -5.528 0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.594 -3.117 -0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.296 -3.915 -1.852 1.00 0.00 H new ATOM 309 N ILE A 23 -9.556 -5.800 -2.135 1.00 0.00 N ATOM 310 CA ILE A 23 -9.099 -6.758 -3.134 1.00 0.00 C ATOM 311 C ILE A 23 -8.276 -7.871 -2.493 1.00 0.00 C ATOM 312 O ILE A 23 -8.681 -9.034 -2.490 1.00 0.00 O ATOM 313 CB ILE A 23 -8.255 -6.074 -4.225 1.00 0.00 C ATOM 314 CG1 ILE A 23 -9.154 -5.275 -5.171 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.450 -7.108 -4.999 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.388 -4.440 -6.172 1.00 0.00 C ATOM 0 H ILE A 23 -9.252 -4.840 -2.300 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.991 -7.186 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.560 -5.385 -3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.806 -5.964 -5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.797 -4.622 -4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.859 -6.609 -5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.785 -7.637 -4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.129 -7.820 -5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.090 -3.901 -6.809 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.757 -3.726 -5.643 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.765 -5.090 -6.787 1.00 0.00 H new ATOM 328 N LEU A 24 -7.120 -7.506 -1.950 1.00 0.00 N ATOM 329 CA LEU A 24 -6.240 -8.473 -1.304 1.00 0.00 C ATOM 330 C LEU A 24 -7.022 -9.367 -0.347 1.00 0.00 C ATOM 331 O LEU A 24 -6.736 -10.557 -0.221 1.00 0.00 O ATOM 332 CB LEU A 24 -5.124 -7.750 -0.547 1.00 0.00 C ATOM 333 CG LEU A 24 -4.319 -6.729 -1.352 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.605 -5.760 -0.423 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.322 -7.433 -2.260 1.00 0.00 C ATOM 0 H LEU A 24 -6.770 -6.548 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.799 -9.100 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.565 -7.241 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.435 -8.498 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.009 -6.160 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.037 -5.041 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.339 -5.231 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.926 -6.312 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.758 -6.691 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.636 -8.027 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.856 -8.086 -2.950 1.00 0.00 H new ATOM 347 N MET A 25 -8.011 -8.785 0.323 1.00 0.00 N ATOM 348 CA MET A 25 -8.837 -9.531 1.266 1.00 0.00 C ATOM 349 C MET A 25 -9.573 -10.667 0.563 1.00 0.00 C ATOM 350 O MET A 25 -9.780 -11.736 1.138 1.00 0.00 O ATOM 351 CB MET A 25 -9.843 -8.598 1.944 1.00 0.00 C ATOM 352 CG MET A 25 -9.261 -7.825 3.116 1.00 0.00 C ATOM 353 SD MET A 25 -9.373 -8.732 4.670 1.00 0.00 S ATOM 354 CE MET A 25 -7.650 -9.132 4.954 1.00 0.00 C ATOM 0 H MET A 25 -8.260 -7.800 0.231 1.00 0.00 H new ATOM 0 HA MET A 25 -8.182 -9.960 2.024 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.225 -7.891 1.207 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.693 -9.185 2.293 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.216 -7.592 2.910 1.00 0.00 H new ATOM 0 HG3 MET A 25 -9.785 -6.875 3.216 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.574 -10.134 5.377 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.107 -9.095 4.009 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.219 -8.411 5.649 1.00 0.00 H new ATOM 364 N LYS A 26 -9.968 -10.430 -0.683 1.00 0.00 N ATOM 365 CA LYS A 26 -10.680 -11.433 -1.465 1.00 0.00 C ATOM 366 C LYS A 26 -9.702 -12.356 -2.185 1.00 0.00 C ATOM 367 O LYS A 26 -10.024 -13.507 -2.481 1.00 0.00 O ATOM 368 CB LYS A 26 -11.602 -10.757 -2.482 1.00 0.00 C ATOM 369 CG LYS A 26 -11.965 -11.645 -3.659 1.00 0.00 C ATOM 370 CD LYS A 26 -10.971 -11.496 -4.798 1.00 0.00 C ATOM 371 CE LYS A 26 -11.544 -12.011 -6.109 1.00 0.00 C ATOM 372 NZ LYS A 26 -11.567 -13.499 -6.158 1.00 0.00 N ATOM 0 H LYS A 26 -9.807 -9.550 -1.174 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.281 -12.032 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.517 -10.444 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.118 -9.854 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.995 -12.685 -3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.965 -11.392 -4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.696 -10.447 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.058 -12.042 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.556 -11.628 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.950 -11.629 -6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.735 -13.812 -7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.654 -13.871 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.328 -13.855 -5.545 1.00 0.00 H new ATOM 386 N ARG A 27 -8.508 -11.845 -2.463 1.00 0.00 N ATOM 387 CA ARG A 27 -7.483 -12.624 -3.148 1.00 0.00 C ATOM 388 C ARG A 27 -6.803 -13.594 -2.186 1.00 0.00 C ATOM 389 O ARG A 27 -6.279 -14.629 -2.598 1.00 0.00 O ATOM 390 CB ARG A 27 -6.441 -11.697 -3.775 1.00 0.00 C ATOM 391 CG ARG A 27 -7.033 -10.673 -4.730 1.00 0.00 C ATOM 392 CD ARG A 27 -7.605 -11.336 -5.973 1.00 0.00 C ATOM 393 NE ARG A 27 -6.556 -11.781 -6.888 1.00 0.00 N ATOM 394 CZ ARG A 27 -6.798 -12.410 -8.032 1.00 0.00 C ATOM 395 NH1 ARG A 27 -8.045 -12.667 -8.401 1.00 0.00 N ATOM 396 NH2 ARG A 27 -5.790 -12.784 -8.811 1.00 0.00 N ATOM 0 H ARG A 27 -8.226 -10.894 -2.224 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.967 -13.200 -3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.907 -11.175 -2.981 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.707 -12.299 -4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.817 -10.111 -4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.264 -9.957 -5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.216 -12.189 -5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.262 -10.635 -6.488 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.585 -11.598 -6.634 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.822 -12.381 -7.805 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.227 -13.150 -9.281 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.829 -12.588 -8.531 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.977 -13.267 -9.690 1.00 0.00 H new ATOM 410 N LEU A 28 -6.816 -13.251 -0.902 1.00 0.00 N ATOM 411 CA LEU A 28 -6.200 -14.091 0.120 1.00 0.00 C ATOM 412 C LEU A 28 -7.162 -15.180 0.581 1.00 0.00 C ATOM 413 O LEU A 28 -6.747 -16.294 0.906 1.00 0.00 O ATOM 414 CB LEU A 28 -5.765 -13.239 1.314 1.00 0.00 C ATOM 415 CG LEU A 28 -6.864 -12.871 2.311 1.00 0.00 C ATOM 416 CD1 LEU A 28 -7.068 -13.993 3.318 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.525 -11.569 3.022 1.00 0.00 C ATOM 0 H LEU A 28 -7.246 -12.398 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.323 -14.568 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.980 -13.773 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.322 -12.318 0.935 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.795 -12.730 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.854 -13.714 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.357 -14.904 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.140 -14.166 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.318 -11.323 3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.583 -11.682 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.430 -10.768 2.289 1.00 0.00 H new ATOM 429 N THR A 29 -8.450 -14.854 0.607 1.00 0.00 N ATOM 430 CA THR A 29 -9.472 -15.804 1.027 1.00 0.00 C ATOM 431 C THR A 29 -9.805 -16.784 -0.092 1.00 0.00 C ATOM 432 O THR A 29 -10.180 -17.929 0.163 1.00 0.00 O ATOM 433 CB THR A 29 -10.762 -15.085 1.466 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.662 -16.020 2.072 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.439 -14.417 0.279 1.00 0.00 C ATOM 0 H THR A 29 -8.811 -13.938 0.342 1.00 0.00 H new ATOM 0 HA THR A 29 -9.064 -16.352 1.876 1.00 0.00 H new ATOM 0 HB THR A 29 -10.495 -14.317 2.191 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.479 -15.555 2.350 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.347 -13.916 0.613 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.762 -13.685 -0.162 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.693 -15.171 -0.466 1.00 0.00 H new ATOM 443 N ASP A 30 -9.666 -16.328 -1.332 1.00 0.00 N ATOM 444 CA ASP A 30 -9.951 -17.166 -2.491 1.00 0.00 C ATOM 445 C ASP A 30 -8.816 -18.155 -2.739 1.00 0.00 C ATOM 446 O ASP A 30 -9.046 -19.282 -3.175 1.00 0.00 O ATOM 447 CB ASP A 30 -10.169 -16.299 -3.732 1.00 0.00 C ATOM 448 CG ASP A 30 -11.610 -15.851 -3.879 1.00 0.00 C ATOM 449 OD1 ASP A 30 -12.131 -15.213 -2.940 1.00 0.00 O ATOM 450 OD2 ASP A 30 -12.217 -16.138 -4.932 1.00 0.00 O ATOM 0 H ASP A 30 -9.358 -15.383 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.861 -17.730 -2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.523 -15.423 -3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.873 -16.859 -4.619 1.00 0.00 H new ATOM 455 N SER A 31 -7.590 -17.723 -2.459 1.00 0.00 N ATOM 456 CA SER A 31 -6.419 -18.569 -2.656 1.00 0.00 C ATOM 457 C SER A 31 -6.140 -19.409 -1.414 1.00 0.00 C ATOM 458 O SER A 31 -6.899 -19.378 -0.447 1.00 0.00 O ATOM 459 CB SER A 31 -5.196 -17.712 -2.991 1.00 0.00 C ATOM 460 OG SER A 31 -5.152 -17.405 -4.374 1.00 0.00 O ATOM 0 H SER A 31 -7.382 -16.793 -2.095 1.00 0.00 H new ATOM 0 HA SER A 31 -6.623 -19.241 -3.489 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.225 -16.789 -2.411 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.287 -18.241 -2.704 1.00 0.00 H new ATOM 0 HG SER A 31 -4.261 -17.612 -4.727 1.00 0.00 H new ATOM 466 N ASN A 32 -5.044 -20.161 -1.450 1.00 0.00 N ATOM 467 CA ASN A 32 -4.664 -21.011 -0.328 1.00 0.00 C ATOM 468 C ASN A 32 -3.803 -20.243 0.670 1.00 0.00 C ATOM 469 O ASN A 32 -2.781 -20.744 1.141 1.00 0.00 O ATOM 470 CB ASN A 32 -3.907 -22.243 -0.828 1.00 0.00 C ATOM 471 CG ASN A 32 -4.824 -23.258 -1.483 1.00 0.00 C ATOM 472 OD1 ASN A 32 -5.794 -23.716 -0.879 1.00 0.00 O ATOM 473 ND2 ASN A 32 -4.520 -23.614 -2.726 1.00 0.00 N ATOM 0 H ASN A 32 -4.404 -20.199 -2.244 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.575 -21.332 0.177 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.144 -21.932 -1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.389 -22.712 0.008 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.100 -24.293 -3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.706 -23.208 -3.188 1.00 0.00 H new ATOM 480 N LEU A 33 -4.222 -19.023 0.989 1.00 0.00 N ATOM 481 CA LEU A 33 -3.491 -18.184 1.932 1.00 0.00 C ATOM 482 C LEU A 33 -4.183 -18.161 3.291 1.00 0.00 C ATOM 483 O LEU A 33 -5.387 -17.918 3.382 1.00 0.00 O ATOM 484 CB LEU A 33 -3.364 -16.761 1.386 1.00 0.00 C ATOM 485 CG LEU A 33 -2.177 -16.501 0.458 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.426 -15.266 -0.394 1.00 0.00 C ATOM 487 CD2 LEU A 33 -0.895 -16.346 1.262 1.00 0.00 C ATOM 0 H LEU A 33 -5.065 -18.593 0.608 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.495 -18.607 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.280 -16.517 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.297 -16.074 2.230 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.065 -17.359 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.571 -15.097 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.321 -15.415 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.565 -14.400 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.061 -16.162 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.996 -15.507 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.708 -17.259 1.828 1.00 0.00 H new ATOM 499 N LYS A 34 -3.414 -18.412 4.345 1.00 0.00 N ATOM 500 CA LYS A 34 -3.952 -18.416 5.700 1.00 0.00 C ATOM 501 C LYS A 34 -3.519 -17.167 6.461 1.00 0.00 C ATOM 502 O LYS A 34 -3.685 -17.080 7.678 1.00 0.00 O ATOM 503 CB LYS A 34 -3.490 -19.668 6.450 1.00 0.00 C ATOM 504 CG LYS A 34 -4.400 -20.057 7.602 1.00 0.00 C ATOM 505 CD LYS A 34 -5.686 -20.696 7.105 1.00 0.00 C ATOM 506 CE LYS A 34 -6.775 -20.654 8.166 1.00 0.00 C ATOM 507 NZ LYS A 34 -6.401 -21.436 9.377 1.00 0.00 N ATOM 0 H LYS A 34 -2.416 -18.615 4.287 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.040 -18.420 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.430 -20.500 5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.483 -19.501 6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.878 -20.752 8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.637 -19.173 8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.029 -20.178 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.493 -21.730 6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.968 -19.619 8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.702 -21.049 7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.183 -21.410 10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.209 -22.422 9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.550 -21.022 9.808 1.00 0.00 H new ATOM 521 N VAL A 35 -2.965 -16.200 5.736 1.00 0.00 N ATOM 522 CA VAL A 35 -2.511 -14.954 6.343 1.00 0.00 C ATOM 523 C VAL A 35 -3.638 -14.276 7.113 1.00 0.00 C ATOM 524 O VAL A 35 -4.815 -14.389 6.769 1.00 0.00 O ATOM 525 CB VAL A 35 -1.969 -13.978 5.281 1.00 0.00 C ATOM 526 CG1 VAL A 35 -1.012 -14.692 4.339 1.00 0.00 C ATOM 527 CG2 VAL A 35 -3.115 -13.341 4.510 1.00 0.00 C ATOM 0 H VAL A 35 -2.820 -16.255 4.728 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.707 -15.211 7.033 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.418 -13.186 5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.639 -13.987 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.175 -15.096 4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.535 -15.506 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.714 -12.655 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.696 -14.118 4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.757 -12.793 5.200 1.00 0.00 H new ATOM 537 N PRO A 36 -3.272 -13.551 8.181 1.00 0.00 N ATOM 538 CA PRO A 36 -4.238 -12.839 9.023 1.00 0.00 C ATOM 539 C PRO A 36 -4.862 -11.647 8.306 1.00 0.00 C ATOM 540 O PRO A 36 -4.296 -11.120 7.349 1.00 0.00 O ATOM 541 CB PRO A 36 -3.394 -12.367 10.210 1.00 0.00 C ATOM 542 CG PRO A 36 -2.005 -12.281 9.676 1.00 0.00 C ATOM 543 CD PRO A 36 -1.887 -13.372 8.649 1.00 0.00 C ATOM 0 HA PRO A 36 -5.078 -13.473 9.306 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.737 -11.401 10.580 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.455 -13.067 11.043 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.818 -11.304 9.230 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.272 -12.414 10.472 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.221 -13.087 7.834 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.487 -14.289 9.081 1.00 0.00 H new ATOM 551 N GLU A 37 -6.033 -11.226 8.776 1.00 0.00 N ATOM 552 CA GLU A 37 -6.734 -10.096 8.178 1.00 0.00 C ATOM 553 C GLU A 37 -5.929 -8.809 8.341 1.00 0.00 C ATOM 554 O GLU A 37 -6.119 -7.848 7.596 1.00 0.00 O ATOM 555 CB GLU A 37 -8.115 -9.930 8.814 1.00 0.00 C ATOM 556 CG GLU A 37 -8.822 -8.647 8.409 1.00 0.00 C ATOM 557 CD GLU A 37 -10.237 -8.565 8.948 1.00 0.00 C ATOM 558 OE1 GLU A 37 -11.003 -9.532 8.755 1.00 0.00 O ATOM 559 OE2 GLU A 37 -10.578 -7.533 9.563 1.00 0.00 O ATOM 0 H GLU A 37 -6.515 -11.650 9.568 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.854 -10.297 7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.738 -10.781 8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.011 -9.951 9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.250 -7.792 8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.847 -8.578 7.321 1.00 0.00 H new ATOM 566 N GLU A 38 -5.030 -8.800 9.320 1.00 0.00 N ATOM 567 CA GLU A 38 -4.198 -7.631 9.581 1.00 0.00 C ATOM 568 C GLU A 38 -3.116 -7.485 8.516 1.00 0.00 C ATOM 569 O GLU A 38 -2.615 -6.388 8.269 1.00 0.00 O ATOM 570 CB GLU A 38 -3.555 -7.735 10.966 1.00 0.00 C ATOM 571 CG GLU A 38 -3.168 -6.390 11.559 1.00 0.00 C ATOM 572 CD GLU A 38 -2.599 -6.513 12.959 1.00 0.00 C ATOM 573 OE1 GLU A 38 -3.395 -6.637 13.914 1.00 0.00 O ATOM 574 OE2 GLU A 38 -1.359 -6.484 13.101 1.00 0.00 O ATOM 0 H GLU A 38 -4.859 -9.588 9.945 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.836 -6.748 9.549 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.248 -8.235 11.643 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.666 -8.362 10.899 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.433 -5.910 10.913 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.044 -5.742 11.582 1.00 0.00 H new ATOM 581 N LYS A 39 -2.758 -8.600 7.887 1.00 0.00 N ATOM 582 CA LYS A 39 -1.736 -8.598 6.847 1.00 0.00 C ATOM 583 C LYS A 39 -2.088 -7.610 5.740 1.00 0.00 C ATOM 584 O LYS A 39 -1.326 -6.687 5.453 1.00 0.00 O ATOM 585 CB LYS A 39 -1.574 -10.002 6.260 1.00 0.00 C ATOM 586 CG LYS A 39 -0.764 -10.035 4.976 1.00 0.00 C ATOM 587 CD LYS A 39 0.728 -9.968 5.256 1.00 0.00 C ATOM 588 CE LYS A 39 1.229 -8.531 5.263 1.00 0.00 C ATOM 589 NZ LYS A 39 2.695 -8.457 5.519 1.00 0.00 N ATOM 0 H LYS A 39 -3.161 -9.517 8.080 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.794 -8.289 7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.093 -10.642 6.999 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.561 -10.422 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.991 -10.948 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.054 -9.198 4.340 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.940 -10.433 6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.267 -10.539 4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.003 -8.063 4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.697 -7.965 6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.998 -7.462 5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.908 -8.881 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.204 -8.976 4.775 1.00 0.00 H new ATOM 603 N ALA A 40 -3.248 -7.810 5.122 1.00 0.00 N ATOM 604 CA ALA A 40 -3.702 -6.934 4.048 1.00 0.00 C ATOM 605 C ALA A 40 -3.758 -5.482 4.511 1.00 0.00 C ATOM 606 O ALA A 40 -3.201 -4.594 3.867 1.00 0.00 O ATOM 607 CB ALA A 40 -5.065 -7.382 3.543 1.00 0.00 C ATOM 0 H ALA A 40 -3.890 -8.570 5.346 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.984 -7.000 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.392 -6.719 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.996 -8.402 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.786 -7.346 4.360 1.00 0.00 H new ATOM 613 N ALA A 41 -4.435 -5.249 5.631 1.00 0.00 N ATOM 614 CA ALA A 41 -4.563 -3.904 6.180 1.00 0.00 C ATOM 615 C ALA A 41 -3.197 -3.246 6.343 1.00 0.00 C ATOM 616 O ALA A 41 -2.947 -2.169 5.801 1.00 0.00 O ATOM 617 CB ALA A 41 -5.293 -3.947 7.514 1.00 0.00 C ATOM 0 H ALA A 41 -4.903 -5.973 6.176 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.144 -3.305 5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.382 -2.937 7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.288 -4.369 7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.733 -4.566 8.215 1.00 0.00 H new ATOM 623 N LYS A 42 -2.316 -3.899 7.093 1.00 0.00 N ATOM 624 CA LYS A 42 -0.975 -3.378 7.327 1.00 0.00 C ATOM 625 C LYS A 42 -0.318 -2.956 6.016 1.00 0.00 C ATOM 626 O LYS A 42 0.252 -1.869 5.918 1.00 0.00 O ATOM 627 CB LYS A 42 -0.111 -4.430 8.026 1.00 0.00 C ATOM 628 CG LYS A 42 -0.443 -4.609 9.498 1.00 0.00 C ATOM 629 CD LYS A 42 0.252 -5.828 10.082 1.00 0.00 C ATOM 630 CE LYS A 42 1.746 -5.593 10.244 1.00 0.00 C ATOM 631 NZ LYS A 42 2.378 -6.624 11.113 1.00 0.00 N ATOM 0 H LYS A 42 -2.507 -4.791 7.550 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.061 -2.501 7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.233 -5.385 7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.938 -4.149 7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.143 -3.719 10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.521 -4.711 9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.187 -6.069 11.050 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.086 -6.688 9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.223 -5.602 9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.914 -4.605 10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.396 -6.429 11.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.940 -6.599 12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.240 -7.565 10.692 1.00 0.00 H new ATOM 645 N VAL A 43 -0.404 -3.821 5.011 1.00 0.00 N ATOM 646 CA VAL A 43 0.179 -3.537 3.706 1.00 0.00 C ATOM 647 C VAL A 43 -0.417 -2.270 3.102 1.00 0.00 C ATOM 648 O VAL A 43 0.288 -1.286 2.877 1.00 0.00 O ATOM 649 CB VAL A 43 -0.035 -4.708 2.728 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.274 -4.276 1.302 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.821 -5.899 3.130 1.00 0.00 C ATOM 0 H VAL A 43 -0.872 -4.725 5.076 1.00 0.00 H new ATOM 0 HA VAL A 43 1.248 -3.394 3.862 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.082 -5.010 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.117 -5.116 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.385 -3.455 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.311 -3.947 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.658 -6.717 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.873 -5.613 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.547 -6.222 4.134 1.00 0.00 H new ATOM 661 N ALA A 44 -1.720 -2.301 2.842 1.00 0.00 N ATOM 662 CA ALA A 44 -2.411 -1.154 2.266 1.00 0.00 C ATOM 663 C ALA A 44 -1.942 0.148 2.906 1.00 0.00 C ATOM 664 O ALA A 44 -1.596 1.104 2.211 1.00 0.00 O ATOM 665 CB ALA A 44 -3.916 -1.311 2.426 1.00 0.00 C ATOM 0 H ALA A 44 -2.318 -3.108 3.021 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.171 -1.112 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.420 -0.448 1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.244 -2.217 1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.164 -1.381 3.485 1.00 0.00 H new ATOM 671 N THR A 45 -1.933 0.179 4.235 1.00 0.00 N ATOM 672 CA THR A 45 -1.508 1.365 4.969 1.00 0.00 C ATOM 673 C THR A 45 -0.113 1.806 4.540 1.00 0.00 C ATOM 674 O THR A 45 0.175 3.000 4.463 1.00 0.00 O ATOM 675 CB THR A 45 -1.511 1.116 6.489 1.00 0.00 C ATOM 676 OG1 THR A 45 -2.857 1.076 6.976 1.00 0.00 O ATOM 677 CG2 THR A 45 -0.735 2.203 7.217 1.00 0.00 C ATOM 0 H THR A 45 -2.215 -0.604 4.825 1.00 0.00 H new ATOM 0 HA THR A 45 -2.223 2.154 4.737 1.00 0.00 H new ATOM 0 HB THR A 45 -1.028 0.158 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.850 0.916 7.943 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.751 2.006 8.289 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.297 2.211 6.865 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.194 3.172 7.019 1.00 0.00 H new ATOM 685 N LYS A 46 0.750 0.834 4.262 1.00 0.00 N ATOM 686 CA LYS A 46 2.115 1.122 3.839 1.00 0.00 C ATOM 687 C LYS A 46 2.147 1.598 2.391 1.00 0.00 C ATOM 688 O LYS A 46 3.150 2.143 1.929 1.00 0.00 O ATOM 689 CB LYS A 46 2.993 -0.122 3.998 1.00 0.00 C ATOM 690 CG LYS A 46 3.612 -0.258 5.378 1.00 0.00 C ATOM 691 CD LYS A 46 4.375 -1.564 5.521 1.00 0.00 C ATOM 692 CE LYS A 46 3.450 -2.711 5.899 1.00 0.00 C ATOM 693 NZ LYS A 46 4.180 -4.006 5.989 1.00 0.00 N ATOM 0 H LYS A 46 0.528 -0.160 4.322 1.00 0.00 H new ATOM 0 HA LYS A 46 2.505 1.918 4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.394 -1.008 3.789 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.789 -0.092 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.285 0.580 5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.830 -0.208 6.135 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.880 -1.796 4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.149 -1.453 6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.975 -2.494 6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.653 -2.794 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.515 -4.762 6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.612 -4.226 5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.924 -3.936 6.712 1.00 0.00 H new ATOM 707 N ILE A 47 1.045 1.390 1.679 1.00 0.00 N ATOM 708 CA ILE A 47 0.947 1.800 0.284 1.00 0.00 C ATOM 709 C ILE A 47 0.742 3.307 0.168 1.00 0.00 C ATOM 710 O ILE A 47 1.486 3.991 -0.533 1.00 0.00 O ATOM 711 CB ILE A 47 -0.209 1.080 -0.435 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.079 -0.435 -0.264 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.229 1.452 -1.910 1.00 0.00 C ATOM 714 CD1 ILE A 47 1.133 -1.020 -0.956 1.00 0.00 C ATOM 0 H ILE A 47 0.207 0.939 2.046 1.00 0.00 H new ATOM 0 HA ILE A 47 1.888 1.525 -0.193 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.151 1.398 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.029 -0.669 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.977 -0.915 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.052 0.935 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.364 2.529 -2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.714 1.159 -2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.161 -2.097 -0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.075 -0.817 -2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.038 -0.568 -0.550 1.00 0.00 H new ATOM 726 N GLU A 48 -0.271 3.816 0.862 1.00 0.00 N ATOM 727 CA GLU A 48 -0.572 5.243 0.837 1.00 0.00 C ATOM 728 C GLU A 48 0.543 6.046 1.500 1.00 0.00 C ATOM 729 O GLU A 48 1.027 7.033 0.945 1.00 0.00 O ATOM 730 CB GLU A 48 -1.903 5.518 1.541 1.00 0.00 C ATOM 731 CG GLU A 48 -3.106 4.942 0.815 1.00 0.00 C ATOM 732 CD GLU A 48 -2.883 3.513 0.359 1.00 0.00 C ATOM 733 OE1 GLU A 48 -2.337 3.321 -0.747 1.00 0.00 O ATOM 734 OE2 GLU A 48 -3.256 2.586 1.110 1.00 0.00 O ATOM 0 H GLU A 48 -0.896 3.263 1.448 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.649 5.554 -0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.864 5.103 2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.034 6.595 1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.974 4.978 1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.336 5.564 -0.050 1.00 0.00 H new ATOM 741 N LYS A 49 0.945 5.617 2.692 1.00 0.00 N ATOM 742 CA LYS A 49 2.003 6.294 3.432 1.00 0.00 C ATOM 743 C LYS A 49 3.196 6.590 2.529 1.00 0.00 C ATOM 744 O LYS A 49 3.893 7.586 2.714 1.00 0.00 O ATOM 745 CB LYS A 49 2.448 5.440 4.621 1.00 0.00 C ATOM 746 CG LYS A 49 3.582 4.484 4.292 1.00 0.00 C ATOM 747 CD LYS A 49 4.039 3.717 5.521 1.00 0.00 C ATOM 748 CE LYS A 49 4.784 4.618 6.494 1.00 0.00 C ATOM 749 NZ LYS A 49 5.304 3.859 7.666 1.00 0.00 N ATOM 0 H LYS A 49 0.554 4.803 3.166 1.00 0.00 H new ATOM 0 HA LYS A 49 1.606 7.240 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.761 6.097 5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.595 4.867 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.256 3.782 3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.421 5.043 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.175 3.277 6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.685 2.893 5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.613 5.103 5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.118 5.409 6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.805 4.508 8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.511 3.417 8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.959 3.121 7.339 1.00 0.00 H new ATOM 763 N GLU A 50 3.423 5.718 1.552 1.00 0.00 N ATOM 764 CA GLU A 50 4.532 5.887 0.620 1.00 0.00 C ATOM 765 C GLU A 50 4.086 6.651 -0.623 1.00 0.00 C ATOM 766 O GLU A 50 4.792 7.536 -1.108 1.00 0.00 O ATOM 767 CB GLU A 50 5.102 4.525 0.218 1.00 0.00 C ATOM 768 CG GLU A 50 6.427 4.613 -0.519 1.00 0.00 C ATOM 769 CD GLU A 50 7.495 5.330 0.285 1.00 0.00 C ATOM 770 OE1 GLU A 50 7.684 4.979 1.468 1.00 0.00 O ATOM 771 OE2 GLU A 50 8.142 6.243 -0.271 1.00 0.00 O ATOM 0 H GLU A 50 2.854 4.888 1.385 1.00 0.00 H new ATOM 0 HA GLU A 50 5.309 6.464 1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.234 3.917 1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.378 4.010 -0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.772 3.607 -0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.279 5.134 -1.465 1.00 0.00 H new ATOM 778 N LEU A 51 2.911 6.302 -1.135 1.00 0.00 N ATOM 779 CA LEU A 51 2.369 6.955 -2.322 1.00 0.00 C ATOM 780 C LEU A 51 2.270 8.463 -2.117 1.00 0.00 C ATOM 781 O LEU A 51 2.900 9.240 -2.835 1.00 0.00 O ATOM 782 CB LEU A 51 0.992 6.382 -2.659 1.00 0.00 C ATOM 783 CG LEU A 51 0.550 6.509 -4.118 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.117 5.369 -4.949 1.00 0.00 C ATOM 785 CD2 LEU A 51 -0.968 6.540 -4.215 1.00 0.00 C ATOM 0 H LEU A 51 2.315 5.571 -0.747 1.00 0.00 H new ATOM 0 HA LEU A 51 3.048 6.765 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.984 5.326 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.251 6.877 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 51 0.938 7.447 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.792 5.476 -5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.206 5.394 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.760 4.418 -4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.264 6.631 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.378 5.619 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.351 7.393 -3.654 1.00 0.00 H new ATOM 797 N PHE A 52 1.476 8.870 -1.133 1.00 0.00 N ATOM 798 CA PHE A 52 1.294 10.285 -0.832 1.00 0.00 C ATOM 799 C PHE A 52 2.641 10.994 -0.717 1.00 0.00 C ATOM 800 O PHE A 52 2.761 12.177 -1.033 1.00 0.00 O ATOM 801 CB PHE A 52 0.503 10.455 0.467 1.00 0.00 C ATOM 802 CG PHE A 52 0.198 11.888 0.799 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.362 12.729 -0.149 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.473 12.394 2.060 1.00 0.00 C ATOM 805 CE1 PHE A 52 -0.645 14.048 0.154 1.00 0.00 C ATOM 806 CE2 PHE A 52 0.192 13.711 2.369 1.00 0.00 C ATOM 807 CZ PHE A 52 -0.366 14.540 1.414 1.00 0.00 C ATOM 0 H PHE A 52 0.948 8.240 -0.530 1.00 0.00 H new ATOM 0 HA PHE A 52 0.734 10.736 -1.651 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.433 9.901 0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.068 10.012 1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.580 12.350 -1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.912 11.752 2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.084 14.693 -0.593 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.408 14.092 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.583 15.571 1.653 1.00 0.00 H new ATOM 817 N SER A 53 3.652 10.260 -0.262 1.00 0.00 N ATOM 818 CA SER A 53 4.989 10.819 -0.101 1.00 0.00 C ATOM 819 C SER A 53 5.673 10.991 -1.454 1.00 0.00 C ATOM 820 O SER A 53 5.975 12.109 -1.872 1.00 0.00 O ATOM 821 CB SER A 53 5.836 9.917 0.800 1.00 0.00 C ATOM 822 OG SER A 53 7.156 10.416 0.925 1.00 0.00 O ATOM 0 H SER A 53 3.570 9.278 0.001 1.00 0.00 H new ATOM 0 HA SER A 53 4.892 11.800 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.376 9.847 1.786 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.863 8.908 0.388 1.00 0.00 H new ATOM 0 HG SER A 53 7.676 9.823 1.507 1.00 0.00 H new ATOM 828 N PHE A 54 5.913 9.875 -2.134 1.00 0.00 N ATOM 829 CA PHE A 54 6.562 9.901 -3.440 1.00 0.00 C ATOM 830 C PHE A 54 5.985 11.012 -4.312 1.00 0.00 C ATOM 831 O PHE A 54 6.719 11.855 -4.829 1.00 0.00 O ATOM 832 CB PHE A 54 6.399 8.550 -4.141 1.00 0.00 C ATOM 833 CG PHE A 54 6.977 8.521 -5.527 1.00 0.00 C ATOM 834 CD1 PHE A 54 8.349 8.508 -5.719 1.00 0.00 C ATOM 835 CD2 PHE A 54 6.148 8.505 -6.637 1.00 0.00 C ATOM 836 CE1 PHE A 54 8.883 8.481 -6.994 1.00 0.00 C ATOM 837 CE2 PHE A 54 6.677 8.478 -7.914 1.00 0.00 C ATOM 838 CZ PHE A 54 8.046 8.465 -8.092 1.00 0.00 C ATOM 0 H PHE A 54 5.668 8.942 -1.803 1.00 0.00 H new ATOM 0 HA PHE A 54 7.623 10.098 -3.287 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.878 7.777 -3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.339 8.302 -4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.008 8.519 -4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.076 8.514 -6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.954 8.472 -7.131 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.020 8.467 -8.771 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.462 8.442 -9.089 1.00 0.00 H new ATOM 848 N PHE A 55 4.666 11.007 -4.471 1.00 0.00 N ATOM 849 CA PHE A 55 3.990 12.013 -5.282 1.00 0.00 C ATOM 850 C PHE A 55 3.923 13.348 -4.547 1.00 0.00 C ATOM 851 O PHE A 55 4.078 14.410 -5.151 1.00 0.00 O ATOM 852 CB PHE A 55 2.578 11.544 -5.641 1.00 0.00 C ATOM 853 CG PHE A 55 2.552 10.465 -6.686 1.00 0.00 C ATOM 854 CD1 PHE A 55 2.755 9.140 -6.337 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.325 10.776 -8.017 1.00 0.00 C ATOM 856 CE1 PHE A 55 2.733 8.145 -7.296 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.301 9.786 -8.981 1.00 0.00 C ATOM 858 CZ PHE A 55 2.504 8.469 -8.620 1.00 0.00 C ATOM 0 H PHE A 55 4.044 10.318 -4.049 1.00 0.00 H new ATOM 0 HA PHE A 55 4.564 12.151 -6.198 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.085 11.178 -4.740 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.000 12.397 -5.996 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.933 8.881 -5.304 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.165 11.805 -8.305 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.895 7.116 -7.011 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.124 10.042 -10.015 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.484 7.693 -9.371 1.00 0.00 H new ATOM 868 N ARG A 56 3.690 13.286 -3.240 1.00 0.00 N ATOM 869 CA ARG A 56 3.600 14.490 -2.422 1.00 0.00 C ATOM 870 C ARG A 56 2.319 15.261 -2.728 1.00 0.00 C ATOM 871 O ARG A 56 2.254 16.476 -2.538 1.00 0.00 O ATOM 872 CB ARG A 56 4.817 15.386 -2.660 1.00 0.00 C ATOM 873 CG ARG A 56 5.038 16.417 -1.566 1.00 0.00 C ATOM 874 CD ARG A 56 6.508 16.779 -1.430 1.00 0.00 C ATOM 875 NE ARG A 56 6.888 17.871 -2.322 1.00 0.00 N ATOM 876 CZ ARG A 56 8.146 18.242 -2.536 1.00 0.00 C ATOM 877 NH1 ARG A 56 9.139 17.611 -1.925 1.00 0.00 N ATOM 878 NH2 ARG A 56 8.411 19.245 -3.362 1.00 0.00 N ATOM 0 H ARG A 56 3.560 12.415 -2.725 1.00 0.00 H new ATOM 0 HA ARG A 56 3.580 14.187 -1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.706 14.761 -2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.698 15.900 -3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.460 17.314 -1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.669 16.027 -0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.717 17.064 -0.399 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.119 15.903 -1.649 1.00 0.00 H new ATOM 0 HE ARG A 56 6.147 18.377 -2.807 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.938 16.839 -1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.104 17.897 -2.091 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.649 19.732 -3.834 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.377 19.529 -3.526 1.00 0.00 H new ATOM 892 N ASP A 57 1.305 14.548 -3.203 1.00 0.00 N ATOM 893 CA ASP A 57 0.025 15.164 -3.535 1.00 0.00 C ATOM 894 C ASP A 57 -1.038 14.102 -3.796 1.00 0.00 C ATOM 895 O ASP A 57 -0.725 12.927 -3.988 1.00 0.00 O ATOM 896 CB ASP A 57 0.173 16.067 -4.761 1.00 0.00 C ATOM 897 CG ASP A 57 -0.796 17.232 -4.742 1.00 0.00 C ATOM 898 OD1 ASP A 57 -1.989 17.018 -5.045 1.00 0.00 O ATOM 899 OD2 ASP A 57 -0.362 18.359 -4.423 1.00 0.00 O ATOM 0 H ASP A 57 1.344 13.542 -3.367 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.292 15.767 -2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.193 16.448 -4.807 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.011 15.478 -5.664 1.00 0.00 H new ATOM 904 N THR A 58 -2.299 14.523 -3.799 1.00 0.00 N ATOM 905 CA THR A 58 -3.410 13.609 -4.034 1.00 0.00 C ATOM 906 C THR A 58 -4.247 14.055 -5.227 1.00 0.00 C ATOM 907 O THR A 58 -5.456 14.257 -5.109 1.00 0.00 O ATOM 908 CB THR A 58 -4.319 13.501 -2.795 1.00 0.00 C ATOM 909 OG1 THR A 58 -4.310 14.736 -2.071 1.00 0.00 O ATOM 910 CG2 THR A 58 -3.862 12.370 -1.885 1.00 0.00 C ATOM 0 H THR A 58 -2.576 15.492 -3.641 1.00 0.00 H new ATOM 0 HA THR A 58 -2.976 12.631 -4.244 1.00 0.00 H new ATOM 0 HB THR A 58 -5.333 13.287 -3.133 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.892 14.659 -1.286 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.519 12.313 -1.017 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.899 11.427 -2.430 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.840 12.559 -1.555 1.00 0.00 H new ATOM 918 N ASP A 59 -3.597 14.207 -6.376 1.00 0.00 N ATOM 919 CA ASP A 59 -4.283 14.627 -7.592 1.00 0.00 C ATOM 920 C ASP A 59 -4.282 13.510 -8.631 1.00 0.00 C ATOM 921 O ASP A 59 -3.849 12.392 -8.353 1.00 0.00 O ATOM 922 CB ASP A 59 -3.620 15.878 -8.170 1.00 0.00 C ATOM 923 CG ASP A 59 -2.155 15.660 -8.494 1.00 0.00 C ATOM 924 OD1 ASP A 59 -1.385 15.333 -7.567 1.00 0.00 O ATOM 925 OD2 ASP A 59 -1.779 15.816 -9.674 1.00 0.00 O ATOM 0 H ASP A 59 -2.596 14.046 -6.490 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.317 14.858 -7.335 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.148 16.180 -9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.713 16.697 -7.457 1.00 0.00 H new ATOM 930 N ALA A 60 -4.769 13.821 -9.827 1.00 0.00 N ATOM 931 CA ALA A 60 -4.823 12.843 -10.907 1.00 0.00 C ATOM 932 C ALA A 60 -3.613 11.916 -10.870 1.00 0.00 C ATOM 933 O ALA A 60 -3.754 10.693 -10.885 1.00 0.00 O ATOM 934 CB ALA A 60 -4.909 13.548 -12.253 1.00 0.00 C ATOM 0 H ALA A 60 -5.132 14.742 -10.073 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.717 12.235 -10.769 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.949 12.806 -13.050 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.808 14.163 -12.285 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.032 14.180 -12.389 1.00 0.00 H new ATOM 940 N LYS A 61 -2.424 12.505 -10.821 1.00 0.00 N ATOM 941 CA LYS A 61 -1.188 11.733 -10.781 1.00 0.00 C ATOM 942 C LYS A 61 -1.195 10.754 -9.611 1.00 0.00 C ATOM 943 O LYS A 61 -0.733 9.620 -9.734 1.00 0.00 O ATOM 944 CB LYS A 61 0.019 12.668 -10.670 1.00 0.00 C ATOM 945 CG LYS A 61 0.176 13.298 -9.297 1.00 0.00 C ATOM 946 CD LYS A 61 1.530 13.969 -9.143 1.00 0.00 C ATOM 947 CE LYS A 61 1.504 15.400 -9.658 1.00 0.00 C ATOM 948 NZ LYS A 61 1.671 15.460 -11.137 1.00 0.00 N ATOM 0 H LYS A 61 -2.290 13.516 -10.808 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.115 11.164 -11.708 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.924 12.110 -10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.075 13.458 -11.415 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.615 14.032 -9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.058 12.533 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.822 13.964 -8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.284 13.399 -9.686 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.560 15.869 -9.380 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.298 15.973 -9.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.173 16.334 -11.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.221 14.638 -11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.736 15.450 -11.593 1.00 0.00 H new ATOM 962 N TYR A 62 -1.724 11.200 -8.476 1.00 0.00 N ATOM 963 CA TYR A 62 -1.791 10.364 -7.284 1.00 0.00 C ATOM 964 C TYR A 62 -2.704 9.163 -7.511 1.00 0.00 C ATOM 965 O TYR A 62 -2.247 8.021 -7.562 1.00 0.00 O ATOM 966 CB TYR A 62 -2.291 11.180 -6.091 1.00 0.00 C ATOM 967 CG TYR A 62 -2.376 10.386 -4.807 1.00 0.00 C ATOM 968 CD1 TYR A 62 -1.228 10.036 -4.106 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.603 9.985 -4.295 1.00 0.00 C ATOM 970 CE1 TYR A 62 -1.300 9.310 -2.933 1.00 0.00 C ATOM 971 CE2 TYR A 62 -3.685 9.260 -3.122 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.531 8.925 -2.445 1.00 0.00 C ATOM 973 OH TYR A 62 -2.609 8.201 -1.277 1.00 0.00 O ATOM 0 H TYR A 62 -2.112 12.136 -8.357 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.786 9.999 -7.071 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.626 12.030 -5.939 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -3.276 11.583 -6.325 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.263 10.337 -4.485 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.509 10.244 -4.823 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.398 9.046 -2.401 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.648 8.957 -2.737 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.548 8.011 -1.072 1.00 0.00 H new ATOM 983 N LYS A 63 -3.999 9.430 -7.648 1.00 0.00 N ATOM 984 CA LYS A 63 -4.979 8.374 -7.872 1.00 0.00 C ATOM 985 C LYS A 63 -4.563 7.485 -9.040 1.00 0.00 C ATOM 986 O LYS A 63 -4.566 6.260 -8.930 1.00 0.00 O ATOM 987 CB LYS A 63 -6.358 8.979 -8.144 1.00 0.00 C ATOM 988 CG LYS A 63 -6.856 9.882 -7.029 1.00 0.00 C ATOM 989 CD LYS A 63 -7.810 10.942 -7.554 1.00 0.00 C ATOM 990 CE LYS A 63 -8.494 11.688 -6.419 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.462 10.823 -5.690 1.00 0.00 N ATOM 0 H LYS A 63 -4.394 10.370 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.029 7.762 -6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.319 9.549 -9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.076 8.173 -8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.359 9.282 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.007 10.363 -6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.263 11.649 -8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.562 10.474 -8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.742 12.058 -5.722 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.014 12.559 -6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.095 11.417 -5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.025 10.278 -6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.944 10.169 -5.069 1.00 0.00 H new ATOM 1005 N ASN A 64 -4.204 8.111 -10.156 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.785 7.375 -11.344 1.00 0.00 C ATOM 1007 C ASN A 64 -2.899 6.192 -10.966 1.00 0.00 C ATOM 1008 O ASN A 64 -3.139 5.062 -11.390 1.00 0.00 O ATOM 1009 CB ASN A 64 -3.036 8.301 -12.305 1.00 0.00 C ATOM 1010 CG ASN A 64 -3.963 8.975 -13.298 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -5.185 8.909 -13.167 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -3.383 9.627 -14.299 1.00 0.00 N ATOM 0 H ASN A 64 -4.195 9.125 -10.263 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.678 6.994 -11.839 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.506 9.062 -11.733 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.284 7.727 -12.846 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.955 10.100 -14.999 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.366 9.655 -14.368 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.873 6.460 -10.166 1.00 0.00 N ATOM 1020 CA LYS A 65 -0.951 5.419 -9.728 1.00 0.00 C ATOM 1021 C LYS A 65 -1.656 4.410 -8.828 1.00 0.00 C ATOM 1022 O LYS A 65 -1.465 3.202 -8.964 1.00 0.00 O ATOM 1023 CB LYS A 65 0.236 6.039 -8.986 1.00 0.00 C ATOM 1024 CG LYS A 65 1.106 5.019 -8.271 1.00 0.00 C ATOM 1025 CD LYS A 65 1.745 4.048 -9.250 1.00 0.00 C ATOM 1026 CE LYS A 65 3.012 4.626 -9.862 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.535 3.773 -10.964 1.00 0.00 N ATOM 0 H LYS A 65 -1.659 7.391 -9.807 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.586 4.897 -10.612 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.849 6.593 -9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.137 6.760 -8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.884 5.534 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.503 4.467 -7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.980 3.115 -8.738 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.035 3.807 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.807 5.626 -10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.774 4.729 -9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.399 4.201 -11.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.754 2.826 -10.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.818 3.695 -11.713 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.473 4.914 -7.909 1.00 0.00 N ATOM 1042 CA TYR A 66 -3.207 4.057 -6.986 1.00 0.00 C ATOM 1043 C TYR A 66 -4.103 3.081 -7.744 1.00 0.00 C ATOM 1044 O TYR A 66 -3.928 1.866 -7.657 1.00 0.00 O ATOM 1045 CB TYR A 66 -4.050 4.904 -6.031 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.291 4.199 -5.532 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -5.204 2.975 -4.881 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.551 4.757 -5.712 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.336 2.327 -4.423 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.687 4.118 -5.257 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.575 2.903 -4.614 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.705 2.262 -4.160 1.00 0.00 O ATOM 0 H TYR A 66 -2.643 5.912 -7.784 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.482 3.483 -6.409 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.437 5.192 -5.177 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.343 5.824 -6.537 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.235 2.522 -4.730 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.643 5.707 -6.217 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.251 1.376 -3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.658 4.567 -5.404 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.849 1.444 -4.680 1.00 0.00 H new ATOM 1062 N ARG A 67 -5.062 3.624 -8.487 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.986 2.803 -9.260 1.00 0.00 C ATOM 1064 C ARG A 67 -5.228 1.862 -10.192 1.00 0.00 C ATOM 1065 O ARG A 67 -5.768 0.853 -10.644 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.933 3.689 -10.071 1.00 0.00 C ATOM 1067 CG ARG A 67 -6.258 4.396 -11.234 1.00 0.00 C ATOM 1068 CD ARG A 67 -7.257 5.198 -12.054 1.00 0.00 C ATOM 1069 NE ARG A 67 -7.723 6.384 -11.342 1.00 0.00 N ATOM 1070 CZ ARG A 67 -8.726 6.372 -10.471 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -9.365 5.240 -10.207 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -9.093 7.493 -9.863 1.00 0.00 N ATOM 0 H ARG A 67 -5.219 4.628 -8.570 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.570 2.203 -8.563 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.751 3.078 -10.453 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.375 4.435 -9.410 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.480 5.059 -10.856 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.768 3.661 -11.873 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.796 5.498 -12.995 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.110 4.567 -12.304 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.253 7.271 -11.523 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.087 4.377 -10.673 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.135 5.233 -9.538 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.605 8.366 -10.064 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.863 7.482 -9.195 1.00 0.00 H new ATOM 1086 N SER A 68 -3.975 2.202 -10.476 1.00 0.00 N ATOM 1087 CA SER A 68 -3.144 1.391 -11.358 1.00 0.00 C ATOM 1088 C SER A 68 -2.545 0.207 -10.604 1.00 0.00 C ATOM 1089 O SER A 68 -2.809 -0.951 -10.931 1.00 0.00 O ATOM 1090 CB SER A 68 -2.027 2.241 -11.966 1.00 0.00 C ATOM 1091 OG SER A 68 -1.419 1.578 -13.061 1.00 0.00 O ATOM 0 H SER A 68 -3.513 3.034 -10.108 1.00 0.00 H new ATOM 0 HA SER A 68 -3.775 1.007 -12.159 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.432 3.198 -12.296 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.276 2.458 -11.206 1.00 0.00 H new ATOM 0 HG SER A 68 -0.710 2.143 -13.433 1.00 0.00 H new ATOM 1097 N LEU A 69 -1.737 0.506 -9.593 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.099 -0.532 -8.790 1.00 0.00 C ATOM 1099 C LEU A 69 -2.075 -1.665 -8.491 1.00 0.00 C ATOM 1100 O LEU A 69 -1.694 -2.835 -8.464 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.570 0.060 -7.483 1.00 0.00 C ATOM 1102 CG LEU A 69 0.530 1.113 -7.619 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.247 1.311 -6.293 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.516 0.716 -8.708 1.00 0.00 C ATOM 0 H LEU A 69 -1.508 1.459 -9.310 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.264 -0.938 -9.361 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.407 0.505 -6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.191 -0.755 -6.866 1.00 0.00 H new ATOM 0 HG LEU A 69 0.068 2.059 -7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.026 2.064 -6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.533 1.642 -5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.697 0.369 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.292 1.477 -8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.972 -0.241 -8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.991 0.628 -9.659 1.00 0.00 H new ATOM 1116 N MET A 70 -3.336 -1.310 -8.268 1.00 0.00 N ATOM 1117 CA MET A 70 -4.368 -2.298 -7.974 1.00 0.00 C ATOM 1118 C MET A 70 -4.983 -2.841 -9.260 1.00 0.00 C ATOM 1119 O MET A 70 -5.380 -4.005 -9.327 1.00 0.00 O ATOM 1120 CB MET A 70 -5.458 -1.683 -7.094 1.00 0.00 C ATOM 1121 CG MET A 70 -6.377 -0.731 -7.842 1.00 0.00 C ATOM 1122 SD MET A 70 -7.458 0.200 -6.739 1.00 0.00 S ATOM 1123 CE MET A 70 -8.205 -1.127 -5.797 1.00 0.00 C ATOM 0 H MET A 70 -3.668 -0.346 -8.285 1.00 0.00 H new ATOM 0 HA MET A 70 -3.902 -3.124 -7.438 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.055 -2.483 -6.657 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.988 -1.148 -6.268 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.775 -0.036 -8.427 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.985 -1.298 -8.547 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.002 -0.725 -5.171 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.619 -1.869 -6.479 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.450 -1.595 -5.166 1.00 0.00 H new ATOM 1133 N PHE A 71 -5.058 -1.992 -10.280 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.626 -2.386 -11.563 1.00 0.00 C ATOM 1135 C PHE A 71 -5.214 -3.810 -11.926 1.00 0.00 C ATOM 1136 O PHE A 71 -6.002 -4.574 -12.481 1.00 0.00 O ATOM 1137 CB PHE A 71 -5.180 -1.419 -12.662 1.00 0.00 C ATOM 1138 CG PHE A 71 -5.711 -1.771 -14.022 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -6.966 -1.343 -14.423 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -4.953 -2.529 -14.900 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -7.457 -1.665 -15.674 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -5.439 -2.854 -16.153 1.00 0.00 C ATOM 1143 CZ PHE A 71 -6.692 -2.422 -16.540 1.00 0.00 C ATOM 0 H PHE A 71 -4.732 -1.026 -10.242 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.712 -2.351 -11.477 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.506 -0.412 -12.403 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.091 -1.402 -12.699 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.568 -0.751 -13.750 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.972 -2.870 -14.602 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.437 -1.325 -15.974 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.839 -3.445 -16.829 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.073 -2.676 -17.518 1.00 0.00 H new ATOM 1153 N ASN A 72 -3.971 -4.159 -11.608 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.452 -5.490 -11.900 1.00 0.00 C ATOM 1155 C ASN A 72 -3.827 -6.475 -10.797 1.00 0.00 C ATOM 1156 O ASN A 72 -4.089 -7.649 -11.060 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.932 -5.443 -12.063 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.507 -4.716 -13.325 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -0.903 -5.306 -14.220 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.823 -3.429 -13.401 1.00 0.00 N ATOM 0 H ASN A 72 -3.305 -3.538 -11.148 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.900 -5.830 -12.833 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.492 -4.949 -11.197 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.540 -6.460 -12.083 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.564 -2.888 -14.226 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.325 -2.981 -12.634 1.00 0.00 H new ATOM 1167 N LEU A 73 -3.850 -5.989 -9.561 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.193 -6.825 -8.416 1.00 0.00 C ATOM 1169 C LEU A 73 -5.577 -7.443 -8.588 1.00 0.00 C ATOM 1170 O LEU A 73 -5.761 -8.645 -8.394 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.145 -6.004 -7.127 1.00 0.00 C ATOM 1172 CG LEU A 73 -2.760 -5.533 -6.681 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -2.880 -4.421 -5.651 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -1.955 -6.697 -6.122 1.00 0.00 C ATOM 0 H LEU A 73 -3.635 -5.020 -9.326 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.461 -7.630 -8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.781 -5.128 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.580 -6.600 -6.324 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.234 -5.139 -7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.884 -4.099 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.416 -3.578 -6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.425 -4.788 -4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.972 -6.343 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.477 -7.122 -5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.838 -7.461 -6.891 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.547 -6.614 -8.956 1.00 0.00 N ATOM 1187 CA LYS A 74 -7.915 -7.077 -9.159 1.00 0.00 C ATOM 1188 C LYS A 74 -8.008 -7.976 -10.388 1.00 0.00 C ATOM 1189 O LYS A 74 -8.997 -8.685 -10.577 1.00 0.00 O ATOM 1190 CB LYS A 74 -8.862 -5.885 -9.312 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.344 -4.814 -10.256 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.416 -3.786 -10.575 1.00 0.00 C ATOM 1193 CE LYS A 74 -9.545 -2.752 -9.468 1.00 0.00 C ATOM 1194 NZ LYS A 74 -10.536 -3.164 -8.436 1.00 0.00 N ATOM 0 H LYS A 74 -6.411 -5.616 -9.120 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.210 -7.656 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.826 -6.242 -9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.035 -5.441 -8.332 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.484 -4.317 -9.807 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.998 -5.278 -11.179 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.175 -3.287 -11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.373 -4.289 -10.718 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.573 -2.600 -8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.844 -1.796 -9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.262 -2.768 -7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.478 -2.810 -8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.561 -4.202 -8.374 1.00 0.00 H new ATOM 1208 N ASP A 75 -6.973 -7.942 -11.220 1.00 0.00 N ATOM 1209 CA ASP A 75 -6.937 -8.755 -12.430 1.00 0.00 C ATOM 1210 C ASP A 75 -6.967 -10.241 -12.087 1.00 0.00 C ATOM 1211 O ASP A 75 -6.318 -10.699 -11.146 1.00 0.00 O ATOM 1212 CB ASP A 75 -5.687 -8.433 -13.250 1.00 0.00 C ATOM 1213 CG ASP A 75 -5.856 -8.767 -14.719 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -5.770 -9.963 -15.070 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -6.076 -7.833 -15.518 1.00 0.00 O ATOM 0 H ASP A 75 -6.147 -7.360 -11.079 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.821 -8.519 -13.023 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.451 -7.374 -13.146 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.840 -8.989 -12.849 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.738 -11.013 -12.867 1.00 0.00 N ATOM 1221 CA PRO A 76 -7.871 -12.459 -12.665 1.00 0.00 C ATOM 1222 C PRO A 76 -6.592 -13.213 -13.014 1.00 0.00 C ATOM 1223 O PRO A 76 -6.376 -14.336 -12.556 1.00 0.00 O ATOM 1224 CB PRO A 76 -9.000 -12.849 -13.622 1.00 0.00 C ATOM 1225 CG PRO A 76 -8.972 -11.805 -14.685 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.538 -10.535 -14.006 1.00 0.00 C ATOM 0 HA PRO A 76 -8.072 -12.708 -11.623 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.840 -13.843 -14.039 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.963 -12.869 -13.111 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.280 -12.078 -15.482 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.954 -11.687 -15.142 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.951 -9.904 -14.673 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.392 -9.943 -13.677 1.00 0.00 H new ATOM 1234 N LYS A 77 -5.746 -12.590 -13.827 1.00 0.00 N ATOM 1235 CA LYS A 77 -4.487 -13.201 -14.236 1.00 0.00 C ATOM 1236 C LYS A 77 -3.422 -13.027 -13.158 1.00 0.00 C ATOM 1237 O LYS A 77 -2.696 -13.966 -12.833 1.00 0.00 O ATOM 1238 CB LYS A 77 -4.002 -12.586 -15.551 1.00 0.00 C ATOM 1239 CG LYS A 77 -5.018 -12.678 -16.677 1.00 0.00 C ATOM 1240 CD LYS A 77 -4.364 -12.488 -18.035 1.00 0.00 C ATOM 1241 CE LYS A 77 -5.392 -12.167 -19.109 1.00 0.00 C ATOM 1242 NZ LYS A 77 -4.845 -12.370 -20.479 1.00 0.00 N ATOM 0 H LYS A 77 -5.910 -11.661 -14.216 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.660 -14.267 -14.382 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.753 -11.538 -15.382 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.084 -13.086 -15.859 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.513 -13.649 -16.643 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.790 -11.921 -16.535 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.632 -11.682 -17.978 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.821 -13.393 -18.308 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.270 -12.798 -18.971 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.722 -11.134 -18.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.576 -12.141 -21.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.022 -11.749 -20.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.554 -13.362 -20.593 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.336 -11.821 -12.607 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.360 -11.525 -11.565 1.00 0.00 C ATOM 1258 C ASN A 78 -2.700 -12.266 -10.275 1.00 0.00 C ATOM 1259 O ASN A 78 -3.336 -11.713 -9.379 1.00 0.00 O ATOM 1260 CB ASN A 78 -2.304 -10.019 -11.302 1.00 0.00 C ATOM 1261 CG ASN A 78 -1.963 -9.226 -12.549 1.00 0.00 C ATOM 1262 OD1 ASN A 78 -2.609 -8.225 -12.857 1.00 0.00 O ATOM 1263 ND2 ASN A 78 -0.943 -9.673 -13.273 1.00 0.00 N ATOM 0 H ASN A 78 -3.930 -11.033 -12.865 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.383 -11.863 -11.911 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -3.266 -9.685 -10.914 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.561 -9.815 -10.531 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.667 -9.181 -14.123 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.436 -10.508 -12.979 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.270 -13.521 -10.189 1.00 0.00 N ATOM 1271 CA ASN A 79 -2.529 -14.338 -9.009 1.00 0.00 C ATOM 1272 C ASN A 79 -1.265 -14.496 -8.169 1.00 0.00 C ATOM 1273 O ASN A 79 -1.300 -15.069 -7.080 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.056 -15.714 -9.421 1.00 0.00 C ATOM 1275 CG ASN A 79 -2.379 -16.242 -10.671 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -1.261 -15.844 -11.000 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -3.056 -17.142 -11.375 1.00 0.00 N ATOM 0 H ASN A 79 -1.741 -13.994 -10.922 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.284 -13.833 -8.407 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.903 -16.418 -8.603 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.131 -15.652 -9.592 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.652 -17.533 -12.226 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.980 -17.443 -11.064 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.152 -13.984 -8.683 1.00 0.00 N ATOM 1285 CA ILE A 80 1.122 -14.067 -7.980 1.00 0.00 C ATOM 1286 C ILE A 80 1.459 -12.747 -7.294 1.00 0.00 C ATOM 1287 O ILE A 80 1.923 -12.728 -6.154 1.00 0.00 O ATOM 1288 CB ILE A 80 2.269 -14.443 -8.936 1.00 0.00 C ATOM 1289 CG1 ILE A 80 2.000 -15.805 -9.580 1.00 0.00 C ATOM 1290 CG2 ILE A 80 3.596 -14.457 -8.191 1.00 0.00 C ATOM 1291 CD1 ILE A 80 3.186 -16.362 -10.335 1.00 0.00 C ATOM 0 H ILE A 80 -0.107 -13.507 -9.584 1.00 0.00 H new ATOM 0 HA ILE A 80 1.016 -14.848 -7.227 1.00 0.00 H new ATOM 0 HB ILE A 80 2.325 -13.693 -9.725 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.708 -16.513 -8.804 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.155 -15.714 -10.263 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.397 -14.724 -8.880 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.790 -13.468 -7.775 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.552 -15.188 -7.384 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.923 -17.329 -10.764 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.465 -15.674 -11.133 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.027 -16.485 -9.652 1.00 0.00 H new ATOM 1303 N LEU A 81 1.220 -11.645 -7.996 1.00 0.00 N ATOM 1304 CA LEU A 81 1.496 -10.319 -7.455 1.00 0.00 C ATOM 1305 C LEU A 81 0.856 -10.148 -6.081 1.00 0.00 C ATOM 1306 O LEU A 81 1.549 -9.938 -5.084 1.00 0.00 O ATOM 1307 CB LEU A 81 0.979 -9.240 -8.408 1.00 0.00 C ATOM 1308 CG LEU A 81 1.704 -7.895 -8.357 1.00 0.00 C ATOM 1309 CD1 LEU A 81 3.193 -8.081 -8.606 1.00 0.00 C ATOM 1310 CD2 LEU A 81 1.109 -6.928 -9.371 1.00 0.00 C ATOM 0 H LEU A 81 0.836 -11.643 -8.941 1.00 0.00 H new ATOM 0 HA LEU A 81 2.576 -10.214 -7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.039 -9.624 -9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.076 -9.070 -8.194 1.00 0.00 H new ATOM 0 HG LEU A 81 1.573 -7.472 -7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.692 -7.113 -8.566 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.611 -8.737 -7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.345 -8.527 -9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.638 -5.976 -9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.208 -7.345 -10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.054 -6.769 -9.147 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.468 -10.240 -6.034 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.201 -10.097 -4.782 1.00 0.00 C ATOM 1324 C PHE A 82 -0.602 -10.986 -3.696 1.00 0.00 C ATOM 1325 O PHE A 82 -0.810 -10.757 -2.505 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.677 -10.447 -4.987 1.00 0.00 C ATOM 1327 CG PHE A 82 -2.985 -11.899 -4.759 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -3.203 -12.382 -3.478 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -3.057 -12.782 -5.825 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -3.488 -13.718 -3.265 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.341 -14.118 -5.617 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.556 -14.587 -4.336 1.00 0.00 C ATOM 0 H PHE A 82 -1.056 -10.413 -6.849 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.122 -9.058 -4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.283 -9.845 -4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.969 -10.177 -6.002 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.150 -11.707 -2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.889 -12.422 -6.829 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.657 -14.082 -2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.395 -14.796 -6.456 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.777 -15.631 -4.172 1.00 0.00 H new ATOM 1342 N LYS A 83 0.144 -12.002 -4.117 1.00 0.00 N ATOM 1343 CA LYS A 83 0.775 -12.926 -3.183 1.00 0.00 C ATOM 1344 C LYS A 83 2.170 -12.443 -2.798 1.00 0.00 C ATOM 1345 O LYS A 83 2.623 -12.655 -1.673 1.00 0.00 O ATOM 1346 CB LYS A 83 0.861 -14.325 -3.797 1.00 0.00 C ATOM 1347 CG LYS A 83 -0.352 -15.193 -3.506 1.00 0.00 C ATOM 1348 CD LYS A 83 -0.298 -16.503 -4.273 1.00 0.00 C ATOM 1349 CE LYS A 83 -1.160 -17.570 -3.616 1.00 0.00 C ATOM 1350 NZ LYS A 83 -0.402 -18.345 -2.595 1.00 0.00 N ATOM 0 H LYS A 83 0.326 -12.206 -5.100 1.00 0.00 H new ATOM 0 HA LYS A 83 0.162 -12.967 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.980 -14.232 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.753 -14.824 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.405 -15.398 -2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.260 -14.652 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.636 -16.341 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.734 -16.851 -4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.025 -17.100 -3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.541 -18.249 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.025 -19.062 -2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.409 -18.814 -3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.060 -17.701 -1.854 1.00 0.00 H new ATOM 1364 N LYS A 84 2.845 -11.791 -3.738 1.00 0.00 N ATOM 1365 CA LYS A 84 4.188 -11.274 -3.497 1.00 0.00 C ATOM 1366 C LYS A 84 4.151 -10.096 -2.529 1.00 0.00 C ATOM 1367 O LYS A 84 5.033 -9.947 -1.683 1.00 0.00 O ATOM 1368 CB LYS A 84 4.836 -10.845 -4.815 1.00 0.00 C ATOM 1369 CG LYS A 84 5.048 -11.991 -5.789 1.00 0.00 C ATOM 1370 CD LYS A 84 5.895 -11.564 -6.977 1.00 0.00 C ATOM 1371 CE LYS A 84 5.119 -10.651 -7.914 1.00 0.00 C ATOM 1372 NZ LYS A 84 4.188 -11.417 -8.790 1.00 0.00 N ATOM 0 H LYS A 84 2.485 -11.608 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 84 4.783 -12.071 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.211 -10.088 -5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.797 -10.377 -4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.532 -12.821 -5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.082 -12.354 -6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.788 -11.049 -6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.231 -12.446 -7.522 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.553 -9.926 -7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.817 -10.086 -8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.766 -10.776 -9.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.712 -12.170 -9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.435 -11.839 -8.211 1.00 0.00 H new ATOM 1386 N VAL A 85 3.125 -9.261 -2.658 1.00 0.00 N ATOM 1387 CA VAL A 85 2.972 -8.097 -1.793 1.00 0.00 C ATOM 1388 C VAL A 85 2.612 -8.513 -0.371 1.00 0.00 C ATOM 1389 O VAL A 85 3.115 -7.945 0.599 1.00 0.00 O ATOM 1390 CB VAL A 85 1.890 -7.140 -2.326 1.00 0.00 C ATOM 1391 CG1 VAL A 85 1.443 -6.178 -1.236 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.402 -6.381 -3.541 1.00 0.00 C ATOM 0 H VAL A 85 2.387 -9.369 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 85 3.931 -7.580 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 85 1.027 -7.731 -2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.678 -5.510 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.034 -6.742 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.297 -5.592 -0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.624 -5.709 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.282 -5.801 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.667 -7.088 -4.327 1.00 0.00 H new ATOM 1402 N LEU A 86 1.739 -9.507 -0.255 1.00 0.00 N ATOM 1403 CA LEU A 86 1.311 -10.000 1.050 1.00 0.00 C ATOM 1404 C LEU A 86 2.438 -10.760 1.742 1.00 0.00 C ATOM 1405 O LEU A 86 2.833 -10.425 2.859 1.00 0.00 O ATOM 1406 CB LEU A 86 0.088 -10.907 0.898 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.273 -10.214 0.965 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.396 -9.171 -0.134 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.397 -11.235 0.862 1.00 0.00 C ATOM 0 H LEU A 86 1.314 -9.987 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 86 1.045 -9.141 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.162 -11.427 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.125 -11.667 1.678 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.355 -9.709 1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.371 -8.688 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.612 -8.423 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.293 -9.653 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.358 -10.724 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.318 -11.769 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.321 -11.945 1.686 1.00 0.00 H new ATOM 1421 N LYS A 87 2.956 -11.782 1.069 1.00 0.00 N ATOM 1422 CA LYS A 87 4.041 -12.588 1.616 1.00 0.00 C ATOM 1423 C LYS A 87 5.238 -11.715 1.977 1.00 0.00 C ATOM 1424 O LYS A 87 5.778 -11.809 3.079 1.00 0.00 O ATOM 1425 CB LYS A 87 4.463 -13.661 0.611 1.00 0.00 C ATOM 1426 CG LYS A 87 5.109 -14.876 1.254 1.00 0.00 C ATOM 1427 CD LYS A 87 4.084 -15.740 1.969 1.00 0.00 C ATOM 1428 CE LYS A 87 4.687 -17.061 2.423 1.00 0.00 C ATOM 1429 NZ LYS A 87 3.759 -17.820 3.306 1.00 0.00 N ATOM 0 H LYS A 87 2.641 -12.072 0.143 1.00 0.00 H new ATOM 0 HA LYS A 87 3.680 -13.071 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.588 -13.982 0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.161 -13.224 -0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.615 -15.467 0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.871 -14.552 1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.692 -15.202 2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.242 -15.933 1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.935 -17.666 1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.620 -16.871 2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.207 -18.714 3.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.543 -17.253 4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.879 -18.024 2.791 1.00 0.00 H new ATOM 1443 N GLY A 88 5.648 -10.864 1.041 1.00 0.00 N ATOM 1444 CA GLY A 88 6.778 -9.985 1.281 1.00 0.00 C ATOM 1445 C GLY A 88 7.655 -9.820 0.055 1.00 0.00 C ATOM 1446 O GLY A 88 8.333 -8.805 -0.098 1.00 0.00 O ATOM 0 H GLY A 88 5.218 -10.768 0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.413 -9.008 1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.376 -10.383 2.101 1.00 0.00 H new ATOM 1450 N GLU A 89 7.641 -10.822 -0.819 1.00 0.00 N ATOM 1451 CA GLU A 89 8.444 -10.783 -2.036 1.00 0.00 C ATOM 1452 C GLU A 89 8.510 -9.366 -2.599 1.00 0.00 C ATOM 1453 O GLU A 89 9.542 -8.941 -3.119 1.00 0.00 O ATOM 1454 CB GLU A 89 7.864 -11.734 -3.086 1.00 0.00 C ATOM 1455 CG GLU A 89 8.236 -13.190 -2.859 1.00 0.00 C ATOM 1456 CD GLU A 89 7.643 -14.113 -3.906 1.00 0.00 C ATOM 1457 OE1 GLU A 89 8.239 -14.232 -4.997 1.00 0.00 O ATOM 1458 OE2 GLU A 89 6.584 -14.715 -3.635 1.00 0.00 O ATOM 0 H GLU A 89 7.084 -11.669 -0.707 1.00 0.00 H new ATOM 0 HA GLU A 89 9.455 -11.103 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.778 -11.641 -3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.212 -11.428 -4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.321 -13.289 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.893 -13.499 -1.871 1.00 0.00 H new ATOM 1465 N VAL A 90 7.402 -8.640 -2.492 1.00 0.00 N ATOM 1466 CA VAL A 90 7.333 -7.271 -2.989 1.00 0.00 C ATOM 1467 C VAL A 90 6.853 -6.316 -1.903 1.00 0.00 C ATOM 1468 O VAL A 90 5.789 -6.511 -1.314 1.00 0.00 O ATOM 1469 CB VAL A 90 6.395 -7.162 -4.205 1.00 0.00 C ATOM 1470 CG1 VAL A 90 6.137 -5.704 -4.552 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.979 -7.907 -5.396 1.00 0.00 C ATOM 0 H VAL A 90 6.539 -8.977 -2.065 1.00 0.00 H new ATOM 0 HA VAL A 90 8.342 -6.993 -3.293 1.00 0.00 H new ATOM 0 HB VAL A 90 5.441 -7.623 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.472 -5.647 -5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.673 -5.204 -3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.081 -5.214 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.303 -7.820 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.946 -7.477 -5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.106 -8.959 -5.140 1.00 0.00 H new ATOM 1481 N THR A 91 7.644 -5.280 -1.641 1.00 0.00 N ATOM 1482 CA THR A 91 7.300 -4.293 -0.625 1.00 0.00 C ATOM 1483 C THR A 91 6.216 -3.344 -1.125 1.00 0.00 C ATOM 1484 O THR A 91 6.103 -3.066 -2.319 1.00 0.00 O ATOM 1485 CB THR A 91 8.531 -3.470 -0.201 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.366 -3.218 -1.337 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.328 -4.201 0.869 1.00 0.00 C ATOM 0 H THR A 91 8.528 -5.103 -2.119 1.00 0.00 H new ATOM 0 HA THR A 91 6.927 -4.845 0.238 1.00 0.00 H new ATOM 0 HB THR A 91 8.184 -2.523 0.211 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.217 -2.835 -1.039 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.192 -3.601 1.153 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.698 -4.366 1.743 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.665 -5.161 0.479 1.00 0.00 H new ATOM 1495 N PRO A 92 5.400 -2.832 -0.192 1.00 0.00 N ATOM 1496 CA PRO A 92 4.311 -1.905 -0.514 1.00 0.00 C ATOM 1497 C PRO A 92 4.825 -0.539 -0.954 1.00 0.00 C ATOM 1498 O PRO A 92 4.184 0.150 -1.748 1.00 0.00 O ATOM 1499 CB PRO A 92 3.543 -1.788 0.804 1.00 0.00 C ATOM 1500 CG PRO A 92 4.547 -2.106 1.858 1.00 0.00 C ATOM 1501 CD PRO A 92 5.477 -3.120 1.251 1.00 0.00 C ATOM 0 HA PRO A 92 3.704 -2.262 -1.346 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.134 -0.786 0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.703 -2.482 0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.090 -1.211 2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.064 -2.504 2.750 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.493 -3.010 1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.162 -4.139 1.475 1.00 0.00 H new ATOM 1509 N ASP A 93 5.985 -0.153 -0.434 1.00 0.00 N ATOM 1510 CA ASP A 93 6.586 1.132 -0.775 1.00 0.00 C ATOM 1511 C ASP A 93 7.278 1.065 -2.133 1.00 0.00 C ATOM 1512 O ASP A 93 7.474 2.087 -2.792 1.00 0.00 O ATOM 1513 CB ASP A 93 7.588 1.552 0.302 1.00 0.00 C ATOM 1514 CG ASP A 93 8.350 0.373 0.875 1.00 0.00 C ATOM 1515 OD1 ASP A 93 9.389 -0.002 0.294 1.00 0.00 O ATOM 1516 OD2 ASP A 93 7.906 -0.174 1.906 1.00 0.00 O ATOM 0 H ASP A 93 6.528 -0.711 0.225 1.00 0.00 H new ATOM 0 HA ASP A 93 5.790 1.875 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.294 2.266 -0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.060 2.065 1.106 1.00 0.00 H new ATOM 1521 N HIS A 94 7.646 -0.144 -2.545 1.00 0.00 N ATOM 1522 CA HIS A 94 8.316 -0.344 -3.825 1.00 0.00 C ATOM 1523 C HIS A 94 7.302 -0.591 -4.937 1.00 0.00 C ATOM 1524 O HIS A 94 7.528 -0.223 -6.091 1.00 0.00 O ATOM 1525 CB HIS A 94 9.290 -1.519 -3.736 1.00 0.00 C ATOM 1526 CG HIS A 94 10.350 -1.500 -4.794 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.367 -0.569 -4.824 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.549 -2.306 -5.863 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.144 -0.802 -5.866 1.00 0.00 C ATOM 1530 NE2 HIS A 94 11.670 -1.851 -6.513 1.00 0.00 N ATOM 0 H HIS A 94 7.492 -0.999 -2.011 1.00 0.00 H new ATOM 0 HA HIS A 94 8.873 0.563 -4.061 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.767 -1.512 -2.756 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.730 -2.451 -3.811 1.00 0.00 H new ATOM 0 HD2 HIS A 94 9.940 -3.150 -6.151 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.019 -0.232 -6.142 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.071 -2.257 -7.358 1.00 0.00 H new ATOM 1539 N LEU A 95 6.184 -1.216 -4.583 1.00 0.00 N ATOM 1540 CA LEU A 95 5.134 -1.512 -5.552 1.00 0.00 C ATOM 1541 C LEU A 95 4.828 -0.292 -6.415 1.00 0.00 C ATOM 1542 O LEU A 95 4.280 -0.417 -7.510 1.00 0.00 O ATOM 1543 CB LEU A 95 3.865 -1.974 -4.833 1.00 0.00 C ATOM 1544 CG LEU A 95 2.615 -2.114 -5.701 1.00 0.00 C ATOM 1545 CD1 LEU A 95 2.799 -3.221 -6.728 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.392 -2.384 -4.836 1.00 0.00 C ATOM 0 H LEU A 95 5.981 -1.527 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 95 5.489 -2.313 -6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.067 -2.937 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.649 -1.268 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 95 2.459 -1.176 -6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.899 -3.306 -7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.649 -2.986 -7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.981 -4.166 -6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.511 -2.481 -5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.539 -3.308 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.249 -1.557 -4.140 1.00 0.00 H new ATOM 1558 N ILE A 96 5.188 0.885 -5.914 1.00 0.00 N ATOM 1559 CA ILE A 96 4.955 2.127 -6.641 1.00 0.00 C ATOM 1560 C ILE A 96 6.110 2.435 -7.587 1.00 0.00 C ATOM 1561 O ILE A 96 5.910 2.990 -8.668 1.00 0.00 O ATOM 1562 CB ILE A 96 4.762 3.314 -5.679 1.00 0.00 C ATOM 1563 CG1 ILE A 96 3.911 2.894 -4.479 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.120 4.486 -6.407 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.027 3.833 -3.299 1.00 0.00 C ATOM 0 H ILE A 96 5.642 1.005 -5.008 1.00 0.00 H new ATOM 0 HA ILE A 96 4.042 1.988 -7.220 1.00 0.00 H new ATOM 0 HB ILE A 96 5.739 3.629 -5.314 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.867 2.837 -4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.207 1.892 -4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.990 5.317 -5.714 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.761 4.798 -7.231 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.148 4.184 -6.797 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.397 3.474 -2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.064 3.872 -2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.703 4.831 -3.595 1.00 0.00 H new ATOM 1577 N ARG A 97 7.319 2.070 -7.174 1.00 0.00 N ATOM 1578 CA ARG A 97 8.508 2.307 -7.986 1.00 0.00 C ATOM 1579 C ARG A 97 8.575 1.325 -9.152 1.00 0.00 C ATOM 1580 O ARG A 97 9.232 1.586 -10.159 1.00 0.00 O ATOM 1581 CB ARG A 97 9.769 2.185 -7.129 1.00 0.00 C ATOM 1582 CG ARG A 97 10.034 3.402 -6.259 1.00 0.00 C ATOM 1583 CD ARG A 97 11.267 3.208 -5.390 1.00 0.00 C ATOM 1584 NE ARG A 97 11.824 4.480 -4.937 1.00 0.00 N ATOM 1585 CZ ARG A 97 11.224 5.274 -4.058 1.00 0.00 C ATOM 1586 NH1 ARG A 97 10.054 4.928 -3.538 1.00 0.00 N ATOM 1587 NH2 ARG A 97 11.794 6.416 -3.696 1.00 0.00 N ATOM 0 H ARG A 97 7.502 1.609 -6.283 1.00 0.00 H new ATOM 0 HA ARG A 97 8.447 3.318 -8.389 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.681 1.305 -6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.627 2.021 -7.781 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.167 4.280 -6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.168 3.594 -5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.008 2.597 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.024 2.661 -5.952 1.00 0.00 H new ATOM 0 HE ARG A 97 12.724 4.775 -5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.613 4.050 -3.813 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.595 5.540 -2.863 1.00 0.00 H new ATOM 0 HH21 ARG A 97 12.694 6.685 -4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.332 7.025 -3.021 1.00 0.00 H new ATOM 1601 N MET A 98 7.891 0.195 -9.007 1.00 0.00 N ATOM 1602 CA MET A 98 7.873 -0.826 -10.048 1.00 0.00 C ATOM 1603 C MET A 98 7.334 -0.257 -11.357 1.00 0.00 C ATOM 1604 O MET A 98 6.639 0.759 -11.364 1.00 0.00 O ATOM 1605 CB MET A 98 7.021 -2.019 -9.608 1.00 0.00 C ATOM 1606 CG MET A 98 7.350 -2.517 -8.211 1.00 0.00 C ATOM 1607 SD MET A 98 6.663 -4.151 -7.876 1.00 0.00 S ATOM 1608 CE MET A 98 7.581 -5.149 -9.047 1.00 0.00 C ATOM 0 H MET A 98 7.342 -0.037 -8.179 1.00 0.00 H new ATOM 0 HA MET A 98 8.897 -1.161 -10.212 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.969 -1.737 -9.646 1.00 0.00 H new ATOM 0 HB3 MET A 98 7.159 -2.835 -10.318 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.432 -2.550 -8.087 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.966 -1.808 -7.477 1.00 0.00 H new ATOM 0 HE1 MET A 98 7.668 -6.167 -8.668 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.058 -5.162 -10.003 1.00 0.00 H new ATOM 0 HE3 MET A 98 8.576 -4.726 -9.184 1.00 0.00 H new ATOM 1618 N SER A 99 7.659 -0.919 -12.463 1.00 0.00 N ATOM 1619 CA SER A 99 7.211 -0.477 -13.778 1.00 0.00 C ATOM 1620 C SER A 99 5.816 -1.011 -14.085 1.00 0.00 C ATOM 1621 O SER A 99 5.410 -2.071 -13.608 1.00 0.00 O ATOM 1622 CB SER A 99 8.194 -0.937 -14.857 1.00 0.00 C ATOM 1623 OG SER A 99 9.238 0.006 -15.031 1.00 0.00 O ATOM 0 H SER A 99 8.231 -1.763 -12.474 1.00 0.00 H new ATOM 0 HA SER A 99 7.171 0.612 -13.773 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.615 -1.904 -14.581 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.665 -1.077 -15.800 1.00 0.00 H new ATOM 0 HG SER A 99 9.854 -0.312 -15.724 1.00 0.00 H new ATOM 1629 N PRO A 100 5.062 -0.260 -14.902 1.00 0.00 N ATOM 1630 CA PRO A 100 3.700 -0.637 -15.292 1.00 0.00 C ATOM 1631 C PRO A 100 3.677 -1.846 -16.222 1.00 0.00 C ATOM 1632 O PRO A 100 2.637 -2.475 -16.411 1.00 0.00 O ATOM 1633 CB PRO A 100 3.182 0.606 -16.018 1.00 0.00 C ATOM 1634 CG PRO A 100 4.406 1.288 -16.523 1.00 0.00 C ATOM 1635 CD PRO A 100 5.481 1.015 -15.507 1.00 0.00 C ATOM 0 HA PRO A 100 3.096 -0.928 -14.433 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.513 0.337 -16.835 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.619 1.252 -15.344 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.689 0.905 -17.504 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.238 2.359 -16.635 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.463 0.935 -15.973 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.544 1.811 -14.765 1.00 0.00 H new ATOM 1643 N GLU A 101 4.832 -2.164 -16.799 1.00 0.00 N ATOM 1644 CA GLU A 101 4.942 -3.298 -17.710 1.00 0.00 C ATOM 1645 C GLU A 101 5.451 -4.536 -16.977 1.00 0.00 C ATOM 1646 O GLU A 101 5.418 -5.644 -17.513 1.00 0.00 O ATOM 1647 CB GLU A 101 5.879 -2.958 -18.871 1.00 0.00 C ATOM 1648 CG GLU A 101 5.734 -3.890 -20.062 1.00 0.00 C ATOM 1649 CD GLU A 101 6.995 -3.964 -20.902 1.00 0.00 C ATOM 1650 OE1 GLU A 101 8.041 -4.385 -20.366 1.00 0.00 O ATOM 1651 OE2 GLU A 101 6.934 -3.601 -22.095 1.00 0.00 O ATOM 0 H GLU A 101 5.703 -1.654 -16.652 1.00 0.00 H new ATOM 0 HA GLU A 101 3.949 -3.513 -18.105 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.686 -1.935 -19.195 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.909 -2.992 -18.517 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.479 -4.889 -19.708 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.906 -3.551 -20.685 1.00 0.00 H new ATOM 1658 N GLU A 102 5.922 -4.339 -15.750 1.00 0.00 N ATOM 1659 CA GLU A 102 6.440 -5.439 -14.945 1.00 0.00 C ATOM 1660 C GLU A 102 5.331 -6.067 -14.105 1.00 0.00 C ATOM 1661 O GLU A 102 5.375 -7.256 -13.787 1.00 0.00 O ATOM 1662 CB GLU A 102 7.568 -4.949 -14.036 1.00 0.00 C ATOM 1663 CG GLU A 102 8.922 -4.890 -14.724 1.00 0.00 C ATOM 1664 CD GLU A 102 10.077 -4.929 -13.742 1.00 0.00 C ATOM 1665 OE1 GLU A 102 9.823 -5.108 -12.533 1.00 0.00 O ATOM 1666 OE2 GLU A 102 11.236 -4.781 -14.185 1.00 0.00 O ATOM 0 H GLU A 102 5.956 -3.428 -15.292 1.00 0.00 H new ATOM 0 HA GLU A 102 6.833 -6.197 -15.622 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.317 -3.957 -13.662 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.638 -5.608 -13.171 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.010 -5.727 -15.417 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.985 -3.978 -15.317 1.00 0.00 H new ATOM 1673 N LEU A 103 4.338 -5.259 -13.748 1.00 0.00 N ATOM 1674 CA LEU A 103 3.217 -5.734 -12.944 1.00 0.00 C ATOM 1675 C LEU A 103 2.492 -6.879 -13.643 1.00 0.00 C ATOM 1676 O LEU A 103 1.767 -7.646 -13.010 1.00 0.00 O ATOM 1677 CB LEU A 103 2.241 -4.589 -12.668 1.00 0.00 C ATOM 1678 CG LEU A 103 2.846 -3.322 -12.063 1.00 0.00 C ATOM 1679 CD1 LEU A 103 2.012 -2.104 -12.430 1.00 0.00 C ATOM 1680 CD2 LEU A 103 2.962 -3.456 -10.551 1.00 0.00 C ATOM 0 H LEU A 103 4.286 -4.273 -14.002 1.00 0.00 H new ATOM 0 HA LEU A 103 3.611 -6.103 -11.997 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.751 -4.322 -13.604 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.465 -4.954 -11.995 1.00 0.00 H new ATOM 0 HG LEU A 103 3.847 -3.188 -12.474 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.458 -1.212 -11.991 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.981 -1.998 -13.514 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.999 -2.229 -12.048 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.395 -2.545 -10.137 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.972 -3.615 -10.123 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.602 -4.304 -10.309 1.00 0.00 H new