USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 637 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 58 ASN : amide:sc= -1.55 K(o=-1.6,f=-5.6!) USER MOD Set 1.2: A 60 TYR OH : rot 92:sc= -0.0398 USER MOD Set 2.1: A 8 TYR OH : rot -40:sc= 0.37 USER MOD Set 2.2: A 40 TYR OH : rot -105:sc= -0.117! USER MOD Set 3.1: A 18 SER OG : rot -15:sc= 0.478! USER MOD Set 3.2: A 32 HIS : no HE2:sc= -10.5! C(o=-10!,f=-7.2!) USER MOD Set 4.1: A 14 GLN : amide:sc= -0.862 X(o=-0.87,f=-0.96) USER MOD Set 4.2: A 37 TYR OH : rot -100:sc=-0.00745! USER MOD Single : A 6 TYR OH : rot -125:sc= 0.53 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -8.14! C(o=-8.1!,f=-19!) USER MOD Single : A 17 SER OG : rot 65:sc= 0.181 USER MOD Single : A 20 GLN : amide:sc= -1.61! C(o=-1.6!,f=-8.5!) USER MOD Single : A 23 GLN : amide:sc= -1.69 K(o=-1.7,f=0.12) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0487 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -140:sc= -0.27 USER MOD Single : A 34 THR OG1 : rot -10:sc= 0.203 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.116) USER MOD Single : A 48 GLN : amide:sc= -3.05! K(o=-3!,f=-1.6) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 50 SER OG : rot 74:sc= -0.0992 USER MOD Single : A 53 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.045) USER MOD Single : A 54 ASN : amide:sc= -4.04! K(o=-4!,f=-2.3) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 170:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 7.971 4.805 -12.188 1.00 0.00 N ATOM 80 CA TYR A 6 6.572 4.309 -12.088 1.00 0.00 C ATOM 81 C TYR A 6 5.721 5.261 -11.266 1.00 0.00 C ATOM 82 O TYR A 6 5.962 5.493 -10.098 1.00 0.00 O ATOM 83 CB TYR A 6 6.567 2.931 -11.450 1.00 0.00 C ATOM 84 CG TYR A 6 7.667 2.126 -12.075 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.514 1.615 -13.367 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.843 1.906 -11.365 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.550 0.875 -13.949 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.881 1.167 -11.941 1.00 0.00 C ATOM 89 CZ TYR A 6 9.735 0.649 -13.235 1.00 0.00 C ATOM 90 OH TYR A 6 10.755 -0.081 -13.809 1.00 0.00 O ATOM 0 HA TYR A 6 6.149 4.250 -13.091 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.717 3.009 -10.373 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.604 2.444 -11.603 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.600 1.790 -13.914 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.954 2.306 -10.368 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.436 0.479 -14.947 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.794 0.996 -11.390 1.00 0.00 H new ATOM 0 HH TYR A 6 10.991 -0.830 -13.223 1.00 0.00 H new ATOM 100 N SER A 7 4.713 5.797 -11.880 1.00 0.00 N ATOM 101 CA SER A 7 3.800 6.727 -11.172 1.00 0.00 C ATOM 102 C SER A 7 3.365 6.088 -9.855 1.00 0.00 C ATOM 103 O SER A 7 3.767 4.989 -9.530 1.00 0.00 O ATOM 104 CB SER A 7 2.575 6.948 -12.051 1.00 0.00 C ATOM 105 OG SER A 7 2.816 8.036 -12.934 1.00 0.00 O ATOM 0 H SER A 7 4.478 5.628 -12.858 1.00 0.00 H new ATOM 0 HA SER A 7 4.298 7.675 -10.970 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.355 6.045 -12.621 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.702 7.155 -11.432 1.00 0.00 H new ATOM 0 HG SER A 7 2.029 8.178 -13.501 1.00 0.00 H new ATOM 111 N TYR A 8 2.539 6.752 -9.099 1.00 0.00 N ATOM 112 CA TYR A 8 2.078 6.158 -7.814 1.00 0.00 C ATOM 113 C TYR A 8 0.741 5.463 -8.044 1.00 0.00 C ATOM 114 O TYR A 8 -0.075 5.323 -7.155 1.00 0.00 O ATOM 115 CB TYR A 8 1.944 7.252 -6.759 1.00 0.00 C ATOM 116 CG TYR A 8 3.277 7.421 -6.069 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.456 7.022 -6.716 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.336 7.969 -4.787 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.688 7.173 -6.081 1.00 0.00 C ATOM 120 CE2 TYR A 8 4.570 8.121 -4.149 1.00 0.00 C ATOM 121 CZ TYR A 8 5.748 7.724 -4.796 1.00 0.00 C ATOM 122 OH TYR A 8 6.967 7.874 -4.165 1.00 0.00 O ATOM 0 H TYR A 8 2.164 7.676 -9.313 1.00 0.00 H new ATOM 0 HA TYR A 8 2.804 5.427 -7.457 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.636 8.189 -7.223 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.174 6.987 -6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.409 6.597 -7.708 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.428 8.275 -4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.595 6.865 -6.580 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.616 8.545 -3.157 1.00 0.00 H new ATOM 0 HH TYR A 8 7.526 7.089 -4.343 1.00 0.00 H new ATOM 132 N ALA A 9 0.538 5.015 -9.245 1.00 0.00 N ATOM 133 CA ALA A 9 -0.718 4.298 -9.597 1.00 0.00 C ATOM 134 C ALA A 9 -0.347 3.081 -10.441 1.00 0.00 C ATOM 135 O ALA A 9 -0.740 1.966 -10.155 1.00 0.00 O ATOM 136 CB ALA A 9 -1.633 5.223 -10.398 1.00 0.00 C ATOM 0 H ALA A 9 1.200 5.116 -10.014 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.242 3.986 -8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.551 4.694 -10.654 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.875 6.102 -9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.127 5.533 -11.312 1.00 0.00 H new ATOM 142 N GLN A 10 0.447 3.281 -11.459 1.00 0.00 N ATOM 143 CA GLN A 10 0.889 2.134 -12.293 1.00 0.00 C ATOM 144 C GLN A 10 1.896 1.361 -11.452 1.00 0.00 C ATOM 145 O GLN A 10 1.985 0.150 -11.502 1.00 0.00 O ATOM 146 CB GLN A 10 1.534 2.644 -13.590 1.00 0.00 C ATOM 147 CG GLN A 10 2.970 3.107 -13.326 1.00 0.00 C ATOM 148 CD GLN A 10 3.925 1.925 -13.508 1.00 0.00 C ATOM 149 OE1 GLN A 10 4.210 1.209 -12.571 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.434 1.691 -14.688 1.00 0.00 N ATOM 0 H GLN A 10 0.807 4.191 -11.746 1.00 0.00 H new ATOM 0 HA GLN A 10 0.052 1.497 -12.580 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.532 1.853 -14.340 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.948 3.469 -13.995 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.236 3.913 -14.010 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.056 3.506 -12.315 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.194 2.293 -15.475 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.071 0.906 -14.822 1.00 0.00 H new ATOM 159 N LEU A 11 2.621 2.076 -10.636 1.00 0.00 N ATOM 160 CA LEU A 11 3.593 1.429 -9.726 1.00 0.00 C ATOM 161 C LEU A 11 2.795 0.464 -8.853 1.00 0.00 C ATOM 162 O LEU A 11 3.272 -0.567 -8.425 1.00 0.00 O ATOM 163 CB LEU A 11 4.232 2.516 -8.857 1.00 0.00 C ATOM 164 CG LEU A 11 4.936 1.900 -7.649 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.398 1.641 -7.995 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.861 2.881 -6.481 1.00 0.00 C ATOM 0 H LEU A 11 2.577 3.093 -10.564 1.00 0.00 H new ATOM 0 HA LEU A 11 4.378 0.899 -10.266 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.948 3.087 -9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.467 3.215 -8.520 1.00 0.00 H new ATOM 0 HG LEU A 11 4.454 0.961 -7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.903 1.201 -7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.456 0.955 -8.840 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.882 2.582 -8.258 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.361 2.452 -5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.352 3.814 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.817 3.078 -6.238 1.00 0.00 H new ATOM 178 N ILE A 12 1.564 0.816 -8.607 1.00 0.00 N ATOM 179 CA ILE A 12 0.668 -0.037 -7.778 1.00 0.00 C ATOM 180 C ILE A 12 0.080 -1.148 -8.640 1.00 0.00 C ATOM 181 O ILE A 12 0.017 -2.294 -8.241 1.00 0.00 O ATOM 182 CB ILE A 12 -0.478 0.815 -7.241 1.00 0.00 C ATOM 183 CG1 ILE A 12 0.039 2.149 -6.667 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.207 0.037 -6.158 1.00 0.00 C ATOM 185 CD1 ILE A 12 1.341 1.947 -5.878 1.00 0.00 C ATOM 0 H ILE A 12 1.134 1.674 -8.952 1.00 0.00 H new ATOM 0 HA ILE A 12 1.240 -0.467 -6.955 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.158 1.045 -8.062 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.209 2.856 -7.479 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.719 2.586 -6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.028 0.638 -5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.602 -0.888 -6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.514 -0.198 -5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.681 2.905 -5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.163 1.259 -5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.105 1.533 -6.536 1.00 0.00 H new ATOM 197 N VAL A 13 -0.363 -0.814 -9.816 1.00 0.00 N ATOM 198 CA VAL A 13 -0.960 -1.842 -10.701 1.00 0.00 C ATOM 199 C VAL A 13 -0.021 -3.038 -10.788 1.00 0.00 C ATOM 200 O VAL A 13 -0.425 -4.165 -10.612 1.00 0.00 O ATOM 201 CB VAL A 13 -1.154 -1.243 -12.087 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.596 -2.340 -13.055 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.218 -0.149 -12.002 1.00 0.00 C ATOM 0 H VAL A 13 -0.337 0.130 -10.202 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.921 -2.167 -10.302 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.220 -0.813 -12.449 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.736 -1.914 -14.048 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.833 -3.117 -13.097 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.535 -2.773 -12.710 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.368 0.290 -12.988 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.155 -0.580 -11.650 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.890 0.624 -11.307 1.00 0.00 H new ATOM 213 N GLN A 14 1.233 -2.806 -11.034 1.00 0.00 N ATOM 214 CA GLN A 14 2.182 -3.947 -11.099 1.00 0.00 C ATOM 215 C GLN A 14 2.254 -4.592 -9.717 1.00 0.00 C ATOM 216 O GLN A 14 2.470 -5.780 -9.581 1.00 0.00 O ATOM 217 CB GLN A 14 3.563 -3.439 -11.502 1.00 0.00 C ATOM 218 CG GLN A 14 4.142 -4.339 -12.594 1.00 0.00 C ATOM 219 CD GLN A 14 5.553 -3.866 -12.934 1.00 0.00 C ATOM 220 OE1 GLN A 14 6.352 -4.618 -13.455 1.00 0.00 O ATOM 221 NE2 GLN A 14 5.896 -2.637 -12.660 1.00 0.00 N ATOM 0 H GLN A 14 1.641 -1.884 -11.192 1.00 0.00 H new ATOM 0 HA GLN A 14 1.845 -4.677 -11.835 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.493 -2.412 -11.862 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.225 -3.429 -10.636 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.164 -5.375 -12.255 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.510 -4.307 -13.482 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.225 -2.006 -12.223 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.835 -2.308 -12.883 1.00 0.00 H new ATOM 230 N ALA A 15 2.065 -3.811 -8.687 1.00 0.00 N ATOM 231 CA ALA A 15 2.111 -4.364 -7.309 1.00 0.00 C ATOM 232 C ALA A 15 0.925 -5.305 -7.097 1.00 0.00 C ATOM 233 O ALA A 15 1.077 -6.421 -6.639 1.00 0.00 O ATOM 234 CB ALA A 15 2.021 -3.216 -6.300 1.00 0.00 C ATOM 0 H ALA A 15 1.880 -2.810 -8.745 1.00 0.00 H new ATOM 0 HA ALA A 15 3.044 -4.910 -7.169 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.054 -3.618 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.859 -2.535 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.085 -2.676 -6.445 1.00 0.00 H new ATOM 240 N ILE A 16 -0.258 -4.858 -7.417 1.00 0.00 N ATOM 241 CA ILE A 16 -1.461 -5.727 -7.221 1.00 0.00 C ATOM 242 C ILE A 16 -1.680 -6.618 -8.449 1.00 0.00 C ATOM 243 O ILE A 16 -2.144 -7.735 -8.339 1.00 0.00 O ATOM 244 CB ILE A 16 -2.722 -4.878 -6.966 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.483 -3.405 -7.323 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.086 -4.966 -5.485 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.672 -2.568 -6.859 1.00 0.00 C ATOM 0 H ILE A 16 -0.447 -3.933 -7.804 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.282 -6.354 -6.347 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.527 -5.263 -7.592 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.568 -3.049 -6.850 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.348 -3.298 -8.399 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.977 -4.369 -5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.281 -6.005 -5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.259 -4.587 -4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.502 -1.522 -7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.578 -2.918 -7.353 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.786 -2.665 -5.779 1.00 0.00 H new ATOM 259 N SER A 17 -1.361 -6.134 -9.617 1.00 0.00 N ATOM 260 CA SER A 17 -1.564 -6.954 -10.847 1.00 0.00 C ATOM 261 C SER A 17 -0.661 -8.192 -10.808 1.00 0.00 C ATOM 262 O SER A 17 -0.879 -9.148 -11.526 1.00 0.00 O ATOM 263 CB SER A 17 -1.221 -6.117 -12.080 1.00 0.00 C ATOM 264 OG SER A 17 -2.131 -5.029 -12.178 1.00 0.00 O ATOM 0 H SER A 17 -0.968 -5.206 -9.774 1.00 0.00 H new ATOM 0 HA SER A 17 -2.606 -7.271 -10.895 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.199 -5.746 -12.009 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.274 -6.733 -12.978 1.00 0.00 H new ATOM 0 HG SER A 17 -2.006 -4.428 -11.414 1.00 0.00 H new ATOM 270 N SER A 18 0.351 -8.185 -9.986 1.00 0.00 N ATOM 271 CA SER A 18 1.259 -9.365 -9.920 1.00 0.00 C ATOM 272 C SER A 18 0.952 -10.189 -8.668 1.00 0.00 C ATOM 273 O SER A 18 1.436 -11.291 -8.505 1.00 0.00 O ATOM 274 CB SER A 18 2.711 -8.887 -9.874 1.00 0.00 C ATOM 275 OG SER A 18 3.559 -9.986 -9.568 1.00 0.00 O ATOM 0 H SER A 18 0.589 -7.416 -9.359 1.00 0.00 H new ATOM 0 HA SER A 18 1.106 -9.986 -10.803 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.993 -8.452 -10.833 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.825 -8.105 -9.123 1.00 0.00 H new ATOM 0 HG SER A 18 3.021 -10.728 -9.220 1.00 0.00 H new ATOM 281 N ALA A 19 0.151 -9.666 -7.781 1.00 0.00 N ATOM 282 CA ALA A 19 -0.183 -10.423 -6.541 1.00 0.00 C ATOM 283 C ALA A 19 -0.885 -11.732 -6.913 1.00 0.00 C ATOM 284 O ALA A 19 -1.071 -12.041 -8.073 1.00 0.00 O ATOM 285 CB ALA A 19 -1.110 -9.578 -5.664 1.00 0.00 C ATOM 0 H ALA A 19 -0.286 -8.748 -7.861 1.00 0.00 H new ATOM 0 HA ALA A 19 0.733 -10.647 -5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.355 -10.130 -4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.610 -8.647 -5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.026 -9.355 -6.212 1.00 0.00 H new ATOM 291 N GLN A 20 -1.278 -12.505 -5.935 1.00 0.00 N ATOM 292 CA GLN A 20 -1.967 -13.794 -6.232 1.00 0.00 C ATOM 293 C GLN A 20 -3.041 -13.556 -7.304 1.00 0.00 C ATOM 294 O GLN A 20 -2.820 -13.800 -8.474 1.00 0.00 O ATOM 295 CB GLN A 20 -2.586 -14.343 -4.934 1.00 0.00 C ATOM 296 CG GLN A 20 -3.664 -15.391 -5.241 1.00 0.00 C ATOM 297 CD GLN A 20 -4.927 -15.075 -4.436 1.00 0.00 C ATOM 298 OE1 GLN A 20 -5.493 -14.007 -4.567 1.00 0.00 O ATOM 299 NE2 GLN A 20 -5.395 -15.964 -3.602 1.00 0.00 N ATOM 0 H GLN A 20 -1.151 -12.299 -4.944 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.258 -14.529 -6.614 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.807 -14.788 -4.315 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.021 -13.525 -4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.891 -15.394 -6.307 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.300 -16.387 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.920 -16.860 -3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.235 -15.762 -3.060 1.00 0.00 H new ATOM 308 N ASP A 21 -4.198 -13.079 -6.927 1.00 0.00 N ATOM 309 CA ASP A 21 -5.262 -12.831 -7.942 1.00 0.00 C ATOM 310 C ASP A 21 -5.103 -11.414 -8.500 1.00 0.00 C ATOM 311 O ASP A 21 -4.732 -11.224 -9.640 1.00 0.00 O ATOM 312 CB ASP A 21 -6.639 -12.973 -7.286 1.00 0.00 C ATOM 313 CG ASP A 21 -7.507 -13.914 -8.126 1.00 0.00 C ATOM 314 OD1 ASP A 21 -7.616 -13.681 -9.318 1.00 0.00 O ATOM 315 OD2 ASP A 21 -8.049 -14.850 -7.561 1.00 0.00 O ATOM 0 H ASP A 21 -4.451 -12.852 -5.965 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.173 -13.556 -8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.533 -13.364 -6.274 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.117 -11.997 -7.203 1.00 0.00 H new ATOM 320 N ARG A 22 -5.379 -10.422 -7.700 1.00 0.00 N ATOM 321 CA ARG A 22 -5.241 -9.015 -8.175 1.00 0.00 C ATOM 322 C ARG A 22 -5.640 -8.064 -7.046 1.00 0.00 C ATOM 323 O ARG A 22 -6.244 -7.033 -7.272 1.00 0.00 O ATOM 324 CB ARG A 22 -6.150 -8.789 -9.385 1.00 0.00 C ATOM 325 CG ARG A 22 -7.591 -9.142 -9.015 1.00 0.00 C ATOM 326 CD ARG A 22 -7.999 -10.430 -9.732 1.00 0.00 C ATOM 327 NE ARG A 22 -9.429 -10.342 -10.135 1.00 0.00 N ATOM 328 CZ ARG A 22 -9.995 -11.342 -10.754 1.00 0.00 C ATOM 329 NH1 ARG A 22 -10.076 -12.508 -10.173 1.00 0.00 N ATOM 330 NH2 ARG A 22 -10.481 -11.176 -11.955 1.00 0.00 N ATOM 0 H ARG A 22 -5.695 -10.524 -6.736 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.208 -8.825 -8.465 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.091 -7.750 -9.708 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.818 -9.403 -10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.680 -9.269 -7.936 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.260 -8.329 -9.296 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.372 -10.585 -10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.847 -11.288 -9.077 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.967 -9.500 -9.927 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.697 -12.638 -9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.518 -13.289 -10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.418 -10.265 -12.409 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.923 -11.958 -12.439 1.00 0.00 H new ATOM 344 N GLN A 23 -5.311 -8.404 -5.829 1.00 0.00 N ATOM 345 CA GLN A 23 -5.675 -7.523 -4.684 1.00 0.00 C ATOM 346 C GLN A 23 -4.532 -7.508 -3.666 1.00 0.00 C ATOM 347 O GLN A 23 -3.808 -8.473 -3.519 1.00 0.00 O ATOM 348 CB GLN A 23 -6.943 -8.059 -4.017 1.00 0.00 C ATOM 349 CG GLN A 23 -6.676 -9.458 -3.458 1.00 0.00 C ATOM 350 CD GLN A 23 -7.827 -9.866 -2.537 1.00 0.00 C ATOM 351 OE1 GLN A 23 -8.082 -9.219 -1.541 1.00 0.00 O ATOM 352 NE2 GLN A 23 -8.538 -10.920 -2.830 1.00 0.00 N ATOM 0 H GLN A 23 -4.806 -9.254 -5.579 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.851 -6.510 -5.046 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.255 -7.390 -3.216 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.759 -8.094 -4.739 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.577 -10.174 -4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.735 -9.468 -2.908 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.324 -11.463 -3.666 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.308 -11.201 -2.223 1.00 0.00 H new ATOM 361 N LEU A 24 -4.362 -6.419 -2.965 1.00 0.00 N ATOM 362 CA LEU A 24 -3.269 -6.344 -1.964 1.00 0.00 C ATOM 363 C LEU A 24 -3.783 -5.669 -0.695 1.00 0.00 C ATOM 364 O LEU A 24 -4.741 -4.921 -0.722 1.00 0.00 O ATOM 365 CB LEU A 24 -2.125 -5.502 -2.524 1.00 0.00 C ATOM 366 CG LEU A 24 -1.288 -6.340 -3.490 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.135 -5.490 -4.022 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.728 -7.561 -2.757 1.00 0.00 C ATOM 0 H LEU A 24 -4.936 -5.579 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.922 -7.353 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.523 -4.627 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.499 -5.136 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.911 -6.674 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.466 -6.083 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.535 -4.620 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.487 -5.160 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.131 -8.158 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.102 -7.232 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.551 -8.164 -2.374 1.00 0.00 H new ATOM 380 N THR A 25 -3.132 -5.896 0.410 1.00 0.00 N ATOM 381 CA THR A 25 -3.564 -5.235 1.669 1.00 0.00 C ATOM 382 C THR A 25 -3.021 -3.808 1.643 1.00 0.00 C ATOM 383 O THR A 25 -2.190 -3.476 0.821 1.00 0.00 O ATOM 384 CB THR A 25 -2.987 -5.982 2.873 1.00 0.00 C ATOM 385 OG1 THR A 25 -1.669 -6.420 2.570 1.00 0.00 O ATOM 386 CG2 THR A 25 -3.864 -7.192 3.199 1.00 0.00 C ATOM 0 H THR A 25 -2.321 -6.509 0.495 1.00 0.00 H new ATOM 0 HA THR A 25 -4.651 -5.237 1.751 1.00 0.00 H new ATOM 0 HB THR A 25 -2.961 -5.314 3.734 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.297 -6.897 3.341 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.449 -7.721 4.057 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.874 -6.857 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.894 -7.862 2.340 1.00 0.00 H new ATOM 394 N LEU A 26 -3.467 -2.957 2.517 1.00 0.00 N ATOM 395 CA LEU A 26 -2.938 -1.567 2.492 1.00 0.00 C ATOM 396 C LEU A 26 -1.411 -1.633 2.475 1.00 0.00 C ATOM 397 O LEU A 26 -0.758 -0.939 1.724 1.00 0.00 O ATOM 398 CB LEU A 26 -3.410 -0.800 3.730 1.00 0.00 C ATOM 399 CG LEU A 26 -3.411 0.698 3.422 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.375 1.414 4.369 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.998 1.255 3.612 1.00 0.00 C ATOM 0 H LEU A 26 -4.162 -3.156 3.236 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.303 -1.048 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.410 -1.126 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.754 -1.010 4.575 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.731 0.859 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.375 2.482 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.381 1.015 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.057 1.256 5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.995 2.323 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.679 1.095 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.312 0.744 2.936 1.00 0.00 H new ATOM 413 N SER A 27 -0.842 -2.478 3.291 1.00 0.00 N ATOM 414 CA SER A 27 0.642 -2.609 3.316 1.00 0.00 C ATOM 415 C SER A 27 1.059 -3.829 2.492 1.00 0.00 C ATOM 416 O SER A 27 2.005 -4.517 2.819 1.00 0.00 O ATOM 417 CB SER A 27 1.109 -2.790 4.757 1.00 0.00 C ATOM 418 OG SER A 27 1.875 -1.659 5.149 1.00 0.00 O ATOM 0 H SER A 27 -1.342 -3.084 3.942 1.00 0.00 H new ATOM 0 HA SER A 27 1.094 -1.712 2.894 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.250 -2.908 5.417 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.707 -3.697 4.846 1.00 0.00 H new ATOM 0 HG SER A 27 2.175 -1.772 6.075 1.00 0.00 H new ATOM 424 N GLY A 28 0.358 -4.104 1.429 1.00 0.00 N ATOM 425 CA GLY A 28 0.710 -5.283 0.586 1.00 0.00 C ATOM 426 C GLY A 28 1.478 -4.813 -0.644 1.00 0.00 C ATOM 427 O GLY A 28 2.514 -5.345 -0.994 1.00 0.00 O ATOM 0 H GLY A 28 -0.445 -3.564 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.314 -5.987 1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.194 -5.811 0.284 1.00 0.00 H new ATOM 431 N ILE A 29 0.961 -3.819 -1.303 1.00 0.00 N ATOM 432 CA ILE A 29 1.625 -3.290 -2.522 1.00 0.00 C ATOM 433 C ILE A 29 3.059 -2.900 -2.204 1.00 0.00 C ATOM 434 O ILE A 29 3.961 -3.086 -2.997 1.00 0.00 O ATOM 435 CB ILE A 29 0.868 -2.061 -2.992 1.00 0.00 C ATOM 436 CG1 ILE A 29 1.649 -1.410 -4.148 1.00 0.00 C ATOM 437 CG2 ILE A 29 0.683 -1.089 -1.822 1.00 0.00 C ATOM 438 CD1 ILE A 29 2.089 0.004 -3.770 1.00 0.00 C ATOM 0 H ILE A 29 0.096 -3.344 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 29 1.627 -4.055 -3.298 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.123 -2.338 -3.353 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.522 -2.016 -4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.026 -1.376 -5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.139 -0.208 -2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.119 -1.579 -1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.659 -0.788 -1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.639 0.448 -4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.211 0.612 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.731 -0.038 -2.890 1.00 0.00 H new ATOM 450 N TYR A 30 3.271 -2.360 -1.050 1.00 0.00 N ATOM 451 CA TYR A 30 4.650 -1.949 -0.667 1.00 0.00 C ATOM 452 C TYR A 30 5.509 -3.200 -0.526 1.00 0.00 C ATOM 453 O TYR A 30 6.536 -3.337 -1.160 1.00 0.00 O ATOM 454 CB TYR A 30 4.609 -1.198 0.665 1.00 0.00 C ATOM 455 CG TYR A 30 3.372 -0.338 0.709 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.039 0.466 -0.383 1.00 0.00 C ATOM 457 CD2 TYR A 30 2.553 -0.352 1.838 1.00 0.00 C ATOM 458 CE1 TYR A 30 1.886 1.255 -0.345 1.00 0.00 C ATOM 459 CE2 TYR A 30 1.400 0.440 1.877 1.00 0.00 C ATOM 460 CZ TYR A 30 1.067 1.243 0.784 1.00 0.00 C ATOM 461 OH TYR A 30 -0.071 2.023 0.821 1.00 0.00 O ATOM 0 H TYR A 30 2.553 -2.182 -0.348 1.00 0.00 H new ATOM 0 HA TYR A 30 5.071 -1.294 -1.430 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.605 -1.905 1.495 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.500 -0.580 0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.673 0.478 -1.257 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.809 -0.975 2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.629 1.875 -1.191 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.768 0.430 2.752 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.170 2.416 1.713 1.00 0.00 H new ATOM 471 N ALA A 31 5.086 -4.126 0.284 1.00 0.00 N ATOM 472 CA ALA A 31 5.867 -5.380 0.445 1.00 0.00 C ATOM 473 C ALA A 31 5.961 -6.074 -0.915 1.00 0.00 C ATOM 474 O ALA A 31 6.901 -6.792 -1.197 1.00 0.00 O ATOM 475 CB ALA A 31 5.156 -6.298 1.442 1.00 0.00 C ATOM 0 H ALA A 31 4.234 -4.069 0.841 1.00 0.00 H new ATOM 0 HA ALA A 31 6.866 -5.154 0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.728 -7.218 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.074 -5.795 2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.159 -6.536 1.071 1.00 0.00 H new ATOM 481 N HIS A 32 4.992 -5.854 -1.766 1.00 0.00 N ATOM 482 CA HIS A 32 5.019 -6.488 -3.112 1.00 0.00 C ATOM 483 C HIS A 32 5.997 -5.729 -4.007 1.00 0.00 C ATOM 484 O HIS A 32 6.943 -6.284 -4.530 1.00 0.00 O ATOM 485 CB HIS A 32 3.622 -6.417 -3.730 1.00 0.00 C ATOM 486 CG HIS A 32 3.669 -6.964 -5.129 1.00 0.00 C ATOM 487 ND1 HIS A 32 2.921 -8.062 -5.523 1.00 0.00 N ATOM 488 CD2 HIS A 32 4.377 -6.574 -6.239 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.193 -8.294 -6.820 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.076 -7.415 -7.306 1.00 0.00 N ATOM 0 H HIS A 32 4.183 -5.261 -1.583 1.00 0.00 H new ATOM 0 HA HIS A 32 5.332 -7.528 -3.020 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.916 -6.988 -3.127 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.269 -5.386 -3.742 1.00 0.00 H new ATOM 0 HD1 HIS A 32 2.281 -8.597 -4.936 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.063 -5.741 -6.278 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.752 -9.093 -7.398 1.00 0.00 H new ATOM 498 N ILE A 33 5.764 -4.460 -4.186 1.00 0.00 N ATOM 499 CA ILE A 33 6.661 -3.641 -5.050 1.00 0.00 C ATOM 500 C ILE A 33 8.108 -3.792 -4.579 1.00 0.00 C ATOM 501 O ILE A 33 9.024 -3.892 -5.372 1.00 0.00 O ATOM 502 CB ILE A 33 6.235 -2.173 -4.952 1.00 0.00 C ATOM 503 CG1 ILE A 33 6.796 -1.391 -6.144 1.00 0.00 C ATOM 504 CG2 ILE A 33 6.756 -1.559 -3.650 1.00 0.00 C ATOM 505 CD1 ILE A 33 8.319 -1.294 -6.031 1.00 0.00 C ATOM 0 H ILE A 33 4.985 -3.950 -3.768 1.00 0.00 H new ATOM 0 HA ILE A 33 6.589 -3.978 -6.084 1.00 0.00 H new ATOM 0 HB ILE A 33 5.146 -2.121 -4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.522 -1.885 -7.076 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.360 -0.392 -6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.447 -0.515 -3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.348 -2.107 -2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.844 -1.617 -3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.712 -0.737 -6.881 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.583 -0.780 -5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.748 -2.296 -6.024 1.00 0.00 H new ATOM 517 N THR A 34 8.318 -3.801 -3.295 1.00 0.00 N ATOM 518 CA THR A 34 9.705 -3.938 -2.770 1.00 0.00 C ATOM 519 C THR A 34 10.319 -5.236 -3.294 1.00 0.00 C ATOM 520 O THR A 34 11.522 -5.408 -3.296 1.00 0.00 O ATOM 521 CB THR A 34 9.672 -3.967 -1.240 1.00 0.00 C ATOM 522 OG1 THR A 34 8.882 -5.064 -0.805 1.00 0.00 O ATOM 523 CG2 THR A 34 9.067 -2.662 -0.718 1.00 0.00 C ATOM 0 H THR A 34 7.590 -3.720 -2.585 1.00 0.00 H new ATOM 0 HA THR A 34 10.306 -3.091 -3.102 1.00 0.00 H new ATOM 0 HB THR A 34 10.686 -4.075 -0.856 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.415 -5.455 -1.572 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.043 -2.682 0.372 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.674 -1.820 -1.052 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.052 -2.553 -1.101 1.00 0.00 H new ATOM 531 N LYS A 35 9.505 -6.148 -3.747 1.00 0.00 N ATOM 532 CA LYS A 35 10.044 -7.430 -4.280 1.00 0.00 C ATOM 533 C LYS A 35 10.394 -7.254 -5.760 1.00 0.00 C ATOM 534 O LYS A 35 11.061 -8.078 -6.355 1.00 0.00 O ATOM 535 CB LYS A 35 8.992 -8.531 -4.128 1.00 0.00 C ATOM 536 CG LYS A 35 9.548 -9.848 -4.670 1.00 0.00 C ATOM 537 CD LYS A 35 8.595 -10.989 -4.313 1.00 0.00 C ATOM 538 CE LYS A 35 8.905 -11.490 -2.901 1.00 0.00 C ATOM 539 NZ LYS A 35 9.706 -12.743 -2.984 1.00 0.00 N ATOM 0 H LYS A 35 8.489 -6.061 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 35 10.939 -7.710 -3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.718 -8.644 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.085 -8.258 -4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.669 -9.786 -5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.535 -10.039 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.562 -10.646 -4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.700 -11.803 -5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.455 -10.730 -2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.978 -11.673 -2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.917 -13.084 -2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.165 -13.467 -3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.596 -12.553 -3.488 1.00 0.00 H new ATOM 553 N HIS A 36 9.949 -6.182 -6.359 1.00 0.00 N ATOM 554 CA HIS A 36 10.254 -5.946 -7.798 1.00 0.00 C ATOM 555 C HIS A 36 11.295 -4.832 -7.922 1.00 0.00 C ATOM 556 O HIS A 36 12.431 -5.068 -8.282 1.00 0.00 O ATOM 557 CB HIS A 36 8.974 -5.532 -8.528 1.00 0.00 C ATOM 558 CG HIS A 36 8.371 -6.734 -9.200 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.505 -6.967 -10.560 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.628 -7.781 -8.712 1.00 0.00 C ATOM 561 CE1 HIS A 36 7.860 -8.113 -10.841 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.307 -8.650 -9.750 1.00 0.00 N ATOM 0 H HIS A 36 9.386 -5.458 -5.912 1.00 0.00 H new ATOM 0 HA HIS A 36 10.646 -6.861 -8.242 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.263 -5.101 -7.823 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.196 -4.762 -9.267 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.337 -7.910 -7.680 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.797 -8.546 -11.828 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.765 -9.512 -9.691 1.00 0.00 H new ATOM 570 N TYR A 37 10.918 -3.618 -7.624 1.00 0.00 N ATOM 571 CA TYR A 37 11.885 -2.488 -7.723 1.00 0.00 C ATOM 572 C TYR A 37 12.781 -2.485 -6.475 1.00 0.00 C ATOM 573 O TYR A 37 12.300 -2.669 -5.374 1.00 0.00 O ATOM 574 CB TYR A 37 11.112 -1.168 -7.817 1.00 0.00 C ATOM 575 CG TYR A 37 10.243 -1.183 -9.048 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.714 -1.773 -10.224 1.00 0.00 C ATOM 577 CD2 TYR A 37 8.964 -0.613 -9.013 1.00 0.00 C ATOM 578 CE1 TYR A 37 9.910 -1.798 -11.368 1.00 0.00 C ATOM 579 CE2 TYR A 37 8.159 -0.636 -10.158 1.00 0.00 C ATOM 580 CZ TYR A 37 8.633 -1.230 -11.335 1.00 0.00 C ATOM 581 OH TYR A 37 7.844 -1.248 -12.465 1.00 0.00 O ATOM 0 H TYR A 37 9.981 -3.360 -7.316 1.00 0.00 H new ATOM 0 HA TYR A 37 12.505 -2.602 -8.612 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.498 -1.029 -6.927 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.807 -0.329 -7.859 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.701 -2.211 -10.249 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.600 -0.157 -8.104 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.275 -2.255 -12.276 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.173 -0.196 -10.134 1.00 0.00 H new ATOM 0 HH TYR A 37 7.895 -0.378 -12.914 1.00 0.00 H new ATOM 591 N PRO A 38 14.060 -2.292 -6.684 1.00 0.00 N ATOM 592 CA PRO A 38 15.050 -2.280 -5.591 1.00 0.00 C ATOM 593 C PRO A 38 15.030 -0.944 -4.840 1.00 0.00 C ATOM 594 O PRO A 38 15.310 -0.886 -3.659 1.00 0.00 O ATOM 595 CB PRO A 38 16.385 -2.479 -6.316 1.00 0.00 C ATOM 596 CG PRO A 38 16.160 -2.030 -7.780 1.00 0.00 C ATOM 597 CD PRO A 38 14.640 -2.069 -8.025 1.00 0.00 C ATOM 0 HA PRO A 38 14.855 -3.043 -4.837 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.173 -1.891 -5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.698 -3.522 -6.274 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.553 -1.026 -7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.681 -2.691 -8.472 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.283 -1.137 -8.463 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.368 -2.869 -8.714 1.00 0.00 H new ATOM 605 N TYR A 39 14.708 0.127 -5.508 1.00 0.00 N ATOM 606 CA TYR A 39 14.680 1.448 -4.818 1.00 0.00 C ATOM 607 C TYR A 39 13.583 1.445 -3.752 1.00 0.00 C ATOM 608 O TYR A 39 13.743 1.995 -2.680 1.00 0.00 O ATOM 609 CB TYR A 39 14.397 2.556 -5.834 1.00 0.00 C ATOM 610 CG TYR A 39 14.152 3.854 -5.103 1.00 0.00 C ATOM 611 CD1 TYR A 39 15.234 4.605 -4.629 1.00 0.00 C ATOM 612 CD2 TYR A 39 12.843 4.302 -4.894 1.00 0.00 C ATOM 613 CE1 TYR A 39 15.005 5.807 -3.948 1.00 0.00 C ATOM 614 CE2 TYR A 39 12.614 5.503 -4.213 1.00 0.00 C ATOM 615 CZ TYR A 39 13.695 6.255 -3.740 1.00 0.00 C ATOM 616 OH TYR A 39 13.468 7.439 -3.067 1.00 0.00 O ATOM 0 H TYR A 39 14.464 0.147 -6.498 1.00 0.00 H new ATOM 0 HA TYR A 39 15.647 1.627 -4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 39 15.240 2.663 -6.516 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.528 2.297 -6.439 1.00 0.00 H new ATOM 0 HD1 TYR A 39 16.244 4.258 -4.788 1.00 0.00 H new ATOM 0 HD2 TYR A 39 12.009 3.721 -5.258 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.839 6.388 -3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 39 11.604 5.849 -4.053 1.00 0.00 H new ATOM 0 HH TYR A 39 12.504 7.603 -3.010 1.00 0.00 H new ATOM 626 N TYR A 40 12.467 0.832 -4.037 1.00 0.00 N ATOM 627 CA TYR A 40 11.359 0.795 -3.040 1.00 0.00 C ATOM 628 C TYR A 40 11.628 -0.311 -2.016 1.00 0.00 C ATOM 629 O TYR A 40 11.301 -1.461 -2.233 1.00 0.00 O ATOM 630 CB TYR A 40 10.039 0.512 -3.759 1.00 0.00 C ATOM 631 CG TYR A 40 9.381 1.816 -4.139 1.00 0.00 C ATOM 632 CD1 TYR A 40 9.011 2.729 -3.144 1.00 0.00 C ATOM 633 CD2 TYR A 40 9.136 2.111 -5.485 1.00 0.00 C ATOM 634 CE1 TYR A 40 8.397 3.937 -3.496 1.00 0.00 C ATOM 635 CE2 TYR A 40 8.523 3.319 -5.837 1.00 0.00 C ATOM 636 CZ TYR A 40 8.153 4.232 -4.843 1.00 0.00 C ATOM 637 OH TYR A 40 7.547 5.423 -5.189 1.00 0.00 O ATOM 0 H TYR A 40 12.274 0.355 -4.918 1.00 0.00 H new ATOM 0 HA TYR A 40 11.298 1.756 -2.528 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.220 -0.089 -4.650 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.378 -0.066 -3.113 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.199 2.501 -2.105 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.420 1.406 -6.252 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.112 4.641 -2.729 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.335 3.547 -6.876 1.00 0.00 H new ATOM 0 HH TYR A 40 6.615 5.255 -5.439 1.00 0.00 H new ATOM 647 N ARG A 41 12.222 0.025 -0.903 1.00 0.00 N ATOM 648 CA ARG A 41 12.507 -1.012 0.129 1.00 0.00 C ATOM 649 C ARG A 41 12.406 -0.387 1.523 1.00 0.00 C ATOM 650 O ARG A 41 11.547 -0.735 2.309 1.00 0.00 O ATOM 651 CB ARG A 41 13.918 -1.565 -0.079 1.00 0.00 C ATOM 652 CG ARG A 41 13.839 -3.058 -0.399 1.00 0.00 C ATOM 653 CD ARG A 41 15.110 -3.751 0.094 1.00 0.00 C ATOM 654 NE ARG A 41 14.798 -4.553 1.309 1.00 0.00 N ATOM 655 CZ ARG A 41 14.923 -5.852 1.286 1.00 0.00 C ATOM 656 NH1 ARG A 41 16.105 -6.391 1.176 1.00 0.00 N ATOM 657 NH2 ARG A 41 13.866 -6.611 1.371 1.00 0.00 N ATOM 0 H ARG A 41 12.522 0.970 -0.664 1.00 0.00 H new ATOM 0 HA ARG A 41 11.782 -1.821 0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.412 -1.034 -0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.518 -1.406 0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.963 -3.498 0.078 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.724 -3.205 -1.473 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.512 -4.396 -0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 41 15.876 -3.010 0.321 1.00 0.00 H new ATOM 0 HE ARG A 41 14.486 -4.087 2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.932 -5.798 1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.203 -7.406 1.158 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.941 -6.190 1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.964 -7.626 1.353 1.00 0.00 H new ATOM 671 N THR A 42 13.277 0.533 1.834 1.00 0.00 N ATOM 672 CA THR A 42 13.232 1.181 3.175 1.00 0.00 C ATOM 673 C THR A 42 13.505 2.679 3.024 1.00 0.00 C ATOM 674 O THR A 42 14.153 3.290 3.851 1.00 0.00 O ATOM 675 CB THR A 42 14.298 0.554 4.076 1.00 0.00 C ATOM 676 OG1 THR A 42 15.042 -0.399 3.329 1.00 0.00 O ATOM 677 CG2 THR A 42 13.620 -0.133 5.265 1.00 0.00 C ATOM 0 H THR A 42 14.019 0.864 1.217 1.00 0.00 H new ATOM 0 HA THR A 42 12.248 1.035 3.620 1.00 0.00 H new ATOM 0 HB THR A 42 14.970 1.328 4.445 1.00 0.00 H new ATOM 0 HG1 THR A 42 15.727 -0.802 3.903 1.00 0.00 H new ATOM 0 HG21 THR A 42 14.378 -0.580 5.908 1.00 0.00 H new ATOM 0 HG22 THR A 42 13.050 0.602 5.833 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.948 -0.911 4.901 1.00 0.00 H new ATOM 685 N ALA A 43 13.018 3.273 1.970 1.00 0.00 N ATOM 686 CA ALA A 43 13.249 4.730 1.757 1.00 0.00 C ATOM 687 C ALA A 43 12.392 5.534 2.738 1.00 0.00 C ATOM 688 O ALA A 43 12.125 5.104 3.843 1.00 0.00 O ATOM 689 CB ALA A 43 12.868 5.100 0.323 1.00 0.00 C ATOM 0 H ALA A 43 12.469 2.811 1.245 1.00 0.00 H new ATOM 0 HA ALA A 43 14.301 4.960 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.036 6.165 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.480 4.529 -0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.816 4.870 0.155 1.00 0.00 H new ATOM 695 N ASP A 44 11.961 6.701 2.344 1.00 0.00 N ATOM 696 CA ASP A 44 11.125 7.535 3.252 1.00 0.00 C ATOM 697 C ASP A 44 9.678 7.040 3.216 1.00 0.00 C ATOM 698 O ASP A 44 9.311 6.225 2.393 1.00 0.00 O ATOM 699 CB ASP A 44 11.175 8.992 2.790 1.00 0.00 C ATOM 700 CG ASP A 44 12.615 9.502 2.861 1.00 0.00 C ATOM 701 OD1 ASP A 44 13.517 8.681 2.824 1.00 0.00 O ATOM 702 OD2 ASP A 44 12.793 10.706 2.952 1.00 0.00 O ATOM 0 H ASP A 44 12.152 7.113 1.431 1.00 0.00 H new ATOM 0 HA ASP A 44 11.508 7.460 4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.799 9.074 1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.529 9.606 3.418 1.00 0.00 H new ATOM 707 N LYS A 45 8.852 7.525 4.102 1.00 0.00 N ATOM 708 CA LYS A 45 7.429 7.082 4.116 1.00 0.00 C ATOM 709 C LYS A 45 6.604 7.992 3.201 1.00 0.00 C ATOM 710 O LYS A 45 5.480 8.338 3.504 1.00 0.00 O ATOM 711 CB LYS A 45 6.883 7.162 5.543 1.00 0.00 C ATOM 712 CG LYS A 45 6.775 5.751 6.128 1.00 0.00 C ATOM 713 CD LYS A 45 6.655 5.835 7.651 1.00 0.00 C ATOM 714 CE LYS A 45 5.494 6.759 8.024 1.00 0.00 C ATOM 715 NZ LYS A 45 4.205 6.120 7.636 1.00 0.00 N ATOM 0 H LYS A 45 9.101 8.209 4.817 1.00 0.00 H new ATOM 0 HA LYS A 45 7.364 6.054 3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.540 7.774 6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.905 7.643 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.907 5.239 5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.652 5.165 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.491 4.842 8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.584 6.211 8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.505 6.959 9.095 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.603 7.719 7.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.413 6.672 8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.131 6.089 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.170 5.152 8.014 1.00 0.00 H new ATOM 729 N GLY A 46 7.154 8.381 2.081 1.00 0.00 N ATOM 730 CA GLY A 46 6.401 9.269 1.146 1.00 0.00 C ATOM 731 C GLY A 46 5.285 8.468 0.473 1.00 0.00 C ATOM 732 O GLY A 46 4.122 8.619 0.790 1.00 0.00 O ATOM 0 H GLY A 46 8.091 8.123 1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.980 10.114 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.075 9.678 0.393 1.00 0.00 H new ATOM 736 N TRP A 47 5.628 7.622 -0.461 1.00 0.00 N ATOM 737 CA TRP A 47 4.587 6.818 -1.159 1.00 0.00 C ATOM 738 C TRP A 47 3.798 5.981 -0.150 1.00 0.00 C ATOM 739 O TRP A 47 2.750 5.453 -0.459 1.00 0.00 O ATOM 740 CB TRP A 47 5.256 5.894 -2.181 1.00 0.00 C ATOM 741 CG TRP A 47 6.109 4.867 -1.494 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.098 5.129 -0.601 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.084 3.417 -1.653 1.00 0.00 C ATOM 744 NE1 TRP A 47 7.673 3.938 -0.207 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.087 2.856 -0.825 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.299 2.539 -2.424 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.305 1.480 -0.767 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.518 1.155 -2.367 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.520 0.627 -1.542 1.00 0.00 C ATOM 0 H TRP A 47 6.585 7.454 -0.770 1.00 0.00 H new ATOM 0 HA TRP A 47 3.900 7.494 -1.669 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.494 5.397 -2.782 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.868 6.483 -2.865 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.388 6.110 -0.255 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.440 3.868 0.462 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.523 2.934 -3.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.076 1.078 -0.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.910 0.491 -2.963 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.684 -0.440 -1.506 1.00 0.00 H new ATOM 760 N GLN A 48 4.275 5.863 1.057 1.00 0.00 N ATOM 761 CA GLN A 48 3.524 5.067 2.065 1.00 0.00 C ATOM 762 C GLN A 48 2.102 5.626 2.184 1.00 0.00 C ATOM 763 O GLN A 48 1.134 4.965 1.861 1.00 0.00 O ATOM 764 CB GLN A 48 4.230 5.161 3.419 1.00 0.00 C ATOM 765 CG GLN A 48 4.033 3.857 4.194 1.00 0.00 C ATOM 766 CD GLN A 48 4.531 2.678 3.355 1.00 0.00 C ATOM 767 OE1 GLN A 48 4.177 1.544 3.611 1.00 0.00 O ATOM 768 NE2 GLN A 48 5.347 2.895 2.359 1.00 0.00 N ATOM 0 H GLN A 48 5.145 6.280 1.387 1.00 0.00 H new ATOM 0 HA GLN A 48 3.482 4.023 1.755 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.293 5.352 3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.831 5.999 3.991 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.576 3.899 5.138 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.979 3.723 4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.646 3.846 2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.686 2.114 1.798 1.00 0.00 H new ATOM 777 N ASN A 49 1.972 6.845 2.636 1.00 0.00 N ATOM 778 CA ASN A 49 0.617 7.455 2.767 1.00 0.00 C ATOM 779 C ASN A 49 0.072 7.785 1.378 1.00 0.00 C ATOM 780 O ASN A 49 -1.114 7.706 1.129 1.00 0.00 O ATOM 781 CB ASN A 49 0.714 8.741 3.591 1.00 0.00 C ATOM 782 CG ASN A 49 -0.685 9.164 4.045 1.00 0.00 C ATOM 783 OD1 ASN A 49 -1.386 8.401 4.679 1.00 0.00 O ATOM 784 ND2 ASN A 49 -1.123 10.357 3.747 1.00 0.00 N ATOM 0 H ASN A 49 2.746 7.445 2.920 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.051 6.752 3.265 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.356 8.583 4.457 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.170 9.533 2.996 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.054 10.648 4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.535 10.998 3.215 1.00 0.00 H new ATOM 791 N SER A 50 0.932 8.161 0.473 1.00 0.00 N ATOM 792 CA SER A 50 0.472 8.506 -0.901 1.00 0.00 C ATOM 793 C SER A 50 -0.306 7.331 -1.500 1.00 0.00 C ATOM 794 O SER A 50 -1.427 7.479 -1.944 1.00 0.00 O ATOM 795 CB SER A 50 1.687 8.811 -1.777 1.00 0.00 C ATOM 796 OG SER A 50 2.680 9.461 -0.994 1.00 0.00 O ATOM 0 H SER A 50 1.937 8.244 0.626 1.00 0.00 H new ATOM 0 HA SER A 50 -0.179 9.379 -0.855 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.086 7.889 -2.199 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.396 9.445 -2.615 1.00 0.00 H new ATOM 0 HG SER A 50 3.102 8.810 -0.395 1.00 0.00 H new ATOM 802 N ILE A 51 0.284 6.167 -1.527 1.00 0.00 N ATOM 803 CA ILE A 51 -0.419 4.988 -2.112 1.00 0.00 C ATOM 804 C ILE A 51 -1.816 4.857 -1.511 1.00 0.00 C ATOM 805 O ILE A 51 -2.802 4.870 -2.220 1.00 0.00 O ATOM 806 CB ILE A 51 0.381 3.714 -1.829 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.673 3.720 -2.658 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.459 2.486 -2.199 1.00 0.00 C ATOM 809 CD1 ILE A 51 1.372 4.171 -4.085 1.00 0.00 C ATOM 0 H ILE A 51 1.221 5.981 -1.170 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.506 5.130 -3.189 1.00 0.00 H new ATOM 0 HB ILE A 51 0.632 3.675 -0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.404 4.388 -2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.114 2.723 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.112 1.580 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.373 2.478 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.714 2.525 -3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.293 4.173 -4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.656 3.486 -4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.951 5.176 -4.068 1.00 0.00 H new ATOM 821 N ARG A 52 -1.921 4.733 -0.216 1.00 0.00 N ATOM 822 CA ARG A 52 -3.271 4.597 0.397 1.00 0.00 C ATOM 823 C ARG A 52 -4.181 5.673 -0.191 1.00 0.00 C ATOM 824 O ARG A 52 -5.319 5.424 -0.533 1.00 0.00 O ATOM 825 CB ARG A 52 -3.171 4.777 1.914 1.00 0.00 C ATOM 826 CG ARG A 52 -4.577 4.821 2.519 1.00 0.00 C ATOM 827 CD ARG A 52 -4.741 6.105 3.334 1.00 0.00 C ATOM 828 NE ARG A 52 -5.563 5.821 4.546 1.00 0.00 N ATOM 829 CZ ARG A 52 -5.143 6.199 5.722 1.00 0.00 C ATOM 830 NH1 ARG A 52 -4.751 7.431 5.910 1.00 0.00 N ATOM 831 NH2 ARG A 52 -5.116 5.347 6.711 1.00 0.00 N ATOM 0 H ARG A 52 -1.138 4.720 0.438 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.678 3.608 0.187 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.601 3.957 2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.635 5.697 2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.326 4.781 1.728 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.738 3.951 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.764 6.491 3.626 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.220 6.875 2.728 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.453 5.331 4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.773 8.097 5.138 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.423 7.727 6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.423 4.386 6.564 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.788 5.643 7.630 1.00 0.00 H new ATOM 845 N HIS A 53 -3.678 6.866 -0.326 1.00 0.00 N ATOM 846 CA HIS A 53 -4.497 7.963 -0.908 1.00 0.00 C ATOM 847 C HIS A 53 -4.586 7.788 -2.431 1.00 0.00 C ATOM 848 O HIS A 53 -5.538 8.209 -3.058 1.00 0.00 O ATOM 849 CB HIS A 53 -3.834 9.303 -0.584 1.00 0.00 C ATOM 850 CG HIS A 53 -4.836 10.415 -0.729 1.00 0.00 C ATOM 851 ND1 HIS A 53 -4.465 11.698 -1.099 1.00 0.00 N ATOM 852 CD2 HIS A 53 -6.196 10.455 -0.550 1.00 0.00 C ATOM 853 CE1 HIS A 53 -5.579 12.450 -1.130 1.00 0.00 C ATOM 854 NE2 HIS A 53 -6.664 11.741 -0.804 1.00 0.00 N ATOM 0 H HIS A 53 -2.730 7.130 -0.057 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.502 7.936 -0.486 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.439 9.287 0.432 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.990 9.472 -1.252 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.810 9.616 -0.257 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.595 13.499 -1.387 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.628 12.071 -0.752 1.00 0.00 H new ATOM 862 N ASN A 54 -3.589 7.190 -3.032 1.00 0.00 N ATOM 863 CA ASN A 54 -3.599 7.010 -4.515 1.00 0.00 C ATOM 864 C ASN A 54 -4.618 5.948 -4.948 1.00 0.00 C ATOM 865 O ASN A 54 -5.274 6.097 -5.961 1.00 0.00 O ATOM 866 CB ASN A 54 -2.205 6.586 -4.982 1.00 0.00 C ATOM 867 CG ASN A 54 -1.289 7.810 -5.038 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.640 8.818 -5.618 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.121 7.764 -4.459 1.00 0.00 N ATOM 0 H ASN A 54 -2.766 6.818 -2.558 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.883 7.960 -4.968 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.793 5.842 -4.301 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.266 6.119 -5.965 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.497 8.574 -4.493 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.174 6.918 -3.972 1.00 0.00 H new ATOM 876 N LEU A 55 -4.749 4.868 -4.223 1.00 0.00 N ATOM 877 CA LEU A 55 -5.716 3.816 -4.658 1.00 0.00 C ATOM 878 C LEU A 55 -7.125 4.408 -4.757 1.00 0.00 C ATOM 879 O LEU A 55 -7.994 3.853 -5.399 1.00 0.00 O ATOM 880 CB LEU A 55 -5.741 2.641 -3.664 1.00 0.00 C ATOM 881 CG LEU A 55 -4.327 2.151 -3.297 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.277 2.645 -4.298 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.982 2.648 -1.897 1.00 0.00 C ATOM 0 H LEU A 55 -4.238 4.670 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.393 3.450 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.263 2.947 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.308 1.816 -4.095 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.320 1.061 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.293 2.278 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.520 2.274 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.269 3.735 -4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.983 2.307 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.011 3.737 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.706 2.255 -1.183 1.00 0.00 H new ATOM 895 N SER A 56 -7.365 5.522 -4.124 1.00 0.00 N ATOM 896 CA SER A 56 -8.726 6.127 -4.183 1.00 0.00 C ATOM 897 C SER A 56 -8.824 7.099 -5.363 1.00 0.00 C ATOM 898 O SER A 56 -9.888 7.321 -5.906 1.00 0.00 O ATOM 899 CB SER A 56 -9.002 6.879 -2.882 1.00 0.00 C ATOM 900 OG SER A 56 -10.216 6.404 -2.314 1.00 0.00 O ATOM 0 H SER A 56 -6.681 6.038 -3.570 1.00 0.00 H new ATOM 0 HA SER A 56 -9.462 5.334 -4.316 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.179 6.734 -2.183 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.072 7.950 -3.075 1.00 0.00 H new ATOM 0 HG SER A 56 -10.396 6.883 -1.478 1.00 0.00 H new ATOM 906 N LEU A 57 -7.729 7.689 -5.761 1.00 0.00 N ATOM 907 CA LEU A 57 -7.776 8.653 -6.899 1.00 0.00 C ATOM 908 C LEU A 57 -7.936 7.894 -8.220 1.00 0.00 C ATOM 909 O LEU A 57 -8.940 8.008 -8.893 1.00 0.00 O ATOM 910 CB LEU A 57 -6.481 9.468 -6.932 1.00 0.00 C ATOM 911 CG LEU A 57 -6.178 10.004 -5.531 1.00 0.00 C ATOM 912 CD1 LEU A 57 -4.831 10.727 -5.543 1.00 0.00 C ATOM 913 CD2 LEU A 57 -7.278 10.981 -5.111 1.00 0.00 C ATOM 0 H LEU A 57 -6.807 7.546 -5.349 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.626 9.322 -6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.657 8.846 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.577 10.295 -7.636 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.139 9.175 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.614 11.109 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.047 10.031 -5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.870 11.557 -6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.063 11.364 -4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.317 11.811 -5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.239 10.466 -5.103 1.00 0.00 H new ATOM 925 N ASN A 58 -6.953 7.123 -8.598 1.00 0.00 N ATOM 926 CA ASN A 58 -7.048 6.363 -9.878 1.00 0.00 C ATOM 927 C ASN A 58 -8.387 5.624 -9.942 1.00 0.00 C ATOM 928 O ASN A 58 -8.969 5.283 -8.931 1.00 0.00 O ATOM 929 CB ASN A 58 -5.902 5.353 -9.952 1.00 0.00 C ATOM 930 CG ASN A 58 -4.592 6.045 -9.571 1.00 0.00 C ATOM 931 OD1 ASN A 58 -4.008 6.751 -10.370 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.102 5.873 -8.373 1.00 0.00 N ATOM 0 H ASN A 58 -6.088 6.986 -8.076 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.981 7.055 -10.717 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.094 4.518 -9.279 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.830 4.941 -10.959 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.230 6.331 -8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.591 5.281 -7.702 1.00 0.00 H new ATOM 939 N ARG A 59 -8.883 5.378 -11.126 1.00 0.00 N ATOM 940 CA ARG A 59 -10.185 4.666 -11.256 1.00 0.00 C ATOM 941 C ARG A 59 -9.941 3.155 -11.333 1.00 0.00 C ATOM 942 O ARG A 59 -10.844 2.363 -11.150 1.00 0.00 O ATOM 943 CB ARG A 59 -10.900 5.135 -12.525 1.00 0.00 C ATOM 944 CG ARG A 59 -10.052 4.787 -13.750 1.00 0.00 C ATOM 945 CD ARG A 59 -10.677 3.597 -14.481 1.00 0.00 C ATOM 946 NE ARG A 59 -9.839 3.236 -15.659 1.00 0.00 N ATOM 947 CZ ARG A 59 -9.690 4.085 -16.638 1.00 0.00 C ATOM 948 NH1 ARG A 59 -10.737 4.600 -17.218 1.00 0.00 N ATOM 949 NH2 ARG A 59 -8.493 4.418 -17.036 1.00 0.00 N ATOM 0 H ARG A 59 -8.442 5.640 -12.008 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.805 4.887 -10.387 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.878 4.660 -12.600 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.071 6.211 -12.482 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.989 5.646 -14.418 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.034 4.546 -13.444 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.759 2.745 -13.806 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.688 3.846 -14.804 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.382 2.325 -15.700 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.673 4.339 -16.906 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.621 5.264 -17.984 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.674 4.014 -16.582 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.376 5.082 -17.802 1.00 0.00 H new ATOM 963 N TYR A 60 -8.727 2.749 -11.594 1.00 0.00 N ATOM 964 CA TYR A 60 -8.436 1.287 -11.671 1.00 0.00 C ATOM 965 C TYR A 60 -7.988 0.795 -10.301 1.00 0.00 C ATOM 966 O TYR A 60 -7.231 -0.148 -10.181 1.00 0.00 O ATOM 967 CB TYR A 60 -7.324 1.014 -12.686 1.00 0.00 C ATOM 968 CG TYR A 60 -6.303 2.125 -12.664 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.487 3.249 -13.471 1.00 0.00 C ATOM 970 CD2 TYR A 60 -5.168 2.026 -11.847 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.543 4.279 -13.468 1.00 0.00 C ATOM 972 CE2 TYR A 60 -4.222 3.058 -11.843 1.00 0.00 C ATOM 973 CZ TYR A 60 -4.410 4.186 -12.654 1.00 0.00 C ATOM 974 OH TYR A 60 -3.477 5.203 -12.653 1.00 0.00 O ATOM 0 H TYR A 60 -7.928 3.362 -11.756 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.339 0.764 -11.986 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.841 0.064 -12.458 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -7.750 0.923 -13.685 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.362 3.323 -14.100 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.024 1.157 -11.223 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.688 5.147 -14.094 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.347 2.985 -11.215 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.696 5.847 -11.948 1.00 0.00 H new ATOM 984 N PHE A 61 -8.445 1.433 -9.264 1.00 0.00 N ATOM 985 CA PHE A 61 -8.042 1.013 -7.898 1.00 0.00 C ATOM 986 C PHE A 61 -9.229 1.187 -6.949 1.00 0.00 C ATOM 987 O PHE A 61 -9.937 2.173 -7.002 1.00 0.00 O ATOM 988 CB PHE A 61 -6.876 1.886 -7.437 1.00 0.00 C ATOM 989 CG PHE A 61 -5.584 1.407 -8.075 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.318 0.034 -8.208 1.00 0.00 C ATOM 991 CD2 PHE A 61 -4.651 2.342 -8.538 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.123 -0.390 -8.801 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.458 1.913 -9.129 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.196 0.547 -9.259 1.00 0.00 C ATOM 0 H PHE A 61 -9.082 2.229 -9.304 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.735 -0.033 -7.900 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.061 2.926 -7.707 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.790 1.849 -6.351 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.034 -0.693 -7.854 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.853 3.398 -8.439 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.918 -1.445 -8.904 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.740 2.637 -9.485 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.275 0.216 -9.715 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.457 0.240 -6.083 1.00 0.00 N ATOM 1005 CA ILE A 62 -10.605 0.361 -5.140 1.00 0.00 C ATOM 1006 C ILE A 62 -10.251 -0.291 -3.803 1.00 0.00 C ATOM 1007 O ILE A 62 -9.346 -1.098 -3.711 1.00 0.00 O ATOM 1008 CB ILE A 62 -11.830 -0.335 -5.736 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -11.539 -1.830 -5.892 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.144 0.266 -7.107 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -12.830 -2.627 -5.693 1.00 0.00 C ATOM 0 H ILE A 62 -8.901 -0.610 -5.987 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.825 1.416 -4.978 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.685 -0.195 -5.074 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.125 -2.029 -6.881 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.790 -2.143 -5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.017 -0.231 -7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.349 1.331 -6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.290 0.126 -7.770 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.622 -3.691 -5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -13.225 -2.437 -4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.565 -2.321 -6.438 1.00 0.00 H new ATOM 1023 N LYS A 63 -10.963 0.051 -2.764 1.00 0.00 N ATOM 1024 CA LYS A 63 -10.678 -0.546 -1.430 1.00 0.00 C ATOM 1025 C LYS A 63 -11.804 -1.510 -1.056 1.00 0.00 C ATOM 1026 O LYS A 63 -12.917 -1.390 -1.529 1.00 0.00 O ATOM 1027 CB LYS A 63 -10.591 0.566 -0.382 1.00 0.00 C ATOM 1028 CG LYS A 63 -9.142 0.714 0.087 1.00 0.00 C ATOM 1029 CD LYS A 63 -9.119 1.197 1.538 1.00 0.00 C ATOM 1030 CE LYS A 63 -8.351 0.193 2.398 1.00 0.00 C ATOM 1031 NZ LYS A 63 -8.103 0.780 3.746 1.00 0.00 N ATOM 0 H LYS A 63 -11.732 0.721 -2.783 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.732 -1.086 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.946 1.506 -0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.236 0.333 0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.623 -0.241 0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.613 1.422 -0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.648 2.178 1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.137 1.308 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.920 -0.732 2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.405 -0.062 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.581 0.097 4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.544 1.651 3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.012 1.002 4.201 1.00 0.00 H new ATOM 1045 N VAL A 64 -11.527 -2.466 -0.214 1.00 0.00 N ATOM 1046 CA VAL A 64 -12.588 -3.434 0.187 1.00 0.00 C ATOM 1047 C VAL A 64 -12.317 -3.913 1.618 1.00 0.00 C ATOM 1048 O VAL A 64 -11.181 -4.117 1.995 1.00 0.00 O ATOM 1049 CB VAL A 64 -12.595 -4.646 -0.759 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -14.017 -4.882 -1.270 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -11.667 -4.398 -1.954 1.00 0.00 C ATOM 0 H VAL A 64 -10.614 -2.620 0.214 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.557 -2.939 0.133 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.243 -5.520 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.025 -5.741 -1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.680 -5.075 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -14.362 -3.999 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.684 -5.266 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.006 -3.519 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.650 -4.233 -1.597 1.00 0.00 H new ATOM 1218 N PHE A 76 -8.262 -4.851 3.087 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.784 -5.484 1.825 1.00 0.00 C ATOM 1220 C PHE A 76 -8.268 -4.667 0.627 1.00 0.00 C ATOM 1221 O PHE A 76 -9.436 -4.670 0.292 1.00 0.00 O ATOM 1222 CB PHE A 76 -8.336 -6.908 1.726 1.00 0.00 C ATOM 1223 CG PHE A 76 -7.260 -7.829 1.202 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -6.541 -7.479 0.053 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -6.982 -9.032 1.863 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -5.544 -8.332 -0.435 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -5.984 -9.884 1.375 1.00 0.00 C ATOM 1228 CZ PHE A 76 -5.265 -9.534 0.226 1.00 0.00 C ATOM 0 HA PHE A 76 -6.694 -5.515 1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.675 -7.247 2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.202 -6.929 1.064 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.755 -6.551 -0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.537 -9.302 2.749 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.990 -8.063 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.769 -10.811 1.885 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.495 -10.191 -0.150 1.00 0.00 H new ATOM 1238 N TRP A 77 -7.380 -3.969 -0.026 1.00 0.00 N ATOM 1239 CA TRP A 77 -7.791 -3.157 -1.205 1.00 0.00 C ATOM 1240 C TRP A 77 -7.294 -3.844 -2.485 1.00 0.00 C ATOM 1241 O TRP A 77 -6.396 -4.661 -2.447 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.209 -1.739 -1.074 1.00 0.00 C ATOM 1243 CG TRP A 77 -5.826 -1.674 -1.632 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -4.704 -2.112 -1.014 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -5.407 -1.128 -2.905 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -3.619 -1.866 -1.838 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -4.004 -1.258 -3.017 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.108 -0.537 -3.967 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -3.320 -0.812 -4.147 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -5.425 -0.088 -5.102 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -4.039 -0.223 -5.193 1.00 0.00 C ATOM 0 H TRP A 77 -6.388 -3.926 0.206 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.877 -3.078 -1.253 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.850 -1.029 -1.597 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.196 -1.443 -0.025 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.662 -2.576 -0.040 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.655 -2.104 -1.604 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.181 -0.428 -3.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -2.248 -0.920 -4.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.974 0.366 -5.914 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -3.520 0.128 -6.073 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.879 -3.542 -3.615 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.435 -4.210 -4.874 1.00 0.00 C ATOM 1264 C ARG A 78 -7.565 -3.256 -6.066 1.00 0.00 C ATOM 1265 O ARG A 78 -7.881 -2.093 -5.916 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.311 -5.438 -5.122 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.775 -5.005 -5.234 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.583 -6.103 -5.929 1.00 0.00 C ATOM 1269 NE ARG A 78 -10.723 -7.270 -5.015 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.044 -8.441 -5.493 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -10.378 -8.944 -6.496 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -12.034 -9.110 -4.966 1.00 0.00 N ATOM 0 H ARG A 78 -8.638 -2.868 -3.720 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.390 -4.502 -4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.999 -5.942 -6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.193 -6.153 -4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.184 -4.811 -4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.848 -4.074 -5.797 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.567 -5.725 -6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.086 -6.407 -6.851 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.568 -7.154 -4.014 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.605 -8.422 -6.908 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.631 -9.860 -6.868 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.555 -8.717 -4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.286 -10.025 -5.338 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.326 -3.755 -7.251 1.00 0.00 N ATOM 1287 CA ILE A 79 -7.435 -2.901 -8.470 1.00 0.00 C ATOM 1288 C ILE A 79 -8.748 -3.232 -9.190 1.00 0.00 C ATOM 1289 O ILE A 79 -9.383 -4.232 -8.918 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.220 -3.149 -9.409 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.681 -3.411 -10.845 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -5.414 -4.362 -8.952 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.468 -3.751 -11.711 1.00 0.00 C ATOM 0 H ILE A 79 -7.058 -4.723 -7.427 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.433 -1.849 -8.185 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.603 -2.251 -9.370 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.398 -4.232 -10.865 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.191 -2.533 -11.241 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.570 -4.513 -9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.045 -4.193 -7.940 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.050 -5.247 -8.963 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.793 -3.938 -12.735 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.767 -2.916 -11.700 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.978 -4.641 -11.317 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.148 -2.406 -10.117 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.406 -2.683 -10.865 1.00 0.00 C ATOM 1307 C ASP A 80 -10.189 -3.919 -11.750 1.00 0.00 C ATOM 1308 O ASP A 80 -9.142 -4.071 -12.347 1.00 0.00 O ATOM 1309 CB ASP A 80 -10.756 -1.477 -11.740 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.126 -1.692 -12.384 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -13.117 -1.530 -11.692 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -12.161 -2.014 -13.560 1.00 0.00 O ATOM 0 H ASP A 80 -8.659 -1.553 -10.388 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.224 -2.865 -10.168 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.764 -0.568 -11.138 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.997 -1.342 -12.511 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.179 -4.775 -11.795 1.00 0.00 N ATOM 1318 CA PRO A 81 -11.115 -6.021 -12.582 1.00 0.00 C ATOM 1319 C PRO A 81 -11.351 -5.760 -14.075 1.00 0.00 C ATOM 1320 O PRO A 81 -10.827 -6.456 -14.922 1.00 0.00 O ATOM 1321 CB PRO A 81 -12.247 -6.870 -11.999 1.00 0.00 C ATOM 1322 CG PRO A 81 -13.235 -5.884 -11.332 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.451 -4.584 -11.067 1.00 0.00 C ATOM 0 HA PRO A 81 -10.138 -6.501 -12.521 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.742 -7.446 -12.781 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.861 -7.585 -11.272 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.090 -5.695 -11.981 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.625 -6.297 -10.402 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.992 -3.711 -11.432 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.281 -4.431 -10.001 1.00 0.00 H new ATOM 1331 N ALA A 82 -12.145 -4.780 -14.411 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.410 -4.510 -15.854 1.00 0.00 C ATOM 1333 C ALA A 82 -11.379 -3.535 -16.411 1.00 0.00 C ATOM 1334 O ALA A 82 -11.394 -3.212 -17.583 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.813 -3.925 -16.020 1.00 0.00 C ATOM 0 H ALA A 82 -12.619 -4.159 -13.755 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.339 -5.448 -16.404 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.003 -3.729 -17.075 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.550 -4.635 -15.644 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.888 -2.993 -15.459 1.00 0.00 H new ATOM 1341 N SER A 83 -10.464 -3.086 -15.605 1.00 0.00 N ATOM 1342 CA SER A 83 -9.428 -2.171 -16.125 1.00 0.00 C ATOM 1343 C SER A 83 -8.081 -2.864 -15.959 1.00 0.00 C ATOM 1344 O SER A 83 -7.065 -2.365 -16.378 1.00 0.00 O ATOM 1345 CB SER A 83 -9.450 -0.857 -15.339 1.00 0.00 C ATOM 1346 OG SER A 83 -10.452 -0.005 -15.881 1.00 0.00 O ATOM 0 H SER A 83 -10.392 -3.314 -14.613 1.00 0.00 H new ATOM 0 HA SER A 83 -9.609 -1.938 -17.174 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.653 -1.053 -14.286 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.475 -0.372 -15.391 1.00 0.00 H new ATOM 0 HG SER A 83 -10.582 0.765 -15.289 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.070 -4.022 -15.346 1.00 0.00 N ATOM 1353 CA GLU A 84 -6.788 -4.745 -15.148 1.00 0.00 C ATOM 1354 C GLU A 84 -6.179 -5.091 -16.493 1.00 0.00 C ATOM 1355 O GLU A 84 -5.033 -5.465 -16.575 1.00 0.00 O ATOM 1356 CB GLU A 84 -7.025 -6.025 -14.346 1.00 0.00 C ATOM 1357 CG GLU A 84 -5.681 -6.686 -14.032 1.00 0.00 C ATOM 1358 CD GLU A 84 -5.634 -8.079 -14.662 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -6.448 -8.344 -15.533 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -4.784 -8.860 -14.264 1.00 0.00 O ATOM 0 H GLU A 84 -8.896 -4.493 -14.976 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.102 -4.102 -14.597 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.554 -5.795 -13.421 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.656 -6.710 -14.912 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.865 -6.074 -14.417 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.544 -6.759 -12.953 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.917 -4.966 -17.552 1.00 0.00 N ATOM 1368 CA ALA A 85 -6.320 -5.271 -18.879 1.00 0.00 C ATOM 1369 C ALA A 85 -5.759 -3.972 -19.461 1.00 0.00 C ATOM 1370 O ALA A 85 -4.711 -3.952 -20.075 1.00 0.00 O ATOM 1371 CB ALA A 85 -7.386 -5.848 -19.813 1.00 0.00 C ATOM 0 H ALA A 85 -7.893 -4.671 -17.562 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.524 -6.008 -18.772 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.939 -6.068 -20.783 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.789 -6.765 -19.383 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.190 -5.123 -19.940 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.460 -2.886 -19.272 1.00 0.00 N ATOM 1378 CA LYS A 86 -5.984 -1.579 -19.809 1.00 0.00 C ATOM 1379 C LYS A 86 -5.179 -0.824 -18.744 1.00 0.00 C ATOM 1380 O LYS A 86 -4.284 -0.066 -19.057 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.192 -0.737 -20.227 1.00 0.00 C ATOM 1382 CG LYS A 86 -8.225 -1.635 -20.911 1.00 0.00 C ATOM 1383 CD LYS A 86 -9.564 -0.899 -20.999 1.00 0.00 C ATOM 1384 CE LYS A 86 -10.006 -0.475 -19.599 1.00 0.00 C ATOM 1385 NZ LYS A 86 -11.477 -0.235 -19.597 1.00 0.00 N ATOM 0 H LYS A 86 -7.345 -2.848 -18.767 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.341 -1.762 -20.670 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.633 -0.256 -19.354 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.879 0.057 -20.905 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.882 -1.907 -21.909 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.344 -2.562 -20.351 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.469 -0.024 -21.642 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.317 -1.545 -21.450 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.752 -1.249 -18.875 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.478 0.430 -19.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.780 0.054 -18.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.707 0.518 -20.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.972 -1.109 -19.868 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.492 -1.013 -17.486 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.743 -0.294 -16.415 1.00 0.00 C ATOM 1401 C LEU A 87 -3.396 -0.959 -16.194 1.00 0.00 C ATOM 1402 O LEU A 87 -2.538 -0.458 -15.495 1.00 0.00 O ATOM 1403 CB LEU A 87 -5.571 -0.310 -15.128 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.521 -1.681 -14.444 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.364 -1.721 -13.465 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.808 -1.900 -13.650 1.00 0.00 C ATOM 0 H LEU A 87 -6.232 -1.633 -17.157 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.570 0.740 -16.713 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.197 0.452 -14.444 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.606 -0.054 -15.357 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.402 -2.450 -15.207 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.331 -2.697 -12.980 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.429 -1.549 -13.999 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.499 -0.946 -12.711 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.774 -2.875 -13.163 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.907 -1.120 -12.895 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.663 -1.862 -14.325 1.00 0.00 H new ATOM 1418 N VAL A 88 -3.213 -2.085 -16.797 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.938 -2.821 -16.654 1.00 0.00 C ATOM 1420 C VAL A 88 -0.935 -2.341 -17.701 1.00 0.00 C ATOM 1421 O VAL A 88 0.262 -2.397 -17.501 1.00 0.00 O ATOM 1422 CB VAL A 88 -2.202 -4.299 -16.862 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.785 -4.902 -15.585 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -3.174 -4.484 -18.033 1.00 0.00 C ATOM 0 H VAL A 88 -3.904 -2.538 -17.395 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.528 -2.644 -15.660 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.267 -4.810 -17.094 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.974 -5.965 -15.738 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.078 -4.773 -14.766 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.720 -4.399 -15.339 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.364 -5.547 -18.183 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.112 -3.975 -17.811 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.738 -4.062 -18.938 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.410 -1.878 -18.823 1.00 0.00 N ATOM 1435 CA GLU A 89 -0.473 -1.409 -19.881 1.00 0.00 C ATOM 1436 C GLU A 89 0.462 -0.369 -19.274 1.00 0.00 C ATOM 1437 O GLU A 89 1.660 -0.406 -19.472 1.00 0.00 O ATOM 1438 CB GLU A 89 -1.264 -0.783 -21.030 1.00 0.00 C ATOM 1439 CG GLU A 89 -0.824 -1.414 -22.353 1.00 0.00 C ATOM 1440 CD GLU A 89 -1.665 -2.662 -22.628 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -2.592 -2.907 -21.875 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -1.366 -3.354 -23.589 1.00 0.00 O ATOM 0 H GLU A 89 -2.401 -1.804 -19.053 1.00 0.00 H new ATOM 0 HA GLU A 89 0.104 -2.249 -20.267 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.332 -0.938 -20.878 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.099 0.294 -21.055 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.940 -0.698 -23.166 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.233 -1.677 -22.309 1.00 0.00 H new ATOM 1449 N GLN A 90 -0.071 0.545 -18.516 1.00 0.00 N ATOM 1450 CA GLN A 90 0.796 1.565 -17.875 1.00 0.00 C ATOM 1451 C GLN A 90 1.639 0.871 -16.806 1.00 0.00 C ATOM 1452 O GLN A 90 2.702 1.331 -16.435 1.00 0.00 O ATOM 1453 CB GLN A 90 -0.072 2.648 -17.230 1.00 0.00 C ATOM 1454 CG GLN A 90 0.495 4.026 -17.575 1.00 0.00 C ATOM 1455 CD GLN A 90 -0.372 5.111 -16.931 1.00 0.00 C ATOM 1456 OE1 GLN A 90 -0.323 5.312 -15.735 1.00 0.00 O ATOM 1457 NE2 GLN A 90 -1.167 5.823 -17.681 1.00 0.00 N ATOM 0 H GLN A 90 -1.067 0.629 -18.314 1.00 0.00 H new ATOM 0 HA GLN A 90 1.442 2.033 -18.618 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.099 2.566 -17.585 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.097 2.513 -16.149 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.522 4.108 -17.219 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.520 4.160 -18.656 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.208 5.653 -18.686 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.748 6.549 -17.262 1.00 0.00 H new ATOM 1466 N ALA A 91 1.168 -0.244 -16.311 1.00 0.00 N ATOM 1467 CA ALA A 91 1.933 -0.984 -15.266 1.00 0.00 C ATOM 1468 C ALA A 91 3.335 -1.313 -15.783 1.00 0.00 C ATOM 1469 O ALA A 91 4.330 -0.928 -15.200 1.00 0.00 O ATOM 1470 CB ALA A 91 1.215 -2.289 -14.927 1.00 0.00 C ATOM 0 H ALA A 91 0.285 -0.674 -16.586 1.00 0.00 H new ATOM 0 HA ALA A 91 2.006 -0.359 -14.376 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.778 -2.826 -14.163 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.215 -2.068 -14.553 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.139 -2.906 -15.823 1.00 0.00 H new ATOM 1476 N PHE A 92 3.419 -2.038 -16.867 1.00 0.00 N ATOM 1477 CA PHE A 92 4.752 -2.413 -17.419 1.00 0.00 C ATOM 1478 C PHE A 92 5.352 -1.239 -18.198 1.00 0.00 C ATOM 1479 O PHE A 92 6.519 -1.246 -18.537 1.00 0.00 O ATOM 1480 CB PHE A 92 4.590 -3.614 -18.351 1.00 0.00 C ATOM 1481 CG PHE A 92 3.655 -4.615 -17.718 1.00 0.00 C ATOM 1482 CD1 PHE A 92 3.670 -4.806 -16.331 1.00 0.00 C ATOM 1483 CD2 PHE A 92 2.772 -5.352 -18.515 1.00 0.00 C ATOM 1484 CE1 PHE A 92 2.803 -5.732 -15.741 1.00 0.00 C ATOM 1485 CE2 PHE A 92 1.904 -6.279 -17.926 1.00 0.00 C ATOM 1486 CZ PHE A 92 1.919 -6.469 -16.539 1.00 0.00 C ATOM 0 H PHE A 92 2.619 -2.387 -17.395 1.00 0.00 H new ATOM 0 HA PHE A 92 5.421 -2.669 -16.597 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.196 -3.290 -19.315 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.559 -4.075 -18.541 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.352 -4.238 -15.716 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.760 -5.206 -19.585 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.815 -5.878 -14.671 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.223 -6.848 -18.542 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.249 -7.184 -16.085 1.00 0.00 H new ATOM 1496 N ARG A 93 4.573 -0.234 -18.489 1.00 0.00 N ATOM 1497 CA ARG A 93 5.121 0.926 -19.248 1.00 0.00 C ATOM 1498 C ARG A 93 5.623 1.986 -18.267 1.00 0.00 C ATOM 1499 O ARG A 93 4.970 2.305 -17.294 1.00 0.00 O ATOM 1500 CB ARG A 93 4.029 1.526 -20.134 1.00 0.00 C ATOM 1501 CG ARG A 93 4.647 2.571 -21.067 1.00 0.00 C ATOM 1502 CD ARG A 93 4.119 2.363 -22.486 1.00 0.00 C ATOM 1503 NE ARG A 93 4.672 1.094 -23.040 1.00 0.00 N ATOM 1504 CZ ARG A 93 5.299 1.101 -24.184 1.00 0.00 C ATOM 1505 NH1 ARG A 93 4.986 1.982 -25.094 1.00 0.00 N ATOM 1506 NH2 ARG A 93 6.236 0.223 -24.420 1.00 0.00 N ATOM 0 H ARG A 93 3.587 -0.165 -18.236 1.00 0.00 H new ATOM 0 HA ARG A 93 5.947 0.589 -19.874 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.547 0.742 -20.717 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.256 1.985 -19.517 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.402 3.575 -20.720 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.734 2.487 -21.056 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.030 2.325 -22.478 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.404 3.204 -23.119 1.00 0.00 H new ATOM 0 HE ARG A 93 4.560 0.221 -22.525 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.251 2.665 -24.911 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.476 1.988 -25.988 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.478 -0.468 -23.710 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.726 0.228 -25.314 1.00 0.00 H new