USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=22 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 83 SER OG : rot 180:sc= -0.0408 USER MOD Set 1.2: A 86 LYS NZ :NH3+ 143:sc= 0.042 (180deg=0) USER MOD Set 2.1: A 58 ASN : amide:sc= -4.25! C(o=-5!,f=-12!) USER MOD Set 2.2: A 60 TYR OH : rot -45:sc= -0.761 USER MOD Set 3.1: A 50 SER OG : rot -156:sc= 0.944 USER MOD Set 3.2: A 54 ASN : amide:sc= -8.31! C(o=-7.4!,f=-3.9!) USER MOD Set 4.1: A 8 TYR OH : rot 180:sc= -1.23! USER MOD Set 4.2: A 40 TYR OH : rot -148:sc= 1 USER MOD Set 5.1: A 18 SER OG : rot -174:sc= 0.0901 USER MOD Set 5.2: A 36 HIS : no HE2:sc= 0.0998 X(o=0.19,f=0.0027) USER MOD Set 6.1: A 6 TYR OH : rot 71:sc= -0.313! USER MOD Set 6.2: A 10 GLN : amide:sc= -9.01! C(o=-17!,f=-20!) USER MOD Set 6.3: A 14 GLN : amide:sc= -7.13! C(o=-17!,f=-23!) USER MOD Set 6.4: A 37 TYR OH : rot -91:sc= -0.136! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 62:sc= 1.01 USER MOD Single : A 20 GLN : amide:sc= -0.0575 K(o=-0.058,f=-0.85) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -70:sc= 1.24 USER MOD Single : A 32 HIS : no HE2:sc= -12.7! C(o=-13!,f=-11!) USER MOD Single : A 34 THR OG1 : rot -33:sc= 0.479 USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= -0.0204 (180deg=-0.645) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -54:sc= 0.283 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -3.47! C(o=-3.5!,f=-2!) USER MOD Single : A 49 ASN : amide:sc= -0.38 K(o=-0.38,f=-3.2!) USER MOD Single : A 53 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.097) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -132:sc= -2.07 (180deg=-4.82!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 7.698 5.125 -11.629 1.00 0.00 N ATOM 80 CA TYR A 6 6.496 5.170 -12.503 1.00 0.00 C ATOM 81 C TYR A 6 5.431 6.005 -11.798 1.00 0.00 C ATOM 82 O TYR A 6 5.607 6.408 -10.666 1.00 0.00 O ATOM 83 CB TYR A 6 5.980 3.744 -12.731 1.00 0.00 C ATOM 84 CG TYR A 6 7.149 2.784 -12.722 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.619 2.266 -11.509 1.00 0.00 C ATOM 86 CD2 TYR A 6 7.768 2.420 -13.924 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.706 1.384 -11.496 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.856 1.539 -13.910 1.00 0.00 C ATOM 89 CZ TYR A 6 9.325 1.022 -12.698 1.00 0.00 C ATOM 90 OH TYR A 6 10.400 0.158 -12.688 1.00 0.00 O ATOM 0 HA TYR A 6 6.738 5.613 -13.469 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.266 3.474 -11.953 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.452 3.683 -13.683 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.142 2.547 -10.582 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.407 2.818 -14.861 1.00 0.00 H new ATOM 0 HE1 TYR A 6 9.066 0.984 -10.560 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.334 1.258 -14.837 1.00 0.00 H new ATOM 0 HH TYR A 6 10.091 -0.746 -12.468 1.00 0.00 H new ATOM 100 N SER A 7 4.326 6.272 -12.437 1.00 0.00 N ATOM 101 CA SER A 7 3.278 7.079 -11.754 1.00 0.00 C ATOM 102 C SER A 7 3.058 6.471 -10.372 1.00 0.00 C ATOM 103 O SER A 7 3.587 5.421 -10.071 1.00 0.00 O ATOM 104 CB SER A 7 1.978 7.018 -12.555 1.00 0.00 C ATOM 105 OG SER A 7 1.971 8.065 -13.516 1.00 0.00 O ATOM 0 H SER A 7 4.105 5.972 -13.387 1.00 0.00 H new ATOM 0 HA SER A 7 3.587 8.121 -11.672 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.888 6.052 -13.052 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.121 7.115 -11.888 1.00 0.00 H new ATOM 0 HG SER A 7 1.139 8.029 -14.033 1.00 0.00 H new ATOM 111 N TYR A 8 2.290 7.094 -9.522 1.00 0.00 N ATOM 112 CA TYR A 8 2.082 6.483 -8.179 1.00 0.00 C ATOM 113 C TYR A 8 0.881 5.546 -8.224 1.00 0.00 C ATOM 114 O TYR A 8 0.299 5.193 -7.217 1.00 0.00 O ATOM 115 CB TYR A 8 1.912 7.558 -7.112 1.00 0.00 C ATOM 116 CG TYR A 8 3.190 7.578 -6.325 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.603 6.420 -5.662 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.986 8.724 -6.299 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.814 6.405 -4.967 1.00 0.00 C ATOM 120 CE2 TYR A 8 5.196 8.715 -5.598 1.00 0.00 C ATOM 121 CZ TYR A 8 5.614 7.556 -4.933 1.00 0.00 C ATOM 122 OH TYR A 8 6.813 7.547 -4.250 1.00 0.00 O ATOM 0 H TYR A 8 1.808 7.977 -9.691 1.00 0.00 H new ATOM 0 HA TYR A 8 2.964 5.902 -7.911 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.720 8.530 -7.567 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.062 7.335 -6.467 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.985 5.535 -5.687 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.668 9.616 -6.819 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.134 5.509 -4.457 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.809 9.604 -5.570 1.00 0.00 H new ATOM 0 HH TYR A 8 7.241 8.425 -4.329 1.00 0.00 H new ATOM 132 N ALA A 9 0.544 5.120 -9.401 1.00 0.00 N ATOM 133 CA ALA A 9 -0.580 4.169 -9.591 1.00 0.00 C ATOM 134 C ALA A 9 -0.049 2.956 -10.367 1.00 0.00 C ATOM 135 O ALA A 9 -0.723 1.958 -10.516 1.00 0.00 O ATOM 136 CB ALA A 9 -1.696 4.842 -10.391 1.00 0.00 C ATOM 0 H ALA A 9 1.012 5.398 -10.264 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.980 3.858 -8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.519 4.141 -10.528 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.053 5.719 -9.851 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.313 5.147 -11.365 1.00 0.00 H new ATOM 142 N GLN A 10 1.166 3.039 -10.853 1.00 0.00 N ATOM 143 CA GLN A 10 1.762 1.908 -11.610 1.00 0.00 C ATOM 144 C GLN A 10 2.396 0.940 -10.617 1.00 0.00 C ATOM 145 O GLN A 10 2.371 -0.259 -10.803 1.00 0.00 O ATOM 146 CB GLN A 10 2.839 2.446 -12.553 1.00 0.00 C ATOM 147 CG GLN A 10 2.823 1.648 -13.856 1.00 0.00 C ATOM 148 CD GLN A 10 3.348 0.233 -13.601 1.00 0.00 C ATOM 149 OE1 GLN A 10 2.636 -0.609 -13.092 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.572 -0.067 -13.939 1.00 0.00 N ATOM 0 H GLN A 10 1.772 3.854 -10.753 1.00 0.00 H new ATOM 0 HA GLN A 10 0.994 1.397 -12.191 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.662 3.502 -12.759 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.819 2.373 -12.082 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.809 1.604 -14.254 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.439 2.145 -14.606 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.171 0.639 -14.367 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.930 -1.008 -13.776 1.00 0.00 H new ATOM 159 N LEU A 11 2.946 1.450 -9.549 1.00 0.00 N ATOM 160 CA LEU A 11 3.556 0.540 -8.539 1.00 0.00 C ATOM 161 C LEU A 11 2.423 -0.285 -7.989 1.00 0.00 C ATOM 162 O LEU A 11 2.586 -1.429 -7.636 1.00 0.00 O ATOM 163 CB LEU A 11 4.208 1.291 -7.356 1.00 0.00 C ATOM 164 CG LEU A 11 4.662 2.694 -7.741 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.194 2.706 -9.169 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.482 3.647 -7.605 1.00 0.00 C ATOM 0 H LEU A 11 2.999 2.446 -9.334 1.00 0.00 H new ATOM 0 HA LEU A 11 4.342 -0.043 -9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.496 1.355 -6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.064 0.721 -6.994 1.00 0.00 H new ATOM 0 HG LEU A 11 5.467 3.013 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.514 3.715 -9.429 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.041 2.025 -9.247 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.407 2.387 -9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.795 4.655 -7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.677 3.326 -8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.129 3.644 -6.574 1.00 0.00 H new ATOM 178 N ILE A 12 1.268 0.310 -7.915 1.00 0.00 N ATOM 179 CA ILE A 12 0.095 -0.409 -7.379 1.00 0.00 C ATOM 180 C ILE A 12 -0.388 -1.442 -8.393 1.00 0.00 C ATOM 181 O ILE A 12 -0.487 -2.617 -8.099 1.00 0.00 O ATOM 182 CB ILE A 12 -1.038 0.574 -7.098 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.478 1.877 -6.518 1.00 0.00 C ATOM 184 CG2 ILE A 12 -2.011 -0.054 -6.102 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.427 1.573 -5.326 1.00 0.00 C ATOM 0 H ILE A 12 1.090 1.271 -8.206 1.00 0.00 H new ATOM 0 HA ILE A 12 0.385 -0.907 -6.454 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.556 0.800 -8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.083 2.414 -7.283 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.296 2.527 -6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.823 0.644 -5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.420 -0.973 -6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.486 -0.282 -5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.820 2.505 -4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.146 1.056 -4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.254 0.940 -5.649 1.00 0.00 H new ATOM 197 N VAL A 13 -0.697 -1.010 -9.584 1.00 0.00 N ATOM 198 CA VAL A 13 -1.188 -1.962 -10.615 1.00 0.00 C ATOM 199 C VAL A 13 -0.237 -3.154 -10.692 1.00 0.00 C ATOM 200 O VAL A 13 -0.640 -4.287 -10.523 1.00 0.00 O ATOM 201 CB VAL A 13 -1.243 -1.252 -11.968 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.502 -2.274 -13.077 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.373 -0.222 -11.948 1.00 0.00 C ATOM 0 H VAL A 13 -0.630 -0.038 -9.887 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.185 -2.314 -10.352 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.293 -0.752 -12.157 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.541 -1.764 -14.040 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.698 -3.010 -13.088 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.452 -2.776 -12.894 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.418 0.288 -12.910 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.321 -0.726 -11.760 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.187 0.507 -11.159 1.00 0.00 H new ATOM 213 N GLN A 14 1.024 -2.920 -10.922 1.00 0.00 N ATOM 214 CA GLN A 14 1.974 -4.059 -10.977 1.00 0.00 C ATOM 215 C GLN A 14 2.086 -4.664 -9.577 1.00 0.00 C ATOM 216 O GLN A 14 2.397 -5.826 -9.412 1.00 0.00 O ATOM 217 CB GLN A 14 3.345 -3.571 -11.448 1.00 0.00 C ATOM 218 CG GLN A 14 3.912 -2.569 -10.443 1.00 0.00 C ATOM 219 CD GLN A 14 4.832 -1.590 -11.175 1.00 0.00 C ATOM 220 OE1 GLN A 14 4.687 -0.390 -11.052 1.00 0.00 O ATOM 221 NE2 GLN A 14 5.782 -2.057 -11.939 1.00 0.00 N ATOM 0 H GLN A 14 1.433 -1.998 -11.073 1.00 0.00 H new ATOM 0 HA GLN A 14 1.615 -4.812 -11.679 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.025 -4.416 -11.555 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.258 -3.105 -12.430 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.102 -2.029 -9.953 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.464 -3.092 -9.662 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.904 -3.064 -12.043 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.402 -1.415 -12.432 1.00 0.00 H new ATOM 230 N ALA A 15 1.817 -3.882 -8.563 1.00 0.00 N ATOM 231 CA ALA A 15 1.888 -4.411 -7.172 1.00 0.00 C ATOM 232 C ALA A 15 0.746 -5.404 -6.964 1.00 0.00 C ATOM 233 O ALA A 15 0.946 -6.509 -6.502 1.00 0.00 O ATOM 234 CB ALA A 15 1.749 -3.259 -6.171 1.00 0.00 C ATOM 0 H ALA A 15 1.551 -2.900 -8.640 1.00 0.00 H new ATOM 0 HA ALA A 15 2.847 -4.905 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.802 -3.651 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.556 -2.543 -6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.790 -2.762 -6.319 1.00 0.00 H new ATOM 240 N ILE A 16 -0.453 -5.017 -7.307 1.00 0.00 N ATOM 241 CA ILE A 16 -1.610 -5.944 -7.130 1.00 0.00 C ATOM 242 C ILE A 16 -1.720 -6.857 -8.354 1.00 0.00 C ATOM 243 O ILE A 16 -2.035 -8.025 -8.241 1.00 0.00 O ATOM 244 CB ILE A 16 -2.922 -5.161 -6.960 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.637 -3.668 -6.729 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.678 -5.726 -5.759 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.851 -2.991 -6.083 1.00 0.00 C ATOM 0 H ILE A 16 -0.682 -4.104 -7.700 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.443 -6.538 -6.232 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.519 -5.262 -7.866 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.763 -3.552 -6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.403 -3.184 -7.677 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.612 -5.179 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.896 -6.780 -5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.067 -5.622 -4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.637 -1.934 -5.925 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.716 -3.092 -6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.065 -3.465 -5.125 1.00 0.00 H new ATOM 259 N SER A 17 -1.461 -6.337 -9.523 1.00 0.00 N ATOM 260 CA SER A 17 -1.551 -7.181 -10.747 1.00 0.00 C ATOM 261 C SER A 17 -0.560 -8.341 -10.633 1.00 0.00 C ATOM 262 O SER A 17 -0.867 -9.469 -10.965 1.00 0.00 O ATOM 263 CB SER A 17 -1.211 -6.339 -11.977 1.00 0.00 C ATOM 264 OG SER A 17 -2.160 -5.288 -12.103 1.00 0.00 O ATOM 0 H SER A 17 -1.192 -5.366 -9.683 1.00 0.00 H new ATOM 0 HA SER A 17 -2.564 -7.572 -10.847 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.206 -5.928 -11.884 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.219 -6.961 -12.872 1.00 0.00 H new ATOM 0 HG SER A 17 -2.114 -4.709 -11.313 1.00 0.00 H new ATOM 270 N SER A 18 0.628 -8.074 -10.160 1.00 0.00 N ATOM 271 CA SER A 18 1.637 -9.161 -10.021 1.00 0.00 C ATOM 272 C SER A 18 1.338 -9.972 -8.758 1.00 0.00 C ATOM 273 O SER A 18 1.910 -11.020 -8.531 1.00 0.00 O ATOM 274 CB SER A 18 3.035 -8.549 -9.917 1.00 0.00 C ATOM 275 OG SER A 18 3.975 -9.572 -9.621 1.00 0.00 O ATOM 0 H SER A 18 0.942 -7.150 -9.864 1.00 0.00 H new ATOM 0 HA SER A 18 1.592 -9.814 -10.892 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.299 -8.056 -10.853 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.053 -7.786 -9.139 1.00 0.00 H new ATOM 0 HG SER A 18 4.853 -9.171 -9.454 1.00 0.00 H new ATOM 281 N ALA A 19 0.442 -9.499 -7.936 1.00 0.00 N ATOM 282 CA ALA A 19 0.102 -10.246 -6.694 1.00 0.00 C ATOM 283 C ALA A 19 -0.523 -11.590 -7.072 1.00 0.00 C ATOM 284 O ALA A 19 -0.612 -11.936 -8.233 1.00 0.00 O ATOM 285 CB ALA A 19 -0.898 -9.434 -5.867 1.00 0.00 C ATOM 0 H ALA A 19 -0.069 -8.627 -8.072 1.00 0.00 H new ATOM 0 HA ALA A 19 1.005 -10.413 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.147 -9.981 -4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.456 -8.473 -5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.804 -9.269 -6.451 1.00 0.00 H new ATOM 291 N GLN A 20 -0.958 -12.350 -6.105 1.00 0.00 N ATOM 292 CA GLN A 20 -1.577 -13.666 -6.421 1.00 0.00 C ATOM 293 C GLN A 20 -2.691 -13.460 -7.456 1.00 0.00 C ATOM 294 O GLN A 20 -2.509 -13.716 -8.630 1.00 0.00 O ATOM 295 CB GLN A 20 -2.138 -14.288 -5.132 1.00 0.00 C ATOM 296 CG GLN A 20 -3.178 -15.361 -5.470 1.00 0.00 C ATOM 297 CD GLN A 20 -3.068 -16.507 -4.463 1.00 0.00 C ATOM 298 OE1 GLN A 20 -2.641 -16.307 -3.342 1.00 0.00 O ATOM 299 NE2 GLN A 20 -3.441 -17.708 -4.812 1.00 0.00 N ATOM 0 H GLN A 20 -0.911 -12.117 -5.113 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.832 -14.344 -6.837 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.328 -14.727 -4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.592 -13.514 -4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.180 -14.933 -5.444 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.017 -15.734 -6.482 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.799 -17.878 -5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.374 -18.477 -4.145 1.00 0.00 H new ATOM 308 N ASP A 21 -3.840 -12.990 -7.043 1.00 0.00 N ATOM 309 CA ASP A 21 -4.941 -12.761 -8.018 1.00 0.00 C ATOM 310 C ASP A 21 -4.868 -11.325 -8.538 1.00 0.00 C ATOM 311 O ASP A 21 -4.487 -11.078 -9.665 1.00 0.00 O ATOM 312 CB ASP A 21 -6.291 -12.990 -7.335 1.00 0.00 C ATOM 313 CG ASP A 21 -7.150 -13.911 -8.202 1.00 0.00 C ATOM 314 OD1 ASP A 21 -7.581 -13.468 -9.254 1.00 0.00 O ATOM 315 OD2 ASP A 21 -7.360 -15.045 -7.802 1.00 0.00 O ATOM 0 H ASP A 21 -4.060 -12.756 -6.075 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.837 -13.456 -8.851 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.142 -13.434 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.800 -12.038 -7.182 1.00 0.00 H new ATOM 320 N ARG A 22 -5.231 -10.373 -7.720 1.00 0.00 N ATOM 321 CA ARG A 22 -5.187 -8.951 -8.163 1.00 0.00 C ATOM 322 C ARG A 22 -5.636 -8.039 -7.015 1.00 0.00 C ATOM 323 O ARG A 22 -6.196 -6.982 -7.237 1.00 0.00 O ATOM 324 CB ARG A 22 -6.130 -8.762 -9.354 1.00 0.00 C ATOM 325 CG ARG A 22 -7.392 -9.602 -9.143 1.00 0.00 C ATOM 326 CD ARG A 22 -8.241 -9.578 -10.416 1.00 0.00 C ATOM 327 NE ARG A 22 -9.419 -10.477 -10.247 1.00 0.00 N ATOM 328 CZ ARG A 22 -10.024 -10.966 -11.299 1.00 0.00 C ATOM 329 NH1 ARG A 22 -9.734 -10.515 -12.489 1.00 0.00 N ATOM 330 NH2 ARG A 22 -10.919 -11.907 -11.157 1.00 0.00 N ATOM 0 H ARG A 22 -5.556 -10.520 -6.764 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.168 -8.695 -8.454 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.394 -7.710 -9.459 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.632 -9.060 -10.277 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.121 -10.628 -8.893 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.966 -9.210 -8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.573 -8.561 -10.625 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.644 -9.900 -11.270 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.753 -10.710 -9.312 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.035 -9.780 -12.600 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.206 -10.897 -13.308 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.145 -12.259 -10.227 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.392 -12.289 -11.976 1.00 0.00 H new ATOM 344 N GLN A 23 -5.400 -8.439 -5.791 1.00 0.00 N ATOM 345 CA GLN A 23 -5.821 -7.595 -4.635 1.00 0.00 C ATOM 346 C GLN A 23 -4.681 -7.507 -3.614 1.00 0.00 C ATOM 347 O GLN A 23 -4.051 -8.494 -3.290 1.00 0.00 O ATOM 348 CB GLN A 23 -7.048 -8.225 -3.971 1.00 0.00 C ATOM 349 CG GLN A 23 -6.709 -9.645 -3.513 1.00 0.00 C ATOM 350 CD GLN A 23 -7.985 -10.488 -3.467 1.00 0.00 C ATOM 351 OE1 GLN A 23 -8.439 -10.978 -4.482 1.00 0.00 O ATOM 352 NE2 GLN A 23 -8.586 -10.680 -2.324 1.00 0.00 N ATOM 0 H GLN A 23 -4.935 -9.312 -5.544 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.065 -6.593 -4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.363 -7.622 -3.119 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.883 -8.247 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.988 -10.095 -4.195 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.243 -9.619 -2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.205 -10.269 -1.472 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.437 -11.241 -2.283 1.00 0.00 H new ATOM 361 N LEU A 24 -4.410 -6.332 -3.106 1.00 0.00 N ATOM 362 CA LEU A 24 -3.312 -6.186 -2.110 1.00 0.00 C ATOM 363 C LEU A 24 -3.822 -5.444 -0.875 1.00 0.00 C ATOM 364 O LEU A 24 -4.868 -4.824 -0.892 1.00 0.00 O ATOM 365 CB LEU A 24 -2.175 -5.367 -2.720 1.00 0.00 C ATOM 366 CG LEU A 24 -1.278 -6.269 -3.568 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.184 -5.420 -4.216 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.634 -7.335 -2.678 1.00 0.00 C ATOM 0 H LEU A 24 -4.902 -5.470 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.960 -7.179 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.583 -4.564 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.589 -4.897 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.874 -6.756 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.460 -6.057 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.641 -4.659 -4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.410 -4.938 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.005 -7.977 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.035 -6.851 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.413 -7.937 -2.209 1.00 0.00 H new ATOM 380 N THR A 25 -3.070 -5.483 0.188 1.00 0.00 N ATOM 381 CA THR A 25 -3.476 -4.761 1.423 1.00 0.00 C ATOM 382 C THR A 25 -2.651 -3.477 1.514 1.00 0.00 C ATOM 383 O THR A 25 -1.668 -3.318 0.818 1.00 0.00 O ATOM 384 CB THR A 25 -3.197 -5.634 2.650 1.00 0.00 C ATOM 385 OG1 THR A 25 -1.794 -5.702 2.869 1.00 0.00 O ATOM 386 CG2 THR A 25 -3.745 -7.042 2.416 1.00 0.00 C ATOM 0 H THR A 25 -2.186 -5.987 0.254 1.00 0.00 H new ATOM 0 HA THR A 25 -4.541 -4.530 1.391 1.00 0.00 H new ATOM 0 HB THR A 25 -3.684 -5.199 3.523 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.612 -6.259 3.655 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.545 -7.660 3.291 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.821 -6.990 2.247 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.261 -7.480 1.543 1.00 0.00 H new ATOM 394 N LEU A 26 -3.027 -2.559 2.357 1.00 0.00 N ATOM 395 CA LEU A 26 -2.229 -1.303 2.458 1.00 0.00 C ATOM 396 C LEU A 26 -0.759 -1.674 2.638 1.00 0.00 C ATOM 397 O LEU A 26 0.116 -1.115 2.009 1.00 0.00 O ATOM 398 CB LEU A 26 -2.688 -0.462 3.653 1.00 0.00 C ATOM 399 CG LEU A 26 -3.467 0.751 3.147 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.823 0.812 3.847 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.678 2.026 3.452 1.00 0.00 C ATOM 0 H LEU A 26 -3.838 -2.619 2.972 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.369 -0.717 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.314 -1.061 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.826 -0.138 4.237 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.617 0.665 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.380 1.677 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.385 -0.097 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.673 0.899 4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.233 2.892 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.529 2.113 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.709 1.982 2.954 1.00 0.00 H new ATOM 413 N SER A 27 -0.481 -2.624 3.488 1.00 0.00 N ATOM 414 CA SER A 27 0.931 -3.039 3.704 1.00 0.00 C ATOM 415 C SER A 27 1.287 -4.146 2.709 1.00 0.00 C ATOM 416 O SER A 27 2.273 -4.839 2.862 1.00 0.00 O ATOM 417 CB SER A 27 1.098 -3.560 5.131 1.00 0.00 C ATOM 418 OG SER A 27 2.421 -3.294 5.576 1.00 0.00 O ATOM 0 H SER A 27 -1.172 -3.130 4.042 1.00 0.00 H new ATOM 0 HA SER A 27 1.591 -2.185 3.554 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.376 -3.081 5.792 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.899 -4.631 5.165 1.00 0.00 H new ATOM 0 HG SER A 27 2.531 -3.626 6.492 1.00 0.00 H new ATOM 424 N GLY A 28 0.504 -4.299 1.675 1.00 0.00 N ATOM 425 CA GLY A 28 0.808 -5.336 0.653 1.00 0.00 C ATOM 426 C GLY A 28 1.453 -4.621 -0.519 1.00 0.00 C ATOM 427 O GLY A 28 2.498 -4.996 -1.013 1.00 0.00 O ATOM 0 H GLY A 28 -0.335 -3.748 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.477 -6.094 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.102 -5.849 0.340 1.00 0.00 H new ATOM 431 N ILE A 29 0.828 -3.562 -0.939 1.00 0.00 N ATOM 432 CA ILE A 29 1.362 -2.754 -2.050 1.00 0.00 C ATOM 433 C ILE A 29 2.789 -2.348 -1.700 1.00 0.00 C ATOM 434 O ILE A 29 3.625 -2.134 -2.555 1.00 0.00 O ATOM 435 CB ILE A 29 0.471 -1.524 -2.193 1.00 0.00 C ATOM 436 CG1 ILE A 29 0.735 -0.849 -3.533 1.00 0.00 C ATOM 437 CG2 ILE A 29 0.745 -0.540 -1.055 1.00 0.00 C ATOM 438 CD1 ILE A 29 2.147 -0.277 -3.530 1.00 0.00 C ATOM 0 H ILE A 29 -0.049 -3.220 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 29 1.373 -3.307 -2.989 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.572 -1.836 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.621 -1.567 -4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.008 -0.056 -3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.103 0.334 -1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.538 -1.022 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.789 -0.230 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.345 0.208 -4.486 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.242 0.453 -2.726 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.865 -1.082 -3.376 1.00 0.00 H new ATOM 450 N TYR A 30 3.065 -2.260 -0.434 1.00 0.00 N ATOM 451 CA TYR A 30 4.435 -1.885 0.017 1.00 0.00 C ATOM 452 C TYR A 30 5.333 -3.122 0.016 1.00 0.00 C ATOM 453 O TYR A 30 6.415 -3.115 -0.536 1.00 0.00 O ATOM 454 CB TYR A 30 4.363 -1.313 1.434 1.00 0.00 C ATOM 455 CG TYR A 30 3.289 -0.261 1.482 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.046 0.522 0.354 1.00 0.00 C ATOM 457 CD2 TYR A 30 2.534 -0.067 2.643 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.053 1.498 0.380 1.00 0.00 C ATOM 459 CE2 TYR A 30 1.535 0.913 2.670 1.00 0.00 C ATOM 460 CZ TYR A 30 1.294 1.697 1.536 1.00 0.00 C ATOM 461 OH TYR A 30 0.311 2.665 1.559 1.00 0.00 O ATOM 0 H TYR A 30 2.397 -2.433 0.317 1.00 0.00 H new ATOM 0 HA TYR A 30 4.847 -1.138 -0.661 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.146 -2.106 2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.324 -0.883 1.716 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.629 0.371 -0.542 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.721 -0.672 3.517 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.869 2.103 -0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.950 1.064 3.565 1.00 0.00 H new ATOM 0 HH TYR A 30 0.726 3.553 1.553 1.00 0.00 H new ATOM 471 N ALA A 31 4.894 -4.182 0.635 1.00 0.00 N ATOM 472 CA ALA A 31 5.726 -5.415 0.676 1.00 0.00 C ATOM 473 C ALA A 31 5.807 -6.034 -0.722 1.00 0.00 C ATOM 474 O ALA A 31 6.683 -6.827 -1.006 1.00 0.00 O ATOM 475 CB ALA A 31 5.098 -6.421 1.645 1.00 0.00 C ATOM 0 H ALA A 31 3.996 -4.247 1.114 1.00 0.00 H new ATOM 0 HA ALA A 31 6.731 -5.160 1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.706 -7.325 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.048 -5.983 2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.092 -6.672 1.308 1.00 0.00 H new ATOM 481 N HIS A 32 4.902 -5.685 -1.598 1.00 0.00 N ATOM 482 CA HIS A 32 4.941 -6.263 -2.969 1.00 0.00 C ATOM 483 C HIS A 32 6.027 -5.577 -3.797 1.00 0.00 C ATOM 484 O HIS A 32 6.942 -6.205 -4.292 1.00 0.00 O ATOM 485 CB HIS A 32 3.593 -6.049 -3.652 1.00 0.00 C ATOM 486 CG HIS A 32 3.675 -6.589 -5.050 1.00 0.00 C ATOM 487 ND1 HIS A 32 2.869 -7.625 -5.495 1.00 0.00 N ATOM 488 CD2 HIS A 32 4.481 -6.257 -6.108 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.208 -7.879 -6.773 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.186 -7.072 -7.196 1.00 0.00 N ATOM 0 H HIS A 32 4.142 -5.028 -1.423 1.00 0.00 H new ATOM 0 HA HIS A 32 5.158 -7.329 -2.895 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.803 -6.554 -3.097 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.342 -4.988 -3.670 1.00 0.00 H new ATOM 0 HD1 HIS A 32 2.151 -8.107 -4.954 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.231 -5.480 -6.098 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.746 -8.642 -7.382 1.00 0.00 H new ATOM 498 N ILE A 33 5.919 -4.288 -3.960 1.00 0.00 N ATOM 499 CA ILE A 33 6.925 -3.540 -4.768 1.00 0.00 C ATOM 500 C ILE A 33 8.334 -3.832 -4.250 1.00 0.00 C ATOM 501 O ILE A 33 9.280 -3.934 -5.006 1.00 0.00 O ATOM 502 CB ILE A 33 6.628 -2.041 -4.650 1.00 0.00 C ATOM 503 CG1 ILE A 33 7.261 -1.296 -5.826 1.00 0.00 C ATOM 504 CG2 ILE A 33 7.194 -1.495 -3.337 1.00 0.00 C ATOM 505 CD1 ILE A 33 7.087 0.212 -5.626 1.00 0.00 C ATOM 0 H ILE A 33 5.172 -3.716 -3.566 1.00 0.00 H new ATOM 0 HA ILE A 33 6.867 -3.851 -5.811 1.00 0.00 H new ATOM 0 HB ILE A 33 5.548 -1.893 -4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.320 -1.544 -5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.794 -1.606 -6.761 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.978 -0.429 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.735 -2.018 -2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.273 -1.649 -3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.538 0.745 -6.463 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.025 0.452 -5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.574 0.515 -4.699 1.00 0.00 H new ATOM 517 N THR A 34 8.479 -3.962 -2.964 1.00 0.00 N ATOM 518 CA THR A 34 9.826 -4.240 -2.391 1.00 0.00 C ATOM 519 C THR A 34 10.384 -5.532 -2.990 1.00 0.00 C ATOM 520 O THR A 34 11.565 -5.807 -2.903 1.00 0.00 O ATOM 521 CB THR A 34 9.711 -4.389 -0.871 1.00 0.00 C ATOM 522 OG1 THR A 34 8.985 -5.572 -0.567 1.00 0.00 O ATOM 523 CG2 THR A 34 8.984 -3.176 -0.291 1.00 0.00 C ATOM 0 H THR A 34 7.724 -3.888 -2.282 1.00 0.00 H new ATOM 0 HA THR A 34 10.497 -3.414 -2.627 1.00 0.00 H new ATOM 0 HB THR A 34 10.708 -4.453 -0.435 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.313 -5.731 -1.262 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.903 -3.283 0.791 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.544 -2.270 -0.525 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.986 -3.108 -0.725 1.00 0.00 H new ATOM 531 N LYS A 35 9.548 -6.329 -3.599 1.00 0.00 N ATOM 532 CA LYS A 35 10.040 -7.600 -4.204 1.00 0.00 C ATOM 533 C LYS A 35 10.581 -7.323 -5.609 1.00 0.00 C ATOM 534 O LYS A 35 11.448 -8.019 -6.098 1.00 0.00 O ATOM 535 CB LYS A 35 8.890 -8.606 -4.284 1.00 0.00 C ATOM 536 CG LYS A 35 9.019 -9.624 -3.147 1.00 0.00 C ATOM 537 CD LYS A 35 8.755 -11.032 -3.686 1.00 0.00 C ATOM 538 CE LYS A 35 8.429 -11.974 -2.525 1.00 0.00 C ATOM 539 NZ LYS A 35 9.379 -11.730 -1.403 1.00 0.00 N ATOM 0 H LYS A 35 8.548 -6.156 -3.704 1.00 0.00 H new ATOM 0 HA LYS A 35 10.838 -8.012 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.934 -8.087 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.906 -9.117 -5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.016 -9.572 -2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.310 -9.389 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.927 -11.012 -4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.629 -11.395 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.405 -11.813 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.497 -13.011 -2.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.405 -12.564 -0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.330 -11.553 -1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.066 -10.902 -0.857 1.00 0.00 H new ATOM 553 N HIS A 36 10.080 -6.309 -6.262 1.00 0.00 N ATOM 554 CA HIS A 36 10.572 -5.990 -7.634 1.00 0.00 C ATOM 555 C HIS A 36 11.503 -4.777 -7.571 1.00 0.00 C ATOM 556 O HIS A 36 12.698 -4.892 -7.752 1.00 0.00 O ATOM 557 CB HIS A 36 9.383 -5.679 -8.544 1.00 0.00 C ATOM 558 CG HIS A 36 8.622 -6.946 -8.823 1.00 0.00 C ATOM 559 ND1 HIS A 36 9.169 -7.992 -9.550 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.357 -7.351 -8.478 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.244 -8.967 -9.616 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.120 -8.628 -8.980 1.00 0.00 N ATOM 0 H HIS A 36 9.353 -5.689 -5.906 1.00 0.00 H new ATOM 0 HA HIS A 36 11.117 -6.845 -8.034 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.730 -4.947 -8.070 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.731 -5.238 -9.478 1.00 0.00 H new ATOM 0 HD1 HIS A 36 10.103 -8.018 -9.960 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.652 -6.768 -7.904 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.393 -9.909 -10.122 1.00 0.00 H new ATOM 570 N TYR A 37 10.968 -3.615 -7.307 1.00 0.00 N ATOM 571 CA TYR A 37 11.830 -2.402 -7.225 1.00 0.00 C ATOM 572 C TYR A 37 12.502 -2.369 -5.844 1.00 0.00 C ATOM 573 O TYR A 37 11.827 -2.302 -4.836 1.00 0.00 O ATOM 574 CB TYR A 37 10.966 -1.152 -7.422 1.00 0.00 C ATOM 575 CG TYR A 37 10.213 -1.273 -8.723 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.880 -1.700 -9.877 1.00 0.00 C ATOM 577 CD2 TYR A 37 8.847 -0.968 -8.776 1.00 0.00 C ATOM 578 CE1 TYR A 37 10.184 -1.823 -11.084 1.00 0.00 C ATOM 579 CE2 TYR A 37 8.150 -1.089 -9.985 1.00 0.00 C ATOM 580 CZ TYR A 37 8.819 -1.517 -11.139 1.00 0.00 C ATOM 581 OH TYR A 37 8.133 -1.637 -12.331 1.00 0.00 O ATOM 0 H TYR A 37 9.974 -3.454 -7.145 1.00 0.00 H new ATOM 0 HA TYR A 37 12.595 -2.427 -8.001 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.268 -1.043 -6.592 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.592 -0.260 -7.431 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.933 -1.935 -9.835 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.332 -0.640 -7.885 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.700 -2.154 -11.973 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.097 -0.852 -10.027 1.00 0.00 H new ATOM 0 HH TYR A 37 8.164 -0.785 -12.814 1.00 0.00 H new ATOM 591 N PRO A 38 13.812 -2.443 -5.835 1.00 0.00 N ATOM 592 CA PRO A 38 14.599 -2.450 -4.585 1.00 0.00 C ATOM 593 C PRO A 38 14.702 -1.047 -3.979 1.00 0.00 C ATOM 594 O PRO A 38 15.090 -0.885 -2.840 1.00 0.00 O ATOM 595 CB PRO A 38 15.975 -2.953 -5.028 1.00 0.00 C ATOM 596 CG PRO A 38 16.076 -2.666 -6.545 1.00 0.00 C ATOM 597 CD PRO A 38 14.632 -2.521 -7.061 1.00 0.00 C ATOM 0 HA PRO A 38 14.146 -3.069 -3.811 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.769 -2.443 -4.482 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.083 -4.019 -4.826 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.647 -1.756 -6.730 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.592 -3.477 -7.059 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.517 -1.627 -7.674 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.343 -3.371 -7.679 1.00 0.00 H new ATOM 605 N TYR A 39 14.366 -0.030 -4.722 1.00 0.00 N ATOM 606 CA TYR A 39 14.457 1.348 -4.162 1.00 0.00 C ATOM 607 C TYR A 39 13.246 1.617 -3.269 1.00 0.00 C ATOM 608 O TYR A 39 13.314 2.386 -2.332 1.00 0.00 O ATOM 609 CB TYR A 39 14.489 2.371 -5.299 1.00 0.00 C ATOM 610 CG TYR A 39 14.757 3.742 -4.725 1.00 0.00 C ATOM 611 CD1 TYR A 39 13.694 4.520 -4.249 1.00 0.00 C ATOM 612 CD2 TYR A 39 16.067 4.235 -4.663 1.00 0.00 C ATOM 613 CE1 TYR A 39 13.940 5.789 -3.714 1.00 0.00 C ATOM 614 CE2 TYR A 39 16.312 5.504 -4.127 1.00 0.00 C ATOM 615 CZ TYR A 39 15.249 6.282 -3.652 1.00 0.00 C ATOM 616 OH TYR A 39 15.491 7.534 -3.124 1.00 0.00 O ATOM 0 H TYR A 39 14.035 -0.091 -5.685 1.00 0.00 H new ATOM 0 HA TYR A 39 15.371 1.436 -3.575 1.00 0.00 H new ATOM 0 HB2 TYR A 39 15.263 2.108 -6.020 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.540 2.367 -5.835 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.684 4.140 -4.295 1.00 0.00 H new ATOM 0 HD2 TYR A 39 16.888 3.636 -5.029 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.120 6.389 -3.349 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.322 5.884 -4.080 1.00 0.00 H new ATOM 0 HH TYR A 39 16.452 7.722 -3.155 1.00 0.00 H new ATOM 626 N TYR A 40 12.139 0.989 -3.550 1.00 0.00 N ATOM 627 CA TYR A 40 10.926 1.212 -2.715 1.00 0.00 C ATOM 628 C TYR A 40 10.905 0.199 -1.568 1.00 0.00 C ATOM 629 O TYR A 40 10.294 -0.846 -1.661 1.00 0.00 O ATOM 630 CB TYR A 40 9.673 1.045 -3.575 1.00 0.00 C ATOM 631 CG TYR A 40 9.343 2.364 -4.228 1.00 0.00 C ATOM 632 CD1 TYR A 40 10.285 2.990 -5.054 1.00 0.00 C ATOM 633 CD2 TYR A 40 8.099 2.968 -4.003 1.00 0.00 C ATOM 634 CE1 TYR A 40 9.985 4.217 -5.653 1.00 0.00 C ATOM 635 CE2 TYR A 40 7.800 4.196 -4.604 1.00 0.00 C ATOM 636 CZ TYR A 40 8.743 4.821 -5.429 1.00 0.00 C ATOM 637 OH TYR A 40 8.446 6.031 -6.017 1.00 0.00 O ATOM 0 H TYR A 40 12.021 0.332 -4.321 1.00 0.00 H new ATOM 0 HA TYR A 40 10.947 2.222 -2.305 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.837 0.280 -4.334 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.837 0.710 -2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.244 2.524 -5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.372 2.486 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.713 4.699 -6.289 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.841 4.662 -4.431 1.00 0.00 H new ATOM 0 HH TYR A 40 7.856 6.545 -5.427 1.00 0.00 H new ATOM 647 N ARG A 41 11.572 0.503 -0.488 1.00 0.00 N ATOM 648 CA ARG A 41 11.595 -0.439 0.666 1.00 0.00 C ATOM 649 C ARG A 41 11.798 0.349 1.962 1.00 0.00 C ATOM 650 O ARG A 41 10.932 0.398 2.813 1.00 0.00 O ATOM 651 CB ARG A 41 12.744 -1.434 0.489 1.00 0.00 C ATOM 652 CG ARG A 41 12.421 -2.725 1.243 1.00 0.00 C ATOM 653 CD ARG A 41 13.709 -3.314 1.822 1.00 0.00 C ATOM 654 NE ARG A 41 13.370 -4.273 2.910 1.00 0.00 N ATOM 655 CZ ARG A 41 13.648 -5.540 2.773 1.00 0.00 C ATOM 656 NH1 ARG A 41 13.323 -6.165 1.673 1.00 0.00 N ATOM 657 NH2 ARG A 41 14.250 -6.185 3.735 1.00 0.00 N ATOM 0 H ARG A 41 12.102 1.364 -0.355 1.00 0.00 H new ATOM 0 HA ARG A 41 10.650 -0.980 0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.895 -1.646 -0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.673 -1.004 0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 41 11.709 -2.523 2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 41 11.950 -3.443 0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.274 -3.820 1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.344 -2.517 2.209 1.00 0.00 H new ATOM 0 HE ARG A 41 12.920 -3.939 3.762 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.852 -5.662 0.921 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.541 -7.156 1.566 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.503 -5.698 4.595 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.467 -7.176 3.627 1.00 0.00 H new ATOM 671 N THR A 42 12.938 0.966 2.119 1.00 0.00 N ATOM 672 CA THR A 42 13.199 1.751 3.359 1.00 0.00 C ATOM 673 C THR A 42 14.018 2.996 3.011 1.00 0.00 C ATOM 674 O THR A 42 14.918 3.379 3.732 1.00 0.00 O ATOM 675 CB THR A 42 13.981 0.892 4.354 1.00 0.00 C ATOM 676 OG1 THR A 42 13.996 1.532 5.621 1.00 0.00 O ATOM 677 CG2 THR A 42 15.416 0.709 3.856 1.00 0.00 C ATOM 0 H THR A 42 13.700 0.960 1.441 1.00 0.00 H new ATOM 0 HA THR A 42 12.250 2.050 3.804 1.00 0.00 H new ATOM 0 HB THR A 42 13.503 -0.083 4.445 1.00 0.00 H new ATOM 0 HG1 THR A 42 14.338 2.445 5.522 1.00 0.00 H new ATOM 0 HG21 THR A 42 15.972 0.097 4.566 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.404 0.216 2.884 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.896 1.683 3.763 1.00 0.00 H new ATOM 685 N ALA A 43 13.715 3.631 1.912 1.00 0.00 N ATOM 686 CA ALA A 43 14.479 4.849 1.521 1.00 0.00 C ATOM 687 C ALA A 43 13.871 6.076 2.205 1.00 0.00 C ATOM 688 O ALA A 43 14.526 6.764 2.963 1.00 0.00 O ATOM 689 CB ALA A 43 14.414 5.027 0.003 1.00 0.00 C ATOM 0 H ALA A 43 12.972 3.359 1.268 1.00 0.00 H new ATOM 0 HA ALA A 43 15.519 4.739 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.973 5.918 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.848 4.154 -0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.375 5.136 -0.306 1.00 0.00 H new ATOM 695 N ASP A 44 12.624 6.357 1.943 1.00 0.00 N ATOM 696 CA ASP A 44 11.978 7.540 2.580 1.00 0.00 C ATOM 697 C ASP A 44 10.492 7.254 2.806 1.00 0.00 C ATOM 698 O ASP A 44 9.904 6.417 2.151 1.00 0.00 O ATOM 699 CB ASP A 44 12.129 8.760 1.666 1.00 0.00 C ATOM 700 CG ASP A 44 13.459 8.678 0.917 1.00 0.00 C ATOM 701 OD1 ASP A 44 13.502 8.008 -0.101 1.00 0.00 O ATOM 702 OD2 ASP A 44 14.413 9.284 1.376 1.00 0.00 O ATOM 0 H ASP A 44 12.025 5.820 1.316 1.00 0.00 H new ATOM 0 HA ASP A 44 12.458 7.741 3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.302 8.800 0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.088 9.676 2.255 1.00 0.00 H new ATOM 707 N LYS A 45 9.882 7.943 3.730 1.00 0.00 N ATOM 708 CA LYS A 45 8.434 7.713 4.002 1.00 0.00 C ATOM 709 C LYS A 45 7.593 8.603 3.083 1.00 0.00 C ATOM 710 O LYS A 45 6.837 9.440 3.536 1.00 0.00 O ATOM 711 CB LYS A 45 8.131 8.058 5.461 1.00 0.00 C ATOM 712 CG LYS A 45 8.300 6.810 6.329 1.00 0.00 C ATOM 713 CD LYS A 45 7.485 6.968 7.613 1.00 0.00 C ATOM 714 CE LYS A 45 6.031 6.574 7.347 1.00 0.00 C ATOM 715 NZ LYS A 45 5.146 7.745 7.600 1.00 0.00 N ATOM 0 H LYS A 45 10.324 8.657 4.310 1.00 0.00 H new ATOM 0 HA LYS A 45 8.191 6.667 3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.800 8.846 5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.115 8.441 5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.970 5.927 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.353 6.661 6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.904 6.343 8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.535 7.999 7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.917 6.234 6.318 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.745 5.742 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.157 7.478 7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.247 8.049 8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.415 8.526 6.968 1.00 0.00 H new ATOM 729 N GLY A 46 7.716 8.429 1.795 1.00 0.00 N ATOM 730 CA GLY A 46 6.922 9.266 0.851 1.00 0.00 C ATOM 731 C GLY A 46 5.797 8.424 0.244 1.00 0.00 C ATOM 732 O GLY A 46 4.632 8.638 0.516 1.00 0.00 O ATOM 0 H GLY A 46 8.331 7.744 1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.505 10.127 1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.566 9.654 0.062 1.00 0.00 H new ATOM 736 N TRP A 47 6.136 7.475 -0.587 1.00 0.00 N ATOM 737 CA TRP A 47 5.086 6.629 -1.223 1.00 0.00 C ATOM 738 C TRP A 47 4.256 5.916 -0.153 1.00 0.00 C ATOM 739 O TRP A 47 3.199 5.388 -0.434 1.00 0.00 O ATOM 740 CB TRP A 47 5.741 5.588 -2.137 1.00 0.00 C ATOM 741 CG TRP A 47 6.533 4.600 -1.335 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.570 4.901 -0.515 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.381 3.151 -1.282 1.00 0.00 C ATOM 744 NE1 TRP A 47 8.059 3.732 0.036 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.361 2.628 -0.405 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.496 2.246 -1.901 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.465 1.261 -0.153 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.599 0.870 -1.649 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.582 0.378 -0.777 1.00 0.00 C ATOM 0 H TRP A 47 7.095 7.249 -0.853 1.00 0.00 H new ATOM 0 HA TRP A 47 4.431 7.271 -1.811 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.974 5.067 -2.710 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.392 6.086 -2.855 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.952 5.893 -0.324 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.841 3.691 0.689 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.735 2.614 -2.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.223 0.888 0.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.917 0.184 -2.130 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.655 -0.683 -0.589 1.00 0.00 H new ATOM 760 N GLN A 48 4.711 5.899 1.068 1.00 0.00 N ATOM 761 CA GLN A 48 3.922 5.221 2.134 1.00 0.00 C ATOM 762 C GLN A 48 2.502 5.791 2.139 1.00 0.00 C ATOM 763 O GLN A 48 1.549 5.113 1.812 1.00 0.00 O ATOM 764 CB GLN A 48 4.582 5.463 3.494 1.00 0.00 C ATOM 765 CG GLN A 48 4.311 4.271 4.417 1.00 0.00 C ATOM 766 CD GLN A 48 4.766 2.976 3.739 1.00 0.00 C ATOM 767 OE1 GLN A 48 4.357 1.899 4.127 1.00 0.00 O ATOM 768 NE2 GLN A 48 5.601 3.033 2.737 1.00 0.00 N ATOM 0 H GLN A 48 5.588 6.321 1.373 1.00 0.00 H new ATOM 0 HA GLN A 48 3.886 4.149 1.943 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.656 5.602 3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.192 6.378 3.941 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.839 4.403 5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.248 4.215 4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.945 3.936 2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.909 2.174 2.281 1.00 0.00 H new ATOM 777 N ASN A 49 2.354 7.037 2.501 1.00 0.00 N ATOM 778 CA ASN A 49 0.997 7.655 2.517 1.00 0.00 C ATOM 779 C ASN A 49 0.522 7.884 1.079 1.00 0.00 C ATOM 780 O ASN A 49 -0.660 7.948 0.807 1.00 0.00 O ATOM 781 CB ASN A 49 1.055 8.995 3.253 1.00 0.00 C ATOM 782 CG ASN A 49 0.304 8.881 4.581 1.00 0.00 C ATOM 783 OD1 ASN A 49 -0.065 7.798 4.992 1.00 0.00 O ATOM 784 ND2 ASN A 49 0.057 9.960 5.272 1.00 0.00 N ATOM 0 H ASN A 49 3.115 7.654 2.786 1.00 0.00 H new ATOM 0 HA ASN A 49 0.302 6.989 3.028 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.092 9.279 3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.612 9.779 2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.446 9.895 6.157 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.367 10.869 4.927 1.00 0.00 H new ATOM 791 N SER A 50 1.437 8.012 0.156 1.00 0.00 N ATOM 792 CA SER A 50 1.042 8.243 -1.264 1.00 0.00 C ATOM 793 C SER A 50 0.138 7.103 -1.738 1.00 0.00 C ATOM 794 O SER A 50 -1.003 7.311 -2.101 1.00 0.00 O ATOM 795 CB SER A 50 2.296 8.296 -2.137 1.00 0.00 C ATOM 796 OG SER A 50 2.005 9.009 -3.332 1.00 0.00 O ATOM 0 H SER A 50 2.442 7.967 0.324 1.00 0.00 H new ATOM 0 HA SER A 50 0.503 9.187 -1.342 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.109 8.783 -1.598 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.631 7.286 -2.374 1.00 0.00 H new ATOM 0 HG SER A 50 2.631 8.738 -4.035 1.00 0.00 H new ATOM 802 N ILE A 51 0.641 5.901 -1.738 1.00 0.00 N ATOM 803 CA ILE A 51 -0.182 4.743 -2.188 1.00 0.00 C ATOM 804 C ILE A 51 -1.580 4.848 -1.570 1.00 0.00 C ATOM 805 O ILE A 51 -2.575 4.873 -2.266 1.00 0.00 O ATOM 806 CB ILE A 51 0.499 3.443 -1.730 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.648 3.039 -2.680 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.516 2.297 -1.697 1.00 0.00 C ATOM 809 CD1 ILE A 51 2.090 4.205 -3.570 1.00 0.00 C ATOM 0 H ILE A 51 1.590 5.669 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.272 4.743 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 51 0.903 3.627 -0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.497 2.688 -2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.326 2.206 -3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.021 1.382 -1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.319 2.542 -1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.931 2.150 -2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.900 3.878 -4.223 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.248 4.540 -4.176 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.437 5.028 -2.945 1.00 0.00 H new ATOM 821 N ARG A 52 -1.665 4.907 -0.269 1.00 0.00 N ATOM 822 CA ARG A 52 -3.002 5.007 0.381 1.00 0.00 C ATOM 823 C ARG A 52 -3.801 6.127 -0.286 1.00 0.00 C ATOM 824 O ARG A 52 -4.969 5.978 -0.584 1.00 0.00 O ATOM 825 CB ARG A 52 -2.827 5.320 1.869 1.00 0.00 C ATOM 826 CG ARG A 52 -4.130 5.011 2.612 1.00 0.00 C ATOM 827 CD ARG A 52 -5.030 6.248 2.599 1.00 0.00 C ATOM 828 NE ARG A 52 -5.404 6.607 3.997 1.00 0.00 N ATOM 829 CZ ARG A 52 -6.543 7.198 4.235 1.00 0.00 C ATOM 830 NH1 ARG A 52 -6.962 8.155 3.452 1.00 0.00 N ATOM 831 NH2 ARG A 52 -7.266 6.831 5.259 1.00 0.00 N ATOM 0 H ARG A 52 -0.870 4.890 0.370 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.534 4.062 0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.011 4.728 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.560 6.368 2.002 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.640 4.172 2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.914 4.716 3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.513 7.082 2.124 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.926 6.052 2.011 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.770 6.391 4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.399 8.443 2.652 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.853 8.615 3.641 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.940 6.083 5.872 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.156 7.292 5.446 1.00 0.00 H new ATOM 845 N HIS A 53 -3.178 7.246 -0.528 1.00 0.00 N ATOM 846 CA HIS A 53 -3.898 8.373 -1.183 1.00 0.00 C ATOM 847 C HIS A 53 -4.080 8.057 -2.668 1.00 0.00 C ATOM 848 O HIS A 53 -5.051 8.449 -3.284 1.00 0.00 O ATOM 849 CB HIS A 53 -3.081 9.658 -1.029 1.00 0.00 C ATOM 850 CG HIS A 53 -3.983 10.849 -1.208 1.00 0.00 C ATOM 851 ND1 HIS A 53 -3.494 12.103 -1.540 1.00 0.00 N ATOM 852 CD2 HIS A 53 -5.344 10.992 -1.105 1.00 0.00 C ATOM 853 CE1 HIS A 53 -4.546 12.938 -1.622 1.00 0.00 C ATOM 854 NE2 HIS A 53 -5.697 12.312 -1.366 1.00 0.00 N ATOM 0 H HIS A 53 -2.201 7.429 -0.300 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.873 8.507 -0.715 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.612 9.688 -0.046 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.278 9.682 -1.766 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.036 10.200 -0.859 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.469 13.987 -1.865 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.634 12.715 -1.363 1.00 0.00 H new ATOM 862 N ASN A 54 -3.150 7.349 -3.248 1.00 0.00 N ATOM 863 CA ASN A 54 -3.262 7.003 -4.693 1.00 0.00 C ATOM 864 C ASN A 54 -4.385 5.984 -4.894 1.00 0.00 C ATOM 865 O ASN A 54 -5.206 6.115 -5.781 1.00 0.00 O ATOM 866 CB ASN A 54 -1.942 6.397 -5.175 1.00 0.00 C ATOM 867 CG ASN A 54 -0.843 7.461 -5.129 1.00 0.00 C ATOM 868 OD1 ASN A 54 -0.976 8.514 -5.719 1.00 0.00 O ATOM 869 ND2 ASN A 54 0.245 7.226 -4.447 1.00 0.00 N ATOM 0 H ASN A 54 -2.315 6.994 -2.782 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.483 7.906 -5.262 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.668 5.549 -4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.053 6.018 -6.191 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.985 7.927 -4.409 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.355 6.341 -3.952 1.00 0.00 H new ATOM 876 N LEU A 55 -4.420 4.963 -4.085 1.00 0.00 N ATOM 877 CA LEU A 55 -5.480 3.927 -4.234 1.00 0.00 C ATOM 878 C LEU A 55 -6.863 4.580 -4.176 1.00 0.00 C ATOM 879 O LEU A 55 -7.843 4.018 -4.622 1.00 0.00 O ATOM 880 CB LEU A 55 -5.354 2.903 -3.103 1.00 0.00 C ATOM 881 CG LEU A 55 -3.968 2.257 -3.141 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.860 1.216 -2.024 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.763 1.573 -4.493 1.00 0.00 C ATOM 0 H LEU A 55 -3.759 4.801 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.360 3.430 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.512 3.389 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.124 2.139 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.206 3.023 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.873 0.755 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.008 1.701 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.622 0.450 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.776 1.112 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.525 0.807 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.842 2.312 -5.290 1.00 0.00 H new ATOM 895 N SER A 56 -6.957 5.759 -3.625 1.00 0.00 N ATOM 896 CA SER A 56 -8.283 6.432 -3.537 1.00 0.00 C ATOM 897 C SER A 56 -8.518 7.294 -4.781 1.00 0.00 C ATOM 898 O SER A 56 -9.498 7.136 -5.481 1.00 0.00 O ATOM 899 CB SER A 56 -8.326 7.315 -2.289 1.00 0.00 C ATOM 900 OG SER A 56 -9.659 7.369 -1.799 1.00 0.00 O ATOM 0 H SER A 56 -6.175 6.284 -3.233 1.00 0.00 H new ATOM 0 HA SER A 56 -9.064 5.674 -3.476 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.661 6.916 -1.524 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.973 8.318 -2.527 1.00 0.00 H new ATOM 0 HG SER A 56 -9.690 7.933 -0.998 1.00 0.00 H new ATOM 906 N LEU A 57 -7.634 8.215 -5.054 1.00 0.00 N ATOM 907 CA LEU A 57 -7.816 9.097 -6.242 1.00 0.00 C ATOM 908 C LEU A 57 -7.851 8.259 -7.525 1.00 0.00 C ATOM 909 O LEU A 57 -8.356 8.694 -8.542 1.00 0.00 O ATOM 910 CB LEU A 57 -6.661 10.097 -6.315 1.00 0.00 C ATOM 911 CG LEU A 57 -5.335 9.343 -6.401 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.025 9.028 -7.865 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.219 10.214 -5.818 1.00 0.00 C ATOM 0 H LEU A 57 -6.793 8.395 -4.505 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.760 9.633 -6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.781 10.743 -7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.668 10.741 -5.436 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.404 8.413 -5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.079 8.490 -7.929 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.822 8.412 -8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.953 9.957 -8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.271 9.679 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.148 11.142 -6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.442 10.442 -4.776 1.00 0.00 H new ATOM 925 N ASN A 58 -7.323 7.067 -7.495 1.00 0.00 N ATOM 926 CA ASN A 58 -7.337 6.222 -8.726 1.00 0.00 C ATOM 927 C ASN A 58 -8.724 5.604 -8.908 1.00 0.00 C ATOM 928 O ASN A 58 -9.390 5.255 -7.954 1.00 0.00 O ATOM 929 CB ASN A 58 -6.288 5.117 -8.608 1.00 0.00 C ATOM 930 CG ASN A 58 -4.931 5.660 -9.061 1.00 0.00 C ATOM 931 OD1 ASN A 58 -4.693 5.823 -10.240 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.027 5.953 -8.168 1.00 0.00 N ATOM 0 H ASN A 58 -6.885 6.642 -6.678 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.104 6.843 -9.591 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.227 4.766 -7.578 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.573 4.261 -9.220 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.121 6.319 -8.461 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.226 5.816 -7.177 1.00 0.00 H new ATOM 939 N ARG A 59 -9.174 5.485 -10.129 1.00 0.00 N ATOM 940 CA ARG A 59 -10.530 4.912 -10.370 1.00 0.00 C ATOM 941 C ARG A 59 -10.460 3.391 -10.566 1.00 0.00 C ATOM 942 O ARG A 59 -11.451 2.703 -10.415 1.00 0.00 O ATOM 943 CB ARG A 59 -11.143 5.561 -11.614 1.00 0.00 C ATOM 944 CG ARG A 59 -10.269 5.264 -12.833 1.00 0.00 C ATOM 945 CD ARG A 59 -11.108 5.388 -14.106 1.00 0.00 C ATOM 946 NE ARG A 59 -11.562 6.798 -14.270 1.00 0.00 N ATOM 947 CZ ARG A 59 -12.612 7.065 -14.999 1.00 0.00 C ATOM 948 NH1 ARG A 59 -12.759 6.497 -16.164 1.00 0.00 N ATOM 949 NH2 ARG A 59 -13.515 7.901 -14.563 1.00 0.00 N ATOM 0 H ARG A 59 -8.662 5.759 -10.968 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.151 5.117 -9.498 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.151 5.180 -11.776 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.229 6.638 -11.469 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.429 5.958 -12.869 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.850 4.261 -12.757 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.521 5.081 -14.972 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.969 4.722 -14.052 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.053 7.554 -13.813 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.054 5.844 -16.506 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.579 6.706 -16.733 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.401 8.346 -13.652 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.335 8.109 -15.133 1.00 0.00 H new ATOM 963 N TYR A 60 -9.319 2.846 -10.905 1.00 0.00 N ATOM 964 CA TYR A 60 -9.255 1.364 -11.104 1.00 0.00 C ATOM 965 C TYR A 60 -9.004 0.664 -9.770 1.00 0.00 C ATOM 966 O TYR A 60 -9.277 -0.510 -9.617 1.00 0.00 O ATOM 967 CB TYR A 60 -8.148 0.976 -12.093 1.00 0.00 C ATOM 968 CG TYR A 60 -7.029 1.990 -12.092 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.373 2.334 -10.902 1.00 0.00 C ATOM 970 CD2 TYR A 60 -6.642 2.581 -13.298 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.332 3.271 -10.929 1.00 0.00 C ATOM 972 CE2 TYR A 60 -5.605 3.514 -13.324 1.00 0.00 C ATOM 973 CZ TYR A 60 -4.949 3.862 -12.140 1.00 0.00 C ATOM 974 OH TYR A 60 -3.922 4.783 -12.166 1.00 0.00 O ATOM 0 H TYR A 60 -8.444 3.350 -11.051 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.213 1.047 -11.515 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.752 -0.005 -11.832 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.566 0.894 -13.096 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.669 1.879 -9.968 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.148 2.314 -14.214 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.824 3.538 -10.014 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.309 3.967 -14.259 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.029 5.413 -11.423 1.00 0.00 H new ATOM 984 N PHE A 61 -8.486 1.360 -8.799 1.00 0.00 N ATOM 985 CA PHE A 61 -8.227 0.706 -7.490 1.00 0.00 C ATOM 986 C PHE A 61 -9.475 0.801 -6.619 1.00 0.00 C ATOM 987 O PHE A 61 -9.978 1.871 -6.338 1.00 0.00 O ATOM 988 CB PHE A 61 -7.035 1.374 -6.815 1.00 0.00 C ATOM 989 CG PHE A 61 -5.801 1.011 -7.599 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.416 -0.331 -7.708 1.00 0.00 C ATOM 991 CD2 PHE A 61 -5.058 2.006 -8.238 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.284 -0.673 -8.452 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.929 1.663 -8.984 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.541 0.324 -9.092 1.00 0.00 C ATOM 0 H PHE A 61 -8.232 2.346 -8.855 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.991 -0.348 -7.639 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.167 2.456 -6.789 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.944 1.039 -5.782 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.993 -1.101 -7.218 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.357 3.041 -8.155 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.983 -1.707 -8.533 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.355 2.433 -9.478 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.668 0.060 -9.670 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.988 -0.323 -6.210 1.00 0.00 N ATOM 1005 CA ILE A 62 -11.223 -0.327 -5.378 1.00 0.00 C ATOM 1006 C ILE A 62 -10.883 -0.655 -3.922 1.00 0.00 C ATOM 1007 O ILE A 62 -9.787 -1.076 -3.606 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.193 -1.379 -5.922 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -11.593 -2.776 -5.734 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.435 -1.133 -7.413 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -12.709 -3.773 -5.415 1.00 0.00 C ATOM 0 H ILE A 62 -9.604 -1.245 -6.417 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.682 0.661 -5.419 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.137 -1.309 -5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.066 -3.081 -6.638 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.861 -2.763 -4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.126 -1.883 -7.798 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.862 -0.140 -7.553 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.489 -1.200 -7.951 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.282 -4.767 -5.281 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -13.217 -3.470 -4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.425 -3.793 -6.237 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.824 -0.470 -3.036 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.579 -0.773 -1.598 1.00 0.00 C ATOM 1025 C LYS A 63 -12.743 -1.607 -1.060 1.00 0.00 C ATOM 1026 O LYS A 63 -13.892 -1.228 -1.169 1.00 0.00 O ATOM 1027 CB LYS A 63 -11.484 0.536 -0.811 1.00 0.00 C ATOM 1028 CG LYS A 63 -10.198 0.543 0.018 1.00 0.00 C ATOM 1029 CD LYS A 63 -9.988 1.933 0.622 1.00 0.00 C ATOM 1030 CE LYS A 63 -11.082 2.210 1.655 1.00 0.00 C ATOM 1031 NZ LYS A 63 -12.312 2.686 0.962 1.00 0.00 N ATOM 0 H LYS A 63 -12.758 -0.120 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.647 -1.328 -1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.493 1.385 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.350 0.644 -0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.259 -0.204 0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.347 0.275 -0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.006 1.993 1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.013 2.690 -0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.299 1.305 2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.741 2.960 2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.672 3.537 1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.087 2.914 -0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.037 1.940 0.989 1.00 0.00 H new ATOM 1045 N VAL A 64 -12.460 -2.745 -0.486 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.559 -3.599 0.046 1.00 0.00 C ATOM 1047 C VAL A 64 -13.516 -3.602 1.583 1.00 0.00 C ATOM 1048 O VAL A 64 -12.606 -4.148 2.174 1.00 0.00 O ATOM 1049 CB VAL A 64 -13.382 -5.026 -0.482 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -13.165 -4.983 -1.996 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -12.165 -5.678 0.181 1.00 0.00 C ATOM 0 H VAL A 64 -11.519 -3.119 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.522 -3.205 -0.280 1.00 0.00 H new ATOM 0 HB VAL A 64 -14.275 -5.607 -0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.039 -5.997 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.029 -4.522 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.272 -4.399 -2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.044 -6.693 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.272 -5.097 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -12.312 -5.709 1.261 1.00 0.00 H new ATOM 1218 N PHE A 76 -9.077 -4.665 2.447 1.00 0.00 N ATOM 1219 CA PHE A 76 -8.180 -5.206 1.388 1.00 0.00 C ATOM 1220 C PHE A 76 -8.258 -4.319 0.143 1.00 0.00 C ATOM 1221 O PHE A 76 -9.326 -3.949 -0.303 1.00 0.00 O ATOM 1222 CB PHE A 76 -8.618 -6.627 1.030 1.00 0.00 C ATOM 1223 CG PHE A 76 -7.399 -7.503 0.870 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -6.591 -7.378 -0.267 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -7.076 -8.442 1.858 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -5.461 -8.190 -0.416 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -5.946 -9.255 1.707 1.00 0.00 C ATOM 1228 CZ PHE A 76 -5.139 -9.129 0.571 1.00 0.00 C ATOM 0 HA PHE A 76 -7.154 -5.221 1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.267 -7.027 1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.197 -6.619 0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.840 -6.655 -1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.698 -8.539 2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.837 -8.092 -1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.697 -9.980 2.468 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.267 -9.756 0.456 1.00 0.00 H new ATOM 1238 N TRP A 77 -7.131 -3.979 -0.421 1.00 0.00 N ATOM 1239 CA TRP A 77 -7.131 -3.118 -1.637 1.00 0.00 C ATOM 1240 C TRP A 77 -7.176 -4.001 -2.886 1.00 0.00 C ATOM 1241 O TRP A 77 -6.695 -5.116 -2.886 1.00 0.00 O ATOM 1242 CB TRP A 77 -5.856 -2.272 -1.658 1.00 0.00 C ATOM 1243 CG TRP A 77 -6.165 -0.893 -1.171 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -5.749 -0.372 0.006 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.946 0.146 -1.827 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.225 0.922 0.115 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -6.967 1.287 -0.990 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -7.631 0.211 -3.053 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -7.643 2.451 -1.357 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.313 1.381 -3.426 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -8.319 2.498 -2.579 1.00 0.00 C ATOM 0 H TRP A 77 -6.208 -4.261 -0.091 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.003 -2.465 -1.622 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.093 -2.729 -1.028 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -5.451 -2.230 -2.669 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -5.144 -0.883 0.740 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -6.049 1.532 0.914 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.633 -0.644 -3.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.644 3.309 -0.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.836 1.420 -4.370 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.846 3.394 -2.871 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.749 -3.511 -3.951 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.822 -4.326 -5.196 1.00 0.00 C ATOM 1264 C ARG A 78 -8.066 -3.411 -6.395 1.00 0.00 C ATOM 1265 O ARG A 78 -8.650 -2.352 -6.273 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.975 -5.326 -5.082 1.00 0.00 C ATOM 1267 CG ARG A 78 -8.794 -6.435 -6.120 1.00 0.00 C ATOM 1268 CD ARG A 78 -9.916 -7.465 -5.970 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.234 -6.775 -6.031 1.00 0.00 N ATOM 1270 CZ ARG A 78 -12.315 -7.401 -5.653 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -12.422 -7.836 -4.427 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -13.289 -7.590 -6.501 1.00 0.00 N ATOM 0 H ARG A 78 -8.169 -2.583 -4.013 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.882 -4.862 -5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.002 -5.753 -4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.927 -4.819 -5.239 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.806 -6.012 -7.125 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.825 -6.916 -5.988 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.847 -8.211 -6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.814 -7.994 -5.023 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.292 -5.814 -6.368 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.661 -7.687 -3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.267 -8.325 -4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.205 -7.249 -7.458 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.134 -8.079 -6.206 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.634 -3.814 -7.559 1.00 0.00 N ATOM 1287 CA ILE A 79 -7.854 -2.969 -8.767 1.00 0.00 C ATOM 1288 C ILE A 79 -8.931 -3.612 -9.638 1.00 0.00 C ATOM 1289 O ILE A 79 -9.103 -4.814 -9.642 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.553 -2.843 -9.563 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.789 -1.946 -10.779 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -6.102 -4.220 -10.037 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.665 -0.917 -10.878 1.00 0.00 C ATOM 0 H ILE A 79 -7.139 -4.690 -7.725 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.175 -1.974 -8.459 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.782 -2.409 -8.926 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.826 -2.548 -11.687 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.751 -1.442 -10.691 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.175 -4.124 -10.603 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.935 -4.865 -9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.872 -4.656 -10.673 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.833 -0.277 -11.745 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.649 -0.307 -9.975 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.710 -1.431 -10.986 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.662 -2.822 -10.372 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.732 -3.391 -11.234 1.00 0.00 C ATOM 1307 C ASP A 80 -10.108 -4.383 -12.224 1.00 0.00 C ATOM 1308 O ASP A 80 -9.048 -4.132 -12.762 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.416 -2.260 -12.001 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.624 -2.814 -12.759 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -13.610 -3.127 -12.113 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -12.543 -2.915 -13.972 1.00 0.00 O ATOM 0 H ASP A 80 -9.565 -1.807 -10.412 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.468 -3.908 -10.618 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.734 -1.479 -11.311 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.714 -1.803 -12.699 1.00 0.00 H new ATOM 1317 N PRO A 81 -10.783 -5.487 -12.428 1.00 0.00 N ATOM 1318 CA PRO A 81 -10.315 -6.544 -13.342 1.00 0.00 C ATOM 1319 C PRO A 81 -10.594 -6.156 -14.796 1.00 0.00 C ATOM 1320 O PRO A 81 -9.770 -6.350 -15.667 1.00 0.00 O ATOM 1321 CB PRO A 81 -11.144 -7.765 -12.932 1.00 0.00 C ATOM 1322 CG PRO A 81 -12.406 -7.218 -12.224 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.073 -5.783 -11.772 1.00 0.00 C ATOM 0 HA PRO A 81 -9.242 -6.723 -13.278 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.415 -8.361 -13.804 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.576 -8.414 -12.266 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.261 -7.222 -12.900 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.671 -7.841 -11.370 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.847 -5.079 -12.079 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.993 -5.716 -10.687 1.00 0.00 H new ATOM 1331 N ALA A 82 -11.747 -5.612 -15.068 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.067 -5.217 -16.469 1.00 0.00 C ATOM 1333 C ALA A 82 -11.176 -4.045 -16.876 1.00 0.00 C ATOM 1334 O ALA A 82 -10.977 -3.782 -18.046 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.537 -4.807 -16.568 1.00 0.00 C ATOM 0 H ALA A 82 -12.480 -5.424 -14.384 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.888 -6.061 -17.136 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.766 -4.519 -17.594 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.169 -5.646 -16.277 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.725 -3.963 -15.904 1.00 0.00 H new ATOM 1341 N SER A 83 -10.623 -3.349 -15.922 1.00 0.00 N ATOM 1342 CA SER A 83 -9.728 -2.211 -16.260 1.00 0.00 C ATOM 1343 C SER A 83 -8.283 -2.681 -16.115 1.00 0.00 C ATOM 1344 O SER A 83 -7.359 -2.026 -16.553 1.00 0.00 O ATOM 1345 CB SER A 83 -9.986 -1.039 -15.309 1.00 0.00 C ATOM 1346 OG SER A 83 -10.660 -0.006 -16.014 1.00 0.00 O ATOM 0 H SER A 83 -10.753 -3.520 -14.925 1.00 0.00 H new ATOM 0 HA SER A 83 -9.919 -1.878 -17.280 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.586 -1.368 -14.461 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.044 -0.667 -14.907 1.00 0.00 H new ATOM 0 HG SER A 83 -10.829 0.746 -15.409 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.084 -3.824 -15.511 1.00 0.00 N ATOM 1353 CA GLU A 84 -6.702 -4.340 -15.335 1.00 0.00 C ATOM 1354 C GLU A 84 -6.041 -4.451 -16.699 1.00 0.00 C ATOM 1355 O GLU A 84 -5.094 -3.751 -16.985 1.00 0.00 O ATOM 1356 CB GLU A 84 -6.740 -5.721 -14.675 1.00 0.00 C ATOM 1357 CG GLU A 84 -6.723 -5.555 -13.156 1.00 0.00 C ATOM 1358 CD GLU A 84 -5.616 -6.427 -12.559 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -4.562 -6.509 -13.168 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -5.842 -6.995 -11.504 1.00 0.00 O ATOM 0 H GLU A 84 -8.821 -4.419 -15.134 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.137 -3.658 -14.700 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.636 -6.260 -14.984 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.884 -6.314 -14.997 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.557 -4.510 -12.896 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.689 -5.838 -12.738 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.536 -5.304 -17.553 1.00 0.00 N ATOM 1368 CA ALA A 85 -5.921 -5.425 -18.904 1.00 0.00 C ATOM 1369 C ALA A 85 -5.668 -4.021 -19.455 1.00 0.00 C ATOM 1370 O ALA A 85 -4.788 -3.807 -20.264 1.00 0.00 O ATOM 1371 CB ALA A 85 -6.871 -6.180 -19.836 1.00 0.00 C ATOM 0 H ALA A 85 -7.332 -5.917 -17.376 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.981 -5.973 -18.837 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.419 -6.267 -20.824 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.060 -7.176 -19.434 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.812 -5.636 -19.915 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.434 -3.060 -19.011 1.00 0.00 N ATOM 1378 CA LYS A 86 -6.242 -1.665 -19.493 1.00 0.00 C ATOM 1379 C LYS A 86 -5.099 -1.007 -18.711 1.00 0.00 C ATOM 1380 O LYS A 86 -4.092 -0.628 -19.276 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.534 -0.872 -19.279 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.502 0.401 -20.128 1.00 0.00 C ATOM 1383 CD LYS A 86 -8.827 1.152 -19.975 1.00 0.00 C ATOM 1384 CE LYS A 86 -9.163 1.299 -18.489 1.00 0.00 C ATOM 1385 NZ LYS A 86 -10.439 2.054 -18.342 1.00 0.00 N ATOM 0 H LYS A 86 -7.186 -3.184 -18.333 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.994 -1.676 -20.554 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.396 -1.481 -19.551 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.645 -0.616 -18.225 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.673 1.037 -19.817 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.334 0.148 -21.175 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.756 2.135 -20.441 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.624 0.613 -20.487 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.254 0.316 -18.027 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.357 1.821 -17.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.984 1.663 -17.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.230 3.056 -18.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.995 1.970 -19.217 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.245 -0.856 -17.419 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.157 -0.207 -16.628 1.00 0.00 C ATOM 1401 C LEU A 87 -2.829 -0.889 -16.907 1.00 0.00 C ATOM 1402 O LEU A 87 -1.890 -0.282 -17.384 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.438 -0.280 -15.117 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.313 -1.489 -14.764 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.686 -2.247 -13.591 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.701 -1.007 -14.340 1.00 0.00 C ATOM 0 H LEU A 87 -6.061 -1.150 -16.883 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.116 0.840 -16.930 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.495 -0.341 -14.573 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.933 0.635 -14.794 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.391 -2.140 -15.635 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.307 -3.107 -13.339 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.689 -2.589 -13.870 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.614 -1.586 -12.727 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.323 -1.866 -14.089 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.610 -0.358 -13.469 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.160 -0.453 -15.159 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.740 -2.141 -16.597 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.476 -2.879 -16.819 1.00 0.00 C ATOM 1420 C VAL A 88 -0.850 -2.484 -18.157 1.00 0.00 C ATOM 1421 O VAL A 88 0.356 -2.463 -18.302 1.00 0.00 O ATOM 1422 CB VAL A 88 -1.784 -4.356 -16.849 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.238 -4.821 -15.466 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -2.892 -4.604 -17.869 1.00 0.00 C ATOM 0 H VAL A 88 -3.497 -2.693 -16.194 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.778 -2.640 -16.017 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.891 -4.914 -17.129 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.459 -5.888 -15.495 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.446 -4.634 -14.741 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.134 -4.273 -15.174 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.125 -5.668 -17.901 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.783 -4.046 -17.581 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.560 -4.275 -18.854 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.649 -2.172 -19.138 1.00 0.00 N ATOM 1435 CA GLU A 89 -1.077 -1.784 -20.457 1.00 0.00 C ATOM 1436 C GLU A 89 -0.099 -0.630 -20.243 1.00 0.00 C ATOM 1437 O GLU A 89 0.983 -0.609 -20.795 1.00 0.00 O ATOM 1438 CB GLU A 89 -2.198 -1.337 -21.398 1.00 0.00 C ATOM 1439 CG GLU A 89 -1.668 -1.276 -22.833 1.00 0.00 C ATOM 1440 CD GLU A 89 -2.122 -2.519 -23.600 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -2.139 -3.584 -23.007 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -2.448 -2.383 -24.768 1.00 0.00 O ATOM 0 H GLU A 89 -2.668 -2.169 -19.085 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.562 -2.635 -20.902 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.036 -2.032 -21.338 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.572 -0.359 -21.096 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.034 -0.377 -23.329 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.580 -1.217 -22.827 1.00 0.00 H new ATOM 1449 N GLN A 90 -0.463 0.320 -19.429 1.00 0.00 N ATOM 1450 CA GLN A 90 0.453 1.460 -19.158 1.00 0.00 C ATOM 1451 C GLN A 90 1.328 1.115 -17.949 1.00 0.00 C ATOM 1452 O GLN A 90 2.096 1.927 -17.471 1.00 0.00 O ATOM 1453 CB GLN A 90 -0.367 2.715 -18.856 1.00 0.00 C ATOM 1454 CG GLN A 90 0.505 3.957 -19.057 1.00 0.00 C ATOM 1455 CD GLN A 90 -0.349 5.094 -19.621 1.00 0.00 C ATOM 1456 OE1 GLN A 90 -0.898 5.884 -18.880 1.00 0.00 O ATOM 1457 NE2 GLN A 90 -0.485 5.210 -20.915 1.00 0.00 N ATOM 0 H GLN A 90 -1.357 0.356 -18.939 1.00 0.00 H new ATOM 0 HA GLN A 90 1.082 1.645 -20.029 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.238 2.759 -19.510 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.739 2.681 -17.832 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.951 4.259 -18.109 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.326 3.732 -19.738 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.024 4.547 -21.538 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.052 5.964 -21.303 1.00 0.00 H new ATOM 1466 N ALA A 91 1.213 -0.088 -17.448 1.00 0.00 N ATOM 1467 CA ALA A 91 2.026 -0.494 -16.269 1.00 0.00 C ATOM 1468 C ALA A 91 3.475 -0.720 -16.700 1.00 0.00 C ATOM 1469 O ALA A 91 4.358 0.047 -16.370 1.00 0.00 O ATOM 1470 CB ALA A 91 1.464 -1.784 -15.673 1.00 0.00 C ATOM 0 H ALA A 91 0.587 -0.808 -17.809 1.00 0.00 H new ATOM 0 HA ALA A 91 1.989 0.295 -15.518 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.062 -2.077 -14.810 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.432 -1.621 -15.361 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.496 -2.575 -16.422 1.00 0.00 H new ATOM 1476 N PHE A 92 3.727 -1.768 -17.435 1.00 0.00 N ATOM 1477 CA PHE A 92 5.118 -2.042 -17.888 1.00 0.00 C ATOM 1478 C PHE A 92 5.537 -0.984 -18.910 1.00 0.00 C ATOM 1479 O PHE A 92 5.584 -1.238 -20.097 1.00 0.00 O ATOM 1480 CB PHE A 92 5.177 -3.429 -18.532 1.00 0.00 C ATOM 1481 CG PHE A 92 4.280 -4.376 -17.770 1.00 0.00 C ATOM 1482 CD1 PHE A 92 4.483 -4.580 -16.400 1.00 0.00 C ATOM 1483 CD2 PHE A 92 3.245 -5.049 -18.432 1.00 0.00 C ATOM 1484 CE1 PHE A 92 3.653 -5.456 -15.692 1.00 0.00 C ATOM 1485 CE2 PHE A 92 2.415 -5.927 -17.723 1.00 0.00 C ATOM 1486 CZ PHE A 92 2.619 -6.130 -16.353 1.00 0.00 C ATOM 0 H PHE A 92 3.029 -2.446 -17.741 1.00 0.00 H new ATOM 0 HA PHE A 92 5.795 -2.009 -17.034 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.862 -3.372 -19.574 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.202 -3.800 -18.529 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.281 -4.061 -15.889 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.087 -4.891 -19.489 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.810 -5.612 -14.635 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.618 -6.447 -18.233 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.979 -6.806 -15.806 1.00 0.00 H new ATOM 1496 N ARG A 93 5.838 0.205 -18.460 1.00 0.00 N ATOM 1497 CA ARG A 93 6.249 1.277 -19.410 1.00 0.00 C ATOM 1498 C ARG A 93 6.805 2.472 -18.632 1.00 0.00 C ATOM 1499 O ARG A 93 6.067 3.315 -18.161 1.00 0.00 O ATOM 1500 CB ARG A 93 5.032 1.721 -20.226 1.00 0.00 C ATOM 1501 CG ARG A 93 5.463 2.740 -21.282 1.00 0.00 C ATOM 1502 CD ARG A 93 4.226 3.429 -21.857 1.00 0.00 C ATOM 1503 NE ARG A 93 3.983 2.939 -23.244 1.00 0.00 N ATOM 1504 CZ ARG A 93 4.315 3.681 -24.264 1.00 0.00 C ATOM 1505 NH1 ARG A 93 3.584 4.713 -24.587 1.00 0.00 N ATOM 1506 NH2 ARG A 93 5.378 3.391 -24.962 1.00 0.00 N ATOM 0 H ARG A 93 5.817 0.479 -17.478 1.00 0.00 H new ATOM 0 HA ARG A 93 7.020 0.894 -20.078 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.570 0.859 -20.706 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.282 2.160 -19.568 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.131 3.478 -20.839 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.019 2.243 -22.077 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.358 3.224 -21.230 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.368 4.510 -21.861 1.00 0.00 H new ATOM 0 HE ARG A 93 3.558 2.024 -23.395 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.752 4.940 -24.042 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.844 5.293 -25.385 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.949 2.584 -24.710 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.638 3.971 -25.760 1.00 0.00 H new