USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 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 54 ASN : amide:sc= -7.71! C(o=-13!,f=-11!) USER MOD Set 1.2: A 58 ASN : amide:sc= -5.44! C(o=-13!,f=-11!) USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= -0.573 USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 6 TYR OH : rot 15:sc= 0.247 USER MOD Set 3.2: A 37 TYR OH : rot 18:sc= 1.38 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -6.63! C(o=-6.6!,f=-5.3!) USER MOD Single : A 14 GLN : amide:sc= -0.632 K(o=-0.63,f=0) USER MOD Single : A 17 SER OG : rot -33:sc= 0.178 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0969 X(o=-0.097,f=-0.58) USER MOD Single : A 23 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.15) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.046 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -61:sc= -0.58! USER MOD Single : A 32 HIS : no HD1:sc= -9.95! C(o=-9.9!,f=-8.5!) USER MOD Single : A 34 THR OG1 : rot -72:sc= 0.783 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.016 X(o=-0.016,f=-0.0072) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0646 USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= -0.0913 (180deg=-0.753) USER MOD Single : A 48 GLN : amide:sc= -4.45! C(o=-4.5!,f=-2.3!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot -160:sc= 0.15 USER MOD Single : A 53 HIS : no HD1:sc= -2.02! K(o=-2!,f=-1) USER MOD Single : A 56 SER OG : rot 180:sc=-0.00928 USER MOD Single : A 60 TYR OH : rot 180:sc= -2.18! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 170:sc= -0.0262 (180deg=-0.0704) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 10.248 2.260 -6.792 1.00 0.00 N ATOM 80 CA TYR A 6 8.877 1.799 -7.097 1.00 0.00 C ATOM 81 C TYR A 6 8.095 2.886 -7.815 1.00 0.00 C ATOM 82 O TYR A 6 8.187 4.058 -7.509 1.00 0.00 O ATOM 83 CB TYR A 6 8.178 1.428 -5.802 1.00 0.00 C ATOM 84 CG TYR A 6 9.072 0.510 -5.006 1.00 0.00 C ATOM 85 CD1 TYR A 6 10.090 -0.228 -5.637 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.872 0.391 -3.634 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.897 -1.084 -4.878 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.679 -0.461 -2.876 1.00 0.00 C ATOM 89 CZ TYR A 6 10.691 -1.201 -3.497 1.00 0.00 C ATOM 90 OH TYR A 6 11.487 -2.044 -2.749 1.00 0.00 O ATOM 0 HA TYR A 6 8.930 0.928 -7.750 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.952 2.325 -5.226 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.228 0.937 -6.014 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.248 -0.135 -6.701 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.090 0.960 -3.153 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.679 -1.655 -5.357 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.522 -0.548 -1.811 1.00 0.00 H new ATOM 0 HH TYR A 6 12.278 -2.295 -3.270 1.00 0.00 H new ATOM 100 N SER A 7 7.326 2.483 -8.773 1.00 0.00 N ATOM 101 CA SER A 7 6.511 3.442 -9.549 1.00 0.00 C ATOM 102 C SER A 7 5.066 3.351 -9.068 1.00 0.00 C ATOM 103 O SER A 7 4.743 2.561 -8.207 1.00 0.00 O ATOM 104 CB SER A 7 6.595 3.054 -11.017 1.00 0.00 C ATOM 105 OG SER A 7 7.045 4.168 -11.779 1.00 0.00 O ATOM 0 H SER A 7 7.225 1.509 -9.058 1.00 0.00 H new ATOM 0 HA SER A 7 6.872 4.462 -9.416 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.278 2.214 -11.143 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.618 2.727 -11.374 1.00 0.00 H new ATOM 0 HG SER A 7 7.100 3.917 -12.725 1.00 0.00 H new ATOM 111 N TYR A 8 4.192 4.146 -9.608 1.00 0.00 N ATOM 112 CA TYR A 8 2.776 4.086 -9.161 1.00 0.00 C ATOM 113 C TYR A 8 2.035 3.002 -9.946 1.00 0.00 C ATOM 114 O TYR A 8 1.183 3.275 -10.768 1.00 0.00 O ATOM 115 CB TYR A 8 2.132 5.454 -9.367 1.00 0.00 C ATOM 116 CG TYR A 8 3.019 6.498 -8.729 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.783 6.166 -7.603 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.083 7.790 -9.261 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.613 7.123 -7.010 1.00 0.00 C ATOM 120 CE2 TYR A 8 3.912 8.749 -8.667 1.00 0.00 C ATOM 121 CZ TYR A 8 4.677 8.416 -7.542 1.00 0.00 C ATOM 122 OH TYR A 8 5.496 9.362 -6.961 1.00 0.00 O ATOM 0 H TYR A 8 4.394 4.832 -10.336 1.00 0.00 H new ATOM 0 HA TYR A 8 2.724 3.831 -8.102 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.009 5.659 -10.430 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.138 5.477 -8.921 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.731 5.169 -7.192 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.494 8.047 -10.129 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.203 6.865 -6.143 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.962 9.747 -9.077 1.00 0.00 H new ATOM 0 HH TYR A 8 5.423 10.206 -7.454 1.00 0.00 H new ATOM 132 N ALA A 9 2.366 1.768 -9.683 1.00 0.00 N ATOM 133 CA ALA A 9 1.711 0.625 -10.380 1.00 0.00 C ATOM 134 C ALA A 9 2.268 -0.671 -9.789 1.00 0.00 C ATOM 135 O ALA A 9 1.534 -1.551 -9.389 1.00 0.00 O ATOM 136 CB ALA A 9 2.020 0.686 -11.875 1.00 0.00 C ATOM 0 H ALA A 9 3.076 1.499 -9.002 1.00 0.00 H new ATOM 0 HA ALA A 9 0.630 0.669 -10.246 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.539 -0.152 -12.380 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.644 1.623 -12.286 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.098 0.630 -12.026 1.00 0.00 H new ATOM 142 N GLN A 10 3.567 -0.763 -9.694 1.00 0.00 N ATOM 143 CA GLN A 10 4.203 -1.965 -9.085 1.00 0.00 C ATOM 144 C GLN A 10 4.344 -1.669 -7.598 1.00 0.00 C ATOM 145 O GLN A 10 4.307 -2.548 -6.759 1.00 0.00 O ATOM 146 CB GLN A 10 5.582 -2.199 -9.709 1.00 0.00 C ATOM 147 CG GLN A 10 6.431 -0.936 -9.568 1.00 0.00 C ATOM 148 CD GLN A 10 7.848 -1.316 -9.135 1.00 0.00 C ATOM 149 OE1 GLN A 10 8.244 -1.059 -8.016 1.00 0.00 O ATOM 150 NE2 GLN A 10 8.633 -1.924 -9.982 1.00 0.00 N ATOM 0 H GLN A 10 4.221 -0.049 -10.016 1.00 0.00 H new ATOM 0 HA GLN A 10 3.605 -2.861 -9.254 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.076 -3.038 -9.219 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.476 -2.462 -10.761 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.461 -0.398 -10.516 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.984 -0.265 -8.835 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.300 -2.140 -10.922 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.580 -2.184 -9.704 1.00 0.00 H new ATOM 159 N LEU A 11 4.463 -0.409 -7.277 1.00 0.00 N ATOM 160 CA LEU A 11 4.557 0.005 -5.859 1.00 0.00 C ATOM 161 C LEU A 11 3.278 -0.467 -5.178 1.00 0.00 C ATOM 162 O LEU A 11 3.283 -0.963 -4.069 1.00 0.00 O ATOM 163 CB LEU A 11 4.652 1.530 -5.811 1.00 0.00 C ATOM 164 CG LEU A 11 4.478 2.026 -4.382 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.823 2.509 -3.855 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.491 3.188 -4.375 1.00 0.00 C ATOM 0 H LEU A 11 4.499 0.356 -7.950 1.00 0.00 H new ATOM 0 HA LEU A 11 5.429 -0.419 -5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.617 1.853 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.887 1.969 -6.451 1.00 0.00 H new ATOM 0 HG LEU A 11 4.103 1.219 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.706 2.866 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.538 1.686 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.189 3.321 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.361 3.549 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.875 3.995 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.531 2.852 -4.766 1.00 0.00 H new ATOM 178 N ILE A 12 2.182 -0.343 -5.878 1.00 0.00 N ATOM 179 CA ILE A 12 0.873 -0.810 -5.335 1.00 0.00 C ATOM 180 C ILE A 12 0.940 -2.314 -5.130 1.00 0.00 C ATOM 181 O ILE A 12 0.588 -2.822 -4.099 1.00 0.00 O ATOM 182 CB ILE A 12 -0.230 -0.539 -6.349 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.012 0.802 -7.070 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.577 -0.536 -5.638 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.350 1.902 -6.070 1.00 0.00 C ATOM 0 H ILE A 12 2.137 0.066 -6.811 1.00 0.00 H new ATOM 0 HA ILE A 12 0.667 -0.289 -4.400 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.209 -1.327 -7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.784 0.699 -7.808 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.916 1.080 -7.612 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.370 -0.342 -6.361 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.743 -1.506 -5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.584 0.242 -4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.500 2.842 -6.601 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.459 2.018 -5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.267 1.631 -5.547 1.00 0.00 H new ATOM 197 N VAL A 13 1.376 -3.021 -6.130 1.00 0.00 N ATOM 198 CA VAL A 13 1.457 -4.505 -6.043 1.00 0.00 C ATOM 199 C VAL A 13 2.156 -4.926 -4.751 1.00 0.00 C ATOM 200 O VAL A 13 1.575 -5.587 -3.913 1.00 0.00 O ATOM 201 CB VAL A 13 2.275 -5.006 -7.230 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.327 -6.532 -7.211 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.626 -4.520 -8.527 1.00 0.00 C ATOM 0 H VAL A 13 1.685 -2.629 -7.019 1.00 0.00 H new ATOM 0 HA VAL A 13 0.452 -4.926 -6.053 1.00 0.00 H new ATOM 0 HB VAL A 13 3.292 -4.618 -7.167 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.912 -6.887 -8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.792 -6.869 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.315 -6.931 -7.275 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.206 -4.875 -9.379 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.610 -4.908 -8.593 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.599 -3.430 -8.535 1.00 0.00 H new ATOM 213 N GLN A 14 3.389 -4.554 -4.573 1.00 0.00 N ATOM 214 CA GLN A 14 4.099 -4.948 -3.327 1.00 0.00 C ATOM 215 C GLN A 14 3.276 -4.475 -2.131 1.00 0.00 C ATOM 216 O GLN A 14 3.349 -5.023 -1.049 1.00 0.00 O ATOM 217 CB GLN A 14 5.471 -4.274 -3.298 1.00 0.00 C ATOM 218 CG GLN A 14 6.533 -5.274 -2.842 1.00 0.00 C ATOM 219 CD GLN A 14 7.912 -4.619 -2.927 1.00 0.00 C ATOM 220 OE1 GLN A 14 8.915 -5.296 -3.031 1.00 0.00 O ATOM 221 NE2 GLN A 14 8.003 -3.317 -2.888 1.00 0.00 N ATOM 0 H GLN A 14 3.934 -3.997 -5.231 1.00 0.00 H new ATOM 0 HA GLN A 14 4.226 -6.030 -3.289 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.719 -3.893 -4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.451 -3.418 -2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.332 -5.595 -1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.502 -6.166 -3.468 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.160 -2.749 -2.801 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.917 -2.868 -2.945 1.00 0.00 H new ATOM 230 N ALA A 15 2.496 -3.451 -2.326 1.00 0.00 N ATOM 231 CA ALA A 15 1.656 -2.912 -1.224 1.00 0.00 C ATOM 232 C ALA A 15 0.514 -3.875 -0.878 1.00 0.00 C ATOM 233 O ALA A 15 0.291 -4.207 0.270 1.00 0.00 O ATOM 234 CB ALA A 15 1.058 -1.578 -1.672 1.00 0.00 C ATOM 0 H ALA A 15 2.404 -2.958 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 15 2.280 -2.783 -0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.439 -1.170 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.861 -0.878 -1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.447 -1.733 -2.561 1.00 0.00 H new ATOM 240 N ILE A 16 -0.228 -4.295 -1.862 1.00 0.00 N ATOM 241 CA ILE A 16 -1.383 -5.206 -1.606 1.00 0.00 C ATOM 242 C ILE A 16 -0.936 -6.670 -1.634 1.00 0.00 C ATOM 243 O ILE A 16 -1.109 -7.398 -0.678 1.00 0.00 O ATOM 244 CB ILE A 16 -2.499 -4.975 -2.649 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.072 -3.938 -3.704 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.732 -4.451 -1.924 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.304 -3.345 -4.396 1.00 0.00 C ATOM 0 H ILE A 16 -0.085 -4.046 -2.841 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.776 -4.981 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.706 -5.918 -3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.495 -3.144 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.422 -4.407 -4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.533 -4.281 -2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.058 -5.183 -1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.489 -3.514 -1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.987 -2.613 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.864 -4.141 -4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.938 -2.858 -3.655 1.00 0.00 H new ATOM 259 N SER A 17 -0.383 -7.113 -2.728 1.00 0.00 N ATOM 260 CA SER A 17 0.050 -8.538 -2.818 1.00 0.00 C ATOM 261 C SER A 17 0.996 -8.880 -1.662 1.00 0.00 C ATOM 262 O SER A 17 0.901 -9.934 -1.067 1.00 0.00 O ATOM 263 CB SER A 17 0.766 -8.768 -4.149 1.00 0.00 C ATOM 264 OG SER A 17 1.856 -7.862 -4.262 1.00 0.00 O ATOM 0 H SER A 17 -0.212 -6.553 -3.563 1.00 0.00 H new ATOM 0 HA SER A 17 -0.829 -9.180 -2.756 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.125 -9.795 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.072 -8.624 -4.977 1.00 0.00 H new ATOM 0 HG SER A 17 1.630 -7.020 -3.814 1.00 0.00 H new ATOM 270 N SER A 18 1.911 -8.008 -1.341 1.00 0.00 N ATOM 271 CA SER A 18 2.860 -8.303 -0.227 1.00 0.00 C ATOM 272 C SER A 18 2.172 -8.066 1.119 1.00 0.00 C ATOM 273 O SER A 18 2.635 -8.515 2.148 1.00 0.00 O ATOM 274 CB SER A 18 4.084 -7.393 -0.336 1.00 0.00 C ATOM 275 OG SER A 18 5.238 -8.110 0.084 1.00 0.00 O ATOM 0 H SER A 18 2.044 -7.106 -1.799 1.00 0.00 H new ATOM 0 HA SER A 18 3.173 -9.345 -0.295 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.208 -7.051 -1.364 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.948 -6.505 0.281 1.00 0.00 H new ATOM 0 HG SER A 18 6.026 -7.531 0.015 1.00 0.00 H new ATOM 281 N ALA A 19 1.068 -7.369 1.125 1.00 0.00 N ATOM 282 CA ALA A 19 0.360 -7.115 2.412 1.00 0.00 C ATOM 283 C ALA A 19 -0.087 -8.450 3.007 1.00 0.00 C ATOM 284 O ALA A 19 0.426 -9.495 2.657 1.00 0.00 O ATOM 285 CB ALA A 19 -0.863 -6.230 2.161 1.00 0.00 C ATOM 0 H ALA A 19 0.627 -6.966 0.298 1.00 0.00 H new ATOM 0 HA ALA A 19 1.031 -6.609 3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.379 -6.046 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.543 -5.281 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.540 -6.732 1.469 1.00 0.00 H new ATOM 291 N GLN A 20 -1.037 -8.435 3.902 1.00 0.00 N ATOM 292 CA GLN A 20 -1.497 -9.716 4.503 1.00 0.00 C ATOM 293 C GLN A 20 -1.958 -10.657 3.381 1.00 0.00 C ATOM 294 O GLN A 20 -1.207 -11.498 2.928 1.00 0.00 O ATOM 295 CB GLN A 20 -2.639 -9.440 5.494 1.00 0.00 C ATOM 296 CG GLN A 20 -3.427 -10.727 5.765 1.00 0.00 C ATOM 297 CD GLN A 20 -3.428 -11.016 7.267 1.00 0.00 C ATOM 298 OE1 GLN A 20 -3.550 -10.114 8.071 1.00 0.00 O ATOM 299 NE2 GLN A 20 -3.295 -12.246 7.682 1.00 0.00 N ATOM 0 H GLN A 20 -1.511 -7.597 4.240 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.681 -10.191 5.048 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.234 -9.050 6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.304 -8.676 5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.450 -10.623 5.403 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.980 -11.561 5.223 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.193 -13.004 7.007 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.294 -12.450 8.681 1.00 0.00 H new ATOM 308 N ASP A 21 -3.172 -10.526 2.919 1.00 0.00 N ATOM 309 CA ASP A 21 -3.645 -11.419 1.824 1.00 0.00 C ATOM 310 C ASP A 21 -3.340 -10.766 0.472 1.00 0.00 C ATOM 311 O ASP A 21 -2.441 -11.173 -0.237 1.00 0.00 O ATOM 312 CB ASP A 21 -5.153 -11.644 1.959 1.00 0.00 C ATOM 313 CG ASP A 21 -5.422 -12.651 3.079 1.00 0.00 C ATOM 314 OD1 ASP A 21 -4.697 -12.625 4.060 1.00 0.00 O ATOM 315 OD2 ASP A 21 -6.350 -13.430 2.939 1.00 0.00 O ATOM 0 H ASP A 21 -3.853 -9.843 3.251 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.133 -12.379 1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.654 -10.701 2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.562 -12.013 1.018 1.00 0.00 H new ATOM 320 N ARG A 22 -4.084 -9.755 0.112 1.00 0.00 N ATOM 321 CA ARG A 22 -3.840 -9.072 -1.193 1.00 0.00 C ATOM 322 C ARG A 22 -4.858 -7.939 -1.377 1.00 0.00 C ATOM 323 O ARG A 22 -5.221 -7.587 -2.489 1.00 0.00 O ATOM 324 CB ARG A 22 -3.993 -10.085 -2.329 1.00 0.00 C ATOM 325 CG ARG A 22 -5.306 -10.852 -2.156 1.00 0.00 C ATOM 326 CD ARG A 22 -5.192 -12.221 -2.831 1.00 0.00 C ATOM 327 NE ARG A 22 -6.006 -13.217 -2.077 1.00 0.00 N ATOM 328 CZ ARG A 22 -6.797 -14.034 -2.718 1.00 0.00 C ATOM 329 NH1 ARG A 22 -6.555 -14.334 -3.965 1.00 0.00 N ATOM 330 NH2 ARG A 22 -7.830 -14.553 -2.111 1.00 0.00 N ATOM 0 H ARG A 22 -4.851 -9.372 0.665 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.832 -8.657 -1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.983 -9.573 -3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.152 -10.778 -2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.530 -10.975 -1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.129 -10.287 -2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.538 -12.159 -3.863 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.149 -12.537 -2.863 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.945 -13.260 -1.060 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.747 -13.930 -4.439 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.173 -14.972 -4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.019 -14.320 -1.136 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.448 -15.191 -2.612 1.00 0.00 H new ATOM 344 N GLN A 23 -5.326 -7.370 -0.295 1.00 0.00 N ATOM 345 CA GLN A 23 -6.323 -6.275 -0.397 1.00 0.00 C ATOM 346 C GLN A 23 -5.871 -5.082 0.445 1.00 0.00 C ATOM 347 O GLN A 23 -5.310 -5.238 1.511 1.00 0.00 O ATOM 348 CB GLN A 23 -7.665 -6.773 0.140 1.00 0.00 C ATOM 349 CG GLN A 23 -8.333 -7.688 -0.886 1.00 0.00 C ATOM 350 CD GLN A 23 -8.470 -9.095 -0.301 1.00 0.00 C ATOM 351 OE1 GLN A 23 -9.438 -9.781 -0.563 1.00 0.00 O ATOM 352 NE2 GLN A 23 -7.536 -9.555 0.485 1.00 0.00 N ATOM 0 H GLN A 23 -5.056 -7.622 0.656 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.419 -5.971 -1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.514 -7.311 1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.314 -5.926 0.361 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.314 -7.297 -1.154 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.742 -7.719 -1.801 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.724 -8.978 0.704 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.618 -10.492 0.880 1.00 0.00 H new ATOM 361 N LEU A 24 -6.127 -3.891 -0.018 1.00 0.00 N ATOM 362 CA LEU A 24 -5.735 -2.691 0.755 1.00 0.00 C ATOM 363 C LEU A 24 -6.822 -1.633 0.622 1.00 0.00 C ATOM 364 O LEU A 24 -7.490 -1.543 -0.389 1.00 0.00 O ATOM 365 CB LEU A 24 -4.441 -2.118 0.189 1.00 0.00 C ATOM 366 CG LEU A 24 -3.255 -2.957 0.662 1.00 0.00 C ATOM 367 CD1 LEU A 24 -1.962 -2.386 0.076 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.185 -2.916 2.189 1.00 0.00 C ATOM 0 H LEU A 24 -6.594 -3.701 -0.905 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.597 -2.968 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.482 -2.110 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.319 -1.084 0.511 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.379 -3.988 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.115 -2.984 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.014 -2.411 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.835 -1.356 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.340 -3.514 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.058 -1.885 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.107 -3.320 2.606 1.00 0.00 H new ATOM 380 N THR A 25 -6.985 -0.806 1.611 1.00 0.00 N ATOM 381 CA THR A 25 -8.004 0.263 1.498 1.00 0.00 C ATOM 382 C THR A 25 -7.393 1.360 0.636 1.00 0.00 C ATOM 383 O THR A 25 -6.232 1.297 0.288 1.00 0.00 O ATOM 384 CB THR A 25 -8.338 0.818 2.885 1.00 0.00 C ATOM 385 OG1 THR A 25 -7.952 -0.123 3.877 1.00 0.00 O ATOM 386 CG2 THR A 25 -9.841 1.081 2.983 1.00 0.00 C ATOM 0 H THR A 25 -6.461 -0.824 2.486 1.00 0.00 H new ATOM 0 HA THR A 25 -8.925 -0.119 1.058 1.00 0.00 H new ATOM 0 HB THR A 25 -7.798 1.752 3.042 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.164 0.233 4.765 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.078 1.476 3.971 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.134 1.805 2.223 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.384 0.149 2.825 1.00 0.00 H new ATOM 394 N LEU A 26 -8.136 2.357 0.275 1.00 0.00 N ATOM 395 CA LEU A 26 -7.530 3.421 -0.569 1.00 0.00 C ATOM 396 C LEU A 26 -6.321 4.003 0.168 1.00 0.00 C ATOM 397 O LEU A 26 -5.308 4.313 -0.428 1.00 0.00 O ATOM 398 CB LEU A 26 -8.551 4.528 -0.855 1.00 0.00 C ATOM 399 CG LEU A 26 -8.366 5.020 -2.291 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.217 6.271 -2.518 1.00 0.00 C ATOM 401 CD2 LEU A 26 -6.893 5.356 -2.524 1.00 0.00 C ATOM 0 H LEU A 26 -9.118 2.485 0.519 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.217 2.994 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.564 4.151 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.418 5.353 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.678 4.241 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.084 6.621 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.267 6.032 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.907 7.053 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.757 5.707 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.583 6.136 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.287 4.465 -2.363 1.00 0.00 H new ATOM 413 N SER A 27 -6.419 4.155 1.464 1.00 0.00 N ATOM 414 CA SER A 27 -5.277 4.717 2.242 1.00 0.00 C ATOM 415 C SER A 27 -4.491 3.596 2.938 1.00 0.00 C ATOM 416 O SER A 27 -3.946 3.788 4.007 1.00 0.00 O ATOM 417 CB SER A 27 -5.812 5.677 3.300 1.00 0.00 C ATOM 418 OG SER A 27 -6.055 6.944 2.704 1.00 0.00 O ATOM 0 H SER A 27 -7.242 3.914 2.016 1.00 0.00 H new ATOM 0 HA SER A 27 -4.613 5.241 1.555 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.732 5.283 3.733 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.094 5.777 4.114 1.00 0.00 H new ATOM 0 HG SER A 27 -6.401 7.563 3.381 1.00 0.00 H new ATOM 424 N GLY A 28 -4.421 2.435 2.351 1.00 0.00 N ATOM 425 CA GLY A 28 -3.660 1.320 2.996 1.00 0.00 C ATOM 426 C GLY A 28 -2.291 1.218 2.334 1.00 0.00 C ATOM 427 O GLY A 28 -1.278 1.001 2.970 1.00 0.00 O ATOM 0 H GLY A 28 -4.854 2.206 1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.550 1.505 4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.203 0.381 2.889 1.00 0.00 H new ATOM 431 N ILE A 29 -2.276 1.384 1.050 1.00 0.00 N ATOM 432 CA ILE A 29 -1.021 1.319 0.269 1.00 0.00 C ATOM 433 C ILE A 29 -0.002 2.297 0.837 1.00 0.00 C ATOM 434 O ILE A 29 1.183 2.034 0.875 1.00 0.00 O ATOM 435 CB ILE A 29 -1.371 1.734 -1.142 1.00 0.00 C ATOM 436 CG1 ILE A 29 -0.195 1.500 -2.070 1.00 0.00 C ATOM 437 CG2 ILE A 29 -1.739 3.217 -1.157 1.00 0.00 C ATOM 438 CD1 ILE A 29 -0.608 1.956 -3.455 1.00 0.00 C ATOM 0 H ILE A 29 -3.109 1.568 0.491 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.593 0.317 0.303 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.216 1.137 -1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.679 2.055 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.081 0.446 -2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.992 3.519 -2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.596 3.386 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.892 3.806 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.217 1.801 -4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.473 1.380 -3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.866 3.015 -3.428 1.00 0.00 H new ATOM 450 N TYR A 30 -0.466 3.426 1.264 1.00 0.00 N ATOM 451 CA TYR A 30 0.455 4.447 1.823 1.00 0.00 C ATOM 452 C TYR A 30 1.058 3.921 3.120 1.00 0.00 C ATOM 453 O TYR A 30 2.256 3.934 3.305 1.00 0.00 O ATOM 454 CB TYR A 30 -0.341 5.724 2.070 1.00 0.00 C ATOM 455 CG TYR A 30 -1.156 6.003 0.830 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.522 6.093 -0.415 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.542 6.141 0.919 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.272 6.324 -1.570 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.296 6.371 -0.239 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.662 6.463 -1.483 1.00 0.00 C ATOM 461 OH TYR A 30 -3.408 6.689 -2.623 1.00 0.00 O ATOM 0 H TYR A 30 -1.451 3.692 1.252 1.00 0.00 H new ATOM 0 HA TYR A 30 1.269 4.660 1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.991 5.608 2.937 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.329 6.557 2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.550 5.983 -0.482 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.032 6.071 1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.780 6.395 -2.529 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.369 6.478 -0.171 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.128 7.533 -3.035 1.00 0.00 H new ATOM 471 N ALA A 31 0.252 3.431 4.008 1.00 0.00 N ATOM 472 CA ALA A 31 0.806 2.884 5.272 1.00 0.00 C ATOM 473 C ALA A 31 1.660 1.649 4.955 1.00 0.00 C ATOM 474 O ALA A 31 2.419 1.180 5.779 1.00 0.00 O ATOM 475 CB ALA A 31 -0.343 2.483 6.201 1.00 0.00 C ATOM 0 H ALA A 31 -0.763 3.384 3.917 1.00 0.00 H new ATOM 0 HA ALA A 31 1.420 3.640 5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.063 2.081 7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.955 3.358 6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.956 1.724 5.715 1.00 0.00 H new ATOM 481 N HIS A 32 1.534 1.108 3.767 1.00 0.00 N ATOM 482 CA HIS A 32 2.328 -0.101 3.410 1.00 0.00 C ATOM 483 C HIS A 32 3.778 0.274 3.063 1.00 0.00 C ATOM 484 O HIS A 32 4.680 0.104 3.857 1.00 0.00 O ATOM 485 CB HIS A 32 1.683 -0.796 2.211 1.00 0.00 C ATOM 486 CG HIS A 32 2.533 -1.972 1.818 1.00 0.00 C ATOM 487 ND1 HIS A 32 2.116 -3.280 2.004 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.785 -2.053 1.260 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.102 -4.085 1.567 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.143 -3.388 1.103 1.00 0.00 N ATOM 0 H HIS A 32 0.916 1.453 3.033 1.00 0.00 H new ATOM 0 HA HIS A 32 2.341 -0.771 4.270 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.675 -1.126 2.463 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.591 -0.101 1.376 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.399 -1.208 0.985 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.057 -5.164 1.589 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.013 -3.755 0.717 1.00 0.00 H new ATOM 498 N ILE A 33 4.009 0.758 1.868 1.00 0.00 N ATOM 499 CA ILE A 33 5.401 1.122 1.451 1.00 0.00 C ATOM 500 C ILE A 33 6.011 2.128 2.430 1.00 0.00 C ATOM 501 O ILE A 33 7.172 2.041 2.768 1.00 0.00 O ATOM 502 CB ILE A 33 5.365 1.736 0.052 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.396 2.920 0.032 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.899 0.681 -0.955 1.00 0.00 C ATOM 505 CD1 ILE A 33 5.191 4.226 0.106 1.00 0.00 C ATOM 0 H ILE A 33 3.292 0.918 1.160 1.00 0.00 H new ATOM 0 HA ILE A 33 6.013 0.220 1.448 1.00 0.00 H new ATOM 0 HB ILE A 33 6.363 2.082 -0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.795 2.898 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.705 2.853 0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.873 1.118 -1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.590 -0.162 -0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.902 0.335 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.504 5.072 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.772 4.246 1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.864 4.291 -0.749 1.00 0.00 H new ATOM 517 N THR A 34 5.254 3.084 2.885 1.00 0.00 N ATOM 518 CA THR A 34 5.827 4.088 3.828 1.00 0.00 C ATOM 519 C THR A 34 6.386 3.375 5.063 1.00 0.00 C ATOM 520 O THR A 34 7.293 3.857 5.710 1.00 0.00 O ATOM 521 CB THR A 34 4.736 5.071 4.264 1.00 0.00 C ATOM 522 OG1 THR A 34 3.757 4.382 5.026 1.00 0.00 O ATOM 523 CG2 THR A 34 4.084 5.699 3.032 1.00 0.00 C ATOM 0 H THR A 34 4.271 3.216 2.649 1.00 0.00 H new ATOM 0 HA THR A 34 6.627 4.632 3.326 1.00 0.00 H new ATOM 0 HB THR A 34 5.180 5.859 4.873 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.229 3.805 4.435 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.309 6.397 3.347 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.838 6.231 2.453 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.639 4.917 2.417 1.00 0.00 H new ATOM 531 N LYS A 35 5.850 2.234 5.396 1.00 0.00 N ATOM 532 CA LYS A 35 6.351 1.497 6.592 1.00 0.00 C ATOM 533 C LYS A 35 7.630 0.734 6.241 1.00 0.00 C ATOM 534 O LYS A 35 8.482 0.515 7.080 1.00 0.00 O ATOM 535 CB LYS A 35 5.284 0.508 7.065 1.00 0.00 C ATOM 536 CG LYS A 35 4.703 0.983 8.398 1.00 0.00 C ATOM 537 CD LYS A 35 5.739 0.781 9.505 1.00 0.00 C ATOM 538 CE LYS A 35 5.266 -0.324 10.452 1.00 0.00 C ATOM 539 NZ LYS A 35 4.375 0.262 11.493 1.00 0.00 N ATOM 0 H LYS A 35 5.088 1.780 4.893 1.00 0.00 H new ATOM 0 HA LYS A 35 6.568 2.212 7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.493 0.426 6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.718 -0.485 7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.426 2.035 8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.794 0.428 8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.703 0.515 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.883 1.710 10.057 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.733 -1.093 9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.123 -0.807 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.053 -0.489 12.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.898 0.981 12.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.551 0.703 11.037 1.00 0.00 H new ATOM 553 N HIS A 36 7.774 0.318 5.011 1.00 0.00 N ATOM 554 CA HIS A 36 9.002 -0.435 4.624 1.00 0.00 C ATOM 555 C HIS A 36 9.918 0.462 3.788 1.00 0.00 C ATOM 556 O HIS A 36 10.916 0.019 3.256 1.00 0.00 O ATOM 557 CB HIS A 36 8.614 -1.664 3.800 1.00 0.00 C ATOM 558 CG HIS A 36 8.000 -2.701 4.701 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.622 -3.910 4.965 1.00 0.00 N ATOM 560 CD2 HIS A 36 6.820 -2.725 5.401 1.00 0.00 C ATOM 561 CE1 HIS A 36 7.821 -4.606 5.792 1.00 0.00 C ATOM 562 NE2 HIS A 36 6.709 -3.929 6.089 1.00 0.00 N ATOM 0 H HIS A 36 7.098 0.466 4.261 1.00 0.00 H new ATOM 0 HA HIS A 36 9.525 -0.749 5.527 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.908 -1.383 3.018 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.493 -2.074 3.303 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.089 -1.930 5.416 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.049 -5.592 6.170 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.943 -4.230 6.691 1.00 0.00 H new ATOM 570 N TYR A 37 9.590 1.718 3.669 1.00 0.00 N ATOM 571 CA TYR A 37 10.449 2.631 2.868 1.00 0.00 C ATOM 572 C TYR A 37 10.698 3.921 3.660 1.00 0.00 C ATOM 573 O TYR A 37 9.763 4.588 4.055 1.00 0.00 O ATOM 574 CB TYR A 37 9.751 2.957 1.545 1.00 0.00 C ATOM 575 CG TYR A 37 10.524 2.337 0.420 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.615 0.946 0.330 1.00 0.00 C ATOM 577 CD2 TYR A 37 11.155 3.145 -0.526 1.00 0.00 C ATOM 578 CE1 TYR A 37 11.338 0.359 -0.709 1.00 0.00 C ATOM 579 CE2 TYR A 37 11.883 2.562 -1.566 1.00 0.00 C ATOM 580 CZ TYR A 37 11.975 1.166 -1.660 1.00 0.00 C ATOM 581 OH TYR A 37 12.696 0.588 -2.685 1.00 0.00 O ATOM 0 H TYR A 37 8.767 2.150 4.090 1.00 0.00 H new ATOM 0 HA TYR A 37 11.404 2.149 2.659 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.730 2.577 1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.688 4.037 1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.125 0.324 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.081 4.220 -0.454 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.406 -0.717 -0.780 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.375 3.186 -2.297 1.00 0.00 H new ATOM 0 HH TYR A 37 12.437 -0.352 -2.778 1.00 0.00 H new ATOM 591 N PRO A 38 11.954 4.233 3.877 1.00 0.00 N ATOM 592 CA PRO A 38 12.353 5.435 4.631 1.00 0.00 C ATOM 593 C PRO A 38 12.231 6.688 3.761 1.00 0.00 C ATOM 594 O PRO A 38 12.315 7.799 4.245 1.00 0.00 O ATOM 595 CB PRO A 38 13.815 5.165 4.996 1.00 0.00 C ATOM 596 CG PRO A 38 14.334 4.127 3.974 1.00 0.00 C ATOM 597 CD PRO A 38 13.093 3.423 3.393 1.00 0.00 C ATOM 0 HA PRO A 38 11.726 5.615 5.504 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.403 6.082 4.951 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.897 4.783 6.014 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.908 4.613 3.185 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.998 3.408 4.455 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.126 3.393 2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.023 2.391 3.738 1.00 0.00 H new ATOM 605 N TYR A 39 12.032 6.524 2.482 1.00 0.00 N ATOM 606 CA TYR A 39 11.906 7.717 1.598 1.00 0.00 C ATOM 607 C TYR A 39 10.473 8.245 1.661 1.00 0.00 C ATOM 608 O TYR A 39 10.242 9.437 1.723 1.00 0.00 O ATOM 609 CB TYR A 39 12.242 7.337 0.156 1.00 0.00 C ATOM 610 CG TYR A 39 12.035 8.543 -0.730 1.00 0.00 C ATOM 611 CD1 TYR A 39 12.949 9.603 -0.690 1.00 0.00 C ATOM 612 CD2 TYR A 39 10.928 8.604 -1.585 1.00 0.00 C ATOM 613 CE1 TYR A 39 12.756 10.724 -1.504 1.00 0.00 C ATOM 614 CE2 TYR A 39 10.735 9.727 -2.401 1.00 0.00 C ATOM 615 CZ TYR A 39 11.649 10.786 -2.360 1.00 0.00 C ATOM 616 OH TYR A 39 11.459 11.894 -3.161 1.00 0.00 O ATOM 0 H TYR A 39 11.952 5.622 2.013 1.00 0.00 H new ATOM 0 HA TYR A 39 12.599 8.487 1.936 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.274 6.992 0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.608 6.514 -0.174 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.803 9.555 -0.031 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.223 7.786 -1.616 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.461 11.542 -1.473 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.881 9.775 -3.061 1.00 0.00 H new ATOM 0 HH TYR A 39 10.645 11.776 -3.694 1.00 0.00 H new ATOM 626 N TYR A 40 9.507 7.368 1.646 1.00 0.00 N ATOM 627 CA TYR A 40 8.090 7.823 1.707 1.00 0.00 C ATOM 628 C TYR A 40 7.690 8.041 3.166 1.00 0.00 C ATOM 629 O TYR A 40 7.193 7.150 3.827 1.00 0.00 O ATOM 630 CB TYR A 40 7.183 6.767 1.076 1.00 0.00 C ATOM 631 CG TYR A 40 7.128 6.981 -0.416 1.00 0.00 C ATOM 632 CD1 TYR A 40 6.943 8.269 -0.932 1.00 0.00 C ATOM 633 CD2 TYR A 40 7.262 5.892 -1.284 1.00 0.00 C ATOM 634 CE1 TYR A 40 6.893 8.467 -2.317 1.00 0.00 C ATOM 635 CE2 TYR A 40 7.212 6.088 -2.669 1.00 0.00 C ATOM 636 CZ TYR A 40 7.027 7.377 -3.184 1.00 0.00 C ATOM 637 OH TYR A 40 6.976 7.574 -4.549 1.00 0.00 O ATOM 0 H TYR A 40 9.638 6.358 1.594 1.00 0.00 H new ATOM 0 HA TYR A 40 7.985 8.759 1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.560 5.769 1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.181 6.831 1.501 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.839 9.110 -0.262 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.404 4.899 -0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.751 9.461 -2.716 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.316 5.247 -3.339 1.00 0.00 H new ATOM 0 HH TYR A 40 7.086 6.715 -5.008 1.00 0.00 H new ATOM 647 N ARG A 41 7.910 9.221 3.671 1.00 0.00 N ATOM 648 CA ARG A 41 7.552 9.511 5.089 1.00 0.00 C ATOM 649 C ARG A 41 7.057 10.953 5.194 1.00 0.00 C ATOM 650 O ARG A 41 5.870 11.214 5.206 1.00 0.00 O ATOM 651 CB ARG A 41 8.786 9.328 5.984 1.00 0.00 C ATOM 652 CG ARG A 41 10.063 9.506 5.155 1.00 0.00 C ATOM 653 CD ARG A 41 11.110 10.263 5.974 1.00 0.00 C ATOM 654 NE ARG A 41 12.129 10.841 5.053 1.00 0.00 N ATOM 655 CZ ARG A 41 12.716 11.968 5.353 1.00 0.00 C ATOM 656 NH1 ARG A 41 13.763 11.971 6.132 1.00 0.00 N ATOM 657 NH2 ARG A 41 12.257 13.091 4.873 1.00 0.00 N ATOM 0 H ARG A 41 8.324 10.002 3.162 1.00 0.00 H new ATOM 0 HA ARG A 41 6.769 8.826 5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.766 10.053 6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.772 8.338 6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.454 8.533 4.858 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.840 10.052 4.239 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.634 11.055 6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.587 9.591 6.687 1.00 0.00 H new ATOM 0 HE ARG A 41 12.368 10.356 4.188 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.123 11.093 6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.222 12.851 6.366 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.439 13.089 4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.716 13.971 5.108 1.00 0.00 H new ATOM 671 N THR A 42 7.958 11.894 5.265 1.00 0.00 N ATOM 672 CA THR A 42 7.542 13.321 5.362 1.00 0.00 C ATOM 673 C THR A 42 7.440 13.911 3.955 1.00 0.00 C ATOM 674 O THR A 42 7.377 15.112 3.776 1.00 0.00 O ATOM 675 CB THR A 42 8.582 14.102 6.169 1.00 0.00 C ATOM 676 OG1 THR A 42 9.720 14.351 5.356 1.00 0.00 O ATOM 677 CG2 THR A 42 8.996 13.289 7.397 1.00 0.00 C ATOM 0 H THR A 42 8.966 11.736 5.260 1.00 0.00 H new ATOM 0 HA THR A 42 6.574 13.388 5.859 1.00 0.00 H new ATOM 0 HB THR A 42 8.153 15.050 6.494 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.386 14.853 5.871 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.737 13.847 7.970 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.122 13.100 8.020 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.425 12.339 7.077 1.00 0.00 H new ATOM 685 N ALA A 43 7.425 13.074 2.951 1.00 0.00 N ATOM 686 CA ALA A 43 7.331 13.583 1.553 1.00 0.00 C ATOM 687 C ALA A 43 6.443 12.653 0.725 1.00 0.00 C ATOM 688 O ALA A 43 6.894 12.023 -0.209 1.00 0.00 O ATOM 689 CB ALA A 43 8.727 13.629 0.933 1.00 0.00 C ATOM 0 H ALA A 43 7.474 12.059 3.040 1.00 0.00 H new ATOM 0 HA ALA A 43 6.900 14.584 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.659 14.001 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.364 14.292 1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.155 12.627 0.927 1.00 0.00 H new ATOM 695 N ASP A 44 5.185 12.561 1.058 1.00 0.00 N ATOM 696 CA ASP A 44 4.279 11.669 0.282 1.00 0.00 C ATOM 697 C ASP A 44 3.355 12.519 -0.592 1.00 0.00 C ATOM 698 O ASP A 44 2.404 12.028 -1.167 1.00 0.00 O ATOM 699 CB ASP A 44 3.439 10.831 1.247 1.00 0.00 C ATOM 700 CG ASP A 44 4.361 10.118 2.238 1.00 0.00 C ATOM 701 OD1 ASP A 44 4.945 9.116 1.857 1.00 0.00 O ATOM 702 OD2 ASP A 44 4.467 10.584 3.360 1.00 0.00 O ATOM 0 H ASP A 44 4.747 13.063 1.831 1.00 0.00 H new ATOM 0 HA ASP A 44 4.872 11.009 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.736 11.469 1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.849 10.101 0.693 1.00 0.00 H new ATOM 707 N LYS A 45 3.623 13.793 -0.693 1.00 0.00 N ATOM 708 CA LYS A 45 2.752 14.669 -1.527 1.00 0.00 C ATOM 709 C LYS A 45 3.128 14.522 -3.006 1.00 0.00 C ATOM 710 O LYS A 45 3.788 15.365 -3.577 1.00 0.00 O ATOM 711 CB LYS A 45 2.917 16.130 -1.094 1.00 0.00 C ATOM 712 CG LYS A 45 4.381 16.562 -1.240 1.00 0.00 C ATOM 713 CD LYS A 45 4.621 17.832 -0.420 1.00 0.00 C ATOM 714 CE LYS A 45 5.584 18.753 -1.172 1.00 0.00 C ATOM 715 NZ LYS A 45 4.927 19.249 -2.414 1.00 0.00 N ATOM 0 H LYS A 45 4.404 14.263 -0.236 1.00 0.00 H new ATOM 0 HA LYS A 45 1.713 14.370 -1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.278 16.771 -1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.596 16.249 -0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.042 15.765 -0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.615 16.744 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.676 18.345 -0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.034 17.575 0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.870 19.593 -0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.499 18.215 -1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.284 20.199 -2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.139 18.603 -3.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.898 19.292 -2.269 1.00 0.00 H new ATOM 729 N GLY A 46 2.708 13.457 -3.630 1.00 0.00 N ATOM 730 CA GLY A 46 3.035 13.257 -5.071 1.00 0.00 C ATOM 731 C GLY A 46 2.433 11.934 -5.544 1.00 0.00 C ATOM 732 O GLY A 46 1.751 11.871 -6.547 1.00 0.00 O ATOM 0 H GLY A 46 2.152 12.715 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.641 14.082 -5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.116 13.250 -5.213 1.00 0.00 H new ATOM 736 N TRP A 47 2.681 10.876 -4.823 1.00 0.00 N ATOM 737 CA TRP A 47 2.129 9.553 -5.217 1.00 0.00 C ATOM 738 C TRP A 47 0.866 9.265 -4.413 1.00 0.00 C ATOM 739 O TRP A 47 0.461 8.131 -4.261 1.00 0.00 O ATOM 740 CB TRP A 47 3.168 8.463 -4.948 1.00 0.00 C ATOM 741 CG TRP A 47 3.267 8.179 -3.477 1.00 0.00 C ATOM 742 CD1 TRP A 47 3.716 9.049 -2.542 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.933 6.953 -2.764 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.691 8.430 -1.307 1.00 0.00 N ATOM 745 CE2 TRP A 47 3.218 7.137 -1.391 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.420 5.709 -3.172 1.00 0.00 C ATOM 747 CZ2 TRP A 47 3.006 6.122 -0.458 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.205 4.686 -2.235 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.502 4.890 -0.882 1.00 0.00 C ATOM 0 H TRP A 47 3.246 10.873 -3.973 1.00 0.00 H new ATOM 0 HA TRP A 47 1.885 9.566 -6.279 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.895 7.553 -5.482 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.140 8.777 -5.329 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.041 10.062 -2.731 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.987 8.875 -0.438 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.190 5.539 -4.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.230 6.287 0.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.808 3.736 -2.560 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.342 4.096 -0.167 1.00 0.00 H new ATOM 760 N GLN A 48 0.240 10.282 -3.897 1.00 0.00 N ATOM 761 CA GLN A 48 -0.996 10.060 -3.107 1.00 0.00 C ATOM 762 C GLN A 48 -2.183 9.922 -4.064 1.00 0.00 C ATOM 763 O GLN A 48 -2.801 8.880 -4.157 1.00 0.00 O ATOM 764 CB GLN A 48 -1.217 11.247 -2.169 1.00 0.00 C ATOM 765 CG GLN A 48 -2.143 10.829 -1.027 1.00 0.00 C ATOM 766 CD GLN A 48 -1.527 9.648 -0.272 1.00 0.00 C ATOM 767 OE1 GLN A 48 -2.217 8.937 0.432 1.00 0.00 O ATOM 768 NE2 GLN A 48 -0.248 9.407 -0.387 1.00 0.00 N ATOM 0 H GLN A 48 0.531 11.255 -3.988 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.902 9.150 -2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.263 11.591 -1.770 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.653 12.082 -2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.299 11.667 -0.347 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.121 10.552 -1.421 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.332 10.003 -0.978 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.170 8.623 0.114 1.00 0.00 H new ATOM 777 N ASN A 49 -2.498 10.963 -4.787 1.00 0.00 N ATOM 778 CA ASN A 49 -3.635 10.888 -5.750 1.00 0.00 C ATOM 779 C ASN A 49 -3.223 10.030 -6.948 1.00 0.00 C ATOM 780 O ASN A 49 -4.048 9.594 -7.727 1.00 0.00 O ATOM 781 CB ASN A 49 -3.994 12.295 -6.231 1.00 0.00 C ATOM 782 CG ASN A 49 -4.891 12.975 -5.196 1.00 0.00 C ATOM 783 OD1 ASN A 49 -4.425 13.410 -4.161 1.00 0.00 O ATOM 784 ND2 ASN A 49 -6.170 13.087 -5.434 1.00 0.00 N ATOM 0 H ASN A 49 -2.017 11.862 -4.753 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.501 10.443 -5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.088 12.881 -6.383 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.505 12.243 -7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.778 13.540 -4.751 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.561 12.722 -6.302 1.00 0.00 H new ATOM 791 N SER A 50 -1.951 9.789 -7.101 1.00 0.00 N ATOM 792 CA SER A 50 -1.483 8.963 -8.248 1.00 0.00 C ATOM 793 C SER A 50 -1.907 7.509 -8.036 1.00 0.00 C ATOM 794 O SER A 50 -2.189 6.795 -8.976 1.00 0.00 O ATOM 795 CB SER A 50 0.042 9.041 -8.343 1.00 0.00 C ATOM 796 OG SER A 50 0.403 9.769 -9.510 1.00 0.00 O ATOM 0 H SER A 50 -1.215 10.128 -6.481 1.00 0.00 H new ATOM 0 HA SER A 50 -1.925 9.339 -9.171 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.449 9.528 -7.456 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.467 8.038 -8.380 1.00 0.00 H new ATOM 0 HG SER A 50 1.331 9.565 -9.749 1.00 0.00 H new ATOM 802 N ILE A 51 -1.952 7.065 -6.810 1.00 0.00 N ATOM 803 CA ILE A 51 -2.353 5.653 -6.542 1.00 0.00 C ATOM 804 C ILE A 51 -3.832 5.460 -6.870 1.00 0.00 C ATOM 805 O ILE A 51 -4.183 4.638 -7.683 1.00 0.00 O ATOM 806 CB ILE A 51 -2.111 5.320 -5.062 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.600 5.254 -4.747 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.746 3.968 -4.722 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.228 4.999 -6.015 1.00 0.00 C ATOM 0 H ILE A 51 -1.729 7.618 -5.982 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.757 4.989 -7.168 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.564 6.110 -4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.282 6.189 -4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.412 4.461 -4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.571 3.738 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.819 4.012 -4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.301 3.191 -5.343 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.286 4.959 -5.757 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.073 4.051 -6.462 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.059 5.806 -6.728 1.00 0.00 H new ATOM 821 N ARG A 52 -4.704 6.197 -6.239 1.00 0.00 N ATOM 822 CA ARG A 52 -6.160 6.022 -6.517 1.00 0.00 C ATOM 823 C ARG A 52 -6.389 5.998 -8.026 1.00 0.00 C ATOM 824 O ARG A 52 -7.247 5.297 -8.525 1.00 0.00 O ATOM 825 CB ARG A 52 -6.936 7.192 -5.907 1.00 0.00 C ATOM 826 CG ARG A 52 -8.407 7.101 -6.315 1.00 0.00 C ATOM 827 CD ARG A 52 -9.224 8.110 -5.504 1.00 0.00 C ATOM 828 NE ARG A 52 -9.673 9.217 -6.395 1.00 0.00 N ATOM 829 CZ ARG A 52 -10.616 10.029 -6.003 1.00 0.00 C ATOM 830 NH1 ARG A 52 -10.686 10.391 -4.751 1.00 0.00 N ATOM 831 NH2 ARG A 52 -11.488 10.482 -6.862 1.00 0.00 N ATOM 0 H ARG A 52 -4.475 6.910 -5.546 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.505 5.085 -6.080 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.848 7.173 -4.821 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.512 8.138 -6.245 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.513 7.304 -7.381 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.781 6.092 -6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.087 7.618 -5.055 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.622 8.508 -4.687 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.243 9.340 -7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.004 10.039 -4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.423 11.026 -4.444 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.433 10.201 -7.841 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.225 11.117 -6.554 1.00 0.00 H new ATOM 845 N HIS A 53 -5.627 6.757 -8.755 1.00 0.00 N ATOM 846 CA HIS A 53 -5.787 6.784 -10.233 1.00 0.00 C ATOM 847 C HIS A 53 -5.189 5.509 -10.843 1.00 0.00 C ATOM 848 O HIS A 53 -5.695 4.974 -11.807 1.00 0.00 O ATOM 849 CB HIS A 53 -5.053 8.010 -10.783 1.00 0.00 C ATOM 850 CG HIS A 53 -5.133 8.021 -12.284 1.00 0.00 C ATOM 851 ND1 HIS A 53 -4.082 7.596 -13.081 1.00 0.00 N ATOM 852 CD2 HIS A 53 -6.125 8.412 -13.149 1.00 0.00 C ATOM 853 CE1 HIS A 53 -4.462 7.740 -14.364 1.00 0.00 C ATOM 854 NE2 HIS A 53 -5.699 8.234 -14.461 1.00 0.00 N ATOM 0 H HIS A 53 -4.894 7.365 -8.389 1.00 0.00 H new ATOM 0 HA HIS A 53 -6.845 6.836 -10.490 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.495 8.921 -10.380 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.010 7.994 -10.465 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.090 8.799 -12.855 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.842 7.487 -15.212 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.220 8.437 -15.314 1.00 0.00 H new ATOM 862 N ASN A 54 -4.103 5.036 -10.298 1.00 0.00 N ATOM 863 CA ASN A 54 -3.444 3.815 -10.851 1.00 0.00 C ATOM 864 C ASN A 54 -4.254 2.544 -10.559 1.00 0.00 C ATOM 865 O ASN A 54 -4.181 1.584 -11.292 1.00 0.00 O ATOM 866 CB ASN A 54 -2.052 3.680 -10.233 1.00 0.00 C ATOM 867 CG ASN A 54 -1.055 4.490 -11.062 1.00 0.00 C ATOM 868 OD1 ASN A 54 -0.879 4.240 -12.237 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.395 5.461 -10.495 1.00 0.00 N ATOM 0 H ASN A 54 -3.639 5.445 -9.487 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.378 3.926 -11.933 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.062 4.037 -9.203 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.753 2.632 -10.205 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.270 6.011 -11.039 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.544 5.670 -9.508 1.00 0.00 H new ATOM 876 N LEU A 55 -5.013 2.505 -9.503 1.00 0.00 N ATOM 877 CA LEU A 55 -5.787 1.261 -9.214 1.00 0.00 C ATOM 878 C LEU A 55 -6.967 1.158 -10.184 1.00 0.00 C ATOM 879 O LEU A 55 -7.584 0.119 -10.314 1.00 0.00 O ATOM 880 CB LEU A 55 -6.302 1.267 -7.767 1.00 0.00 C ATOM 881 CG LEU A 55 -5.391 2.128 -6.888 1.00 0.00 C ATOM 882 CD1 LEU A 55 -5.794 1.980 -5.424 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.938 1.681 -7.070 1.00 0.00 C ATOM 0 H LEU A 55 -5.133 3.266 -8.834 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.130 0.401 -9.343 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.321 1.654 -7.737 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.336 0.248 -7.381 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.490 3.173 -7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.142 2.595 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.827 2.303 -5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.701 0.936 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.288 2.293 -6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.840 0.635 -6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.650 1.796 -8.115 1.00 0.00 H new ATOM 895 N SER A 56 -7.287 2.223 -10.868 1.00 0.00 N ATOM 896 CA SER A 56 -8.428 2.180 -11.828 1.00 0.00 C ATOM 897 C SER A 56 -7.932 1.782 -13.223 1.00 0.00 C ATOM 898 O SER A 56 -8.480 0.904 -13.860 1.00 0.00 O ATOM 899 CB SER A 56 -9.088 3.558 -11.898 1.00 0.00 C ATOM 900 OG SER A 56 -9.880 3.639 -13.075 1.00 0.00 O ATOM 0 H SER A 56 -6.808 3.121 -10.804 1.00 0.00 H new ATOM 0 HA SER A 56 -9.152 1.441 -11.484 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.708 3.722 -11.017 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.327 4.339 -11.903 1.00 0.00 H new ATOM 0 HG SER A 56 -10.306 4.520 -13.123 1.00 0.00 H new ATOM 906 N LEU A 57 -6.908 2.430 -13.712 1.00 0.00 N ATOM 907 CA LEU A 57 -6.392 2.098 -15.072 1.00 0.00 C ATOM 908 C LEU A 57 -5.536 0.832 -15.016 1.00 0.00 C ATOM 909 O LEU A 57 -5.538 0.030 -15.929 1.00 0.00 O ATOM 910 CB LEU A 57 -5.534 3.254 -15.585 1.00 0.00 C ATOM 911 CG LEU A 57 -6.421 4.465 -15.875 1.00 0.00 C ATOM 912 CD1 LEU A 57 -7.030 4.973 -14.569 1.00 0.00 C ATOM 913 CD2 LEU A 57 -5.573 5.571 -16.507 1.00 0.00 C ATOM 0 H LEU A 57 -6.407 3.175 -13.228 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.237 1.933 -15.740 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.777 3.514 -14.845 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.005 2.954 -16.489 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.219 4.180 -16.560 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.663 5.837 -14.774 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.629 4.183 -14.116 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.233 5.262 -13.884 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.201 6.437 -16.716 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.777 5.857 -15.819 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.136 5.208 -17.437 1.00 0.00 H new ATOM 925 N ASN A 58 -4.796 0.651 -13.960 1.00 0.00 N ATOM 926 CA ASN A 58 -3.932 -0.559 -13.857 1.00 0.00 C ATOM 927 C ASN A 58 -4.741 -1.790 -14.265 1.00 0.00 C ATOM 928 O ASN A 58 -5.751 -2.110 -13.668 1.00 0.00 O ATOM 929 CB ASN A 58 -3.427 -0.714 -12.422 1.00 0.00 C ATOM 930 CG ASN A 58 -2.221 0.205 -12.208 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.252 -0.180 -11.584 1.00 0.00 O ATOM 932 ND2 ASN A 58 -2.239 1.413 -12.706 1.00 0.00 N ATOM 0 H ASN A 58 -4.751 1.287 -13.164 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.074 -0.454 -14.521 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.219 -0.464 -11.716 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.147 -1.750 -12.233 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.440 2.032 -12.571 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.052 1.737 -13.230 1.00 0.00 H new ATOM 939 N ARG A 59 -4.312 -2.469 -15.289 1.00 0.00 N ATOM 940 CA ARG A 59 -5.056 -3.669 -15.759 1.00 0.00 C ATOM 941 C ARG A 59 -5.042 -4.758 -14.686 1.00 0.00 C ATOM 942 O ARG A 59 -5.945 -5.567 -14.605 1.00 0.00 O ATOM 943 CB ARG A 59 -4.398 -4.203 -17.034 1.00 0.00 C ATOM 944 CG ARG A 59 -3.952 -3.027 -17.905 1.00 0.00 C ATOM 945 CD ARG A 59 -4.553 -3.169 -19.305 1.00 0.00 C ATOM 946 NE ARG A 59 -3.905 -2.193 -20.227 1.00 0.00 N ATOM 947 CZ ARG A 59 -4.302 -2.104 -21.467 1.00 0.00 C ATOM 948 NH1 ARG A 59 -4.509 -3.188 -22.165 1.00 0.00 N ATOM 949 NH2 ARG A 59 -4.493 -0.932 -22.010 1.00 0.00 N ATOM 0 H ARG A 59 -3.473 -2.244 -15.824 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.089 -3.389 -15.962 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.542 -4.828 -16.780 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.099 -4.831 -17.583 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.271 -2.087 -17.455 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.864 -2.999 -17.966 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.408 -4.185 -19.673 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.628 -2.993 -19.270 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.151 -1.595 -19.889 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.360 -4.104 -21.741 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.819 -3.119 -23.134 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.332 -0.085 -21.465 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.803 -0.863 -22.979 1.00 0.00 H new ATOM 963 N TYR A 60 -4.027 -4.804 -13.868 1.00 0.00 N ATOM 964 CA TYR A 60 -3.985 -5.865 -12.824 1.00 0.00 C ATOM 965 C TYR A 60 -4.484 -5.326 -11.483 1.00 0.00 C ATOM 966 O TYR A 60 -4.159 -5.853 -10.440 1.00 0.00 O ATOM 967 CB TYR A 60 -2.563 -6.390 -12.658 1.00 0.00 C ATOM 968 CG TYR A 60 -1.566 -5.256 -12.675 1.00 0.00 C ATOM 969 CD1 TYR A 60 -1.540 -4.314 -11.637 1.00 0.00 C ATOM 970 CD2 TYR A 60 -0.651 -5.159 -13.728 1.00 0.00 C ATOM 971 CE1 TYR A 60 -0.599 -3.279 -11.661 1.00 0.00 C ATOM 972 CE2 TYR A 60 0.287 -4.124 -13.751 1.00 0.00 C ATOM 973 CZ TYR A 60 0.314 -3.183 -12.717 1.00 0.00 C ATOM 974 OH TYR A 60 1.240 -2.159 -12.739 1.00 0.00 O ATOM 0 H TYR A 60 -3.235 -4.162 -13.876 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.637 -6.678 -13.145 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.480 -6.938 -11.720 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.334 -7.093 -13.459 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.244 -4.387 -10.821 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.670 -5.887 -14.526 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.577 -2.552 -10.862 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.991 -4.051 -14.567 1.00 0.00 H new ATOM 0 HH TYR A 60 1.798 -2.240 -13.541 1.00 0.00 H new ATOM 984 N PHE A 61 -5.281 -4.297 -11.500 1.00 0.00 N ATOM 985 CA PHE A 61 -5.812 -3.742 -10.222 1.00 0.00 C ATOM 986 C PHE A 61 -7.318 -3.523 -10.380 1.00 0.00 C ATOM 987 O PHE A 61 -7.786 -3.107 -11.422 1.00 0.00 O ATOM 988 CB PHE A 61 -5.118 -2.413 -9.905 1.00 0.00 C ATOM 989 CG PHE A 61 -3.724 -2.653 -9.343 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.367 -3.893 -8.777 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.778 -1.620 -9.391 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.077 -4.087 -8.270 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.494 -1.821 -8.883 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.144 -3.052 -8.325 1.00 0.00 C ATOM 0 H PHE A 61 -5.589 -3.814 -12.344 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.621 -4.436 -9.403 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.052 -1.807 -10.809 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.713 -1.849 -9.186 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.090 -4.695 -8.734 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.043 -0.666 -9.822 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.804 -5.038 -7.836 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.769 -1.022 -8.922 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.148 -3.203 -7.935 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.086 -3.817 -9.366 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.563 -3.640 -9.481 1.00 0.00 C ATOM 1006 C ILE A 62 -10.171 -3.413 -8.091 1.00 0.00 C ATOM 1007 O ILE A 62 -9.556 -3.689 -7.081 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.179 -4.894 -10.142 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.639 -5.902 -9.079 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.136 -5.569 -11.038 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -11.344 -7.075 -9.763 1.00 0.00 C ATOM 0 H ILE A 62 -7.757 -4.170 -8.467 1.00 0.00 H new ATOM 0 HA ILE A 62 -9.780 -2.769 -10.100 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.039 -4.579 -10.732 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.783 -6.261 -8.508 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.314 -5.419 -8.372 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.573 -6.453 -11.503 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.816 -4.872 -11.813 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.276 -5.863 -10.437 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.671 -7.792 -9.010 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.209 -6.708 -10.315 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.654 -7.562 -10.452 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.376 -2.915 -8.035 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.025 -2.671 -6.716 1.00 0.00 C ATOM 1025 C LYS A 63 -13.012 -3.800 -6.406 1.00 0.00 C ATOM 1026 O LYS A 63 -13.379 -4.572 -7.270 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.783 -1.343 -6.764 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.798 -0.184 -6.613 1.00 0.00 C ATOM 1029 CD LYS A 63 -12.505 1.131 -6.947 1.00 0.00 C ATOM 1030 CE LYS A 63 -13.729 1.297 -6.047 1.00 0.00 C ATOM 1031 NZ LYS A 63 -14.955 1.406 -6.887 1.00 0.00 N ATOM 0 H LYS A 63 -11.940 -2.666 -8.848 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.260 -2.635 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.322 -1.255 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.526 -1.308 -5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.410 -0.153 -5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.944 -0.329 -7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.822 1.969 -6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.807 1.137 -7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.814 0.447 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.620 2.187 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.787 1.519 -6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.873 2.231 -7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.061 0.544 -7.459 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.451 -3.893 -5.179 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.423 -4.962 -4.811 1.00 0.00 C ATOM 1047 C VAL A 64 -15.635 -4.325 -4.122 1.00 0.00 C ATOM 1048 O VAL A 64 -15.522 -3.274 -3.524 1.00 0.00 O ATOM 1049 CB VAL A 64 -13.760 -5.956 -3.855 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -12.455 -6.465 -4.468 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -13.462 -5.263 -2.522 1.00 0.00 C ATOM 0 H VAL A 64 -13.178 -3.274 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.743 -5.487 -5.711 1.00 0.00 H new ATOM 0 HB VAL A 64 -14.432 -6.797 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.984 -7.173 -3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.667 -6.961 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.782 -5.625 -4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.990 -5.971 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.791 -4.421 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.393 -4.903 -2.083 1.00 0.00 H new ATOM 1218 N PHE A 76 -13.094 -0.582 -0.273 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.942 -1.527 -0.203 1.00 0.00 C ATOM 1220 C PHE A 76 -11.595 -2.009 -1.610 1.00 0.00 C ATOM 1221 O PHE A 76 -12.432 -2.525 -2.323 1.00 0.00 O ATOM 1222 CB PHE A 76 -12.320 -2.730 0.664 1.00 0.00 C ATOM 1223 CG PHE A 76 -11.147 -3.130 1.526 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -9.861 -3.202 0.975 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -11.346 -3.427 2.879 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -8.778 -3.573 1.781 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -10.261 -3.796 3.684 1.00 0.00 C ATOM 1228 CZ PHE A 76 -8.977 -3.869 3.134 1.00 0.00 C ATOM 0 HA PHE A 76 -11.082 -1.019 0.233 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.176 -2.482 1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.619 -3.566 0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.705 -2.972 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.338 -3.372 3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.786 -3.631 1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.416 -4.024 4.728 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.139 -4.154 3.753 1.00 0.00 H new ATOM 1238 N TRP A 77 -10.366 -1.851 -2.015 1.00 0.00 N ATOM 1239 CA TRP A 77 -9.970 -2.307 -3.375 1.00 0.00 C ATOM 1240 C TRP A 77 -8.772 -3.258 -3.256 1.00 0.00 C ATOM 1241 O TRP A 77 -8.085 -3.280 -2.254 1.00 0.00 O ATOM 1242 CB TRP A 77 -9.622 -1.083 -4.241 1.00 0.00 C ATOM 1243 CG TRP A 77 -8.164 -0.762 -4.152 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -7.591 0.024 -3.214 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -7.095 -1.203 -5.031 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.234 0.092 -3.462 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -5.882 -0.647 -4.573 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -7.064 -2.022 -6.169 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -4.678 -0.890 -5.224 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -5.854 -2.273 -6.829 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -4.663 -1.707 -6.357 1.00 0.00 C ATOM 0 H TRP A 77 -9.620 -1.426 -1.464 1.00 0.00 H new ATOM 0 HA TRP A 77 -10.792 -2.842 -3.851 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -9.893 -1.278 -5.279 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -10.208 -0.224 -3.915 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.108 0.517 -2.404 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -5.574 0.623 -2.894 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.978 -2.462 -6.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -3.762 -0.451 -4.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.840 -2.905 -7.705 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -3.732 -1.902 -6.869 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.520 -4.048 -4.264 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.371 -4.995 -4.190 1.00 0.00 C ATOM 1264 C ARG A 78 -6.818 -5.253 -5.589 1.00 0.00 C ATOM 1265 O ARG A 78 -7.261 -4.675 -6.559 1.00 0.00 O ATOM 1266 CB ARG A 78 -7.849 -6.317 -3.592 1.00 0.00 C ATOM 1267 CG ARG A 78 -8.841 -6.983 -4.547 1.00 0.00 C ATOM 1268 CD ARG A 78 -9.456 -8.209 -3.867 1.00 0.00 C ATOM 1269 NE ARG A 78 -9.676 -9.282 -4.879 1.00 0.00 N ATOM 1270 CZ ARG A 78 -9.601 -10.536 -4.526 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -10.623 -11.118 -3.960 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -8.502 -11.210 -4.737 1.00 0.00 N ATOM 0 H ARG A 78 -9.057 -4.079 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.589 -4.562 -3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.999 -6.977 -3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.321 -6.141 -2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.624 -6.277 -4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.335 -7.279 -5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.796 -8.569 -3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.401 -7.940 -3.395 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.885 -9.036 -5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.481 -10.593 -3.793 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.563 -12.098 -3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.702 -10.756 -5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.444 -12.190 -4.461 1.00 0.00 H new ATOM 1286 N ILE A 79 -5.859 -6.133 -5.703 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.291 -6.438 -7.049 1.00 0.00 C ATOM 1288 C ILE A 79 -5.966 -7.697 -7.593 1.00 0.00 C ATOM 1289 O ILE A 79 -6.476 -8.505 -6.844 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.778 -6.659 -6.948 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.490 -8.043 -6.353 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.172 -5.585 -6.049 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -2.026 -8.113 -5.905 1.00 0.00 C ATOM 0 H ILE A 79 -5.446 -6.651 -4.927 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.472 -5.599 -7.721 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.338 -6.600 -7.944 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.150 -8.231 -5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.692 -8.818 -7.093 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.095 -5.738 -5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.370 -4.601 -6.474 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.617 -5.648 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.822 -9.097 -5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.375 -7.944 -6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.839 -7.348 -5.151 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.981 -7.876 -8.886 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.633 -9.092 -9.444 1.00 0.00 C ATOM 1307 C ASP A 80 -5.940 -10.333 -8.872 1.00 0.00 C ATOM 1308 O ASP A 80 -4.773 -10.289 -8.536 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.524 -9.084 -10.970 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.899 -9.366 -11.580 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -8.886 -9.056 -10.934 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -7.941 -9.886 -12.683 1.00 0.00 O ATOM 0 H ASP A 80 -5.575 -7.240 -9.572 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.688 -9.105 -9.171 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.153 -8.119 -11.314 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.807 -9.837 -11.298 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.694 -11.394 -8.754 1.00 0.00 N ATOM 1318 CA PRO A 81 -6.197 -12.665 -8.194 1.00 0.00 C ATOM 1319 C PRO A 81 -5.368 -13.449 -9.219 1.00 0.00 C ATOM 1320 O PRO A 81 -4.359 -14.040 -8.886 1.00 0.00 O ATOM 1321 CB PRO A 81 -7.482 -13.421 -7.839 1.00 0.00 C ATOM 1322 CG PRO A 81 -8.605 -12.813 -8.713 1.00 0.00 C ATOM 1323 CD PRO A 81 -8.111 -11.428 -9.169 1.00 0.00 C ATOM 0 HA PRO A 81 -5.534 -12.516 -7.342 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.372 -14.487 -8.036 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.715 -13.315 -6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.815 -13.451 -9.572 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.532 -12.726 -8.146 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -8.213 -11.304 -10.247 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.683 -10.627 -8.700 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.783 -13.475 -10.457 1.00 0.00 N ATOM 1332 CA ALA A 82 -5.011 -14.242 -11.478 1.00 0.00 C ATOM 1333 C ALA A 82 -3.959 -13.346 -12.125 1.00 0.00 C ATOM 1334 O ALA A 82 -3.345 -13.707 -13.110 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.964 -14.766 -12.552 1.00 0.00 C ATOM 0 H ALA A 82 -6.617 -13.002 -10.804 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.513 -15.079 -10.989 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.399 -15.326 -13.297 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.706 -15.419 -12.093 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.467 -13.927 -13.033 1.00 0.00 H new ATOM 1341 N SER A 83 -3.726 -12.191 -11.576 1.00 0.00 N ATOM 1342 CA SER A 83 -2.696 -11.299 -12.158 1.00 0.00 C ATOM 1343 C SER A 83 -1.651 -11.008 -11.093 1.00 0.00 C ATOM 1344 O SER A 83 -0.638 -10.424 -11.367 1.00 0.00 O ATOM 1345 CB SER A 83 -3.330 -9.983 -12.611 1.00 0.00 C ATOM 1346 OG SER A 83 -4.147 -10.219 -13.750 1.00 0.00 O ATOM 0 H SER A 83 -4.204 -11.828 -10.751 1.00 0.00 H new ATOM 0 HA SER A 83 -2.239 -11.785 -13.020 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.926 -9.557 -11.804 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.554 -9.256 -12.851 1.00 0.00 H new ATOM 0 HG SER A 83 -4.555 -9.377 -14.040 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.891 -11.407 -9.875 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.904 -11.127 -8.797 1.00 0.00 C ATOM 1354 C GLU A 84 0.447 -11.739 -9.146 1.00 0.00 C ATOM 1355 O GLU A 84 1.469 -11.113 -8.976 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.406 -11.719 -7.478 1.00 0.00 C ATOM 1357 CG GLU A 84 -0.392 -11.425 -6.371 1.00 0.00 C ATOM 1358 CD GLU A 84 0.310 -12.721 -5.963 1.00 0.00 C ATOM 1359 OE1 GLU A 84 0.624 -13.504 -6.843 1.00 0.00 O ATOM 1360 OE2 GLU A 84 0.520 -12.909 -4.775 1.00 0.00 O ATOM 0 H GLU A 84 -2.726 -11.914 -9.581 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.788 -10.048 -8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.376 -11.293 -7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.548 -12.795 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.340 -10.696 -6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.895 -10.985 -5.510 1.00 0.00 H new ATOM 1367 N ALA A 85 0.475 -12.947 -9.632 1.00 0.00 N ATOM 1368 CA ALA A 85 1.791 -13.562 -9.977 1.00 0.00 C ATOM 1369 C ALA A 85 2.460 -12.748 -11.089 1.00 0.00 C ATOM 1370 O ALA A 85 3.658 -12.820 -11.289 1.00 0.00 O ATOM 1371 CB ALA A 85 1.574 -15.000 -10.452 1.00 0.00 C ATOM 0 H ALA A 85 -0.343 -13.531 -9.805 1.00 0.00 H new ATOM 0 HA ALA A 85 2.433 -13.566 -9.096 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.535 -15.449 -10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.100 -15.578 -9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.932 -14.999 -11.333 1.00 0.00 H new ATOM 1377 N LYS A 86 1.699 -11.978 -11.814 1.00 0.00 N ATOM 1378 CA LYS A 86 2.288 -11.162 -12.916 1.00 0.00 C ATOM 1379 C LYS A 86 2.719 -9.792 -12.379 1.00 0.00 C ATOM 1380 O LYS A 86 3.859 -9.395 -12.513 1.00 0.00 O ATOM 1381 CB LYS A 86 1.242 -10.967 -14.014 1.00 0.00 C ATOM 1382 CG LYS A 86 1.941 -10.613 -15.327 1.00 0.00 C ATOM 1383 CD LYS A 86 0.900 -10.162 -16.354 1.00 0.00 C ATOM 1384 CE LYS A 86 0.096 -8.991 -15.788 1.00 0.00 C ATOM 1385 NZ LYS A 86 -1.291 -9.442 -15.482 1.00 0.00 N ATOM 0 H LYS A 86 0.691 -11.877 -11.692 1.00 0.00 H new ATOM 0 HA LYS A 86 3.158 -11.679 -13.320 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.654 -11.877 -14.136 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.548 -10.174 -13.734 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.671 -9.820 -15.161 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.489 -11.477 -15.704 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.393 -9.864 -17.280 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.234 -10.989 -16.599 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.574 -8.611 -14.885 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.073 -8.171 -16.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.786 -8.702 -14.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.801 -9.624 -16.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.256 -10.315 -14.918 1.00 0.00 H new ATOM 1399 N LEU A 87 1.814 -9.064 -11.782 1.00 0.00 N ATOM 1400 CA LEU A 87 2.160 -7.721 -11.247 1.00 0.00 C ATOM 1401 C LEU A 87 3.352 -7.830 -10.314 1.00 0.00 C ATOM 1402 O LEU A 87 4.351 -7.158 -10.473 1.00 0.00 O ATOM 1403 CB LEU A 87 0.970 -7.140 -10.471 1.00 0.00 C ATOM 1404 CG LEU A 87 0.179 -8.241 -9.753 1.00 0.00 C ATOM 1405 CD1 LEU A 87 0.151 -7.959 -8.257 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -1.263 -8.250 -10.258 1.00 0.00 C ATOM 0 H LEU A 87 0.844 -9.346 -11.642 1.00 0.00 H new ATOM 0 HA LEU A 87 2.405 -7.065 -12.083 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.329 -6.413 -9.742 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.312 -6.606 -11.157 1.00 0.00 H new ATOM 0 HG LEU A 87 0.657 -9.201 -9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.412 -8.743 -7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.170 -7.937 -7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.326 -6.996 -8.077 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.823 -9.033 -9.746 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.725 -7.283 -10.057 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.271 -8.440 -11.331 1.00 0.00 H new ATOM 1418 N VAL A 88 3.249 -8.669 -9.340 1.00 0.00 N ATOM 1419 CA VAL A 88 4.362 -8.838 -8.385 1.00 0.00 C ATOM 1420 C VAL A 88 5.694 -8.898 -9.132 1.00 0.00 C ATOM 1421 O VAL A 88 6.720 -8.505 -8.621 1.00 0.00 O ATOM 1422 CB VAL A 88 4.169 -10.144 -7.661 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.942 -10.061 -6.750 1.00 0.00 C ATOM 1424 CG2 VAL A 88 3.977 -11.251 -8.697 1.00 0.00 C ATOM 0 H VAL A 88 2.432 -9.253 -9.161 1.00 0.00 H new ATOM 0 HA VAL A 88 4.373 -7.998 -7.691 1.00 0.00 H new ATOM 0 HB VAL A 88 5.042 -10.360 -7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.810 -11.010 -6.230 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.084 -9.264 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.057 -9.850 -7.350 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.836 -12.205 -8.188 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.100 -11.031 -9.306 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.858 -11.308 -9.336 1.00 0.00 H new ATOM 1434 N GLU A 89 5.691 -9.401 -10.330 1.00 0.00 N ATOM 1435 CA GLU A 89 6.968 -9.495 -11.089 1.00 0.00 C ATOM 1436 C GLU A 89 7.615 -8.113 -11.116 1.00 0.00 C ATOM 1437 O GLU A 89 8.764 -7.948 -10.755 1.00 0.00 O ATOM 1438 CB GLU A 89 6.688 -9.960 -12.520 1.00 0.00 C ATOM 1439 CG GLU A 89 6.118 -11.380 -12.493 1.00 0.00 C ATOM 1440 CD GLU A 89 7.177 -12.363 -12.994 1.00 0.00 C ATOM 1441 OE1 GLU A 89 8.346 -12.126 -12.737 1.00 0.00 O ATOM 1442 OE2 GLU A 89 6.802 -13.336 -13.628 1.00 0.00 O ATOM 0 H GLU A 89 4.865 -9.750 -10.817 1.00 0.00 H new ATOM 0 HA GLU A 89 7.634 -10.213 -10.611 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.983 -9.283 -13.002 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.606 -9.936 -13.108 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.813 -11.642 -11.480 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.227 -11.438 -13.119 1.00 0.00 H new ATOM 1449 N GLN A 90 6.882 -7.114 -11.514 1.00 0.00 N ATOM 1450 CA GLN A 90 7.454 -5.742 -11.530 1.00 0.00 C ATOM 1451 C GLN A 90 7.577 -5.249 -10.086 1.00 0.00 C ATOM 1452 O GLN A 90 8.300 -4.316 -9.797 1.00 0.00 O ATOM 1453 CB GLN A 90 6.528 -4.805 -12.312 1.00 0.00 C ATOM 1454 CG GLN A 90 6.157 -5.448 -13.649 1.00 0.00 C ATOM 1455 CD GLN A 90 5.977 -4.358 -14.708 1.00 0.00 C ATOM 1456 OE1 GLN A 90 4.962 -3.690 -14.744 1.00 0.00 O ATOM 1457 NE2 GLN A 90 6.928 -4.150 -15.578 1.00 0.00 N ATOM 0 H GLN A 90 5.914 -7.188 -11.828 1.00 0.00 H new ATOM 0 HA GLN A 90 8.433 -5.754 -12.008 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.627 -4.601 -11.733 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.022 -3.848 -12.482 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.936 -6.145 -13.958 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.237 -6.024 -13.545 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.779 -4.711 -15.547 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.820 -3.426 -16.289 1.00 0.00 H new ATOM 1466 N ALA A 91 6.872 -5.872 -9.175 1.00 0.00 N ATOM 1467 CA ALA A 91 6.945 -5.441 -7.749 1.00 0.00 C ATOM 1468 C ALA A 91 8.359 -5.667 -7.209 1.00 0.00 C ATOM 1469 O ALA A 91 8.987 -4.764 -6.690 1.00 0.00 O ATOM 1470 CB ALA A 91 5.945 -6.236 -6.913 1.00 0.00 C ATOM 0 H ALA A 91 6.250 -6.659 -9.359 1.00 0.00 H new ATOM 0 HA ALA A 91 6.701 -4.380 -7.687 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.004 -5.916 -5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.937 -6.062 -7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.179 -7.299 -6.979 1.00 0.00 H new ATOM 1476 N PHE A 92 8.868 -6.865 -7.323 1.00 0.00 N ATOM 1477 CA PHE A 92 10.241 -7.145 -6.815 1.00 0.00 C ATOM 1478 C PHE A 92 11.266 -6.451 -7.712 1.00 0.00 C ATOM 1479 O PHE A 92 12.371 -6.163 -7.299 1.00 0.00 O ATOM 1480 CB PHE A 92 10.494 -8.654 -6.827 1.00 0.00 C ATOM 1481 CG PHE A 92 9.336 -9.368 -6.172 1.00 0.00 C ATOM 1482 CD1 PHE A 92 8.946 -9.021 -4.873 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.655 -10.377 -6.863 1.00 0.00 C ATOM 1484 CE1 PHE A 92 7.872 -9.683 -4.265 1.00 0.00 C ATOM 1485 CE2 PHE A 92 7.582 -11.039 -6.256 1.00 0.00 C ATOM 1486 CZ PHE A 92 7.190 -10.693 -4.956 1.00 0.00 C ATOM 0 H PHE A 92 8.391 -7.661 -7.746 1.00 0.00 H new ATOM 0 HA PHE A 92 10.334 -6.770 -5.796 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.617 -9.004 -7.852 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.420 -8.882 -6.299 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.473 -8.243 -4.340 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.958 -10.645 -7.865 1.00 0.00 H new ATOM 0 HE1 PHE A 92 7.570 -9.415 -3.263 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.056 -11.817 -6.790 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.363 -11.205 -4.487 1.00 0.00 H new ATOM 1496 N ARG A 93 10.908 -6.177 -8.936 1.00 0.00 N ATOM 1497 CA ARG A 93 11.864 -5.498 -9.854 1.00 0.00 C ATOM 1498 C ARG A 93 12.087 -4.063 -9.375 1.00 0.00 C ATOM 1499 O ARG A 93 11.244 -3.478 -8.726 1.00 0.00 O ATOM 1500 CB ARG A 93 11.293 -5.483 -11.272 1.00 0.00 C ATOM 1501 CG ARG A 93 12.333 -4.906 -12.235 1.00 0.00 C ATOM 1502 CD ARG A 93 11.920 -3.491 -12.649 1.00 0.00 C ATOM 1503 NE ARG A 93 10.549 -3.523 -13.233 1.00 0.00 N ATOM 1504 CZ ARG A 93 9.871 -2.415 -13.369 1.00 0.00 C ATOM 1505 NH1 ARG A 93 9.835 -1.549 -12.394 1.00 0.00 N ATOM 1506 NH2 ARG A 93 9.230 -2.173 -14.478 1.00 0.00 N ATOM 0 H ARG A 93 9.996 -6.394 -9.339 1.00 0.00 H new ATOM 0 HA ARG A 93 12.813 -6.035 -9.856 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.021 -6.494 -11.577 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.382 -4.885 -11.302 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.313 -4.885 -11.758 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.421 -5.542 -13.116 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.943 -2.827 -11.785 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.627 -3.093 -13.376 1.00 0.00 H new ATOM 0 HE ARG A 93 10.140 -4.410 -13.526 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.336 -1.737 -11.526 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.306 -0.684 -12.500 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.258 -2.849 -15.241 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.701 -1.307 -14.583 1.00 0.00 H new ATOM 1520 N LYS A 94 13.217 -3.491 -9.689 1.00 0.00 N ATOM 1521 CA LYS A 94 13.489 -2.095 -9.246 1.00 0.00 C ATOM 1522 C LYS A 94 13.831 -1.229 -10.460 1.00 0.00 C ATOM 1523 O LYS A 94 14.012 -1.722 -11.556 1.00 0.00 O ATOM 1524 CB LYS A 94 14.669 -2.090 -8.271 1.00 0.00 C ATOM 1525 CG LYS A 94 14.413 -3.106 -7.155 1.00 0.00 C ATOM 1526 CD LYS A 94 15.149 -4.410 -7.471 1.00 0.00 C ATOM 1527 CE LYS A 94 16.113 -4.741 -6.331 1.00 0.00 C ATOM 1528 NZ LYS A 94 15.786 -6.086 -5.778 1.00 0.00 N ATOM 0 H LYS A 94 13.962 -3.929 -10.232 1.00 0.00 H new ATOM 0 HA LYS A 94 12.604 -1.694 -8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 94 15.591 -2.337 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 94 14.801 -1.094 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 94 14.754 -2.706 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.344 -3.294 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 94 14.433 -5.221 -7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.697 -4.313 -8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 94 17.141 -4.725 -6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.040 -3.986 -5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.442 -6.311 -5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.810 -6.085 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.878 -6.801 -6.528 1.00 0.00 H new