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= -4.2! C(o=-8.5!,f=-11!) USER MOD Set 1.2: A 58 ASN : amide:sc= -4.35! C(o=-8.5!,f=-12!) USER MOD Set 2.1: A 10 GLN : amide:sc= -1.84! C(o=-2.4!,f=-11!) USER MOD Set 2.2: A 14 GLN : amide:sc= -0.58 K(o=-2.4,f=-7.5!) USER MOD Set 3.1: A 8 TYR OH : rot 33:sc= -1.54! USER MOD Set 3.2: A 40 TYR OH : rot 30:sc= 0.451 USER MOD Set 4.1: A 6 TYR OH : rot 30:sc= -0.441 USER MOD Set 4.2: A 37 TYR OH : rot -156:sc= 0.029 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 78:sc= -0.539 USER MOD Single : A 18 SER OG : rot 134:sc= 0.592 USER MOD Single : A 20 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.14) USER MOD Single : A 23 GLN : amide:sc= -0.144 K(o=-0.14,f=-3.1!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.25 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -81:sc= -2.98! USER MOD Single : A 32 HIS : no HD1:sc= -7.49! C(o=-7.5!,f=-10!) USER MOD Single : A 34 THR OG1 : rot -72:sc= 0.629 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc=-8.96e-05 X(o=-9e-05,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= -0.0672 (180deg=-0.42) USER MOD Single : A 48 GLN : amide:sc= -3.66! C(o=-3.7!,f=-2.8!) USER MOD Single : A 49 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.46) USER MOD Single : A 50 SER OG : rot -36:sc= -1.28 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -1.48! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -170:sc= -2.61! USER MOD Single : A 86 LYS NZ :NH3+ 168:sc= -1.56 (180deg=-1.81) USER MOD Single : A 90 GLN : amide:sc= -1 K(o=-1,f=-0.33) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 9.331 2.830 -7.032 1.00 0.00 N ATOM 80 CA TYR A 6 8.581 1.696 -7.630 1.00 0.00 C ATOM 81 C TYR A 6 7.438 2.253 -8.473 1.00 0.00 C ATOM 82 O TYR A 6 6.755 3.174 -8.074 1.00 0.00 O ATOM 83 CB TYR A 6 8.011 0.813 -6.518 1.00 0.00 C ATOM 84 CG TYR A 6 9.132 0.297 -5.650 1.00 0.00 C ATOM 85 CD1 TYR A 6 10.424 0.160 -6.175 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.879 -0.042 -4.318 1.00 0.00 C ATOM 87 CE1 TYR A 6 11.461 -0.317 -5.363 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.913 -0.519 -3.506 1.00 0.00 C ATOM 89 CZ TYR A 6 11.205 -0.655 -4.028 1.00 0.00 C ATOM 90 OH TYR A 6 12.227 -1.124 -3.227 1.00 0.00 O ATOM 0 HA TYR A 6 9.248 1.100 -8.253 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.304 1.383 -5.915 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.460 -0.022 -6.951 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.620 0.422 -7.204 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.883 0.065 -3.915 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.457 -0.424 -5.766 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.715 -0.782 -2.477 1.00 0.00 H new ATOM 0 HH TYR A 6 13.078 -0.737 -3.522 1.00 0.00 H new ATOM 100 N SER A 7 7.216 1.702 -9.631 1.00 0.00 N ATOM 101 CA SER A 7 6.107 2.211 -10.478 1.00 0.00 C ATOM 102 C SER A 7 4.856 2.316 -9.607 1.00 0.00 C ATOM 103 O SER A 7 4.827 1.816 -8.503 1.00 0.00 O ATOM 104 CB SER A 7 5.857 1.231 -11.624 1.00 0.00 C ATOM 105 OG SER A 7 6.693 1.569 -12.724 1.00 0.00 O ATOM 0 H SER A 7 7.750 0.927 -10.025 1.00 0.00 H new ATOM 0 HA SER A 7 6.358 3.187 -10.894 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.062 0.212 -11.297 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.810 1.265 -11.925 1.00 0.00 H new ATOM 0 HG SER A 7 6.536 0.941 -13.460 1.00 0.00 H new ATOM 111 N TYR A 8 3.826 2.961 -10.074 1.00 0.00 N ATOM 112 CA TYR A 8 2.600 3.074 -9.235 1.00 0.00 C ATOM 113 C TYR A 8 1.701 1.862 -9.475 1.00 0.00 C ATOM 114 O TYR A 8 0.609 1.767 -8.953 1.00 0.00 O ATOM 115 CB TYR A 8 1.865 4.367 -9.574 1.00 0.00 C ATOM 116 CG TYR A 8 2.646 5.519 -8.991 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.012 5.495 -7.640 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.018 6.599 -9.799 1.00 0.00 C ATOM 119 CE1 TYR A 8 3.749 6.552 -7.096 1.00 0.00 C ATOM 120 CE2 TYR A 8 3.753 7.656 -9.255 1.00 0.00 C ATOM 121 CZ TYR A 8 4.120 7.634 -7.904 1.00 0.00 C ATOM 122 OH TYR A 8 4.845 8.678 -7.368 1.00 0.00 O ATOM 0 H TYR A 8 3.778 3.410 -10.988 1.00 0.00 H new ATOM 0 HA TYR A 8 2.877 3.098 -8.181 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.771 4.479 -10.654 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.854 4.348 -9.167 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.725 4.660 -7.018 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.738 6.616 -10.842 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.032 6.534 -6.054 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.038 8.491 -9.878 1.00 0.00 H new ATOM 0 HH TYR A 8 5.436 8.338 -6.664 1.00 0.00 H new ATOM 132 N ALA A 9 2.174 0.921 -10.244 1.00 0.00 N ATOM 133 CA ALA A 9 1.378 -0.312 -10.508 1.00 0.00 C ATOM 134 C ALA A 9 2.106 -1.492 -9.861 1.00 0.00 C ATOM 135 O ALA A 9 1.506 -2.459 -9.435 1.00 0.00 O ATOM 136 CB ALA A 9 1.267 -0.538 -12.016 1.00 0.00 C ATOM 0 H ALA A 9 3.084 0.953 -10.704 1.00 0.00 H new ATOM 0 HA ALA A 9 0.374 -0.213 -10.094 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.685 -1.440 -12.207 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.773 0.317 -12.477 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.264 -0.653 -12.441 1.00 0.00 H new ATOM 142 N GLN A 10 3.401 -1.387 -9.762 1.00 0.00 N ATOM 143 CA GLN A 10 4.224 -2.451 -9.119 1.00 0.00 C ATOM 144 C GLN A 10 4.328 -2.091 -7.644 1.00 0.00 C ATOM 145 O GLN A 10 4.286 -2.932 -6.768 1.00 0.00 O ATOM 146 CB GLN A 10 5.620 -2.455 -9.764 1.00 0.00 C ATOM 147 CG GLN A 10 6.639 -3.124 -8.838 1.00 0.00 C ATOM 148 CD GLN A 10 7.777 -2.145 -8.542 1.00 0.00 C ATOM 149 OE1 GLN A 10 7.688 -0.977 -8.861 1.00 0.00 O ATOM 150 NE2 GLN A 10 8.853 -2.576 -7.941 1.00 0.00 N ATOM 0 H GLN A 10 3.936 -0.590 -10.107 1.00 0.00 H new ATOM 0 HA GLN A 10 3.782 -3.439 -9.243 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.585 -2.983 -10.717 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.931 -1.432 -9.978 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.157 -3.430 -7.909 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.033 -4.027 -9.305 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.929 -3.557 -7.672 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.618 -1.932 -7.740 1.00 0.00 H new ATOM 159 N LEU A 11 4.447 -0.826 -7.384 1.00 0.00 N ATOM 160 CA LEU A 11 4.540 -0.338 -5.989 1.00 0.00 C ATOM 161 C LEU A 11 3.292 -0.777 -5.226 1.00 0.00 C ATOM 162 O LEU A 11 3.353 -1.137 -4.067 1.00 0.00 O ATOM 163 CB LEU A 11 4.614 1.187 -6.027 1.00 0.00 C ATOM 164 CG LEU A 11 4.460 1.763 -4.625 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.838 2.095 -4.064 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.627 3.037 -4.707 1.00 0.00 C ATOM 0 H LEU A 11 4.484 -0.095 -8.094 1.00 0.00 H new ATOM 0 HA LEU A 11 5.422 -0.743 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.567 1.500 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.831 1.579 -6.676 1.00 0.00 H new ATOM 0 HG LEU A 11 3.968 1.039 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.733 2.508 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.442 1.188 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.326 2.827 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.509 3.460 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.130 3.760 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.646 2.804 -5.120 1.00 0.00 H new ATOM 178 N ILE A 12 2.158 -0.747 -5.869 1.00 0.00 N ATOM 179 CA ILE A 12 0.904 -1.161 -5.173 1.00 0.00 C ATOM 180 C ILE A 12 0.903 -2.676 -4.944 1.00 0.00 C ATOM 181 O ILE A 12 0.459 -3.155 -3.922 1.00 0.00 O ATOM 182 CB ILE A 12 -0.326 -0.825 -6.009 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.401 0.691 -6.338 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.549 -1.260 -5.216 1.00 0.00 C ATOM 185 CD1 ILE A 12 -1.419 1.400 -5.435 1.00 0.00 C ATOM 0 H ILE A 12 2.044 -0.456 -6.840 1.00 0.00 H new ATOM 0 HA ILE A 12 0.868 -0.623 -4.226 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.275 -1.348 -6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.582 1.144 -6.209 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.680 0.827 -7.383 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.451 -1.034 -5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.498 -2.332 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.576 -0.725 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.452 2.460 -5.686 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.405 0.961 -5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.124 1.283 -4.392 1.00 0.00 H new ATOM 197 N VAL A 13 1.364 -3.439 -5.898 1.00 0.00 N ATOM 198 CA VAL A 13 1.356 -4.920 -5.737 1.00 0.00 C ATOM 199 C VAL A 13 1.995 -5.303 -4.398 1.00 0.00 C ATOM 200 O VAL A 13 1.421 -6.032 -3.621 1.00 0.00 O ATOM 201 CB VAL A 13 2.144 -5.549 -6.886 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.337 -7.044 -6.628 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.366 -5.348 -8.188 1.00 0.00 C ATOM 0 H VAL A 13 1.745 -3.100 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 13 0.329 -5.284 -5.752 1.00 0.00 H new ATOM 0 HB VAL A 13 3.123 -5.075 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.899 -7.486 -7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.886 -7.185 -5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.364 -7.529 -6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.919 -5.793 -9.015 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.390 -5.826 -8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.234 -4.282 -8.372 1.00 0.00 H new ATOM 213 N GLN A 14 3.167 -4.814 -4.109 1.00 0.00 N ATOM 214 CA GLN A 14 3.797 -5.162 -2.804 1.00 0.00 C ATOM 215 C GLN A 14 2.873 -4.697 -1.675 1.00 0.00 C ATOM 216 O GLN A 14 2.840 -5.269 -0.606 1.00 0.00 O ATOM 217 CB GLN A 14 5.151 -4.463 -2.680 1.00 0.00 C ATOM 218 CG GLN A 14 6.131 -5.063 -3.686 1.00 0.00 C ATOM 219 CD GLN A 14 6.956 -3.942 -4.318 1.00 0.00 C ATOM 220 OE1 GLN A 14 7.085 -3.872 -5.524 1.00 0.00 O ATOM 221 NE2 GLN A 14 7.524 -3.055 -3.548 1.00 0.00 N ATOM 0 H GLN A 14 3.712 -4.196 -4.710 1.00 0.00 H new ATOM 0 HA GLN A 14 3.949 -6.240 -2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.038 -3.394 -2.861 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.539 -4.576 -1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.787 -5.778 -3.190 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.589 -5.610 -4.457 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.415 -3.114 -2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.077 -2.302 -3.959 1.00 0.00 H new ATOM 230 N ALA A 15 2.124 -3.655 -1.915 1.00 0.00 N ATOM 231 CA ALA A 15 1.194 -3.131 -0.871 1.00 0.00 C ATOM 232 C ALA A 15 0.065 -4.131 -0.614 1.00 0.00 C ATOM 233 O ALA A 15 0.011 -4.771 0.418 1.00 0.00 O ATOM 234 CB ALA A 15 0.579 -1.815 -1.353 1.00 0.00 C ATOM 0 H ALA A 15 2.116 -3.140 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 15 1.756 -2.974 0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.100 -1.431 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.371 -1.088 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.028 -1.988 -2.277 1.00 0.00 H new ATOM 240 N ILE A 16 -0.851 -4.250 -1.536 1.00 0.00 N ATOM 241 CA ILE A 16 -1.998 -5.190 -1.336 1.00 0.00 C ATOM 242 C ILE A 16 -1.509 -6.641 -1.335 1.00 0.00 C ATOM 243 O ILE A 16 -1.832 -7.413 -0.454 1.00 0.00 O ATOM 244 CB ILE A 16 -3.048 -5.010 -2.447 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.389 -4.578 -3.761 1.00 0.00 C ATOM 246 CG2 ILE A 16 -4.056 -3.941 -2.033 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.451 -4.528 -4.858 1.00 0.00 C ATOM 0 H ILE A 16 -0.858 -3.739 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.453 -4.962 -0.372 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.548 -5.967 -2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.922 -3.600 -3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.599 -5.278 -4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.798 -3.816 -2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.553 -4.247 -1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.538 -2.996 -1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.990 -4.221 -5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.897 -5.515 -4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.225 -3.812 -4.583 1.00 0.00 H new ATOM 259 N SER A 17 -0.751 -7.025 -2.321 1.00 0.00 N ATOM 260 CA SER A 17 -0.261 -8.434 -2.389 1.00 0.00 C ATOM 261 C SER A 17 0.455 -8.822 -1.091 1.00 0.00 C ATOM 262 O SER A 17 0.383 -9.953 -0.653 1.00 0.00 O ATOM 263 CB SER A 17 0.713 -8.577 -3.559 1.00 0.00 C ATOM 264 OG SER A 17 0.159 -7.953 -4.709 1.00 0.00 O ATOM 0 H SER A 17 -0.447 -6.424 -3.087 1.00 0.00 H new ATOM 0 HA SER A 17 -1.118 -9.093 -2.530 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.670 -8.120 -3.308 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.906 -9.631 -3.760 1.00 0.00 H new ATOM 0 HG SER A 17 0.271 -6.982 -4.640 1.00 0.00 H new ATOM 270 N SER A 18 1.155 -7.909 -0.477 1.00 0.00 N ATOM 271 CA SER A 18 1.878 -8.259 0.781 1.00 0.00 C ATOM 272 C SER A 18 0.984 -7.995 1.994 1.00 0.00 C ATOM 273 O SER A 18 1.236 -8.484 3.078 1.00 0.00 O ATOM 274 CB SER A 18 3.145 -7.413 0.893 1.00 0.00 C ATOM 275 OG SER A 18 3.831 -7.434 -0.352 1.00 0.00 O ATOM 0 H SER A 18 1.258 -6.943 -0.787 1.00 0.00 H new ATOM 0 HA SER A 18 2.141 -9.316 0.755 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.890 -6.389 1.164 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.788 -7.802 1.683 1.00 0.00 H new ATOM 0 HG SER A 18 4.098 -6.523 -0.594 1.00 0.00 H new ATOM 281 N ALA A 19 -0.055 -7.226 1.829 1.00 0.00 N ATOM 282 CA ALA A 19 -0.952 -6.938 2.982 1.00 0.00 C ATOM 283 C ALA A 19 -1.584 -8.242 3.476 1.00 0.00 C ATOM 284 O ALA A 19 -1.054 -9.315 3.267 1.00 0.00 O ATOM 285 CB ALA A 19 -2.049 -5.964 2.545 1.00 0.00 C ATOM 0 H ALA A 19 -0.322 -6.786 0.948 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.374 -6.490 3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.706 -5.753 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.595 -5.036 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.629 -6.408 1.736 1.00 0.00 H new ATOM 291 N GLN A 20 -2.709 -8.159 4.134 1.00 0.00 N ATOM 292 CA GLN A 20 -3.372 -9.395 4.642 1.00 0.00 C ATOM 293 C GLN A 20 -3.471 -10.423 3.507 1.00 0.00 C ATOM 294 O GLN A 20 -2.520 -11.118 3.207 1.00 0.00 O ATOM 295 CB GLN A 20 -4.774 -9.050 5.156 1.00 0.00 C ATOM 296 CG GLN A 20 -5.392 -7.955 4.282 1.00 0.00 C ATOM 297 CD GLN A 20 -5.610 -6.694 5.120 1.00 0.00 C ATOM 298 OE1 GLN A 20 -6.252 -6.739 6.150 1.00 0.00 O ATOM 299 NE2 GLN A 20 -5.098 -5.563 4.719 1.00 0.00 N ATOM 0 H GLN A 20 -3.198 -7.288 4.342 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.785 -9.816 5.459 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.405 -9.939 5.142 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.719 -8.714 6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.737 -7.735 3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.340 -8.298 3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.559 -5.525 3.854 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.237 -4.716 5.271 1.00 0.00 H new ATOM 308 N ASP A 21 -4.606 -10.526 2.867 1.00 0.00 N ATOM 309 CA ASP A 21 -4.739 -11.504 1.753 1.00 0.00 C ATOM 310 C ASP A 21 -4.117 -10.902 0.491 1.00 0.00 C ATOM 311 O ASP A 21 -3.086 -11.340 0.024 1.00 0.00 O ATOM 312 CB ASP A 21 -6.219 -11.800 1.501 1.00 0.00 C ATOM 313 CG ASP A 21 -6.815 -12.501 2.723 1.00 0.00 C ATOM 314 OD1 ASP A 21 -6.439 -12.146 3.828 1.00 0.00 O ATOM 315 OD2 ASP A 21 -7.640 -13.380 2.532 1.00 0.00 O ATOM 0 H ASP A 21 -5.442 -9.977 3.068 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.229 -12.431 2.014 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.757 -10.873 1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.330 -12.429 0.618 1.00 0.00 H new ATOM 320 N ARG A 22 -4.738 -9.895 -0.056 1.00 0.00 N ATOM 321 CA ARG A 22 -4.186 -9.254 -1.283 1.00 0.00 C ATOM 322 C ARG A 22 -5.018 -8.015 -1.629 1.00 0.00 C ATOM 323 O ARG A 22 -5.119 -7.626 -2.775 1.00 0.00 O ATOM 324 CB ARG A 22 -4.238 -10.249 -2.443 1.00 0.00 C ATOM 325 CG ARG A 22 -5.628 -10.885 -2.510 1.00 0.00 C ATOM 326 CD ARG A 22 -5.540 -12.219 -3.254 1.00 0.00 C ATOM 327 NE ARG A 22 -6.865 -12.900 -3.218 1.00 0.00 N ATOM 328 CZ ARG A 22 -7.859 -12.435 -3.925 1.00 0.00 C ATOM 329 NH1 ARG A 22 -7.777 -12.409 -5.227 1.00 0.00 N ATOM 330 NH2 ARG A 22 -8.935 -11.995 -3.330 1.00 0.00 N ATOM 0 H ARG A 22 -5.605 -9.487 0.294 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.152 -8.957 -1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.013 -9.742 -3.381 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.480 -11.020 -2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.017 -11.042 -1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.322 -10.217 -3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.234 -12.051 -4.287 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.781 -12.853 -2.796 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.995 -13.730 -2.640 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.936 -12.752 -5.692 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.553 -12.046 -5.780 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.999 -12.015 -2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.711 -11.632 -3.883 1.00 0.00 H new ATOM 344 N GLN A 23 -5.611 -7.395 -0.645 1.00 0.00 N ATOM 345 CA GLN A 23 -6.436 -6.182 -0.909 1.00 0.00 C ATOM 346 C GLN A 23 -6.079 -5.098 0.110 1.00 0.00 C ATOM 347 O GLN A 23 -5.531 -5.381 1.157 1.00 0.00 O ATOM 348 CB GLN A 23 -7.919 -6.541 -0.781 1.00 0.00 C ATOM 349 CG GLN A 23 -8.178 -7.148 0.600 1.00 0.00 C ATOM 350 CD GLN A 23 -9.429 -8.027 0.545 1.00 0.00 C ATOM 351 OE1 GLN A 23 -9.967 -8.273 -0.517 1.00 0.00 O ATOM 352 NE2 GLN A 23 -9.919 -8.516 1.651 1.00 0.00 N ATOM 0 H GLN A 23 -5.559 -7.678 0.334 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.239 -5.813 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.533 -5.651 -0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.202 -7.249 -1.560 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.319 -7.740 0.916 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.309 -6.357 1.338 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.469 -8.311 2.543 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.752 -9.104 1.624 1.00 0.00 H new ATOM 361 N LEU A 24 -6.374 -3.857 -0.180 1.00 0.00 N ATOM 362 CA LEU A 24 -6.038 -2.779 0.779 1.00 0.00 C ATOM 363 C LEU A 24 -7.041 -1.645 0.651 1.00 0.00 C ATOM 364 O LEU A 24 -7.677 -1.470 -0.374 1.00 0.00 O ATOM 365 CB LEU A 24 -4.653 -2.222 0.458 1.00 0.00 C ATOM 366 CG LEU A 24 -3.580 -3.108 1.092 1.00 0.00 C ATOM 367 CD1 LEU A 24 -2.196 -2.585 0.710 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.735 -3.075 2.613 1.00 0.00 C ATOM 0 H LEU A 24 -6.832 -3.550 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.060 -3.190 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.510 -2.178 -0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.565 -1.203 0.834 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.691 -4.131 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.431 -3.216 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.087 -2.602 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.081 -1.562 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.972 -3.705 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.620 -2.051 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.723 -3.445 2.886 1.00 0.00 H new ATOM 380 N THR A 25 -7.160 -0.844 1.669 1.00 0.00 N ATOM 381 CA THR A 25 -8.085 0.309 1.588 1.00 0.00 C ATOM 382 C THR A 25 -7.354 1.411 0.827 1.00 0.00 C ATOM 383 O THR A 25 -6.166 1.319 0.589 1.00 0.00 O ATOM 384 CB THR A 25 -8.456 0.802 2.993 1.00 0.00 C ATOM 385 OG1 THR A 25 -7.648 1.923 3.327 1.00 0.00 O ATOM 386 CG2 THR A 25 -8.232 -0.312 4.020 1.00 0.00 C ATOM 0 H THR A 25 -6.657 -0.940 2.551 1.00 0.00 H new ATOM 0 HA THR A 25 -9.008 0.025 1.083 1.00 0.00 H new ATOM 0 HB THR A 25 -9.508 1.088 3.004 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.884 2.241 4.223 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.499 0.050 5.013 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.854 -1.170 3.767 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.183 -0.609 4.012 1.00 0.00 H new ATOM 394 N LEU A 26 -8.032 2.441 0.436 1.00 0.00 N ATOM 395 CA LEU A 26 -7.332 3.523 -0.317 1.00 0.00 C ATOM 396 C LEU A 26 -6.073 3.938 0.448 1.00 0.00 C ATOM 397 O LEU A 26 -5.067 4.285 -0.139 1.00 0.00 O ATOM 398 CB LEU A 26 -8.257 4.734 -0.491 1.00 0.00 C ATOM 399 CG LEU A 26 -8.212 5.207 -1.942 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.411 6.114 -2.218 1.00 0.00 C ATOM 401 CD2 LEU A 26 -6.920 5.988 -2.183 1.00 0.00 C ATOM 0 H LEU A 26 -9.028 2.588 0.598 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.056 3.151 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.278 4.468 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.948 5.540 0.175 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.246 4.344 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.380 6.453 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.334 5.560 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.375 6.977 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.887 6.326 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.887 6.851 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.063 5.344 -1.984 1.00 0.00 H new ATOM 413 N SER A 27 -6.117 3.911 1.752 1.00 0.00 N ATOM 414 CA SER A 27 -4.919 4.306 2.547 1.00 0.00 C ATOM 415 C SER A 27 -4.161 3.069 3.032 1.00 0.00 C ATOM 416 O SER A 27 -3.778 2.983 4.181 1.00 0.00 O ATOM 417 CB SER A 27 -5.359 5.116 3.754 1.00 0.00 C ATOM 418 OG SER A 27 -5.926 6.345 3.319 1.00 0.00 O ATOM 0 H SER A 27 -6.930 3.633 2.301 1.00 0.00 H new ATOM 0 HA SER A 27 -4.262 4.900 1.911 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.088 4.553 4.337 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.508 5.307 4.407 1.00 0.00 H new ATOM 0 HG SER A 27 -6.212 6.867 4.098 1.00 0.00 H new ATOM 424 N GLY A 28 -3.920 2.123 2.177 1.00 0.00 N ATOM 425 CA GLY A 28 -3.162 0.915 2.610 1.00 0.00 C ATOM 426 C GLY A 28 -1.731 1.065 2.122 1.00 0.00 C ATOM 427 O GLY A 28 -0.778 1.047 2.876 1.00 0.00 O ATOM 0 H GLY A 28 -4.212 2.129 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.187 0.817 3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.614 0.013 2.198 1.00 0.00 H new ATOM 431 N ILE A 29 -1.604 1.223 0.846 1.00 0.00 N ATOM 432 CA ILE A 29 -0.286 1.395 0.204 1.00 0.00 C ATOM 433 C ILE A 29 0.462 2.564 0.831 1.00 0.00 C ATOM 434 O ILE A 29 1.674 2.585 0.905 1.00 0.00 O ATOM 435 CB ILE A 29 -0.548 1.682 -1.258 1.00 0.00 C ATOM 436 CG1 ILE A 29 0.712 1.419 -2.066 1.00 0.00 C ATOM 437 CG2 ILE A 29 -0.978 3.140 -1.434 1.00 0.00 C ATOM 438 CD1 ILE A 29 0.475 1.948 -3.463 1.00 0.00 C ATOM 0 H ILE A 29 -2.391 1.241 0.197 1.00 0.00 H new ATOM 0 HA ILE A 29 0.325 0.501 0.331 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.346 1.029 -1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.570 1.913 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.935 0.352 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.165 3.339 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.889 3.322 -0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.187 3.798 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.362 1.776 -4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.377 1.433 -3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.269 3.017 -3.417 1.00 0.00 H new ATOM 450 N TYR A 30 -0.254 3.542 1.269 1.00 0.00 N ATOM 451 CA TYR A 30 0.407 4.713 1.885 1.00 0.00 C ATOM 452 C TYR A 30 1.066 4.255 3.175 1.00 0.00 C ATOM 453 O TYR A 30 2.210 4.555 3.439 1.00 0.00 O ATOM 454 CB TYR A 30 -0.649 5.780 2.141 1.00 0.00 C ATOM 455 CG TYR A 30 -1.433 5.963 0.860 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.804 5.746 -0.374 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.784 6.310 0.899 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.522 5.881 -1.565 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.507 6.442 -0.294 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.877 6.228 -1.525 1.00 0.00 C ATOM 461 OH TYR A 30 -3.594 6.358 -2.697 1.00 0.00 O ATOM 0 H TYR A 30 -1.272 3.586 1.229 1.00 0.00 H new ATOM 0 HA TYR A 30 1.172 5.138 1.235 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.309 5.478 2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.181 6.718 2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.241 5.473 -0.404 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.272 6.477 1.848 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.033 5.718 -2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.553 6.710 -0.263 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.423 7.240 -3.089 1.00 0.00 H new ATOM 471 N ALA A 31 0.370 3.486 3.954 1.00 0.00 N ATOM 472 CA ALA A 31 0.977 2.959 5.204 1.00 0.00 C ATOM 473 C ALA A 31 2.071 1.953 4.820 1.00 0.00 C ATOM 474 O ALA A 31 2.917 1.603 5.618 1.00 0.00 O ATOM 475 CB ALA A 31 -0.097 2.258 6.039 1.00 0.00 C ATOM 0 H ALA A 31 -0.593 3.198 3.782 1.00 0.00 H new ATOM 0 HA ALA A 31 1.404 3.773 5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.349 1.872 6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.884 2.969 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.522 1.433 5.467 1.00 0.00 H new ATOM 481 N HIS A 32 2.053 1.487 3.594 1.00 0.00 N ATOM 482 CA HIS A 32 3.078 0.504 3.136 1.00 0.00 C ATOM 483 C HIS A 32 4.419 1.213 2.927 1.00 0.00 C ATOM 484 O HIS A 32 5.295 1.178 3.766 1.00 0.00 O ATOM 485 CB HIS A 32 2.596 -0.122 1.810 1.00 0.00 C ATOM 486 CG HIS A 32 3.750 -0.649 0.970 1.00 0.00 C ATOM 487 ND1 HIS A 32 3.547 -1.118 -0.319 1.00 0.00 N ATOM 488 CD2 HIS A 32 5.105 -0.785 1.197 1.00 0.00 C ATOM 489 CE1 HIS A 32 4.736 -1.509 -0.808 1.00 0.00 C ATOM 490 NE2 HIS A 32 5.717 -1.328 0.073 1.00 0.00 N ATOM 0 H HIS A 32 1.365 1.749 2.888 1.00 0.00 H new ATOM 0 HA HIS A 32 3.212 -0.276 3.886 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.904 -0.936 2.025 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.043 0.623 1.238 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.613 -0.511 2.110 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.878 -1.920 -1.796 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.707 -1.542 -0.050 1.00 0.00 H new ATOM 498 N ILE A 33 4.592 1.812 1.785 1.00 0.00 N ATOM 499 CA ILE A 33 5.877 2.494 1.457 1.00 0.00 C ATOM 500 C ILE A 33 6.251 3.523 2.527 1.00 0.00 C ATOM 501 O ILE A 33 7.393 3.628 2.925 1.00 0.00 O ATOM 502 CB ILE A 33 5.709 3.188 0.113 1.00 0.00 C ATOM 503 CG1 ILE A 33 7.076 3.583 -0.445 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.843 4.431 0.284 1.00 0.00 C ATOM 505 CD1 ILE A 33 6.893 4.258 -1.802 1.00 0.00 C ATOM 0 H ILE A 33 3.886 1.860 1.050 1.00 0.00 H new ATOM 0 HA ILE A 33 6.678 1.756 1.418 1.00 0.00 H new ATOM 0 HB ILE A 33 5.226 2.504 -0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.581 4.259 0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.708 2.701 -0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.724 4.927 -0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.864 4.143 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.321 5.114 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.867 4.541 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.405 3.567 -2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.276 5.149 -1.685 1.00 0.00 H new ATOM 517 N THR A 34 5.315 4.295 2.992 1.00 0.00 N ATOM 518 CA THR A 34 5.662 5.312 4.030 1.00 0.00 C ATOM 519 C THR A 34 6.247 4.599 5.250 1.00 0.00 C ATOM 520 O THR A 34 7.010 5.165 6.009 1.00 0.00 O ATOM 521 CB THR A 34 4.413 6.095 4.449 1.00 0.00 C ATOM 522 OG1 THR A 34 3.545 5.242 5.178 1.00 0.00 O ATOM 523 CG2 THR A 34 3.697 6.633 3.208 1.00 0.00 C ATOM 0 H THR A 34 4.336 4.272 2.707 1.00 0.00 H new ATOM 0 HA THR A 34 6.391 6.009 3.617 1.00 0.00 H new ATOM 0 HB THR A 34 4.705 6.935 5.079 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.132 4.597 4.567 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.810 7.189 3.512 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.368 7.293 2.658 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.402 5.801 2.569 1.00 0.00 H new ATOM 531 N LYS A 35 5.893 3.361 5.439 1.00 0.00 N ATOM 532 CA LYS A 35 6.418 2.592 6.604 1.00 0.00 C ATOM 533 C LYS A 35 7.799 2.014 6.269 1.00 0.00 C ATOM 534 O LYS A 35 8.797 2.392 6.850 1.00 0.00 O ATOM 535 CB LYS A 35 5.456 1.448 6.928 1.00 0.00 C ATOM 536 CG LYS A 35 5.894 0.759 8.221 1.00 0.00 C ATOM 537 CD LYS A 35 4.868 -0.311 8.601 1.00 0.00 C ATOM 538 CE LYS A 35 4.140 0.108 9.880 1.00 0.00 C ATOM 539 NZ LYS A 35 4.481 -0.841 10.977 1.00 0.00 N ATOM 0 H LYS A 35 5.257 2.843 4.833 1.00 0.00 H new ATOM 0 HA LYS A 35 6.506 3.257 7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.441 1.832 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.441 0.729 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.876 0.306 8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.986 1.491 9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.152 -0.447 7.791 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.365 -1.269 8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.427 1.122 10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.063 0.116 9.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.987 -0.558 11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.187 -1.802 10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.508 -0.827 11.142 1.00 0.00 H new ATOM 553 N HIS A 36 7.861 1.091 5.343 1.00 0.00 N ATOM 554 CA HIS A 36 9.175 0.480 4.980 1.00 0.00 C ATOM 555 C HIS A 36 10.025 1.489 4.211 1.00 0.00 C ATOM 556 O HIS A 36 11.186 1.691 4.508 1.00 0.00 O ATOM 557 CB HIS A 36 8.940 -0.749 4.101 1.00 0.00 C ATOM 558 CG HIS A 36 8.122 -1.755 4.863 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.705 -2.742 5.643 1.00 0.00 N ATOM 560 CD2 HIS A 36 6.767 -1.931 4.984 1.00 0.00 C ATOM 561 CE1 HIS A 36 7.711 -3.461 6.194 1.00 0.00 C ATOM 562 NE2 HIS A 36 6.508 -3.009 5.826 1.00 0.00 N ATOM 0 H HIS A 36 7.059 0.735 4.823 1.00 0.00 H new ATOM 0 HA HIS A 36 9.696 0.189 5.892 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.424 -0.462 3.185 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.893 -1.187 3.806 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.015 -1.325 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.866 -4.302 6.854 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.597 -3.375 6.102 1.00 0.00 H new ATOM 570 N TYR A 37 9.460 2.118 3.219 1.00 0.00 N ATOM 571 CA TYR A 37 10.245 3.106 2.428 1.00 0.00 C ATOM 572 C TYR A 37 10.328 4.424 3.210 1.00 0.00 C ATOM 573 O TYR A 37 9.315 5.025 3.508 1.00 0.00 O ATOM 574 CB TYR A 37 9.565 3.348 1.073 1.00 0.00 C ATOM 575 CG TYR A 37 10.537 3.027 -0.029 1.00 0.00 C ATOM 576 CD1 TYR A 37 11.389 4.018 -0.526 1.00 0.00 C ATOM 577 CD2 TYR A 37 10.591 1.729 -0.547 1.00 0.00 C ATOM 578 CE1 TYR A 37 12.295 3.709 -1.545 1.00 0.00 C ATOM 579 CE2 TYR A 37 11.497 1.419 -1.564 1.00 0.00 C ATOM 580 CZ TYR A 37 12.351 2.409 -2.064 1.00 0.00 C ATOM 581 OH TYR A 37 13.247 2.105 -3.069 1.00 0.00 O ATOM 0 H TYR A 37 8.492 1.992 2.922 1.00 0.00 H new ATOM 0 HA TYR A 37 11.249 2.719 2.255 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.675 2.726 0.982 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.238 4.385 0.996 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.347 5.019 -0.124 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.932 0.966 -0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 37 12.952 4.473 -1.932 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.539 0.417 -1.964 1.00 0.00 H new ATOM 0 HH TYR A 37 12.926 1.326 -3.569 1.00 0.00 H new ATOM 591 N PRO A 38 11.535 4.829 3.532 1.00 0.00 N ATOM 592 CA PRO A 38 11.782 6.066 4.295 1.00 0.00 C ATOM 593 C PRO A 38 11.654 7.293 3.391 1.00 0.00 C ATOM 594 O PRO A 38 11.325 8.373 3.841 1.00 0.00 O ATOM 595 CB PRO A 38 13.222 5.904 4.790 1.00 0.00 C ATOM 596 CG PRO A 38 13.899 4.889 3.839 1.00 0.00 C ATOM 597 CD PRO A 38 12.765 4.096 3.163 1.00 0.00 C ATOM 0 HA PRO A 38 11.070 6.213 5.107 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.747 6.859 4.776 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.241 5.545 5.819 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.510 5.402 3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.562 4.223 4.391 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.896 4.058 2.082 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.735 3.065 3.517 1.00 0.00 H new ATOM 605 N TYR A 39 11.913 7.141 2.122 1.00 0.00 N ATOM 606 CA TYR A 39 11.805 8.306 1.201 1.00 0.00 C ATOM 607 C TYR A 39 10.354 8.780 1.148 1.00 0.00 C ATOM 608 O TYR A 39 10.076 9.963 1.117 1.00 0.00 O ATOM 609 CB TYR A 39 12.249 7.892 -0.202 1.00 0.00 C ATOM 610 CG TYR A 39 12.465 9.130 -1.038 1.00 0.00 C ATOM 611 CD1 TYR A 39 11.382 9.965 -1.346 1.00 0.00 C ATOM 612 CD2 TYR A 39 13.745 9.447 -1.501 1.00 0.00 C ATOM 613 CE1 TYR A 39 11.583 11.115 -2.115 1.00 0.00 C ATOM 614 CE2 TYR A 39 13.946 10.596 -2.271 1.00 0.00 C ATOM 615 CZ TYR A 39 12.867 11.431 -2.580 1.00 0.00 C ATOM 616 OH TYR A 39 13.067 12.567 -3.338 1.00 0.00 O ATOM 0 H TYR A 39 12.194 6.264 1.684 1.00 0.00 H new ATOM 0 HA TYR A 39 12.442 9.113 1.564 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.169 7.309 -0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.494 7.255 -0.662 1.00 0.00 H new ATOM 0 HD1 TYR A 39 10.393 9.720 -0.989 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.579 8.804 -1.264 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.749 11.760 -2.351 1.00 0.00 H new ATOM 0 HE2 TYR A 39 14.936 10.840 -2.628 1.00 0.00 H new ATOM 0 HH TYR A 39 14.015 12.638 -3.577 1.00 0.00 H new ATOM 626 N TYR A 40 9.426 7.865 1.126 1.00 0.00 N ATOM 627 CA TYR A 40 7.992 8.259 1.061 1.00 0.00 C ATOM 628 C TYR A 40 7.459 8.512 2.474 1.00 0.00 C ATOM 629 O TYR A 40 6.462 7.950 2.882 1.00 0.00 O ATOM 630 CB TYR A 40 7.194 7.133 0.402 1.00 0.00 C ATOM 631 CG TYR A 40 7.093 7.395 -1.082 1.00 0.00 C ATOM 632 CD1 TYR A 40 8.103 8.108 -1.739 1.00 0.00 C ATOM 633 CD2 TYR A 40 5.986 6.930 -1.798 1.00 0.00 C ATOM 634 CE1 TYR A 40 8.003 8.355 -3.115 1.00 0.00 C ATOM 635 CE2 TYR A 40 5.887 7.174 -3.173 1.00 0.00 C ATOM 636 CZ TYR A 40 6.894 7.886 -3.831 1.00 0.00 C ATOM 637 OH TYR A 40 6.792 8.132 -5.184 1.00 0.00 O ATOM 0 H TYR A 40 9.599 6.860 1.150 1.00 0.00 H new ATOM 0 HA TYR A 40 7.890 9.173 0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.680 6.174 0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.198 7.072 0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.958 8.467 -1.186 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.206 6.382 -1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.780 8.906 -3.623 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.032 6.812 -3.725 1.00 0.00 H new ATOM 0 HH TYR A 40 7.689 8.189 -5.575 1.00 0.00 H new ATOM 647 N ARG A 41 8.112 9.358 3.222 1.00 0.00 N ATOM 648 CA ARG A 41 7.640 9.651 4.604 1.00 0.00 C ATOM 649 C ARG A 41 7.447 11.160 4.767 1.00 0.00 C ATOM 650 O ARG A 41 6.508 11.612 5.391 1.00 0.00 O ATOM 651 CB ARG A 41 8.677 9.155 5.614 1.00 0.00 C ATOM 652 CG ARG A 41 8.050 9.109 7.009 1.00 0.00 C ATOM 653 CD ARG A 41 9.024 8.448 7.986 1.00 0.00 C ATOM 654 NE ARG A 41 8.779 8.969 9.360 1.00 0.00 N ATOM 655 CZ ARG A 41 9.647 9.768 9.920 1.00 0.00 C ATOM 656 NH1 ARG A 41 10.852 9.341 10.182 1.00 0.00 N ATOM 657 NH2 ARG A 41 9.310 10.992 10.218 1.00 0.00 N ATOM 0 H ARG A 41 8.953 9.859 2.935 1.00 0.00 H new ATOM 0 HA ARG A 41 6.692 9.143 4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.032 8.164 5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.544 9.816 5.615 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.810 10.118 7.345 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.114 8.552 6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.896 7.366 7.968 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.052 8.652 7.686 1.00 0.00 H new ATOM 0 HE ARG A 41 7.933 8.702 9.863 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.116 8.384 9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.530 9.965 10.619 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.368 11.326 10.014 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.988 11.616 10.655 1.00 0.00 H new ATOM 671 N THR A 42 8.327 11.944 4.207 1.00 0.00 N ATOM 672 CA THR A 42 8.189 13.422 4.328 1.00 0.00 C ATOM 673 C THR A 42 7.681 13.992 3.004 1.00 0.00 C ATOM 674 O THR A 42 7.086 15.051 2.959 1.00 0.00 O ATOM 675 CB THR A 42 9.551 14.039 4.661 1.00 0.00 C ATOM 676 OG1 THR A 42 10.360 14.052 3.494 1.00 0.00 O ATOM 677 CG2 THR A 42 10.233 13.210 5.750 1.00 0.00 C ATOM 0 H THR A 42 9.134 11.625 3.672 1.00 0.00 H new ATOM 0 HA THR A 42 7.482 13.658 5.123 1.00 0.00 H new ATOM 0 HB THR A 42 9.413 15.060 5.018 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.231 14.448 3.704 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.202 13.648 5.988 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.610 13.201 6.644 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.374 12.189 5.395 1.00 0.00 H new ATOM 685 N ALA A 43 7.906 13.295 1.926 1.00 0.00 N ATOM 686 CA ALA A 43 7.433 13.792 0.604 1.00 0.00 C ATOM 687 C ALA A 43 6.326 12.872 0.088 1.00 0.00 C ATOM 688 O ALA A 43 6.574 11.944 -0.656 1.00 0.00 O ATOM 689 CB ALA A 43 8.598 13.795 -0.388 1.00 0.00 C ATOM 0 H ALA A 43 8.398 12.402 1.903 1.00 0.00 H new ATOM 0 HA ALA A 43 7.047 14.806 0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.251 14.159 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.389 14.447 -0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.984 12.782 -0.499 1.00 0.00 H new ATOM 695 N ASP A 44 5.107 13.118 0.481 1.00 0.00 N ATOM 696 CA ASP A 44 3.987 12.254 0.016 1.00 0.00 C ATOM 697 C ASP A 44 2.863 13.128 -0.538 1.00 0.00 C ATOM 698 O ASP A 44 1.769 12.662 -0.787 1.00 0.00 O ATOM 699 CB ASP A 44 3.460 11.427 1.191 1.00 0.00 C ATOM 700 CG ASP A 44 2.966 12.363 2.294 1.00 0.00 C ATOM 701 OD1 ASP A 44 3.800 12.947 2.967 1.00 0.00 O ATOM 702 OD2 ASP A 44 1.761 12.482 2.447 1.00 0.00 O ATOM 0 H ASP A 44 4.838 13.880 1.104 1.00 0.00 H new ATOM 0 HA ASP A 44 4.345 11.586 -0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.649 10.780 0.859 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.248 10.779 1.575 1.00 0.00 H new ATOM 707 N LYS A 45 3.121 14.390 -0.736 1.00 0.00 N ATOM 708 CA LYS A 45 2.062 15.287 -1.275 1.00 0.00 C ATOM 709 C LYS A 45 2.085 15.236 -2.803 1.00 0.00 C ATOM 710 O LYS A 45 2.083 16.254 -3.467 1.00 0.00 O ATOM 711 CB LYS A 45 2.318 16.719 -0.803 1.00 0.00 C ATOM 712 CG LYS A 45 1.020 17.524 -0.896 1.00 0.00 C ATOM 713 CD LYS A 45 1.340 18.970 -1.276 1.00 0.00 C ATOM 714 CE LYS A 45 0.071 19.649 -1.793 1.00 0.00 C ATOM 715 NZ LYS A 45 -0.249 19.131 -3.154 1.00 0.00 N ATOM 0 H LYS A 45 4.018 14.839 -0.548 1.00 0.00 H new ATOM 0 HA LYS A 45 1.086 14.959 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.684 16.715 0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.091 17.183 -1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.357 17.080 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.494 17.496 0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.728 19.508 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.116 18.994 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.760 19.457 -1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.211 20.729 -1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.808 19.838 -3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.634 18.942 -3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.796 18.251 -3.071 1.00 0.00 H new ATOM 729 N GLY A 46 2.106 14.059 -3.367 1.00 0.00 N ATOM 730 CA GLY A 46 2.129 13.945 -4.853 1.00 0.00 C ATOM 731 C GLY A 46 1.559 12.588 -5.271 1.00 0.00 C ATOM 732 O GLY A 46 0.451 12.494 -5.757 1.00 0.00 O ATOM 0 H GLY A 46 2.108 13.172 -2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.544 14.750 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.150 14.051 -5.221 1.00 0.00 H new ATOM 736 N TRP A 47 2.310 11.535 -5.089 1.00 0.00 N ATOM 737 CA TRP A 47 1.807 10.187 -5.482 1.00 0.00 C ATOM 738 C TRP A 47 0.579 9.832 -4.648 1.00 0.00 C ATOM 739 O TRP A 47 -0.150 8.913 -4.963 1.00 0.00 O ATOM 740 CB TRP A 47 2.898 9.139 -5.258 1.00 0.00 C ATOM 741 CG TRP A 47 3.116 8.929 -3.794 1.00 0.00 C ATOM 742 CD1 TRP A 47 3.666 9.835 -2.955 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.811 7.754 -2.984 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.726 9.291 -1.685 1.00 0.00 N ATOM 745 CE2 TRP A 47 3.211 8.012 -1.650 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.234 6.500 -3.271 1.00 0.00 C ATOM 747 CZ2 TRP A 47 3.051 7.064 -0.641 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.071 5.545 -2.255 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.479 5.828 -0.943 1.00 0.00 C ATOM 0 H TRP A 47 3.247 11.550 -4.686 1.00 0.00 H new ATOM 0 HA TRP A 47 1.535 10.203 -6.538 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.612 8.199 -5.730 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.826 9.463 -5.729 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.004 10.823 -3.231 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.105 9.777 -0.872 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.916 6.273 -4.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.368 7.285 0.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.629 4.587 -2.485 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.350 5.089 -0.166 1.00 0.00 H new ATOM 760 N GLN A 48 0.334 10.551 -3.588 1.00 0.00 N ATOM 761 CA GLN A 48 -0.856 10.239 -2.754 1.00 0.00 C ATOM 762 C GLN A 48 -2.066 10.043 -3.673 1.00 0.00 C ATOM 763 O GLN A 48 -2.656 8.983 -3.720 1.00 0.00 O ATOM 764 CB GLN A 48 -1.122 11.395 -1.785 1.00 0.00 C ATOM 765 CG GLN A 48 -1.816 10.861 -0.531 1.00 0.00 C ATOM 766 CD GLN A 48 -0.962 9.756 0.095 1.00 0.00 C ATOM 767 OE1 GLN A 48 -1.463 8.931 0.835 1.00 0.00 O ATOM 768 NE2 GLN A 48 0.314 9.703 -0.171 1.00 0.00 N ATOM 0 H GLN A 48 0.902 11.335 -3.266 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.679 9.330 -2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.184 11.881 -1.515 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.745 12.150 -2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.967 11.668 0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.802 10.473 -0.786 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.735 10.395 -0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.891 8.970 0.242 1.00 0.00 H new ATOM 777 N ASN A 49 -2.430 11.057 -4.411 1.00 0.00 N ATOM 778 CA ASN A 49 -3.593 10.931 -5.337 1.00 0.00 C ATOM 779 C ASN A 49 -3.210 10.051 -6.529 1.00 0.00 C ATOM 780 O ASN A 49 -4.061 9.555 -7.241 1.00 0.00 O ATOM 781 CB ASN A 49 -3.998 12.320 -5.838 1.00 0.00 C ATOM 782 CG ASN A 49 -2.756 13.074 -6.314 1.00 0.00 C ATOM 783 OD1 ASN A 49 -2.274 12.847 -7.406 1.00 0.00 O ATOM 784 ND2 ASN A 49 -2.213 13.970 -5.535 1.00 0.00 N ATOM 0 H ASN A 49 -1.972 11.968 -4.413 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.429 10.476 -4.806 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.716 12.229 -6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.491 12.876 -5.041 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.385 14.479 -5.843 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.617 14.161 -4.618 1.00 0.00 H new ATOM 791 N SER A 50 -1.939 9.855 -6.759 1.00 0.00 N ATOM 792 CA SER A 50 -1.519 9.009 -7.913 1.00 0.00 C ATOM 793 C SER A 50 -1.985 7.568 -7.691 1.00 0.00 C ATOM 794 O SER A 50 -2.363 6.887 -8.620 1.00 0.00 O ATOM 795 CB SER A 50 0.003 9.043 -8.055 1.00 0.00 C ATOM 796 OG SER A 50 0.590 8.223 -7.055 1.00 0.00 O ATOM 0 H SER A 50 -1.178 10.242 -6.201 1.00 0.00 H new ATOM 0 HA SER A 50 -1.971 9.398 -8.825 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.295 8.693 -9.045 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.365 10.067 -7.960 1.00 0.00 H new ATOM 0 HG SER A 50 0.072 8.296 -6.226 1.00 0.00 H new ATOM 802 N ILE A 51 -1.967 7.098 -6.471 1.00 0.00 N ATOM 803 CA ILE A 51 -2.419 5.703 -6.204 1.00 0.00 C ATOM 804 C ILE A 51 -3.934 5.634 -6.365 1.00 0.00 C ATOM 805 O ILE A 51 -4.441 4.829 -7.105 1.00 0.00 O ATOM 806 CB ILE A 51 -2.011 5.291 -4.766 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.553 4.785 -4.715 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.923 4.177 -4.220 1.00 0.00 C ATOM 809 CD1 ILE A 51 -0.076 4.271 -6.076 1.00 0.00 C ATOM 0 H ILE A 51 -1.659 7.620 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.950 5.017 -6.910 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.112 6.185 -4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.100 5.593 -4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.472 3.987 -3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.609 3.912 -3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.954 4.529 -4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.852 3.300 -4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.954 3.925 -5.994 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.711 3.445 -6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.131 5.076 -6.809 1.00 0.00 H new ATOM 821 N ARG A 52 -4.667 6.462 -5.685 1.00 0.00 N ATOM 822 CA ARG A 52 -6.146 6.397 -5.825 1.00 0.00 C ATOM 823 C ARG A 52 -6.507 6.337 -7.312 1.00 0.00 C ATOM 824 O ARG A 52 -7.306 5.526 -7.734 1.00 0.00 O ATOM 825 CB ARG A 52 -6.775 7.640 -5.192 1.00 0.00 C ATOM 826 CG ARG A 52 -8.146 7.284 -4.616 1.00 0.00 C ATOM 827 CD ARG A 52 -9.203 7.390 -5.716 1.00 0.00 C ATOM 828 NE ARG A 52 -10.521 6.946 -5.185 1.00 0.00 N ATOM 829 CZ ARG A 52 -11.241 7.760 -4.462 1.00 0.00 C ATOM 830 NH1 ARG A 52 -11.392 9.004 -4.833 1.00 0.00 N ATOM 831 NH2 ARG A 52 -11.809 7.334 -3.367 1.00 0.00 N ATOM 0 H ARG A 52 -4.314 7.174 -5.045 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.525 5.508 -5.321 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.128 8.027 -4.405 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.876 8.429 -5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.130 6.273 -4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.393 7.956 -3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.270 8.418 -6.072 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.917 6.775 -6.570 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.861 6.006 -5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.947 9.339 -5.688 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.955 9.640 -4.268 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.691 6.364 -3.075 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.371 7.971 -2.803 1.00 0.00 H new ATOM 845 N HIS A 53 -5.922 7.186 -8.110 1.00 0.00 N ATOM 846 CA HIS A 53 -6.229 7.175 -9.568 1.00 0.00 C ATOM 847 C HIS A 53 -5.511 6.006 -10.267 1.00 0.00 C ATOM 848 O HIS A 53 -5.916 5.573 -11.328 1.00 0.00 O ATOM 849 CB HIS A 53 -5.776 8.498 -10.186 1.00 0.00 C ATOM 850 CG HIS A 53 -6.778 8.937 -11.218 1.00 0.00 C ATOM 851 ND1 HIS A 53 -7.827 9.791 -10.914 1.00 0.00 N ATOM 852 CD2 HIS A 53 -6.908 8.647 -12.555 1.00 0.00 C ATOM 853 CE1 HIS A 53 -8.535 9.983 -12.043 1.00 0.00 C ATOM 854 NE2 HIS A 53 -8.018 9.307 -13.073 1.00 0.00 N ATOM 0 H HIS A 53 -5.243 7.888 -7.815 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.303 7.049 -9.701 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.678 9.259 -9.412 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.794 8.381 -10.644 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.248 8.004 -13.119 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.414 10.607 -12.108 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.363 9.280 -14.033 1.00 0.00 H new ATOM 862 N ASN A 54 -4.443 5.501 -9.700 1.00 0.00 N ATOM 863 CA ASN A 54 -3.708 4.379 -10.357 1.00 0.00 C ATOM 864 C ASN A 54 -4.524 3.086 -10.276 1.00 0.00 C ATOM 865 O ASN A 54 -4.524 2.286 -11.189 1.00 0.00 O ATOM 866 CB ASN A 54 -2.362 4.172 -9.660 1.00 0.00 C ATOM 867 CG ASN A 54 -1.231 4.557 -10.615 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.027 3.913 -11.626 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.480 5.588 -10.338 1.00 0.00 N ATOM 0 H ASN A 54 -4.050 5.817 -8.813 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.548 4.632 -11.405 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.311 4.778 -8.756 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.255 3.132 -9.353 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.276 5.852 -10.969 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.650 6.129 -9.490 1.00 0.00 H new ATOM 876 N LEU A 55 -5.211 2.869 -9.190 1.00 0.00 N ATOM 877 CA LEU A 55 -6.013 1.623 -9.055 1.00 0.00 C ATOM 878 C LEU A 55 -7.252 1.711 -9.944 1.00 0.00 C ATOM 879 O LEU A 55 -8.032 0.783 -10.030 1.00 0.00 O ATOM 880 CB LEU A 55 -6.428 1.436 -7.589 1.00 0.00 C ATOM 881 CG LEU A 55 -5.216 1.151 -6.718 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.216 0.261 -7.448 1.00 0.00 C ATOM 883 CD2 LEU A 55 -4.553 2.459 -6.322 1.00 0.00 C ATOM 0 H LEU A 55 -5.252 3.501 -8.390 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.413 0.768 -9.367 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.935 2.333 -7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.140 0.614 -7.510 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.549 0.625 -5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.358 0.072 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.692 -0.685 -7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.883 0.759 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.684 2.252 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.237 2.993 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.262 3.072 -5.766 1.00 0.00 H new ATOM 895 N SER A 56 -7.434 2.810 -10.618 1.00 0.00 N ATOM 896 CA SER A 56 -8.611 2.944 -11.513 1.00 0.00 C ATOM 897 C SER A 56 -8.231 2.457 -12.912 1.00 0.00 C ATOM 898 O SER A 56 -8.902 1.630 -13.497 1.00 0.00 O ATOM 899 CB SER A 56 -9.040 4.410 -11.579 1.00 0.00 C ATOM 900 OG SER A 56 -9.651 4.664 -12.838 1.00 0.00 O ATOM 0 H SER A 56 -6.817 3.622 -10.587 1.00 0.00 H new ATOM 0 HA SER A 56 -9.437 2.347 -11.127 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.737 4.634 -10.772 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.176 5.060 -11.443 1.00 0.00 H new ATOM 0 HG SER A 56 -9.929 5.603 -12.883 1.00 0.00 H new ATOM 906 N LEU A 57 -7.161 2.969 -13.458 1.00 0.00 N ATOM 907 CA LEU A 57 -6.743 2.540 -14.823 1.00 0.00 C ATOM 908 C LEU A 57 -5.751 1.369 -14.752 1.00 0.00 C ATOM 909 O LEU A 57 -5.351 0.839 -15.769 1.00 0.00 O ATOM 910 CB LEU A 57 -6.103 3.714 -15.580 1.00 0.00 C ATOM 911 CG LEU A 57 -5.301 4.600 -14.621 1.00 0.00 C ATOM 912 CD1 LEU A 57 -4.246 3.757 -13.903 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.607 5.705 -15.421 1.00 0.00 C ATOM 0 H LEU A 57 -6.559 3.665 -13.018 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.634 2.210 -15.358 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.450 3.334 -16.366 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.878 4.305 -16.068 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.973 5.042 -13.885 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.677 4.389 -13.222 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.736 2.964 -13.338 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.572 3.316 -14.637 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.034 6.339 -14.744 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.936 5.257 -16.154 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.356 6.307 -15.936 1.00 0.00 H new ATOM 925 N ASN A 58 -5.339 0.952 -13.580 1.00 0.00 N ATOM 926 CA ASN A 58 -4.369 -0.188 -13.525 1.00 0.00 C ATOM 927 C ASN A 58 -5.005 -1.422 -14.166 1.00 0.00 C ATOM 928 O ASN A 58 -6.212 -1.562 -14.205 1.00 0.00 O ATOM 929 CB ASN A 58 -3.952 -0.518 -12.081 1.00 0.00 C ATOM 930 CG ASN A 58 -2.507 -0.062 -11.866 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.674 -0.832 -11.433 1.00 0.00 O ATOM 932 ND2 ASN A 58 -2.174 1.166 -12.156 1.00 0.00 N ATOM 0 H ASN A 58 -5.623 1.339 -12.680 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.473 0.106 -14.071 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.614 -0.018 -11.374 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.040 -1.589 -11.898 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.213 1.480 -12.019 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.875 1.812 -12.520 1.00 0.00 H new ATOM 939 N ARG A 59 -4.202 -2.308 -14.689 1.00 0.00 N ATOM 940 CA ARG A 59 -4.755 -3.523 -15.351 1.00 0.00 C ATOM 941 C ARG A 59 -4.902 -4.670 -14.342 1.00 0.00 C ATOM 942 O ARG A 59 -5.739 -5.537 -14.503 1.00 0.00 O ATOM 943 CB ARG A 59 -3.809 -3.949 -16.477 1.00 0.00 C ATOM 944 CG ARG A 59 -4.275 -5.282 -17.067 1.00 0.00 C ATOM 945 CD ARG A 59 -4.752 -5.067 -18.505 1.00 0.00 C ATOM 946 NE ARG A 59 -5.153 -6.376 -19.092 1.00 0.00 N ATOM 947 CZ ARG A 59 -6.209 -6.996 -18.642 1.00 0.00 C ATOM 948 NH1 ARG A 59 -7.399 -6.582 -18.980 1.00 0.00 N ATOM 949 NH2 ARG A 59 -6.074 -8.029 -17.855 1.00 0.00 N ATOM 0 H ARG A 59 -3.184 -2.242 -14.686 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.740 -3.291 -15.755 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.786 -3.185 -17.254 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.793 -4.045 -16.094 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.459 -6.005 -17.048 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.082 -5.696 -16.463 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.594 -4.375 -18.521 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.958 -4.617 -19.100 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.602 -6.787 -19.845 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.503 -5.775 -19.595 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.226 -7.065 -18.629 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.143 -8.351 -17.592 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.900 -8.514 -17.503 1.00 0.00 H new ATOM 963 N TYR A 60 -4.099 -4.700 -13.313 1.00 0.00 N ATOM 964 CA TYR A 60 -4.218 -5.817 -12.327 1.00 0.00 C ATOM 965 C TYR A 60 -5.093 -5.400 -11.147 1.00 0.00 C ATOM 966 O TYR A 60 -5.868 -6.181 -10.637 1.00 0.00 O ATOM 967 CB TYR A 60 -2.840 -6.237 -11.787 1.00 0.00 C ATOM 968 CG TYR A 60 -1.753 -5.321 -12.297 1.00 0.00 C ATOM 969 CD1 TYR A 60 -1.232 -5.507 -13.581 1.00 0.00 C ATOM 970 CD2 TYR A 60 -1.256 -4.297 -11.481 1.00 0.00 C ATOM 971 CE1 TYR A 60 -0.218 -4.670 -14.055 1.00 0.00 C ATOM 972 CE2 TYR A 60 -0.239 -3.459 -11.953 1.00 0.00 C ATOM 973 CZ TYR A 60 0.280 -3.645 -13.239 1.00 0.00 C ATOM 974 OH TYR A 60 1.284 -2.820 -13.704 1.00 0.00 O ATOM 0 H TYR A 60 -3.375 -4.011 -13.112 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.671 -6.659 -12.850 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.853 -6.220 -10.697 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.626 -7.263 -12.087 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.614 -6.299 -14.208 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.657 -4.154 -10.488 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.181 -4.813 -15.048 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.145 -2.669 -11.325 1.00 0.00 H new ATOM 0 HH TYR A 60 1.213 -2.735 -14.678 1.00 0.00 H new ATOM 984 N PHE A 61 -4.974 -4.188 -10.688 1.00 0.00 N ATOM 985 CA PHE A 61 -5.797 -3.776 -9.519 1.00 0.00 C ATOM 986 C PHE A 61 -7.224 -3.494 -9.956 1.00 0.00 C ATOM 987 O PHE A 61 -7.497 -3.150 -11.089 1.00 0.00 O ATOM 988 CB PHE A 61 -5.201 -2.528 -8.876 1.00 0.00 C ATOM 989 CG PHE A 61 -3.743 -2.767 -8.608 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.349 -3.760 -7.708 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.787 -2.002 -9.269 1.00 0.00 C ATOM 992 CE1 PHE A 61 -1.996 -3.984 -7.472 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.433 -2.220 -9.034 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.031 -3.215 -8.134 1.00 0.00 C ATOM 0 H PHE A 61 -4.352 -3.473 -11.065 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.802 -4.588 -8.791 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.327 -1.668 -9.534 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.722 -2.297 -7.947 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.093 -4.353 -7.196 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.097 -1.237 -9.966 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.690 -4.752 -6.777 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.693 -1.622 -9.545 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.019 -3.388 -7.951 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.133 -3.661 -9.049 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.571 -3.433 -9.360 1.00 0.00 C ATOM 1006 C ILE A 62 -10.304 -3.071 -8.069 1.00 0.00 C ATOM 1007 O ILE A 62 -9.858 -3.396 -6.990 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.165 -4.718 -9.942 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -9.998 -5.856 -8.932 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.434 -5.089 -11.233 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -11.060 -6.926 -9.193 1.00 0.00 C ATOM 0 H ILE A 62 -7.943 -3.950 -8.089 1.00 0.00 H new ATOM 0 HA ILE A 62 -9.676 -2.623 -10.082 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.222 -4.559 -10.154 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.001 -6.289 -9.017 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.094 -5.473 -7.916 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.861 -6.004 -11.643 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.543 -4.282 -11.957 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.376 -5.246 -11.020 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.943 -7.738 -8.475 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.052 -6.487 -9.087 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.942 -7.316 -10.204 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.420 -2.405 -8.155 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.144 -2.047 -6.901 1.00 0.00 C ATOM 1025 C LYS A 63 -12.794 -3.295 -6.315 1.00 0.00 C ATOM 1026 O LYS A 63 -12.722 -4.370 -6.875 1.00 0.00 O ATOM 1027 CB LYS A 63 -13.230 -1.000 -7.169 1.00 0.00 C ATOM 1028 CG LYS A 63 -12.675 0.399 -6.896 1.00 0.00 C ATOM 1029 CD LYS A 63 -13.784 1.282 -6.315 1.00 0.00 C ATOM 1030 CE LYS A 63 -14.220 0.736 -4.954 1.00 0.00 C ATOM 1031 NZ LYS A 63 -13.576 1.531 -3.871 1.00 0.00 N ATOM 0 H LYS A 63 -11.858 -2.096 -9.023 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.422 -1.630 -6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.571 -1.071 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.096 -1.189 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.839 0.341 -6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.292 0.837 -7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.428 2.307 -6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.635 1.309 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.305 0.786 -4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.940 -0.314 -4.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.872 1.160 -2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.542 1.461 -3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.864 2.527 -3.953 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.431 -3.157 -5.187 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.092 -4.332 -4.555 1.00 0.00 C ATOM 1047 C VAL A 64 -15.568 -4.356 -4.972 1.00 0.00 C ATOM 1048 O VAL A 64 -16.214 -3.328 -5.004 1.00 0.00 O ATOM 1049 CB VAL A 64 -13.958 -4.205 -3.032 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -15.057 -4.995 -2.323 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -12.592 -4.747 -2.603 1.00 0.00 C ATOM 0 H VAL A 64 -13.523 -2.280 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.624 -5.262 -4.877 1.00 0.00 H new ATOM 0 HB VAL A 64 -14.052 -3.154 -2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.942 -4.890 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -16.032 -4.611 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -14.982 -6.048 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.489 -4.660 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.509 -5.795 -2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.804 -4.173 -3.090 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.897 -2.034 -0.461 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.953 -1.141 -1.183 1.00 0.00 C ATOM 1220 C PHE A 76 -11.472 -1.818 -2.468 1.00 0.00 C ATOM 1221 O PHE A 76 -12.265 -2.275 -3.246 1.00 0.00 O ATOM 1222 CB PHE A 76 -10.785 -0.803 -0.274 1.00 0.00 C ATOM 1223 CG PHE A 76 -10.401 -2.006 0.556 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -10.323 -3.277 -0.028 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -10.122 -1.845 1.918 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -9.967 -4.385 0.752 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -9.765 -2.952 2.697 1.00 0.00 C ATOM 1228 CZ PHE A 76 -9.688 -4.222 2.113 1.00 0.00 C ATOM 0 HA PHE A 76 -12.459 -0.216 -1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.933 -0.478 -0.871 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.052 0.028 0.379 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.537 -3.403 -1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.182 -0.865 2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.908 -5.365 0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.549 -2.826 3.748 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.413 -5.076 2.714 1.00 0.00 H new ATOM 1238 N TRP A 77 -10.194 -1.888 -2.721 1.00 0.00 N ATOM 1239 CA TRP A 77 -9.756 -2.537 -3.983 1.00 0.00 C ATOM 1240 C TRP A 77 -8.608 -3.508 -3.705 1.00 0.00 C ATOM 1241 O TRP A 77 -8.190 -3.688 -2.579 1.00 0.00 O ATOM 1242 CB TRP A 77 -9.311 -1.460 -4.971 1.00 0.00 C ATOM 1243 CG TRP A 77 -8.343 -0.543 -4.324 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -8.655 0.521 -3.546 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.907 -0.577 -4.415 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -7.487 1.140 -3.157 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -6.382 0.502 -3.671 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.020 -1.436 -5.073 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -5.017 0.724 -3.585 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -4.642 -1.215 -4.996 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -4.144 -0.134 -4.252 1.00 0.00 C ATOM 0 H TRP A 77 -9.450 -1.532 -2.121 1.00 0.00 H new ATOM 0 HA TRP A 77 -10.586 -3.100 -4.410 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.855 -1.924 -5.846 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -10.176 -0.898 -5.323 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.653 0.832 -3.276 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -7.447 1.968 -2.562 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.401 -2.272 -5.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -4.634 1.552 -3.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -3.960 -1.877 -5.509 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -3.079 0.034 -4.196 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.108 -4.151 -4.724 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.003 -5.128 -4.528 1.00 0.00 C ATOM 1264 C ARG A 78 -6.287 -5.359 -5.860 1.00 0.00 C ATOM 1265 O ARG A 78 -6.404 -4.580 -6.784 1.00 0.00 O ATOM 1266 CB ARG A 78 -7.601 -6.450 -4.042 1.00 0.00 C ATOM 1267 CG ARG A 78 -8.572 -6.983 -5.099 1.00 0.00 C ATOM 1268 CD ARG A 78 -9.779 -7.627 -4.414 1.00 0.00 C ATOM 1269 NE ARG A 78 -10.240 -8.792 -5.219 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.516 -9.052 -5.322 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -12.306 -8.856 -4.301 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -12.001 -9.507 -6.444 1.00 0.00 N ATOM 0 H ARG A 78 -8.420 -4.040 -5.689 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.292 -4.745 -3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.809 -7.176 -3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.121 -6.301 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.900 -6.171 -5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.069 -7.713 -5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.511 -7.949 -3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.584 -6.900 -4.312 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.559 -9.387 -5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.927 -8.500 -3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.302 -9.059 -4.381 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.384 -9.660 -7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.997 -9.710 -6.524 1.00 0.00 H new ATOM 1286 N ILE A 79 -5.564 -6.440 -5.970 1.00 0.00 N ATOM 1287 CA ILE A 79 -4.857 -6.745 -7.248 1.00 0.00 C ATOM 1288 C ILE A 79 -5.630 -7.857 -7.957 1.00 0.00 C ATOM 1289 O ILE A 79 -6.471 -8.511 -7.372 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.404 -7.168 -6.957 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -2.923 -8.232 -7.943 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.301 -7.738 -5.550 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -1.579 -8.773 -7.462 1.00 0.00 C ATOM 0 H ILE A 79 -5.432 -7.127 -5.228 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.817 -5.865 -7.890 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.779 -6.280 -7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.652 -9.039 -8.013 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.823 -7.805 -8.941 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.271 -8.035 -5.352 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.606 -6.981 -4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.952 -8.607 -5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.223 -9.534 -8.157 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.855 -7.959 -7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.697 -9.213 -6.472 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.367 -8.074 -9.212 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.103 -9.136 -9.942 1.00 0.00 C ATOM 1307 C ASP A 80 -5.739 -10.498 -9.352 1.00 0.00 C ATOM 1308 O ASP A 80 -4.716 -10.646 -8.716 1.00 0.00 O ATOM 1309 CB ASP A 80 -5.736 -9.099 -11.423 1.00 0.00 C ATOM 1310 CG ASP A 80 -6.910 -8.535 -12.226 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -7.754 -7.889 -11.628 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -6.943 -8.758 -13.425 1.00 0.00 O ATOM 0 H ASP A 80 -4.676 -7.563 -9.762 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.175 -8.969 -9.840 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.849 -8.483 -11.574 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.491 -10.102 -11.773 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.598 -11.451 -9.574 1.00 0.00 N ATOM 1318 CA PRO A 81 -6.408 -12.817 -9.065 1.00 0.00 C ATOM 1319 C PRO A 81 -5.403 -13.589 -9.924 1.00 0.00 C ATOM 1320 O PRO A 81 -4.403 -14.080 -9.436 1.00 0.00 O ATOM 1321 CB PRO A 81 -7.808 -13.432 -9.169 1.00 0.00 C ATOM 1322 CG PRO A 81 -8.574 -12.603 -10.229 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.838 -11.256 -10.355 1.00 0.00 C ATOM 0 HA PRO A 81 -6.007 -12.842 -8.052 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.751 -14.480 -9.463 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.319 -13.399 -8.207 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.595 -13.124 -11.186 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.610 -12.451 -9.927 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.621 -11.016 -11.396 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.436 -10.436 -9.957 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.665 -13.717 -11.194 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.731 -14.475 -12.075 1.00 0.00 C ATOM 1333 C ALA A 82 -3.683 -13.548 -12.682 1.00 0.00 C ATOM 1334 O ALA A 82 -3.075 -13.867 -13.685 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.522 -15.134 -13.199 1.00 0.00 C ATOM 0 H ALA A 82 -6.485 -13.330 -11.661 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.225 -15.230 -11.474 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.842 -15.689 -13.845 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.258 -15.817 -12.774 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.033 -14.368 -13.782 1.00 0.00 H new ATOM 1341 N SER A 83 -3.440 -12.421 -12.087 1.00 0.00 N ATOM 1342 CA SER A 83 -2.407 -11.518 -12.641 1.00 0.00 C ATOM 1343 C SER A 83 -1.344 -11.304 -11.577 1.00 0.00 C ATOM 1344 O SER A 83 -0.330 -10.713 -11.832 1.00 0.00 O ATOM 1345 CB SER A 83 -3.022 -10.171 -13.020 1.00 0.00 C ATOM 1346 OG SER A 83 -4.357 -10.369 -13.466 1.00 0.00 O ATOM 0 H SER A 83 -3.910 -12.088 -11.245 1.00 0.00 H new ATOM 0 HA SER A 83 -1.973 -11.964 -13.536 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.010 -9.499 -12.162 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.432 -9.697 -13.804 1.00 0.00 H new ATOM 0 HG SER A 83 -4.698 -9.537 -13.856 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.577 -11.778 -10.380 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.580 -11.585 -9.295 1.00 0.00 C ATOM 1354 C GLU A 84 0.670 -12.415 -9.559 1.00 0.00 C ATOM 1355 O GLU A 84 1.618 -12.355 -8.813 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.194 -11.987 -7.952 1.00 0.00 C ATOM 1357 CG GLU A 84 -0.133 -11.886 -6.855 1.00 0.00 C ATOM 1358 CD GLU A 84 -0.808 -11.948 -5.484 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -1.359 -12.988 -5.162 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -0.763 -10.954 -4.778 1.00 0.00 O ATOM 0 H GLU A 84 -2.417 -12.290 -10.111 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.298 -10.533 -9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.038 -11.338 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.580 -13.005 -8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.587 -12.699 -6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.423 -10.954 -6.957 1.00 0.00 H new ATOM 1367 N ALA A 85 0.699 -13.178 -10.608 1.00 0.00 N ATOM 1368 CA ALA A 85 1.930 -13.966 -10.885 1.00 0.00 C ATOM 1369 C ALA A 85 2.844 -13.148 -11.803 1.00 0.00 C ATOM 1370 O ALA A 85 4.054 -13.193 -11.693 1.00 0.00 O ATOM 1371 CB ALA A 85 1.564 -15.286 -11.565 1.00 0.00 C ATOM 0 H ALA A 85 -0.061 -13.292 -11.278 1.00 0.00 H new ATOM 0 HA ALA A 85 2.443 -14.185 -9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.471 -15.856 -11.764 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.909 -15.862 -10.912 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.051 -15.081 -12.504 1.00 0.00 H new ATOM 1377 N LYS A 86 2.271 -12.405 -12.714 1.00 0.00 N ATOM 1378 CA LYS A 86 3.099 -11.588 -13.649 1.00 0.00 C ATOM 1379 C LYS A 86 3.286 -10.166 -13.100 1.00 0.00 C ATOM 1380 O LYS A 86 4.315 -9.550 -13.299 1.00 0.00 O ATOM 1381 CB LYS A 86 2.400 -11.517 -15.008 1.00 0.00 C ATOM 1382 CG LYS A 86 3.446 -11.437 -16.120 1.00 0.00 C ATOM 1383 CD LYS A 86 3.263 -10.132 -16.898 1.00 0.00 C ATOM 1384 CE LYS A 86 3.881 -8.976 -16.110 1.00 0.00 C ATOM 1385 NZ LYS A 86 2.803 -8.215 -15.417 1.00 0.00 N ATOM 0 H LYS A 86 1.263 -12.329 -12.851 1.00 0.00 H new ATOM 0 HA LYS A 86 4.078 -12.055 -13.754 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.770 -12.395 -15.150 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.746 -10.646 -15.047 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.449 -11.482 -15.695 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.345 -12.290 -16.791 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.735 -10.211 -17.878 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.203 -9.944 -17.069 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.596 -9.359 -15.382 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.432 -8.317 -16.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.227 -7.563 -14.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.257 -7.672 -16.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.171 -8.878 -14.924 1.00 0.00 H new ATOM 1399 N LEU A 87 2.304 -9.633 -12.420 1.00 0.00 N ATOM 1400 CA LEU A 87 2.439 -8.248 -11.875 1.00 0.00 C ATOM 1401 C LEU A 87 3.391 -8.258 -10.698 1.00 0.00 C ATOM 1402 O LEU A 87 3.853 -7.234 -10.235 1.00 0.00 O ATOM 1403 CB LEU A 87 1.070 -7.722 -11.429 1.00 0.00 C ATOM 1404 CG LEU A 87 0.420 -8.661 -10.403 1.00 0.00 C ATOM 1405 CD1 LEU A 87 0.746 -8.198 -8.992 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -1.105 -8.631 -10.573 1.00 0.00 C ATOM 0 H LEU A 87 1.417 -10.095 -12.219 1.00 0.00 H new ATOM 0 HA LEU A 87 2.832 -7.595 -12.654 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.183 -6.728 -10.995 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.417 -7.619 -12.296 1.00 0.00 H new ATOM 0 HG LEU A 87 0.803 -9.669 -10.563 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.280 -8.871 -8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.826 -8.203 -8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.365 -7.187 -8.844 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.566 -9.298 -9.844 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.469 -7.615 -10.416 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.365 -8.958 -11.580 1.00 0.00 H new ATOM 1418 N VAL A 88 3.678 -9.412 -10.214 1.00 0.00 N ATOM 1419 CA VAL A 88 4.590 -9.537 -9.063 1.00 0.00 C ATOM 1420 C VAL A 88 6.040 -9.621 -9.542 1.00 0.00 C ATOM 1421 O VAL A 88 6.956 -9.214 -8.856 1.00 0.00 O ATOM 1422 CB VAL A 88 4.236 -10.804 -8.323 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.929 -10.606 -7.557 1.00 0.00 C ATOM 1424 CG2 VAL A 88 4.101 -11.950 -9.330 1.00 0.00 C ATOM 0 H VAL A 88 3.314 -10.295 -10.572 1.00 0.00 H new ATOM 0 HA VAL A 88 4.488 -8.667 -8.414 1.00 0.00 H new ATOM 0 HB VAL A 88 5.021 -11.048 -7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.677 -11.523 -7.024 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.046 -9.791 -6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.130 -10.362 -8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.845 -12.869 -8.803 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.316 -11.713 -10.048 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.046 -12.085 -9.857 1.00 0.00 H new ATOM 1434 N GLU A 89 6.258 -10.162 -10.709 1.00 0.00 N ATOM 1435 CA GLU A 89 7.653 -10.285 -11.220 1.00 0.00 C ATOM 1436 C GLU A 89 8.308 -8.906 -11.201 1.00 0.00 C ATOM 1437 O GLU A 89 9.500 -8.776 -11.006 1.00 0.00 O ATOM 1438 CB GLU A 89 7.634 -10.824 -12.653 1.00 0.00 C ATOM 1439 CG GLU A 89 8.339 -12.181 -12.696 1.00 0.00 C ATOM 1440 CD GLU A 89 7.354 -13.282 -12.302 1.00 0.00 C ATOM 1441 OE1 GLU A 89 6.487 -13.010 -11.487 1.00 0.00 O ATOM 1442 OE2 GLU A 89 7.482 -14.379 -12.821 1.00 0.00 O ATOM 0 H GLU A 89 5.533 -10.523 -11.329 1.00 0.00 H new ATOM 0 HA GLU A 89 8.217 -10.973 -10.590 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.606 -10.925 -13.002 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.131 -10.123 -13.324 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.729 -12.368 -13.697 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.191 -12.181 -12.017 1.00 0.00 H new ATOM 1449 N GLN A 90 7.533 -7.875 -11.379 1.00 0.00 N ATOM 1450 CA GLN A 90 8.105 -6.504 -11.345 1.00 0.00 C ATOM 1451 C GLN A 90 8.062 -6.003 -9.902 1.00 0.00 C ATOM 1452 O GLN A 90 8.815 -5.134 -9.508 1.00 0.00 O ATOM 1453 CB GLN A 90 7.274 -5.579 -12.237 1.00 0.00 C ATOM 1454 CG GLN A 90 8.207 -4.729 -13.104 1.00 0.00 C ATOM 1455 CD GLN A 90 8.994 -5.633 -14.056 1.00 0.00 C ATOM 1456 OE1 GLN A 90 10.162 -5.403 -14.305 1.00 0.00 O ATOM 1457 NE2 GLN A 90 8.403 -6.660 -14.603 1.00 0.00 N ATOM 0 H GLN A 90 6.528 -7.923 -11.547 1.00 0.00 H new ATOM 0 HA GLN A 90 9.132 -6.514 -11.709 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.609 -6.167 -12.869 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.644 -4.935 -11.624 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.628 -4.002 -13.673 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.893 -4.165 -12.472 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.423 -6.855 -14.396 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.921 -7.268 -15.238 1.00 0.00 H new ATOM 1466 N ALA A 91 7.178 -6.552 -9.111 1.00 0.00 N ATOM 1467 CA ALA A 91 7.069 -6.122 -7.689 1.00 0.00 C ATOM 1468 C ALA A 91 8.435 -6.231 -7.006 1.00 0.00 C ATOM 1469 O ALA A 91 8.933 -5.275 -6.447 1.00 0.00 O ATOM 1470 CB ALA A 91 6.048 -6.994 -6.964 1.00 0.00 C ATOM 0 H ALA A 91 6.524 -7.283 -9.392 1.00 0.00 H new ATOM 0 HA ALA A 91 6.739 -5.084 -7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.971 -6.676 -5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.076 -6.894 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.367 -8.036 -7.002 1.00 0.00 H new ATOM 1476 N PHE A 92 9.049 -7.383 -7.050 1.00 0.00 N ATOM 1477 CA PHE A 92 10.386 -7.535 -6.405 1.00 0.00 C ATOM 1478 C PHE A 92 11.478 -7.150 -7.402 1.00 0.00 C ATOM 1479 O PHE A 92 12.419 -7.887 -7.622 1.00 0.00 O ATOM 1480 CB PHE A 92 10.593 -8.991 -5.973 1.00 0.00 C ATOM 1481 CG PHE A 92 9.266 -9.607 -5.602 1.00 0.00 C ATOM 1482 CD1 PHE A 92 8.409 -8.943 -4.716 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.894 -10.841 -6.144 1.00 0.00 C ATOM 1484 CE1 PHE A 92 7.179 -9.516 -4.372 1.00 0.00 C ATOM 1485 CE2 PHE A 92 7.664 -11.414 -5.801 1.00 0.00 C ATOM 1486 CZ PHE A 92 6.806 -10.751 -4.915 1.00 0.00 C ATOM 0 H PHE A 92 8.685 -8.222 -7.502 1.00 0.00 H new ATOM 0 HA PHE A 92 10.436 -6.886 -5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 92 11.054 -9.558 -6.782 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.275 -9.035 -5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.697 -7.989 -4.298 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.556 -11.352 -6.827 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.518 -9.005 -3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.377 -12.367 -6.220 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.856 -11.193 -4.651 1.00 0.00 H new ATOM 1496 N ARG A 93 11.365 -6.000 -8.012 1.00 0.00 N ATOM 1497 CA ARG A 93 12.402 -5.578 -8.997 1.00 0.00 C ATOM 1498 C ARG A 93 12.747 -4.103 -8.783 1.00 0.00 C ATOM 1499 O ARG A 93 11.906 -3.305 -8.424 1.00 0.00 O ATOM 1500 CB ARG A 93 11.867 -5.773 -10.416 1.00 0.00 C ATOM 1501 CG ARG A 93 12.803 -6.702 -11.192 1.00 0.00 C ATOM 1502 CD ARG A 93 11.975 -7.709 -11.990 1.00 0.00 C ATOM 1503 NE ARG A 93 12.512 -7.805 -13.376 1.00 0.00 N ATOM 1504 CZ ARG A 93 11.983 -8.644 -14.225 1.00 0.00 C ATOM 1505 NH1 ARG A 93 10.801 -9.147 -13.996 1.00 0.00 N ATOM 1506 NH2 ARG A 93 12.637 -8.978 -15.303 1.00 0.00 N ATOM 0 H ARG A 93 10.602 -5.337 -7.871 1.00 0.00 H new ATOM 0 HA ARG A 93 13.298 -6.183 -8.858 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.863 -6.196 -10.382 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.790 -4.811 -10.922 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.435 -6.121 -11.864 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.467 -7.225 -10.503 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.007 -8.686 -11.508 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.930 -7.399 -12.014 1.00 0.00 H new ATOM 0 HE ARG A 93 13.293 -7.215 -13.662 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.290 -8.885 -13.153 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.388 -9.802 -14.660 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.561 -8.584 -15.482 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.225 -9.633 -15.967 1.00 0.00 H new ATOM 1520 N LYS A 94 13.979 -3.735 -9.007 1.00 0.00 N ATOM 1521 CA LYS A 94 14.380 -2.312 -8.822 1.00 0.00 C ATOM 1522 C LYS A 94 14.048 -1.522 -10.088 1.00 0.00 C ATOM 1523 O LYS A 94 14.004 -2.065 -11.175 1.00 0.00 O ATOM 1524 CB LYS A 94 15.884 -2.237 -8.552 1.00 0.00 C ATOM 1525 CG LYS A 94 16.208 -2.998 -7.265 1.00 0.00 C ATOM 1526 CD LYS A 94 17.414 -3.910 -7.499 1.00 0.00 C ATOM 1527 CE LYS A 94 18.389 -3.773 -6.329 1.00 0.00 C ATOM 1528 NZ LYS A 94 18.985 -5.104 -6.021 1.00 0.00 N ATOM 0 H LYS A 94 14.726 -4.360 -9.311 1.00 0.00 H new ATOM 0 HA LYS A 94 13.839 -1.888 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 94 16.437 -2.664 -9.389 1.00 0.00 H new ATOM 0 HB3 LYS A 94 16.197 -1.197 -8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 94 16.421 -2.296 -6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 94 15.347 -3.589 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 94 17.088 -4.945 -7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 94 17.909 -3.644 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.175 -3.060 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 94 17.870 -3.383 -5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 19.648 -5.012 -5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 18.230 -5.772 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 19.493 -5.458 -6.856 1.00 0.00 H new