USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= -2.14 K(o=-2,f=-11!) USER MOD Set 1.2: A 60 TYR OH : rot -53:sc= 0.103 USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= -10.7! C(o=-12!,f=-9.6!) USER MOD Set 2.2: A 49 ASN : amide:sc= 1.05 K(o=-9.6,f=-12!) USER MOD Set 3.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 40 TYR OH : rot 180:sc= -0.605 USER MOD Set 4.1: A 18 SER OG : rot -145:sc= -0.892! USER MOD Set 4.2: A 32 HIS : no HE2:sc= -9.43! C(o=-10!,f=-10!) USER MOD Set 5.1: A 6 TYR OH : rot -82:sc= 0.738 USER MOD Set 5.2: A 14 GLN :FLIP amide:sc= 1.24 F(o=0.87,f=3.1) USER MOD Set 5.3: A 37 TYR OH : rot -120:sc= 1.11 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 17 SER OG : rot 72:sc= -6.59! USER MOD Single : A 20 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.19) USER MOD Single : A 23 GLN : amide:sc= -0.0347 K(o=-0.035,f=-1.1) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -26:sc= 1.04 USER MOD Single : A 34 THR OG1 : rot -86:sc= -2.84! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.172 F(o=-1.3,f=-0.17) USER MOD Single : A 39 TYR OH : rot -83:sc= 0.127 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.74) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.57! C(o=-8.6!,f=-4.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.311 K(o=-0.31,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 8.105 4.728 -11.853 1.00 0.00 N ATOM 80 CA TYR A 6 6.743 4.181 -11.616 1.00 0.00 C ATOM 81 C TYR A 6 5.897 5.161 -10.826 1.00 0.00 C ATOM 82 O TYR A 6 6.040 5.310 -9.629 1.00 0.00 O ATOM 83 CB TYR A 6 6.841 2.874 -10.847 1.00 0.00 C ATOM 84 CG TYR A 6 7.806 1.982 -11.562 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.434 1.370 -12.762 1.00 0.00 C ATOM 86 CD2 TYR A 6 9.076 1.779 -11.028 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.347 0.544 -13.431 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.990 0.955 -11.692 1.00 0.00 C ATOM 89 CZ TYR A 6 9.625 0.336 -12.894 1.00 0.00 C ATOM 90 OH TYR A 6 10.525 -0.477 -13.551 1.00 0.00 O ATOM 0 HA TYR A 6 6.271 4.009 -12.584 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.178 3.058 -9.827 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.862 2.399 -10.779 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.448 1.533 -13.172 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.355 2.258 -10.101 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.066 0.068 -14.359 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.975 0.796 -11.279 1.00 0.00 H new ATOM 0 HH TYR A 6 10.335 -1.415 -13.338 1.00 0.00 H new ATOM 100 N SER A 7 4.994 5.801 -11.493 1.00 0.00 N ATOM 101 CA SER A 7 4.088 6.749 -10.803 1.00 0.00 C ATOM 102 C SER A 7 3.460 6.018 -9.616 1.00 0.00 C ATOM 103 O SER A 7 3.783 4.882 -9.348 1.00 0.00 O ATOM 104 CB SER A 7 2.997 7.165 -11.779 1.00 0.00 C ATOM 105 OG SER A 7 3.385 8.360 -12.443 1.00 0.00 O ATOM 0 H SER A 7 4.840 5.709 -12.497 1.00 0.00 H new ATOM 0 HA SER A 7 4.627 7.631 -10.458 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.824 6.372 -12.507 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.058 7.320 -11.247 1.00 0.00 H new ATOM 0 HG SER A 7 2.683 8.627 -13.073 1.00 0.00 H new ATOM 111 N TYR A 8 2.566 6.637 -8.903 1.00 0.00 N ATOM 112 CA TYR A 8 1.948 5.925 -7.751 1.00 0.00 C ATOM 113 C TYR A 8 0.572 5.396 -8.151 1.00 0.00 C ATOM 114 O TYR A 8 -0.232 5.020 -7.322 1.00 0.00 O ATOM 115 CB TYR A 8 1.845 6.871 -6.561 1.00 0.00 C ATOM 116 CG TYR A 8 3.217 7.433 -6.285 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.349 6.635 -6.498 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.363 8.746 -5.827 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.626 7.149 -6.254 1.00 0.00 C ATOM 120 CE2 TYR A 8 4.640 9.259 -5.581 1.00 0.00 C ATOM 121 CZ TYR A 8 5.773 8.462 -5.795 1.00 0.00 C ATOM 122 OH TYR A 8 7.032 8.972 -5.555 1.00 0.00 O ATOM 0 H TYR A 8 2.239 7.590 -9.062 1.00 0.00 H new ATOM 0 HA TYR A 8 2.571 5.078 -7.464 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.141 7.675 -6.775 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.468 6.341 -5.686 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.235 5.621 -6.851 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.491 9.362 -5.664 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.498 6.533 -6.420 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.754 10.272 -5.225 1.00 0.00 H new ATOM 0 HH TYR A 8 6.956 9.897 -5.242 1.00 0.00 H new ATOM 132 N ALA A 9 0.315 5.338 -9.428 1.00 0.00 N ATOM 133 CA ALA A 9 -0.985 4.803 -9.914 1.00 0.00 C ATOM 134 C ALA A 9 -0.692 3.563 -10.756 1.00 0.00 C ATOM 135 O ALA A 9 -1.400 2.578 -10.709 1.00 0.00 O ATOM 136 CB ALA A 9 -1.692 5.855 -10.766 1.00 0.00 C ATOM 0 H ALA A 9 0.956 5.641 -10.161 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.632 4.549 -9.074 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.644 5.458 -11.119 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.872 6.748 -10.167 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.066 6.111 -11.621 1.00 0.00 H new ATOM 142 N GLN A 10 0.382 3.602 -11.498 1.00 0.00 N ATOM 143 CA GLN A 10 0.777 2.426 -12.319 1.00 0.00 C ATOM 144 C GLN A 10 1.699 1.573 -11.460 1.00 0.00 C ATOM 145 O GLN A 10 1.721 0.361 -11.555 1.00 0.00 O ATOM 146 CB GLN A 10 1.515 2.883 -13.582 1.00 0.00 C ATOM 147 CG GLN A 10 2.436 4.055 -13.245 1.00 0.00 C ATOM 148 CD GLN A 10 3.389 4.308 -14.416 1.00 0.00 C ATOM 149 OE1 GLN A 10 3.268 5.299 -15.109 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.338 3.448 -14.667 1.00 0.00 N ATOM 0 H GLN A 10 1.006 4.406 -11.570 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.102 1.861 -12.631 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.096 2.058 -13.994 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.797 3.180 -14.347 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.846 4.949 -13.043 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.004 3.837 -12.341 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.439 2.616 -14.085 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.978 3.608 -15.445 1.00 0.00 H new ATOM 159 N LEU A 11 2.436 2.207 -10.587 1.00 0.00 N ATOM 160 CA LEU A 11 3.329 1.449 -9.681 1.00 0.00 C ATOM 161 C LEU A 11 2.445 0.473 -8.912 1.00 0.00 C ATOM 162 O LEU A 11 2.802 -0.662 -8.670 1.00 0.00 O ATOM 163 CB LEU A 11 4.001 2.430 -8.719 1.00 0.00 C ATOM 164 CG LEU A 11 4.657 1.680 -7.564 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.170 1.691 -7.754 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.310 2.384 -6.253 1.00 0.00 C ATOM 0 H LEU A 11 2.454 3.220 -10.467 1.00 0.00 H new ATOM 0 HA LEU A 11 4.106 0.913 -10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.750 3.016 -9.252 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.263 3.132 -8.332 1.00 0.00 H new ATOM 0 HG LEU A 11 4.298 0.651 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.644 1.156 -6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.422 1.204 -8.696 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.527 2.721 -7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.775 1.854 -5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.679 3.409 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.228 2.391 -6.119 1.00 0.00 H new ATOM 178 N ILE A 12 1.273 0.923 -8.553 1.00 0.00 N ATOM 179 CA ILE A 12 0.315 0.049 -7.821 1.00 0.00 C ATOM 180 C ILE A 12 -0.116 -1.092 -8.732 1.00 0.00 C ATOM 181 O ILE A 12 -0.095 -2.247 -8.359 1.00 0.00 O ATOM 182 CB ILE A 12 -0.938 0.836 -7.462 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.595 2.286 -7.091 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.644 0.144 -6.299 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.615 2.336 -6.161 1.00 0.00 C ATOM 0 H ILE A 12 0.936 1.868 -8.738 1.00 0.00 H new ATOM 0 HA ILE A 12 0.803 -0.324 -6.921 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.598 0.865 -8.329 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.388 2.858 -7.995 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.452 2.754 -6.606 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.543 0.701 -6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.918 -0.870 -6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.976 0.105 -5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.840 3.373 -5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.395 1.783 -5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.475 1.888 -6.659 1.00 0.00 H new ATOM 197 N VAL A 13 -0.534 -0.765 -9.921 1.00 0.00 N ATOM 198 CA VAL A 13 -0.997 -1.814 -10.863 1.00 0.00 C ATOM 199 C VAL A 13 0.045 -2.927 -10.929 1.00 0.00 C ATOM 200 O VAL A 13 -0.277 -4.079 -11.131 1.00 0.00 O ATOM 201 CB VAL A 13 -1.182 -1.199 -12.248 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.706 -2.265 -13.211 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.189 -0.050 -12.154 1.00 0.00 C ATOM 0 H VAL A 13 -0.574 0.189 -10.281 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.946 -2.227 -10.520 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.228 -0.820 -12.616 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.839 -1.828 -14.201 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.991 -3.085 -13.270 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.663 -2.643 -12.850 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.327 0.395 -13.140 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.144 -0.432 -11.791 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.815 0.706 -11.464 1.00 0.00 H new ATOM 213 N GLN A 14 1.291 -2.611 -10.728 1.00 0.00 N ATOM 214 CA GLN A 14 2.317 -3.683 -10.748 1.00 0.00 C ATOM 215 C GLN A 14 2.164 -4.491 -9.461 1.00 0.00 C ATOM 216 O GLN A 14 2.451 -5.670 -9.409 1.00 0.00 O ATOM 217 CB GLN A 14 3.718 -3.071 -10.820 1.00 0.00 C ATOM 218 CG GLN A 14 4.413 -3.550 -12.097 1.00 0.00 C ATOM 219 CD GLN A 14 5.788 -2.892 -12.211 1.00 0.00 C ATOM 220 OE1 GLN A 14 5.865 -1.620 -12.492 1.00 0.00 O flip ATOM 221 NE2 GLN A 14 6.801 -3.540 -12.043 1.00 0.00 N flip ATOM 0 H GLN A 14 1.640 -1.669 -10.553 1.00 0.00 H new ATOM 0 HA GLN A 14 2.183 -4.323 -11.620 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.653 -1.983 -10.814 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.300 -3.361 -9.945 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.518 -4.635 -12.081 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.807 -3.302 -12.968 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.740 -4.534 -11.823 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.713 -3.090 -12.121 1.00 0.00 H new ATOM 230 N ALA A 15 1.692 -3.851 -8.422 1.00 0.00 N ATOM 231 CA ALA A 15 1.487 -4.555 -7.125 1.00 0.00 C ATOM 232 C ALA A 15 0.313 -5.534 -7.252 1.00 0.00 C ATOM 233 O ALA A 15 0.422 -6.689 -6.891 1.00 0.00 O ATOM 234 CB ALA A 15 1.186 -3.527 -6.026 1.00 0.00 C ATOM 0 H ALA A 15 1.439 -2.863 -8.419 1.00 0.00 H new ATOM 0 HA ALA A 15 2.390 -5.107 -6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.036 -4.042 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.024 -2.836 -5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.284 -2.972 -6.284 1.00 0.00 H new ATOM 240 N ILE A 16 -0.813 -5.090 -7.761 1.00 0.00 N ATOM 241 CA ILE A 16 -1.974 -6.025 -7.895 1.00 0.00 C ATOM 242 C ILE A 16 -1.848 -6.840 -9.182 1.00 0.00 C ATOM 243 O ILE A 16 -2.178 -8.009 -9.215 1.00 0.00 O ATOM 244 CB ILE A 16 -3.320 -5.278 -7.899 1.00 0.00 C ATOM 245 CG1 ILE A 16 -3.264 -4.000 -8.733 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.706 -4.897 -6.474 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.217 -4.336 -10.224 1.00 0.00 C ATOM 0 H ILE A 16 -0.976 -4.136 -8.084 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.955 -6.687 -7.029 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.057 -5.952 -8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.136 -3.382 -8.521 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.385 -3.417 -8.458 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.659 -4.369 -6.484 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.797 -5.799 -5.868 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.938 -4.251 -6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.177 -3.414 -10.804 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.331 -4.935 -10.434 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.109 -4.899 -10.498 1.00 0.00 H new ATOM 259 N SER A 17 -1.363 -6.252 -10.242 1.00 0.00 N ATOM 260 CA SER A 17 -1.219 -7.032 -11.500 1.00 0.00 C ATOM 261 C SER A 17 -0.310 -8.218 -11.208 1.00 0.00 C ATOM 262 O SER A 17 -0.324 -9.220 -11.895 1.00 0.00 O ATOM 263 CB SER A 17 -0.593 -6.160 -12.590 1.00 0.00 C ATOM 264 OG SER A 17 -1.477 -5.090 -12.909 1.00 0.00 O ATOM 0 H SER A 17 -1.064 -5.278 -10.290 1.00 0.00 H new ATOM 0 HA SER A 17 -2.195 -7.370 -11.849 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.364 -5.766 -12.250 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.393 -6.758 -13.479 1.00 0.00 H new ATOM 0 HG SER A 17 -1.486 -4.443 -12.173 1.00 0.00 H new ATOM 270 N SER A 18 0.476 -8.105 -10.174 1.00 0.00 N ATOM 271 CA SER A 18 1.390 -9.215 -9.806 1.00 0.00 C ATOM 272 C SER A 18 0.901 -9.866 -8.511 1.00 0.00 C ATOM 273 O SER A 18 1.387 -10.905 -8.113 1.00 0.00 O ATOM 274 CB SER A 18 2.804 -8.673 -9.600 1.00 0.00 C ATOM 275 OG SER A 18 3.549 -9.592 -8.813 1.00 0.00 O ATOM 0 H SER A 18 0.523 -7.287 -9.567 1.00 0.00 H new ATOM 0 HA SER A 18 1.401 -9.954 -10.607 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.292 -8.522 -10.563 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.765 -7.702 -9.107 1.00 0.00 H new ATOM 0 HG SER A 18 4.163 -9.100 -8.228 1.00 0.00 H new ATOM 281 N ALA A 19 -0.057 -9.271 -7.843 1.00 0.00 N ATOM 282 CA ALA A 19 -0.548 -9.889 -6.578 1.00 0.00 C ATOM 283 C ALA A 19 -1.085 -11.286 -6.879 1.00 0.00 C ATOM 284 O ALA A 19 -1.394 -11.605 -8.010 1.00 0.00 O ATOM 285 CB ALA A 19 -1.664 -9.034 -5.981 1.00 0.00 C ATOM 0 H ALA A 19 -0.512 -8.399 -8.115 1.00 0.00 H new ATOM 0 HA ALA A 19 0.273 -9.954 -5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.018 -9.491 -5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.283 -8.035 -5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.488 -8.965 -6.691 1.00 0.00 H new ATOM 291 N GLN A 20 -1.200 -12.123 -5.882 1.00 0.00 N ATOM 292 CA GLN A 20 -1.723 -13.497 -6.126 1.00 0.00 C ATOM 293 C GLN A 20 -2.925 -13.403 -7.065 1.00 0.00 C ATOM 294 O GLN A 20 -2.834 -13.714 -8.236 1.00 0.00 O ATOM 295 CB GLN A 20 -2.152 -14.128 -4.799 1.00 0.00 C ATOM 296 CG GLN A 20 -0.993 -14.059 -3.802 1.00 0.00 C ATOM 297 CD GLN A 20 0.272 -14.633 -4.445 1.00 0.00 C ATOM 298 OE1 GLN A 20 1.324 -14.029 -4.387 1.00 0.00 O ATOM 299 NE2 GLN A 20 0.213 -15.784 -5.058 1.00 0.00 N ATOM 0 H GLN A 20 -0.955 -11.915 -4.914 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.947 -14.116 -6.577 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.021 -13.605 -4.400 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.449 -15.165 -4.956 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.822 -13.026 -3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.241 -14.619 -2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.671 -16.291 -5.107 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.051 -16.176 -5.488 1.00 0.00 H new ATOM 308 N ASP A 21 -4.043 -12.953 -6.570 1.00 0.00 N ATOM 309 CA ASP A 21 -5.238 -12.812 -7.445 1.00 0.00 C ATOM 310 C ASP A 21 -5.238 -11.405 -8.045 1.00 0.00 C ATOM 311 O ASP A 21 -4.980 -11.217 -9.217 1.00 0.00 O ATOM 312 CB ASP A 21 -6.509 -13.021 -6.619 1.00 0.00 C ATOM 313 CG ASP A 21 -7.285 -14.218 -7.170 1.00 0.00 C ATOM 314 OD1 ASP A 21 -6.650 -15.194 -7.535 1.00 0.00 O ATOM 315 OD2 ASP A 21 -8.502 -14.139 -7.219 1.00 0.00 O ATOM 0 H ASP A 21 -4.181 -12.677 -5.598 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.208 -13.557 -8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.252 -13.191 -5.573 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.129 -12.125 -6.653 1.00 0.00 H new ATOM 320 N ARG A 22 -5.522 -10.415 -7.244 1.00 0.00 N ATOM 321 CA ARG A 22 -5.534 -9.018 -7.757 1.00 0.00 C ATOM 322 C ARG A 22 -5.918 -8.064 -6.621 1.00 0.00 C ATOM 323 O ARG A 22 -6.562 -7.054 -6.835 1.00 0.00 O ATOM 324 CB ARG A 22 -6.550 -8.903 -8.896 1.00 0.00 C ATOM 325 CG ARG A 22 -7.884 -9.509 -8.453 1.00 0.00 C ATOM 326 CD ARG A 22 -8.309 -10.597 -9.444 1.00 0.00 C ATOM 327 NE ARG A 22 -9.795 -10.616 -9.551 1.00 0.00 N ATOM 328 CZ ARG A 22 -10.384 -11.508 -10.301 1.00 0.00 C ATOM 329 NH1 ARG A 22 -10.356 -11.389 -11.600 1.00 0.00 N ATOM 330 NH2 ARG A 22 -11.002 -12.518 -9.751 1.00 0.00 N ATOM 0 H ARG A 22 -5.747 -10.515 -6.254 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.544 -8.755 -8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.687 -7.857 -9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.180 -9.420 -9.781 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.789 -9.931 -7.453 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.648 -8.733 -8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.865 -10.407 -10.421 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.945 -11.569 -9.112 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.352 -9.932 -9.038 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.874 -10.599 -12.030 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.816 -12.086 -12.186 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.025 -12.610 -8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.462 -13.215 -10.337 1.00 0.00 H new ATOM 344 N GLN A 23 -5.533 -8.378 -5.410 1.00 0.00 N ATOM 345 CA GLN A 23 -5.888 -7.491 -4.265 1.00 0.00 C ATOM 346 C GLN A 23 -4.813 -7.573 -3.173 1.00 0.00 C ATOM 347 O GLN A 23 -4.315 -8.635 -2.850 1.00 0.00 O ATOM 348 CB GLN A 23 -7.232 -7.938 -3.685 1.00 0.00 C ATOM 349 CG GLN A 23 -7.252 -9.463 -3.564 1.00 0.00 C ATOM 350 CD GLN A 23 -8.682 -9.936 -3.294 1.00 0.00 C ATOM 351 OE1 GLN A 23 -9.622 -9.432 -3.877 1.00 0.00 O ATOM 352 NE2 GLN A 23 -8.887 -10.890 -2.428 1.00 0.00 N ATOM 0 H GLN A 23 -4.991 -9.207 -5.167 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.954 -6.462 -4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.388 -7.483 -2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.047 -7.602 -4.326 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.875 -9.916 -4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.593 -9.783 -2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.098 -11.313 -1.939 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.836 -11.213 -2.240 1.00 0.00 H new ATOM 361 N LEU A 24 -4.464 -6.451 -2.596 1.00 0.00 N ATOM 362 CA LEU A 24 -3.438 -6.437 -1.517 1.00 0.00 C ATOM 363 C LEU A 24 -3.960 -5.602 -0.355 1.00 0.00 C ATOM 364 O LEU A 24 -4.844 -4.784 -0.514 1.00 0.00 O ATOM 365 CB LEU A 24 -2.115 -5.805 -1.997 1.00 0.00 C ATOM 366 CG LEU A 24 -2.192 -5.340 -3.454 1.00 0.00 C ATOM 367 CD1 LEU A 24 -2.500 -6.528 -4.359 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.268 -4.262 -3.605 1.00 0.00 C ATOM 0 H LEU A 24 -4.851 -5.537 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.249 -7.469 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.867 -4.957 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.308 -6.530 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.232 -4.915 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.554 -6.192 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.712 -7.275 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.455 -6.968 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.315 -3.938 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.235 -4.669 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.022 -3.411 -2.970 1.00 0.00 H new ATOM 380 N THR A 25 -3.401 -5.773 0.808 1.00 0.00 N ATOM 381 CA THR A 25 -3.851 -4.956 1.962 1.00 0.00 C ATOM 382 C THR A 25 -3.190 -3.585 1.843 1.00 0.00 C ATOM 383 O THR A 25 -2.352 -3.372 0.991 1.00 0.00 O ATOM 384 CB THR A 25 -3.427 -5.628 3.272 1.00 0.00 C ATOM 385 OG1 THR A 25 -2.095 -5.247 3.589 1.00 0.00 O ATOM 386 CG2 THR A 25 -3.501 -7.147 3.118 1.00 0.00 C ATOM 0 H THR A 25 -2.656 -6.440 1.008 1.00 0.00 H new ATOM 0 HA THR A 25 -4.937 -4.858 1.963 1.00 0.00 H new ATOM 0 HB THR A 25 -4.096 -5.314 4.073 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.823 -5.675 4.428 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.199 -7.622 4.051 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.523 -7.439 2.876 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.834 -7.464 2.317 1.00 0.00 H new ATOM 394 N LEU A 26 -3.552 -2.652 2.670 1.00 0.00 N ATOM 395 CA LEU A 26 -2.922 -1.309 2.558 1.00 0.00 C ATOM 396 C LEU A 26 -1.401 -1.470 2.524 1.00 0.00 C ATOM 397 O LEU A 26 -0.714 -0.789 1.791 1.00 0.00 O ATOM 398 CB LEU A 26 -3.319 -0.440 3.754 1.00 0.00 C ATOM 399 CG LEU A 26 -3.264 1.033 3.346 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.138 1.859 4.292 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.819 1.528 3.427 1.00 0.00 C ATOM 0 H LEU A 26 -4.247 -2.755 3.410 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.264 -0.826 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.323 -0.699 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.646 -0.623 4.591 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.631 1.141 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.098 2.909 4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.168 1.506 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.771 1.752 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.777 2.578 3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.454 1.419 4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.195 0.940 2.754 1.00 0.00 H new ATOM 413 N SER A 27 -0.870 -2.368 3.310 1.00 0.00 N ATOM 414 CA SER A 27 0.608 -2.568 3.323 1.00 0.00 C ATOM 415 C SER A 27 0.990 -3.771 2.455 1.00 0.00 C ATOM 416 O SER A 27 1.961 -4.452 2.724 1.00 0.00 O ATOM 417 CB SER A 27 1.067 -2.822 4.755 1.00 0.00 C ATOM 418 OG SER A 27 1.442 -1.588 5.355 1.00 0.00 O ATOM 0 H SER A 27 -1.395 -2.971 3.943 1.00 0.00 H new ATOM 0 HA SER A 27 1.089 -1.674 2.926 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.266 -3.290 5.328 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.910 -3.514 4.762 1.00 0.00 H new ATOM 0 HG SER A 27 1.736 -1.748 6.276 1.00 0.00 H new ATOM 424 N GLY A 28 0.261 -4.028 1.406 1.00 0.00 N ATOM 425 CA GLY A 28 0.619 -5.172 0.520 1.00 0.00 C ATOM 426 C GLY A 28 1.344 -4.593 -0.681 1.00 0.00 C ATOM 427 O GLY A 28 2.255 -5.173 -1.238 1.00 0.00 O ATOM 0 H GLY A 28 -0.564 -3.499 1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.254 -5.884 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.275 -5.712 0.207 1.00 0.00 H new ATOM 431 N ILE A 29 0.921 -3.431 -1.061 1.00 0.00 N ATOM 432 CA ILE A 29 1.516 -2.718 -2.210 1.00 0.00 C ATOM 433 C ILE A 29 3.014 -2.526 -2.002 1.00 0.00 C ATOM 434 O ILE A 29 3.818 -2.809 -2.869 1.00 0.00 O ATOM 435 CB ILE A 29 0.840 -1.360 -2.293 1.00 0.00 C ATOM 436 CG1 ILE A 29 1.576 -0.480 -3.284 1.00 0.00 C ATOM 437 CG2 ILE A 29 0.827 -0.686 -0.920 1.00 0.00 C ATOM 438 CD1 ILE A 29 0.572 -0.025 -4.324 1.00 0.00 C ATOM 0 H ILE A 29 0.159 -2.928 -0.605 1.00 0.00 H new ATOM 0 HA ILE A 29 1.372 -3.291 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.188 -1.502 -2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.020 0.378 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.391 -1.030 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.339 0.286 -0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.282 -1.311 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.851 -0.552 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.069 0.612 -5.055 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.150 -0.895 -4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.227 0.535 -3.838 1.00 0.00 H new ATOM 450 N TYR A 30 3.392 -2.029 -0.865 1.00 0.00 N ATOM 451 CA TYR A 30 4.838 -1.794 -0.598 1.00 0.00 C ATOM 452 C TYR A 30 5.572 -3.131 -0.519 1.00 0.00 C ATOM 453 O TYR A 30 6.509 -3.380 -1.250 1.00 0.00 O ATOM 454 CB TYR A 30 5.004 -1.050 0.730 1.00 0.00 C ATOM 455 CG TYR A 30 3.853 -0.094 0.927 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.835 1.130 0.251 1.00 0.00 C ATOM 457 CD2 TYR A 30 2.800 -0.436 1.781 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.767 2.014 0.430 1.00 0.00 C ATOM 459 CE2 TYR A 30 1.731 0.448 1.963 1.00 0.00 C ATOM 460 CZ TYR A 30 1.713 1.674 1.286 1.00 0.00 C ATOM 461 OH TYR A 30 0.658 2.547 1.462 1.00 0.00 O ATOM 0 H TYR A 30 2.763 -1.773 -0.104 1.00 0.00 H new ATOM 0 HA TYR A 30 5.256 -1.195 -1.407 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.042 -1.762 1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.947 -0.504 0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.647 1.393 -0.410 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.812 -1.383 2.300 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.755 2.959 -0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.920 0.185 2.626 1.00 0.00 H new ATOM 0 HH TYR A 30 0.961 3.464 1.295 1.00 0.00 H new ATOM 471 N ALA A 31 5.158 -3.991 0.365 1.00 0.00 N ATOM 472 CA ALA A 31 5.838 -5.308 0.490 1.00 0.00 C ATOM 473 C ALA A 31 5.846 -6.017 -0.867 1.00 0.00 C ATOM 474 O ALA A 31 6.681 -6.860 -1.129 1.00 0.00 O ATOM 475 CB ALA A 31 5.092 -6.168 1.513 1.00 0.00 C ATOM 0 H ALA A 31 4.379 -3.840 1.006 1.00 0.00 H new ATOM 0 HA ALA A 31 6.865 -5.155 0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.588 -7.134 1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.091 -5.665 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.065 -6.318 1.182 1.00 0.00 H new ATOM 481 N HIS A 32 4.923 -5.691 -1.731 1.00 0.00 N ATOM 482 CA HIS A 32 4.886 -6.356 -3.062 1.00 0.00 C ATOM 483 C HIS A 32 5.964 -5.764 -3.975 1.00 0.00 C ATOM 484 O HIS A 32 6.879 -6.445 -4.396 1.00 0.00 O ATOM 485 CB HIS A 32 3.513 -6.147 -3.700 1.00 0.00 C ATOM 486 CG HIS A 32 3.469 -6.871 -5.015 1.00 0.00 C ATOM 487 ND1 HIS A 32 2.758 -8.048 -5.189 1.00 0.00 N ATOM 488 CD2 HIS A 32 4.058 -6.605 -6.226 1.00 0.00 C ATOM 489 CE1 HIS A 32 2.937 -8.444 -6.462 1.00 0.00 C ATOM 490 NE2 HIS A 32 3.721 -7.599 -7.138 1.00 0.00 N ATOM 0 H HIS A 32 4.195 -4.994 -1.572 1.00 0.00 H new ATOM 0 HA HIS A 32 5.072 -7.422 -2.931 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.730 -6.519 -3.039 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.325 -5.084 -3.849 1.00 0.00 H new ATOM 0 HD1 HIS A 32 2.201 -8.526 -4.481 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.687 -5.753 -6.438 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.500 -9.336 -6.886 1.00 0.00 H new ATOM 498 N ILE A 33 5.858 -4.502 -4.289 1.00 0.00 N ATOM 499 CA ILE A 33 6.866 -3.863 -5.183 1.00 0.00 C ATOM 500 C ILE A 33 8.270 -4.078 -4.625 1.00 0.00 C ATOM 501 O ILE A 33 9.233 -4.187 -5.358 1.00 0.00 O ATOM 502 CB ILE A 33 6.598 -2.365 -5.254 1.00 0.00 C ATOM 503 CG1 ILE A 33 6.655 -1.776 -3.846 1.00 0.00 C ATOM 504 CG2 ILE A 33 5.216 -2.113 -5.862 1.00 0.00 C ATOM 505 CD1 ILE A 33 8.109 -1.457 -3.492 1.00 0.00 C ATOM 0 H ILE A 33 5.115 -3.884 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 33 6.792 -4.310 -6.175 1.00 0.00 H new ATOM 0 HB ILE A 33 7.354 -1.890 -5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.048 -0.872 -3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.240 -2.482 -3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.030 -1.040 -5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.178 -2.533 -6.867 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.454 -2.586 -5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.155 -1.036 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.702 -2.371 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.508 -0.736 -4.206 1.00 0.00 H new ATOM 517 N THR A 34 8.391 -4.127 -3.333 1.00 0.00 N ATOM 518 CA THR A 34 9.733 -4.320 -2.715 1.00 0.00 C ATOM 519 C THR A 34 10.361 -5.606 -3.256 1.00 0.00 C ATOM 520 O THR A 34 11.557 -5.805 -3.172 1.00 0.00 O ATOM 521 CB THR A 34 9.581 -4.427 -1.195 1.00 0.00 C ATOM 522 OG1 THR A 34 8.289 -4.929 -0.884 1.00 0.00 O ATOM 523 CG2 THR A 34 9.758 -3.045 -0.565 1.00 0.00 C ATOM 0 H THR A 34 7.618 -4.042 -2.673 1.00 0.00 H new ATOM 0 HA THR A 34 10.373 -3.472 -2.959 1.00 0.00 H new ATOM 0 HB THR A 34 10.339 -5.104 -0.800 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.651 -4.186 -0.842 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.650 -3.122 0.517 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.749 -2.660 -0.804 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.001 -2.366 -0.958 1.00 0.00 H new ATOM 531 N LYS A 35 9.571 -6.472 -3.829 1.00 0.00 N ATOM 532 CA LYS A 35 10.136 -7.729 -4.390 1.00 0.00 C ATOM 533 C LYS A 35 10.719 -7.429 -5.773 1.00 0.00 C ATOM 534 O LYS A 35 11.592 -8.122 -6.258 1.00 0.00 O ATOM 535 CB LYS A 35 9.032 -8.781 -4.515 1.00 0.00 C ATOM 536 CG LYS A 35 9.504 -10.096 -3.889 1.00 0.00 C ATOM 537 CD LYS A 35 10.201 -10.947 -4.952 1.00 0.00 C ATOM 538 CE LYS A 35 11.071 -12.005 -4.270 1.00 0.00 C ATOM 539 NZ LYS A 35 10.296 -13.271 -4.135 1.00 0.00 N ATOM 0 H LYS A 35 8.562 -6.363 -3.932 1.00 0.00 H new ATOM 0 HA LYS A 35 10.916 -8.111 -3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.127 -8.434 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.780 -8.936 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.188 -9.894 -3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.655 -10.638 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.460 -11.427 -5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.815 -10.315 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.975 -12.180 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.388 -11.653 -3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.886 -13.991 -3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.446 -13.098 -3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.015 -13.608 -5.078 1.00 0.00 H new ATOM 553 N HIS A 36 10.243 -6.391 -6.409 1.00 0.00 N ATOM 554 CA HIS A 36 10.766 -6.032 -7.759 1.00 0.00 C ATOM 555 C HIS A 36 11.641 -4.779 -7.651 1.00 0.00 C ATOM 556 O HIS A 36 12.771 -4.760 -8.098 1.00 0.00 O ATOM 557 CB HIS A 36 9.593 -5.757 -8.704 1.00 0.00 C ATOM 558 CG HIS A 36 8.742 -6.992 -8.822 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.077 -7.740 -7.882 1.00 0.00 N flip ATOM 560 CD2 HIS A 36 8.492 -7.605 -10.040 1.00 0.00 C flip ATOM 561 CE1 HIS A 36 7.422 -8.799 -8.505 1.00 0.00 C flip ATOM 562 NE2 HIS A 36 7.706 -8.671 -9.804 1.00 0.00 N flip ATOM 0 H HIS A 36 9.513 -5.775 -6.050 1.00 0.00 H new ATOM 0 HA HIS A 36 11.361 -6.857 -8.150 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.996 -4.926 -8.328 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.965 -5.464 -9.686 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.861 -7.285 -11.003 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.815 -9.560 -8.038 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.368 -9.304 -10.529 1.00 0.00 H new ATOM 570 N TYR A 37 11.127 -3.729 -7.063 1.00 0.00 N ATOM 571 CA TYR A 37 11.929 -2.479 -6.929 1.00 0.00 C ATOM 572 C TYR A 37 12.440 -2.350 -5.488 1.00 0.00 C ATOM 573 O TYR A 37 11.681 -2.032 -4.594 1.00 0.00 O ATOM 574 CB TYR A 37 11.048 -1.271 -7.265 1.00 0.00 C ATOM 575 CG TYR A 37 10.435 -1.463 -8.628 1.00 0.00 C ATOM 576 CD1 TYR A 37 11.135 -2.166 -9.613 1.00 0.00 C ATOM 577 CD2 TYR A 37 9.164 -0.944 -8.906 1.00 0.00 C ATOM 578 CE1 TYR A 37 10.568 -2.353 -10.878 1.00 0.00 C ATOM 579 CE2 TYR A 37 8.595 -1.130 -10.171 1.00 0.00 C ATOM 580 CZ TYR A 37 9.297 -1.836 -11.157 1.00 0.00 C ATOM 581 OH TYR A 37 8.737 -2.021 -12.405 1.00 0.00 O ATOM 0 H TYR A 37 10.187 -3.685 -6.670 1.00 0.00 H new ATOM 0 HA TYR A 37 12.776 -2.516 -7.614 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.265 -1.158 -6.515 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.642 -0.357 -7.247 1.00 0.00 H new ATOM 0 HD1 TYR A 37 12.115 -2.565 -9.397 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.624 -0.401 -8.145 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.110 -2.895 -11.639 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.615 -0.730 -10.387 1.00 0.00 H new ATOM 0 HH TYR A 37 8.559 -1.149 -12.816 1.00 0.00 H new ATOM 591 N PRO A 38 13.713 -2.600 -5.304 1.00 0.00 N ATOM 592 CA PRO A 38 14.350 -2.518 -3.977 1.00 0.00 C ATOM 593 C PRO A 38 14.609 -1.058 -3.595 1.00 0.00 C ATOM 594 O PRO A 38 14.639 -0.707 -2.433 1.00 0.00 O ATOM 595 CB PRO A 38 15.667 -3.276 -4.162 1.00 0.00 C ATOM 596 CG PRO A 38 15.972 -3.257 -5.679 1.00 0.00 C ATOM 597 CD PRO A 38 14.634 -2.986 -6.392 1.00 0.00 C ATOM 0 HA PRO A 38 13.733 -2.934 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.471 -2.802 -3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.581 -4.299 -3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.702 -2.484 -5.918 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.397 -4.208 -6.001 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.731 -2.191 -7.132 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.278 -3.871 -6.920 1.00 0.00 H new ATOM 605 N TYR A 39 14.793 -0.203 -4.565 1.00 0.00 N ATOM 606 CA TYR A 39 15.048 1.230 -4.253 1.00 0.00 C ATOM 607 C TYR A 39 13.858 1.795 -3.473 1.00 0.00 C ATOM 608 O TYR A 39 13.978 2.771 -2.759 1.00 0.00 O ATOM 609 CB TYR A 39 15.224 2.015 -5.557 1.00 0.00 C ATOM 610 CG TYR A 39 15.134 3.497 -5.277 1.00 0.00 C ATOM 611 CD1 TYR A 39 16.271 4.204 -4.867 1.00 0.00 C ATOM 612 CD2 TYR A 39 13.911 4.164 -5.422 1.00 0.00 C ATOM 613 CE1 TYR A 39 16.185 5.576 -4.605 1.00 0.00 C ATOM 614 CE2 TYR A 39 13.825 5.536 -5.160 1.00 0.00 C ATOM 615 CZ TYR A 39 14.962 6.243 -4.751 1.00 0.00 C ATOM 616 OH TYR A 39 14.877 7.596 -4.492 1.00 0.00 O ATOM 0 H TYR A 39 14.778 -0.436 -5.558 1.00 0.00 H new ATOM 0 HA TYR A 39 15.954 1.318 -3.654 1.00 0.00 H new ATOM 0 HB2 TYR A 39 16.188 1.778 -6.008 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.457 1.724 -6.274 1.00 0.00 H new ATOM 0 HD1 TYR A 39 17.214 3.691 -4.753 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.033 3.619 -5.736 1.00 0.00 H new ATOM 0 HE1 TYR A 39 17.063 6.121 -4.290 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.882 6.049 -5.273 1.00 0.00 H new ATOM 0 HH TYR A 39 14.761 7.738 -3.529 1.00 0.00 H new ATOM 626 N TYR A 40 12.712 1.187 -3.603 1.00 0.00 N ATOM 627 CA TYR A 40 11.517 1.689 -2.869 1.00 0.00 C ATOM 628 C TYR A 40 11.439 1.009 -1.500 1.00 0.00 C ATOM 629 O TYR A 40 10.599 0.165 -1.262 1.00 0.00 O ATOM 630 CB TYR A 40 10.256 1.364 -3.672 1.00 0.00 C ATOM 631 CG TYR A 40 9.806 2.590 -4.429 1.00 0.00 C ATOM 632 CD1 TYR A 40 9.814 3.843 -3.802 1.00 0.00 C ATOM 633 CD2 TYR A 40 9.378 2.476 -5.757 1.00 0.00 C ATOM 634 CE1 TYR A 40 9.394 4.979 -4.503 1.00 0.00 C ATOM 635 CE2 TYR A 40 8.958 3.613 -6.458 1.00 0.00 C ATOM 636 CZ TYR A 40 8.966 4.864 -5.831 1.00 0.00 C ATOM 637 OH TYR A 40 8.551 5.985 -6.520 1.00 0.00 O ATOM 0 H TYR A 40 12.551 0.365 -4.185 1.00 0.00 H new ATOM 0 HA TYR A 40 11.596 2.768 -2.735 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.456 0.548 -4.367 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.464 1.026 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.144 3.932 -2.778 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.372 1.511 -6.241 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.400 5.945 -4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.628 3.524 -7.483 1.00 0.00 H new ATOM 0 HH TYR A 40 8.287 5.731 -7.429 1.00 0.00 H new ATOM 647 N ARG A 41 12.311 1.371 -0.598 1.00 0.00 N ATOM 648 CA ARG A 41 12.286 0.744 0.754 1.00 0.00 C ATOM 649 C ARG A 41 12.310 1.837 1.825 1.00 0.00 C ATOM 650 O ARG A 41 11.432 1.918 2.660 1.00 0.00 O ATOM 651 CB ARG A 41 13.510 -0.160 0.918 1.00 0.00 C ATOM 652 CG ARG A 41 13.347 -1.403 0.041 1.00 0.00 C ATOM 653 CD ARG A 41 14.622 -2.246 0.109 1.00 0.00 C ATOM 654 NE ARG A 41 15.784 -1.424 -0.333 1.00 0.00 N ATOM 655 CZ ARG A 41 16.982 -1.938 -0.342 1.00 0.00 C ATOM 656 NH1 ARG A 41 17.138 -3.229 -0.447 1.00 0.00 N ATOM 657 NH2 ARG A 41 18.026 -1.160 -0.247 1.00 0.00 N ATOM 0 H ARG A 41 13.038 2.072 -0.739 1.00 0.00 H new ATOM 0 HA ARG A 41 11.378 0.150 0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.414 0.380 0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.623 -0.451 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.492 -1.989 0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.146 -1.110 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.781 -2.603 1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.523 -3.127 -0.526 1.00 0.00 H new ATOM 0 HE ARG A 41 15.642 -0.458 -0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.322 -3.837 -0.522 1.00 0.00 H new ATOM 0 HH12 ARG A 41 18.076 -3.631 -0.454 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.904 -0.151 -0.166 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.964 -1.562 -0.254 1.00 0.00 H new ATOM 671 N THR A 42 13.309 2.677 1.809 1.00 0.00 N ATOM 672 CA THR A 42 13.384 3.763 2.827 1.00 0.00 C ATOM 673 C THR A 42 14.185 4.939 2.263 1.00 0.00 C ATOM 674 O THR A 42 14.746 5.729 2.996 1.00 0.00 O ATOM 675 CB THR A 42 14.072 3.235 4.090 1.00 0.00 C ATOM 676 OG1 THR A 42 14.259 1.831 3.974 1.00 0.00 O ATOM 677 CG2 THR A 42 13.202 3.536 5.311 1.00 0.00 C ATOM 0 H THR A 42 14.075 2.658 1.136 1.00 0.00 H new ATOM 0 HA THR A 42 12.376 4.096 3.075 1.00 0.00 H new ATOM 0 HB THR A 42 15.040 3.722 4.207 1.00 0.00 H new ATOM 0 HG1 THR A 42 14.700 1.492 4.781 1.00 0.00 H new ATOM 0 HG21 THR A 42 13.692 3.160 6.209 1.00 0.00 H new ATOM 0 HG22 THR A 42 13.059 4.613 5.400 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.233 3.050 5.196 1.00 0.00 H new ATOM 685 N ALA A 43 14.241 5.062 0.965 1.00 0.00 N ATOM 686 CA ALA A 43 15.004 6.188 0.355 1.00 0.00 C ATOM 687 C ALA A 43 14.212 7.484 0.521 1.00 0.00 C ATOM 688 O ALA A 43 14.647 8.411 1.176 1.00 0.00 O ATOM 689 CB ALA A 43 15.219 5.908 -1.134 1.00 0.00 C ATOM 0 H ALA A 43 13.792 4.432 0.301 1.00 0.00 H new ATOM 0 HA ALA A 43 15.970 6.286 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.777 6.730 -1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.781 4.981 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.253 5.813 -1.629 1.00 0.00 H new ATOM 695 N ASP A 44 13.050 7.556 -0.067 1.00 0.00 N ATOM 696 CA ASP A 44 12.225 8.790 0.055 1.00 0.00 C ATOM 697 C ASP A 44 10.764 8.401 0.289 1.00 0.00 C ATOM 698 O ASP A 44 10.277 7.432 -0.260 1.00 0.00 O ATOM 699 CB ASP A 44 12.335 9.608 -1.234 1.00 0.00 C ATOM 700 CG ASP A 44 13.809 9.871 -1.547 1.00 0.00 C ATOM 701 OD1 ASP A 44 14.548 8.910 -1.675 1.00 0.00 O ATOM 702 OD2 ASP A 44 14.173 11.031 -1.654 1.00 0.00 O ATOM 0 H ASP A 44 12.636 6.812 -0.628 1.00 0.00 H new ATOM 0 HA ASP A 44 12.583 9.387 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.867 9.071 -2.059 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.801 10.552 -1.125 1.00 0.00 H new ATOM 707 N LYS A 45 10.062 9.144 1.099 1.00 0.00 N ATOM 708 CA LYS A 45 8.634 8.811 1.364 1.00 0.00 C ATOM 709 C LYS A 45 7.754 9.476 0.305 1.00 0.00 C ATOM 710 O LYS A 45 6.964 10.350 0.601 1.00 0.00 O ATOM 711 CB LYS A 45 8.240 9.324 2.751 1.00 0.00 C ATOM 712 CG LYS A 45 8.663 8.306 3.812 1.00 0.00 C ATOM 713 CD LYS A 45 10.146 8.494 4.139 1.00 0.00 C ATOM 714 CE LYS A 45 10.512 7.647 5.359 1.00 0.00 C ATOM 715 NZ LYS A 45 11.994 7.589 5.498 1.00 0.00 N ATOM 0 H LYS A 45 10.415 9.966 1.588 1.00 0.00 H new ATOM 0 HA LYS A 45 8.498 7.730 1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.717 10.285 2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.163 9.487 2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.062 8.433 4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.485 7.293 3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.757 8.203 3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.355 9.545 4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.068 8.075 6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.107 6.641 5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.243 7.013 6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.406 7.162 4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.369 8.551 5.620 1.00 0.00 H new ATOM 729 N GLY A 46 7.888 9.077 -0.931 1.00 0.00 N ATOM 730 CA GLY A 46 7.062 9.698 -2.008 1.00 0.00 C ATOM 731 C GLY A 46 5.881 8.787 -2.375 1.00 0.00 C ATOM 732 O GLY A 46 4.957 9.206 -3.041 1.00 0.00 O ATOM 0 H GLY A 46 8.532 8.350 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.691 10.668 -1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.678 9.877 -2.889 1.00 0.00 H new ATOM 736 N TRP A 47 5.894 7.552 -1.952 1.00 0.00 N ATOM 737 CA TRP A 47 4.764 6.644 -2.292 1.00 0.00 C ATOM 738 C TRP A 47 4.253 5.919 -1.037 1.00 0.00 C ATOM 739 O TRP A 47 3.247 5.244 -1.086 1.00 0.00 O ATOM 740 CB TRP A 47 5.238 5.616 -3.319 1.00 0.00 C ATOM 741 CG TRP A 47 6.268 4.731 -2.700 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.456 5.147 -2.204 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.225 3.291 -2.505 1.00 0.00 C ATOM 744 NE1 TRP A 47 8.142 4.052 -1.712 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.426 2.885 -1.878 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.269 2.308 -2.812 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.669 1.549 -1.562 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.511 0.962 -2.498 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.710 0.583 -1.873 1.00 0.00 C ATOM 0 H TRP A 47 6.635 7.135 -1.388 1.00 0.00 H new ATOM 0 HA TRP A 47 3.948 7.236 -2.705 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.395 5.021 -3.669 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.654 6.122 -4.190 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.810 6.167 -2.194 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.064 4.101 -1.279 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.343 2.590 -3.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.592 1.263 -1.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.771 0.213 -2.738 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.890 -0.454 -1.633 1.00 0.00 H new ATOM 760 N GLN A 48 4.933 6.045 0.079 1.00 0.00 N ATOM 761 CA GLN A 48 4.465 5.352 1.326 1.00 0.00 C ATOM 762 C GLN A 48 2.939 5.496 1.464 1.00 0.00 C ATOM 763 O GLN A 48 2.181 4.765 0.857 1.00 0.00 O ATOM 764 CB GLN A 48 5.163 5.946 2.568 1.00 0.00 C ATOM 765 CG GLN A 48 5.695 7.363 2.286 1.00 0.00 C ATOM 766 CD GLN A 48 4.636 8.195 1.562 1.00 0.00 C ATOM 767 OE1 GLN A 48 4.874 8.601 0.352 1.00 0.00 O flip ATOM 768 NE2 GLN A 48 3.600 8.503 2.114 1.00 0.00 N flip ATOM 0 H GLN A 48 5.787 6.594 0.182 1.00 0.00 H new ATOM 0 HA GLN A 48 4.721 4.295 1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.462 5.978 3.402 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.987 5.299 2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.970 7.848 3.222 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.599 7.305 1.679 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.414 8.183 3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.915 9.081 1.627 1.00 0.00 H new ATOM 777 N ASN A 49 2.475 6.426 2.256 1.00 0.00 N ATOM 778 CA ASN A 49 1.005 6.608 2.411 1.00 0.00 C ATOM 779 C ASN A 49 0.423 7.112 1.091 1.00 0.00 C ATOM 780 O ASN A 49 -0.746 6.939 0.812 1.00 0.00 O ATOM 781 CB ASN A 49 0.730 7.630 3.518 1.00 0.00 C ATOM 782 CG ASN A 49 1.646 7.350 4.710 1.00 0.00 C ATOM 783 OD1 ASN A 49 2.776 7.796 4.741 1.00 0.00 O ATOM 784 ND2 ASN A 49 1.203 6.626 5.701 1.00 0.00 N ATOM 0 H ASN A 49 3.052 7.067 2.802 1.00 0.00 H new ATOM 0 HA ASN A 49 0.542 5.658 2.677 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.899 8.640 3.145 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.314 7.575 3.827 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.805 6.434 6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.255 6.252 5.675 1.00 0.00 H new ATOM 791 N SER A 50 1.232 7.728 0.269 1.00 0.00 N ATOM 792 CA SER A 50 0.718 8.229 -1.037 1.00 0.00 C ATOM 793 C SER A 50 0.023 7.077 -1.759 1.00 0.00 C ATOM 794 O SER A 50 -0.978 7.257 -2.417 1.00 0.00 O ATOM 795 CB SER A 50 1.883 8.736 -1.887 1.00 0.00 C ATOM 796 OG SER A 50 1.625 10.076 -2.290 1.00 0.00 O ATOM 0 H SER A 50 2.221 7.904 0.445 1.00 0.00 H new ATOM 0 HA SER A 50 0.016 9.046 -0.873 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.811 8.688 -1.317 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.013 8.100 -2.762 1.00 0.00 H new ATOM 0 HG SER A 50 2.372 10.404 -2.834 1.00 0.00 H new ATOM 802 N ILE A 51 0.545 5.891 -1.623 1.00 0.00 N ATOM 803 CA ILE A 51 -0.083 4.710 -2.278 1.00 0.00 C ATOM 804 C ILE A 51 -1.555 4.644 -1.849 1.00 0.00 C ATOM 805 O ILE A 51 -2.450 4.876 -2.636 1.00 0.00 O ATOM 806 CB ILE A 51 0.696 3.448 -1.836 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.626 2.954 -2.957 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.254 2.292 -1.471 1.00 0.00 C ATOM 809 CD1 ILE A 51 2.098 4.109 -3.846 1.00 0.00 C ATOM 0 H ILE A 51 1.386 5.687 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.046 4.781 -3.365 1.00 0.00 H new ATOM 0 HB ILE A 51 1.277 3.737 -0.960 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.490 2.454 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.104 2.215 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.330 1.424 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.903 2.599 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.862 2.034 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.753 3.723 -4.627 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.235 4.593 -4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.643 4.834 -3.241 1.00 0.00 H new ATOM 821 N ARG A 52 -1.809 4.334 -0.605 1.00 0.00 N ATOM 822 CA ARG A 52 -3.221 4.261 -0.135 1.00 0.00 C ATOM 823 C ARG A 52 -3.947 5.536 -0.560 1.00 0.00 C ATOM 824 O ARG A 52 -5.114 5.519 -0.896 1.00 0.00 O ATOM 825 CB ARG A 52 -3.246 4.141 1.390 1.00 0.00 C ATOM 826 CG ARG A 52 -4.695 4.137 1.881 1.00 0.00 C ATOM 827 CD ARG A 52 -5.143 5.571 2.159 1.00 0.00 C ATOM 828 NE ARG A 52 -5.390 5.740 3.619 1.00 0.00 N ATOM 829 CZ ARG A 52 -4.919 6.782 4.245 1.00 0.00 C ATOM 830 NH1 ARG A 52 -5.555 7.919 4.184 1.00 0.00 N ATOM 831 NH2 ARG A 52 -3.813 6.688 4.929 1.00 0.00 N ATOM 0 H ARG A 52 -1.103 4.129 0.102 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.713 3.391 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.744 3.225 1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.702 4.972 1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.343 3.681 1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.782 3.536 2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.379 6.273 1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.050 5.795 1.597 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.928 5.040 4.129 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.419 7.992 3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.188 8.735 4.673 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.316 5.799 4.975 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.445 7.504 5.418 1.00 0.00 H new ATOM 845 N HIS A 53 -3.254 6.641 -0.557 1.00 0.00 N ATOM 846 CA HIS A 53 -3.887 7.923 -0.970 1.00 0.00 C ATOM 847 C HIS A 53 -4.113 7.895 -2.484 1.00 0.00 C ATOM 848 O HIS A 53 -5.058 8.462 -2.996 1.00 0.00 O ATOM 849 CB HIS A 53 -2.954 9.082 -0.606 1.00 0.00 C ATOM 850 CG HIS A 53 -3.762 10.257 -0.123 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.134 10.339 -0.307 1.00 0.00 N ATOM 852 CD2 HIS A 53 -3.405 11.404 0.541 1.00 0.00 C ATOM 853 CE1 HIS A 53 -5.548 11.498 0.236 1.00 0.00 C ATOM 854 NE2 HIS A 53 -4.534 12.187 0.767 1.00 0.00 N ATOM 0 H HIS A 53 -2.273 6.711 -0.285 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.841 8.055 -0.460 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.254 8.768 0.168 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.361 9.369 -1.474 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.400 11.660 0.843 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.575 11.831 0.242 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.577 13.091 1.237 1.00 0.00 H new ATOM 862 N ASN A 54 -3.246 7.232 -3.200 1.00 0.00 N ATOM 863 CA ASN A 54 -3.389 7.147 -4.681 1.00 0.00 C ATOM 864 C ASN A 54 -4.585 6.261 -5.024 1.00 0.00 C ATOM 865 O ASN A 54 -5.264 6.469 -6.009 1.00 0.00 O ATOM 866 CB ASN A 54 -2.122 6.529 -5.274 1.00 0.00 C ATOM 867 CG ASN A 54 -1.065 7.617 -5.463 1.00 0.00 C ATOM 868 OD1 ASN A 54 0.021 7.585 -4.741 1.00 0.00 O flip ATOM 869 ND2 ASN A 54 -1.229 8.506 -6.276 1.00 0.00 N flip ATOM 0 H ASN A 54 -2.437 6.741 -2.818 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.541 8.145 -5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.742 5.749 -4.615 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.348 6.057 -6.230 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.078 8.531 -6.840 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.517 9.227 -6.394 1.00 0.00 H new ATOM 876 N LEU A 55 -4.843 5.270 -4.219 1.00 0.00 N ATOM 877 CA LEU A 55 -5.989 4.364 -4.499 1.00 0.00 C ATOM 878 C LEU A 55 -7.303 5.132 -4.331 1.00 0.00 C ATOM 879 O LEU A 55 -8.367 4.632 -4.640 1.00 0.00 O ATOM 880 CB LEU A 55 -5.959 3.180 -3.529 1.00 0.00 C ATOM 881 CG LEU A 55 -4.509 2.807 -3.202 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.478 1.427 -2.542 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.682 2.772 -4.489 1.00 0.00 C ATOM 0 H LEU A 55 -4.309 5.048 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.914 3.994 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.493 3.436 -2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.473 2.325 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.089 3.549 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.448 1.159 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.065 1.450 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.900 0.688 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.652 2.506 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.100 2.031 -5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.704 3.754 -4.962 1.00 0.00 H new ATOM 895 N SER A 56 -7.239 6.342 -3.846 1.00 0.00 N ATOM 896 CA SER A 56 -8.486 7.137 -3.661 1.00 0.00 C ATOM 897 C SER A 56 -8.790 7.917 -4.943 1.00 0.00 C ATOM 898 O SER A 56 -9.911 7.950 -5.411 1.00 0.00 O ATOM 899 CB SER A 56 -8.298 8.115 -2.502 1.00 0.00 C ATOM 900 OG SER A 56 -8.780 7.520 -1.303 1.00 0.00 O ATOM 0 H SER A 56 -6.378 6.814 -3.570 1.00 0.00 H new ATOM 0 HA SER A 56 -9.316 6.466 -3.440 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.244 8.373 -2.396 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.834 9.042 -2.703 1.00 0.00 H new ATOM 0 HG SER A 56 -8.659 8.144 -0.557 1.00 0.00 H new ATOM 906 N LEU A 57 -7.801 8.550 -5.515 1.00 0.00 N ATOM 907 CA LEU A 57 -8.036 9.326 -6.765 1.00 0.00 C ATOM 908 C LEU A 57 -8.094 8.369 -7.959 1.00 0.00 C ATOM 909 O LEU A 57 -8.754 8.630 -8.945 1.00 0.00 O ATOM 910 CB LEU A 57 -6.895 10.330 -6.967 1.00 0.00 C ATOM 911 CG LEU A 57 -6.405 10.829 -5.606 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.031 10.229 -5.306 1.00 0.00 C ATOM 913 CD2 LEU A 57 -6.297 12.356 -5.632 1.00 0.00 C ATOM 0 H LEU A 57 -6.841 8.563 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.981 9.863 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.075 9.860 -7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.238 11.169 -7.572 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.111 10.526 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.682 10.585 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.105 9.142 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.325 10.532 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.948 12.713 -4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.591 12.658 -6.405 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.275 12.786 -5.846 1.00 0.00 H new ATOM 925 N ASN A 58 -7.408 7.261 -7.879 1.00 0.00 N ATOM 926 CA ASN A 58 -7.426 6.289 -9.011 1.00 0.00 C ATOM 927 C ASN A 58 -8.814 5.658 -9.122 1.00 0.00 C ATOM 928 O ASN A 58 -9.472 5.402 -8.133 1.00 0.00 O ATOM 929 CB ASN A 58 -6.389 5.193 -8.768 1.00 0.00 C ATOM 930 CG ASN A 58 -5.010 5.695 -9.197 1.00 0.00 C ATOM 931 OD1 ASN A 58 -4.705 5.732 -10.372 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.161 6.084 -8.288 1.00 0.00 N ATOM 0 H ASN A 58 -6.836 6.987 -7.080 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.188 6.813 -9.937 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.376 4.917 -7.714 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.653 4.297 -9.329 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.238 6.420 -8.563 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.419 6.052 -7.302 1.00 0.00 H new ATOM 939 N ARG A 59 -9.270 5.415 -10.320 1.00 0.00 N ATOM 940 CA ARG A 59 -10.622 4.815 -10.498 1.00 0.00 C ATOM 941 C ARG A 59 -10.542 3.284 -10.544 1.00 0.00 C ATOM 942 O ARG A 59 -11.470 2.602 -10.160 1.00 0.00 O ATOM 943 CB ARG A 59 -11.228 5.321 -11.807 1.00 0.00 C ATOM 944 CG ARG A 59 -12.589 4.662 -12.025 1.00 0.00 C ATOM 945 CD ARG A 59 -13.681 5.527 -11.393 1.00 0.00 C ATOM 946 NE ARG A 59 -14.806 5.693 -12.355 1.00 0.00 N ATOM 947 CZ ARG A 59 -15.984 5.208 -12.072 1.00 0.00 C ATOM 948 NH1 ARG A 59 -16.398 5.179 -10.834 1.00 0.00 N ATOM 949 NH2 ARG A 59 -16.749 4.751 -13.026 1.00 0.00 N ATOM 0 H ARG A 59 -8.764 5.606 -11.185 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.244 5.107 -9.652 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.338 6.405 -11.775 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.564 5.093 -12.640 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.779 4.539 -13.091 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -12.598 3.666 -11.583 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.040 5.063 -10.474 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.275 6.501 -11.121 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.656 6.186 -13.235 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.801 5.535 -10.088 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.319 4.800 -10.613 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.426 4.773 -13.993 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.670 4.372 -12.804 1.00 0.00 H new ATOM 963 N TYR A 60 -9.462 2.731 -11.029 1.00 0.00 N ATOM 964 CA TYR A 60 -9.382 1.240 -11.111 1.00 0.00 C ATOM 965 C TYR A 60 -9.045 0.634 -9.746 1.00 0.00 C ATOM 966 O TYR A 60 -9.261 -0.540 -9.519 1.00 0.00 O ATOM 967 CB TYR A 60 -8.324 0.795 -12.135 1.00 0.00 C ATOM 968 CG TYR A 60 -7.201 1.802 -12.245 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.572 2.303 -11.099 1.00 0.00 C ATOM 970 CD2 TYR A 60 -6.785 2.230 -13.510 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.531 3.234 -11.222 1.00 0.00 C ATOM 972 CE2 TYR A 60 -5.747 3.157 -13.634 1.00 0.00 C ATOM 973 CZ TYR A 60 -5.120 3.660 -12.491 1.00 0.00 C ATOM 974 OH TYR A 60 -4.095 4.577 -12.614 1.00 0.00 O ATOM 0 H TYR A 60 -8.643 3.236 -11.367 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.360 0.883 -11.432 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.918 -0.174 -11.843 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.793 0.663 -13.110 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.889 1.972 -10.121 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.268 1.842 -14.395 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.046 3.622 -10.338 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.429 3.485 -14.613 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.295 5.366 -12.068 1.00 0.00 H new ATOM 984 N PHE A 61 -8.522 1.400 -8.834 1.00 0.00 N ATOM 985 CA PHE A 61 -8.184 0.813 -7.507 1.00 0.00 C ATOM 986 C PHE A 61 -9.375 0.939 -6.566 1.00 0.00 C ATOM 987 O PHE A 61 -9.781 2.020 -6.188 1.00 0.00 O ATOM 988 CB PHE A 61 -6.961 1.518 -6.929 1.00 0.00 C ATOM 989 CG PHE A 61 -5.764 1.105 -7.744 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.287 -0.209 -7.671 1.00 0.00 C ATOM 991 CD2 PHE A 61 -5.150 2.023 -8.598 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.198 -0.596 -8.448 1.00 0.00 C ATOM 993 CE2 PHE A 61 -4.064 1.636 -9.379 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.587 0.323 -9.305 1.00 0.00 C ATOM 0 H PHE A 61 -8.315 2.393 -8.944 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.951 -0.245 -7.627 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.092 2.600 -6.963 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.823 1.247 -5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.763 -0.921 -7.013 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.519 3.037 -8.653 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.825 -1.608 -8.388 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.591 2.347 -10.040 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.746 0.019 -9.911 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.939 -0.175 -6.193 1.00 0.00 N ATOM 1005 CA ILE A 62 -11.115 -0.150 -5.279 1.00 0.00 C ATOM 1006 C ILE A 62 -10.704 -0.673 -3.902 1.00 0.00 C ATOM 1007 O ILE A 62 -9.607 -1.161 -3.712 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.237 -1.029 -5.855 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -11.934 -2.510 -5.596 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.348 -0.800 -7.364 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -13.152 -3.352 -5.985 1.00 0.00 C ATOM 0 H ILE A 62 -9.636 -1.105 -6.482 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.476 0.874 -5.182 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.175 -0.761 -5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.063 -2.821 -6.173 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.691 -2.665 -4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.144 -1.425 -7.769 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.575 0.248 -7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.404 -1.061 -7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.940 -4.405 -5.802 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -14.011 -3.046 -5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.373 -3.205 -7.042 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.580 -0.583 -2.942 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.251 -1.080 -1.579 1.00 0.00 C ATOM 1025 C LYS A 63 -12.443 -1.871 -1.039 1.00 0.00 C ATOM 1026 O LYS A 63 -13.487 -1.319 -0.754 1.00 0.00 O ATOM 1027 CB LYS A 63 -10.963 0.108 -0.660 1.00 0.00 C ATOM 1028 CG LYS A 63 -12.071 1.151 -0.816 1.00 0.00 C ATOM 1029 CD LYS A 63 -11.647 2.455 -0.141 1.00 0.00 C ATOM 1030 CE LYS A 63 -11.381 2.200 1.344 1.00 0.00 C ATOM 1031 NZ LYS A 63 -10.928 3.464 1.992 1.00 0.00 N ATOM 0 H LYS A 63 -12.514 -0.185 -3.044 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.372 -1.723 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.905 -0.225 0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.997 0.548 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.273 1.326 -1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.996 0.783 -0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.750 2.849 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.427 3.207 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.286 1.834 1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.622 1.427 1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.747 3.291 3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.054 3.794 1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.666 4.189 1.892 1.00 0.00 H new ATOM 1045 N VAL A 64 -12.300 -3.161 -0.909 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.429 -3.991 -0.400 1.00 0.00 C ATOM 1047 C VAL A 64 -13.311 -4.147 1.123 1.00 0.00 C ATOM 1048 O VAL A 64 -12.412 -4.808 1.603 1.00 0.00 O ATOM 1049 CB VAL A 64 -13.373 -5.372 -1.055 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -13.469 -5.220 -2.575 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -12.050 -6.053 -0.698 1.00 0.00 C ATOM 0 H VAL A 64 -11.449 -3.677 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.374 -3.505 -0.641 1.00 0.00 H new ATOM 0 HB VAL A 64 -14.205 -5.978 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.429 -6.204 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.410 -4.733 -2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.637 -4.614 -2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.010 -7.037 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.219 -5.446 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.977 -6.161 0.384 1.00 0.00 H new ATOM 1218 N PHE A 76 -8.776 -4.304 2.611 1.00 0.00 N ATOM 1219 CA PHE A 76 -8.243 -5.071 1.451 1.00 0.00 C ATOM 1220 C PHE A 76 -8.240 -4.179 0.209 1.00 0.00 C ATOM 1221 O PHE A 76 -9.264 -3.943 -0.399 1.00 0.00 O ATOM 1222 CB PHE A 76 -9.124 -6.295 1.197 1.00 0.00 C ATOM 1223 CG PHE A 76 -8.254 -7.478 0.843 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -7.005 -7.275 0.244 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -8.696 -8.778 1.114 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -6.198 -8.370 -0.084 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -7.889 -9.874 0.786 1.00 0.00 C ATOM 1228 CZ PHE A 76 -6.641 -9.670 0.187 1.00 0.00 C ATOM 0 HA PHE A 76 -7.226 -5.396 1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.718 -6.519 2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.825 -6.090 0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.664 -6.272 0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.659 -8.936 1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.234 -8.212 -0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.230 -10.877 0.995 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.019 -10.516 -0.066 1.00 0.00 H new ATOM 1238 N TRP A 77 -7.096 -3.680 -0.169 1.00 0.00 N ATOM 1239 CA TRP A 77 -7.027 -2.802 -1.370 1.00 0.00 C ATOM 1240 C TRP A 77 -6.853 -3.662 -2.624 1.00 0.00 C ATOM 1241 O TRP A 77 -6.192 -4.682 -2.600 1.00 0.00 O ATOM 1242 CB TRP A 77 -5.835 -1.855 -1.233 1.00 0.00 C ATOM 1243 CG TRP A 77 -6.314 -0.511 -0.788 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -6.044 0.055 0.410 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -7.141 0.441 -1.514 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.652 1.297 0.464 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -7.339 1.579 -0.699 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -7.731 0.427 -2.790 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -8.096 2.667 -1.134 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.494 1.520 -3.231 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -8.675 2.637 -2.405 1.00 0.00 C ATOM 0 H TRP A 77 -6.206 -3.842 0.302 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.947 -2.224 -1.453 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.120 -2.255 -0.513 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -5.313 -1.770 -2.186 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -5.451 -0.389 1.196 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -6.599 1.926 1.265 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.597 -0.429 -3.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -8.233 3.526 -0.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.944 1.500 -4.213 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.262 3.475 -2.751 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.436 -3.259 -3.720 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.298 -4.055 -4.972 1.00 0.00 C ATOM 1264 C ARG A 78 -7.619 -3.180 -6.181 1.00 0.00 C ATOM 1265 O ARG A 78 -7.978 -2.027 -6.052 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.264 -5.238 -4.942 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.706 -4.728 -4.985 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.418 -5.310 -6.208 1.00 0.00 C ATOM 1269 NE ARG A 78 -10.570 -6.784 -6.044 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.740 -7.340 -6.206 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -12.201 -7.553 -7.410 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -12.450 -7.683 -5.167 1.00 0.00 N ATOM 0 H ARG A 78 -8.001 -2.414 -3.802 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.274 -4.420 -5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.075 -5.896 -5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.104 -5.828 -4.040 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.232 -5.015 -4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.716 -3.639 -5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.396 -4.844 -6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.848 -5.091 -7.111 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.761 -7.357 -5.806 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.647 -7.285 -8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.115 -7.987 -7.537 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.091 -7.517 -4.227 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.364 -8.117 -5.295 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.490 -3.727 -7.355 1.00 0.00 N ATOM 1287 CA ILE A 79 -7.786 -2.938 -8.584 1.00 0.00 C ATOM 1288 C ILE A 79 -8.921 -3.610 -9.363 1.00 0.00 C ATOM 1289 O ILE A 79 -9.138 -4.800 -9.255 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.528 -2.871 -9.455 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.782 -1.971 -10.666 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -6.171 -4.275 -9.938 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.651 -0.949 -10.792 1.00 0.00 C ATOM 0 H ILE A 79 -7.192 -4.689 -7.519 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.091 -1.928 -8.308 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.706 -2.462 -8.867 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.844 -2.573 -11.573 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.738 -1.459 -10.557 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.276 -4.230 -10.558 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.985 -4.919 -9.079 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.997 -4.680 -10.522 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.834 -0.309 -11.655 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.610 -0.339 -9.890 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.702 -1.470 -10.921 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.647 -2.857 -10.148 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.763 -3.461 -10.928 1.00 0.00 C ATOM 1307 C ASP A 80 -10.202 -4.558 -11.836 1.00 0.00 C ATOM 1308 O ASP A 80 -9.077 -4.473 -12.280 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.436 -2.382 -11.779 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.922 -2.308 -11.427 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -13.240 -1.720 -10.406 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -13.717 -2.842 -12.182 1.00 0.00 O ATOM 0 H ASP A 80 -9.515 -1.854 -10.281 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.498 -3.890 -10.247 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.961 -1.417 -11.603 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.313 -2.610 -12.838 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.003 -5.566 -12.066 1.00 0.00 N ATOM 1318 CA PRO A 81 -10.615 -6.721 -12.899 1.00 0.00 C ATOM 1319 C PRO A 81 -10.695 -6.394 -14.397 1.00 0.00 C ATOM 1320 O PRO A 81 -9.729 -6.535 -15.120 1.00 0.00 O ATOM 1321 CB PRO A 81 -11.644 -7.792 -12.520 1.00 0.00 C ATOM 1322 CG PRO A 81 -12.870 -7.041 -11.945 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.373 -5.647 -11.516 1.00 0.00 C ATOM 0 HA PRO A 81 -9.584 -7.031 -12.728 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.925 -8.385 -13.390 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.232 -8.482 -11.784 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.659 -6.958 -12.693 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.291 -7.580 -11.096 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.010 -4.857 -11.915 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.374 -5.540 -10.431 1.00 0.00 H new ATOM 1331 N ALA A 82 -11.837 -5.981 -14.870 1.00 0.00 N ATOM 1332 CA ALA A 82 -11.975 -5.671 -16.325 1.00 0.00 C ATOM 1333 C ALA A 82 -11.093 -4.481 -16.708 1.00 0.00 C ATOM 1334 O ALA A 82 -10.855 -4.229 -17.872 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.435 -5.343 -16.638 1.00 0.00 C ATOM 0 H ALA A 82 -12.682 -5.844 -14.315 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.658 -6.541 -16.900 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.538 -5.117 -17.699 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.062 -6.199 -16.387 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.748 -4.480 -16.051 1.00 0.00 H new ATOM 1341 N SER A 83 -10.604 -3.747 -15.751 1.00 0.00 N ATOM 1342 CA SER A 83 -9.738 -2.583 -16.085 1.00 0.00 C ATOM 1343 C SER A 83 -8.270 -2.988 -15.952 1.00 0.00 C ATOM 1344 O SER A 83 -7.379 -2.256 -16.332 1.00 0.00 O ATOM 1345 CB SER A 83 -10.035 -1.432 -15.121 1.00 0.00 C ATOM 1346 OG SER A 83 -11.392 -1.033 -15.270 1.00 0.00 O ATOM 0 H SER A 83 -10.765 -3.901 -14.756 1.00 0.00 H new ATOM 0 HA SER A 83 -9.939 -2.263 -17.107 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.846 -1.745 -14.094 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.372 -0.591 -15.325 1.00 0.00 H new ATOM 0 HG SER A 83 -11.586 -0.297 -14.653 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.011 -4.149 -15.416 1.00 0.00 N ATOM 1353 CA GLU A 84 -6.595 -4.587 -15.247 1.00 0.00 C ATOM 1354 C GLU A 84 -5.882 -4.577 -16.593 1.00 0.00 C ATOM 1355 O GLU A 84 -4.889 -3.903 -16.765 1.00 0.00 O ATOM 1356 CB GLU A 84 -6.551 -6.009 -14.675 1.00 0.00 C ATOM 1357 CG GLU A 84 -6.475 -5.954 -13.149 1.00 0.00 C ATOM 1358 CD GLU A 84 -6.160 -7.349 -12.603 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -7.058 -8.174 -12.591 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -5.026 -7.567 -12.209 1.00 0.00 O ATOM 0 H GLU A 84 -8.714 -4.811 -15.089 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.099 -3.899 -14.563 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.438 -6.562 -14.984 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.688 -6.543 -15.072 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.705 -5.248 -12.838 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.420 -5.596 -12.740 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.371 -5.311 -17.551 1.00 0.00 N ATOM 1368 CA ALA A 85 -5.696 -5.328 -18.879 1.00 0.00 C ATOM 1369 C ALA A 85 -5.393 -3.894 -19.326 1.00 0.00 C ATOM 1370 O ALA A 85 -4.522 -3.663 -20.142 1.00 0.00 O ATOM 1371 CB ALA A 85 -6.606 -6.003 -19.907 1.00 0.00 C ATOM 0 H ALA A 85 -7.203 -5.896 -17.475 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.762 -5.884 -18.800 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.112 -6.015 -20.878 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.814 -7.026 -19.593 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.542 -5.450 -19.983 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.102 -2.929 -18.805 1.00 0.00 N ATOM 1378 CA LYS A 86 -5.846 -1.517 -19.212 1.00 0.00 C ATOM 1379 C LYS A 86 -4.794 -0.890 -18.295 1.00 0.00 C ATOM 1380 O LYS A 86 -3.752 -0.456 -18.745 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.147 -0.717 -19.121 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.049 0.519 -20.016 1.00 0.00 C ATOM 1383 CD LYS A 86 -8.187 1.482 -19.681 1.00 0.00 C ATOM 1384 CE LYS A 86 -8.003 2.015 -18.259 1.00 0.00 C ATOM 1385 NZ LYS A 86 -9.173 1.618 -17.428 1.00 0.00 N ATOM 0 H LYS A 86 -6.845 -3.056 -18.118 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.478 -1.502 -20.238 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.990 -1.336 -19.429 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.331 -0.418 -18.089 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.087 1.011 -19.871 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.102 0.227 -21.065 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.199 2.308 -20.392 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.146 0.972 -19.768 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.084 1.619 -17.826 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.906 3.101 -18.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.050 1.979 -16.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.042 2.016 -17.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.246 0.581 -17.404 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.051 -0.823 -17.016 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.046 -0.205 -16.101 1.00 0.00 C ATOM 1401 C LEU A 87 -2.684 -0.834 -16.335 1.00 0.00 C ATOM 1402 O LEU A 87 -1.709 -0.160 -16.599 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.428 -0.413 -14.632 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.315 -1.647 -14.456 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.783 -2.490 -13.296 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.742 -1.194 -14.134 1.00 0.00 C ATOM 0 H LEU A 87 -5.902 -1.164 -16.569 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.018 0.864 -16.314 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.525 -0.523 -14.032 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.951 0.469 -14.262 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.310 -2.238 -15.372 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.413 -3.370 -13.167 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.761 -2.803 -13.512 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.795 -1.898 -12.381 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.381 -2.068 -14.007 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.739 -0.609 -13.214 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.123 -0.582 -14.952 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.616 -2.121 -16.228 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.327 -2.821 -16.429 1.00 0.00 C ATOM 1420 C VAL A 88 -0.575 -2.213 -17.612 1.00 0.00 C ATOM 1421 O VAL A 88 0.639 -2.218 -17.656 1.00 0.00 O ATOM 1422 CB VAL A 88 -1.616 -4.269 -16.739 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.155 -4.976 -15.493 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -2.649 -4.338 -17.864 1.00 0.00 C ATOM 0 H VAL A 88 -3.406 -2.727 -16.007 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.719 -2.726 -15.529 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.697 -4.766 -17.051 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.360 -6.020 -15.728 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.414 -4.922 -14.695 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.075 -4.490 -15.168 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.865 -5.381 -18.096 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.565 -3.839 -17.548 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.254 -3.843 -18.751 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.283 -1.694 -18.573 1.00 0.00 N ATOM 1435 CA GLU A 89 -0.597 -1.093 -19.751 1.00 0.00 C ATOM 1436 C GLU A 89 0.403 -0.056 -19.250 1.00 0.00 C ATOM 1437 O GLU A 89 1.548 -0.031 -19.658 1.00 0.00 O ATOM 1438 CB GLU A 89 -1.626 -0.418 -20.659 1.00 0.00 C ATOM 1439 CG GLU A 89 -0.988 -0.119 -22.017 1.00 0.00 C ATOM 1440 CD GLU A 89 -2.072 0.309 -23.009 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -2.652 -0.562 -23.635 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -2.302 1.502 -23.125 1.00 0.00 O ATOM 0 H GLU A 89 -2.302 -1.659 -18.596 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.081 -1.868 -20.318 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.494 -1.065 -20.787 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.981 0.505 -20.201 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.243 0.670 -21.914 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.469 -1.002 -22.389 1.00 0.00 H new ATOM 1449 N GLN A 90 -0.010 0.786 -18.347 1.00 0.00 N ATOM 1450 CA GLN A 90 0.928 1.802 -17.797 1.00 0.00 C ATOM 1451 C GLN A 90 1.772 1.143 -16.704 1.00 0.00 C ATOM 1452 O GLN A 90 2.770 1.679 -16.266 1.00 0.00 O ATOM 1453 CB GLN A 90 0.135 2.967 -17.203 1.00 0.00 C ATOM 1454 CG GLN A 90 0.194 4.162 -18.155 1.00 0.00 C ATOM 1455 CD GLN A 90 -1.195 4.412 -18.744 1.00 0.00 C ATOM 1456 OE1 GLN A 90 -2.087 3.601 -18.592 1.00 0.00 O ATOM 1457 NE2 GLN A 90 -1.418 5.508 -19.415 1.00 0.00 N ATOM 0 H GLN A 90 -0.956 0.815 -17.966 1.00 0.00 H new ATOM 0 HA GLN A 90 1.573 2.182 -18.589 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.901 2.670 -17.039 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.545 3.242 -16.231 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.540 5.048 -17.623 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.910 3.970 -18.954 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.669 6.189 -19.543 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.341 5.684 -19.812 1.00 0.00 H new ATOM 1466 N ALA A 91 1.374 -0.023 -16.265 1.00 0.00 N ATOM 1467 CA ALA A 91 2.143 -0.730 -15.203 1.00 0.00 C ATOM 1468 C ALA A 91 3.529 -1.095 -15.734 1.00 0.00 C ATOM 1469 O ALA A 91 4.539 -0.731 -15.165 1.00 0.00 O ATOM 1470 CB ALA A 91 1.397 -2.001 -14.797 1.00 0.00 C ATOM 0 H ALA A 91 0.546 -0.516 -16.599 1.00 0.00 H new ATOM 0 HA ALA A 91 2.249 -0.079 -14.335 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.958 -2.520 -14.020 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.410 -1.738 -14.417 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.290 -2.653 -15.664 1.00 0.00 H new ATOM 1476 N PHE A 92 3.588 -1.810 -16.824 1.00 0.00 N ATOM 1477 CA PHE A 92 4.912 -2.192 -17.391 1.00 0.00 C ATOM 1478 C PHE A 92 5.461 -1.025 -18.215 1.00 0.00 C ATOM 1479 O PHE A 92 6.649 -0.767 -18.230 1.00 0.00 O ATOM 1480 CB PHE A 92 4.761 -3.421 -18.296 1.00 0.00 C ATOM 1481 CG PHE A 92 3.580 -4.251 -17.847 1.00 0.00 C ATOM 1482 CD1 PHE A 92 3.657 -4.999 -16.667 1.00 0.00 C ATOM 1483 CD2 PHE A 92 2.411 -4.272 -18.616 1.00 0.00 C ATOM 1484 CE1 PHE A 92 2.562 -5.767 -16.254 1.00 0.00 C ATOM 1485 CE2 PHE A 92 1.316 -5.041 -18.203 1.00 0.00 C ATOM 1486 CZ PHE A 92 1.390 -5.788 -17.022 1.00 0.00 C ATOM 0 H PHE A 92 2.778 -2.146 -17.346 1.00 0.00 H new ATOM 0 HA PHE A 92 5.596 -2.429 -16.576 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.623 -3.106 -19.330 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.671 -4.021 -18.264 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.560 -4.984 -16.075 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.353 -3.695 -19.527 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.620 -6.344 -15.343 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.414 -5.058 -18.796 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.545 -6.380 -16.703 1.00 0.00 H new ATOM 1496 N ARG A 93 4.603 -0.317 -18.899 1.00 0.00 N ATOM 1497 CA ARG A 93 5.070 0.834 -19.721 1.00 0.00 C ATOM 1498 C ARG A 93 5.671 1.903 -18.808 1.00 0.00 C ATOM 1499 O ARG A 93 5.076 2.297 -17.824 1.00 0.00 O ATOM 1500 CB ARG A 93 3.885 1.427 -20.486 1.00 0.00 C ATOM 1501 CG ARG A 93 4.397 2.411 -21.539 1.00 0.00 C ATOM 1502 CD ARG A 93 3.272 3.368 -21.937 1.00 0.00 C ATOM 1503 NE ARG A 93 2.020 2.593 -22.170 1.00 0.00 N ATOM 1504 CZ ARG A 93 1.723 2.181 -23.372 1.00 0.00 C ATOM 1505 NH1 ARG A 93 2.332 1.145 -23.880 1.00 0.00 N ATOM 1506 NH2 ARG A 93 0.814 2.807 -24.069 1.00 0.00 N ATOM 0 H ARG A 93 3.598 -0.487 -18.923 1.00 0.00 H new ATOM 0 HA ARG A 93 5.826 0.492 -20.427 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.313 0.632 -20.964 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.211 1.935 -19.796 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.244 2.973 -21.145 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.754 1.869 -22.415 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.114 4.107 -21.152 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.547 3.915 -22.839 1.00 0.00 H new ATOM 0 HE ARG A 93 1.396 2.385 -21.390 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.043 0.654 -23.337 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.097 0.826 -24.820 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.337 3.617 -23.674 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.581 2.486 -25.009 1.00 0.00 H new