USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 295 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 Single : A 1 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.096) USER MOD Single : A 1 ASN N :NH3+ -168:sc= -0.0657 (180deg=-0.294) USER MOD Single : A 2 SER OG : rot -106:sc= 1.07 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.299! C(o=-0.3!,f=-15!) USER MOD Single : A 32 LYS NZ :NH3+ 146:sc= -0.185 (180deg=-1.54!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 48.427 9.722 14.738 1.00 0.00 N ATOM 2 CA ASN A 1 48.458 8.670 15.794 1.00 0.00 C ATOM 3 C ASN A 1 47.443 7.572 15.473 1.00 0.00 C ATOM 4 O ASN A 1 46.640 7.191 16.302 1.00 0.00 O ATOM 5 CB ASN A 1 48.077 9.394 17.085 1.00 0.00 C ATOM 6 CG ASN A 1 49.162 10.413 17.438 1.00 0.00 C ATOM 7 OD1 ASN A 1 48.869 11.561 17.709 1.00 0.00 O ATOM 8 ND2 ASN A 1 50.413 10.041 17.448 1.00 0.00 N ATOM 0 H1 ASN A 1 49.248 10.351 14.850 1.00 0.00 H new ATOM 0 H2 ASN A 1 48.460 9.274 13.800 1.00 0.00 H new ATOM 0 H3 ASN A 1 47.551 10.276 14.826 1.00 0.00 H new ATOM 0 HA ASN A 1 49.433 8.188 15.871 1.00 0.00 H new ATOM 0 HB2 ASN A 1 47.117 9.896 16.963 1.00 0.00 H new ATOM 0 HB3 ASN A 1 47.960 8.676 17.896 1.00 0.00 H new ATOM 0 HD21 ASN A 1 51.143 10.713 17.683 1.00 0.00 H new ATOM 0 HD22 ASN A 1 50.661 9.078 17.221 1.00 0.00 H new ATOM 17 N SER A 2 47.472 7.060 14.274 1.00 0.00 N ATOM 18 CA SER A 2 46.510 5.987 13.897 1.00 0.00 C ATOM 19 C SER A 2 47.242 4.853 13.178 1.00 0.00 C ATOM 20 O SER A 2 48.031 5.079 12.282 1.00 0.00 O ATOM 21 CB SER A 2 45.513 6.666 12.959 1.00 0.00 C ATOM 22 OG SER A 2 44.521 5.730 12.566 1.00 0.00 O ATOM 0 H SER A 2 48.121 7.339 13.538 1.00 0.00 H new ATOM 0 HA SER A 2 46.018 5.546 14.764 1.00 0.00 H new ATOM 0 HB2 SER A 2 45.049 7.516 13.458 1.00 0.00 H new ATOM 0 HB3 SER A 2 46.030 7.055 12.081 1.00 0.00 H new ATOM 0 HG SER A 2 44.675 5.461 11.636 1.00 0.00 H new ATOM 28 N LYS A 3 46.988 3.632 13.562 1.00 0.00 N ATOM 29 CA LYS A 3 47.670 2.485 12.899 1.00 0.00 C ATOM 30 C LYS A 3 47.381 2.501 11.397 1.00 0.00 C ATOM 31 O LYS A 3 48.204 2.114 10.591 1.00 0.00 O ATOM 32 CB LYS A 3 47.073 1.234 13.547 1.00 0.00 C ATOM 33 CG LYS A 3 47.599 1.096 14.978 1.00 0.00 C ATOM 34 CD LYS A 3 46.852 -0.034 15.689 1.00 0.00 C ATOM 35 CE LYS A 3 47.431 -1.381 15.251 1.00 0.00 C ATOM 36 NZ LYS A 3 46.739 -2.391 16.099 1.00 0.00 N ATOM 0 H LYS A 3 46.338 3.379 14.306 1.00 0.00 H new ATOM 0 HA LYS A 3 48.753 2.524 13.018 1.00 0.00 H new ATOM 0 HB2 LYS A 3 45.985 1.300 13.553 1.00 0.00 H new ATOM 0 HB3 LYS A 3 47.336 0.350 12.965 1.00 0.00 H new ATOM 0 HG2 LYS A 3 48.669 0.887 14.965 1.00 0.00 H new ATOM 0 HG3 LYS A 3 47.463 2.033 15.519 1.00 0.00 H new ATOM 0 HD2 LYS A 3 46.942 0.079 16.769 1.00 0.00 H new ATOM 0 HD3 LYS A 3 45.789 0.012 15.451 1.00 0.00 H new ATOM 0 HE2 LYS A 3 47.249 -1.563 14.192 1.00 0.00 H new ATOM 0 HE3 LYS A 3 48.510 -1.414 15.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 47.083 -3.342 15.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 46.936 -2.196 17.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 45.714 -2.341 15.932 1.00 0.00 H new ATOM 50 N ARG A 4 46.217 2.950 11.016 1.00 0.00 N ATOM 51 CA ARG A 4 45.871 2.994 9.566 1.00 0.00 C ATOM 52 C ARG A 4 45.624 4.440 9.128 1.00 0.00 C ATOM 53 O ARG A 4 45.304 5.295 9.929 1.00 0.00 O ATOM 54 CB ARG A 4 44.592 2.167 9.437 1.00 0.00 C ATOM 55 CG ARG A 4 44.283 1.935 7.956 1.00 0.00 C ATOM 56 CD ARG A 4 43.113 0.957 7.822 1.00 0.00 C ATOM 57 NE ARG A 4 41.973 1.619 8.517 1.00 0.00 N ATOM 58 CZ ARG A 4 40.870 0.957 8.737 1.00 0.00 C ATOM 59 NH1 ARG A 4 40.582 -0.089 8.011 1.00 0.00 N ATOM 60 NH2 ARG A 4 40.056 1.339 9.683 1.00 0.00 N ATOM 0 H ARG A 4 45.490 3.289 11.646 1.00 0.00 H new ATOM 0 HA ARG A 4 46.671 2.603 8.937 1.00 0.00 H new ATOM 0 HB2 ARG A 4 44.710 1.212 9.949 1.00 0.00 H new ATOM 0 HB3 ARG A 4 43.761 2.685 9.916 1.00 0.00 H new ATOM 0 HG2 ARG A 4 44.037 2.881 7.473 1.00 0.00 H new ATOM 0 HG3 ARG A 4 45.162 1.538 7.449 1.00 0.00 H new ATOM 0 HD2 ARG A 4 42.878 0.764 6.775 1.00 0.00 H new ATOM 0 HD3 ARG A 4 43.348 -0.004 8.278 1.00 0.00 H new ATOM 0 HE ARG A 4 42.055 2.589 8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 4 41.219 -0.388 7.273 1.00 0.00 H new ATOM 0 HH12 ARG A 4 39.720 -0.607 8.182 1.00 0.00 H new ATOM 0 HH21 ARG A 4 40.282 2.156 10.251 1.00 0.00 H new ATOM 0 HH22 ARG A 4 39.194 0.821 9.854 1.00 0.00 H new ATOM 74 N ALA A 5 45.770 4.720 7.862 1.00 0.00 N ATOM 75 CA ALA A 5 45.544 6.112 7.376 1.00 0.00 C ATOM 76 C ALA A 5 44.207 6.205 6.636 1.00 0.00 C ATOM 77 O ALA A 5 44.023 5.609 5.593 1.00 0.00 O ATOM 78 CB ALA A 5 46.706 6.393 6.422 1.00 0.00 C ATOM 0 H ALA A 5 46.036 4.047 7.143 1.00 0.00 H new ATOM 0 HA ALA A 5 45.504 6.832 8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 5 46.611 7.402 6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 5 47.649 6.304 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 5 46.687 5.674 5.603 1.00 0.00 H new ATOM 84 N CYS A 6 43.275 6.950 7.164 1.00 0.00 N ATOM 85 CA CYS A 6 41.955 7.080 6.485 1.00 0.00 C ATOM 86 C CYS A 6 42.140 7.693 5.096 1.00 0.00 C ATOM 87 O CYS A 6 41.271 7.614 4.249 1.00 0.00 O ATOM 88 CB CYS A 6 41.136 8.014 7.378 1.00 0.00 C ATOM 89 SG CYS A 6 39.470 8.194 6.696 1.00 0.00 S ATOM 0 H CYS A 6 43.370 7.473 8.034 1.00 0.00 H new ATOM 0 HA CYS A 6 41.464 6.117 6.348 1.00 0.00 H new ATOM 0 HB2 CYS A 6 41.085 7.614 8.391 1.00 0.00 H new ATOM 0 HB3 CYS A 6 41.620 8.988 7.445 1.00 0.00 H new ATOM 94 N TYR A 7 43.271 8.298 4.851 1.00 0.00 N ATOM 95 CA TYR A 7 43.513 8.907 3.514 1.00 0.00 C ATOM 96 C TYR A 7 43.851 7.811 2.501 1.00 0.00 C ATOM 97 O TYR A 7 43.412 7.840 1.367 1.00 0.00 O ATOM 98 CB TYR A 7 44.707 9.842 3.713 1.00 0.00 C ATOM 99 CG TYR A 7 45.155 10.376 2.374 1.00 0.00 C ATOM 100 CD1 TYR A 7 44.379 11.331 1.707 1.00 0.00 C ATOM 101 CD2 TYR A 7 46.347 9.918 1.800 1.00 0.00 C ATOM 102 CE1 TYR A 7 44.792 11.826 0.465 1.00 0.00 C ATOM 103 CE2 TYR A 7 46.760 10.412 0.557 1.00 0.00 C ATOM 104 CZ TYR A 7 45.984 11.367 -0.110 1.00 0.00 C ATOM 105 OH TYR A 7 46.390 11.853 -1.334 1.00 0.00 O ATOM 0 H TYR A 7 44.036 8.396 5.519 1.00 0.00 H new ATOM 0 HA TYR A 7 42.642 9.441 3.134 1.00 0.00 H new ATOM 0 HB2 TYR A 7 44.432 10.666 4.372 1.00 0.00 H new ATOM 0 HB3 TYR A 7 45.525 9.307 4.196 1.00 0.00 H new ATOM 0 HD1 TYR A 7 43.461 11.686 2.151 1.00 0.00 H new ATOM 0 HD2 TYR A 7 46.948 9.184 2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 7 44.192 12.562 -0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 7 47.678 10.056 0.113 1.00 0.00 H new ATOM 0 HH TYR A 7 47.237 11.432 -1.588 1.00 0.00 H new ATOM 115 N ARG A 8 44.625 6.842 2.906 1.00 0.00 N ATOM 116 CA ARG A 8 44.991 5.739 1.974 1.00 0.00 C ATOM 117 C ARG A 8 43.730 5.012 1.502 1.00 0.00 C ATOM 118 O ARG A 8 43.615 4.625 0.355 1.00 0.00 O ATOM 119 CB ARG A 8 45.872 4.804 2.804 1.00 0.00 C ATOM 120 CG ARG A 8 46.421 3.693 1.910 1.00 0.00 C ATOM 121 CD ARG A 8 47.041 2.598 2.783 1.00 0.00 C ATOM 122 NE ARG A 8 48.318 3.185 3.279 1.00 0.00 N ATOM 123 CZ ARG A 8 49.121 2.474 4.025 1.00 0.00 C ATOM 124 NH1 ARG A 8 48.763 1.284 4.426 1.00 0.00 N ATOM 125 NH2 ARG A 8 50.283 2.955 4.370 1.00 0.00 N ATOM 0 H ARG A 8 45.020 6.767 3.843 1.00 0.00 H new ATOM 0 HA ARG A 8 45.503 6.098 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 8 46.693 5.364 3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 8 45.295 4.375 3.623 1.00 0.00 H new ATOM 0 HG2 ARG A 8 45.622 3.276 1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.169 4.096 1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 8 46.382 2.330 3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 8 47.220 1.689 2.209 1.00 0.00 H new ATOM 0 HE ARG A 8 48.566 4.144 3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 8 47.854 0.907 4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 8 49.392 0.731 5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 8 50.563 3.885 4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 8 50.911 2.402 4.952 1.00 0.00 H new ATOM 139 N GLU A 9 42.781 4.826 2.378 1.00 0.00 N ATOM 140 CA GLU A 9 41.527 4.127 1.980 1.00 0.00 C ATOM 141 C GLU A 9 40.754 4.972 0.964 1.00 0.00 C ATOM 142 O GLU A 9 40.154 4.456 0.042 1.00 0.00 O ATOM 143 CB GLU A 9 40.728 3.982 3.275 1.00 0.00 C ATOM 144 CG GLU A 9 41.362 2.895 4.145 1.00 0.00 C ATOM 145 CD GLU A 9 40.635 2.832 5.491 1.00 0.00 C ATOM 146 OE1 GLU A 9 39.937 3.780 5.809 1.00 0.00 O ATOM 147 OE2 GLU A 9 40.792 1.837 6.178 1.00 0.00 O ATOM 0 H GLU A 9 42.820 5.128 3.352 1.00 0.00 H new ATOM 0 HA GLU A 9 41.721 3.162 1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 9 40.711 4.930 3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 9 39.693 3.725 3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 9 41.302 1.930 3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 9 42.420 3.109 4.300 1.00 0.00 H new ATOM 154 N GLY A 10 40.765 6.268 1.124 1.00 0.00 N ATOM 155 CA GLY A 10 40.034 7.145 0.167 1.00 0.00 C ATOM 156 C GLY A 10 38.786 7.715 0.846 1.00 0.00 C ATOM 157 O GLY A 10 37.912 8.262 0.202 1.00 0.00 O ATOM 0 H GLY A 10 41.249 6.757 1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 10 40.682 7.956 -0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 10 39.751 6.577 -0.720 1.00 0.00 H new ATOM 161 N GLY A 11 38.693 7.591 2.142 1.00 0.00 N ATOM 162 CA GLY A 11 37.500 8.125 2.858 1.00 0.00 C ATOM 163 C GLY A 11 37.720 9.603 3.189 1.00 0.00 C ATOM 164 O GLY A 11 38.653 10.221 2.718 1.00 0.00 O ATOM 0 H GLY A 11 39.391 7.143 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 11 36.610 8.009 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 11 37.329 7.558 3.773 1.00 0.00 H new ATOM 168 N GLU A 12 36.866 10.173 3.994 1.00 0.00 N ATOM 169 CA GLU A 12 37.025 11.611 4.354 1.00 0.00 C ATOM 170 C GLU A 12 37.034 11.778 5.877 1.00 0.00 C ATOM 171 O GLU A 12 36.392 11.037 6.595 1.00 0.00 O ATOM 172 CB GLU A 12 35.809 12.309 3.743 1.00 0.00 C ATOM 173 CG GLU A 12 35.876 12.204 2.218 1.00 0.00 C ATOM 174 CD GLU A 12 34.681 12.933 1.603 1.00 0.00 C ATOM 175 OE1 GLU A 12 33.769 13.265 2.343 1.00 0.00 O ATOM 176 OE2 GLU A 12 34.696 13.148 0.402 1.00 0.00 O ATOM 0 H GLU A 12 36.065 9.705 4.418 1.00 0.00 H new ATOM 0 HA GLU A 12 37.962 12.028 3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 12 34.890 11.851 4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 12 35.786 13.356 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 12 36.807 12.638 1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 12 35.872 11.157 1.915 1.00 0.00 H new ATOM 183 N CYS A 13 37.756 12.745 6.374 1.00 0.00 N ATOM 184 CA CYS A 13 37.804 12.954 7.849 1.00 0.00 C ATOM 185 C CYS A 13 36.907 14.132 8.245 1.00 0.00 C ATOM 186 O CYS A 13 37.080 15.240 7.778 1.00 0.00 O ATOM 187 CB CYS A 13 39.269 13.266 8.158 1.00 0.00 C ATOM 188 SG CYS A 13 40.272 11.780 7.901 1.00 0.00 S ATOM 0 H CYS A 13 38.314 13.398 5.824 1.00 0.00 H new ATOM 0 HA CYS A 13 37.448 12.084 8.402 1.00 0.00 H new ATOM 0 HB2 CYS A 13 39.623 14.072 7.515 1.00 0.00 H new ATOM 0 HB3 CYS A 13 39.369 13.611 9.187 1.00 0.00 H new ATOM 193 N LEU A 14 35.948 13.900 9.101 1.00 0.00 N ATOM 194 CA LEU A 14 35.039 15.007 9.522 1.00 0.00 C ATOM 195 C LEU A 14 35.291 15.382 10.984 1.00 0.00 C ATOM 196 O LEU A 14 35.618 14.545 11.802 1.00 0.00 O ATOM 197 CB LEU A 14 33.627 14.445 9.360 1.00 0.00 C ATOM 198 CG LEU A 14 33.313 14.249 7.878 1.00 0.00 C ATOM 199 CD1 LEU A 14 33.700 15.508 7.101 1.00 0.00 C ATOM 200 CD2 LEU A 14 34.106 13.054 7.344 1.00 0.00 C ATOM 0 H LEU A 14 35.754 12.994 9.527 1.00 0.00 H new ATOM 0 HA LEU A 14 35.196 15.909 8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 14 33.541 13.495 9.888 1.00 0.00 H new ATOM 0 HB3 LEU A 14 32.902 15.125 9.808 1.00 0.00 H new ATOM 0 HG LEU A 14 32.246 14.063 7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 14 33.475 15.367 6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 14 33.134 16.359 7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.766 15.697 7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 14 33.883 12.913 6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 14 35.173 13.240 7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 14 33.828 12.157 7.896 1.00 0.00 H new ATOM 212 N GLN A 15 35.128 16.632 11.322 1.00 0.00 N ATOM 213 CA GLN A 15 35.347 17.057 12.734 1.00 0.00 C ATOM 214 C GLN A 15 34.171 16.606 13.603 1.00 0.00 C ATOM 215 O GLN A 15 34.303 16.420 14.797 1.00 0.00 O ATOM 216 CB GLN A 15 35.416 18.583 12.683 1.00 0.00 C ATOM 217 CG GLN A 15 34.023 19.146 12.397 1.00 0.00 C ATOM 218 CD GLN A 15 34.080 20.675 12.423 1.00 0.00 C ATOM 219 OE1 GLN A 15 34.870 21.253 13.144 1.00 0.00 O ATOM 220 NE2 GLN A 15 33.268 21.359 11.665 1.00 0.00 N ATOM 0 H GLN A 15 34.853 17.377 10.682 1.00 0.00 H new ATOM 0 HA GLN A 15 36.250 16.623 13.162 1.00 0.00 H new ATOM 0 HB2 GLN A 15 35.790 18.973 13.630 1.00 0.00 H new ATOM 0 HB3 GLN A 15 36.115 18.901 11.909 1.00 0.00 H new ATOM 0 HG2 GLN A 15 33.671 18.800 11.425 1.00 0.00 H new ATOM 0 HG3 GLN A 15 33.312 18.784 13.140 1.00 0.00 H new ATOM 0 HE21 GLN A 15 32.605 20.874 11.060 1.00 0.00 H new ATOM 0 HE22 GLN A 15 33.296 22.379 11.677 1.00 0.00 H new ATOM 229 N ARG A 16 33.021 16.433 13.011 1.00 0.00 N ATOM 230 CA ARG A 16 31.832 15.997 13.800 1.00 0.00 C ATOM 231 C ARG A 16 30.920 15.115 12.939 1.00 0.00 C ATOM 232 O ARG A 16 29.801 15.479 12.637 1.00 0.00 O ATOM 233 CB ARG A 16 31.111 17.291 14.177 1.00 0.00 C ATOM 234 CG ARG A 16 31.871 18.006 15.297 1.00 0.00 C ATOM 235 CD ARG A 16 31.152 19.312 15.639 1.00 0.00 C ATOM 236 NE ARG A 16 32.012 19.972 16.661 1.00 0.00 N ATOM 237 CZ ARG A 16 31.691 21.151 17.121 1.00 0.00 C ATOM 238 NH1 ARG A 16 30.445 21.539 17.109 1.00 0.00 N ATOM 239 NH2 ARG A 16 32.616 21.941 17.594 1.00 0.00 N ATOM 0 H ARG A 16 32.852 16.575 12.015 1.00 0.00 H new ATOM 0 HA ARG A 16 32.112 15.412 14.676 1.00 0.00 H new ATOM 0 HB2 ARG A 16 31.034 17.941 13.306 1.00 0.00 H new ATOM 0 HB3 ARG A 16 30.094 17.069 14.500 1.00 0.00 H new ATOM 0 HG2 ARG A 16 31.929 17.367 16.178 1.00 0.00 H new ATOM 0 HG3 ARG A 16 32.895 18.212 14.984 1.00 0.00 H new ATOM 0 HD2 ARG A 16 31.035 19.941 14.756 1.00 0.00 H new ATOM 0 HD3 ARG A 16 30.152 19.121 16.029 1.00 0.00 H new ATOM 0 HE ARG A 16 32.851 19.503 17.001 1.00 0.00 H new ATOM 0 HH11 ARG A 16 29.722 20.921 16.740 1.00 0.00 H new ATOM 0 HH12 ARG A 16 30.194 22.460 17.468 1.00 0.00 H new ATOM 0 HH21 ARG A 16 33.590 21.637 17.604 1.00 0.00 H new ATOM 0 HH22 ARG A 16 32.365 22.862 17.953 1.00 0.00 H new ATOM 253 N CYS A 17 31.394 13.965 12.536 1.00 0.00 N ATOM 254 CA CYS A 17 30.559 13.058 11.688 1.00 0.00 C ATOM 255 C CYS A 17 29.095 13.088 12.134 1.00 0.00 C ATOM 256 O CYS A 17 28.782 13.421 13.260 1.00 0.00 O ATOM 257 CB CYS A 17 31.140 11.660 11.902 1.00 0.00 C ATOM 258 SG CYS A 17 32.861 11.618 11.344 1.00 0.00 S ATOM 0 H CYS A 17 32.325 13.613 12.757 1.00 0.00 H new ATOM 0 HA CYS A 17 30.578 13.361 10.641 1.00 0.00 H new ATOM 0 HB2 CYS A 17 31.084 11.391 12.957 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.552 10.924 11.353 1.00 0.00 H new ATOM 263 N ILE A 18 28.197 12.735 11.255 1.00 0.00 N ATOM 264 CA ILE A 18 26.752 12.732 11.621 1.00 0.00 C ATOM 265 C ILE A 18 26.132 11.372 11.289 1.00 0.00 C ATOM 266 O ILE A 18 26.757 10.529 10.678 1.00 0.00 O ATOM 267 CB ILE A 18 26.126 13.830 10.761 1.00 0.00 C ATOM 268 CG1 ILE A 18 26.252 13.453 9.283 1.00 0.00 C ATOM 269 CG2 ILE A 18 26.853 15.152 11.013 1.00 0.00 C ATOM 270 CD1 ILE A 18 25.399 14.402 8.438 1.00 0.00 C ATOM 0 H ILE A 18 28.402 12.448 10.298 1.00 0.00 H new ATOM 0 HA ILE A 18 26.591 12.906 12.685 1.00 0.00 H new ATOM 0 HB ILE A 18 25.073 13.939 11.021 1.00 0.00 H new ATOM 0 HG12 ILE A 18 27.295 13.509 8.970 1.00 0.00 H new ATOM 0 HG13 ILE A 18 25.928 12.423 9.131 1.00 0.00 H new ATOM 0 HG21 ILE A 18 26.407 15.935 10.400 1.00 0.00 H new ATOM 0 HG22 ILE A 18 26.765 15.421 12.066 1.00 0.00 H new ATOM 0 HG23 ILE A 18 27.906 15.043 10.753 1.00 0.00 H new ATOM 0 HD11 ILE A 18 25.489 14.133 7.386 1.00 0.00 H new ATOM 0 HD12 ILE A 18 24.356 14.324 8.744 1.00 0.00 H new ATOM 0 HD13 ILE A 18 25.744 15.426 8.581 1.00 0.00 H new ATOM 282 N GLY A 19 24.907 11.154 11.683 1.00 0.00 N ATOM 283 CA GLY A 19 24.251 9.849 11.386 1.00 0.00 C ATOM 284 C GLY A 19 24.485 9.487 9.921 1.00 0.00 C ATOM 285 O GLY A 19 24.842 8.373 9.591 1.00 0.00 O ATOM 0 H GLY A 19 24.333 11.822 12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 19 24.655 9.071 12.034 1.00 0.00 H new ATOM 0 HA3 GLY A 19 23.182 9.911 11.591 1.00 0.00 H new ATOM 289 N LEU A 20 24.284 10.424 9.043 1.00 0.00 N ATOM 290 CA LEU A 20 24.487 10.154 7.591 1.00 0.00 C ATOM 291 C LEU A 20 25.843 9.491 7.349 1.00 0.00 C ATOM 292 O LEU A 20 25.991 8.650 6.485 1.00 0.00 O ATOM 293 CB LEU A 20 24.449 11.530 6.925 1.00 0.00 C ATOM 294 CG LEU A 20 22.999 11.937 6.668 1.00 0.00 C ATOM 295 CD1 LEU A 20 22.428 11.100 5.521 1.00 0.00 C ATOM 296 CD2 LEU A 20 22.171 11.707 7.933 1.00 0.00 C ATOM 0 H LEU A 20 23.986 11.373 9.267 1.00 0.00 H new ATOM 0 HA LEU A 20 23.729 9.478 7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 20 24.936 12.267 7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 20 25.002 11.506 5.986 1.00 0.00 H new ATOM 0 HG LEU A 20 22.961 12.993 6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 20 21.394 11.391 5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 20 23.017 11.268 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 20 22.466 10.044 5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.137 11.998 7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 20 22.208 10.652 8.206 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.577 12.307 8.748 1.00 0.00 H new ATOM 308 N PHE A 21 26.839 9.874 8.095 1.00 0.00 N ATOM 309 CA PHE A 21 28.191 9.277 7.892 1.00 0.00 C ATOM 310 C PHE A 21 28.588 8.396 9.081 1.00 0.00 C ATOM 311 O PHE A 21 28.334 8.721 10.224 1.00 0.00 O ATOM 312 CB PHE A 21 29.134 10.475 7.779 1.00 0.00 C ATOM 313 CG PHE A 21 28.789 11.273 6.545 1.00 0.00 C ATOM 314 CD1 PHE A 21 27.668 12.111 6.540 1.00 0.00 C ATOM 315 CD2 PHE A 21 29.594 11.177 5.403 1.00 0.00 C ATOM 316 CE1 PHE A 21 27.352 12.853 5.394 1.00 0.00 C ATOM 317 CE2 PHE A 21 29.279 11.916 4.259 1.00 0.00 C ATOM 318 CZ PHE A 21 28.158 12.755 4.253 1.00 0.00 C ATOM 0 H PHE A 21 26.778 10.573 8.836 1.00 0.00 H new ATOM 0 HA PHE A 21 28.223 8.637 7.010 1.00 0.00 H new ATOM 0 HB2 PHE A 21 29.050 11.103 8.666 1.00 0.00 H new ATOM 0 HB3 PHE A 21 30.168 10.134 7.727 1.00 0.00 H new ATOM 0 HD1 PHE A 21 27.046 12.186 7.420 1.00 0.00 H new ATOM 0 HD2 PHE A 21 30.459 10.531 5.406 1.00 0.00 H new ATOM 0 HE1 PHE A 21 26.487 13.500 5.391 1.00 0.00 H new ATOM 0 HE2 PHE A 21 29.901 11.840 3.379 1.00 0.00 H new ATOM 0 HZ PHE A 21 27.915 13.326 3.369 1.00 0.00 H new ATOM 328 N HIS A 22 29.223 7.287 8.816 1.00 0.00 N ATOM 329 CA HIS A 22 29.656 6.385 9.921 1.00 0.00 C ATOM 330 C HIS A 22 31.186 6.370 9.994 1.00 0.00 C ATOM 331 O HIS A 22 31.861 6.273 8.989 1.00 0.00 O ATOM 332 CB HIS A 22 29.107 5.007 9.549 1.00 0.00 C ATOM 333 CG HIS A 22 27.607 5.076 9.464 1.00 0.00 C ATOM 334 ND1 HIS A 22 26.810 5.226 10.588 1.00 0.00 N ATOM 335 CD2 HIS A 22 26.744 5.023 8.397 1.00 0.00 C ATOM 336 CE1 HIS A 22 25.529 5.255 10.177 1.00 0.00 C ATOM 337 NE2 HIS A 22 25.431 5.136 8.851 1.00 0.00 N ATOM 0 H HIS A 22 29.461 6.966 7.878 1.00 0.00 H new ATOM 0 HA HIS A 22 29.292 6.704 10.898 1.00 0.00 H new ATOM 0 HB2 HIS A 22 29.522 4.683 8.595 1.00 0.00 H new ATOM 0 HB3 HIS A 22 29.407 4.270 10.294 1.00 0.00 H new ATOM 0 HD2 HIS A 22 27.038 4.911 7.364 1.00 0.00 H new ATOM 0 HE1 HIS A 22 24.683 5.362 10.840 1.00 0.00 H new ATOM 0 HE2 HIS A 22 24.579 5.129 8.291 1.00 0.00 H new ATOM 345 N LYS A 23 31.738 6.487 11.170 1.00 0.00 N ATOM 346 CA LYS A 23 33.224 6.507 11.294 1.00 0.00 C ATOM 347 C LYS A 23 33.835 5.153 10.921 1.00 0.00 C ATOM 348 O LYS A 23 33.523 4.134 11.505 1.00 0.00 O ATOM 349 CB LYS A 23 33.501 6.822 12.763 1.00 0.00 C ATOM 350 CG LYS A 23 35.011 6.774 13.017 1.00 0.00 C ATOM 351 CD LYS A 23 35.285 7.017 14.503 1.00 0.00 C ATOM 352 CE LYS A 23 35.083 5.712 15.275 1.00 0.00 C ATOM 353 NZ LYS A 23 35.285 6.077 16.705 1.00 0.00 N ATOM 0 H LYS A 23 31.227 6.569 12.049 1.00 0.00 H new ATOM 0 HA LYS A 23 33.666 7.241 10.620 1.00 0.00 H new ATOM 0 HB2 LYS A 23 33.110 7.808 13.015 1.00 0.00 H new ATOM 0 HB3 LYS A 23 32.990 6.103 13.403 1.00 0.00 H new ATOM 0 HG2 LYS A 23 35.411 5.806 12.716 1.00 0.00 H new ATOM 0 HG3 LYS A 23 35.516 7.529 12.415 1.00 0.00 H new ATOM 0 HD2 LYS A 23 36.303 7.381 14.642 1.00 0.00 H new ATOM 0 HD3 LYS A 23 34.616 7.787 14.887 1.00 0.00 H new ATOM 0 HE2 LYS A 23 34.086 5.305 15.108 1.00 0.00 H new ATOM 0 HE3 LYS A 23 35.795 4.951 14.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 35.163 5.232 17.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 36.245 6.455 16.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 34.588 6.798 16.981 1.00 0.00 H new ATOM 367 N ILE A 24 34.726 5.147 9.966 1.00 0.00 N ATOM 368 CA ILE A 24 35.389 3.873 9.564 1.00 0.00 C ATOM 369 C ILE A 24 36.657 3.697 10.390 1.00 0.00 C ATOM 370 O ILE A 24 37.031 2.604 10.762 1.00 0.00 O ATOM 371 CB ILE A 24 35.743 4.051 8.088 1.00 0.00 C ATOM 372 CG1 ILE A 24 34.554 4.665 7.347 1.00 0.00 C ATOM 373 CG2 ILE A 24 36.093 2.693 7.476 1.00 0.00 C ATOM 374 CD1 ILE A 24 33.390 3.670 7.322 1.00 0.00 C ATOM 0 H ILE A 24 35.024 5.972 9.446 1.00 0.00 H new ATOM 0 HA ILE A 24 34.756 2.999 9.721 1.00 0.00 H new ATOM 0 HB ILE A 24 36.603 4.715 7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 24 34.245 5.588 7.837 1.00 0.00 H new ATOM 0 HG13 ILE A 24 34.843 4.926 6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 24 36.345 2.822 6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 24 36.946 2.265 8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 24 35.238 2.023 7.565 1.00 0.00 H new ATOM 0 HD11 ILE A 24 32.545 4.111 6.793 1.00 0.00 H new ATOM 0 HD12 ILE A 24 33.701 2.759 6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 24 33.094 3.431 8.343 1.00 0.00 H new ATOM 386 N GLY A 25 37.316 4.780 10.681 1.00 0.00 N ATOM 387 CA GLY A 25 38.562 4.703 11.487 1.00 0.00 C ATOM 388 C GLY A 25 38.757 6.015 12.251 1.00 0.00 C ATOM 389 O GLY A 25 37.843 6.524 12.868 1.00 0.00 O ATOM 0 H GLY A 25 37.044 5.720 10.394 1.00 0.00 H new ATOM 0 HA2 GLY A 25 38.505 3.868 12.185 1.00 0.00 H new ATOM 0 HA3 GLY A 25 39.417 4.517 10.837 1.00 0.00 H new ATOM 393 N THR A 26 39.941 6.565 12.221 1.00 0.00 N ATOM 394 CA THR A 26 40.180 7.841 12.956 1.00 0.00 C ATOM 395 C THR A 26 40.951 8.840 12.087 1.00 0.00 C ATOM 396 O THR A 26 41.508 8.495 11.064 1.00 0.00 O ATOM 397 CB THR A 26 41.015 7.449 14.177 1.00 0.00 C ATOM 398 OG1 THR A 26 40.414 6.336 14.826 1.00 0.00 O ATOM 399 CG2 THR A 26 41.087 8.629 15.146 1.00 0.00 C ATOM 0 H THR A 26 40.748 6.189 11.723 1.00 0.00 H new ATOM 0 HA THR A 26 39.243 8.325 13.232 1.00 0.00 H new ATOM 0 HB THR A 26 42.022 7.181 13.857 1.00 0.00 H new ATOM 0 HG1 THR A 26 40.950 6.084 15.607 1.00 0.00 H new ATOM 0 HG21 THR A 26 41.682 8.350 16.016 1.00 0.00 H new ATOM 0 HG22 THR A 26 41.550 9.481 14.648 1.00 0.00 H new ATOM 0 HG23 THR A 26 40.081 8.899 15.466 1.00 0.00 H new ATOM 407 N CYS A 27 40.988 10.078 12.504 1.00 0.00 N ATOM 408 CA CYS A 27 41.721 11.121 11.730 1.00 0.00 C ATOM 409 C CYS A 27 42.388 12.098 12.699 1.00 0.00 C ATOM 410 O CYS A 27 42.524 11.820 13.873 1.00 0.00 O ATOM 411 CB CYS A 27 40.648 11.834 10.905 1.00 0.00 C ATOM 412 SG CYS A 27 40.044 10.724 9.609 1.00 0.00 S ATOM 0 H CYS A 27 40.537 10.413 13.355 1.00 0.00 H new ATOM 0 HA CYS A 27 42.503 10.702 11.096 1.00 0.00 H new ATOM 0 HB2 CYS A 27 39.824 12.141 11.549 1.00 0.00 H new ATOM 0 HB3 CYS A 27 41.059 12.740 10.460 1.00 0.00 H new ATOM 417 N ASN A 28 42.801 13.238 12.218 1.00 0.00 N ATOM 418 CA ASN A 28 43.456 14.235 13.119 1.00 0.00 C ATOM 419 C ASN A 28 42.727 14.281 14.466 1.00 0.00 C ATOM 420 O ASN A 28 41.567 13.935 14.565 1.00 0.00 O ATOM 421 CB ASN A 28 43.330 15.574 12.393 1.00 0.00 C ATOM 422 CG ASN A 28 44.142 16.637 13.138 1.00 0.00 C ATOM 423 OD1 ASN A 28 43.765 17.066 14.210 1.00 0.00 O ATOM 424 ND2 ASN A 28 45.249 17.084 12.609 1.00 0.00 N ATOM 0 H ASN A 28 42.715 13.524 11.243 1.00 0.00 H new ATOM 0 HA ASN A 28 44.497 13.985 13.326 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.689 15.479 11.368 1.00 0.00 H new ATOM 0 HB3 ASN A 28 42.283 15.873 12.338 1.00 0.00 H new ATOM 0 HD21 ASN A 28 45.797 17.793 13.096 1.00 0.00 H new ATOM 0 HD22 ASN A 28 45.566 16.724 11.709 1.00 0.00 H new ATOM 431 N PHE A 29 43.400 14.690 15.505 1.00 0.00 N ATOM 432 CA PHE A 29 42.746 14.739 16.846 1.00 0.00 C ATOM 433 C PHE A 29 41.401 15.469 16.775 1.00 0.00 C ATOM 434 O PHE A 29 40.463 15.125 17.469 1.00 0.00 O ATOM 435 CB PHE A 29 43.721 15.505 17.739 1.00 0.00 C ATOM 436 CG PHE A 29 43.211 15.492 19.160 1.00 0.00 C ATOM 437 CD1 PHE A 29 43.271 14.314 19.913 1.00 0.00 C ATOM 438 CD2 PHE A 29 42.674 16.656 19.724 1.00 0.00 C ATOM 439 CE1 PHE A 29 42.794 14.299 21.230 1.00 0.00 C ATOM 440 CE2 PHE A 29 42.198 16.641 21.041 1.00 0.00 C ATOM 441 CZ PHE A 29 42.258 15.462 21.793 1.00 0.00 C ATOM 0 H PHE A 29 44.374 14.993 15.486 1.00 0.00 H new ATOM 0 HA PHE A 29 42.536 13.740 17.227 1.00 0.00 H new ATOM 0 HB2 PHE A 29 44.710 15.050 17.691 1.00 0.00 H new ATOM 0 HB3 PHE A 29 43.825 16.531 17.387 1.00 0.00 H new ATOM 0 HD1 PHE A 29 43.685 13.416 19.479 1.00 0.00 H new ATOM 0 HD2 PHE A 29 42.627 17.565 19.143 1.00 0.00 H new ATOM 0 HE1 PHE A 29 42.840 13.390 21.811 1.00 0.00 H new ATOM 0 HE2 PHE A 29 41.785 17.539 21.476 1.00 0.00 H new ATOM 0 HZ PHE A 29 41.890 15.450 22.808 1.00 0.00 H new ATOM 451 N ARG A 30 41.295 16.479 15.956 1.00 0.00 N ATOM 452 CA ARG A 30 40.006 17.226 15.864 1.00 0.00 C ATOM 453 C ARG A 30 39.146 16.681 14.722 1.00 0.00 C ATOM 454 O ARG A 30 38.111 17.229 14.399 1.00 0.00 O ATOM 455 CB ARG A 30 40.404 18.672 15.579 1.00 0.00 C ATOM 456 CG ARG A 30 41.126 19.255 16.795 1.00 0.00 C ATOM 457 CD ARG A 30 41.473 20.718 16.521 1.00 0.00 C ATOM 458 NE ARG A 30 42.326 20.683 15.299 1.00 0.00 N ATOM 459 CZ ARG A 30 43.615 20.522 15.407 1.00 0.00 C ATOM 460 NH1 ARG A 30 44.145 19.344 15.217 1.00 0.00 N ATOM 461 NH2 ARG A 30 44.376 21.538 15.704 1.00 0.00 N ATOM 0 H ARG A 30 42.041 16.819 15.349 1.00 0.00 H new ATOM 0 HA ARG A 30 39.417 17.131 16.776 1.00 0.00 H new ATOM 0 HB2 ARG A 30 41.052 18.716 14.703 1.00 0.00 H new ATOM 0 HB3 ARG A 30 39.519 19.265 15.350 1.00 0.00 H new ATOM 0 HG2 ARG A 30 40.493 19.179 17.679 1.00 0.00 H new ATOM 0 HG3 ARG A 30 42.033 18.686 17.001 1.00 0.00 H new ATOM 0 HD2 ARG A 30 40.575 21.314 16.360 1.00 0.00 H new ATOM 0 HD3 ARG A 30 42.005 21.163 17.362 1.00 0.00 H new ATOM 0 HE ARG A 30 41.901 20.785 14.378 1.00 0.00 H new ATOM 0 HH11 ARG A 30 43.550 18.549 14.984 1.00 0.00 H new ATOM 0 HH12 ARG A 30 45.154 19.219 15.302 1.00 0.00 H new ATOM 0 HH21 ARG A 30 43.963 22.459 15.852 1.00 0.00 H new ATOM 0 HH22 ARG A 30 45.385 21.412 15.789 1.00 0.00 H new ATOM 475 N PHE A 31 39.563 15.611 14.107 1.00 0.00 N ATOM 476 CA PHE A 31 38.762 15.045 12.986 1.00 0.00 C ATOM 477 C PHE A 31 38.730 13.518 13.070 1.00 0.00 C ATOM 478 O PHE A 31 39.613 12.898 13.628 1.00 0.00 O ATOM 479 CB PHE A 31 39.485 15.495 11.716 1.00 0.00 C ATOM 480 CG PHE A 31 39.360 16.992 11.572 1.00 0.00 C ATOM 481 CD1 PHE A 31 38.251 17.541 10.919 1.00 0.00 C ATOM 482 CD2 PHE A 31 40.352 17.830 12.093 1.00 0.00 C ATOM 483 CE1 PHE A 31 38.136 18.930 10.785 1.00 0.00 C ATOM 484 CE2 PHE A 31 40.236 19.220 11.959 1.00 0.00 C ATOM 485 CZ PHE A 31 39.127 19.769 11.306 1.00 0.00 C ATOM 0 H PHE A 31 40.420 15.105 14.330 1.00 0.00 H new ATOM 0 HA PHE A 31 37.726 15.384 13.010 1.00 0.00 H new ATOM 0 HB2 PHE A 31 40.536 15.209 11.762 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.057 14.998 10.845 1.00 0.00 H new ATOM 0 HD1 PHE A 31 37.484 16.894 10.519 1.00 0.00 H new ATOM 0 HD2 PHE A 31 41.207 17.406 12.598 1.00 0.00 H new ATOM 0 HE1 PHE A 31 37.281 19.354 10.279 1.00 0.00 H new ATOM 0 HE2 PHE A 31 41.002 19.867 12.360 1.00 0.00 H new ATOM 0 HZ PHE A 31 39.036 20.840 11.204 1.00 0.00 H new ATOM 495 N LYS A 32 37.719 12.910 12.514 1.00 0.00 N ATOM 496 CA LYS A 32 37.630 11.422 12.555 1.00 0.00 C ATOM 497 C LYS A 32 37.385 10.873 11.146 1.00 0.00 C ATOM 498 O LYS A 32 36.884 11.562 10.283 1.00 0.00 O ATOM 499 CB LYS A 32 36.441 11.117 13.463 1.00 0.00 C ATOM 500 CG LYS A 32 36.762 11.562 14.891 1.00 0.00 C ATOM 501 CD LYS A 32 35.625 11.145 15.826 1.00 0.00 C ATOM 502 CE LYS A 32 35.977 11.536 17.262 1.00 0.00 C ATOM 503 NZ LYS A 32 36.180 13.012 17.216 1.00 0.00 N ATOM 0 H LYS A 32 36.951 13.378 12.033 1.00 0.00 H new ATOM 0 HA LYS A 32 38.548 10.963 12.923 1.00 0.00 H new ATOM 0 HB2 LYS A 32 35.552 11.633 13.101 1.00 0.00 H new ATOM 0 HB3 LYS A 32 36.220 10.050 13.444 1.00 0.00 H new ATOM 0 HG2 LYS A 32 37.700 11.114 15.220 1.00 0.00 H new ATOM 0 HG3 LYS A 32 36.896 12.643 14.924 1.00 0.00 H new ATOM 0 HD2 LYS A 32 34.696 11.628 15.524 1.00 0.00 H new ATOM 0 HD3 LYS A 32 35.462 10.069 15.760 1.00 0.00 H new ATOM 0 HE2 LYS A 32 35.177 11.268 17.952 1.00 0.00 H new ATOM 0 HE3 LYS A 32 36.877 11.023 17.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 35.860 13.435 18.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 37.190 13.219 17.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 35.632 13.413 16.428 1.00 0.00 H new ATOM 517 N CYS A 33 37.735 9.639 10.910 1.00 0.00 N ATOM 518 CA CYS A 33 37.525 9.046 9.557 1.00 0.00 C ATOM 519 C CYS A 33 36.063 8.625 9.381 1.00 0.00 C ATOM 520 O CYS A 33 35.561 7.792 10.107 1.00 0.00 O ATOM 521 CB CYS A 33 38.438 7.821 9.513 1.00 0.00 C ATOM 522 SG CYS A 33 38.320 7.037 7.886 1.00 0.00 S ATOM 0 H CYS A 33 38.158 9.014 11.596 1.00 0.00 H new ATOM 0 HA CYS A 33 37.751 9.755 8.760 1.00 0.00 H new ATOM 0 HB2 CYS A 33 39.468 8.115 9.713 1.00 0.00 H new ATOM 0 HB3 CYS A 33 38.152 7.113 10.291 1.00 0.00 H new ATOM 527 N CYS A 34 35.379 9.191 8.423 1.00 0.00 N ATOM 528 CA CYS A 34 33.950 8.817 8.206 1.00 0.00 C ATOM 529 C CYS A 34 33.653 8.710 6.709 1.00 0.00 C ATOM 530 O CYS A 34 34.009 9.574 5.932 1.00 0.00 O ATOM 531 CB CYS A 34 33.142 9.952 8.833 1.00 0.00 C ATOM 532 SG CYS A 34 33.104 9.744 10.631 1.00 0.00 S ATOM 0 H CYS A 34 35.746 9.895 7.782 1.00 0.00 H new ATOM 0 HA CYS A 34 33.705 7.851 8.648 1.00 0.00 H new ATOM 0 HB2 CYS A 34 33.586 10.914 8.577 1.00 0.00 H new ATOM 0 HB3 CYS A 34 32.127 9.953 8.435 1.00 0.00 H new ATOM 537 N LYS A 35 32.998 7.659 6.297 1.00 0.00 N ATOM 538 CA LYS A 35 32.678 7.501 4.849 1.00 0.00 C ATOM 539 C LYS A 35 31.170 7.317 4.659 1.00 0.00 C ATOM 540 O LYS A 35 30.473 6.871 5.549 1.00 0.00 O ATOM 541 CB LYS A 35 33.435 6.247 4.413 1.00 0.00 C ATOM 542 CG LYS A 35 34.938 6.528 4.450 1.00 0.00 C ATOM 543 CD LYS A 35 35.699 5.307 3.931 1.00 0.00 C ATOM 544 CE LYS A 35 35.582 5.243 2.407 1.00 0.00 C ATOM 545 NZ LYS A 35 36.213 3.948 2.030 1.00 0.00 N ATOM 0 H LYS A 35 32.671 6.904 6.899 1.00 0.00 H new ATOM 0 HA LYS A 35 32.965 8.373 4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.192 5.414 5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 35 33.132 5.956 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 35 35.171 7.401 3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 35 35.251 6.759 5.468 1.00 0.00 H new ATOM 0 HD2 LYS A 35 36.747 5.367 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 35 35.295 4.397 4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.540 5.283 2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 35 36.092 6.083 1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 36.172 3.830 0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 37.206 3.942 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 35.702 3.167 2.488 1.00 0.00 H new ATOM 559 N PHE A 36 30.663 7.657 3.505 1.00 0.00 N ATOM 560 CA PHE A 36 29.201 7.500 3.260 1.00 0.00 C ATOM 561 C PHE A 36 28.881 6.048 2.900 1.00 0.00 C ATOM 562 O PHE A 36 29.610 5.404 2.169 1.00 0.00 O ATOM 563 CB PHE A 36 28.891 8.425 2.082 1.00 0.00 C ATOM 564 CG PHE A 36 27.418 8.351 1.759 1.00 0.00 C ATOM 565 CD1 PHE A 36 26.490 9.012 2.572 1.00 0.00 C ATOM 566 CD2 PHE A 36 26.979 7.619 0.649 1.00 0.00 C ATOM 567 CE1 PHE A 36 25.124 8.942 2.276 1.00 0.00 C ATOM 568 CE2 PHE A 36 25.613 7.549 0.352 1.00 0.00 C ATOM 569 CZ PHE A 36 24.685 8.210 1.166 1.00 0.00 C ATOM 0 H PHE A 36 31.197 8.036 2.723 1.00 0.00 H new ATOM 0 HA PHE A 36 28.607 7.750 4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 36 29.170 9.450 2.327 1.00 0.00 H new ATOM 0 HB3 PHE A 36 29.480 8.134 1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 36 26.828 9.576 3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 36 27.695 7.108 0.022 1.00 0.00 H new ATOM 0 HE1 PHE A 36 24.409 9.452 2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 36 25.275 6.985 -0.505 1.00 0.00 H new ATOM 0 HZ PHE A 36 23.631 8.155 0.938 1.00 0.00 H new ATOM 579 N GLN A 37 27.799 5.525 3.406 1.00 0.00 N ATOM 580 CA GLN A 37 27.436 4.114 3.092 1.00 0.00 C ATOM 581 C GLN A 37 25.914 3.942 3.110 1.00 0.00 C ATOM 582 O GLN A 37 25.367 3.805 4.192 1.00 0.00 O ATOM 583 CB GLN A 37 28.084 3.284 4.198 1.00 0.00 C ATOM 584 CG GLN A 37 27.736 1.809 3.995 1.00 0.00 C ATOM 585 CD GLN A 37 28.390 0.972 5.097 1.00 0.00 C ATOM 586 OE1 GLN A 37 29.600 0.884 5.173 1.00 0.00 O ATOM 587 NE2 GLN A 37 27.635 0.352 5.963 1.00 0.00 N ATOM 588 OXT GLN A 37 25.324 3.949 2.042 1.00 0.00 O ATOM 0 H GLN A 37 27.150 6.013 4.023 1.00 0.00 H new ATOM 0 HA GLN A 37 27.777 3.810 2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 37 29.165 3.419 4.183 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.734 3.621 5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 37 26.655 1.674 4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 37 28.081 1.475 3.017 1.00 0.00 H new ATOM 0 HE21 GLN A 37 26.620 0.426 5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 37 28.060 -0.206 6.703 1.00 0.00 H new TER 597 GLN A 37