USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 394 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 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 13 SER OG : rot 88:sc= 0.888 USER MOD Single : A 1 ARG N :NH3+ -170:sc= -0.791 (180deg=-0.925) USER MOD Single : A 20 SER OG : rot -80:sc= 0.793 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 46:sc= 1.21 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN :FLIP amide:sc= -1.73 F(o=-2.4!,f=-1.7) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -45:sc= 0.0251 USER MOD Single : A 28 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.4) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 31 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.02) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 35 TYR OH : rot 30:sc= 0.0309 USER MOD Single : A 36 SER OG : rot 139:sc= 1.31 USER MOD Single : A 41 ASN : amide:sc= 0.506 K(o=0.51,f=-1.5!) USER MOD Single : A 43 ASN : amide:sc= 0.444 K(o=0.44,f=-3.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.802 X(o=-0.8,f=-0.7) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.240 -5.687 2.515 1.00 0.00 N ATOM 2 CA ARG A 1 10.820 -5.343 2.402 1.00 0.00 C ATOM 3 C ARG A 1 10.022 -6.393 3.180 1.00 0.00 C ATOM 4 O ARG A 1 10.093 -7.578 2.849 1.00 0.00 O ATOM 5 CB ARG A 1 10.346 -5.257 0.931 1.00 0.00 C ATOM 6 CG ARG A 1 10.883 -6.312 -0.054 1.00 0.00 C ATOM 7 CD ARG A 1 12.278 -5.976 -0.623 1.00 0.00 C ATOM 8 NE ARG A 1 12.262 -5.119 -1.818 1.00 0.00 N ATOM 9 CZ ARG A 1 12.068 -5.554 -3.072 1.00 0.00 C ATOM 10 NH1 ARG A 1 11.596 -6.785 -3.266 1.00 0.00 N ATOM 11 NH2 ARG A 1 12.349 -4.762 -4.103 1.00 0.00 N ATOM 0 H1 ARG A 1 12.817 -4.906 2.144 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.479 -5.850 3.514 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.433 -6.550 1.968 1.00 0.00 H new ATOM 0 HA ARG A 1 10.657 -4.350 2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.258 -5.315 0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.615 -4.272 0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 1 10.929 -7.277 0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.179 -6.417 -0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.863 -5.483 0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.790 -6.907 -0.866 1.00 0.00 H new ATOM 0 HE ARG A 1 12.409 -4.119 -1.683 1.00 0.00 H new ATOM 0 HH11 ARG A 1 11.387 -7.383 -2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 1 11.443 -7.129 -4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 1 12.712 -3.823 -3.940 1.00 0.00 H new ATOM 0 HH22 ARG A 1 12.201 -5.094 -5.056 1.00 0.00 H new ATOM 25 N PRO A 2 9.298 -6.005 4.238 1.00 0.00 N ATOM 26 CA PRO A 2 8.492 -6.933 5.002 1.00 0.00 C ATOM 27 C PRO A 2 7.405 -7.493 4.074 1.00 0.00 C ATOM 28 O PRO A 2 6.843 -6.759 3.259 1.00 0.00 O ATOM 29 CB PRO A 2 7.902 -6.117 6.151 1.00 0.00 C ATOM 30 CG PRO A 2 7.862 -4.706 5.594 1.00 0.00 C ATOM 31 CD PRO A 2 9.140 -4.664 4.754 1.00 0.00 C ATOM 0 HA PRO A 2 9.053 -7.779 5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.908 -6.469 6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.520 -6.178 7.047 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.971 -4.530 4.992 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.867 -3.955 6.384 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.056 -3.938 3.945 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.999 -4.371 5.358 1.00 0.00 H new ATOM 39 N ARG A 3 7.053 -8.772 4.210 1.00 0.00 N ATOM 40 CA ARG A 3 6.042 -9.421 3.374 1.00 0.00 C ATOM 41 C ARG A 3 4.662 -8.774 3.480 1.00 0.00 C ATOM 42 O ARG A 3 3.801 -9.043 2.651 1.00 0.00 O ATOM 43 CB ARG A 3 6.019 -10.940 3.622 1.00 0.00 C ATOM 44 CG ARG A 3 5.385 -11.388 4.951 1.00 0.00 C ATOM 45 CD ARG A 3 3.894 -11.718 4.812 1.00 0.00 C ATOM 46 NE ARG A 3 3.347 -12.317 6.041 1.00 0.00 N ATOM 47 CZ ARG A 3 3.223 -13.628 6.285 1.00 0.00 C ATOM 48 NH1 ARG A 3 3.824 -14.534 5.519 1.00 0.00 N ATOM 49 NH2 ARG A 3 2.487 -14.024 7.313 1.00 0.00 N ATOM 0 H ARG A 3 7.464 -9.391 4.908 1.00 0.00 H new ATOM 0 HA ARG A 3 6.336 -9.266 2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.478 -11.415 2.804 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.043 -11.311 3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.914 -12.265 5.324 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.511 -10.600 5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 3 3.342 -10.809 4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.751 -12.405 3.978 1.00 0.00 H new ATOM 0 HE ARG A 3 3.035 -11.677 6.771 1.00 0.00 H new ATOM 0 HH11 ARG A 3 4.393 -14.235 4.727 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.716 -15.527 5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.025 -13.334 7.905 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.383 -15.019 7.512 1.00 0.00 H new ATOM 63 N PHE A 4 4.399 -7.948 4.493 1.00 0.00 N ATOM 64 CA PHE A 4 3.100 -7.303 4.584 1.00 0.00 C ATOM 65 C PHE A 4 2.951 -6.284 3.439 1.00 0.00 C ATOM 66 O PHE A 4 1.836 -5.993 3.012 1.00 0.00 O ATOM 67 CB PHE A 4 2.898 -6.688 5.974 1.00 0.00 C ATOM 68 CG PHE A 4 3.371 -5.260 6.147 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.604 -4.210 5.620 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.535 -4.966 6.871 1.00 0.00 C ATOM 71 CE1 PHE A 4 2.970 -2.877 5.842 1.00 0.00 C ATOM 72 CE2 PHE A 4 4.937 -3.632 7.050 1.00 0.00 C ATOM 73 CZ PHE A 4 4.149 -2.587 6.549 1.00 0.00 C ATOM 0 H PHE A 4 5.052 -7.717 5.241 1.00 0.00 H new ATOM 0 HA PHE A 4 2.307 -8.041 4.464 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.836 -6.729 6.216 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.415 -7.311 6.703 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.722 -4.432 5.037 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.124 -5.767 7.292 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.349 -2.075 5.471 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.855 -3.411 7.575 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.447 -1.561 6.706 1.00 0.00 H new ATOM 83 N CYS A 5 4.061 -5.760 2.905 1.00 0.00 N ATOM 84 CA CYS A 5 4.039 -4.786 1.825 1.00 0.00 C ATOM 85 C CYS A 5 3.790 -5.383 0.451 1.00 0.00 C ATOM 86 O CYS A 5 3.555 -4.636 -0.496 1.00 0.00 O ATOM 87 CB CYS A 5 5.362 -4.039 1.821 1.00 0.00 C ATOM 88 SG CYS A 5 5.271 -2.673 2.956 1.00 0.00 S ATOM 0 H CYS A 5 5.001 -6.006 3.217 1.00 0.00 H new ATOM 0 HA CYS A 5 3.198 -4.120 2.017 1.00 0.00 H new ATOM 0 HB2 CYS A 5 6.172 -4.710 2.106 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.586 -3.678 0.817 1.00 0.00 H new ATOM 93 N GLU A 6 3.803 -6.702 0.308 1.00 0.00 N ATOM 94 CA GLU A 6 3.584 -7.325 -1.001 1.00 0.00 C ATOM 95 C GLU A 6 2.175 -7.888 -1.149 1.00 0.00 C ATOM 96 O GLU A 6 1.907 -8.639 -2.092 1.00 0.00 O ATOM 97 CB GLU A 6 4.657 -8.389 -1.239 1.00 0.00 C ATOM 98 CG GLU A 6 4.514 -9.639 -0.363 1.00 0.00 C ATOM 99 CD GLU A 6 5.306 -10.837 -0.862 1.00 0.00 C ATOM 100 OE1 GLU A 6 6.463 -10.655 -1.313 1.00 0.00 O ATOM 101 OE2 GLU A 6 4.811 -11.974 -0.682 1.00 0.00 O ATOM 0 H GLU A 6 3.961 -7.360 1.071 1.00 0.00 H new ATOM 0 HA GLU A 6 3.672 -6.557 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.628 -8.689 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.637 -7.946 -1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.837 -9.399 0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.460 -9.911 -0.306 1.00 0.00 H new ATOM 108 N LEU A 7 1.282 -7.595 -0.204 1.00 0.00 N ATOM 109 CA LEU A 7 -0.068 -8.115 -0.211 1.00 0.00 C ATOM 110 C LEU A 7 -0.934 -7.378 -1.216 1.00 0.00 C ATOM 111 O LEU A 7 -0.571 -6.320 -1.732 1.00 0.00 O ATOM 112 CB LEU A 7 -0.638 -8.075 1.209 1.00 0.00 C ATOM 113 CG LEU A 7 0.248 -8.758 2.267 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.445 -8.687 3.622 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.607 -10.211 1.982 1.00 0.00 C ATOM 0 H LEU A 7 1.485 -6.986 0.589 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.056 -9.156 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.792 -7.035 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.617 -8.554 1.208 1.00 0.00 H new ATOM 0 HG LEU A 7 1.189 -8.209 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.178 -9.169 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.603 -7.644 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.407 -9.197 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.232 -10.596 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.305 -10.805 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.151 -10.273 1.039 1.00 0.00 H new ATOM 127 N ALA A 8 -2.066 -7.984 -1.528 1.00 0.00 N ATOM 128 CA ALA A 8 -3.053 -7.493 -2.470 1.00 0.00 C ATOM 129 C ALA A 8 -4.120 -6.765 -1.659 1.00 0.00 C ATOM 130 O ALA A 8 -4.852 -7.426 -0.919 1.00 0.00 O ATOM 131 CB ALA A 8 -3.632 -8.666 -3.252 1.00 0.00 C ATOM 0 H ALA A 8 -2.334 -8.875 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.619 -6.807 -3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.374 -8.300 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.833 -9.173 -3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.104 -9.366 -2.562 1.00 0.00 H new ATOM 137 N PRO A 9 -4.200 -5.427 -1.727 1.00 0.00 N ATOM 138 CA PRO A 9 -5.170 -4.666 -0.968 1.00 0.00 C ATOM 139 C PRO A 9 -6.580 -4.939 -1.496 1.00 0.00 C ATOM 140 O PRO A 9 -7.023 -4.252 -2.410 1.00 0.00 O ATOM 141 CB PRO A 9 -4.746 -3.207 -1.098 1.00 0.00 C ATOM 142 CG PRO A 9 -4.027 -3.166 -2.442 1.00 0.00 C ATOM 143 CD PRO A 9 -3.399 -4.547 -2.561 1.00 0.00 C ATOM 0 HA PRO A 9 -5.199 -4.945 0.085 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.605 -2.536 -1.081 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.090 -2.905 -0.282 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.720 -2.970 -3.260 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.272 -2.380 -2.468 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.397 -4.886 -3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.361 -4.533 -2.229 1.00 0.00 H new ATOM 151 N SER A 10 -7.285 -5.893 -0.882 1.00 0.00 N ATOM 152 CA SER A 10 -8.636 -6.339 -1.214 1.00 0.00 C ATOM 153 C SER A 10 -9.731 -5.267 -1.028 1.00 0.00 C ATOM 154 O SER A 10 -10.628 -5.394 -0.183 1.00 0.00 O ATOM 155 CB SER A 10 -8.930 -7.638 -0.449 1.00 0.00 C ATOM 156 OG SER A 10 -10.125 -8.209 -0.929 1.00 0.00 O ATOM 0 H SER A 10 -6.900 -6.406 -0.089 1.00 0.00 H new ATOM 0 HA SER A 10 -8.666 -6.534 -2.286 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.105 -8.339 -0.572 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.016 -7.432 0.618 1.00 0.00 H new ATOM 0 HG SER A 10 -10.310 -9.038 -0.441 1.00 0.00 H new ATOM 162 N ALA A 11 -9.685 -4.206 -1.831 1.00 0.00 N ATOM 163 CA ALA A 11 -10.623 -3.094 -1.802 1.00 0.00 C ATOM 164 C ALA A 11 -12.026 -3.500 -2.281 1.00 0.00 C ATOM 165 O ALA A 11 -13.007 -2.860 -1.903 1.00 0.00 O ATOM 166 CB ALA A 11 -10.052 -1.952 -2.653 1.00 0.00 C ATOM 0 H ALA A 11 -8.965 -4.096 -2.545 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.744 -2.763 -0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.743 -1.109 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.092 -1.639 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.915 -2.296 -3.678 1.00 0.00 H new ATOM 172 N GLY A 12 -12.155 -4.579 -3.057 1.00 0.00 N ATOM 173 CA GLY A 12 -13.440 -5.045 -3.574 1.00 0.00 C ATOM 174 C GLY A 12 -14.349 -5.655 -2.505 1.00 0.00 C ATOM 175 O GLY A 12 -15.512 -5.942 -2.793 1.00 0.00 O ATOM 0 H GLY A 12 -11.365 -5.156 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.957 -4.209 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.261 -5.787 -4.352 1.00 0.00 H new ATOM 179 N SER A 13 -13.853 -5.841 -1.277 1.00 0.00 N ATOM 180 CA SER A 13 -14.602 -6.421 -0.172 1.00 0.00 C ATOM 181 C SER A 13 -15.926 -5.681 0.094 1.00 0.00 C ATOM 182 O SER A 13 -16.942 -6.337 0.336 1.00 0.00 O ATOM 183 CB SER A 13 -13.718 -6.453 1.077 1.00 0.00 C ATOM 184 OG SER A 13 -12.530 -7.218 0.881 1.00 0.00 O ATOM 0 H SER A 13 -12.898 -5.585 -1.025 1.00 0.00 H new ATOM 0 HA SER A 13 -14.878 -7.440 -0.445 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.449 -5.434 1.355 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.284 -6.872 1.909 1.00 0.00 H new ATOM 0 HG SER A 13 -11.828 -6.643 0.511 1.00 0.00 H new ATOM 190 N CYS A 14 -15.949 -4.345 0.073 1.00 0.00 N ATOM 191 CA CYS A 14 -17.144 -3.527 0.298 1.00 0.00 C ATOM 192 C CYS A 14 -17.055 -2.282 -0.579 1.00 0.00 C ATOM 193 O CYS A 14 -15.999 -2.017 -1.165 1.00 0.00 O ATOM 194 CB CYS A 14 -17.300 -3.118 1.772 1.00 0.00 C ATOM 195 SG CYS A 14 -17.463 -4.471 2.972 1.00 0.00 S ATOM 0 H CYS A 14 -15.114 -3.788 -0.106 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.020 -4.121 0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -16.437 -2.515 2.052 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.178 -2.478 1.858 1.00 0.00 H new ATOM 200 N PHE A 15 -18.135 -1.500 -0.648 1.00 0.00 N ATOM 201 CA PHE A 15 -18.142 -0.305 -1.466 1.00 0.00 C ATOM 202 C PHE A 15 -17.631 0.859 -0.633 1.00 0.00 C ATOM 203 O PHE A 15 -18.326 1.328 0.270 1.00 0.00 O ATOM 204 CB PHE A 15 -19.556 -0.003 -1.975 1.00 0.00 C ATOM 205 CG PHE A 15 -19.572 1.052 -3.062 1.00 0.00 C ATOM 206 CD1 PHE A 15 -19.352 2.411 -2.756 1.00 0.00 C ATOM 207 CD2 PHE A 15 -19.763 0.661 -4.398 1.00 0.00 C ATOM 208 CE1 PHE A 15 -19.301 3.365 -3.785 1.00 0.00 C ATOM 209 CE2 PHE A 15 -19.757 1.623 -5.419 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.523 2.973 -5.113 1.00 0.00 C ATOM 0 H PHE A 15 -19.006 -1.679 -0.148 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.497 -0.458 -2.332 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -20.004 -0.920 -2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -20.175 0.330 -1.142 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -19.223 2.718 -1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -19.915 -0.381 -4.639 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -19.091 4.399 -3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.933 1.325 -6.442 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.514 3.711 -5.902 1.00 0.00 H new ATOM 220 N ALA A 16 -16.407 1.309 -0.902 1.00 0.00 N ATOM 221 CA ALA A 16 -15.841 2.440 -0.199 1.00 0.00 C ATOM 222 C ALA A 16 -14.874 3.205 -1.093 1.00 0.00 C ATOM 223 O ALA A 16 -14.371 2.674 -2.089 1.00 0.00 O ATOM 224 CB ALA A 16 -15.204 1.986 1.113 1.00 0.00 C ATOM 0 H ALA A 16 -15.792 0.900 -1.606 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.639 3.136 0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.783 2.848 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.961 1.519 1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.413 1.266 0.903 1.00 0.00 H new ATOM 230 N PHE A 17 -14.633 4.465 -0.728 1.00 0.00 N ATOM 231 CA PHE A 17 -13.727 5.340 -1.446 1.00 0.00 C ATOM 232 C PHE A 17 -12.798 6.024 -0.453 1.00 0.00 C ATOM 233 O PHE A 17 -13.194 6.981 0.216 1.00 0.00 O ATOM 234 CB PHE A 17 -14.505 6.340 -2.316 1.00 0.00 C ATOM 235 CG PHE A 17 -13.800 6.762 -3.596 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.393 6.816 -3.682 1.00 0.00 C ATOM 237 CD2 PHE A 17 -14.571 7.071 -4.733 1.00 0.00 C ATOM 238 CE1 PHE A 17 -11.771 7.121 -4.900 1.00 0.00 C ATOM 239 CE2 PHE A 17 -13.943 7.387 -5.949 1.00 0.00 C ATOM 240 CZ PHE A 17 -12.543 7.387 -6.037 1.00 0.00 C ATOM 0 H PHE A 17 -15.069 4.904 0.083 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.113 4.755 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.467 5.900 -2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -14.712 7.230 -1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.793 6.621 -2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.649 7.065 -4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.693 7.151 -4.962 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.538 7.630 -6.817 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.061 7.592 -6.981 1.00 0.00 H new ATOM 250 N VAL A 18 -11.599 5.487 -0.277 1.00 0.00 N ATOM 251 CA VAL A 18 -10.555 6.012 0.589 1.00 0.00 C ATOM 252 C VAL A 18 -9.240 5.864 -0.189 1.00 0.00 C ATOM 253 O VAL A 18 -8.685 4.766 -0.211 1.00 0.00 O ATOM 254 CB VAL A 18 -10.565 5.383 2.002 1.00 0.00 C ATOM 255 CG1 VAL A 18 -11.626 6.068 2.872 1.00 0.00 C ATOM 256 CG2 VAL A 18 -10.830 3.872 2.047 1.00 0.00 C ATOM 0 H VAL A 18 -11.315 4.633 -0.757 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.716 7.065 0.819 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.553 5.538 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.627 5.619 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.399 7.131 2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.608 5.941 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.816 3.531 3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.805 3.660 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.057 3.350 1.483 1.00 0.00 H new ATOM 266 N PRO A 19 -8.724 6.899 -0.871 1.00 0.00 N ATOM 267 CA PRO A 19 -7.481 6.778 -1.620 1.00 0.00 C ATOM 268 C PRO A 19 -6.330 6.587 -0.636 1.00 0.00 C ATOM 269 O PRO A 19 -6.142 7.422 0.259 1.00 0.00 O ATOM 270 CB PRO A 19 -7.353 8.071 -2.429 1.00 0.00 C ATOM 271 CG PRO A 19 -8.124 9.091 -1.594 1.00 0.00 C ATOM 272 CD PRO A 19 -9.240 8.254 -0.966 1.00 0.00 C ATOM 0 HA PRO A 19 -7.464 5.921 -2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.311 8.363 -2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.779 7.964 -3.427 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.491 9.552 -0.836 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.523 9.897 -2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.509 8.638 0.018 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.142 8.285 -1.578 1.00 0.00 H new ATOM 280 N SER A 20 -5.575 5.501 -0.785 1.00 0.00 N ATOM 281 CA SER A 20 -4.425 5.141 0.043 1.00 0.00 C ATOM 282 C SER A 20 -3.163 4.868 -0.809 1.00 0.00 C ATOM 283 O SER A 20 -3.168 5.087 -2.018 1.00 0.00 O ATOM 284 CB SER A 20 -4.830 4.037 1.024 1.00 0.00 C ATOM 285 OG SER A 20 -5.928 4.418 1.841 1.00 0.00 O ATOM 0 H SER A 20 -5.756 4.817 -1.519 1.00 0.00 H new ATOM 0 HA SER A 20 -4.120 5.985 0.661 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.089 3.137 0.467 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.979 3.786 1.657 1.00 0.00 H new ATOM 0 HG SER A 20 -5.609 4.984 2.575 1.00 0.00 H new ATOM 291 N TYR A 21 -2.043 4.439 -0.217 1.00 0.00 N ATOM 292 CA TYR A 21 -0.768 4.186 -0.907 1.00 0.00 C ATOM 293 C TYR A 21 -0.405 2.711 -0.967 1.00 0.00 C ATOM 294 O TYR A 21 -0.518 2.020 0.042 1.00 0.00 O ATOM 295 CB TYR A 21 0.357 4.929 -0.180 1.00 0.00 C ATOM 296 CG TYR A 21 0.646 6.318 -0.697 1.00 0.00 C ATOM 297 CD1 TYR A 21 1.494 6.528 -1.804 1.00 0.00 C ATOM 298 CD2 TYR A 21 0.064 7.414 -0.042 1.00 0.00 C ATOM 299 CE1 TYR A 21 1.712 7.833 -2.280 1.00 0.00 C ATOM 300 CE2 TYR A 21 0.305 8.717 -0.495 1.00 0.00 C ATOM 301 CZ TYR A 21 1.122 8.935 -1.622 1.00 0.00 C ATOM 302 OH TYR A 21 1.333 10.207 -2.043 1.00 0.00 O ATOM 0 H TYR A 21 -1.995 4.252 0.785 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.889 4.541 -1.931 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.102 4.998 0.878 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.268 4.335 -0.250 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.975 5.689 -2.285 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.573 7.252 0.815 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.332 7.993 -3.150 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.136 9.557 0.021 1.00 0.00 H new ATOM 0 HH TYR A 21 0.843 10.828 -1.465 1.00 0.00 H new ATOM 312 N TYR A 22 0.025 2.272 -2.149 1.00 0.00 N ATOM 313 CA TYR A 22 0.451 0.937 -2.521 1.00 0.00 C ATOM 314 C TYR A 22 1.980 0.921 -2.510 1.00 0.00 C ATOM 315 O TYR A 22 2.599 1.975 -2.691 1.00 0.00 O ATOM 316 CB TYR A 22 -0.034 0.685 -3.968 1.00 0.00 C ATOM 317 CG TYR A 22 -0.119 -0.764 -4.394 1.00 0.00 C ATOM 318 CD1 TYR A 22 0.995 -1.415 -4.951 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.348 -1.440 -4.313 1.00 0.00 C ATOM 320 CE1 TYR A 22 0.899 -2.748 -5.386 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.455 -2.767 -4.767 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.327 -3.439 -5.288 1.00 0.00 C ATOM 323 OH TYR A 22 -0.420 -4.723 -5.721 1.00 0.00 O ATOM 0 H TYR A 22 0.087 2.910 -2.942 1.00 0.00 H new ATOM 0 HA TYR A 22 0.054 0.182 -1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.020 1.136 -4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.637 1.206 -4.651 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.932 -0.887 -5.046 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.212 -0.940 -3.901 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.766 -3.245 -5.796 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.406 -3.276 -4.717 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.333 -5.050 -5.580 1.00 0.00 H new ATOM 333 N TYR A 23 2.578 -0.257 -2.351 1.00 0.00 N ATOM 334 CA TYR A 23 4.029 -0.453 -2.352 1.00 0.00 C ATOM 335 C TYR A 23 4.354 -1.279 -3.588 1.00 0.00 C ATOM 336 O TYR A 23 3.709 -2.307 -3.805 1.00 0.00 O ATOM 337 CB TYR A 23 4.498 -1.156 -1.080 1.00 0.00 C ATOM 338 CG TYR A 23 5.948 -1.609 -1.173 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.996 -0.681 -1.036 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.255 -2.951 -1.470 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.333 -1.097 -1.167 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.590 -3.379 -1.545 1.00 0.00 C ATOM 343 CZ TYR A 23 8.639 -2.449 -1.416 1.00 0.00 C ATOM 344 OH TYR A 23 9.933 -2.855 -1.516 1.00 0.00 O ATOM 0 H TYR A 23 2.057 -1.123 -2.215 1.00 0.00 H new ATOM 0 HA TYR A 23 4.548 0.505 -2.376 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.384 -0.482 -0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.861 -2.020 -0.889 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.773 0.355 -0.829 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.456 -3.657 -1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.131 -0.375 -1.076 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.813 -4.424 -1.702 1.00 0.00 H new ATOM 0 HH TYR A 23 10.457 -2.461 -0.787 1.00 0.00 H new ATOM 354 N ASN A 24 5.336 -0.867 -4.388 1.00 0.00 N ATOM 355 CA ASN A 24 5.726 -1.547 -5.613 1.00 0.00 C ATOM 356 C ASN A 24 7.190 -1.975 -5.554 1.00 0.00 C ATOM 357 O ASN A 24 8.064 -1.254 -6.041 1.00 0.00 O ATOM 358 CB ASN A 24 5.458 -0.646 -6.837 1.00 0.00 C ATOM 359 CG ASN A 24 3.974 -0.353 -7.061 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.422 0.626 -6.558 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.273 -1.181 -7.813 1.00 0.00 N ATOM 0 H ASN A 24 5.892 -0.034 -4.195 1.00 0.00 H new ATOM 0 HA ASN A 24 5.121 -2.448 -5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.992 0.296 -6.710 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.865 -1.125 -7.728 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.281 -1.008 -7.974 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.724 -1.994 -8.233 1.00 0.00 H new ATOM 368 N GLN A 25 7.468 -3.171 -5.013 1.00 0.00 N ATOM 369 CA GLN A 25 8.820 -3.738 -4.919 1.00 0.00 C ATOM 370 C GLN A 25 9.503 -3.725 -6.287 1.00 0.00 C ATOM 371 O GLN A 25 10.694 -3.435 -6.352 1.00 0.00 O ATOM 372 CB GLN A 25 8.856 -5.187 -4.383 1.00 0.00 C ATOM 373 CG GLN A 25 7.691 -6.128 -4.721 1.00 0.00 C ATOM 374 CD GLN A 25 6.532 -5.952 -3.751 1.00 0.00 C ATOM 375 OE1 GLN A 25 5.456 -5.309 -4.170 1.00 0.00 O flip ATOM 376 NE2 GLN A 25 6.607 -6.353 -2.595 1.00 0.00 N flip ATOM 0 H GLN A 25 6.748 -3.780 -4.623 1.00 0.00 H new ATOM 0 HA GLN A 25 9.346 -3.104 -4.205 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.772 -5.651 -4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.935 -5.136 -3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.349 -5.934 -5.738 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.037 -7.161 -4.693 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.441 -6.848 -2.280 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.835 -6.191 -1.948 1.00 0.00 H new ATOM 385 N TYR A 26 8.745 -3.995 -7.358 1.00 0.00 N ATOM 386 CA TYR A 26 9.228 -4.030 -8.732 1.00 0.00 C ATOM 387 C TYR A 26 9.972 -2.755 -9.126 1.00 0.00 C ATOM 388 O TYR A 26 10.894 -2.828 -9.938 1.00 0.00 O ATOM 389 CB TYR A 26 8.056 -4.244 -9.697 1.00 0.00 C ATOM 390 CG TYR A 26 7.374 -5.598 -9.632 1.00 0.00 C ATOM 391 CD1 TYR A 26 6.310 -5.824 -8.739 1.00 0.00 C ATOM 392 CD2 TYR A 26 7.761 -6.617 -10.520 1.00 0.00 C ATOM 393 CE1 TYR A 26 5.620 -7.050 -8.750 1.00 0.00 C ATOM 394 CE2 TYR A 26 7.078 -7.844 -10.539 1.00 0.00 C ATOM 395 CZ TYR A 26 5.989 -8.059 -9.668 1.00 0.00 C ATOM 396 OH TYR A 26 5.287 -9.220 -9.715 1.00 0.00 O ATOM 0 H TYR A 26 7.749 -4.201 -7.283 1.00 0.00 H new ATOM 0 HA TYR A 26 9.931 -4.860 -8.796 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.309 -3.474 -9.505 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.417 -4.091 -10.714 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.021 -5.052 -8.041 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.590 -6.455 -11.193 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.809 -7.220 -8.057 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.386 -8.623 -11.220 1.00 0.00 H new ATOM 0 HH TYR A 26 5.670 -9.806 -10.401 1.00 0.00 H new ATOM 406 N SER A 27 9.587 -1.608 -8.561 1.00 0.00 N ATOM 407 CA SER A 27 10.204 -0.318 -8.844 1.00 0.00 C ATOM 408 C SER A 27 10.819 0.316 -7.588 1.00 0.00 C ATOM 409 O SER A 27 11.177 1.493 -7.612 1.00 0.00 O ATOM 410 CB SER A 27 9.178 0.563 -9.576 1.00 0.00 C ATOM 411 OG SER A 27 9.812 1.583 -10.319 1.00 0.00 O ATOM 0 H SER A 27 8.826 -1.553 -7.884 1.00 0.00 H new ATOM 0 HA SER A 27 11.059 -0.443 -9.508 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.576 -0.054 -10.243 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.496 1.009 -8.852 1.00 0.00 H new ATOM 0 HG SER A 27 10.507 2.004 -9.770 1.00 0.00 H new ATOM 417 N ASN A 28 10.963 -0.438 -6.489 1.00 0.00 N ATOM 418 CA ASN A 28 11.518 0.006 -5.213 1.00 0.00 C ATOM 419 C ASN A 28 10.933 1.360 -4.800 1.00 0.00 C ATOM 420 O ASN A 28 11.651 2.288 -4.430 1.00 0.00 O ATOM 421 CB ASN A 28 13.055 0.015 -5.312 1.00 0.00 C ATOM 422 CG ASN A 28 13.781 0.374 -4.018 1.00 0.00 C ATOM 423 OD1 ASN A 28 14.562 1.319 -3.968 1.00 0.00 O ATOM 424 ND2 ASN A 28 13.600 -0.383 -2.948 1.00 0.00 N ATOM 0 H ASN A 28 10.681 -1.418 -6.470 1.00 0.00 H new ATOM 0 HA ASN A 28 11.238 -0.688 -4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.389 -0.970 -5.638 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.350 0.724 -6.086 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.108 -0.180 -2.087 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.952 -1.170 -2.984 1.00 0.00 H new ATOM 431 N THR A 29 9.615 1.507 -4.915 1.00 0.00 N ATOM 432 CA THR A 29 8.937 2.736 -4.550 1.00 0.00 C ATOM 433 C THR A 29 7.496 2.410 -4.158 1.00 0.00 C ATOM 434 O THR A 29 7.159 1.252 -3.895 1.00 0.00 O ATOM 435 CB THR A 29 9.132 3.800 -5.653 1.00 0.00 C ATOM 436 OG1 THR A 29 8.867 5.085 -5.124 1.00 0.00 O ATOM 437 CG2 THR A 29 8.289 3.587 -6.914 1.00 0.00 C ATOM 0 H THR A 29 8.994 0.777 -5.263 1.00 0.00 H new ATOM 0 HA THR A 29 9.372 3.200 -3.665 1.00 0.00 H new ATOM 0 HB THR A 29 10.170 3.703 -5.971 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.993 5.759 -5.824 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.495 4.384 -7.629 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.539 2.625 -7.361 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.231 3.601 -6.651 1.00 0.00 H new ATOM 445 N CYS A 30 6.668 3.441 -4.042 1.00 0.00 N ATOM 446 CA CYS A 30 5.270 3.372 -3.676 1.00 0.00 C ATOM 447 C CYS A 30 4.481 4.237 -4.637 1.00 0.00 C ATOM 448 O CYS A 30 5.053 5.114 -5.289 1.00 0.00 O ATOM 449 CB CYS A 30 5.118 3.952 -2.277 1.00 0.00 C ATOM 450 SG CYS A 30 6.133 3.154 -1.021 1.00 0.00 S ATOM 0 H CYS A 30 6.977 4.398 -4.212 1.00 0.00 H new ATOM 0 HA CYS A 30 4.914 2.342 -3.709 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.368 5.012 -2.308 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.072 3.880 -1.980 1.00 0.00 H new ATOM 455 N HIS A 31 3.166 4.052 -4.682 1.00 0.00 N ATOM 456 CA HIS A 31 2.319 4.827 -5.564 1.00 0.00 C ATOM 457 C HIS A 31 0.906 4.896 -5.005 1.00 0.00 C ATOM 458 O HIS A 31 0.405 3.912 -4.455 1.00 0.00 O ATOM 459 CB HIS A 31 2.337 4.163 -6.948 1.00 0.00 C ATOM 460 CG HIS A 31 1.990 5.106 -8.064 1.00 0.00 C ATOM 461 ND1 HIS A 31 1.139 4.856 -9.116 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.571 6.324 -8.271 1.00 0.00 C ATOM 463 CE1 HIS A 31 1.220 5.894 -9.964 1.00 0.00 C ATOM 464 NE2 HIS A 31 2.053 6.827 -9.469 1.00 0.00 N ATOM 0 H HIS A 31 2.668 3.368 -4.113 1.00 0.00 H new ATOM 0 HA HIS A 31 2.687 5.850 -5.647 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.327 3.745 -7.130 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.633 3.331 -6.953 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.294 6.808 -7.631 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.694 5.969 -10.904 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.267 7.732 -9.889 1.00 0.00 H new ATOM 472 N SER A 32 0.248 6.048 -5.134 1.00 0.00 N ATOM 473 CA SER A 32 -1.116 6.181 -4.638 1.00 0.00 C ATOM 474 C SER A 32 -2.063 5.263 -5.430 1.00 0.00 C ATOM 475 O SER A 32 -1.930 5.145 -6.650 1.00 0.00 O ATOM 476 CB SER A 32 -1.548 7.652 -4.643 1.00 0.00 C ATOM 477 OG SER A 32 -1.745 8.219 -5.932 1.00 0.00 O ATOM 0 H SER A 32 0.631 6.887 -5.570 1.00 0.00 H new ATOM 0 HA SER A 32 -1.163 5.853 -3.600 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.475 7.744 -4.077 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.794 8.238 -4.117 1.00 0.00 H new ATOM 0 HG SER A 32 -2.019 9.155 -5.839 1.00 0.00 H new ATOM 483 N PHE A 33 -2.988 4.590 -4.744 1.00 0.00 N ATOM 484 CA PHE A 33 -4.002 3.680 -5.287 1.00 0.00 C ATOM 485 C PHE A 33 -5.339 3.926 -4.566 1.00 0.00 C ATOM 486 O PHE A 33 -5.447 4.856 -3.762 1.00 0.00 O ATOM 487 CB PHE A 33 -3.550 2.210 -5.271 1.00 0.00 C ATOM 488 CG PHE A 33 -3.789 1.472 -3.969 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.041 1.808 -2.832 1.00 0.00 C ATOM 490 CD2 PHE A 33 -4.795 0.494 -3.867 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.258 1.147 -1.613 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.059 -0.117 -2.631 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.277 0.198 -1.506 1.00 0.00 C ATOM 0 H PHE A 33 -3.055 4.670 -3.729 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.147 3.899 -6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.067 1.679 -6.070 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.485 2.172 -5.501 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.291 2.583 -2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.365 0.213 -4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.637 1.372 -0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.865 -0.831 -2.544 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.464 -0.292 -0.562 1.00 0.00 H new ATOM 503 N THR A 34 -6.390 3.176 -4.879 1.00 0.00 N ATOM 504 CA THR A 34 -7.727 3.312 -4.273 1.00 0.00 C ATOM 505 C THR A 34 -8.006 2.169 -3.273 1.00 0.00 C ATOM 506 O THR A 34 -7.862 1.002 -3.642 1.00 0.00 O ATOM 507 CB THR A 34 -8.772 3.415 -5.403 1.00 0.00 C ATOM 508 OG1 THR A 34 -8.476 2.546 -6.484 1.00 0.00 O ATOM 509 CG2 THR A 34 -8.827 4.837 -5.965 1.00 0.00 C ATOM 0 H THR A 34 -6.344 2.435 -5.578 1.00 0.00 H new ATOM 0 HA THR A 34 -7.785 4.226 -3.681 1.00 0.00 H new ATOM 0 HB THR A 34 -9.726 3.134 -4.957 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.162 2.641 -7.177 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.571 4.885 -6.760 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.100 5.532 -5.171 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.850 5.108 -6.365 1.00 0.00 H new ATOM 517 N TYR A 35 -8.372 2.469 -2.014 1.00 0.00 N ATOM 518 CA TYR A 35 -8.654 1.481 -0.964 1.00 0.00 C ATOM 519 C TYR A 35 -10.119 1.549 -0.503 1.00 0.00 C ATOM 520 O TYR A 35 -10.880 2.391 -0.985 1.00 0.00 O ATOM 521 CB TYR A 35 -7.696 1.665 0.223 1.00 0.00 C ATOM 522 CG TYR A 35 -7.566 0.511 1.195 1.00 0.00 C ATOM 523 CD1 TYR A 35 -6.933 -0.675 0.784 1.00 0.00 C ATOM 524 CD2 TYR A 35 -7.927 0.677 2.544 1.00 0.00 C ATOM 525 CE1 TYR A 35 -6.571 -1.645 1.732 1.00 0.00 C ATOM 526 CE2 TYR A 35 -7.600 -0.305 3.495 1.00 0.00 C ATOM 527 CZ TYR A 35 -6.882 -1.452 3.095 1.00 0.00 C ATOM 528 OH TYR A 35 -6.474 -2.376 4.002 1.00 0.00 O ATOM 0 H TYR A 35 -8.482 3.431 -1.693 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.491 0.490 -1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.705 1.885 -0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.017 2.543 0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.725 -0.840 -0.263 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.459 1.565 2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.054 -2.540 1.418 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.897 -0.182 4.526 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.644 -2.795 3.692 1.00 0.00 H new ATOM 538 N SER A 36 -10.508 0.695 0.447 1.00 0.00 N ATOM 539 CA SER A 36 -11.850 0.617 1.014 1.00 0.00 C ATOM 540 C SER A 36 -11.763 0.491 2.535 1.00 0.00 C ATOM 541 O SER A 36 -10.774 -0.029 3.048 1.00 0.00 O ATOM 542 CB SER A 36 -12.561 -0.606 0.424 1.00 0.00 C ATOM 543 OG SER A 36 -12.757 -0.410 -0.960 1.00 0.00 O ATOM 0 H SER A 36 -9.869 0.013 0.856 1.00 0.00 H new ATOM 0 HA SER A 36 -12.410 1.520 0.772 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.967 -1.504 0.595 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.519 -0.758 0.921 1.00 0.00 H new ATOM 0 HG SER A 36 -12.575 -1.246 -1.438 1.00 0.00 H new ATOM 549 N GLY A 37 -12.794 0.938 3.259 1.00 0.00 N ATOM 550 CA GLY A 37 -12.846 0.867 4.713 1.00 0.00 C ATOM 551 C GLY A 37 -12.805 -0.595 5.141 1.00 0.00 C ATOM 552 O GLY A 37 -11.925 -0.992 5.910 1.00 0.00 O ATOM 0 H GLY A 37 -13.622 1.363 2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.006 1.410 5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.756 1.341 5.081 1.00 0.00 H new ATOM 556 N CYS A 38 -13.770 -1.382 4.666 1.00 0.00 N ATOM 557 CA CYS A 38 -13.853 -2.805 4.958 1.00 0.00 C ATOM 558 C CYS A 38 -12.882 -3.547 4.040 1.00 0.00 C ATOM 559 O CYS A 38 -12.607 -3.111 2.916 1.00 0.00 O ATOM 560 CB CYS A 38 -15.300 -3.304 4.756 1.00 0.00 C ATOM 561 SG CYS A 38 -15.564 -4.713 3.632 1.00 0.00 S ATOM 0 H CYS A 38 -14.520 -1.043 4.063 1.00 0.00 H new ATOM 0 HA CYS A 38 -13.580 -2.994 5.996 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -15.700 -3.576 5.733 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -15.895 -2.467 4.389 1.00 0.00 H new ATOM 566 N GLY A 39 -12.436 -4.721 4.486 1.00 0.00 N ATOM 567 CA GLY A 39 -11.535 -5.542 3.709 1.00 0.00 C ATOM 568 C GLY A 39 -10.144 -4.959 3.628 1.00 0.00 C ATOM 569 O GLY A 39 -9.620 -4.430 4.609 1.00 0.00 O ATOM 0 H GLY A 39 -12.692 -5.119 5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.483 -6.537 4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.935 -5.661 2.702 1.00 0.00 H new ATOM 573 N GLY A 40 -9.520 -5.134 2.466 1.00 0.00 N ATOM 574 CA GLY A 40 -8.178 -4.660 2.210 1.00 0.00 C ATOM 575 C GLY A 40 -7.140 -5.557 2.886 1.00 0.00 C ATOM 576 O GLY A 40 -7.489 -6.499 3.606 1.00 0.00 O ATOM 0 H GLY A 40 -9.943 -5.615 1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.997 -4.634 1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.074 -3.638 2.575 1.00 0.00 H new ATOM 580 N ASN A 41 -5.863 -5.345 2.571 1.00 0.00 N ATOM 581 CA ASN A 41 -4.718 -6.068 3.135 1.00 0.00 C ATOM 582 C ASN A 41 -3.681 -5.030 3.565 1.00 0.00 C ATOM 583 O ASN A 41 -3.713 -3.873 3.132 1.00 0.00 O ATOM 584 CB ASN A 41 -4.094 -7.113 2.192 1.00 0.00 C ATOM 585 CG ASN A 41 -4.743 -8.492 2.145 1.00 0.00 C ATOM 586 OD1 ASN A 41 -4.095 -9.455 1.745 1.00 0.00 O ATOM 587 ND2 ASN A 41 -5.991 -8.661 2.551 1.00 0.00 N ATOM 0 H ASN A 41 -5.584 -4.638 1.890 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.077 -6.652 3.983 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.102 -6.703 1.182 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.050 -7.242 2.476 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.412 -9.590 2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.532 -7.863 2.884 1.00 0.00 H new ATOM 594 N ALA A 42 -2.708 -5.482 4.355 1.00 0.00 N ATOM 595 CA ALA A 42 -1.659 -4.663 4.934 1.00 0.00 C ATOM 596 C ALA A 42 -0.766 -3.839 4.006 1.00 0.00 C ATOM 597 O ALA A 42 -0.154 -2.913 4.536 1.00 0.00 O ATOM 598 CB ALA A 42 -0.805 -5.530 5.856 1.00 0.00 C ATOM 0 H ALA A 42 -2.631 -6.465 4.615 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.211 -3.885 5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.014 -4.923 6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.429 -5.943 6.649 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.362 -6.344 5.282 1.00 0.00 H new ATOM 604 N ASN A 43 -0.646 -4.091 2.690 1.00 0.00 N ATOM 605 CA ASN A 43 0.254 -3.236 1.887 1.00 0.00 C ATOM 606 C ASN A 43 -0.211 -1.779 1.782 1.00 0.00 C ATOM 607 O ASN A 43 0.508 -0.961 1.212 1.00 0.00 O ATOM 608 CB ASN A 43 0.547 -3.785 0.474 1.00 0.00 C ATOM 609 CG ASN A 43 -0.324 -3.205 -0.645 1.00 0.00 C ATOM 610 OD1 ASN A 43 -1.485 -2.863 -0.456 1.00 0.00 O ATOM 611 ND2 ASN A 43 0.171 -3.132 -1.864 1.00 0.00 N ATOM 0 H ASN A 43 -1.128 -4.833 2.181 1.00 0.00 H new ATOM 0 HA ASN A 43 1.184 -3.257 2.454 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.593 -3.591 0.236 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.419 -4.867 0.488 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.411 -2.795 -2.631 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.136 -3.412 -2.040 1.00 0.00 H new ATOM 618 N ARG A 44 -1.419 -1.470 2.255 1.00 0.00 N ATOM 619 CA ARG A 44 -1.991 -0.145 2.218 1.00 0.00 C ATOM 620 C ARG A 44 -1.362 0.764 3.268 1.00 0.00 C ATOM 621 O ARG A 44 -1.337 0.416 4.449 1.00 0.00 O ATOM 622 CB ARG A 44 -3.496 -0.309 2.443 1.00 0.00 C ATOM 623 CG ARG A 44 -4.227 1.034 2.511 1.00 0.00 C ATOM 624 CD ARG A 44 -4.575 1.446 3.945 1.00 0.00 C ATOM 625 NE ARG A 44 -5.570 2.527 3.943 1.00 0.00 N ATOM 626 CZ ARG A 44 -6.503 2.751 4.871 1.00 0.00 C ATOM 627 NH1 ARG A 44 -6.442 2.146 6.051 1.00 0.00 N ATOM 628 NH2 ARG A 44 -7.503 3.578 4.577 1.00 0.00 N ATOM 0 H ARG A 44 -2.035 -2.161 2.684 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.796 0.333 1.258 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.918 -0.908 1.636 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.664 -0.858 3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.605 1.805 2.057 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.142 0.975 1.922 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.964 0.587 4.492 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.674 1.774 4.464 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.545 3.171 3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.677 1.503 6.256 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.160 2.324 6.753 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.544 4.024 3.660 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.229 3.766 5.268 1.00 0.00 H new ATOM 642 N PHE A 45 -0.991 1.974 2.850 1.00 0.00 N ATOM 643 CA PHE A 45 -0.395 3.023 3.669 1.00 0.00 C ATOM 644 C PHE A 45 -1.186 4.321 3.534 1.00 0.00 C ATOM 645 O PHE A 45 -2.021 4.459 2.643 1.00 0.00 O ATOM 646 CB PHE A 45 1.052 3.277 3.234 1.00 0.00 C ATOM 647 CG PHE A 45 1.967 2.143 3.586 1.00 0.00 C ATOM 648 CD1 PHE A 45 2.540 2.090 4.865 1.00 0.00 C ATOM 649 CD2 PHE A 45 2.195 1.116 2.660 1.00 0.00 C ATOM 650 CE1 PHE A 45 3.322 0.994 5.233 1.00 0.00 C ATOM 651 CE2 PHE A 45 2.991 0.023 3.022 1.00 0.00 C ATOM 652 CZ PHE A 45 3.574 -0.021 4.299 1.00 0.00 C ATOM 0 H PHE A 45 -1.105 2.262 1.878 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.414 2.693 4.708 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.080 3.441 2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.414 4.191 3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.376 2.896 5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.759 1.168 1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.730 0.928 6.231 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.156 -0.783 2.322 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.222 -0.844 4.564 1.00 0.00 H new ATOM 662 N ARG A 46 -0.908 5.291 4.404 1.00 0.00 N ATOM 663 CA ARG A 46 -1.536 6.618 4.430 1.00 0.00 C ATOM 664 C ARG A 46 -0.608 7.655 3.812 1.00 0.00 C ATOM 665 O ARG A 46 -1.023 8.781 3.553 1.00 0.00 O ATOM 666 CB ARG A 46 -2.034 7.037 5.830 1.00 0.00 C ATOM 667 CG ARG A 46 -1.207 6.607 7.051 1.00 0.00 C ATOM 668 CD ARG A 46 0.309 6.834 6.984 1.00 0.00 C ATOM 669 NE ARG A 46 0.678 8.257 7.006 1.00 0.00 N ATOM 670 CZ ARG A 46 1.255 8.894 8.036 1.00 0.00 C ATOM 671 NH1 ARG A 46 1.479 8.274 9.189 1.00 0.00 N ATOM 672 NH2 ARG A 46 1.627 10.161 7.900 1.00 0.00 N ATOM 0 H ARG A 46 -0.212 5.173 5.140 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.437 6.557 3.820 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.110 8.124 5.845 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.043 6.645 5.956 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.590 7.137 7.923 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.383 5.545 7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.784 6.328 7.824 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.699 6.377 6.075 1.00 0.00 H new ATOM 0 HE ARG A 46 0.479 8.805 6.169 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.211 7.296 9.303 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.919 8.775 9.961 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.474 10.645 7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.066 10.650 8.680 1.00 0.00 H new ATOM 686 N THR A 47 0.663 7.316 3.609 1.00 0.00 N ATOM 687 CA THR A 47 1.617 8.203 2.989 1.00 0.00 C ATOM 688 C THR A 47 2.769 7.407 2.391 1.00 0.00 C ATOM 689 O THR A 47 3.068 6.297 2.848 1.00 0.00 O ATOM 690 CB THR A 47 2.087 9.274 3.982 1.00 0.00 C ATOM 691 OG1 THR A 47 2.719 10.323 3.290 1.00 0.00 O ATOM 692 CG2 THR A 47 3.063 8.684 5.002 1.00 0.00 C ATOM 0 H THR A 47 1.052 6.411 3.875 1.00 0.00 H new ATOM 0 HA THR A 47 1.134 8.731 2.167 1.00 0.00 H new ATOM 0 HB THR A 47 1.212 9.652 4.511 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.015 11.005 3.929 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.381 9.464 5.694 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.571 7.885 5.556 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.933 8.283 4.483 1.00 0.00 H new ATOM 700 N ILE A 48 3.420 7.989 1.383 1.00 0.00 N ATOM 701 CA ILE A 48 4.566 7.369 0.745 1.00 0.00 C ATOM 702 C ILE A 48 5.743 7.394 1.725 1.00 0.00 C ATOM 703 O ILE A 48 6.619 6.549 1.627 1.00 0.00 O ATOM 704 CB ILE A 48 4.903 8.035 -0.606 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.187 7.402 -1.182 1.00 0.00 C ATOM 706 CG2 ILE A 48 5.005 9.571 -0.526 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.372 7.643 -2.683 1.00 0.00 C ATOM 0 H ILE A 48 3.165 8.896 0.993 1.00 0.00 H new ATOM 0 HA ILE A 48 4.333 6.332 0.503 1.00 0.00 H new ATOM 0 HB ILE A 48 4.071 7.846 -1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.050 7.803 -0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.168 6.328 -0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.244 9.972 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.053 9.982 -0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.790 9.847 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.295 7.169 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.529 7.217 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.424 8.715 -2.876 1.00 0.00 H new ATOM 719 N ASP A 49 5.776 8.324 2.679 1.00 0.00 N ATOM 720 CA ASP A 49 6.848 8.427 3.665 1.00 0.00 C ATOM 721 C ASP A 49 6.907 7.184 4.555 1.00 0.00 C ATOM 722 O ASP A 49 7.984 6.728 4.915 1.00 0.00 O ATOM 723 CB ASP A 49 6.680 9.696 4.500 1.00 0.00 C ATOM 724 CG ASP A 49 7.704 9.748 5.631 1.00 0.00 C ATOM 725 OD1 ASP A 49 8.920 9.703 5.351 1.00 0.00 O ATOM 726 OD2 ASP A 49 7.277 9.889 6.806 1.00 0.00 O ATOM 0 H ASP A 49 5.051 9.033 2.789 1.00 0.00 H new ATOM 0 HA ASP A 49 7.797 8.489 3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.793 10.573 3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.673 9.732 4.915 1.00 0.00 H new ATOM 731 N GLU A 50 5.751 6.620 4.913 1.00 0.00 N ATOM 732 CA GLU A 50 5.644 5.441 5.747 1.00 0.00 C ATOM 733 C GLU A 50 5.959 4.247 4.872 1.00 0.00 C ATOM 734 O GLU A 50 6.757 3.389 5.249 1.00 0.00 O ATOM 735 CB GLU A 50 4.215 5.323 6.290 1.00 0.00 C ATOM 736 CG GLU A 50 3.979 6.256 7.481 1.00 0.00 C ATOM 737 CD GLU A 50 4.411 5.596 8.783 1.00 0.00 C ATOM 738 OE1 GLU A 50 5.629 5.479 9.035 1.00 0.00 O ATOM 739 OE2 GLU A 50 3.520 5.142 9.539 1.00 0.00 O ATOM 0 H GLU A 50 4.846 6.987 4.619 1.00 0.00 H new ATOM 0 HA GLU A 50 6.331 5.496 6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.505 5.559 5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.025 4.293 6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.534 7.183 7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.923 6.522 7.536 1.00 0.00 H new ATOM 746 N CYS A 51 5.328 4.223 3.695 1.00 0.00 N ATOM 747 CA CYS A 51 5.503 3.159 2.736 1.00 0.00 C ATOM 748 C CYS A 51 6.976 2.973 2.357 1.00 0.00 C ATOM 749 O CYS A 51 7.492 1.853 2.398 1.00 0.00 O ATOM 750 CB CYS A 51 4.585 3.435 1.534 1.00 0.00 C ATOM 751 SG CYS A 51 4.699 2.323 0.126 1.00 0.00 S ATOM 0 H CYS A 51 4.681 4.950 3.391 1.00 0.00 H new ATOM 0 HA CYS A 51 5.211 2.204 3.174 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.554 3.423 1.889 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.789 4.446 1.181 1.00 0.00 H new ATOM 756 N ASN A 52 7.670 4.052 2.004 1.00 0.00 N ATOM 757 CA ASN A 52 9.056 3.986 1.605 1.00 0.00 C ATOM 758 C ASN A 52 9.914 3.621 2.799 1.00 0.00 C ATOM 759 O ASN A 52 10.543 2.566 2.783 1.00 0.00 O ATOM 760 CB ASN A 52 9.498 5.221 0.794 1.00 0.00 C ATOM 761 CG ASN A 52 10.089 6.387 1.574 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.189 6.321 2.112 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.379 7.494 1.609 1.00 0.00 N ATOM 0 H ASN A 52 7.278 4.994 1.990 1.00 0.00 H new ATOM 0 HA ASN A 52 9.199 3.179 0.887 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.235 4.897 0.059 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.635 5.588 0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.741 8.317 2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.466 7.529 1.155 1.00 0.00 H new ATOM 770 N ARG A 53 9.812 4.371 3.895 1.00 0.00 N ATOM 771 CA ARG A 53 10.635 4.083 5.069 1.00 0.00 C ATOM 772 C ARG A 53 10.525 2.663 5.626 1.00 0.00 C ATOM 773 O ARG A 53 11.493 2.168 6.203 1.00 0.00 O ATOM 774 CB ARG A 53 10.457 5.145 6.167 1.00 0.00 C ATOM 775 CG ARG A 53 9.287 4.907 7.135 1.00 0.00 C ATOM 776 CD ARG A 53 9.071 6.093 8.082 1.00 0.00 C ATOM 777 NE ARG A 53 10.235 6.293 8.959 1.00 0.00 N ATOM 778 CZ ARG A 53 10.334 7.130 9.993 1.00 0.00 C ATOM 779 NH1 ARG A 53 9.281 7.822 10.416 1.00 0.00 N ATOM 780 NH2 ARG A 53 11.506 7.255 10.605 1.00 0.00 N ATOM 0 H ARG A 53 9.182 5.167 3.995 1.00 0.00 H new ATOM 0 HA ARG A 53 11.657 4.139 4.694 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.379 5.202 6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.320 6.116 5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.376 4.729 6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.478 4.007 7.720 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.891 6.997 7.501 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.181 5.921 8.688 1.00 0.00 H new ATOM 0 HE ARG A 53 11.059 5.728 8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.381 7.717 9.948 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.373 8.458 11.208 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.310 6.716 10.282 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.602 7.890 11.398 1.00 0.00 H new ATOM 794 N THR A 54 9.389 1.983 5.469 1.00 0.00 N ATOM 795 CA THR A 54 9.211 0.636 5.997 1.00 0.00 C ATOM 796 C THR A 54 9.438 -0.498 4.983 1.00 0.00 C ATOM 797 O THR A 54 9.689 -1.618 5.437 1.00 0.00 O ATOM 798 CB THR A 54 7.842 0.600 6.695 1.00 0.00 C ATOM 799 OG1 THR A 54 7.740 -0.390 7.699 1.00 0.00 O ATOM 800 CG2 THR A 54 6.686 0.396 5.725 1.00 0.00 C ATOM 0 H THR A 54 8.574 2.349 4.976 1.00 0.00 H new ATOM 0 HA THR A 54 10.001 0.428 6.719 1.00 0.00 H new ATOM 0 HB THR A 54 7.770 1.584 7.157 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.847 -0.357 8.102 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.746 0.379 6.277 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.668 1.213 5.003 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.815 -0.550 5.199 1.00 0.00 H new ATOM 808 N CYS A 55 9.403 -0.260 3.660 1.00 0.00 N ATOM 809 CA CYS A 55 9.582 -1.335 2.675 1.00 0.00 C ATOM 810 C CYS A 55 10.516 -1.008 1.518 1.00 0.00 C ATOM 811 O CYS A 55 10.957 -1.940 0.845 1.00 0.00 O ATOM 812 CB CYS A 55 8.208 -1.792 2.170 1.00 0.00 C ATOM 813 SG CYS A 55 7.159 -2.326 3.551 1.00 0.00 S ATOM 0 H CYS A 55 9.253 0.663 3.252 1.00 0.00 H new ATOM 0 HA CYS A 55 10.088 -2.146 3.199 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.723 -0.977 1.633 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.330 -2.612 1.462 1.00 0.00 H new ATOM 818 N VAL A 56 10.797 0.256 1.225 1.00 0.00 N ATOM 819 CA VAL A 56 11.724 0.612 0.153 1.00 0.00 C ATOM 820 C VAL A 56 13.115 0.384 0.754 1.00 0.00 C ATOM 821 O VAL A 56 13.650 1.232 1.478 1.00 0.00 O ATOM 822 CB VAL A 56 11.448 2.037 -0.351 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.531 2.631 -1.241 1.00 0.00 C ATOM 824 CG2 VAL A 56 10.132 2.066 -1.143 1.00 0.00 C ATOM 0 H VAL A 56 10.396 1.055 1.715 1.00 0.00 H new ATOM 0 HA VAL A 56 11.618 0.008 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 56 11.408 2.644 0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.242 3.637 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.471 2.673 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.656 2.008 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.943 3.079 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.206 1.391 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.312 1.748 -0.499 1.00 0.00 H new ATOM 834 N GLY A 57 13.645 -0.824 0.544 1.00 0.00 N ATOM 835 CA GLY A 57 14.949 -1.242 1.018 1.00 0.00 C ATOM 836 C GLY A 57 16.018 -0.712 0.089 1.00 0.00 C ATOM 837 O GLY A 57 17.126 -0.406 0.584 1.00 0.00 O ATOM 0 H GLY A 57 13.157 -1.553 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.116 -0.872 2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.999 -2.330 1.064 1.00 0.00 H new