USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 290 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 CYS N :NH3+ -140:sc= 0.454 (180deg=0.0992) USER MOD Single : A 3 SER OG : rot 180:sc= 0.00404 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.155 K(o=-0.15,f=-1.8!) USER MOD Single : A 10 ASN : amide:sc= -0.984 K(o=-0.98,f=-14!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -37:sc= 0.339 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.596 K(o=-0.6,f=-5.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 1.400 -0.698 0.659 1.00 12.21 N ATOM 2 CA CYS A 1 1.954 -0.630 -0.688 1.00 0.45 C ATOM 3 C CYS A 1 3.230 -1.460 -0.793 1.00 43.51 C ATOM 4 O CYS A 1 3.891 -1.730 0.209 1.00 65.21 O ATOM 5 CB CYS A 1 2.244 0.823 -1.069 1.00 43.22 C ATOM 6 SG CYS A 1 3.162 1.756 0.199 1.00 55.05 S ATOM 0 H1 CYS A 1 0.364 -0.767 0.605 1.00 12.21 H new ATOM 0 H2 CYS A 1 1.778 -1.535 1.148 1.00 12.21 H new ATOM 0 H3 CYS A 1 1.663 0.159 1.186 1.00 12.21 H new ATOM 0 HA CYS A 1 1.217 -1.040 -1.379 1.00 0.45 H new ATOM 0 HB2 CYS A 1 2.814 0.837 -1.998 1.00 43.22 H new ATOM 0 HB3 CYS A 1 1.300 1.331 -1.266 1.00 43.22 H new ATOM 11 N ALA A 2 3.570 -1.860 -2.014 1.00 51.20 N ATOM 12 CA ALA A 2 4.767 -2.656 -2.251 1.00 63.33 C ATOM 13 C ALA A 2 6.027 -1.810 -2.107 1.00 44.31 C ATOM 14 O ALA A 2 6.041 -0.633 -2.468 1.00 14.22 O ATOM 15 CB ALA A 2 4.712 -3.293 -3.632 1.00 23.40 C ATOM 0 H ALA A 2 3.033 -1.645 -2.854 1.00 51.20 H new ATOM 0 HA ALA A 2 4.803 -3.445 -1.500 1.00 63.33 H new ATOM 0 HB1 ALA A 2 5.613 -3.885 -3.796 1.00 23.40 H new ATOM 0 HB2 ALA A 2 3.836 -3.938 -3.700 1.00 23.40 H new ATOM 0 HB3 ALA A 2 4.648 -2.513 -4.390 1.00 23.40 H new ATOM 21 N SER A 3 7.085 -2.416 -1.577 1.00 33.10 N ATOM 22 CA SER A 3 8.349 -1.716 -1.381 1.00 32.02 C ATOM 23 C SER A 3 9.329 -2.039 -2.504 1.00 71.54 C ATOM 24 O SER A 3 8.989 -2.738 -3.460 1.00 13.14 O ATOM 25 CB SER A 3 8.961 -2.093 -0.030 1.00 72.34 C ATOM 26 OG SER A 3 9.738 -1.030 0.492 1.00 64.00 O ATOM 0 H SER A 3 7.092 -3.390 -1.276 1.00 33.10 H new ATOM 0 HA SER A 3 8.148 -0.645 -1.395 1.00 32.02 H new ATOM 0 HB2 SER A 3 8.168 -2.348 0.673 1.00 72.34 H new ATOM 0 HB3 SER A 3 9.583 -2.981 -0.144 1.00 72.34 H new ATOM 0 HG SER A 3 10.117 -1.295 1.356 1.00 64.00 H new ATOM 32 N LYS A 4 10.548 -1.526 -2.383 1.00 64.11 N ATOM 33 CA LYS A 4 11.581 -1.760 -3.386 1.00 54.40 C ATOM 34 C LYS A 4 11.912 -3.245 -3.491 1.00 14.14 C ATOM 35 O LYS A 4 12.062 -3.929 -2.480 1.00 33.45 O ATOM 36 CB LYS A 4 12.844 -0.968 -3.041 1.00 40.34 C ATOM 37 CG LYS A 4 13.884 -0.970 -4.148 1.00 50.44 C ATOM 38 CD LYS A 4 15.229 -0.467 -3.651 1.00 31.01 C ATOM 39 CE LYS A 4 16.026 0.189 -4.768 1.00 4.25 C ATOM 40 NZ LYS A 4 17.494 0.079 -4.540 1.00 71.40 N ATOM 0 H LYS A 4 10.846 -0.945 -1.600 1.00 64.11 H new ATOM 0 HA LYS A 4 11.199 -1.422 -4.350 1.00 54.40 H new ATOM 0 HB2 LYS A 4 12.567 0.062 -2.816 1.00 40.34 H new ATOM 0 HB3 LYS A 4 13.288 -1.384 -2.136 1.00 40.34 H new ATOM 0 HG2 LYS A 4 13.995 -1.980 -4.542 1.00 50.44 H new ATOM 0 HG3 LYS A 4 13.542 -0.343 -4.971 1.00 50.44 H new ATOM 0 HD2 LYS A 4 15.075 0.249 -2.844 1.00 31.01 H new ATOM 0 HD3 LYS A 4 15.799 -1.298 -3.236 1.00 31.01 H new ATOM 0 HE2 LYS A 4 15.770 -0.278 -5.719 1.00 4.25 H new ATOM 0 HE3 LYS A 4 15.748 1.240 -4.844 1.00 4.25 H new ATOM 0 HZ1 LYS A 4 18.002 0.538 -5.323 1.00 71.40 H new ATOM 0 HZ2 LYS A 4 17.742 0.546 -3.645 1.00 71.40 H new ATOM 0 HZ3 LYS A 4 17.764 -0.924 -4.493 1.00 71.40 H new ATOM 54 N ASN A 5 12.025 -3.736 -4.720 1.00 63.13 N ATOM 55 CA ASN A 5 12.340 -5.141 -4.956 1.00 53.44 C ATOM 56 C ASN A 5 11.158 -6.032 -4.587 1.00 70.11 C ATOM 57 O ASN A 5 11.281 -7.256 -4.546 1.00 53.32 O ATOM 58 CB ASN A 5 13.574 -5.551 -4.150 1.00 51.24 C ATOM 59 CG ASN A 5 14.341 -6.684 -4.804 1.00 73.20 C ATOM 60 OD1 ASN A 5 14.285 -6.866 -6.020 1.00 51.03 O ATOM 61 ND2 ASN A 5 15.062 -7.453 -3.997 1.00 32.44 N ATOM 0 H ASN A 5 11.903 -3.183 -5.568 1.00 63.13 H new ATOM 0 HA ASN A 5 12.550 -5.268 -6.018 1.00 53.44 H new ATOM 0 HB2 ASN A 5 14.232 -4.690 -4.034 1.00 51.24 H new ATOM 0 HB3 ASN A 5 13.267 -5.854 -3.149 1.00 51.24 H new ATOM 0 HD21 ASN A 5 15.599 -8.232 -4.379 1.00 32.44 H new ATOM 0 HD22 ASN A 5 15.079 -7.265 -2.995 1.00 32.44 H new ATOM 68 N GLU A 6 10.014 -5.409 -4.320 1.00 24.11 N ATOM 69 CA GLU A 6 8.811 -6.147 -3.954 1.00 11.31 C ATOM 70 C GLU A 6 7.861 -6.263 -5.143 1.00 2.52 C ATOM 71 O GLU A 6 7.779 -5.359 -5.975 1.00 61.44 O ATOM 72 CB GLU A 6 8.101 -5.460 -2.785 1.00 70.41 C ATOM 73 CG GLU A 6 9.002 -5.210 -1.588 1.00 24.23 C ATOM 74 CD GLU A 6 9.236 -6.460 -0.762 1.00 32.41 C ATOM 75 OE1 GLU A 6 8.597 -7.493 -1.056 1.00 0.42 O ATOM 76 OE2 GLU A 6 10.056 -6.407 0.178 1.00 44.13 O ATOM 0 H GLU A 6 9.895 -4.396 -4.350 1.00 24.11 H new ATOM 0 HA GLU A 6 9.109 -7.150 -3.650 1.00 11.31 H new ATOM 0 HB2 GLU A 6 7.693 -4.509 -3.127 1.00 70.41 H new ATOM 0 HB3 GLU A 6 7.257 -6.075 -2.472 1.00 70.41 H new ATOM 0 HG2 GLU A 6 9.960 -4.823 -1.934 1.00 24.23 H new ATOM 0 HG3 GLU A 6 8.557 -4.441 -0.957 1.00 24.23 H new ATOM 83 N ARG A 7 7.146 -7.381 -5.215 1.00 5.42 N ATOM 84 CA ARG A 7 6.204 -7.616 -6.302 1.00 30.22 C ATOM 85 C ARG A 7 5.021 -6.656 -6.214 1.00 23.13 C ATOM 86 O ARG A 7 4.411 -6.502 -5.156 1.00 15.14 O ATOM 87 CB ARG A 7 5.705 -9.062 -6.268 1.00 53.11 C ATOM 88 CG ARG A 7 6.806 -10.081 -6.028 1.00 22.22 C ATOM 89 CD ARG A 7 6.464 -11.427 -6.647 1.00 65.25 C ATOM 90 NE ARG A 7 5.398 -12.110 -5.919 1.00 64.14 N ATOM 91 CZ ARG A 7 4.689 -13.113 -6.425 1.00 10.02 C ATOM 92 NH1 ARG A 7 4.931 -13.548 -7.654 1.00 4.33 N ATOM 93 NH2 ARG A 7 3.735 -13.684 -5.700 1.00 50.42 N ATOM 0 H ARG A 7 7.201 -8.138 -4.534 1.00 5.42 H new ATOM 0 HA ARG A 7 6.723 -7.439 -7.244 1.00 30.22 H new ATOM 0 HB2 ARG A 7 4.954 -9.160 -5.484 1.00 53.11 H new ATOM 0 HB3 ARG A 7 5.211 -9.289 -7.213 1.00 53.11 H new ATOM 0 HG2 ARG A 7 7.742 -9.713 -6.449 1.00 22.22 H new ATOM 0 HG3 ARG A 7 6.964 -10.202 -4.956 1.00 22.22 H new ATOM 0 HD2 ARG A 7 6.160 -11.282 -7.684 1.00 65.25 H new ATOM 0 HD3 ARG A 7 7.354 -12.056 -6.661 1.00 65.25 H new ATOM 0 HE ARG A 7 5.186 -11.800 -4.971 1.00 64.14 H new ATOM 0 HH11 ARG A 7 5.664 -13.112 -8.214 1.00 4.33 H new ATOM 0 HH12 ARG A 7 4.385 -14.318 -8.039 1.00 4.33 H new ATOM 0 HH21 ARG A 7 3.546 -13.353 -4.754 1.00 50.42 H new ATOM 0 HH22 ARG A 7 3.191 -14.454 -6.089 1.00 50.42 H new ATOM 107 N CYS A 8 4.704 -6.012 -7.332 1.00 32.41 N ATOM 108 CA CYS A 8 3.596 -5.067 -7.382 1.00 55.51 C ATOM 109 C CYS A 8 2.616 -5.434 -8.493 1.00 62.50 C ATOM 110 O CYS A 8 2.875 -6.335 -9.290 1.00 43.35 O ATOM 111 CB CYS A 8 4.120 -3.646 -7.599 1.00 52.32 C ATOM 112 SG CYS A 8 5.433 -3.522 -8.855 1.00 43.42 S ATOM 0 H CYS A 8 5.199 -6.128 -8.216 1.00 32.41 H new ATOM 0 HA CYS A 8 3.070 -5.112 -6.428 1.00 55.51 H new ATOM 0 HB2 CYS A 8 3.289 -3.005 -7.893 1.00 52.32 H new ATOM 0 HB3 CYS A 8 4.500 -3.262 -6.652 1.00 52.32 H new ATOM 117 N GLY A 9 1.489 -4.730 -8.538 1.00 62.23 N ATOM 118 CA GLY A 9 0.488 -4.997 -9.555 1.00 2.14 C ATOM 119 C GLY A 9 0.486 -3.953 -10.654 1.00 72.50 C ATOM 120 O GLY A 9 1.111 -2.902 -10.522 1.00 63.45 O ATOM 0 H GLY A 9 1.251 -3.980 -7.889 1.00 62.23 H new ATOM 0 HA2 GLY A 9 0.671 -5.979 -9.991 1.00 2.14 H new ATOM 0 HA3 GLY A 9 -0.497 -5.033 -9.090 1.00 2.14 H new ATOM 124 N ASN A 10 -0.219 -4.245 -11.743 1.00 4.22 N ATOM 125 CA ASN A 10 -0.298 -3.324 -12.871 1.00 63.11 C ATOM 126 C ASN A 10 -1.463 -3.686 -13.787 1.00 43.55 C ATOM 127 O ASN A 10 -1.428 -4.702 -14.480 1.00 54.15 O ATOM 128 CB ASN A 10 1.012 -3.340 -13.662 1.00 31.20 C ATOM 129 CG ASN A 10 1.080 -2.227 -14.690 1.00 24.14 C ATOM 130 OD1 ASN A 10 0.060 -1.808 -15.236 1.00 71.01 O ATOM 131 ND2 ASN A 10 2.288 -1.743 -14.958 1.00 14.15 N ATOM 0 H ASN A 10 -0.743 -5.111 -11.868 1.00 4.22 H new ATOM 0 HA ASN A 10 -0.465 -2.321 -12.479 1.00 63.11 H new ATOM 0 HB2 ASN A 10 1.851 -3.246 -12.972 1.00 31.20 H new ATOM 0 HB3 ASN A 10 1.118 -4.302 -14.164 1.00 31.20 H new ATOM 0 HD21 ASN A 10 2.397 -0.993 -15.641 1.00 14.15 H new ATOM 0 HD22 ASN A 10 3.106 -2.121 -14.481 1.00 14.15 H new ATOM 138 N ALA A 11 -2.493 -2.846 -13.785 1.00 44.55 N ATOM 139 CA ALA A 11 -3.667 -3.075 -14.618 1.00 42.41 C ATOM 140 C ALA A 11 -3.290 -3.130 -16.095 1.00 33.22 C ATOM 141 O ALA A 11 -3.883 -3.883 -16.869 1.00 42.13 O ATOM 142 CB ALA A 11 -4.705 -1.989 -14.377 1.00 0.23 C ATOM 0 H ALA A 11 -2.538 -2.001 -13.216 1.00 44.55 H new ATOM 0 HA ALA A 11 -4.095 -4.039 -14.343 1.00 42.41 H new ATOM 0 HB1 ALA A 11 -5.576 -2.173 -15.006 1.00 0.23 H new ATOM 0 HB2 ALA A 11 -5.005 -1.999 -13.329 1.00 0.23 H new ATOM 0 HB3 ALA A 11 -4.278 -1.017 -14.623 1.00 0.23 H new ATOM 148 N LEU A 12 -2.303 -2.329 -16.479 1.00 62.12 N ATOM 149 CA LEU A 12 -1.847 -2.287 -17.864 1.00 53.44 C ATOM 150 C LEU A 12 -1.334 -3.652 -18.311 1.00 52.11 C ATOM 151 O LEU A 12 -1.301 -3.954 -19.504 1.00 41.13 O ATOM 152 CB LEU A 12 -0.747 -1.237 -18.028 1.00 43.01 C ATOM 153 CG LEU A 12 -1.044 0.144 -17.442 1.00 63.14 C ATOM 154 CD1 LEU A 12 0.105 1.101 -17.722 1.00 71.31 C ATOM 155 CD2 LEU A 12 -2.347 0.693 -18.005 1.00 64.11 C ATOM 0 H LEU A 12 -1.803 -1.700 -15.851 1.00 62.12 H new ATOM 0 HA LEU A 12 -2.696 -2.016 -18.492 1.00 53.44 H new ATOM 0 HB2 LEU A 12 0.163 -1.618 -17.565 1.00 43.01 H new ATOM 0 HB3 LEU A 12 -0.539 -1.121 -19.092 1.00 43.01 H new ATOM 0 HG LEU A 12 -1.152 0.044 -16.362 1.00 63.14 H new ATOM 0 HD11 LEU A 12 -0.124 2.079 -17.298 1.00 71.31 H new ATOM 0 HD12 LEU A 12 1.019 0.714 -17.270 1.00 71.31 H new ATOM 0 HD13 LEU A 12 0.245 1.197 -18.799 1.00 71.31 H new ATOM 0 HD21 LEU A 12 -2.543 1.676 -17.577 1.00 64.11 H new ATOM 0 HD22 LEU A 12 -2.268 0.778 -19.089 1.00 64.11 H new ATOM 0 HD23 LEU A 12 -3.165 0.018 -17.753 1.00 64.11 H new ATOM 167 N TYR A 13 -0.937 -4.473 -17.346 1.00 33.52 N ATOM 168 CA TYR A 13 -0.426 -5.807 -17.639 1.00 42.05 C ATOM 169 C TYR A 13 -1.424 -6.879 -17.214 1.00 21.34 C ATOM 170 O TYR A 13 -1.078 -8.054 -17.094 1.00 44.23 O ATOM 171 CB TYR A 13 0.912 -6.030 -16.932 1.00 41.03 C ATOM 172 CG TYR A 13 2.110 -5.634 -17.765 1.00 25.21 C ATOM 173 CD1 TYR A 13 2.466 -4.299 -17.915 1.00 62.41 C ATOM 174 CD2 TYR A 13 2.886 -6.594 -18.402 1.00 63.42 C ATOM 175 CE1 TYR A 13 3.560 -3.933 -18.675 1.00 51.24 C ATOM 176 CE2 TYR A 13 3.982 -6.237 -19.163 1.00 65.22 C ATOM 177 CZ TYR A 13 4.315 -4.905 -19.297 1.00 21.30 C ATOM 178 OH TYR A 13 5.405 -4.545 -20.055 1.00 64.34 O ATOM 0 H TYR A 13 -0.959 -4.239 -16.354 1.00 33.52 H new ATOM 0 HA TYR A 13 -0.277 -5.883 -18.716 1.00 42.05 H new ATOM 0 HB2 TYR A 13 0.922 -5.460 -16.003 1.00 41.03 H new ATOM 0 HB3 TYR A 13 1.000 -7.082 -16.662 1.00 41.03 H new ATOM 0 HD1 TYR A 13 1.877 -3.535 -17.429 1.00 62.41 H new ATOM 0 HD2 TYR A 13 2.628 -7.638 -18.300 1.00 63.42 H new ATOM 0 HE1 TYR A 13 3.823 -2.891 -18.781 1.00 51.24 H new ATOM 0 HE2 TYR A 13 4.575 -6.997 -19.651 1.00 65.22 H new ATOM 0 HH TYR A 13 5.828 -5.349 -20.423 1.00 64.34 H new ATOM 188 N GLY A 14 -2.667 -6.465 -16.986 1.00 62.01 N ATOM 189 CA GLY A 14 -3.697 -7.401 -16.577 1.00 34.05 C ATOM 190 C GLY A 14 -3.335 -8.142 -15.305 1.00 33.21 C ATOM 191 O GLY A 14 -3.802 -9.258 -15.073 1.00 21.14 O ATOM 0 H GLY A 14 -2.978 -5.498 -17.077 1.00 62.01 H new ATOM 0 HA2 GLY A 14 -4.633 -6.863 -16.427 1.00 34.05 H new ATOM 0 HA3 GLY A 14 -3.868 -8.121 -17.377 1.00 34.05 H new ATOM 195 N THR A 15 -2.499 -7.522 -14.478 1.00 31.31 N ATOM 196 CA THR A 15 -2.072 -8.131 -13.225 1.00 30.15 C ATOM 197 C THR A 15 -2.580 -7.337 -12.026 1.00 61.15 C ATOM 198 O THR A 15 -2.352 -6.131 -11.926 1.00 32.33 O ATOM 199 CB THR A 15 -0.537 -8.234 -13.144 1.00 72.33 C ATOM 200 OG1 THR A 15 0.032 -6.935 -12.948 1.00 15.02 O ATOM 201 CG2 THR A 15 0.030 -8.856 -14.412 1.00 3.53 C ATOM 0 H THR A 15 -2.104 -6.598 -14.654 1.00 31.31 H new ATOM 0 HA THR A 15 -2.498 -9.134 -13.201 1.00 30.15 H new ATOM 0 HB THR A 15 -0.281 -8.873 -12.298 1.00 72.33 H new ATOM 0 HG1 THR A 15 -0.477 -6.274 -13.462 1.00 15.02 H new ATOM 0 HG21 THR A 15 1.115 -8.919 -14.333 1.00 3.53 H new ATOM 0 HG22 THR A 15 -0.383 -9.856 -14.543 1.00 3.53 H new ATOM 0 HG23 THR A 15 -0.236 -8.239 -15.270 1.00 3.53 H new ATOM 209 N LYS A 16 -3.269 -8.020 -11.119 1.00 21.42 N ATOM 210 CA LYS A 16 -3.808 -7.380 -9.925 1.00 51.22 C ATOM 211 C LYS A 16 -2.856 -7.540 -8.744 1.00 70.43 C ATOM 212 O LYS A 16 -2.634 -8.649 -8.260 1.00 64.31 O ATOM 213 CB LYS A 16 -5.175 -7.973 -9.576 1.00 60.12 C ATOM 214 CG LYS A 16 -5.156 -9.481 -9.397 1.00 25.25 C ATOM 215 CD LYS A 16 -6.163 -10.164 -10.307 1.00 24.25 C ATOM 216 CE LYS A 16 -5.523 -10.606 -11.614 1.00 3.02 C ATOM 217 NZ LYS A 16 -6.162 -11.837 -12.156 1.00 52.43 N ATOM 0 H LYS A 16 -3.468 -9.018 -11.188 1.00 21.42 H new ATOM 0 HA LYS A 16 -3.923 -6.316 -10.134 1.00 51.22 H new ATOM 0 HB2 LYS A 16 -5.538 -7.511 -8.658 1.00 60.12 H new ATOM 0 HB3 LYS A 16 -5.884 -7.718 -10.364 1.00 60.12 H new ATOM 0 HG2 LYS A 16 -4.157 -9.861 -9.609 1.00 25.25 H new ATOM 0 HG3 LYS A 16 -5.377 -9.728 -8.359 1.00 25.25 H new ATOM 0 HD2 LYS A 16 -6.587 -11.029 -9.797 1.00 24.25 H new ATOM 0 HD3 LYS A 16 -6.987 -9.482 -10.517 1.00 24.25 H new ATOM 0 HE2 LYS A 16 -5.602 -9.803 -12.347 1.00 3.02 H new ATOM 0 HE3 LYS A 16 -4.460 -10.789 -11.455 1.00 3.02 H new ATOM 0 HZ1 LYS A 16 -5.698 -12.106 -13.047 1.00 52.43 H new ATOM 0 HZ2 LYS A 16 -6.065 -12.611 -11.468 1.00 52.43 H new ATOM 0 HZ3 LYS A 16 -7.171 -11.656 -12.332 1.00 52.43 H new ATOM 231 N GLY A 17 -2.297 -6.425 -8.284 1.00 52.02 N ATOM 232 CA GLY A 17 -1.377 -6.464 -7.163 1.00 21.21 C ATOM 233 C GLY A 17 -1.196 -5.107 -6.513 1.00 54.31 C ATOM 234 O GLY A 17 -1.728 -4.097 -6.977 1.00 23.35 O ATOM 0 H GLY A 17 -2.465 -5.495 -8.668 1.00 52.02 H new ATOM 0 HA2 GLY A 17 -1.744 -7.173 -6.421 1.00 21.21 H new ATOM 0 HA3 GLY A 17 -0.409 -6.832 -7.504 1.00 21.21 H new ATOM 238 N PRO A 18 -0.432 -5.070 -5.412 1.00 24.42 N ATOM 239 CA PRO A 18 -0.166 -3.832 -4.673 1.00 60.50 C ATOM 240 C PRO A 18 0.734 -2.876 -5.448 1.00 60.44 C ATOM 241 O PRO A 18 1.652 -3.302 -6.148 1.00 23.45 O ATOM 242 CB PRO A 18 0.539 -4.321 -3.405 1.00 11.41 C ATOM 243 CG PRO A 18 1.160 -5.618 -3.792 1.00 74.42 C ATOM 244 CD PRO A 18 0.233 -6.235 -4.803 1.00 61.04 C ATOM 0 HA PRO A 18 -1.079 -3.268 -4.480 1.00 60.50 H new ATOM 0 HB2 PRO A 18 1.291 -3.607 -3.070 1.00 11.41 H new ATOM 0 HB3 PRO A 18 -0.167 -4.449 -2.584 1.00 11.41 H new ATOM 0 HG2 PRO A 18 2.153 -5.465 -4.215 1.00 74.42 H new ATOM 0 HG3 PRO A 18 1.280 -6.267 -2.925 1.00 74.42 H new ATOM 0 HD2 PRO A 18 0.778 -6.819 -5.544 1.00 61.04 H new ATOM 0 HD3 PRO A 18 -0.485 -6.907 -4.333 1.00 61.04 H new ATOM 252 N GLY A 19 0.464 -1.581 -5.319 1.00 43.22 N ATOM 253 CA GLY A 19 1.259 -0.585 -6.013 1.00 43.25 C ATOM 254 C GLY A 19 2.498 -0.187 -5.236 1.00 1.21 C ATOM 255 O GLY A 19 2.487 -0.164 -4.005 1.00 12.42 O ATOM 0 H GLY A 19 -0.291 -1.204 -4.746 1.00 43.22 H new ATOM 0 HA2 GLY A 19 1.555 -0.975 -6.987 1.00 43.25 H new ATOM 0 HA3 GLY A 19 0.649 0.300 -6.196 1.00 43.25 H new ATOM 259 N CYS A 20 3.571 0.126 -5.955 1.00 11.01 N ATOM 260 CA CYS A 20 4.825 0.523 -5.326 1.00 34.03 C ATOM 261 C CYS A 20 4.654 1.824 -4.547 1.00 44.31 C ATOM 262 O CYS A 20 4.110 2.802 -5.061 1.00 74.31 O ATOM 263 CB CYS A 20 5.920 0.687 -6.381 1.00 72.04 C ATOM 264 SG CYS A 20 6.325 -0.847 -7.277 1.00 2.13 S ATOM 0 H CYS A 20 3.597 0.112 -6.975 1.00 11.01 H new ATOM 0 HA CYS A 20 5.117 -0.262 -4.629 1.00 34.03 H new ATOM 0 HB2 CYS A 20 5.606 1.443 -7.100 1.00 72.04 H new ATOM 0 HB3 CYS A 20 6.822 1.062 -5.898 1.00 72.04 H new ATOM 269 N CYS A 21 5.125 1.829 -3.304 1.00 55.42 N ATOM 270 CA CYS A 21 5.025 3.009 -2.453 1.00 42.14 C ATOM 271 C CYS A 21 5.575 4.241 -3.166 1.00 5.44 C ATOM 272 O CYS A 21 4.948 5.300 -3.171 1.00 22.43 O ATOM 273 CB CYS A 21 5.782 2.784 -1.143 1.00 33.42 C ATOM 274 SG CYS A 21 5.108 1.437 -0.118 1.00 23.42 S ATOM 0 H CYS A 21 5.580 1.029 -2.864 1.00 55.42 H new ATOM 0 HA CYS A 21 3.971 3.179 -2.231 1.00 42.14 H new ATOM 0 HB2 CYS A 21 6.825 2.566 -1.371 1.00 33.42 H new ATOM 0 HB3 CYS A 21 5.769 3.708 -0.565 1.00 33.42 H new ATOM 279 N ASN A 22 6.752 4.095 -3.766 1.00 61.21 N ATOM 280 CA ASN A 22 7.388 5.195 -4.481 1.00 55.54 C ATOM 281 C ASN A 22 8.395 4.672 -5.500 1.00 42.34 C ATOM 282 O ASN A 22 9.424 4.104 -5.136 1.00 51.15 O ATOM 283 CB ASN A 22 8.083 6.137 -3.496 1.00 44.04 C ATOM 284 CG ASN A 22 8.788 7.285 -4.193 1.00 53.13 C ATOM 285 OD1 ASN A 22 8.157 8.093 -4.875 1.00 73.33 O ATOM 286 ND2 ASN A 22 10.103 7.362 -4.024 1.00 54.25 N ATOM 0 H ASN A 22 7.285 3.225 -3.771 1.00 61.21 H new ATOM 0 HA ASN A 22 6.613 5.746 -5.014 1.00 55.54 H new ATOM 0 HB2 ASN A 22 7.347 6.536 -2.798 1.00 44.04 H new ATOM 0 HB3 ASN A 22 8.807 5.573 -2.908 1.00 44.04 H new ATOM 0 HD21 ASN A 22 10.631 8.113 -4.468 1.00 54.25 H new ATOM 0 HD22 ASN A 22 10.585 6.670 -3.450 1.00 54.25 H new ATOM 293 N GLY A 23 8.092 4.869 -6.780 1.00 14.11 N ATOM 294 CA GLY A 23 8.980 4.412 -7.832 1.00 44.01 C ATOM 295 C GLY A 23 8.240 4.076 -9.111 1.00 50.03 C ATOM 296 O GLY A 23 7.524 4.913 -9.662 1.00 3.01 O ATOM 0 H GLY A 23 7.247 5.337 -7.107 1.00 14.11 H new ATOM 0 HA2 GLY A 23 9.722 5.184 -8.037 1.00 44.01 H new ATOM 0 HA3 GLY A 23 9.523 3.531 -7.488 1.00 44.01 H new ATOM 300 N LYS A 24 8.412 2.848 -9.588 1.00 25.33 N ATOM 301 CA LYS A 24 7.756 2.402 -10.811 1.00 32.43 C ATOM 302 C LYS A 24 7.768 0.880 -10.911 1.00 34.45 C ATOM 303 O LYS A 24 8.784 0.238 -10.645 1.00 64.43 O ATOM 304 CB LYS A 24 8.445 3.009 -12.035 1.00 30.13 C ATOM 305 CG LYS A 24 9.761 2.337 -12.387 1.00 51.35 C ATOM 306 CD LYS A 24 10.441 3.024 -13.560 1.00 53.11 C ATOM 307 CE LYS A 24 11.617 3.873 -13.103 1.00 52.40 C ATOM 308 NZ LYS A 24 12.911 3.151 -13.246 1.00 2.13 N ATOM 0 H LYS A 24 9.001 2.143 -9.145 1.00 25.33 H new ATOM 0 HA LYS A 24 6.720 2.739 -10.781 1.00 32.43 H new ATOM 0 HB2 LYS A 24 7.773 2.943 -12.890 1.00 30.13 H new ATOM 0 HB3 LYS A 24 8.625 4.068 -11.852 1.00 30.13 H new ATOM 0 HG2 LYS A 24 10.422 2.354 -11.521 1.00 51.35 H new ATOM 0 HG3 LYS A 24 9.582 1.290 -12.631 1.00 51.35 H new ATOM 0 HD2 LYS A 24 10.787 2.274 -14.271 1.00 53.11 H new ATOM 0 HD3 LYS A 24 9.720 3.651 -14.084 1.00 53.11 H new ATOM 0 HE2 LYS A 24 11.648 4.794 -13.686 1.00 52.40 H new ATOM 0 HE3 LYS A 24 11.475 4.160 -12.061 1.00 52.40 H new ATOM 0 HZ1 LYS A 24 13.688 3.763 -12.924 1.00 2.13 H new ATOM 0 HZ2 LYS A 24 12.891 2.285 -12.670 1.00 2.13 H new ATOM 0 HZ3 LYS A 24 13.060 2.899 -14.244 1.00 2.13 H new ATOM 322 N CYS A 25 6.632 0.308 -11.296 1.00 33.32 N ATOM 323 CA CYS A 25 6.511 -1.139 -11.432 1.00 40.20 C ATOM 324 C CYS A 25 7.129 -1.615 -12.744 1.00 32.14 C ATOM 325 O CYS A 25 6.814 -1.095 -13.814 1.00 43.24 O ATOM 326 CB CYS A 25 5.041 -1.557 -11.366 1.00 71.43 C ATOM 327 SG CYS A 25 4.769 -3.207 -10.644 1.00 22.51 S ATOM 0 H CYS A 25 5.781 0.825 -11.519 1.00 33.32 H new ATOM 0 HA CYS A 25 7.051 -1.603 -10.607 1.00 40.20 H new ATOM 0 HB2 CYS A 25 4.491 -0.821 -10.780 1.00 71.43 H new ATOM 0 HB3 CYS A 25 4.624 -1.539 -12.373 1.00 71.43 H new ATOM 332 N ILE A 26 8.008 -2.607 -12.651 1.00 43.31 N ATOM 333 CA ILE A 26 8.669 -3.154 -13.830 1.00 13.23 C ATOM 334 C ILE A 26 8.099 -4.520 -14.194 1.00 71.45 C ATOM 335 O ILE A 26 8.532 -5.546 -13.669 1.00 31.31 O ATOM 336 CB ILE A 26 10.188 -3.285 -13.614 1.00 0.41 C ATOM 337 CG1 ILE A 26 10.802 -1.916 -13.315 1.00 4.45 C ATOM 338 CG2 ILE A 26 10.845 -3.910 -14.835 1.00 74.24 C ATOM 339 CD1 ILE A 26 10.588 -0.903 -14.418 1.00 25.13 C ATOM 0 H ILE A 26 8.279 -3.048 -11.772 1.00 43.31 H new ATOM 0 HA ILE A 26 8.486 -2.456 -14.647 1.00 13.23 H new ATOM 0 HB ILE A 26 10.363 -3.936 -12.758 1.00 0.41 H new ATOM 0 HG12 ILE A 26 10.374 -1.529 -12.390 1.00 4.45 H new ATOM 0 HG13 ILE A 26 11.872 -2.036 -13.146 1.00 4.45 H new ATOM 0 HG21 ILE A 26 11.919 -3.996 -14.667 1.00 74.24 H new ATOM 0 HG22 ILE A 26 10.424 -4.901 -15.007 1.00 74.24 H new ATOM 0 HG23 ILE A 26 10.664 -3.282 -15.707 1.00 74.24 H new ATOM 0 HD11 ILE A 26 11.050 0.044 -14.137 1.00 25.13 H new ATOM 0 HD12 ILE A 26 11.040 -1.268 -15.340 1.00 25.13 H new ATOM 0 HD13 ILE A 26 9.519 -0.754 -14.572 1.00 25.13 H new ATOM 351 N CYS A 27 7.126 -4.527 -15.100 1.00 20.24 N ATOM 352 CA CYS A 27 6.497 -5.767 -15.537 1.00 74.22 C ATOM 353 C CYS A 27 7.330 -6.448 -16.619 1.00 24.23 C ATOM 354 O CYS A 27 7.685 -5.832 -17.623 1.00 43.35 O ATOM 355 CB CYS A 27 5.087 -5.490 -16.063 1.00 71.13 C ATOM 356 SG CYS A 27 3.872 -5.100 -14.764 1.00 13.53 S ATOM 0 H CYS A 27 6.756 -3.687 -15.545 1.00 20.24 H new ATOM 0 HA CYS A 27 6.433 -6.435 -14.678 1.00 74.22 H new ATOM 0 HB2 CYS A 27 5.130 -4.659 -16.767 1.00 71.13 H new ATOM 0 HB3 CYS A 27 4.741 -6.361 -16.620 1.00 71.13 H new ATOM 361 N ARG A 28 7.639 -7.723 -16.405 1.00 72.22 N ATOM 362 CA ARG A 28 8.431 -8.488 -17.361 1.00 2.14 C ATOM 363 C ARG A 28 7.889 -9.907 -17.504 1.00 24.24 C ATOM 364 O ARG A 28 7.563 -10.562 -16.513 1.00 53.00 O ATOM 365 CB ARG A 28 9.896 -8.532 -16.921 1.00 51.55 C ATOM 366 CG ARG A 28 10.419 -7.199 -16.411 1.00 13.21 C ATOM 367 CD ARG A 28 11.890 -7.013 -16.745 1.00 44.43 C ATOM 368 NE ARG A 28 12.159 -5.697 -17.320 1.00 21.12 N ATOM 369 CZ ARG A 28 13.267 -5.400 -17.990 1.00 21.14 C ATOM 370 NH1 ARG A 28 14.205 -6.320 -18.168 1.00 74.53 N ATOM 371 NH2 ARG A 28 13.439 -4.180 -18.483 1.00 31.24 N ATOM 0 H ARG A 28 7.353 -8.248 -15.578 1.00 72.22 H new ATOM 0 HA ARG A 28 8.364 -7.993 -18.330 1.00 2.14 H new ATOM 0 HB2 ARG A 28 10.009 -9.281 -16.137 1.00 51.55 H new ATOM 0 HB3 ARG A 28 10.510 -8.856 -17.762 1.00 51.55 H new ATOM 0 HG2 ARG A 28 9.840 -6.387 -16.851 1.00 13.21 H new ATOM 0 HG3 ARG A 28 10.280 -7.141 -15.331 1.00 13.21 H new ATOM 0 HD2 ARG A 28 12.486 -7.143 -15.842 1.00 44.43 H new ATOM 0 HD3 ARG A 28 12.203 -7.786 -17.447 1.00 44.43 H new ATOM 0 HE ARG A 28 11.458 -4.966 -17.200 1.00 21.12 H new ATOM 0 HH11 ARG A 28 14.077 -7.259 -17.790 1.00 74.53 H new ATOM 0 HH12 ARG A 28 15.055 -6.089 -18.683 1.00 74.53 H new ATOM 0 HH21 ARG A 28 12.720 -3.469 -18.348 1.00 31.24 H new ATOM 0 HH22 ARG A 28 14.290 -3.953 -18.997 1.00 31.24 H new ATOM 385 N THR A 29 7.796 -10.377 -18.744 1.00 32.44 N ATOM 386 CA THR A 29 7.292 -11.717 -19.017 1.00 23.41 C ATOM 387 C THR A 29 8.434 -12.722 -19.128 1.00 12.31 C ATOM 388 O THR A 29 9.441 -12.461 -19.786 1.00 22.51 O ATOM 389 CB THR A 29 6.465 -11.753 -20.316 1.00 14.44 C ATOM 390 OG1 THR A 29 5.781 -10.507 -20.494 1.00 74.44 O ATOM 391 CG2 THR A 29 5.456 -12.891 -20.284 1.00 21.02 C ATOM 0 H THR A 29 8.063 -9.849 -19.575 1.00 32.44 H new ATOM 0 HA THR A 29 6.651 -11.990 -18.179 1.00 23.41 H new ATOM 0 HB THR A 29 7.146 -11.917 -21.151 1.00 14.44 H new ATOM 0 HG1 THR A 29 5.259 -10.536 -21.323 1.00 74.44 H new ATOM 0 HG21 THR A 29 4.884 -12.896 -21.212 1.00 21.02 H new ATOM 0 HG22 THR A 29 5.981 -13.840 -20.176 1.00 21.02 H new ATOM 0 HG23 THR A 29 4.779 -12.753 -19.441 1.00 21.02 H new ATOM 399 N VAL A 30 8.270 -13.871 -18.481 1.00 33.13 N ATOM 400 CA VAL A 30 9.286 -14.916 -18.508 1.00 42.04 C ATOM 401 C VAL A 30 8.650 -16.301 -18.525 1.00 20.31 C ATOM 402 O VAL A 30 8.018 -16.733 -17.561 1.00 11.15 O ATOM 403 CB VAL A 30 10.232 -14.812 -17.297 1.00 15.51 C ATOM 404 CG1 VAL A 30 10.782 -16.181 -16.929 1.00 71.12 C ATOM 405 CG2 VAL A 30 11.361 -13.834 -17.586 1.00 12.05 C ATOM 0 H VAL A 30 7.442 -14.102 -17.931 1.00 33.13 H new ATOM 0 HA VAL A 30 9.862 -14.773 -19.422 1.00 42.04 H new ATOM 0 HB VAL A 30 9.665 -14.435 -16.446 1.00 15.51 H new ATOM 0 HG11 VAL A 30 11.448 -16.087 -16.071 1.00 71.12 H new ATOM 0 HG12 VAL A 30 9.958 -16.848 -16.677 1.00 71.12 H new ATOM 0 HG13 VAL A 30 11.335 -16.590 -17.775 1.00 71.12 H new ATOM 0 HG21 VAL A 30 12.020 -13.773 -16.720 1.00 12.05 H new ATOM 0 HG22 VAL A 30 11.929 -14.179 -18.450 1.00 12.05 H new ATOM 0 HG23 VAL A 30 10.944 -12.849 -17.795 1.00 12.05 H new ATOM 415 N PRO A 31 8.820 -17.017 -19.646 1.00 61.24 N ATOM 416 CA PRO A 31 8.271 -18.366 -19.816 1.00 12.34 C ATOM 417 C PRO A 31 8.565 -19.266 -18.620 1.00 42.25 C ATOM 418 O PRO A 31 7.708 -20.034 -18.184 1.00 31.00 O ATOM 419 CB PRO A 31 8.986 -18.886 -21.065 1.00 55.54 C ATOM 420 CG PRO A 31 9.344 -17.661 -21.834 1.00 3.43 C ATOM 421 CD PRO A 31 9.562 -16.565 -20.835 1.00 62.43 C ATOM 0 HA PRO A 31 7.185 -18.356 -19.904 1.00 12.34 H new ATOM 0 HB2 PRO A 31 9.873 -19.462 -20.802 1.00 55.54 H new ATOM 0 HB3 PRO A 31 8.340 -19.544 -21.646 1.00 55.54 H new ATOM 0 HG2 PRO A 31 10.243 -17.827 -22.427 1.00 3.43 H new ATOM 0 HG3 PRO A 31 8.548 -17.396 -22.530 1.00 3.43 H new ATOM 0 HD2 PRO A 31 10.621 -16.428 -20.617 1.00 62.43 H new ATOM 0 HD3 PRO A 31 9.186 -15.610 -21.201 1.00 62.43 H new ATOM 429 N ARG A 32 9.782 -19.165 -18.095 1.00 71.34 N ATOM 430 CA ARG A 32 10.189 -19.971 -16.951 1.00 20.33 C ATOM 431 C ARG A 32 9.456 -19.530 -15.687 1.00 61.41 C ATOM 432 O ARG A 32 9.993 -18.776 -14.875 1.00 64.55 O ATOM 433 CB ARG A 32 11.701 -19.868 -16.739 1.00 15.21 C ATOM 434 CG ARG A 32 12.515 -20.587 -17.801 1.00 61.34 C ATOM 435 CD ARG A 32 13.609 -21.442 -17.181 1.00 31.32 C ATOM 436 NE ARG A 32 14.822 -20.673 -16.917 1.00 14.45 N ATOM 437 CZ ARG A 32 15.955 -21.213 -16.481 1.00 55.43 C ATOM 438 NH1 ARG A 32 16.030 -22.518 -16.263 1.00 75.21 N ATOM 439 NH2 ARG A 32 17.016 -20.446 -16.264 1.00 73.21 N ATOM 0 H ARG A 32 10.503 -18.533 -18.444 1.00 71.34 H new ATOM 0 HA ARG A 32 9.928 -21.009 -17.158 1.00 20.33 H new ATOM 0 HB2 ARG A 32 11.986 -18.816 -16.725 1.00 15.21 H new ATOM 0 HB3 ARG A 32 11.951 -20.279 -15.761 1.00 15.21 H new ATOM 0 HG2 ARG A 32 11.857 -21.215 -18.402 1.00 61.34 H new ATOM 0 HG3 ARG A 32 12.961 -19.856 -18.476 1.00 61.34 H new ATOM 0 HD2 ARG A 32 13.245 -21.876 -16.250 1.00 31.32 H new ATOM 0 HD3 ARG A 32 13.844 -22.271 -17.849 1.00 31.32 H new ATOM 0 HE ARG A 32 14.798 -19.666 -17.076 1.00 14.45 H new ATOM 0 HH11 ARG A 32 15.217 -23.111 -16.430 1.00 75.21 H new ATOM 0 HH12 ARG A 32 16.901 -22.930 -15.928 1.00 75.21 H new ATOM 0 HH21 ARG A 32 16.962 -19.441 -16.432 1.00 73.21 H new ATOM 0 HH22 ARG A 32 17.886 -20.861 -15.929 1.00 73.21 H new ATOM 453 N LYS A 33 8.225 -20.005 -15.527 1.00 64.11 N ATOM 454 CA LYS A 33 7.418 -19.662 -14.363 1.00 13.42 C ATOM 455 C LYS A 33 7.424 -18.155 -14.122 1.00 31.55 C ATOM 456 O LYS A 33 7.714 -17.695 -13.018 1.00 71.02 O ATOM 457 CB LYS A 33 7.939 -20.390 -13.122 1.00 1.21 C ATOM 458 CG LYS A 33 7.504 -21.843 -13.042 1.00 0.23 C ATOM 459 CD LYS A 33 8.304 -22.608 -12.001 1.00 3.21 C ATOM 460 CE LYS A 33 8.715 -23.981 -12.512 1.00 15.54 C ATOM 461 NZ LYS A 33 10.124 -23.995 -12.993 1.00 13.12 N ATOM 0 H LYS A 33 7.765 -20.629 -16.190 1.00 64.11 H new ATOM 0 HA LYS A 33 6.393 -19.977 -14.557 1.00 13.42 H new ATOM 0 HB2 LYS A 33 9.028 -20.345 -13.115 1.00 1.21 H new ATOM 0 HB3 LYS A 33 7.592 -19.866 -12.231 1.00 1.21 H new ATOM 0 HG2 LYS A 33 6.443 -21.893 -12.796 1.00 0.23 H new ATOM 0 HG3 LYS A 33 7.628 -22.315 -14.017 1.00 0.23 H new ATOM 0 HD2 LYS A 33 9.193 -22.037 -11.732 1.00 3.21 H new ATOM 0 HD3 LYS A 33 7.710 -22.719 -11.094 1.00 3.21 H new ATOM 0 HE2 LYS A 33 8.596 -24.715 -11.715 1.00 15.54 H new ATOM 0 HE3 LYS A 33 8.051 -24.280 -13.323 1.00 15.54 H new ATOM 0 HZ1 LYS A 33 10.365 -24.948 -13.333 1.00 13.12 H new ATOM 0 HZ2 LYS A 33 10.232 -23.313 -13.770 1.00 13.12 H new ATOM 0 HZ3 LYS A 33 10.760 -23.734 -12.212 1.00 13.12 H new ATOM 475 N GLY A 34 7.100 -17.393 -15.161 1.00 44.54 N ATOM 476 CA GLY A 34 7.074 -15.947 -15.041 1.00 13.42 C ATOM 477 C GLY A 34 5.859 -15.331 -15.708 1.00 24.43 C ATOM 478 O GLY A 34 5.982 -14.634 -16.715 1.00 13.13 O ATOM 0 H GLY A 34 6.855 -17.751 -16.084 1.00 44.54 H new ATOM 0 HA2 GLY A 34 7.083 -15.673 -13.986 1.00 13.42 H new ATOM 0 HA3 GLY A 34 7.978 -15.532 -15.486 1.00 13.42 H new ATOM 482 N VAL A 35 4.683 -15.591 -15.147 1.00 33.25 N ATOM 483 CA VAL A 35 3.441 -15.059 -15.694 1.00 14.44 C ATOM 484 C VAL A 35 3.273 -13.584 -15.343 1.00 21.54 C ATOM 485 O VAL A 35 2.569 -13.238 -14.395 1.00 40.34 O ATOM 486 CB VAL A 35 2.219 -15.840 -15.176 1.00 34.31 C ATOM 487 CG1 VAL A 35 2.243 -15.925 -13.657 1.00 71.13 C ATOM 488 CG2 VAL A 35 0.929 -15.195 -15.661 1.00 63.35 C ATOM 0 H VAL A 35 4.564 -16.167 -14.314 1.00 33.25 H new ATOM 0 HA VAL A 35 3.500 -15.168 -16.777 1.00 14.44 H new ATOM 0 HB VAL A 35 2.264 -16.854 -15.574 1.00 34.31 H new ATOM 0 HG11 VAL A 35 1.372 -16.480 -13.310 1.00 71.13 H new ATOM 0 HG12 VAL A 35 3.151 -16.436 -13.335 1.00 71.13 H new ATOM 0 HG13 VAL A 35 2.224 -14.920 -13.236 1.00 71.13 H new ATOM 0 HG21 VAL A 35 0.076 -15.760 -15.285 1.00 63.35 H new ATOM 0 HG22 VAL A 35 0.875 -14.170 -15.295 1.00 63.35 H new ATOM 0 HG23 VAL A 35 0.911 -15.192 -16.751 1.00 63.35 H new ATOM 498 N ASN A 36 3.925 -12.720 -16.114 1.00 22.52 N ATOM 499 CA ASN A 36 3.849 -11.282 -15.884 1.00 73.35 C ATOM 500 C ASN A 36 4.468 -10.912 -14.540 1.00 43.03 C ATOM 501 O ASN A 36 3.784 -10.417 -13.645 1.00 33.52 O ATOM 502 CB ASN A 36 2.393 -10.814 -15.934 1.00 40.31 C ATOM 503 CG ASN A 36 1.683 -11.264 -17.196 1.00 62.42 C ATOM 504 OD1 ASN A 36 1.592 -12.459 -17.477 1.00 64.54 O ATOM 505 ND2 ASN A 36 1.176 -10.307 -17.964 1.00 2.33 N ATOM 0 H ASN A 36 4.512 -12.991 -16.903 1.00 22.52 H new ATOM 0 HA ASN A 36 4.412 -10.783 -16.672 1.00 73.35 H new ATOM 0 HB2 ASN A 36 1.861 -11.199 -15.064 1.00 40.31 H new ATOM 0 HB3 ASN A 36 2.362 -9.726 -15.871 1.00 40.31 H new ATOM 0 HD21 ASN A 36 0.688 -10.550 -18.826 1.00 2.33 H new ATOM 0 HD22 ASN A 36 1.275 -9.329 -17.692 1.00 2.33 H new ATOM 512 N SER A 37 5.768 -11.154 -14.407 1.00 64.53 N ATOM 513 CA SER A 37 6.480 -10.850 -13.172 1.00 3.33 C ATOM 514 C SER A 37 6.806 -9.362 -13.085 1.00 52.32 C ATOM 515 O SER A 37 7.738 -8.879 -13.730 1.00 33.43 O ATOM 516 CB SER A 37 7.768 -11.671 -13.084 1.00 41.04 C ATOM 517 OG SER A 37 7.540 -12.910 -12.436 1.00 73.21 O ATOM 0 H SER A 37 6.350 -11.560 -15.140 1.00 64.53 H new ATOM 0 HA SER A 37 5.833 -11.113 -12.335 1.00 3.33 H new ATOM 0 HB2 SER A 37 8.159 -11.848 -14.086 1.00 41.04 H new ATOM 0 HB3 SER A 37 8.526 -11.107 -12.541 1.00 41.04 H new ATOM 0 HG SER A 37 8.378 -13.416 -12.394 1.00 73.21 H new ATOM 523 N CYS A 38 6.031 -8.639 -12.284 1.00 12.41 N ATOM 524 CA CYS A 38 6.234 -7.205 -12.112 1.00 21.34 C ATOM 525 C CYS A 38 6.891 -6.907 -10.767 1.00 0.11 C ATOM 526 O CYS A 38 6.279 -7.082 -9.713 1.00 63.51 O ATOM 527 CB CYS A 38 4.900 -6.464 -12.216 1.00 1.43 C ATOM 528 SG CYS A 38 3.906 -6.922 -13.672 1.00 31.23 S ATOM 0 H CYS A 38 5.256 -9.023 -11.743 1.00 12.41 H new ATOM 0 HA CYS A 38 6.897 -6.859 -12.905 1.00 21.34 H new ATOM 0 HB2 CYS A 38 4.317 -6.659 -11.316 1.00 1.43 H new ATOM 0 HB3 CYS A 38 5.094 -5.392 -12.244 1.00 1.43 H new ATOM 533 N ARG A 39 8.140 -6.455 -10.812 1.00 51.32 N ATOM 534 CA ARG A 39 8.880 -6.133 -9.598 1.00 43.33 C ATOM 535 C ARG A 39 8.952 -4.623 -9.389 1.00 55.23 C ATOM 536 O ARG A 39 8.890 -3.849 -10.345 1.00 62.35 O ATOM 537 CB ARG A 39 10.293 -6.716 -9.667 1.00 51.12 C ATOM 538 CG ARG A 39 10.840 -7.148 -8.317 1.00 10.15 C ATOM 539 CD ARG A 39 10.487 -8.595 -8.009 1.00 51.24 C ATOM 540 NE ARG A 39 9.156 -8.948 -8.495 1.00 72.42 N ATOM 541 CZ ARG A 39 8.939 -9.625 -9.617 1.00 71.34 C ATOM 542 NH1 ARG A 39 9.960 -10.020 -10.365 1.00 70.03 N ATOM 543 NH2 ARG A 39 7.698 -9.909 -9.993 1.00 63.21 N ATOM 0 H ARG A 39 8.661 -6.304 -11.676 1.00 51.32 H new ATOM 0 HA ARG A 39 8.352 -6.575 -8.753 1.00 43.33 H new ATOM 0 HB2 ARG A 39 10.291 -7.574 -10.340 1.00 51.12 H new ATOM 0 HB3 ARG A 39 10.963 -5.973 -10.100 1.00 51.12 H new ATOM 0 HG2 ARG A 39 11.923 -7.027 -8.307 1.00 10.15 H new ATOM 0 HG3 ARG A 39 10.439 -6.501 -7.537 1.00 10.15 H new ATOM 0 HD2 ARG A 39 11.226 -9.254 -8.465 1.00 51.24 H new ATOM 0 HD3 ARG A 39 10.535 -8.759 -6.932 1.00 51.24 H new ATOM 0 HE ARG A 39 8.349 -8.659 -7.943 1.00 72.42 H new ATOM 0 HH11 ARG A 39 10.915 -9.804 -10.079 1.00 70.03 H new ATOM 0 HH12 ARG A 39 9.790 -10.540 -11.226 1.00 70.03 H new ATOM 0 HH21 ARG A 39 6.910 -9.607 -9.420 1.00 63.21 H new ATOM 0 HH22 ARG A 39 7.533 -10.429 -10.855 1.00 63.21 H new ATOM 557 N CYS A 40 9.081 -4.210 -8.133 1.00 32.11 N ATOM 558 CA CYS A 40 9.159 -2.794 -7.797 1.00 3.30 C ATOM 559 C CYS A 40 10.563 -2.251 -8.051 1.00 31.40 C ATOM 560 O CYS A 40 11.538 -2.732 -7.474 1.00 44.55 O ATOM 561 CB CYS A 40 8.773 -2.573 -6.333 1.00 54.02 C ATOM 562 SG CYS A 40 6.999 -2.249 -6.074 1.00 11.34 S ATOM 0 H CYS A 40 9.134 -4.837 -7.330 1.00 32.11 H new ATOM 0 HA CYS A 40 8.459 -2.256 -8.436 1.00 3.30 H new ATOM 0 HB2 CYS A 40 9.059 -3.452 -5.756 1.00 54.02 H new ATOM 0 HB3 CYS A 40 9.346 -1.733 -5.940 1.00 54.02 H new ATOM 567 N MET A 41 10.656 -1.248 -8.918 1.00 32.15 N ATOM 568 CA MET A 41 11.939 -0.639 -9.247 1.00 25.53 C ATOM 569 C MET A 41 11.745 0.755 -9.833 1.00 44.23 C ATOM 570 O MET A 41 10.835 1.485 -9.438 1.00 62.14 O ATOM 571 CB MET A 41 12.707 -1.519 -10.236 1.00 35.33 C ATOM 572 CG MET A 41 14.153 -1.095 -10.431 1.00 61.21 C ATOM 573 SD MET A 41 14.950 -1.956 -11.801 1.00 2.44 S ATOM 574 CE MET A 41 16.674 -1.804 -11.338 1.00 40.44 C ATOM 0 H MET A 41 9.858 -0.840 -9.405 1.00 32.15 H new ATOM 0 HA MET A 41 12.517 -0.549 -8.327 1.00 25.53 H new ATOM 0 HB2 MET A 41 12.684 -2.551 -9.885 1.00 35.33 H new ATOM 0 HB3 MET A 41 12.198 -1.498 -11.200 1.00 35.33 H new ATOM 0 HG2 MET A 41 14.192 -0.021 -10.610 1.00 61.21 H new ATOM 0 HG3 MET A 41 14.710 -1.285 -9.514 1.00 61.21 H new ATOM 0 HE1 MET A 41 17.297 -2.289 -12.090 1.00 40.44 H new ATOM 0 HE2 MET A 41 16.941 -0.749 -11.271 1.00 40.44 H new ATOM 0 HE3 MET A 41 16.834 -2.281 -10.371 1.00 40.44 H new