USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 587 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 2 MET CE :methyl 151:sc= 0 (180deg=-0.522) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.781 K(o=-0.78,f=-12!) USER MOD Set 2.1: A 37 THR OG1 : rot -58:sc= 1.22 USER MOD Set 2.2: A 40 THR OG1 : rot 75:sc= 2.61 USER MOD Set 2.3: A 41 ASN : amide:sc= -2.2! C(o=1.6!,f=-1.9!) USER MOD Set 3.1: A 23 GLN : amide:sc= -1.19 K(o=-7.5,f=-19!) USER MOD Set 3.2: A 31 HIS : no HD1:sc= -3.33! K(o=-7.5!,f=-8.4) USER MOD Set 3.3: A 33 HIS : +bothHN:sc= -3.02 K(o=-7.5,f=-13!) USER MOD Set 4.1: A 28 GLN : amide:sc= -1.2! C(o=-1.2!,f=-9.9!) USER MOD Set 4.2: A 34 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 16 THR OG1 : rot 127:sc= 0.322 USER MOD Set 5.2: A 18 THR OG1 : rot -150:sc= 1.72 USER MOD Set 5.3: A 20 THR OG1 : rot 68:sc= 1.17 USER MOD Single : A 1 CYS N :NH3+ -153:sc= 1.05 (180deg=0.0549) USER MOD Single : A 5 ASN : amide:sc= -0.619 K(o=-0.62,f=-2.2!) USER MOD Single : A 7 LYS NZ :NH3+ 167:sc=-0.00591 (180deg=-0.148) USER MOD Single : A 9 TYR OH : rot -145:sc= -0.295 USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00617) USER MOD Single : A 15 THR OG1 : rot -88:sc= 0.422 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 1.12 K(o=1.1,f=-3.5!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.01 K(o=-0.01,f=-10!) USER MOD Single : A 64 TYR OH : rot 90:sc= -0.726 USER MOD Single : A 65 THR OG1 : rot -93:sc= 0.247 USER MOD Single : A 66 THR OG1 : rot -63:sc= 0.00505 USER MOD Single : A 67 ASN : amide:sc= -4.02! C(o=-4!,f=-9.8!) USER MOD Single : A 70 LYS NZ :NH3+ -128:sc= 1.17 (180deg=-1.76) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 151:sc= 0.263 USER MOD ----------------------------------------------------------------- ATOM 50 N CYS A 1 5.064 29.952 2.411 1.00 0.00 N ATOM 51 CA CYS A 1 5.999 30.295 3.459 1.00 0.00 C ATOM 52 C CYS A 1 5.327 30.202 4.830 1.00 0.00 C ATOM 53 O CYS A 1 4.111 30.359 4.951 1.00 0.00 O ATOM 54 CB CYS A 1 6.558 31.696 3.204 1.00 0.00 C ATOM 55 SG CYS A 1 5.445 32.790 2.252 1.00 0.00 S ATOM 0 H1 CYS A 1 5.583 29.577 1.592 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.401 29.231 2.760 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.535 30.801 2.127 1.00 0.00 H new ATOM 0 HA CYS A 1 6.827 29.586 3.454 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.778 32.166 4.162 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.503 31.605 2.669 1.00 0.00 H new ATOM 60 N MET A 2 6.122 29.931 5.858 1.00 0.00 N ATOM 61 CA MET A 2 5.589 29.749 7.218 1.00 0.00 C ATOM 62 C MET A 2 5.673 30.996 8.069 1.00 0.00 C ATOM 63 O MET A 2 6.454 31.895 7.813 1.00 0.00 O ATOM 64 CB MET A 2 6.335 28.637 7.950 1.00 0.00 C ATOM 65 CG MET A 2 7.844 28.822 7.931 1.00 0.00 C ATOM 66 SD MET A 2 8.687 27.797 9.143 1.00 0.00 S ATOM 67 CE MET A 2 10.394 28.236 8.824 1.00 0.00 C ATOM 0 H MET A 2 7.134 29.831 5.785 1.00 0.00 H new ATOM 0 HA MET A 2 4.538 29.494 7.081 1.00 0.00 H new ATOM 0 HB2 MET A 2 5.992 28.597 8.984 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.086 27.679 7.494 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.222 28.586 6.936 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.079 29.869 8.121 1.00 0.00 H new ATOM 0 HE1 MET A 2 10.974 28.130 9.740 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.802 27.577 8.058 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.446 29.269 8.479 1.00 0.00 H new ATOM 77 N PHE A 3 4.851 31.019 9.102 1.00 0.00 N ATOM 78 CA PHE A 3 4.831 32.103 10.055 1.00 0.00 C ATOM 79 C PHE A 3 5.290 31.570 11.399 1.00 0.00 C ATOM 80 O PHE A 3 4.528 30.899 12.097 1.00 0.00 O ATOM 81 CB PHE A 3 3.420 32.686 10.171 1.00 0.00 C ATOM 82 CG PHE A 3 2.880 33.252 8.886 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.254 32.432 7.959 1.00 0.00 C ATOM 84 CD2 PHE A 3 2.992 34.603 8.609 1.00 0.00 C ATOM 85 CE1 PHE A 3 1.755 32.949 6.780 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.494 35.128 7.433 1.00 0.00 C ATOM 87 CZ PHE A 3 1.875 34.300 6.517 1.00 0.00 C ATOM 0 H PHE A 3 4.176 30.280 9.301 1.00 0.00 H new ATOM 0 HA PHE A 3 5.498 32.898 9.723 1.00 0.00 H new ATOM 0 HB2 PHE A 3 2.745 31.907 10.524 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.424 33.471 10.927 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.156 31.376 8.162 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.475 35.255 9.322 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.272 32.299 6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.588 36.184 7.230 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.485 34.708 5.596 1.00 0.00 H new ATOM 97 N GLY A 4 6.541 31.821 11.735 1.00 0.00 N ATOM 98 CA GLY A 4 7.091 31.286 12.945 1.00 0.00 C ATOM 99 C GLY A 4 7.526 29.858 12.755 1.00 0.00 C ATOM 100 O GLY A 4 8.394 29.571 11.925 1.00 0.00 O ATOM 0 H GLY A 4 7.185 32.390 11.185 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.942 31.890 13.260 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.349 31.341 13.741 1.00 0.00 H new ATOM 104 N ASN A 5 6.853 28.969 13.474 1.00 0.00 N ATOM 105 CA ASN A 5 7.169 27.546 13.491 1.00 0.00 C ATOM 106 C ASN A 5 6.547 26.851 12.299 1.00 0.00 C ATOM 107 O ASN A 5 6.948 25.755 11.927 1.00 0.00 O ATOM 108 CB ASN A 5 6.619 26.906 14.766 1.00 0.00 C ATOM 109 CG ASN A 5 7.334 27.367 16.019 1.00 0.00 C ATOM 110 OD1 ASN A 5 8.514 27.715 15.988 1.00 0.00 O ATOM 111 ND2 ASN A 5 6.621 27.360 17.131 1.00 0.00 N ATOM 0 H ASN A 5 6.063 29.218 14.069 1.00 0.00 H new ATOM 0 HA ASN A 5 8.253 27.438 13.453 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.558 27.139 14.854 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.701 25.822 14.686 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.046 27.651 18.011 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.645 27.063 17.109 1.00 0.00 H new ATOM 118 N GLY A 6 5.545 27.480 11.710 1.00 0.00 N ATOM 119 CA GLY A 6 4.824 26.838 10.642 1.00 0.00 C ATOM 120 C GLY A 6 3.464 26.382 11.106 1.00 0.00 C ATOM 121 O GLY A 6 2.818 25.554 10.464 1.00 0.00 O ATOM 0 H GLY A 6 5.222 28.417 11.952 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.714 27.529 9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.393 25.983 10.277 1.00 0.00 H new ATOM 125 N LYS A 7 3.034 26.932 12.228 1.00 0.00 N ATOM 126 CA LYS A 7 1.729 26.631 12.780 1.00 0.00 C ATOM 127 C LYS A 7 0.645 27.175 11.853 1.00 0.00 C ATOM 128 O LYS A 7 -0.267 26.453 11.451 1.00 0.00 O ATOM 129 CB LYS A 7 1.623 27.243 14.174 1.00 0.00 C ATOM 130 CG LYS A 7 2.521 26.574 15.205 1.00 0.00 C ATOM 131 CD LYS A 7 2.351 27.196 16.582 1.00 0.00 C ATOM 132 CE LYS A 7 0.982 26.895 17.170 1.00 0.00 C ATOM 133 NZ LYS A 7 0.833 25.456 17.515 1.00 0.00 N ATOM 0 H LYS A 7 3.578 27.596 12.778 1.00 0.00 H new ATOM 0 HA LYS A 7 1.593 25.553 12.864 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.876 28.302 14.117 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.588 27.181 14.511 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.289 25.510 15.254 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.562 26.660 14.892 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.125 26.818 17.250 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.488 28.275 16.513 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.829 27.501 18.063 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.209 27.179 16.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.012 25.327 18.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.733 24.898 16.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.674 25.135 18.037 1.00 0.00 H new ATOM 147 N GLY A 8 0.773 28.446 11.497 1.00 0.00 N ATOM 148 CA GLY A 8 -0.084 29.038 10.503 1.00 0.00 C ATOM 149 C GLY A 8 0.591 29.058 9.149 1.00 0.00 C ATOM 150 O GLY A 8 0.340 29.936 8.332 1.00 0.00 O ATOM 0 H GLY A 8 1.468 29.082 11.889 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.016 28.477 10.440 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.343 30.054 10.799 1.00 0.00 H new ATOM 154 N TYR A 9 1.479 28.098 8.927 1.00 0.00 N ATOM 155 CA TYR A 9 2.095 27.904 7.628 1.00 0.00 C ATOM 156 C TYR A 9 1.053 27.384 6.644 1.00 0.00 C ATOM 157 O TYR A 9 0.682 26.210 6.677 1.00 0.00 O ATOM 158 CB TYR A 9 3.259 26.922 7.757 1.00 0.00 C ATOM 159 CG TYR A 9 3.767 26.373 6.448 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.855 27.169 5.320 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.130 25.042 6.343 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.286 26.652 4.122 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.555 24.513 5.146 1.00 0.00 C ATOM 164 CZ TYR A 9 4.631 25.327 4.036 1.00 0.00 C ATOM 165 OH TYR A 9 5.022 24.811 2.830 1.00 0.00 O ATOM 0 H TYR A 9 1.789 27.437 9.640 1.00 0.00 H new ATOM 0 HA TYR A 9 2.482 28.852 7.255 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.082 27.420 8.270 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.947 26.090 8.388 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.581 28.212 5.382 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.079 24.407 7.215 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.353 27.287 3.251 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.826 23.470 5.077 1.00 0.00 H new ATOM 0 HH TYR A 9 4.716 23.883 2.757 1.00 0.00 H new ATOM 175 N ARG A 10 0.561 28.264 5.789 1.00 0.00 N ATOM 176 CA ARG A 10 -0.498 27.905 4.854 1.00 0.00 C ATOM 177 C ARG A 10 0.077 27.783 3.444 1.00 0.00 C ATOM 178 O ARG A 10 -0.535 28.206 2.465 1.00 0.00 O ATOM 179 CB ARG A 10 -1.615 28.962 4.881 1.00 0.00 C ATOM 180 CG ARG A 10 -1.780 29.669 6.226 1.00 0.00 C ATOM 181 CD ARG A 10 -2.493 28.824 7.279 1.00 0.00 C ATOM 182 NE ARG A 10 -1.838 27.543 7.503 1.00 0.00 N ATOM 183 CZ ARG A 10 -2.152 26.705 8.479 1.00 0.00 C ATOM 184 NH1 ARG A 10 -3.191 26.946 9.267 1.00 0.00 N ATOM 185 NH2 ARG A 10 -1.424 25.616 8.652 1.00 0.00 N ATOM 0 H ARG A 10 0.876 29.232 5.721 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.921 26.945 5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.411 29.709 4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.558 28.484 4.617 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.796 29.949 6.603 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.338 30.593 6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.533 29.377 8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.523 28.652 6.966 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.088 27.273 6.866 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.756 27.783 9.124 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.425 26.294 10.016 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.631 25.429 8.038 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.655 24.962 9.400 1.00 0.00 H new ATOM 199 N GLY A 11 1.262 27.194 3.364 1.00 0.00 N ATOM 200 CA GLY A 11 1.963 27.092 2.099 1.00 0.00 C ATOM 201 C GLY A 11 1.632 25.825 1.342 1.00 0.00 C ATOM 202 O GLY A 11 0.563 25.241 1.532 1.00 0.00 O ATOM 0 H GLY A 11 1.753 26.783 4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.713 27.954 1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.037 27.130 2.281 1.00 0.00 H new ATOM 206 N LYS A 12 2.550 25.385 0.491 1.00 0.00 N ATOM 207 CA LYS A 12 2.280 24.278 -0.401 1.00 0.00 C ATOM 208 C LYS A 12 3.563 23.528 -0.725 1.00 0.00 C ATOM 209 O LYS A 12 3.664 22.866 -1.759 1.00 0.00 O ATOM 210 CB LYS A 12 1.573 24.751 -1.691 1.00 0.00 C ATOM 211 CG LYS A 12 2.216 25.941 -2.400 1.00 0.00 C ATOM 212 CD LYS A 12 1.856 27.273 -1.748 1.00 0.00 C ATOM 213 CE LYS A 12 0.354 27.518 -1.720 1.00 0.00 C ATOM 214 NZ LYS A 12 -0.217 27.683 -3.082 1.00 0.00 N ATOM 0 H LYS A 12 3.486 25.781 0.404 1.00 0.00 H new ATOM 0 HA LYS A 12 1.602 23.594 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.532 23.915 -2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.544 25.011 -1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.299 25.820 -2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.899 25.953 -3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.244 27.292 -0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.344 28.083 -2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.139 26.684 -1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.145 28.411 -1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.235 27.881 -3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.256 28.474 -3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.072 26.809 -3.627 1.00 0.00 H new ATOM 228 N ARG A 13 4.548 23.645 0.158 1.00 0.00 N ATOM 229 CA ARG A 13 5.738 22.829 0.052 1.00 0.00 C ATOM 230 C ARG A 13 5.337 21.401 0.364 1.00 0.00 C ATOM 231 O ARG A 13 4.579 21.155 1.297 1.00 0.00 O ATOM 232 CB ARG A 13 6.832 23.276 1.026 1.00 0.00 C ATOM 233 CG ARG A 13 7.270 24.728 0.894 1.00 0.00 C ATOM 234 CD ARG A 13 8.175 24.972 -0.303 1.00 0.00 C ATOM 235 NE ARG A 13 8.487 26.400 -0.463 1.00 0.00 N ATOM 236 CZ ARG A 13 9.638 26.872 -0.940 1.00 0.00 C ATOM 237 NH1 ARG A 13 10.634 26.042 -1.223 1.00 0.00 N ATOM 238 NH2 ARG A 13 9.795 28.179 -1.118 1.00 0.00 N ATOM 0 H ARG A 13 4.541 24.292 0.946 1.00 0.00 H new ATOM 0 HA ARG A 13 6.148 22.924 -0.954 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.478 23.112 2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.704 22.637 0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.387 25.361 0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.791 25.028 1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.100 24.408 -0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.692 24.601 -1.207 1.00 0.00 H new ATOM 0 HE ARG A 13 7.773 27.076 -0.190 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.520 25.039 -1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.514 26.407 -1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.035 28.820 -0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.676 28.542 -1.483 1.00 0.00 H new ATOM 252 N VAL A 14 5.821 20.476 -0.423 1.00 0.00 N ATOM 253 CA VAL A 14 5.418 19.083 -0.308 1.00 0.00 C ATOM 254 C VAL A 14 6.636 18.191 -0.427 1.00 0.00 C ATOM 255 O VAL A 14 6.593 17.101 -0.993 1.00 0.00 O ATOM 256 CB VAL A 14 4.382 18.724 -1.390 1.00 0.00 C ATOM 257 CG1 VAL A 14 3.017 19.283 -1.023 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.819 19.271 -2.738 1.00 0.00 C ATOM 0 H VAL A 14 6.502 20.657 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 14 4.955 18.929 0.667 1.00 0.00 H new ATOM 0 HB VAL A 14 4.312 17.638 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.296 19.021 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.695 18.862 -0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.079 20.368 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.078 19.010 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.910 20.356 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.782 18.840 -3.010 1.00 0.00 H new ATOM 268 N THR A 15 7.716 18.685 0.139 1.00 0.00 N ATOM 269 CA THR A 15 9.016 18.086 0.018 1.00 0.00 C ATOM 270 C THR A 15 9.800 18.447 1.279 1.00 0.00 C ATOM 271 O THR A 15 9.769 19.598 1.731 1.00 0.00 O ATOM 272 CB THR A 15 9.716 18.607 -1.270 1.00 0.00 C ATOM 273 OG1 THR A 15 9.830 17.563 -2.248 1.00 0.00 O ATOM 274 CG2 THR A 15 11.079 19.215 -0.989 1.00 0.00 C ATOM 0 H THR A 15 7.708 19.532 0.707 1.00 0.00 H new ATOM 0 HA THR A 15 8.952 17.002 -0.071 1.00 0.00 H new ATOM 0 HB THR A 15 9.084 19.401 -1.668 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.665 17.070 -2.105 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.522 19.562 -1.922 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.968 20.057 -0.305 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.727 18.463 -0.537 1.00 0.00 H new ATOM 282 N THR A 16 10.448 17.460 1.865 1.00 0.00 N ATOM 283 CA THR A 16 11.168 17.643 3.114 1.00 0.00 C ATOM 284 C THR A 16 12.468 18.421 2.919 1.00 0.00 C ATOM 285 O THR A 16 12.732 18.948 1.839 1.00 0.00 O ATOM 286 CB THR A 16 11.497 16.279 3.728 1.00 0.00 C ATOM 287 OG1 THR A 16 12.234 15.506 2.777 1.00 0.00 O ATOM 288 CG2 THR A 16 10.231 15.537 4.118 1.00 0.00 C ATOM 0 H THR A 16 10.492 16.511 1.492 1.00 0.00 H new ATOM 0 HA THR A 16 10.522 18.217 3.778 1.00 0.00 H new ATOM 0 HB THR A 16 12.091 16.433 4.629 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.060 15.179 3.191 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.494 14.572 4.551 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.676 16.124 4.850 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.613 15.382 3.233 1.00 0.00 H new ATOM 296 N VAL A 17 13.291 18.474 3.962 1.00 0.00 N ATOM 297 CA VAL A 17 14.599 19.108 3.869 1.00 0.00 C ATOM 298 C VAL A 17 15.490 18.363 2.883 1.00 0.00 C ATOM 299 O VAL A 17 16.437 18.921 2.329 1.00 0.00 O ATOM 300 CB VAL A 17 15.311 19.189 5.232 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.631 20.209 6.134 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.364 17.823 5.905 1.00 0.00 C ATOM 0 H VAL A 17 13.074 18.086 4.880 1.00 0.00 H new ATOM 0 HA VAL A 17 14.425 20.125 3.517 1.00 0.00 H new ATOM 0 HB VAL A 17 16.336 19.516 5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.150 20.251 7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.662 21.191 5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.593 19.917 6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.872 17.910 6.865 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.350 17.456 6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.908 17.125 5.269 1.00 0.00 H new ATOM 312 N THR A 18 15.147 17.109 2.649 1.00 0.00 N ATOM 313 CA THR A 18 15.878 16.259 1.726 1.00 0.00 C ATOM 314 C THR A 18 15.234 16.346 0.356 1.00 0.00 C ATOM 315 O THR A 18 15.777 15.893 -0.653 1.00 0.00 O ATOM 316 CB THR A 18 15.818 14.801 2.201 1.00 0.00 C ATOM 317 OG1 THR A 18 14.468 14.327 2.091 1.00 0.00 O ATOM 318 CG2 THR A 18 16.263 14.696 3.648 1.00 0.00 C ATOM 0 H THR A 18 14.352 16.650 3.094 1.00 0.00 H new ATOM 0 HA THR A 18 16.916 16.589 1.681 1.00 0.00 H new ATOM 0 HB THR A 18 16.483 14.199 1.581 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.302 13.649 2.779 1.00 0.00 H new ATOM 0 HG21 THR A 18 16.214 13.655 3.969 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.287 15.057 3.741 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.607 15.300 4.275 1.00 0.00 H new ATOM 326 N GLY A 19 14.066 16.960 0.345 1.00 0.00 N ATOM 327 CA GLY A 19 13.258 17.018 -0.845 1.00 0.00 C ATOM 328 C GLY A 19 12.432 15.771 -1.035 1.00 0.00 C ATOM 329 O GLY A 19 11.851 15.570 -2.101 1.00 0.00 O ATOM 0 H GLY A 19 13.659 17.427 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.598 17.884 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.902 17.161 -1.713 1.00 0.00 H new ATOM 333 N THR A 20 12.364 14.932 -0.006 1.00 0.00 N ATOM 334 CA THR A 20 11.495 13.775 -0.052 1.00 0.00 C ATOM 335 C THR A 20 10.044 14.228 0.043 1.00 0.00 C ATOM 336 O THR A 20 9.669 14.912 0.990 1.00 0.00 O ATOM 337 CB THR A 20 11.810 12.794 1.090 1.00 0.00 C ATOM 338 OG1 THR A 20 13.148 12.291 0.952 1.00 0.00 O ATOM 339 CG2 THR A 20 10.825 11.639 1.093 1.00 0.00 C ATOM 0 H THR A 20 12.896 15.035 0.858 1.00 0.00 H new ATOM 0 HA THR A 20 11.662 13.257 -0.996 1.00 0.00 H new ATOM 0 HB THR A 20 11.722 13.329 2.036 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.788 13.018 1.103 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.066 10.957 1.909 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.814 12.023 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.887 11.106 0.144 1.00 0.00 H new ATOM 347 N PRO A 21 9.226 13.898 -0.967 1.00 0.00 N ATOM 348 CA PRO A 21 7.811 14.271 -0.993 1.00 0.00 C ATOM 349 C PRO A 21 7.069 13.901 0.275 1.00 0.00 C ATOM 350 O PRO A 21 7.208 12.791 0.800 1.00 0.00 O ATOM 351 CB PRO A 21 7.260 13.457 -2.145 1.00 0.00 C ATOM 352 CG PRO A 21 8.407 13.309 -3.068 1.00 0.00 C ATOM 353 CD PRO A 21 9.611 13.149 -2.178 1.00 0.00 C ATOM 0 HA PRO A 21 7.693 15.350 -1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.893 12.488 -1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.424 13.964 -2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.280 12.444 -3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.508 14.181 -3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.814 12.101 -1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.511 13.558 -2.638 1.00 0.00 H new ATOM 361 N CYS A 22 6.283 14.837 0.756 1.00 0.00 N ATOM 362 CA CYS A 22 5.444 14.601 1.908 1.00 0.00 C ATOM 363 C CYS A 22 4.244 13.755 1.528 1.00 0.00 C ATOM 364 O CYS A 22 3.683 13.884 0.436 1.00 0.00 O ATOM 365 CB CYS A 22 4.983 15.921 2.517 1.00 0.00 C ATOM 366 SG CYS A 22 6.354 16.984 3.061 1.00 0.00 S ATOM 0 H CYS A 22 6.207 15.775 0.364 1.00 0.00 H new ATOM 0 HA CYS A 22 6.031 14.061 2.651 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.383 16.461 1.784 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.335 15.713 3.368 1.00 0.00 H new ATOM 371 N GLN A 23 3.891 12.871 2.429 1.00 0.00 N ATOM 372 CA GLN A 23 2.709 12.056 2.315 1.00 0.00 C ATOM 373 C GLN A 23 1.498 12.905 2.562 1.00 0.00 C ATOM 374 O GLN A 23 1.598 13.999 3.117 1.00 0.00 O ATOM 375 CB GLN A 23 2.738 10.980 3.380 1.00 0.00 C ATOM 376 CG GLN A 23 1.724 9.874 3.194 1.00 0.00 C ATOM 377 CD GLN A 23 1.862 8.853 4.283 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.666 7.953 4.168 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.037 8.940 5.312 1.00 0.00 N ATOM 0 H GLN A 23 4.428 12.695 3.278 1.00 0.00 H new ATOM 0 HA GLN A 23 2.675 11.613 1.320 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.735 10.539 3.404 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.572 11.446 4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.717 10.290 3.202 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.866 9.401 2.222 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.375 9.714 5.371 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.062 8.233 6.047 1.00 0.00 H new ATOM 388 N ASP A 24 0.355 12.376 2.215 1.00 0.00 N ATOM 389 CA ASP A 24 -0.871 13.057 2.497 1.00 0.00 C ATOM 390 C ASP A 24 -1.141 12.862 3.963 1.00 0.00 C ATOM 391 O ASP A 24 -1.112 11.731 4.459 1.00 0.00 O ATOM 392 CB ASP A 24 -2.031 12.503 1.667 1.00 0.00 C ATOM 393 CG ASP A 24 -1.870 12.747 0.181 1.00 0.00 C ATOM 394 OD1 ASP A 24 -2.282 13.824 -0.296 1.00 0.00 O ATOM 395 OD2 ASP A 24 -1.352 11.853 -0.523 1.00 0.00 O ATOM 0 H ASP A 24 0.252 11.480 1.739 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.783 14.113 2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.118 11.431 1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.962 12.959 2.005 1.00 0.00 H new ATOM 400 N TRP A 25 -1.345 13.954 4.668 1.00 0.00 N ATOM 401 CA TRP A 25 -1.716 13.894 6.072 1.00 0.00 C ATOM 402 C TRP A 25 -2.951 13.027 6.218 1.00 0.00 C ATOM 403 O TRP A 25 -3.164 12.375 7.236 1.00 0.00 O ATOM 404 CB TRP A 25 -1.991 15.294 6.602 1.00 0.00 C ATOM 405 CG TRP A 25 -0.889 16.254 6.304 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.766 17.017 5.191 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.243 16.558 7.124 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.370 17.764 5.263 1.00 0.00 N ATOM 409 CE2 TRP A 25 1.004 17.514 6.444 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.680 16.119 8.366 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.182 18.040 6.966 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.846 16.639 8.892 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.583 17.593 8.194 1.00 0.00 C ATOM 0 H TRP A 25 -1.261 14.899 4.293 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.897 13.463 6.649 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.918 15.666 6.166 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.142 15.246 7.680 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.466 17.031 4.368 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.696 18.411 4.545 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.115 15.380 8.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.758 18.774 6.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.191 16.301 9.858 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.488 17.987 8.631 1.00 0.00 H new ATOM 424 N ALA A 26 -3.748 13.032 5.163 1.00 0.00 N ATOM 425 CA ALA A 26 -4.948 12.218 5.083 1.00 0.00 C ATOM 426 C ALA A 26 -4.651 10.739 4.791 1.00 0.00 C ATOM 427 O ALA A 26 -5.470 9.876 5.116 1.00 0.00 O ATOM 428 CB ALA A 26 -5.888 12.785 4.029 1.00 0.00 C ATOM 0 H ALA A 26 -3.580 13.603 4.335 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.424 12.253 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.786 12.170 3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.163 13.805 4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.389 12.787 3.060 1.00 0.00 H new ATOM 434 N ALA A 27 -3.487 10.419 4.206 1.00 0.00 N ATOM 435 CA ALA A 27 -3.238 9.069 3.765 1.00 0.00 C ATOM 436 C ALA A 27 -2.433 8.353 4.816 1.00 0.00 C ATOM 437 O ALA A 27 -1.660 8.967 5.516 1.00 0.00 O ATOM 438 CB ALA A 27 -2.499 9.073 2.435 1.00 0.00 C ATOM 0 H ALA A 27 -2.725 11.075 4.036 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.186 8.551 3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.319 8.046 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.102 9.585 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.546 9.590 2.550 1.00 0.00 H new ATOM 444 N GLN A 28 -2.607 7.063 4.908 1.00 0.00 N ATOM 445 CA GLN A 28 -1.905 6.246 5.869 1.00 0.00 C ATOM 446 C GLN A 28 -0.858 5.517 5.086 1.00 0.00 C ATOM 447 O GLN A 28 -0.500 4.377 5.373 1.00 0.00 O ATOM 448 CB GLN A 28 -2.864 5.232 6.499 1.00 0.00 C ATOM 449 CG GLN A 28 -4.055 5.859 7.188 1.00 0.00 C ATOM 450 CD GLN A 28 -3.635 6.743 8.330 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.468 6.277 9.447 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.455 8.022 8.060 1.00 0.00 N ATOM 0 H GLN A 28 -3.248 6.540 4.311 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.479 6.848 6.671 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.221 4.554 5.723 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.315 4.628 7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.627 6.443 6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.715 5.075 7.558 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.606 8.369 7.113 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.165 8.663 8.798 1.00 0.00 H new ATOM 461 N GLU A 29 -0.403 6.193 4.055 1.00 0.00 N ATOM 462 CA GLU A 29 0.188 5.511 2.952 1.00 0.00 C ATOM 463 C GLU A 29 1.303 6.283 2.269 1.00 0.00 C ATOM 464 O GLU A 29 1.087 7.386 1.783 1.00 0.00 O ATOM 465 CB GLU A 29 -0.933 5.235 1.980 1.00 0.00 C ATOM 466 CG GLU A 29 -1.819 4.071 2.376 1.00 0.00 C ATOM 467 CD GLU A 29 -2.668 3.574 1.228 1.00 0.00 C ATOM 468 OE1 GLU A 29 -2.178 2.741 0.442 1.00 0.00 O ATOM 469 OE2 GLU A 29 -3.831 4.012 1.103 1.00 0.00 O ATOM 0 H GLU A 29 -0.436 7.209 3.968 1.00 0.00 H new ATOM 0 HA GLU A 29 0.667 4.601 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.547 6.130 1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.507 5.036 0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.198 3.255 2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.467 4.375 3.198 1.00 0.00 H new ATOM 476 N PRO A 30 2.507 5.687 2.181 1.00 0.00 N ATOM 477 CA PRO A 30 2.785 4.344 2.704 1.00 0.00 C ATOM 478 C PRO A 30 3.182 4.349 4.182 1.00 0.00 C ATOM 479 O PRO A 30 3.906 3.471 4.649 1.00 0.00 O ATOM 480 CB PRO A 30 3.957 3.894 1.839 1.00 0.00 C ATOM 481 CG PRO A 30 4.702 5.149 1.526 1.00 0.00 C ATOM 482 CD PRO A 30 3.689 6.268 1.519 1.00 0.00 C ATOM 0 HA PRO A 30 1.911 3.695 2.660 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.588 3.180 2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.612 3.401 0.930 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.477 5.334 2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.200 5.072 0.559 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.057 7.142 2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.459 6.591 0.504 1.00 0.00 H new ATOM 490 N HIS A 31 2.713 5.350 4.906 1.00 0.00 N ATOM 491 CA HIS A 31 2.993 5.486 6.324 1.00 0.00 C ATOM 492 C HIS A 31 1.681 5.689 7.043 1.00 0.00 C ATOM 493 O HIS A 31 1.033 6.736 6.906 1.00 0.00 O ATOM 494 CB HIS A 31 3.952 6.660 6.595 1.00 0.00 C ATOM 495 CG HIS A 31 5.308 6.470 5.987 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.531 6.520 4.632 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.510 6.205 6.551 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.803 6.285 4.384 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.425 6.093 5.532 1.00 0.00 N ATOM 0 H HIS A 31 2.126 6.093 4.526 1.00 0.00 H new ATOM 0 HA HIS A 31 3.486 4.585 6.688 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.512 7.577 6.204 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.059 6.791 7.672 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.712 6.101 7.607 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.260 6.255 3.406 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.419 5.895 5.644 1.00 0.00 H new ATOM 508 N ARG A 32 1.257 4.681 7.770 1.00 0.00 N ATOM 509 CA ARG A 32 -0.039 4.716 8.374 1.00 0.00 C ATOM 510 C ARG A 32 0.051 5.577 9.629 1.00 0.00 C ATOM 511 O ARG A 32 0.873 5.320 10.507 1.00 0.00 O ATOM 512 CB ARG A 32 -0.512 3.278 8.662 1.00 0.00 C ATOM 513 CG ARG A 32 -1.638 3.164 9.672 1.00 0.00 C ATOM 514 CD ARG A 32 -1.080 3.066 11.076 1.00 0.00 C ATOM 515 NE ARG A 32 -0.594 1.725 11.392 1.00 0.00 N ATOM 516 CZ ARG A 32 -0.153 1.367 12.595 1.00 0.00 C ATOM 517 NH1 ARG A 32 -0.086 2.265 13.571 1.00 0.00 N ATOM 518 NH2 ARG A 32 0.230 0.114 12.820 1.00 0.00 N ATOM 0 H ARG A 32 1.794 3.833 7.952 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.782 5.159 7.711 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.837 2.824 7.726 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.338 2.697 9.020 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.294 4.031 9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.244 2.285 9.453 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.265 3.781 11.190 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.853 3.347 11.791 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.593 1.025 10.650 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.373 3.229 13.398 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.252 1.991 14.494 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.186 -0.575 12.069 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.568 -0.158 13.743 1.00 0.00 H new ATOM 532 N HIS A 33 -0.754 6.617 9.696 1.00 0.00 N ATOM 533 CA HIS A 33 -0.672 7.557 10.807 1.00 0.00 C ATOM 534 C HIS A 33 -2.036 8.182 11.091 1.00 0.00 C ATOM 535 O HIS A 33 -2.470 9.125 10.430 1.00 0.00 O ATOM 536 CB HIS A 33 0.368 8.652 10.518 1.00 0.00 C ATOM 537 CG HIS A 33 -0.007 9.517 9.363 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.171 10.869 9.454 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.320 9.194 8.110 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.574 11.350 8.304 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.667 10.354 7.462 1.00 0.00 N ATOM 0 H HIS A 33 -1.469 6.836 9.003 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.356 7.005 11.692 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.491 9.273 11.406 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.333 8.186 10.318 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -0.004 11.423 10.294 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.304 8.203 7.682 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.791 12.386 8.089 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.951 10.427 6.485 1.00 0.00 H new ATOM 550 N SER A 34 -2.725 7.631 12.053 1.00 0.00 N ATOM 551 CA SER A 34 -3.973 8.219 12.528 1.00 0.00 C ATOM 552 C SER A 34 -3.678 9.406 13.453 1.00 0.00 C ATOM 553 O SER A 34 -4.392 9.659 14.426 1.00 0.00 O ATOM 554 CB SER A 34 -4.810 7.164 13.251 1.00 0.00 C ATOM 555 OG SER A 34 -4.994 6.022 12.430 1.00 0.00 O ATOM 0 H SER A 34 -2.452 6.773 12.532 1.00 0.00 H new ATOM 0 HA SER A 34 -4.543 8.583 11.673 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.317 6.875 14.179 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.779 7.584 13.521 1.00 0.00 H new ATOM 0 HG SER A 34 -5.531 5.357 12.910 1.00 0.00 H new ATOM 561 N ILE A 35 -2.614 10.132 13.122 1.00 0.00 N ATOM 562 CA ILE A 35 -2.111 11.221 13.912 1.00 0.00 C ATOM 563 C ILE A 35 -1.624 12.281 12.957 1.00 0.00 C ATOM 564 O ILE A 35 -1.062 11.955 11.902 1.00 0.00 O ATOM 565 CB ILE A 35 -0.958 10.791 14.846 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.138 10.095 14.039 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.470 9.888 15.961 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.332 9.664 14.866 1.00 0.00 C ATOM 0 H ILE A 35 -2.073 9.965 12.273 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.910 11.591 14.555 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.535 11.682 15.310 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.287 9.219 13.549 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.478 10.768 13.252 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.640 9.599 16.605 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.216 10.423 16.549 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.921 8.995 15.528 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.065 9.178 14.222 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.784 10.538 15.335 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.007 8.965 15.637 1.00 0.00 H new ATOM 580 N PHE A 36 -1.841 13.524 13.317 1.00 0.00 N ATOM 581 CA PHE A 36 -1.527 14.641 12.469 1.00 0.00 C ATOM 582 C PHE A 36 -2.105 14.463 11.070 1.00 0.00 C ATOM 583 O PHE A 36 -1.411 14.559 10.058 1.00 0.00 O ATOM 584 CB PHE A 36 -0.022 14.892 12.452 1.00 0.00 C ATOM 585 CG PHE A 36 0.571 14.958 13.836 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.357 16.061 14.643 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.336 13.913 14.331 1.00 0.00 C ATOM 588 CE1 PHE A 36 0.892 16.124 15.916 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.875 13.970 15.603 1.00 0.00 C ATOM 590 CZ PHE A 36 1.654 15.077 16.396 1.00 0.00 C ATOM 0 H PHE A 36 -2.244 13.787 14.216 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.001 15.531 12.883 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.468 14.098 11.888 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.181 15.827 11.929 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.236 16.884 14.273 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.513 13.044 13.715 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.714 16.991 16.535 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.469 13.148 15.976 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.076 15.125 17.389 1.00 0.00 H new ATOM 600 N THR A 37 -3.389 14.159 11.052 1.00 0.00 N ATOM 601 CA THR A 37 -4.179 14.155 9.837 1.00 0.00 C ATOM 602 C THR A 37 -4.972 15.459 9.754 1.00 0.00 C ATOM 603 O THR A 37 -4.942 16.261 10.691 1.00 0.00 O ATOM 604 CB THR A 37 -5.178 12.978 9.823 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.225 13.224 10.773 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.487 11.667 10.159 1.00 0.00 C ATOM 0 H THR A 37 -3.917 13.906 11.887 1.00 0.00 H new ATOM 0 HA THR A 37 -3.501 14.053 8.990 1.00 0.00 H new ATOM 0 HB THR A 37 -5.597 12.898 8.820 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.837 13.340 11.665 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.216 10.857 10.141 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.706 11.469 9.425 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.043 11.734 11.152 1.00 0.00 H new ATOM 614 N PRO A 38 -5.708 15.692 8.659 1.00 0.00 N ATOM 615 CA PRO A 38 -6.618 16.832 8.568 1.00 0.00 C ATOM 616 C PRO A 38 -7.758 16.731 9.576 1.00 0.00 C ATOM 617 O PRO A 38 -8.376 17.732 9.936 1.00 0.00 O ATOM 618 CB PRO A 38 -7.186 16.741 7.150 1.00 0.00 C ATOM 619 CG PRO A 38 -6.255 15.847 6.405 1.00 0.00 C ATOM 620 CD PRO A 38 -5.696 14.899 7.421 1.00 0.00 C ATOM 0 HA PRO A 38 -6.104 17.770 8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.198 16.335 7.158 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.241 17.725 6.685 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.779 15.309 5.615 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.461 16.421 5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.306 14.000 7.512 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.689 14.576 7.159 1.00 0.00 H new ATOM 628 N GLU A 39 -8.027 15.518 10.047 1.00 0.00 N ATOM 629 CA GLU A 39 -9.202 15.280 10.867 1.00 0.00 C ATOM 630 C GLU A 39 -8.846 15.224 12.342 1.00 0.00 C ATOM 631 O GLU A 39 -9.687 15.482 13.202 1.00 0.00 O ATOM 632 CB GLU A 39 -9.901 13.998 10.420 1.00 0.00 C ATOM 633 CG GLU A 39 -10.447 14.094 9.004 1.00 0.00 C ATOM 634 CD GLU A 39 -11.167 12.844 8.558 1.00 0.00 C ATOM 635 OE1 GLU A 39 -12.123 12.429 9.239 1.00 0.00 O ATOM 636 OE2 GLU A 39 -10.785 12.276 7.512 1.00 0.00 O ATOM 0 H GLU A 39 -7.451 14.694 9.875 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.889 16.116 10.733 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.199 13.166 10.479 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.718 13.776 11.106 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.130 14.941 8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.625 14.297 8.317 1.00 0.00 H new ATOM 643 N THR A 40 -7.597 14.910 12.642 1.00 0.00 N ATOM 644 CA THR A 40 -7.147 14.886 14.018 1.00 0.00 C ATOM 645 C THR A 40 -6.611 16.254 14.404 1.00 0.00 C ATOM 646 O THR A 40 -6.518 16.595 15.586 1.00 0.00 O ATOM 647 CB THR A 40 -6.063 13.814 14.236 1.00 0.00 C ATOM 648 OG1 THR A 40 -5.011 13.981 13.278 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.652 12.415 14.114 1.00 0.00 C ATOM 0 H THR A 40 -6.883 14.670 11.954 1.00 0.00 H new ATOM 0 HA THR A 40 -7.998 14.634 14.651 1.00 0.00 H new ATOM 0 HB THR A 40 -5.660 13.934 15.242 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.457 14.749 13.531 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.867 11.675 14.272 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.432 12.282 14.863 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.078 12.285 13.119 1.00 0.00 H new ATOM 657 N ASN A 41 -6.280 17.047 13.389 1.00 0.00 N ATOM 658 CA ASN A 41 -5.732 18.379 13.604 1.00 0.00 C ATOM 659 C ASN A 41 -6.377 19.389 12.666 1.00 0.00 C ATOM 660 O ASN A 41 -5.699 20.021 11.860 1.00 0.00 O ATOM 661 CB ASN A 41 -4.223 18.365 13.374 1.00 0.00 C ATOM 662 CG ASN A 41 -3.510 17.425 14.307 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.420 16.225 14.057 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.986 17.972 15.380 1.00 0.00 N ATOM 0 H ASN A 41 -6.383 16.788 12.408 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.944 18.672 14.632 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.018 18.075 12.344 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.829 19.373 13.506 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.477 17.395 16.050 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.088 18.974 15.543 1.00 0.00 H new ATOM 671 N PRO A 42 -7.693 19.603 12.784 1.00 0.00 N ATOM 672 CA PRO A 42 -8.421 20.496 11.882 1.00 0.00 C ATOM 673 C PRO A 42 -8.122 21.967 12.170 1.00 0.00 C ATOM 674 O PRO A 42 -8.755 22.868 11.618 1.00 0.00 O ATOM 675 CB PRO A 42 -9.888 20.172 12.168 1.00 0.00 C ATOM 676 CG PRO A 42 -9.911 19.651 13.565 1.00 0.00 C ATOM 677 CD PRO A 42 -8.567 19.014 13.814 1.00 0.00 C ATOM 0 HA PRO A 42 -8.141 20.349 10.839 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.513 21.059 12.069 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.271 19.432 11.466 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.094 20.457 14.275 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.713 18.924 13.694 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.203 19.232 14.818 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.617 17.929 13.721 1.00 0.00 H new ATOM 685 N ARG A 43 -7.139 22.197 13.031 1.00 0.00 N ATOM 686 CA ARG A 43 -6.777 23.537 13.451 1.00 0.00 C ATOM 687 C ARG A 43 -5.409 23.942 12.909 1.00 0.00 C ATOM 688 O ARG A 43 -5.031 25.112 12.974 1.00 0.00 O ATOM 689 CB ARG A 43 -6.759 23.592 14.970 1.00 0.00 C ATOM 690 CG ARG A 43 -5.655 22.747 15.577 1.00 0.00 C ATOM 691 CD ARG A 43 -5.936 22.444 17.035 1.00 0.00 C ATOM 692 NE ARG A 43 -4.757 21.930 17.726 1.00 0.00 N ATOM 693 CZ ARG A 43 -4.254 22.475 18.833 1.00 0.00 C ATOM 694 NH1 ARG A 43 -4.814 23.558 19.360 1.00 0.00 N ATOM 695 NH2 ARG A 43 -3.180 21.951 19.404 1.00 0.00 N ATOM 0 H ARG A 43 -6.574 21.460 13.454 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.515 24.234 13.054 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.636 24.627 15.290 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.722 23.253 15.353 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.560 21.814 15.021 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.703 23.270 15.488 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.281 23.350 17.533 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.743 21.715 17.104 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.293 21.108 17.340 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.632 23.976 18.917 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.426 23.972 20.208 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.736 21.128 18.996 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.797 22.370 20.251 1.00 0.00 H new ATOM 709 N ALA A 44 -4.658 22.980 12.379 1.00 0.00 N ATOM 710 CA ALA A 44 -3.331 23.271 11.871 1.00 0.00 C ATOM 711 C ALA A 44 -3.347 23.301 10.356 1.00 0.00 C ATOM 712 O ALA A 44 -2.304 23.379 9.711 1.00 0.00 O ATOM 713 CB ALA A 44 -2.313 22.273 12.399 1.00 0.00 C ATOM 0 H ALA A 44 -4.946 22.005 12.293 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.030 24.256 12.227 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.327 22.515 12.002 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.288 22.320 13.488 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.593 21.267 12.086 1.00 0.00 H new ATOM 719 N GLY A 45 -4.555 23.234 9.810 1.00 0.00 N ATOM 720 CA GLY A 45 -4.764 23.401 8.381 1.00 0.00 C ATOM 721 C GLY A 45 -4.058 22.359 7.545 1.00 0.00 C ATOM 722 O GLY A 45 -3.436 22.686 6.538 1.00 0.00 O ATOM 0 H GLY A 45 -5.409 23.064 10.341 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.833 23.362 8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.417 24.391 8.084 1.00 0.00 H new ATOM 726 N LEU A 46 -4.150 21.107 7.956 1.00 0.00 N ATOM 727 CA LEU A 46 -3.495 20.026 7.239 1.00 0.00 C ATOM 728 C LEU A 46 -4.312 19.609 6.024 1.00 0.00 C ATOM 729 O LEU A 46 -5.258 18.836 6.129 1.00 0.00 O ATOM 730 CB LEU A 46 -3.254 18.828 8.159 1.00 0.00 C ATOM 731 CG LEU A 46 -2.356 19.116 9.366 1.00 0.00 C ATOM 732 CD1 LEU A 46 -3.158 19.680 10.508 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.611 17.875 9.813 1.00 0.00 C ATOM 0 H LEU A 46 -4.671 20.813 8.782 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.528 20.391 6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.217 18.464 8.519 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.807 18.023 7.575 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.620 19.858 9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.499 19.876 11.354 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.633 20.610 10.195 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.924 18.963 10.804 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.984 18.116 10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.327 17.102 10.093 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.986 17.512 8.997 1.00 0.00 H new ATOM 745 N GLU A 47 -3.949 20.148 4.876 1.00 0.00 N ATOM 746 CA GLU A 47 -4.595 19.818 3.632 1.00 0.00 C ATOM 747 C GLU A 47 -3.634 19.043 2.747 1.00 0.00 C ATOM 748 O GLU A 47 -2.455 19.396 2.651 1.00 0.00 O ATOM 749 CB GLU A 47 -5.049 21.104 2.942 1.00 0.00 C ATOM 750 CG GLU A 47 -4.067 22.252 3.115 1.00 0.00 C ATOM 751 CD GLU A 47 -4.503 23.522 2.419 1.00 0.00 C ATOM 752 OE1 GLU A 47 -5.552 24.084 2.795 1.00 0.00 O ATOM 753 OE2 GLU A 47 -3.787 23.976 1.501 1.00 0.00 O ATOM 0 H GLU A 47 -3.195 20.829 4.786 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.468 19.194 3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.188 20.909 1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.019 21.400 3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.939 22.454 4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.094 21.950 2.728 1.00 0.00 H new ATOM 760 N LYS A 48 -4.133 17.972 2.142 1.00 0.00 N ATOM 761 CA LYS A 48 -3.369 17.183 1.180 1.00 0.00 C ATOM 762 C LYS A 48 -2.055 16.680 1.769 1.00 0.00 C ATOM 763 O LYS A 48 -2.058 15.931 2.746 1.00 0.00 O ATOM 764 CB LYS A 48 -3.113 17.999 -0.084 1.00 0.00 C ATOM 765 CG LYS A 48 -4.394 18.431 -0.783 1.00 0.00 C ATOM 766 CD LYS A 48 -5.316 17.249 -1.034 1.00 0.00 C ATOM 767 CE LYS A 48 -6.752 17.697 -1.253 1.00 0.00 C ATOM 768 NZ LYS A 48 -6.915 18.492 -2.499 1.00 0.00 N ATOM 0 H LYS A 48 -5.078 17.625 2.304 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.964 16.306 0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.530 18.883 0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.510 17.409 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.910 19.173 -0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.149 18.911 -1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.970 16.695 -1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.273 16.566 -0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.400 16.822 -1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.078 18.293 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.911 18.774 -2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.318 19.342 -2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.630 17.917 -3.317 1.00 0.00 H new ATOM 782 N ASN A 49 -0.938 17.100 1.186 1.00 0.00 N ATOM 783 CA ASN A 49 0.369 16.697 1.673 1.00 0.00 C ATOM 784 C ASN A 49 1.281 17.906 1.839 1.00 0.00 C ATOM 785 O ASN A 49 2.491 17.767 1.994 1.00 0.00 O ATOM 786 CB ASN A 49 1.010 15.672 0.731 1.00 0.00 C ATOM 787 CG ASN A 49 1.379 16.233 -0.631 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.698 17.108 -1.172 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.475 15.737 -1.191 1.00 0.00 N ATOM 0 H ASN A 49 -0.915 17.719 0.376 1.00 0.00 H new ATOM 0 HA ASN A 49 0.234 16.230 2.649 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.907 15.271 1.203 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.321 14.838 0.595 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.782 16.079 -2.102 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.011 15.014 -0.711 1.00 0.00 H new ATOM 796 N TYR A 50 0.686 19.095 1.807 1.00 0.00 N ATOM 797 CA TYR A 50 1.447 20.337 2.002 1.00 0.00 C ATOM 798 C TYR A 50 1.983 20.381 3.423 1.00 0.00 C ATOM 799 O TYR A 50 1.235 20.137 4.364 1.00 0.00 O ATOM 800 CB TYR A 50 0.575 21.574 1.778 1.00 0.00 C ATOM 801 CG TYR A 50 -0.315 21.511 0.562 1.00 0.00 C ATOM 802 CD1 TYR A 50 0.203 21.546 -0.724 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.686 21.426 0.712 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.628 21.496 -1.826 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.524 21.376 -0.375 1.00 0.00 C ATOM 806 CZ TYR A 50 -1.992 21.411 -1.647 1.00 0.00 C ATOM 807 OH TYR A 50 -2.825 21.367 -2.741 1.00 0.00 O ATOM 0 H TYR A 50 -0.313 19.230 1.650 1.00 0.00 H new ATOM 0 HA TYR A 50 2.260 20.345 1.276 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.048 21.726 2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.223 22.446 1.692 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.272 21.613 -0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.108 21.398 1.706 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.212 21.523 -2.822 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.593 21.310 -0.235 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.756 21.307 -2.441 1.00 0.00 H new ATOM 817 N CYS A 51 3.258 20.714 3.575 1.00 0.00 N ATOM 818 CA CYS A 51 3.912 20.687 4.875 1.00 0.00 C ATOM 819 C CYS A 51 3.164 21.529 5.904 1.00 0.00 C ATOM 820 O CYS A 51 2.524 22.524 5.561 1.00 0.00 O ATOM 821 CB CYS A 51 5.346 21.177 4.741 1.00 0.00 C ATOM 822 SG CYS A 51 6.365 20.147 3.649 1.00 0.00 S ATOM 0 H CYS A 51 3.863 21.008 2.808 1.00 0.00 H new ATOM 0 HA CYS A 51 3.909 19.656 5.229 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.338 22.198 4.361 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.804 21.208 5.729 1.00 0.00 H new ATOM 827 N ARG A 52 3.252 21.124 7.165 1.00 0.00 N ATOM 828 CA ARG A 52 2.515 21.772 8.248 1.00 0.00 C ATOM 829 C ARG A 52 3.254 21.577 9.558 1.00 0.00 C ATOM 830 O ARG A 52 4.125 20.718 9.657 1.00 0.00 O ATOM 831 CB ARG A 52 1.105 21.178 8.370 1.00 0.00 C ATOM 832 CG ARG A 52 0.186 21.529 7.214 1.00 0.00 C ATOM 833 CD ARG A 52 -0.339 22.953 7.329 1.00 0.00 C ATOM 834 NE ARG A 52 -0.260 23.718 6.073 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.714 23.301 4.879 1.00 0.00 C ATOM 836 NH1 ARG A 52 -1.233 22.086 4.731 1.00 0.00 N ATOM 837 NH2 ARG A 52 -0.638 24.105 3.829 1.00 0.00 N ATOM 0 H ARG A 52 3.832 20.341 7.467 1.00 0.00 H new ATOM 0 HA ARG A 52 2.434 22.836 8.024 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.184 20.093 8.442 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.654 21.527 9.299 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.724 21.414 6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.652 20.832 7.190 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.377 22.922 7.660 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.226 23.478 8.099 1.00 0.00 H new ATOM 0 HE ARG A 52 0.175 24.640 6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.291 21.455 5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.573 21.785 3.818 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.236 25.037 3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.982 23.792 2.921 1.00 0.00 H new ATOM 851 N ASN A 53 2.932 22.377 10.559 1.00 0.00 N ATOM 852 CA ASN A 53 3.460 22.138 11.884 1.00 0.00 C ATOM 853 C ASN A 53 2.323 22.044 12.897 1.00 0.00 C ATOM 854 O ASN A 53 2.024 23.014 13.595 1.00 0.00 O ATOM 855 CB ASN A 53 4.429 23.243 12.291 1.00 0.00 C ATOM 856 CG ASN A 53 5.424 22.762 13.317 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.202 21.745 13.977 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.499 23.509 13.490 1.00 0.00 N ATOM 0 H ASN A 53 2.316 23.186 10.479 1.00 0.00 H new ATOM 0 HA ASN A 53 4.002 21.193 11.867 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.960 23.604 11.410 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.870 24.087 12.694 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.190 23.253 14.195 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.638 24.342 12.919 1.00 0.00 H new ATOM 865 N PRO A 54 1.665 20.869 12.992 1.00 0.00 N ATOM 866 CA PRO A 54 0.582 20.645 13.951 1.00 0.00 C ATOM 867 C PRO A 54 1.069 20.721 15.389 1.00 0.00 C ATOM 868 O PRO A 54 0.288 20.943 16.315 1.00 0.00 O ATOM 869 CB PRO A 54 0.077 19.233 13.649 1.00 0.00 C ATOM 870 CG PRO A 54 0.677 18.849 12.343 1.00 0.00 C ATOM 871 CD PRO A 54 1.921 19.678 12.173 1.00 0.00 C ATOM 0 HA PRO A 54 -0.191 21.407 13.852 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.374 18.537 14.434 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.012 19.211 13.599 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.916 17.786 12.326 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.023 19.032 11.528 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.808 19.143 12.512 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.087 19.940 11.128 1.00 0.00 H new ATOM 879 N ASP A 55 2.366 20.535 15.567 1.00 0.00 N ATOM 880 CA ASP A 55 2.977 20.608 16.881 1.00 0.00 C ATOM 881 C ASP A 55 3.403 22.027 17.154 1.00 0.00 C ATOM 882 O ASP A 55 3.388 22.505 18.287 1.00 0.00 O ATOM 883 CB ASP A 55 4.219 19.722 16.946 1.00 0.00 C ATOM 884 CG ASP A 55 4.581 19.345 18.367 1.00 0.00 C ATOM 885 OD1 ASP A 55 3.732 18.741 19.054 1.00 0.00 O ATOM 886 OD2 ASP A 55 5.712 19.639 18.798 1.00 0.00 O ATOM 0 H ASP A 55 3.019 20.331 14.811 1.00 0.00 H new ATOM 0 HA ASP A 55 2.248 20.272 17.618 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.047 18.816 16.364 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.059 20.242 16.485 1.00 0.00 H new ATOM 891 N GLY A 56 3.746 22.701 16.072 1.00 0.00 N ATOM 892 CA GLY A 56 4.447 23.948 16.162 1.00 0.00 C ATOM 893 C GLY A 56 5.814 23.729 16.738 1.00 0.00 C ATOM 894 O GLY A 56 6.275 24.503 17.573 1.00 0.00 O ATOM 0 H GLY A 56 3.545 22.395 15.120 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.528 24.401 15.174 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.888 24.644 16.787 1.00 0.00 H new ATOM 898 N ASP A 57 6.430 22.624 16.311 1.00 0.00 N ATOM 899 CA ASP A 57 7.828 22.352 16.604 1.00 0.00 C ATOM 900 C ASP A 57 8.646 23.614 16.398 1.00 0.00 C ATOM 901 O ASP A 57 8.529 24.271 15.361 1.00 0.00 O ATOM 902 CB ASP A 57 8.367 21.264 15.675 1.00 0.00 C ATOM 903 CG ASP A 57 9.685 20.699 16.154 1.00 0.00 C ATOM 904 OD1 ASP A 57 10.734 21.297 15.854 1.00 0.00 O ATOM 905 OD2 ASP A 57 9.676 19.653 16.836 1.00 0.00 O ATOM 0 H ASP A 57 5.972 21.901 15.756 1.00 0.00 H new ATOM 0 HA ASP A 57 7.905 22.016 17.638 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.636 20.459 15.599 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.493 21.675 14.673 1.00 0.00 H new ATOM 910 N VAL A 58 9.479 23.934 17.374 1.00 0.00 N ATOM 911 CA VAL A 58 10.238 25.179 17.369 1.00 0.00 C ATOM 912 C VAL A 58 11.334 25.151 16.301 1.00 0.00 C ATOM 913 O VAL A 58 12.102 26.106 16.145 1.00 0.00 O ATOM 914 CB VAL A 58 10.863 25.442 18.759 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.344 26.879 18.884 1.00 0.00 C ATOM 916 CG2 VAL A 58 9.866 25.117 19.860 1.00 0.00 C ATOM 0 H VAL A 58 9.650 23.344 18.188 1.00 0.00 H new ATOM 0 HA VAL A 58 9.547 25.988 17.133 1.00 0.00 H new ATOM 0 HB VAL A 58 11.729 24.788 18.867 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.778 27.033 19.872 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.097 27.078 18.122 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.502 27.558 18.748 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.322 25.308 20.832 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.981 25.743 19.746 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.580 24.067 19.793 1.00 0.00 H new ATOM 926 N GLY A 59 11.375 24.071 15.538 1.00 0.00 N ATOM 927 CA GLY A 59 12.370 23.919 14.521 1.00 0.00 C ATOM 928 C GLY A 59 11.810 24.276 13.173 1.00 0.00 C ATOM 929 O GLY A 59 12.554 24.629 12.254 1.00 0.00 O ATOM 0 H GLY A 59 10.722 23.291 15.614 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.226 24.555 14.745 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.731 22.891 14.510 1.00 0.00 H new ATOM 933 N GLY A 60 10.487 24.213 13.052 1.00 0.00 N ATOM 934 CA GLY A 60 9.869 24.542 11.797 1.00 0.00 C ATOM 935 C GLY A 60 8.897 23.482 11.359 1.00 0.00 C ATOM 936 O GLY A 60 8.673 22.509 12.081 1.00 0.00 O ATOM 0 H GLY A 60 9.845 23.942 13.797 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.350 25.496 11.886 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.638 24.667 11.035 1.00 0.00 H new ATOM 940 N PRO A 61 8.324 23.628 10.163 1.00 0.00 N ATOM 941 CA PRO A 61 7.281 22.743 9.686 1.00 0.00 C ATOM 942 C PRO A 61 7.841 21.418 9.222 1.00 0.00 C ATOM 943 O PRO A 61 9.021 21.297 8.882 1.00 0.00 O ATOM 944 CB PRO A 61 6.678 23.505 8.518 1.00 0.00 C ATOM 945 CG PRO A 61 7.809 24.292 7.985 1.00 0.00 C ATOM 946 CD PRO A 61 8.679 24.642 9.163 1.00 0.00 C ATOM 0 HA PRO A 61 6.558 22.497 10.464 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.273 22.828 7.766 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.860 24.149 8.841 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.368 23.717 7.247 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.453 25.192 7.484 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.738 24.600 8.907 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.478 25.650 9.525 1.00 0.00 H new ATOM 954 N TRP A 62 6.976 20.446 9.170 1.00 0.00 N ATOM 955 CA TRP A 62 7.367 19.096 8.898 1.00 0.00 C ATOM 956 C TRP A 62 6.246 18.401 8.172 1.00 0.00 C ATOM 957 O TRP A 62 5.259 19.030 7.780 1.00 0.00 O ATOM 958 CB TRP A 62 7.680 18.370 10.210 1.00 0.00 C ATOM 959 CG TRP A 62 6.533 18.388 11.173 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.131 19.437 11.931 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.641 17.316 11.469 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.035 19.086 12.677 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.720 17.788 12.416 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.529 16.007 11.024 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.702 16.995 12.929 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.520 15.217 11.533 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.616 15.714 12.474 1.00 0.00 C ATOM 0 H TRP A 62 5.974 20.570 9.316 1.00 0.00 H new ATOM 0 HA TRP A 62 8.263 19.088 8.277 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.949 17.336 9.992 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.548 18.834 10.678 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.605 20.408 11.945 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.537 19.698 13.323 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.219 15.614 10.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.006 17.379 13.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.427 14.195 11.198 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.834 15.070 12.848 1.00 0.00 H new ATOM 978 N CYS A 63 6.409 17.123 7.990 1.00 0.00 N ATOM 979 CA CYS A 63 5.411 16.312 7.345 1.00 0.00 C ATOM 980 C CYS A 63 5.758 14.852 7.529 1.00 0.00 C ATOM 981 O CYS A 63 6.751 14.518 8.174 1.00 0.00 O ATOM 982 CB CYS A 63 5.320 16.661 5.861 1.00 0.00 C ATOM 983 SG CYS A 63 6.808 16.252 4.895 1.00 0.00 S ATOM 0 H CYS A 63 7.240 16.610 8.285 1.00 0.00 H new ATOM 0 HA CYS A 63 4.439 16.507 7.797 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.467 16.137 5.429 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.121 17.728 5.764 1.00 0.00 H new ATOM 988 N TYR A 64 4.941 13.991 6.969 1.00 0.00 N ATOM 989 CA TYR A 64 5.261 12.585 6.903 1.00 0.00 C ATOM 990 C TYR A 64 5.760 12.325 5.512 1.00 0.00 C ATOM 991 O TYR A 64 5.244 12.908 4.573 1.00 0.00 O ATOM 992 CB TYR A 64 4.044 11.730 7.238 1.00 0.00 C ATOM 993 CG TYR A 64 3.719 11.744 8.711 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.517 11.055 9.612 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.625 12.441 9.203 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.237 11.056 10.961 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.338 12.451 10.554 1.00 0.00 C ATOM 998 CZ TYR A 64 3.146 11.754 11.427 1.00 0.00 C ATOM 999 OH TYR A 64 2.862 11.755 12.770 1.00 0.00 O ATOM 0 H TYR A 64 4.045 14.242 6.551 1.00 0.00 H new ATOM 0 HA TYR A 64 6.023 12.319 7.636 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.183 12.092 6.675 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.225 10.704 6.918 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.374 10.507 9.249 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.989 12.984 8.520 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.869 10.513 11.648 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.486 13.001 10.924 1.00 0.00 H new ATOM 0 HH TYR A 64 3.322 12.505 13.201 1.00 0.00 H new ATOM 1009 N THR A 65 6.765 11.500 5.354 1.00 0.00 N ATOM 1010 CA THR A 65 7.382 11.378 4.053 1.00 0.00 C ATOM 1011 C THR A 65 6.856 10.144 3.364 1.00 0.00 C ATOM 1012 O THR A 65 6.491 9.172 4.022 1.00 0.00 O ATOM 1013 CB THR A 65 8.921 11.305 4.148 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.350 9.948 4.308 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.426 12.137 5.317 1.00 0.00 C ATOM 0 H THR A 65 7.167 10.916 6.088 1.00 0.00 H new ATOM 0 HA THR A 65 7.130 12.269 3.477 1.00 0.00 H new ATOM 0 HB THR A 65 9.334 11.705 3.222 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.448 9.746 5.262 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.513 12.072 5.367 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.130 13.177 5.178 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.997 11.759 6.245 1.00 0.00 H new ATOM 1023 N THR A 66 6.774 10.189 2.048 1.00 0.00 N ATOM 1024 CA THR A 66 6.432 9.007 1.285 1.00 0.00 C ATOM 1025 C THR A 66 7.637 8.056 1.173 1.00 0.00 C ATOM 1026 O THR A 66 7.636 7.125 0.370 1.00 0.00 O ATOM 1027 CB THR A 66 5.918 9.388 -0.125 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.922 10.123 -0.838 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.657 10.238 -0.031 1.00 0.00 C ATOM 0 H THR A 66 6.939 11.026 1.489 1.00 0.00 H new ATOM 0 HA THR A 66 5.633 8.490 1.816 1.00 0.00 H new ATOM 0 HB THR A 66 5.689 8.465 -0.657 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.100 10.968 -0.375 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.315 10.493 -1.034 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.878 9.678 0.487 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.875 11.152 0.522 1.00 0.00 H new ATOM 1037 N ASN A 67 8.648 8.292 2.015 1.00 0.00 N ATOM 1038 CA ASN A 67 9.894 7.526 2.004 1.00 0.00 C ATOM 1039 C ASN A 67 9.905 6.479 3.118 1.00 0.00 C ATOM 1040 O ASN A 67 9.819 6.815 4.301 1.00 0.00 O ATOM 1041 CB ASN A 67 11.078 8.489 2.162 1.00 0.00 C ATOM 1042 CG ASN A 67 12.418 7.804 2.334 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.599 6.643 1.972 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.381 8.542 2.863 1.00 0.00 N ATOM 0 H ASN A 67 8.623 9.023 2.726 1.00 0.00 H new ATOM 0 HA ASN A 67 9.977 6.998 1.054 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.124 9.137 1.287 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.897 9.130 3.025 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.315 8.151 2.983 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.189 9.502 3.150 1.00 0.00 H new ATOM 1051 N PRO A 68 10.018 5.188 2.751 1.00 0.00 N ATOM 1052 CA PRO A 68 10.019 4.074 3.709 1.00 0.00 C ATOM 1053 C PRO A 68 11.276 4.017 4.576 1.00 0.00 C ATOM 1054 O PRO A 68 11.474 3.071 5.340 1.00 0.00 O ATOM 1055 CB PRO A 68 9.922 2.822 2.825 1.00 0.00 C ATOM 1056 CG PRO A 68 9.565 3.318 1.464 1.00 0.00 C ATOM 1057 CD PRO A 68 10.128 4.705 1.369 1.00 0.00 C ATOM 0 HA PRO A 68 9.200 4.176 4.421 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.867 2.279 2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.166 2.134 3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.984 2.673 0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.484 3.325 1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.161 4.701 1.022 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.561 5.326 0.676 1.00 0.00 H new ATOM 1065 N ARG A 69 12.119 5.026 4.460 1.00 0.00 N ATOM 1066 CA ARG A 69 13.272 5.152 5.328 1.00 0.00 C ATOM 1067 C ARG A 69 12.881 5.784 6.651 1.00 0.00 C ATOM 1068 O ARG A 69 13.210 5.270 7.723 1.00 0.00 O ATOM 1069 CB ARG A 69 14.324 6.021 4.661 1.00 0.00 C ATOM 1070 CG ARG A 69 15.086 5.320 3.561 1.00 0.00 C ATOM 1071 CD ARG A 69 15.867 4.144 4.112 1.00 0.00 C ATOM 1072 NE ARG A 69 16.637 4.505 5.303 1.00 0.00 N ATOM 1073 CZ ARG A 69 17.125 3.612 6.162 1.00 0.00 C ATOM 1074 NH1 ARG A 69 16.890 2.318 5.977 1.00 0.00 N ATOM 1075 NH2 ARG A 69 17.843 4.011 7.204 1.00 0.00 N ATOM 0 H ARG A 69 12.025 5.772 3.771 1.00 0.00 H new ATOM 0 HA ARG A 69 13.671 4.155 5.512 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.842 6.907 4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.030 6.365 5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.392 4.974 2.795 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.768 6.022 3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.179 3.335 4.357 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.543 3.766 3.345 1.00 0.00 H new ATOM 0 HE ARG A 69 16.809 5.494 5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 69 16.336 2.009 5.178 1.00 0.00 H new ATOM 0 HH12 ARG A 69 17.263 1.633 6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.023 5.004 7.349 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.215 3.324 7.860 1.00 0.00 H new ATOM 1089 N LYS A 70 12.165 6.893 6.569 1.00 0.00 N ATOM 1090 CA LYS A 70 11.798 7.640 7.756 1.00 0.00 C ATOM 1091 C LYS A 70 10.359 8.144 7.668 1.00 0.00 C ATOM 1092 O LYS A 70 9.916 8.650 6.640 1.00 0.00 O ATOM 1093 CB LYS A 70 12.803 8.781 8.008 1.00 0.00 C ATOM 1094 CG LYS A 70 13.352 9.482 6.763 1.00 0.00 C ATOM 1095 CD LYS A 70 12.396 10.520 6.201 1.00 0.00 C ATOM 1096 CE LYS A 70 13.072 11.394 5.150 1.00 0.00 C ATOM 1097 NZ LYS A 70 14.182 12.214 5.713 1.00 0.00 N ATOM 0 H LYS A 70 11.828 7.294 5.694 1.00 0.00 H new ATOM 0 HA LYS A 70 11.843 6.971 8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.322 9.529 8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.643 8.379 8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.298 9.963 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.564 8.737 5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.534 10.020 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.022 11.147 7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.461 10.761 4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.330 12.054 4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.044 13.211 5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.188 12.125 6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.089 11.878 5.332 1.00 0.00 H new ATOM 1111 N LEU A 71 9.641 7.968 8.776 1.00 0.00 N ATOM 1112 CA LEU A 71 8.202 8.234 8.859 1.00 0.00 C ATOM 1113 C LEU A 71 7.896 9.704 8.662 1.00 0.00 C ATOM 1114 O LEU A 71 6.935 10.057 7.982 1.00 0.00 O ATOM 1115 CB LEU A 71 7.675 7.763 10.224 1.00 0.00 C ATOM 1116 CG LEU A 71 6.203 8.073 10.530 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.275 7.235 9.667 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.908 7.840 12.005 1.00 0.00 C ATOM 0 H LEU A 71 10.044 7.633 9.651 1.00 0.00 H new ATOM 0 HA LEU A 71 7.704 7.684 8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.819 6.685 10.292 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.289 8.216 11.002 1.00 0.00 H new ATOM 0 HG LEU A 71 6.024 9.123 10.297 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.239 7.476 9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.464 7.449 8.615 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.455 6.177 9.860 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.860 8.064 12.206 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.111 6.799 12.257 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.541 8.490 12.610 1.00 0.00 H new ATOM 1130 N TYR A 72 8.723 10.552 9.229 1.00 0.00 N ATOM 1131 CA TYR A 72 8.499 11.978 9.154 1.00 0.00 C ATOM 1132 C TYR A 72 9.824 12.701 9.019 1.00 0.00 C ATOM 1133 O TYR A 72 10.889 12.124 9.253 1.00 0.00 O ATOM 1134 CB TYR A 72 7.753 12.474 10.400 1.00 0.00 C ATOM 1135 CG TYR A 72 8.621 12.571 11.635 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.910 11.448 12.401 1.00 0.00 C ATOM 1137 CD2 TYR A 72 9.160 13.791 12.024 1.00 0.00 C ATOM 1138 CE1 TYR A 72 9.715 11.541 13.520 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.962 13.891 13.140 1.00 0.00 C ATOM 1140 CZ TYR A 72 10.239 12.764 13.886 1.00 0.00 C ATOM 1141 OH TYR A 72 11.047 12.860 14.998 1.00 0.00 O ATOM 0 H TYR A 72 9.558 10.279 9.748 1.00 0.00 H new ATOM 0 HA TYR A 72 7.885 12.189 8.278 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.326 13.455 10.190 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.920 11.801 10.605 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.500 10.490 12.118 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.947 14.676 11.442 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.933 10.660 14.106 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.372 14.847 13.429 1.00 0.00 H new ATOM 0 HH TYR A 72 11.333 13.790 15.115 1.00 0.00 H new ATOM 1151 N ASP A 73 9.747 13.955 8.633 1.00 0.00 N ATOM 1152 CA ASP A 73 10.927 14.785 8.448 1.00 0.00 C ATOM 1153 C ASP A 73 10.498 16.240 8.446 1.00 0.00 C ATOM 1154 O ASP A 73 9.305 16.527 8.434 1.00 0.00 O ATOM 1155 CB ASP A 73 11.604 14.424 7.121 1.00 0.00 C ATOM 1156 CG ASP A 73 13.006 14.982 6.968 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.559 15.510 7.955 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.570 14.859 5.858 1.00 0.00 O ATOM 0 H ASP A 73 8.867 14.432 8.437 1.00 0.00 H new ATOM 0 HA ASP A 73 11.639 14.618 9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.645 13.339 7.030 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.988 14.790 6.300 1.00 0.00 H new ATOM 1163 N TYR A 74 11.453 17.145 8.446 1.00 0.00 N ATOM 1164 CA TYR A 74 11.147 18.568 8.397 1.00 0.00 C ATOM 1165 C TYR A 74 11.151 19.023 6.951 1.00 0.00 C ATOM 1166 O TYR A 74 11.784 18.396 6.108 1.00 0.00 O ATOM 1167 CB TYR A 74 12.178 19.386 9.178 1.00 0.00 C ATOM 1168 CG TYR A 74 12.119 19.216 10.686 1.00 0.00 C ATOM 1169 CD1 TYR A 74 12.808 18.183 11.308 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.401 20.104 11.490 1.00 0.00 C ATOM 1171 CE1 TYR A 74 12.783 18.032 12.681 1.00 0.00 C ATOM 1172 CE2 TYR A 74 11.368 19.954 12.863 1.00 0.00 C ATOM 1173 CZ TYR A 74 12.063 18.921 13.455 1.00 0.00 C ATOM 1174 OH TYR A 74 12.047 18.782 14.827 1.00 0.00 O ATOM 0 H TYR A 74 12.449 16.926 8.479 1.00 0.00 H new ATOM 0 HA TYR A 74 10.168 18.725 8.850 1.00 0.00 H new ATOM 0 HB2 TYR A 74 13.175 19.110 8.835 1.00 0.00 H new ATOM 0 HB3 TYR A 74 12.039 20.441 8.940 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.373 17.485 10.708 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.863 20.921 11.031 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.324 17.222 13.147 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.800 20.643 13.470 1.00 0.00 H new ATOM 0 HH TYR A 74 11.924 19.661 15.243 1.00 0.00 H new ATOM 1184 N CYS A 75 10.449 20.103 6.666 1.00 0.00 N ATOM 1185 CA CYS A 75 10.368 20.614 5.306 1.00 0.00 C ATOM 1186 C CYS A 75 11.229 21.850 5.129 1.00 0.00 C ATOM 1187 O CYS A 75 11.721 22.428 6.096 1.00 0.00 O ATOM 1188 CB CYS A 75 8.929 20.947 4.944 1.00 0.00 C ATOM 1189 SG CYS A 75 7.833 19.507 4.885 1.00 0.00 S ATOM 0 H CYS A 75 9.927 20.644 7.355 1.00 0.00 H new ATOM 0 HA CYS A 75 10.738 19.832 4.642 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.538 21.659 5.671 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.915 21.442 3.973 1.00 0.00 H new ATOM 1194 N ASP A 76 11.379 22.260 3.883 1.00 0.00 N ATOM 1195 CA ASP A 76 12.221 23.393 3.542 1.00 0.00 C ATOM 1196 C ASP A 76 11.365 24.547 3.023 1.00 0.00 C ATOM 1197 O ASP A 76 11.400 24.878 1.838 1.00 0.00 O ATOM 1198 CB ASP A 76 13.259 22.976 2.490 1.00 0.00 C ATOM 1199 CG ASP A 76 14.342 24.018 2.261 1.00 0.00 C ATOM 1200 OD1 ASP A 76 14.168 24.892 1.385 1.00 0.00 O ATOM 1201 OD2 ASP A 76 15.388 23.953 2.941 1.00 0.00 O ATOM 0 H ASP A 76 10.924 21.821 3.083 1.00 0.00 H new ATOM 0 HA ASP A 76 12.746 23.728 4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.725 22.041 2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.750 22.779 1.547 1.00 0.00 H new ATOM 1206 N VAL A 77 10.553 25.123 3.901 1.00 0.00 N ATOM 1207 CA VAL A 77 9.775 26.297 3.547 1.00 0.00 C ATOM 1208 C VAL A 77 10.268 27.529 4.304 1.00 0.00 C ATOM 1209 O VAL A 77 10.453 27.501 5.523 1.00 0.00 O ATOM 1210 CB VAL A 77 8.267 26.089 3.794 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.988 25.648 5.209 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.489 27.344 3.468 1.00 0.00 C ATOM 0 H VAL A 77 10.418 24.796 4.858 1.00 0.00 H new ATOM 0 HA VAL A 77 9.917 26.460 2.479 1.00 0.00 H new ATOM 0 HB VAL A 77 7.937 25.292 3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.915 25.512 5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.500 24.706 5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.347 26.407 5.904 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.428 27.172 3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.838 28.162 4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.640 27.604 2.420 1.00 0.00 H new ATOM 1222 N PRO A 78 10.515 28.609 3.556 1.00 0.00 N ATOM 1223 CA PRO A 78 10.989 29.889 4.096 1.00 0.00 C ATOM 1224 C PRO A 78 9.999 30.563 5.022 1.00 0.00 C ATOM 1225 O PRO A 78 8.800 30.260 5.033 1.00 0.00 O ATOM 1226 CB PRO A 78 11.191 30.747 2.839 1.00 0.00 C ATOM 1227 CG PRO A 78 10.319 30.119 1.808 1.00 0.00 C ATOM 1228 CD PRO A 78 10.377 28.654 2.094 1.00 0.00 C ATOM 0 HA PRO A 78 11.883 29.749 4.704 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.908 31.784 3.018 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.235 30.751 2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.298 30.494 1.873 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.676 30.339 0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.476 28.141 1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.221 28.178 1.594 1.00 0.00 H new ATOM 1236 N GLN A 79 10.529 31.486 5.796 1.00 0.00 N ATOM 1237 CA GLN A 79 9.743 32.262 6.716 1.00 0.00 C ATOM 1238 C GLN A 79 8.953 33.323 5.963 1.00 0.00 C ATOM 1239 O GLN A 79 9.522 34.231 5.359 1.00 0.00 O ATOM 1240 CB GLN A 79 10.651 32.903 7.764 1.00 0.00 C ATOM 1241 CG GLN A 79 9.891 33.694 8.797 1.00 0.00 C ATOM 1242 CD GLN A 79 8.919 32.836 9.568 1.00 0.00 C ATOM 1243 OE1 GLN A 79 7.853 33.306 9.939 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.279 31.573 9.806 1.00 0.00 N ATOM 0 H GLN A 79 11.523 31.716 5.801 1.00 0.00 H new ATOM 0 HA GLN A 79 9.036 31.607 7.226 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.227 32.124 8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.365 33.558 7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.595 34.155 9.490 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.350 34.503 8.307 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.180 31.229 9.475 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.653 30.952 10.319 1.00 0.00 H new ATOM 1253 N CYS A 80 7.641 33.181 5.991 1.00 0.00 N ATOM 1254 CA CYS A 80 6.746 34.109 5.333 1.00 0.00 C ATOM 1255 C CYS A 80 6.673 35.391 6.137 1.00 0.00 C ATOM 1256 O CYS A 80 6.692 36.492 5.583 1.00 0.00 O ATOM 1257 CB CYS A 80 5.351 33.500 5.205 1.00 0.00 C ATOM 1258 SG CYS A 80 4.492 33.911 3.654 1.00 0.00 S ATOM 0 H CYS A 80 7.167 32.417 6.472 1.00 0.00 H new ATOM 0 HA CYS A 80 7.126 34.324 4.334 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.432 32.416 5.285 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.742 33.837 6.044 1.00 0.00 H new ATOM 1263 N ALA A 81 6.614 35.233 7.456 1.00 0.00 N ATOM 1264 CA ALA A 81 6.577 36.373 8.365 1.00 0.00 C ATOM 1265 C ALA A 81 7.980 36.934 8.584 1.00 0.00 C ATOM 1266 O ALA A 81 8.405 37.156 9.719 1.00 0.00 O ATOM 1267 CB ALA A 81 5.953 35.974 9.693 1.00 0.00 C ATOM 0 H ALA A 81 6.591 34.325 7.919 1.00 0.00 H new ATOM 0 HA ALA A 81 5.963 37.151 7.912 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.933 36.836 10.359 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.935 35.621 9.525 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.543 35.178 10.147 1.00 0.00 H new