USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 263 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 30 ASN : amide:sc= -4.24! C(o=-6.9!,f=-9.5!) USER MOD Set 1.2: A 32 LYS NZ :NH3+ 165:sc= -2.64! (180deg=0.156) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -132:sc= -0.986 (180deg=-3.9!) USER MOD Set 2.2: A 36 TYR OH : rot 80:sc= -0.108 USER MOD Single : A 3 THR OG1 : rot -47:sc= 0.875 USER MOD Single : A 4 ASN : amide:sc= -0.329 K(o=-0.33,f=0.93) USER MOD Single : A 6 SER OG : rot 29:sc= 0.434 USER MOD Single : A 8 SER OG : rot -54:sc= 0.651 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0389 USER MOD Single : A 11 SER OG : rot 180:sc= -0.106 USER MOD Single : A 12 GLN : amide:sc= -2.93 K(o=-2.9,f=-2.3) USER MOD Single : A 18 LYS NZ :NH3+ 147:sc= -1.24 (180deg=-3.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 150:sc= -0.486 (180deg=-2.77!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0369 USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 3.919 -0.628 -1.141 1.00 1.00 N ATOM 16 CA PHE A 2 5.274 -1.212 -1.179 1.00 1.00 C ATOM 17 C PHE A 2 6.203 -0.414 -0.248 1.00 1.00 C ATOM 18 O PHE A 2 5.861 0.650 0.201 1.00 1.00 O ATOM 19 CB PHE A 2 5.716 -1.122 -2.614 1.00 1.00 C ATOM 20 CG PHE A 2 5.566 -2.444 -3.390 1.00 1.00 C ATOM 21 CD1 PHE A 2 4.344 -3.093 -3.468 1.00 1.00 C ATOM 22 CD2 PHE A 2 6.658 -2.998 -4.031 1.00 1.00 C ATOM 23 CE1 PHE A 2 4.221 -4.271 -4.174 1.00 1.00 C ATOM 24 CE2 PHE A 2 6.532 -4.177 -4.738 1.00 1.00 C ATOM 25 CZ PHE A 2 5.315 -4.814 -4.810 1.00 1.00 C ATOM 0 HA PHE A 2 5.296 -2.246 -0.836 1.00 1.00 H new ATOM 0 HB2 PHE A 2 5.136 -0.348 -3.116 1.00 1.00 H new ATOM 0 HB3 PHE A 2 6.760 -0.809 -2.645 1.00 1.00 H new ATOM 0 HD1 PHE A 2 3.481 -2.673 -2.972 1.00 1.00 H new ATOM 0 HD2 PHE A 2 7.617 -2.505 -3.978 1.00 1.00 H new ATOM 0 HE1 PHE A 2 3.264 -4.769 -4.228 1.00 1.00 H new ATOM 0 HE2 PHE A 2 7.392 -4.601 -5.236 1.00 1.00 H new ATOM 0 HZ PHE A 2 5.218 -5.736 -5.363 1.00 1.00 H new ATOM 35 N THR A 3 7.354 -0.981 -0.007 1.00 1.00 N ATOM 36 CA THR A 3 8.380 -0.329 0.865 1.00 1.00 C ATOM 37 C THR A 3 9.738 -0.495 0.188 1.00 1.00 C ATOM 38 O THR A 3 9.839 -1.107 -0.851 1.00 1.00 O ATOM 39 CB THR A 3 8.445 -0.992 2.276 1.00 1.00 C ATOM 40 OG1 THR A 3 8.997 -2.286 2.096 1.00 1.00 O ATOM 41 CG2 THR A 3 7.029 -1.242 2.842 1.00 1.00 C ATOM 0 H THR A 3 7.634 -1.886 -0.384 1.00 1.00 H new ATOM 0 HA THR A 3 8.114 0.720 0.997 1.00 1.00 H new ATOM 0 HB THR A 3 9.014 -0.342 2.941 1.00 1.00 H new ATOM 0 HG1 THR A 3 8.547 -2.733 1.349 1.00 1.00 H new ATOM 0 HG21 THR A 3 7.107 -1.705 3.826 1.00 1.00 H new ATOM 0 HG22 THR A 3 6.499 -0.294 2.928 1.00 1.00 H new ATOM 0 HG23 THR A 3 6.481 -1.904 2.172 1.00 1.00 H new ATOM 49 N ASN A 4 10.740 0.054 0.816 1.00 1.00 N ATOM 50 CA ASN A 4 12.119 -0.031 0.256 1.00 1.00 C ATOM 51 C ASN A 4 13.078 -0.559 1.328 1.00 1.00 C ATOM 52 O ASN A 4 14.245 -0.219 1.327 1.00 1.00 O ATOM 53 CB ASN A 4 12.491 1.371 -0.203 1.00 1.00 C ATOM 54 CG ASN A 4 13.629 1.345 -1.238 1.00 1.00 C ATOM 55 OD1 ASN A 4 14.747 0.951 -0.963 1.00 1.00 O ATOM 56 ND2 ASN A 4 13.382 1.757 -2.450 1.00 1.00 N ATOM 0 H ASN A 4 10.663 0.561 1.698 1.00 1.00 H new ATOM 0 HA ASN A 4 12.178 -0.721 -0.586 1.00 1.00 H new ATOM 0 HB2 ASN A 4 11.616 1.857 -0.635 1.00 1.00 H new ATOM 0 HB3 ASN A 4 12.794 1.968 0.657 1.00 1.00 H new ATOM 0 HD21 ASN A 4 14.121 1.746 -3.153 1.00 1.00 H new ATOM 0 HD22 ASN A 4 12.450 2.090 -2.695 1.00 1.00 H new ATOM 63 N VAL A 5 12.573 -1.376 2.223 1.00 1.00 N ATOM 64 CA VAL A 5 13.438 -1.930 3.288 1.00 1.00 C ATOM 65 C VAL A 5 13.410 -3.450 3.235 1.00 1.00 C ATOM 66 O VAL A 5 12.421 -4.033 2.844 1.00 1.00 O ATOM 67 CB VAL A 5 12.924 -1.443 4.631 1.00 1.00 C ATOM 68 CG1 VAL A 5 13.143 0.072 4.769 1.00 1.00 C ATOM 69 CG2 VAL A 5 11.427 -1.769 4.832 1.00 1.00 C ATOM 0 H VAL A 5 11.599 -1.677 2.254 1.00 1.00 H new ATOM 0 HA VAL A 5 14.466 -1.598 3.146 1.00 1.00 H new ATOM 0 HB VAL A 5 13.489 -1.969 5.401 1.00 1.00 H new ATOM 0 HG11 VAL A 5 12.770 0.407 5.737 1.00 1.00 H new ATOM 0 HG12 VAL A 5 14.208 0.294 4.694 1.00 1.00 H new ATOM 0 HG13 VAL A 5 12.607 0.591 3.974 1.00 1.00 H new ATOM 0 HG21 VAL A 5 11.102 -1.402 5.806 1.00 1.00 H new ATOM 0 HG22 VAL A 5 10.841 -1.287 4.049 1.00 1.00 H new ATOM 0 HG23 VAL A 5 11.280 -2.848 4.783 1.00 1.00 H new ATOM 79 N SER A 6 14.505 -4.038 3.639 1.00 1.00 N ATOM 80 CA SER A 6 14.599 -5.527 3.638 1.00 1.00 C ATOM 81 C SER A 6 13.705 -6.077 4.760 1.00 1.00 C ATOM 82 O SER A 6 13.438 -5.365 5.710 1.00 1.00 O ATOM 83 CB SER A 6 16.066 -5.934 3.870 1.00 1.00 C ATOM 84 OG SER A 6 16.083 -7.354 3.786 1.00 1.00 O ATOM 0 H SER A 6 15.338 -3.551 3.970 1.00 1.00 H new ATOM 0 HA SER A 6 14.266 -5.934 2.683 1.00 1.00 H new ATOM 0 HB2 SER A 6 16.720 -5.488 3.121 1.00 1.00 H new ATOM 0 HB3 SER A 6 16.419 -5.594 4.844 1.00 1.00 H new ATOM 0 HG SER A 6 15.368 -7.655 3.187 1.00 1.00 H new ATOM 90 N CYS A 7 13.267 -7.307 4.630 1.00 1.00 N ATOM 91 CA CYS A 7 12.397 -7.893 5.700 1.00 1.00 C ATOM 92 C CYS A 7 12.942 -9.208 6.226 1.00 1.00 C ATOM 93 O CYS A 7 13.689 -9.900 5.562 1.00 1.00 O ATOM 94 CB CYS A 7 10.984 -8.136 5.162 1.00 1.00 C ATOM 95 SG CYS A 7 10.770 -9.090 3.642 1.00 1.00 S ATOM 0 H CYS A 7 13.470 -7.923 3.842 1.00 1.00 H new ATOM 0 HA CYS A 7 12.378 -7.172 6.517 1.00 1.00 H new ATOM 0 HB2 CYS A 7 10.416 -8.637 5.946 1.00 1.00 H new ATOM 0 HB3 CYS A 7 10.521 -7.162 5.006 1.00 1.00 H new ATOM 100 N SER A 8 12.524 -9.490 7.432 1.00 1.00 N ATOM 101 CA SER A 8 12.933 -10.737 8.137 1.00 1.00 C ATOM 102 C SER A 8 11.631 -11.457 8.530 1.00 1.00 C ATOM 103 O SER A 8 11.573 -12.099 9.561 1.00 1.00 O ATOM 104 CB SER A 8 13.770 -10.332 9.368 1.00 1.00 C ATOM 105 OG SER A 8 14.214 -11.564 9.921 1.00 1.00 O ATOM 0 H SER A 8 11.899 -8.890 7.970 1.00 1.00 H new ATOM 0 HA SER A 8 13.542 -11.403 7.526 1.00 1.00 H new ATOM 0 HB2 SER A 8 14.611 -9.699 9.085 1.00 1.00 H new ATOM 0 HB3 SER A 8 13.173 -9.768 10.085 1.00 1.00 H new ATOM 0 HG SER A 8 13.443 -12.147 10.082 1.00 1.00 H new ATOM 111 N ALA A 9 10.652 -11.298 7.662 1.00 1.00 N ATOM 112 CA ALA A 9 9.262 -11.880 7.765 1.00 1.00 C ATOM 113 C ALA A 9 8.234 -10.744 7.744 1.00 1.00 C ATOM 114 O ALA A 9 8.583 -9.581 7.718 1.00 1.00 O ATOM 115 CB ALA A 9 9.031 -12.677 9.085 1.00 1.00 C ATOM 0 H ALA A 9 10.774 -10.741 6.816 1.00 1.00 H new ATOM 0 HA ALA A 9 9.150 -12.560 6.920 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.014 -13.070 9.100 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.740 -13.503 9.140 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.177 -12.016 9.939 1.00 1.00 H new ATOM 121 N SER A 10 6.982 -11.126 7.756 1.00 1.00 N ATOM 122 CA SER A 10 5.867 -10.130 7.737 1.00 1.00 C ATOM 123 C SER A 10 5.790 -9.376 9.070 1.00 1.00 C ATOM 124 O SER A 10 5.479 -8.205 9.092 1.00 1.00 O ATOM 125 CB SER A 10 4.549 -10.876 7.477 1.00 1.00 C ATOM 126 OG SER A 10 4.712 -11.468 6.194 1.00 1.00 O ATOM 0 H SER A 10 6.681 -12.100 7.778 1.00 1.00 H new ATOM 0 HA SER A 10 6.047 -9.400 6.948 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.365 -11.632 8.241 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.699 -10.194 7.493 1.00 1.00 H new ATOM 0 HG SER A 10 3.902 -11.968 5.959 1.00 1.00 H new ATOM 132 N SER A 11 6.062 -10.066 10.149 1.00 1.00 N ATOM 133 CA SER A 11 6.032 -9.472 11.506 1.00 1.00 C ATOM 134 C SER A 11 6.689 -8.089 11.624 1.00 1.00 C ATOM 135 O SER A 11 6.062 -7.142 12.053 1.00 1.00 O ATOM 136 CB SER A 11 6.691 -10.514 12.403 1.00 1.00 C ATOM 137 OG SER A 11 7.998 -10.707 11.876 1.00 1.00 O ATOM 0 H SER A 11 6.312 -11.055 10.136 1.00 1.00 H new ATOM 0 HA SER A 11 5.004 -9.257 11.799 1.00 1.00 H new ATOM 0 HB2 SER A 11 6.733 -10.170 13.437 1.00 1.00 H new ATOM 0 HB3 SER A 11 6.126 -11.446 12.400 1.00 1.00 H new ATOM 0 HG SER A 11 8.474 -11.371 12.417 1.00 1.00 H new ATOM 143 N GLN A 12 7.931 -8.032 11.229 1.00 1.00 N ATOM 144 CA GLN A 12 8.720 -6.763 11.276 1.00 1.00 C ATOM 145 C GLN A 12 8.241 -5.739 10.231 1.00 1.00 C ATOM 146 O GLN A 12 8.669 -4.602 10.243 1.00 1.00 O ATOM 147 CB GLN A 12 10.188 -7.155 11.066 1.00 1.00 C ATOM 148 CG GLN A 12 10.343 -7.888 9.722 1.00 1.00 C ATOM 149 CD GLN A 12 10.544 -6.883 8.580 1.00 1.00 C ATOM 150 OE1 GLN A 12 11.504 -6.139 8.549 1.00 1.00 O ATOM 151 NE2 GLN A 12 9.662 -6.827 7.622 1.00 1.00 N ATOM 0 H GLN A 12 8.447 -8.833 10.865 1.00 1.00 H new ATOM 0 HA GLN A 12 8.586 -6.265 12.236 1.00 1.00 H new ATOM 0 HB2 GLN A 12 10.817 -6.265 11.080 1.00 1.00 H new ATOM 0 HB3 GLN A 12 10.523 -7.796 11.881 1.00 1.00 H new ATOM 0 HG2 GLN A 12 11.193 -8.569 9.769 1.00 1.00 H new ATOM 0 HG3 GLN A 12 9.459 -8.495 9.528 1.00 1.00 H new ATOM 0 HE21 GLN A 12 8.852 -7.447 7.638 1.00 1.00 H new ATOM 0 HE22 GLN A 12 9.782 -6.163 6.857 1.00 1.00 H new ATOM 160 N CYS A 13 7.367 -6.180 9.361 1.00 1.00 N ATOM 161 CA CYS A 13 6.808 -5.300 8.288 1.00 1.00 C ATOM 162 C CYS A 13 5.609 -4.561 8.827 1.00 1.00 C ATOM 163 O CYS A 13 5.324 -3.480 8.366 1.00 1.00 O ATOM 164 CB CYS A 13 6.386 -6.158 7.122 1.00 1.00 C ATOM 165 SG CYS A 13 5.861 -5.351 5.596 1.00 1.00 S ATOM 0 H CYS A 13 7.009 -7.135 9.349 1.00 1.00 H new ATOM 0 HA CYS A 13 7.562 -4.583 7.964 1.00 1.00 H new ATOM 0 HB2 CYS A 13 7.220 -6.816 6.878 1.00 1.00 H new ATOM 0 HB3 CYS A 13 5.567 -6.793 7.459 1.00 1.00 H new ATOM 170 N TRP A 14 4.935 -5.154 9.771 1.00 1.00 N ATOM 171 CA TRP A 14 3.743 -4.498 10.366 1.00 1.00 C ATOM 172 C TRP A 14 4.068 -3.074 10.907 1.00 1.00 C ATOM 173 O TRP A 14 3.435 -2.124 10.480 1.00 1.00 O ATOM 174 CB TRP A 14 3.224 -5.426 11.479 1.00 1.00 C ATOM 175 CG TRP A 14 2.978 -6.856 10.973 1.00 1.00 C ATOM 176 CD1 TRP A 14 2.918 -7.232 9.672 1.00 1.00 C ATOM 177 CD2 TRP A 14 2.777 -7.940 11.751 1.00 1.00 C ATOM 178 NE1 TRP A 14 2.683 -8.527 9.736 1.00 1.00 N ATOM 179 CE2 TRP A 14 2.579 -9.055 10.943 1.00 1.00 C ATOM 180 CE3 TRP A 14 2.746 -8.074 13.139 1.00 1.00 C ATOM 181 CZ2 TRP A 14 2.352 -10.303 11.515 1.00 1.00 C ATOM 182 CZ3 TRP A 14 2.520 -9.322 13.713 1.00 1.00 C ATOM 183 CH2 TRP A 14 2.323 -10.438 12.900 1.00 1.00 C ATOM 0 H TRP A 14 5.161 -6.071 10.157 1.00 1.00 H new ATOM 0 HA TRP A 14 2.977 -4.350 9.605 1.00 1.00 H new ATOM 0 HB2 TRP A 14 3.945 -5.450 12.296 1.00 1.00 H new ATOM 0 HB3 TRP A 14 2.297 -5.021 11.885 1.00 1.00 H new ATOM 0 HD1 TRP A 14 3.035 -6.617 8.792 1.00 1.00 H new ATOM 0 HE1 TRP A 14 2.586 -9.095 8.894 1.00 1.00 H new ATOM 0 HE3 TRP A 14 2.897 -7.210 13.768 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 2.198 -11.166 10.885 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 2.497 -9.426 14.788 1.00 1.00 H new ATOM 0 HH2 TRP A 14 2.148 -11.406 13.345 1.00 1.00 H new ATOM 194 N PRO A 15 5.023 -2.930 11.810 1.00 1.00 N ATOM 195 CA PRO A 15 5.427 -1.601 12.356 1.00 1.00 C ATOM 196 C PRO A 15 5.930 -0.658 11.252 1.00 1.00 C ATOM 197 O PRO A 15 5.725 0.530 11.314 1.00 1.00 O ATOM 198 CB PRO A 15 6.498 -1.924 13.402 1.00 1.00 C ATOM 199 CG PRO A 15 7.112 -3.227 12.845 1.00 1.00 C ATOM 200 CD PRO A 15 5.862 -4.006 12.417 1.00 1.00 C ATOM 0 HA PRO A 15 4.590 -1.061 12.800 1.00 1.00 H new ATOM 0 HB2 PRO A 15 7.238 -1.128 13.487 1.00 1.00 H new ATOM 0 HB3 PRO A 15 6.069 -2.067 14.394 1.00 1.00 H new ATOM 0 HG2 PRO A 15 7.782 -3.037 12.007 1.00 1.00 H new ATOM 0 HG3 PRO A 15 7.689 -3.762 13.599 1.00 1.00 H new ATOM 0 HD2 PRO A 15 6.097 -4.794 11.701 1.00 1.00 H new ATOM 0 HD3 PRO A 15 5.367 -4.482 13.264 1.00 1.00 H new ATOM 208 N VAL A 16 6.580 -1.245 10.275 1.00 1.00 N ATOM 209 CA VAL A 16 7.135 -0.460 9.124 1.00 1.00 C ATOM 210 C VAL A 16 5.967 0.072 8.291 1.00 1.00 C ATOM 211 O VAL A 16 5.948 1.219 7.889 1.00 1.00 O ATOM 212 CB VAL A 16 8.040 -1.409 8.295 1.00 1.00 C ATOM 213 CG1 VAL A 16 8.491 -0.737 6.983 1.00 1.00 C ATOM 214 CG2 VAL A 16 9.299 -1.742 9.124 1.00 1.00 C ATOM 0 H VAL A 16 6.752 -2.249 10.225 1.00 1.00 H new ATOM 0 HA VAL A 16 7.729 0.390 9.460 1.00 1.00 H new ATOM 0 HB VAL A 16 7.473 -2.309 8.057 1.00 1.00 H new ATOM 0 HG11 VAL A 16 9.124 -1.424 6.421 1.00 1.00 H new ATOM 0 HG12 VAL A 16 7.616 -0.480 6.386 1.00 1.00 H new ATOM 0 HG13 VAL A 16 9.053 0.169 7.212 1.00 1.00 H new ATOM 0 HG21 VAL A 16 9.945 -2.409 8.553 1.00 1.00 H new ATOM 0 HG22 VAL A 16 9.838 -0.823 9.352 1.00 1.00 H new ATOM 0 HG23 VAL A 16 9.004 -2.230 10.053 1.00 1.00 H new ATOM 224 N CYS A 17 5.010 -0.764 8.046 1.00 1.00 N ATOM 225 CA CYS A 17 3.833 -0.386 7.270 1.00 1.00 C ATOM 226 C CYS A 17 2.998 0.577 8.096 1.00 1.00 C ATOM 227 O CYS A 17 2.303 1.407 7.546 1.00 1.00 O ATOM 228 CB CYS A 17 3.159 -1.678 6.976 1.00 1.00 C ATOM 229 SG CYS A 17 3.867 -2.598 5.592 1.00 1.00 S ATOM 0 H CYS A 17 5.005 -1.731 8.370 1.00 1.00 H new ATOM 0 HA CYS A 17 4.042 0.139 6.338 1.00 1.00 H new ATOM 0 HB2 CYS A 17 3.196 -2.303 7.868 1.00 1.00 H new ATOM 0 HB3 CYS A 17 2.107 -1.484 6.766 1.00 1.00 H new ATOM 234 N LYS A 18 3.087 0.440 9.396 1.00 1.00 N ATOM 235 CA LYS A 18 2.325 1.338 10.294 1.00 1.00 C ATOM 236 C LYS A 18 2.936 2.739 10.228 1.00 1.00 C ATOM 237 O LYS A 18 2.216 3.713 10.145 1.00 1.00 O ATOM 238 CB LYS A 18 2.376 0.713 11.706 1.00 1.00 C ATOM 239 CG LYS A 18 1.835 1.682 12.783 1.00 1.00 C ATOM 240 CD LYS A 18 2.938 2.619 13.338 1.00 1.00 C ATOM 241 CE LYS A 18 3.670 2.003 14.554 1.00 1.00 C ATOM 242 NZ LYS A 18 4.571 0.889 14.147 1.00 1.00 N ATOM 0 H LYS A 18 3.659 -0.260 9.868 1.00 1.00 H new ATOM 0 HA LYS A 18 1.280 1.443 10.002 1.00 1.00 H new ATOM 0 HB2 LYS A 18 1.791 -0.207 11.718 1.00 1.00 H new ATOM 0 HB3 LYS A 18 3.404 0.440 11.946 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.031 2.283 12.357 1.00 1.00 H new ATOM 0 HG3 LYS A 18 1.404 1.107 13.602 1.00 1.00 H new ATOM 0 HD2 LYS A 18 3.661 2.833 12.551 1.00 1.00 H new ATOM 0 HD3 LYS A 18 2.492 3.570 13.628 1.00 1.00 H new ATOM 0 HE2 LYS A 18 4.251 2.775 15.059 1.00 1.00 H new ATOM 0 HE3 LYS A 18 2.937 1.635 15.272 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 5.402 0.869 14.772 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 4.061 -0.014 14.220 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 4.880 1.034 13.165 1.00 1.00 H new ATOM 256 N LYS A 19 4.241 2.817 10.268 1.00 1.00 N ATOM 257 CA LYS A 19 4.880 4.165 10.205 1.00 1.00 C ATOM 258 C LYS A 19 4.716 4.767 8.796 1.00 1.00 C ATOM 259 O LYS A 19 4.513 5.959 8.660 1.00 1.00 O ATOM 260 CB LYS A 19 6.370 4.036 10.593 1.00 1.00 C ATOM 261 CG LYS A 19 7.158 3.065 9.727 1.00 1.00 C ATOM 262 CD LYS A 19 8.594 2.969 10.273 1.00 1.00 C ATOM 263 CE LYS A 19 8.603 2.205 11.618 1.00 1.00 C ATOM 264 NZ LYS A 19 9.845 2.530 12.358 1.00 1.00 N ATOM 0 H LYS A 19 4.880 2.025 10.340 1.00 1.00 H new ATOM 0 HA LYS A 19 4.393 4.840 10.909 1.00 1.00 H new ATOM 0 HB2 LYS A 19 6.836 5.020 10.533 1.00 1.00 H new ATOM 0 HB3 LYS A 19 6.437 3.715 11.632 1.00 1.00 H new ATOM 0 HG2 LYS A 19 6.685 2.083 9.734 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.170 3.406 8.692 1.00 1.00 H new ATOM 0 HD2 LYS A 19 9.232 2.458 9.552 1.00 1.00 H new ATOM 0 HD3 LYS A 19 9.006 3.969 10.411 1.00 1.00 H new ATOM 0 HE2 LYS A 19 7.730 2.479 12.211 1.00 1.00 H new ATOM 0 HE3 LYS A 19 8.543 1.131 11.440 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 9.854 2.018 13.263 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 10.670 2.247 11.792 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 9.883 3.553 12.539 1.00 1.00 H new ATOM 278 N LEU A 20 4.806 3.931 7.789 1.00 1.00 N ATOM 279 CA LEU A 20 4.669 4.366 6.383 1.00 1.00 C ATOM 280 C LEU A 20 3.267 4.789 5.918 1.00 1.00 C ATOM 281 O LEU A 20 3.075 5.903 5.471 1.00 1.00 O ATOM 282 CB LEU A 20 5.154 3.219 5.510 1.00 1.00 C ATOM 283 CG LEU A 20 6.676 2.973 5.620 1.00 1.00 C ATOM 284 CD1 LEU A 20 6.993 1.682 4.844 1.00 1.00 C ATOM 285 CD2 LEU A 20 7.455 4.141 4.983 1.00 1.00 C ATOM 0 H LEU A 20 4.975 2.931 7.900 1.00 1.00 H new ATOM 0 HA LEU A 20 5.260 5.278 6.295 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.624 2.309 5.790 1.00 1.00 H new ATOM 0 HB3 LEU A 20 4.900 3.429 4.471 1.00 1.00 H new ATOM 0 HG LEU A 20 6.966 2.890 6.668 1.00 1.00 H new ATOM 0 HD11 LEU A 20 8.062 1.477 4.900 1.00 1.00 H new ATOM 0 HD12 LEU A 20 6.440 0.850 5.281 1.00 1.00 H new ATOM 0 HD13 LEU A 20 6.701 1.804 3.801 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.525 3.954 5.068 1.00 1.00 H new ATOM 0 HD22 LEU A 20 7.184 4.228 3.931 1.00 1.00 H new ATOM 0 HD23 LEU A 20 7.207 5.068 5.499 1.00 1.00 H new ATOM 297 N PHE A 21 2.333 3.880 6.041 1.00 1.00 N ATOM 298 CA PHE A 21 0.933 4.090 5.634 1.00 1.00 C ATOM 299 C PHE A 21 -0.008 4.311 6.813 1.00 1.00 C ATOM 300 O PHE A 21 -0.847 5.192 6.788 1.00 1.00 O ATOM 301 CB PHE A 21 0.630 2.841 4.839 1.00 1.00 C ATOM 302 CG PHE A 21 1.683 2.696 3.717 1.00 1.00 C ATOM 303 CD1 PHE A 21 1.653 3.546 2.627 1.00 1.00 C ATOM 304 CD2 PHE A 21 2.680 1.747 3.808 1.00 1.00 C ATOM 305 CE1 PHE A 21 2.612 3.446 1.642 1.00 1.00 C ATOM 306 CE2 PHE A 21 3.640 1.650 2.821 1.00 1.00 C ATOM 307 CZ PHE A 21 3.603 2.499 1.742 1.00 1.00 C ATOM 0 H PHE A 21 2.508 2.954 6.430 1.00 1.00 H new ATOM 0 HA PHE A 21 0.786 5.002 5.055 1.00 1.00 H new ATOM 0 HB2 PHE A 21 0.649 1.966 5.489 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -0.371 2.899 4.412 1.00 1.00 H new ATOM 0 HD1 PHE A 21 0.875 4.291 2.547 1.00 1.00 H new ATOM 0 HD2 PHE A 21 2.710 1.077 4.655 1.00 1.00 H new ATOM 0 HE1 PHE A 21 2.585 4.112 0.792 1.00 1.00 H new ATOM 0 HE2 PHE A 21 4.420 0.907 2.897 1.00 1.00 H new ATOM 0 HZ PHE A 21 4.355 2.422 0.970 1.00 1.00 H new ATOM 317 N GLY A 22 0.170 3.486 7.805 1.00 1.00 N ATOM 318 CA GLY A 22 -0.648 3.529 9.048 1.00 1.00 C ATOM 319 C GLY A 22 -1.334 2.172 9.204 1.00 1.00 C ATOM 320 O GLY A 22 -2.387 2.077 9.801 1.00 1.00 O ATOM 0 H GLY A 22 0.879 2.753 7.804 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -0.018 3.740 9.912 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -1.388 4.327 8.990 1.00 1.00 H new ATOM 324 N THR A 23 -0.706 1.161 8.653 1.00 1.00 N ATOM 325 CA THR A 23 -1.220 -0.212 8.705 1.00 1.00 C ATOM 326 C THR A 23 -0.283 -1.110 9.514 1.00 1.00 C ATOM 327 O THR A 23 0.909 -1.059 9.330 1.00 1.00 O ATOM 328 CB THR A 23 -1.318 -0.711 7.278 1.00 1.00 C ATOM 329 OG1 THR A 23 -0.183 -0.208 6.582 1.00 1.00 O ATOM 330 CG2 THR A 23 -2.543 -0.171 6.537 1.00 1.00 C ATOM 0 H THR A 23 0.178 1.254 8.152 1.00 1.00 H new ATOM 0 HA THR A 23 -2.195 -0.233 9.192 1.00 1.00 H new ATOM 0 HB THR A 23 -1.383 -1.799 7.311 1.00 1.00 H new ATOM 0 HG1 THR A 23 -0.209 -0.512 5.651 1.00 1.00 H new ATOM 0 HG21 THR A 23 -2.556 -0.565 5.521 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.449 -0.480 7.058 1.00 1.00 H new ATOM 0 HG23 THR A 23 -2.497 0.918 6.504 1.00 1.00 H new ATOM 338 N TYR A 24 -0.853 -1.911 10.378 1.00 1.00 N ATOM 339 CA TYR A 24 -0.013 -2.828 11.210 1.00 1.00 C ATOM 340 C TYR A 24 -0.234 -4.235 10.615 1.00 1.00 C ATOM 341 O TYR A 24 -0.129 -5.252 11.275 1.00 1.00 O ATOM 342 CB TYR A 24 -0.497 -2.716 12.683 1.00 1.00 C ATOM 343 CG TYR A 24 0.723 -2.740 13.610 1.00 1.00 C ATOM 344 CD1 TYR A 24 1.420 -3.908 13.861 1.00 1.00 C ATOM 345 CD2 TYR A 24 1.160 -1.571 14.195 1.00 1.00 C ATOM 346 CE1 TYR A 24 2.531 -3.901 14.676 1.00 1.00 C ATOM 347 CE2 TYR A 24 2.271 -1.563 15.012 1.00 1.00 C ATOM 348 CZ TYR A 24 2.965 -2.727 15.257 1.00 1.00 C ATOM 349 OH TYR A 24 4.080 -2.721 16.070 1.00 1.00 O ATOM 0 H TYR A 24 -1.858 -1.971 10.544 1.00 1.00 H new ATOM 0 HA TYR A 24 1.051 -2.591 11.204 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -1.060 -1.794 12.825 1.00 1.00 H new ATOM 0 HB3 TYR A 24 -1.169 -3.540 12.923 1.00 1.00 H new ATOM 0 HD1 TYR A 24 1.090 -4.834 13.414 1.00 1.00 H new ATOM 0 HD2 TYR A 24 0.626 -0.650 14.011 1.00 1.00 H new ATOM 0 HE1 TYR A 24 3.066 -4.821 14.861 1.00 1.00 H new ATOM 0 HE2 TYR A 24 2.599 -0.638 15.463 1.00 1.00 H new ATOM 0 HH TYR A 24 4.244 -1.811 16.393 1.00 1.00 H new ATOM 359 N ARG A 25 -0.542 -4.199 9.341 1.00 1.00 N ATOM 360 CA ARG A 25 -0.811 -5.369 8.492 1.00 1.00 C ATOM 361 C ARG A 25 0.078 -5.152 7.259 1.00 1.00 C ATOM 362 O ARG A 25 -0.266 -4.426 6.351 1.00 1.00 O ATOM 363 CB ARG A 25 -2.321 -5.363 8.162 1.00 1.00 C ATOM 364 CG ARG A 25 -2.559 -6.242 6.942 1.00 1.00 C ATOM 365 CD ARG A 25 -4.051 -6.523 6.740 1.00 1.00 C ATOM 366 NE ARG A 25 -4.192 -7.249 5.442 1.00 1.00 N ATOM 367 CZ ARG A 25 -4.607 -8.486 5.416 1.00 1.00 C ATOM 368 NH1 ARG A 25 -5.863 -8.741 5.658 1.00 1.00 N ATOM 369 NH2 ARG A 25 -3.745 -9.426 5.144 1.00 1.00 N ATOM 0 H ARG A 25 -0.619 -3.320 8.830 1.00 1.00 H new ATOM 0 HA ARG A 25 -0.590 -6.336 8.943 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -2.895 -5.733 9.012 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -2.661 -4.346 7.967 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -2.156 -5.753 6.055 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -2.022 -7.183 7.059 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -4.444 -7.123 7.561 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -4.619 -5.593 6.724 1.00 1.00 H new ATOM 0 HE ARG A 25 -3.962 -6.774 4.569 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -6.508 -7.978 5.864 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -6.201 -9.703 5.641 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -2.771 -9.187 4.958 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -4.045 -10.401 5.118 1.00 1.00 H new ATOM 383 N GLY A 26 1.217 -5.782 7.293 1.00 1.00 N ATOM 384 CA GLY A 26 2.209 -5.695 6.192 1.00 1.00 C ATOM 385 C GLY A 26 2.772 -7.096 5.985 1.00 1.00 C ATOM 386 O GLY A 26 2.735 -7.923 6.877 1.00 1.00 O ATOM 0 H GLY A 26 1.510 -6.375 8.069 1.00 1.00 H new ATOM 0 HA2 GLY A 26 1.740 -5.330 5.279 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.004 -4.994 6.444 1.00 1.00 H new ATOM 390 N LYS A 27 3.276 -7.326 4.809 1.00 1.00 N ATOM 391 CA LYS A 27 3.864 -8.669 4.502 1.00 1.00 C ATOM 392 C LYS A 27 5.278 -8.533 3.931 1.00 1.00 C ATOM 393 O LYS A 27 5.661 -7.492 3.438 1.00 1.00 O ATOM 394 CB LYS A 27 2.963 -9.430 3.492 1.00 1.00 C ATOM 395 CG LYS A 27 2.849 -8.689 2.156 1.00 1.00 C ATOM 396 CD LYS A 27 2.241 -9.578 1.049 1.00 1.00 C ATOM 397 CE LYS A 27 0.806 -10.065 1.322 1.00 1.00 C ATOM 398 NZ LYS A 27 0.782 -11.097 2.399 1.00 1.00 N ATOM 0 H LYS A 27 3.310 -6.650 4.046 1.00 1.00 H new ATOM 0 HA LYS A 27 3.920 -9.233 5.433 1.00 1.00 H new ATOM 0 HB2 LYS A 27 3.371 -10.426 3.321 1.00 1.00 H new ATOM 0 HB3 LYS A 27 1.969 -9.562 3.920 1.00 1.00 H new ATOM 0 HG2 LYS A 27 2.232 -7.800 2.286 1.00 1.00 H new ATOM 0 HG3 LYS A 27 3.837 -8.348 1.845 1.00 1.00 H new ATOM 0 HD2 LYS A 27 2.248 -9.021 0.112 1.00 1.00 H new ATOM 0 HD3 LYS A 27 2.883 -10.447 0.908 1.00 1.00 H new ATOM 0 HE2 LYS A 27 0.181 -9.220 1.611 1.00 1.00 H new ATOM 0 HE3 LYS A 27 0.380 -10.479 0.408 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 0.207 -11.907 2.091 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 1.752 -11.416 2.596 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 0.370 -10.689 3.262 1.00 1.00 H new ATOM 412 N CYS A 28 5.999 -9.619 4.025 1.00 1.00 N ATOM 413 CA CYS A 28 7.403 -9.683 3.521 1.00 1.00 C ATOM 414 C CYS A 28 7.447 -10.464 2.205 1.00 1.00 C ATOM 415 O CYS A 28 7.170 -11.646 2.169 1.00 1.00 O ATOM 416 CB CYS A 28 8.231 -10.358 4.595 1.00 1.00 C ATOM 417 SG CYS A 28 9.944 -10.826 4.250 1.00 1.00 S ATOM 0 H CYS A 28 5.664 -10.488 4.441 1.00 1.00 H new ATOM 0 HA CYS A 28 7.801 -8.689 3.317 1.00 1.00 H new ATOM 0 HB2 CYS A 28 8.243 -9.695 5.460 1.00 1.00 H new ATOM 0 HB3 CYS A 28 7.701 -11.262 4.894 1.00 1.00 H new ATOM 422 N MET A 29 7.803 -9.747 1.168 1.00 1.00 N ATOM 423 CA MET A 29 7.905 -10.315 -0.207 1.00 1.00 C ATOM 424 C MET A 29 9.248 -9.889 -0.759 1.00 1.00 C ATOM 425 O MET A 29 9.695 -8.798 -0.479 1.00 1.00 O ATOM 426 CB MET A 29 6.801 -9.751 -1.100 1.00 1.00 C ATOM 427 CG MET A 29 5.464 -10.439 -0.827 1.00 1.00 C ATOM 428 SD MET A 29 5.277 -12.169 -1.337 1.00 1.00 S ATOM 429 CE MET A 29 5.389 -13.008 0.257 1.00 1.00 C ATOM 0 H MET A 29 8.035 -8.755 1.224 1.00 1.00 H new ATOM 0 HA MET A 29 7.803 -11.400 -0.178 1.00 1.00 H new ATOM 0 HB2 MET A 29 6.703 -8.679 -0.929 1.00 1.00 H new ATOM 0 HB3 MET A 29 7.074 -9.883 -2.147 1.00 1.00 H new ATOM 0 HG2 MET A 29 5.273 -10.384 0.245 1.00 1.00 H new ATOM 0 HG3 MET A 29 4.683 -9.859 -1.320 1.00 1.00 H new ATOM 0 HE1 MET A 29 4.798 -13.924 0.229 1.00 1.00 H new ATOM 0 HE2 MET A 29 6.430 -13.254 0.466 1.00 1.00 H new ATOM 0 HE3 MET A 29 5.006 -12.354 1.040 1.00 1.00 H new ATOM 439 N ASN A 30 9.815 -10.765 -1.544 1.00 1.00 N ATOM 440 CA ASN A 30 11.153 -10.568 -2.200 1.00 1.00 C ATOM 441 C ASN A 30 12.055 -9.791 -1.226 1.00 1.00 C ATOM 442 O ASN A 30 12.509 -8.688 -1.464 1.00 1.00 O ATOM 443 CB ASN A 30 10.962 -9.799 -3.554 1.00 1.00 C ATOM 444 CG ASN A 30 10.253 -8.447 -3.402 1.00 1.00 C ATOM 445 OD1 ASN A 30 9.066 -8.368 -3.157 1.00 1.00 O ATOM 446 ND2 ASN A 30 10.954 -7.357 -3.544 1.00 1.00 N ATOM 0 H ASN A 30 9.383 -11.661 -1.772 1.00 1.00 H new ATOM 0 HA ASN A 30 11.624 -11.524 -2.429 1.00 1.00 H new ATOM 0 HB2 ASN A 30 11.939 -9.638 -4.011 1.00 1.00 H new ATOM 0 HB3 ASN A 30 10.389 -10.424 -4.239 1.00 1.00 H new ATOM 0 HD21 ASN A 30 10.505 -6.446 -3.449 1.00 1.00 H new ATOM 0 HD22 ASN A 30 11.951 -7.415 -3.750 1.00 1.00 H new ATOM 453 N SER A 31 12.241 -10.495 -0.134 1.00 1.00 N ATOM 454 CA SER A 31 13.050 -10.077 1.041 1.00 1.00 C ATOM 455 C SER A 31 12.911 -8.593 1.397 1.00 1.00 C ATOM 456 O SER A 31 13.853 -7.986 1.866 1.00 1.00 O ATOM 457 CB SER A 31 14.542 -10.439 0.756 1.00 1.00 C ATOM 458 OG SER A 31 14.955 -9.633 -0.332 1.00 1.00 O ATOM 0 H SER A 31 11.825 -11.418 -0.012 1.00 1.00 H new ATOM 0 HA SER A 31 12.673 -10.613 1.912 1.00 1.00 H new ATOM 0 HB2 SER A 31 15.160 -10.251 1.634 1.00 1.00 H new ATOM 0 HB3 SER A 31 14.644 -11.497 0.515 1.00 1.00 H new ATOM 0 HG SER A 31 15.892 -9.827 -0.546 1.00 1.00 H new ATOM 464 N LYS A 32 11.731 -8.060 1.169 1.00 1.00 N ATOM 465 CA LYS A 32 11.505 -6.611 1.498 1.00 1.00 C ATOM 466 C LYS A 32 10.092 -6.464 2.059 1.00 1.00 C ATOM 467 O LYS A 32 9.237 -7.272 1.748 1.00 1.00 O ATOM 468 CB LYS A 32 11.678 -5.721 0.216 1.00 1.00 C ATOM 469 CG LYS A 32 10.411 -5.634 -0.656 1.00 1.00 C ATOM 470 CD LYS A 32 10.658 -4.613 -1.786 1.00 1.00 C ATOM 471 CE LYS A 32 9.330 -4.274 -2.490 1.00 1.00 C ATOM 472 NZ LYS A 32 8.642 -5.510 -2.958 1.00 1.00 N ATOM 0 H LYS A 32 10.929 -8.553 0.777 1.00 1.00 H new ATOM 0 HA LYS A 32 12.237 -6.279 2.234 1.00 1.00 H new ATOM 0 HB2 LYS A 32 11.968 -4.715 0.520 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.495 -6.121 -0.385 1.00 1.00 H new ATOM 0 HG2 LYS A 32 10.173 -6.612 -1.075 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.556 -5.330 -0.052 1.00 1.00 H new ATOM 0 HD2 LYS A 32 11.104 -3.706 -1.377 1.00 1.00 H new ATOM 0 HD3 LYS A 32 11.367 -5.020 -2.506 1.00 1.00 H new ATOM 0 HE2 LYS A 32 8.680 -3.729 -1.805 1.00 1.00 H new ATOM 0 HE3 LYS A 32 9.522 -3.617 -3.338 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 7.654 -5.289 -3.194 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 9.126 -5.878 -3.802 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 8.666 -6.227 -2.205 1.00 1.00 H new ATOM 486 N CYS A 33 9.860 -5.453 2.862 1.00 1.00 N ATOM 487 CA CYS A 33 8.481 -5.300 3.421 1.00 1.00 C ATOM 488 C CYS A 33 7.473 -4.831 2.364 1.00 1.00 C ATOM 489 O CYS A 33 7.836 -4.314 1.327 1.00 1.00 O ATOM 490 CB CYS A 33 8.553 -4.305 4.592 1.00 1.00 C ATOM 491 SG CYS A 33 7.028 -3.719 5.370 1.00 1.00 S ATOM 0 H CYS A 33 10.541 -4.749 3.147 1.00 1.00 H new ATOM 0 HA CYS A 33 8.125 -6.271 3.765 1.00 1.00 H new ATOM 0 HB2 CYS A 33 9.160 -4.764 5.372 1.00 1.00 H new ATOM 0 HB3 CYS A 33 9.096 -3.428 4.240 1.00 1.00 H new ATOM 496 N ARG A 34 6.222 -5.052 2.652 1.00 1.00 N ATOM 497 CA ARG A 34 5.138 -4.637 1.738 1.00 1.00 C ATOM 498 C ARG A 34 4.004 -4.247 2.662 1.00 1.00 C ATOM 499 O ARG A 34 3.853 -4.770 3.747 1.00 1.00 O ATOM 500 CB ARG A 34 4.712 -5.783 0.876 1.00 1.00 C ATOM 501 CG ARG A 34 3.832 -5.270 -0.251 1.00 1.00 C ATOM 502 CD ARG A 34 3.384 -6.430 -1.160 1.00 1.00 C ATOM 503 NE ARG A 34 4.585 -7.237 -1.543 1.00 1.00 N ATOM 504 CZ ARG A 34 4.965 -7.339 -2.789 1.00 1.00 C ATOM 505 NH1 ARG A 34 4.091 -7.648 -3.706 1.00 1.00 N ATOM 506 NH2 ARG A 34 6.220 -7.130 -3.071 1.00 1.00 N ATOM 0 H ARG A 34 5.904 -5.514 3.504 1.00 1.00 H new ATOM 0 HA ARG A 34 5.444 -3.831 1.071 1.00 1.00 H new ATOM 0 HB2 ARG A 34 5.587 -6.289 0.467 1.00 1.00 H new ATOM 0 HB3 ARG A 34 4.168 -6.517 1.471 1.00 1.00 H new ATOM 0 HG2 ARG A 34 2.958 -4.767 0.163 1.00 1.00 H new ATOM 0 HG3 ARG A 34 4.377 -4.531 -0.838 1.00 1.00 H new ATOM 0 HD2 ARG A 34 2.658 -7.057 -0.641 1.00 1.00 H new ATOM 0 HD3 ARG A 34 2.891 -6.042 -2.051 1.00 1.00 H new ATOM 0 HE ARG A 34 5.117 -7.717 -0.817 1.00 1.00 H new ATOM 0 HH11 ARG A 34 3.117 -7.809 -3.449 1.00 1.00 H new ATOM 0 HH12 ARG A 34 4.381 -7.729 -4.680 1.00 1.00 H new ATOM 0 HH21 ARG A 34 6.877 -6.894 -2.328 1.00 1.00 H new ATOM 0 HH22 ARG A 34 6.545 -7.203 -4.035 1.00 1.00 H new ATOM 520 N CYS A 35 3.239 -3.330 2.177 1.00 1.00 N ATOM 521 CA CYS A 35 2.086 -2.808 2.906 1.00 1.00 C ATOM 522 C CYS A 35 0.829 -3.037 2.074 1.00 1.00 C ATOM 523 O CYS A 35 0.901 -3.543 0.969 1.00 1.00 O ATOM 524 CB CYS A 35 2.480 -1.389 3.143 1.00 1.00 C ATOM 525 SG CYS A 35 3.990 -1.211 4.127 1.00 1.00 S ATOM 0 H CYS A 35 3.379 -2.905 1.260 1.00 1.00 H new ATOM 0 HA CYS A 35 1.840 -3.284 3.856 1.00 1.00 H new ATOM 0 HB2 CYS A 35 2.622 -0.895 2.182 1.00 1.00 H new ATOM 0 HB3 CYS A 35 1.664 -0.874 3.649 1.00 1.00 H new ATOM 530 N TYR A 36 -0.281 -2.660 2.626 1.00 1.00 N ATOM 531 CA TYR A 36 -1.571 -2.844 1.904 1.00 1.00 C ATOM 532 C TYR A 36 -2.187 -1.481 1.540 1.00 1.00 C ATOM 533 O TYR A 36 -1.937 -1.010 0.450 1.00 1.00 O ATOM 534 CB TYR A 36 -2.487 -3.678 2.833 1.00 1.00 C ATOM 535 CG TYR A 36 -1.943 -5.118 3.081 1.00 1.00 C ATOM 536 CD1 TYR A 36 -0.719 -5.365 3.678 1.00 1.00 C ATOM 537 CD2 TYR A 36 -2.716 -6.204 2.708 1.00 1.00 C ATOM 538 CE1 TYR A 36 -0.285 -6.656 3.895 1.00 1.00 C ATOM 539 CE2 TYR A 36 -2.278 -7.494 2.928 1.00 1.00 C ATOM 540 CZ TYR A 36 -1.058 -7.727 3.527 1.00 1.00 C ATOM 541 OH TYR A 36 -0.621 -9.013 3.769 1.00 1.00 O ATOM 0 H TYR A 36 -0.357 -2.231 3.548 1.00 1.00 H new ATOM 0 HA TYR A 36 -1.431 -3.368 0.959 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -2.592 -3.164 3.789 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -3.482 -3.741 2.393 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -0.095 -4.536 3.978 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -3.675 -6.040 2.239 1.00 1.00 H new ATOM 0 HE1 TYR A 36 0.675 -6.825 4.360 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -2.896 -8.328 2.629 1.00 1.00 H new ATOM 0 HH TYR A 36 -0.790 -9.245 4.706 1.00 1.00 H new