USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 521 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: B 14 LYS NZ :NH3+ -173:sc= -2.12 (180deg=-1.89) USER MOD Set 1.2: B 29 LYS NZ :NH3+ -153:sc= -3.45 (180deg=-3.46!) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= -0.0152 (180deg=-0.19) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc=-0.00822 (180deg=-0.181) USER MOD Single : A 10 THR OG1 : rot 74:sc= 0.509 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.0351 (180deg=-0.355) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc=-0.00737 (180deg=-0.141) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 81:sc= 0.832 USER MOD Single : A 29 TYR OH : rot 56:sc= 0.0199 USER MOD Single : A 31 LYS NZ :NH3+ 139:sc= -1.02 (180deg=-2.42!) USER MOD Single : A 36 LYS NZ :NH3+ -106:sc= -1.55 (180deg=-3.19!) USER MOD Single : B 6 LYS NZ :NH3+ -173:sc= -1.68 (180deg=-1.96) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 MET CE :methyl 168:sc= -0.139 (180deg=-0.398) USER MOD Single : B 18 LYS NZ :NH3+ -129:sc= 0.548 (180deg=-0.304) USER MOD Single : B 19 LYS NZ :NH3+ 141:sc= -0.824 (180deg=-3.2!) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot -160:sc= 0 USER MOD Single : B 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -163:sc= -0.0398 (180deg=-0.367) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 0.991 -12.630 2.425 1.00 0.00 N ATOM 27 CA ILE A 3 -0.384 -12.227 2.776 1.00 0.00 C ATOM 28 C ILE A 3 -1.378 -13.092 1.978 1.00 0.00 C ATOM 29 O ILE A 3 -1.156 -13.394 0.804 1.00 0.00 O ATOM 30 CB ILE A 3 -0.564 -10.726 2.416 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.384 -9.825 3.249 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.031 -10.256 2.522 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.277 -8.316 2.939 1.00 0.00 C ATOM 0 HA ILE A 3 -0.568 -12.368 3.841 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.285 -10.625 1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.174 -9.980 4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.412 -10.145 3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.095 -9.200 2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.650 -10.838 1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.386 -10.398 3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.976 -7.765 3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.518 -8.142 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.739 -7.975 3.139 1.00 0.00 H new ATOM 45 N PRO A 4 -2.497 -13.519 2.581 1.00 0.00 N ATOM 46 CA PRO A 4 -3.502 -14.359 1.904 1.00 0.00 C ATOM 47 C PRO A 4 -4.448 -13.560 0.998 1.00 0.00 C ATOM 48 O PRO A 4 -4.585 -12.338 1.058 1.00 0.00 O ATOM 49 CB PRO A 4 -4.278 -14.968 3.081 1.00 0.00 C ATOM 50 CG PRO A 4 -4.278 -13.836 4.097 1.00 0.00 C ATOM 51 CD PRO A 4 -2.851 -13.279 3.990 1.00 0.00 C ATOM 0 HA PRO A 4 -3.040 -15.087 1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.289 -15.256 2.794 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.790 -15.862 3.470 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.026 -13.080 3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.497 -14.196 5.102 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -2.814 -12.218 4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.168 -13.790 4.669 1.00 0.00 H new ATOM 59 N LYS A 5 -5.151 -14.325 0.157 1.00 0.00 N ATOM 60 CA LYS A 5 -6.111 -13.776 -0.820 1.00 0.00 C ATOM 61 C LYS A 5 -7.160 -12.870 -0.162 1.00 0.00 C ATOM 62 O LYS A 5 -7.473 -11.772 -0.624 1.00 0.00 O ATOM 63 CB LYS A 5 -6.807 -14.957 -1.534 1.00 0.00 C ATOM 64 CG LYS A 5 -7.844 -14.521 -2.594 1.00 0.00 C ATOM 65 CD LYS A 5 -8.528 -15.721 -3.287 1.00 0.00 C ATOM 66 CE LYS A 5 -7.564 -16.595 -4.116 1.00 0.00 C ATOM 67 NZ LYS A 5 -6.950 -15.791 -5.185 1.00 0.00 N ATOM 0 H LYS A 5 -5.074 -15.342 0.130 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.564 -13.158 -1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.049 -15.577 -2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.303 -15.579 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.603 -13.899 -2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.352 -13.904 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.006 -16.342 -2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.318 -15.350 -3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.789 -17.009 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.104 -17.438 -4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.452 -16.418 -5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.690 -15.267 -5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.274 -15.119 -4.769 1.00 0.00 H new ATOM 81 N LYS A 6 -7.709 -13.367 0.950 1.00 0.00 N ATOM 82 CA LYS A 6 -8.735 -12.634 1.717 1.00 0.00 C ATOM 83 C LYS A 6 -8.295 -11.204 2.052 1.00 0.00 C ATOM 84 O LYS A 6 -8.960 -10.219 1.734 1.00 0.00 O ATOM 85 CB LYS A 6 -9.049 -13.412 3.016 1.00 0.00 C ATOM 86 CG LYS A 6 -10.045 -12.688 3.952 1.00 0.00 C ATOM 87 CD LYS A 6 -11.407 -12.391 3.288 1.00 0.00 C ATOM 88 CE LYS A 6 -12.374 -11.632 4.218 1.00 0.00 C ATOM 89 NZ LYS A 6 -12.672 -12.447 5.407 1.00 0.00 N ATOM 0 H LYS A 6 -7.463 -14.275 1.344 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.629 -12.557 1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.455 -14.389 2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.119 -13.588 3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.208 -13.299 4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.601 -11.751 4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.245 -11.804 2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.868 -13.330 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.932 -10.682 4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.296 -11.399 3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.460 -12.018 5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.936 -13.408 5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.831 -12.491 6.017 1.00 0.00 H new ATOM 103 N ILE A 7 -7.130 -11.104 2.701 1.00 0.00 N ATOM 104 CA ILE A 7 -6.568 -9.799 3.097 1.00 0.00 C ATOM 105 C ILE A 7 -6.387 -8.858 1.897 1.00 0.00 C ATOM 106 O ILE A 7 -6.721 -7.677 1.940 1.00 0.00 O ATOM 107 CB ILE A 7 -5.225 -10.003 3.847 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.418 -10.771 5.180 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.462 -8.673 4.078 1.00 0.00 C ATOM 110 CD1 ILE A 7 -6.261 -10.015 6.231 1.00 0.00 C ATOM 0 H ILE A 7 -6.556 -11.905 2.964 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.282 -9.321 3.768 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.606 -10.617 3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.895 -11.728 4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.439 -10.990 5.605 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.530 -8.875 4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.241 -8.209 3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.078 -7.999 4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.347 -10.621 7.133 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.776 -9.070 6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.255 -9.820 5.828 1.00 0.00 H new ATOM 122 N TRP A 8 -5.840 -9.404 0.805 1.00 0.00 N ATOM 123 CA TRP A 8 -5.619 -8.627 -0.432 1.00 0.00 C ATOM 124 C TRP A 8 -6.886 -7.934 -0.960 1.00 0.00 C ATOM 125 O TRP A 8 -6.882 -6.787 -1.408 1.00 0.00 O ATOM 126 CB TRP A 8 -5.021 -9.537 -1.527 1.00 0.00 C ATOM 127 CG TRP A 8 -3.554 -9.844 -1.207 1.00 0.00 C ATOM 128 CD1 TRP A 8 -2.967 -11.113 -1.078 1.00 0.00 C ATOM 129 CD2 TRP A 8 -2.500 -8.926 -1.029 1.00 0.00 C ATOM 130 NE1 TRP A 8 -1.634 -11.012 -0.832 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.324 -9.684 -0.799 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.434 -7.533 -1.081 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.110 -9.020 -0.610 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.211 -6.885 -0.902 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.053 -7.626 -0.662 1.00 0.00 C ATOM 0 H TRP A 8 -5.541 -10.378 0.747 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.918 -7.833 -0.175 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.590 -10.465 -1.592 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.096 -9.049 -2.499 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.504 -12.046 -1.163 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.985 -11.787 -0.697 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.329 -6.956 -1.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.789 -9.588 -0.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.161 -5.807 -0.949 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.890 -7.120 -0.516 1.00 0.00 H new ATOM 146 N GLU A 9 -7.996 -8.673 -0.925 1.00 0.00 N ATOM 147 CA GLU A 9 -9.298 -8.118 -1.341 1.00 0.00 C ATOM 148 C GLU A 9 -9.844 -7.081 -0.348 1.00 0.00 C ATOM 149 O GLU A 9 -10.454 -6.073 -0.705 1.00 0.00 O ATOM 150 CB GLU A 9 -10.323 -9.252 -1.566 1.00 0.00 C ATOM 151 CG GLU A 9 -9.857 -10.277 -2.628 1.00 0.00 C ATOM 152 CD GLU A 9 -9.396 -9.565 -3.912 1.00 0.00 C ATOM 153 OE1 GLU A 9 -10.223 -8.957 -4.588 1.00 0.00 O ATOM 154 OE2 GLU A 9 -8.206 -9.624 -4.215 1.00 0.00 O ATOM 0 H GLU A 9 -8.027 -9.645 -0.618 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.134 -7.595 -2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.501 -9.768 -0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.274 -8.820 -1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.040 -10.877 -2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.672 -10.963 -2.860 1.00 0.00 H new ATOM 161 N THR A 10 -9.631 -7.358 0.941 1.00 0.00 N ATOM 162 CA THR A 10 -10.073 -6.453 2.022 1.00 0.00 C ATOM 163 C THR A 10 -9.390 -5.075 1.944 1.00 0.00 C ATOM 164 O THR A 10 -9.985 -4.021 2.166 1.00 0.00 O ATOM 165 CB THR A 10 -9.807 -7.118 3.395 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.520 -8.358 3.463 1.00 0.00 O ATOM 167 CG2 THR A 10 -10.253 -6.242 4.584 1.00 0.00 C ATOM 0 H THR A 10 -9.156 -8.199 1.268 1.00 0.00 H new ATOM 0 HA THR A 10 -11.142 -6.281 1.900 1.00 0.00 H new ATOM 0 HB THR A 10 -8.730 -7.266 3.472 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.073 -9.024 2.899 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.041 -6.762 5.518 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.711 -5.297 4.563 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.323 -6.048 4.512 1.00 0.00 H new ATOM 175 N VAL A 11 -8.090 -5.104 1.629 1.00 0.00 N ATOM 176 CA VAL A 11 -7.282 -3.875 1.512 1.00 0.00 C ATOM 177 C VAL A 11 -7.523 -3.103 0.201 1.00 0.00 C ATOM 178 O VAL A 11 -7.109 -1.956 0.052 1.00 0.00 O ATOM 179 CB VAL A 11 -5.769 -4.177 1.677 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.454 -4.796 3.056 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.188 -5.043 0.538 1.00 0.00 C ATOM 0 H VAL A 11 -7.571 -5.963 1.450 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.614 -3.231 2.326 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.271 -3.209 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.384 -4.992 3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.752 -4.103 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.003 -5.731 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.127 -5.215 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.710 -5.999 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.316 -4.527 -0.413 1.00 0.00 H new ATOM 191 N CYS A 12 -8.193 -3.752 -0.768 1.00 0.00 N ATOM 192 CA CYS A 12 -8.500 -3.126 -2.076 1.00 0.00 C ATOM 193 C CYS A 12 -8.877 -1.633 -1.990 1.00 0.00 C ATOM 194 O CYS A 12 -8.200 -0.796 -2.588 1.00 0.00 O ATOM 195 CB CYS A 12 -9.650 -3.881 -2.785 1.00 0.00 C ATOM 196 SG CYS A 12 -9.166 -5.384 -3.670 1.00 0.00 S ATOM 0 H CYS A 12 -8.534 -4.709 -0.675 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.573 -3.195 -2.646 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.401 -4.145 -2.041 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.126 -3.201 -3.492 1.00 0.00 H new ATOM 201 N PRO A 13 -9.933 -1.251 -1.252 1.00 0.00 N ATOM 202 CA PRO A 13 -10.354 0.154 -1.096 1.00 0.00 C ATOM 203 C PRO A 13 -9.338 1.016 -0.335 1.00 0.00 C ATOM 204 O PRO A 13 -9.089 2.181 -0.647 1.00 0.00 O ATOM 205 CB PRO A 13 -11.681 0.056 -0.324 1.00 0.00 C ATOM 206 CG PRO A 13 -11.521 -1.219 0.489 1.00 0.00 C ATOM 207 CD PRO A 13 -10.818 -2.158 -0.500 1.00 0.00 C ATOM 0 HA PRO A 13 -10.446 0.647 -2.064 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.839 0.924 0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.535 -0.002 -0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.925 -1.056 1.387 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.483 -1.617 0.813 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.254 -2.936 0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.530 -2.660 -1.155 1.00 0.00 H new ATOM 215 N THR A 14 -8.754 0.414 0.705 1.00 0.00 N ATOM 216 CA THR A 14 -7.784 1.111 1.573 1.00 0.00 C ATOM 217 C THR A 14 -6.591 1.649 0.770 1.00 0.00 C ATOM 218 O THR A 14 -6.377 2.854 0.625 1.00 0.00 O ATOM 219 CB THR A 14 -7.293 0.135 2.672 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.418 -0.325 3.428 1.00 0.00 O ATOM 221 CG2 THR A 14 -6.273 0.782 3.633 1.00 0.00 C ATOM 0 H THR A 14 -8.932 -0.554 0.971 1.00 0.00 H new ATOM 0 HA THR A 14 -8.281 1.966 2.030 1.00 0.00 H new ATOM 0 HB THR A 14 -6.791 -0.692 2.170 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.113 -0.944 4.124 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.964 0.052 4.381 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.401 1.114 3.069 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.732 1.638 4.128 1.00 0.00 H new ATOM 229 N VAL A 15 -5.803 0.715 0.231 1.00 0.00 N ATOM 230 CA VAL A 15 -4.651 1.069 -0.621 1.00 0.00 C ATOM 231 C VAL A 15 -5.045 1.212 -2.104 1.00 0.00 C ATOM 232 O VAL A 15 -4.304 0.898 -3.036 1.00 0.00 O ATOM 233 CB VAL A 15 -3.524 0.014 -0.427 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.047 -0.033 1.041 1.00 0.00 C ATOM 235 CG2 VAL A 15 -3.921 -1.402 -0.905 1.00 0.00 C ATOM 0 H VAL A 15 -5.935 -0.288 0.365 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.281 2.047 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.700 0.343 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.260 -0.780 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.660 0.944 1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.884 -0.297 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.090 -2.088 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.791 -1.745 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.163 -1.373 -1.967 1.00 0.00 H new ATOM 245 N GLU A 16 -6.254 1.742 -2.316 1.00 0.00 N ATOM 246 CA GLU A 16 -6.759 2.008 -3.675 1.00 0.00 C ATOM 247 C GLU A 16 -6.029 3.192 -4.335 1.00 0.00 C ATOM 248 O GLU A 16 -5.419 3.030 -5.394 1.00 0.00 O ATOM 249 CB GLU A 16 -8.285 2.249 -3.629 1.00 0.00 C ATOM 250 CG GLU A 16 -8.916 2.491 -5.018 1.00 0.00 C ATOM 251 CD GLU A 16 -10.431 2.690 -4.871 1.00 0.00 C ATOM 252 OE1 GLU A 16 -11.119 1.747 -4.478 1.00 0.00 O ATOM 253 OE2 GLU A 16 -10.908 3.790 -5.150 1.00 0.00 O ATOM 0 H GLU A 16 -6.902 1.996 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.558 1.131 -4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.766 1.388 -3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.489 3.109 -2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.468 3.369 -5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.713 1.644 -5.673 1.00 0.00 H new ATOM 260 N PRO A 17 -6.045 4.399 -3.744 1.00 0.00 N ATOM 261 CA PRO A 17 -5.401 5.588 -4.332 1.00 0.00 C ATOM 262 C PRO A 17 -3.871 5.496 -4.339 1.00 0.00 C ATOM 263 O PRO A 17 -3.189 5.815 -5.310 1.00 0.00 O ATOM 264 CB PRO A 17 -5.878 6.743 -3.435 1.00 0.00 C ATOM 265 CG PRO A 17 -6.056 6.081 -2.079 1.00 0.00 C ATOM 266 CD PRO A 17 -6.665 4.721 -2.444 1.00 0.00 C ATOM 0 HA PRO A 17 -5.671 5.712 -5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.147 7.550 -3.396 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.811 7.175 -3.797 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.107 5.972 -1.554 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.714 6.658 -1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.436 3.965 -1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.751 4.776 -2.521 1.00 0.00 H new ATOM 274 N TRP A 18 -3.329 5.038 -3.208 1.00 0.00 N ATOM 275 CA TRP A 18 -1.870 5.016 -2.998 1.00 0.00 C ATOM 276 C TRP A 18 -1.152 4.073 -3.973 1.00 0.00 C ATOM 277 O TRP A 18 -0.158 4.416 -4.613 1.00 0.00 O ATOM 278 CB TRP A 18 -1.543 4.623 -1.539 1.00 0.00 C ATOM 279 CG TRP A 18 -2.386 5.460 -0.570 1.00 0.00 C ATOM 280 CD1 TRP A 18 -2.612 6.845 -0.621 1.00 0.00 C ATOM 281 CD2 TRP A 18 -3.073 5.013 0.573 1.00 0.00 C ATOM 282 NE1 TRP A 18 -3.391 7.253 0.417 1.00 0.00 N ATOM 283 CE2 TRP A 18 -3.686 6.149 1.164 1.00 0.00 C ATOM 284 CE3 TRP A 18 -3.200 3.760 1.174 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -4.427 5.992 2.336 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -3.941 3.619 2.347 1.00 0.00 C ATOM 287 CH2 TRP A 18 -4.557 4.731 2.926 1.00 0.00 C ATOM 0 H TRP A 18 -3.872 4.678 -2.423 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.504 6.024 -3.194 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.743 3.563 -1.386 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.483 4.779 -1.340 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.219 7.500 -1.384 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.698 8.208 0.603 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.724 2.898 0.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.903 6.849 2.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.039 2.648 2.809 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.135 4.617 3.831 1.00 0.00 H new ATOM 298 N ALA A 19 -1.680 2.849 -4.076 1.00 0.00 N ATOM 299 CA ALA A 19 -1.132 1.840 -5.007 1.00 0.00 C ATOM 300 C ALA A 19 -1.129 2.330 -6.464 1.00 0.00 C ATOM 301 O ALA A 19 -0.196 2.114 -7.238 1.00 0.00 O ATOM 302 CB ALA A 19 -1.958 0.541 -4.914 1.00 0.00 C ATOM 0 H ALA A 19 -2.481 2.528 -3.533 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.098 1.658 -4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.550 -0.200 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.914 0.154 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.995 0.749 -5.178 1.00 0.00 H new ATOM 308 N LYS A 20 -2.227 2.994 -6.833 1.00 0.00 N ATOM 309 CA LYS A 20 -2.403 3.532 -8.195 1.00 0.00 C ATOM 310 C LYS A 20 -1.350 4.604 -8.521 1.00 0.00 C ATOM 311 O LYS A 20 -0.562 4.505 -9.463 1.00 0.00 O ATOM 312 CB LYS A 20 -3.841 4.105 -8.295 1.00 0.00 C ATOM 313 CG LYS A 20 -4.271 4.625 -9.688 1.00 0.00 C ATOM 314 CD LYS A 20 -3.604 5.953 -10.118 1.00 0.00 C ATOM 315 CE LYS A 20 -4.174 6.511 -11.438 1.00 0.00 C ATOM 316 NZ LYS A 20 -5.601 6.832 -11.275 1.00 0.00 N ATOM 0 H LYS A 20 -3.013 3.175 -6.209 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.264 2.737 -8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.542 3.329 -7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.935 4.922 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.042 3.862 -10.432 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.353 4.760 -9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.738 6.693 -9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.531 5.796 -10.229 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.623 7.404 -11.732 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.046 5.780 -12.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.906 7.460 -12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.159 5.955 -11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.748 7.308 -10.362 1.00 0.00 H new ATOM 330 N LYS A 21 -1.345 5.652 -7.690 1.00 0.00 N ATOM 331 CA LYS A 21 -0.453 6.813 -7.873 1.00 0.00 C ATOM 332 C LYS A 21 1.029 6.421 -7.855 1.00 0.00 C ATOM 333 O LYS A 21 1.795 6.647 -8.792 1.00 0.00 O ATOM 334 CB LYS A 21 -0.727 7.832 -6.746 1.00 0.00 C ATOM 335 CG LYS A 21 -2.147 8.428 -6.797 1.00 0.00 C ATOM 336 CD LYS A 21 -2.454 9.295 -5.557 1.00 0.00 C ATOM 337 CE LYS A 21 -3.891 9.851 -5.552 1.00 0.00 C ATOM 338 NZ LYS A 21 -4.093 10.728 -6.716 1.00 0.00 N ATOM 0 H LYS A 21 -1.954 5.724 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.662 7.245 -8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.579 7.346 -5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.002 8.640 -6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.255 9.032 -7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.877 7.621 -6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.297 8.700 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.749 10.125 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.608 9.030 -5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.072 10.406 -4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.998 11.231 -6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.317 11.419 -6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.106 10.155 -7.584 1.00 0.00 H new ATOM 352 N CYS A 22 1.428 5.813 -6.736 1.00 0.00 N ATOM 353 CA CYS A 22 2.809 5.326 -6.570 1.00 0.00 C ATOM 354 C CYS A 22 3.111 4.146 -7.504 1.00 0.00 C ATOM 355 O CYS A 22 2.241 3.459 -8.034 1.00 0.00 O ATOM 356 CB CYS A 22 3.012 4.930 -5.092 1.00 0.00 C ATOM 357 SG CYS A 22 4.718 4.445 -4.744 1.00 0.00 S ATOM 0 H CYS A 22 0.822 5.644 -5.933 1.00 0.00 H new ATOM 0 HA CYS A 22 3.505 6.120 -6.840 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.736 5.768 -4.452 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.344 4.106 -4.843 1.00 0.00 H new ATOM 362 N SER A 23 4.414 3.914 -7.688 1.00 0.00 N ATOM 363 CA SER A 23 4.893 2.872 -8.617 1.00 0.00 C ATOM 364 C SER A 23 6.220 2.265 -8.152 1.00 0.00 C ATOM 365 O SER A 23 6.967 2.785 -7.322 1.00 0.00 O ATOM 366 CB SER A 23 5.085 3.490 -10.020 1.00 0.00 C ATOM 367 OG SER A 23 3.833 3.969 -10.522 1.00 0.00 O ATOM 0 H SER A 23 5.156 4.427 -7.212 1.00 0.00 H new ATOM 0 HA SER A 23 4.147 2.078 -8.645 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.803 4.309 -9.970 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.498 2.745 -10.701 1.00 0.00 H new ATOM 0 HG SER A 23 3.965 4.360 -11.411 1.00 0.00 H new ATOM 373 N GLY A 24 6.508 1.105 -8.747 1.00 0.00 N ATOM 374 CA GLY A 24 7.704 0.315 -8.405 1.00 0.00 C ATOM 375 C GLY A 24 7.414 -1.185 -8.529 1.00 0.00 C ATOM 376 O GLY A 24 6.343 -1.637 -8.933 1.00 0.00 O ATOM 0 H GLY A 24 5.928 0.686 -9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.527 0.587 -9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.021 0.547 -7.388 1.00 0.00 H new ATOM 380 N ASP A 25 8.423 -1.976 -8.164 1.00 0.00 N ATOM 381 CA ASP A 25 8.278 -3.445 -8.113 1.00 0.00 C ATOM 382 C ASP A 25 7.175 -3.857 -7.128 1.00 0.00 C ATOM 383 O ASP A 25 6.288 -4.667 -7.399 1.00 0.00 O ATOM 384 CB ASP A 25 9.620 -4.079 -7.683 1.00 0.00 C ATOM 385 CG ASP A 25 10.729 -3.707 -8.675 1.00 0.00 C ATOM 386 OD1 ASP A 25 10.673 -4.151 -9.824 1.00 0.00 O ATOM 387 OD2 ASP A 25 11.635 -2.968 -8.295 1.00 0.00 O ATOM 0 H ASP A 25 9.347 -1.635 -7.899 1.00 0.00 H new ATOM 0 HA ASP A 25 8.000 -3.799 -9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.888 -3.737 -6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.518 -5.163 -7.632 1.00 0.00 H new ATOM 392 N ILE A 26 7.261 -3.254 -5.939 1.00 0.00 N ATOM 393 CA ILE A 26 6.291 -3.490 -4.853 1.00 0.00 C ATOM 394 C ILE A 26 4.876 -3.063 -5.267 1.00 0.00 C ATOM 395 O ILE A 26 3.893 -3.786 -5.113 1.00 0.00 O ATOM 396 CB ILE A 26 6.722 -2.695 -3.593 1.00 0.00 C ATOM 397 CG1 ILE A 26 8.207 -2.924 -3.218 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.798 -3.007 -2.394 1.00 0.00 C ATOM 399 CD1 ILE A 26 8.553 -4.391 -2.887 1.00 0.00 C ATOM 0 H ILE A 26 7.998 -2.592 -5.698 1.00 0.00 H new ATOM 0 HA ILE A 26 6.276 -4.558 -4.636 1.00 0.00 H new ATOM 0 HB ILE A 26 6.620 -1.639 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.835 -2.591 -4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.454 -2.301 -2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.124 -2.436 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.773 -2.734 -2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.844 -4.072 -2.166 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.611 -4.467 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.953 -4.724 -2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.340 -5.019 -3.752 1.00 0.00 H new ATOM 411 N ALA A 27 4.790 -1.841 -5.801 1.00 0.00 N ATOM 412 CA ALA A 27 3.506 -1.264 -6.250 1.00 0.00 C ATOM 413 C ALA A 27 2.769 -2.180 -7.239 1.00 0.00 C ATOM 414 O ALA A 27 1.568 -2.435 -7.144 1.00 0.00 O ATOM 415 CB ALA A 27 3.769 0.101 -6.917 1.00 0.00 C ATOM 0 H ALA A 27 5.593 -1.226 -5.936 1.00 0.00 H new ATOM 0 HA ALA A 27 2.870 -1.149 -5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.825 0.531 -7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.240 0.772 -6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.429 -0.034 -7.774 1.00 0.00 H new ATOM 421 N THR A 28 3.534 -2.678 -8.214 1.00 0.00 N ATOM 422 CA THR A 28 3.012 -3.609 -9.235 1.00 0.00 C ATOM 423 C THR A 28 2.427 -4.882 -8.605 1.00 0.00 C ATOM 424 O THR A 28 1.340 -5.350 -8.943 1.00 0.00 O ATOM 425 CB THR A 28 4.149 -3.978 -10.221 1.00 0.00 C ATOM 426 OG1 THR A 28 4.600 -2.792 -10.884 1.00 0.00 O ATOM 427 CG2 THR A 28 3.720 -5.004 -11.293 1.00 0.00 C ATOM 0 H THR A 28 4.523 -2.454 -8.323 1.00 0.00 H new ATOM 0 HA THR A 28 2.203 -3.109 -9.768 1.00 0.00 H new ATOM 0 HB THR A 28 4.941 -4.436 -9.629 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.215 -2.303 -10.298 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.563 -5.218 -11.950 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.396 -5.924 -10.807 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.897 -4.595 -11.880 1.00 0.00 H new ATOM 435 N TYR A 29 3.194 -5.451 -7.668 1.00 0.00 N ATOM 436 CA TYR A 29 2.779 -6.674 -6.957 1.00 0.00 C ATOM 437 C TYR A 29 1.418 -6.495 -6.273 1.00 0.00 C ATOM 438 O TYR A 29 0.454 -7.213 -6.534 1.00 0.00 O ATOM 439 CB TYR A 29 3.878 -7.069 -5.938 1.00 0.00 C ATOM 440 CG TYR A 29 3.544 -8.280 -5.091 1.00 0.00 C ATOM 441 CD1 TYR A 29 2.607 -8.184 -4.057 1.00 0.00 C ATOM 442 CD2 TYR A 29 4.160 -9.508 -5.353 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.288 -9.306 -3.291 1.00 0.00 C ATOM 444 CE2 TYR A 29 3.840 -10.630 -4.586 1.00 0.00 C ATOM 445 CZ TYR A 29 2.904 -10.530 -3.555 1.00 0.00 C ATOM 446 OH TYR A 29 2.584 -11.637 -2.795 1.00 0.00 O ATOM 0 H TYR A 29 4.104 -5.088 -7.382 1.00 0.00 H new ATOM 0 HA TYR A 29 2.659 -7.480 -7.681 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.804 -7.264 -6.479 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.066 -6.221 -5.279 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.129 -7.238 -3.851 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.884 -9.589 -6.150 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.564 -9.227 -2.493 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.317 -11.577 -4.791 1.00 0.00 H new ATOM 0 HH TYR A 29 1.617 -11.791 -2.832 1.00 0.00 H new ATOM 456 N ILE A 30 1.353 -5.483 -5.401 1.00 0.00 N ATOM 457 CA ILE A 30 0.130 -5.148 -4.640 1.00 0.00 C ATOM 458 C ILE A 30 -1.091 -4.992 -5.560 1.00 0.00 C ATOM 459 O ILE A 30 -2.185 -5.502 -5.319 1.00 0.00 O ATOM 460 CB ILE A 30 0.369 -3.823 -3.863 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.523 -3.956 -2.840 1.00 0.00 C ATOM 462 CG2 ILE A 30 -0.922 -3.319 -3.172 1.00 0.00 C ATOM 463 CD1 ILE A 30 1.957 -2.598 -2.246 1.00 0.00 C ATOM 0 H ILE A 30 2.142 -4.870 -5.198 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.079 -5.966 -3.950 1.00 0.00 H new ATOM 0 HB ILE A 30 0.663 -3.077 -4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.211 -4.618 -2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.379 -4.426 -3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.712 -2.391 -2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.691 -3.140 -3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.274 -4.071 -2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.769 -2.754 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.297 -1.942 -3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.111 -2.137 -1.735 1.00 0.00 H new ATOM 475 N LYS A 31 -0.863 -4.249 -6.648 1.00 0.00 N ATOM 476 CA LYS A 31 -1.909 -3.962 -7.646 1.00 0.00 C ATOM 477 C LYS A 31 -2.531 -5.253 -8.203 1.00 0.00 C ATOM 478 O LYS A 31 -3.742 -5.391 -8.377 1.00 0.00 O ATOM 479 CB LYS A 31 -1.285 -3.134 -8.794 1.00 0.00 C ATOM 480 CG LYS A 31 -2.325 -2.569 -9.789 1.00 0.00 C ATOM 481 CD LYS A 31 -3.336 -1.595 -9.142 1.00 0.00 C ATOM 482 CE LYS A 31 -2.669 -0.356 -8.507 1.00 0.00 C ATOM 483 NZ LYS A 31 -3.700 0.505 -7.909 1.00 0.00 N ATOM 0 H LYS A 31 0.042 -3.831 -6.864 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.708 -3.399 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.717 -2.307 -8.367 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.577 -3.759 -9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.802 -2.054 -10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.870 -3.398 -10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.049 -1.268 -9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.903 -2.126 -8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.953 -0.666 -7.746 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.112 0.197 -9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.362 0.868 -6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.899 1.303 -8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.570 -0.046 -7.762 1.00 0.00 H new ATOM 497 N ARG A 32 -1.652 -6.218 -8.493 1.00 0.00 N ATOM 498 CA ARG A 32 -2.079 -7.545 -8.974 1.00 0.00 C ATOM 499 C ARG A 32 -2.941 -8.286 -7.943 1.00 0.00 C ATOM 500 O ARG A 32 -3.944 -8.922 -8.257 1.00 0.00 O ATOM 501 CB ARG A 32 -0.843 -8.406 -9.319 1.00 0.00 C ATOM 502 CG ARG A 32 -1.234 -9.764 -9.939 1.00 0.00 C ATOM 503 CD ARG A 32 -0.020 -10.656 -10.254 1.00 0.00 C ATOM 504 NE ARG A 32 -0.496 -11.915 -10.855 1.00 0.00 N ATOM 505 CZ ARG A 32 0.338 -12.915 -11.149 1.00 0.00 C ATOM 506 NH1 ARG A 32 1.644 -12.822 -10.910 1.00 0.00 N ATOM 507 NH2 ARG A 32 -0.148 -14.027 -11.692 1.00 0.00 N ATOM 0 H ARG A 32 -0.642 -6.110 -8.405 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.686 -7.384 -9.865 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.205 -7.861 -10.015 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.257 -8.576 -8.416 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.897 -10.292 -9.254 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.797 -9.589 -10.856 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.657 -10.144 -10.938 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.543 -10.862 -9.344 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.491 -12.025 -11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.027 -11.973 -10.494 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.262 -13.599 -11.143 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.147 -14.109 -11.879 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.479 -14.799 -11.921 1.00 0.00 H new ATOM 521 N GLU A 33 -2.523 -8.209 -6.674 1.00 0.00 N ATOM 522 CA GLU A 33 -3.202 -8.955 -5.596 1.00 0.00 C ATOM 523 C GLU A 33 -4.705 -8.648 -5.538 1.00 0.00 C ATOM 524 O GLU A 33 -5.569 -9.520 -5.642 1.00 0.00 O ATOM 525 CB GLU A 33 -2.580 -8.622 -4.223 1.00 0.00 C ATOM 526 CG GLU A 33 -1.045 -8.764 -4.124 1.00 0.00 C ATOM 527 CD GLU A 33 -0.581 -10.157 -4.572 1.00 0.00 C ATOM 528 OE1 GLU A 33 -0.419 -10.368 -5.774 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.396 -11.019 -3.714 1.00 0.00 O ATOM 0 H GLU A 33 -1.729 -7.647 -6.366 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.069 -10.013 -5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.848 -7.598 -3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.034 -9.270 -3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.567 -8.004 -4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.727 -8.586 -3.097 1.00 0.00 H new ATOM 536 N CYS A 34 -5.006 -7.356 -5.373 1.00 0.00 N ATOM 537 CA CYS A 34 -6.400 -6.876 -5.354 1.00 0.00 C ATOM 538 C CYS A 34 -7.103 -7.089 -6.705 1.00 0.00 C ATOM 539 O CYS A 34 -8.133 -7.749 -6.832 1.00 0.00 O ATOM 540 CB CYS A 34 -6.418 -5.371 -5.002 1.00 0.00 C ATOM 541 SG CYS A 34 -8.076 -4.676 -5.216 1.00 0.00 S ATOM 0 H CYS A 34 -4.308 -6.622 -5.251 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.940 -7.453 -4.603 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.091 -5.231 -3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.711 -4.837 -5.637 1.00 0.00 H new ATOM 546 N GLY A 35 -6.490 -6.502 -7.741 1.00 0.00 N ATOM 547 CA GLY A 35 -7.082 -6.448 -9.092 1.00 0.00 C ATOM 548 C GLY A 35 -7.337 -7.830 -9.700 1.00 0.00 C ATOM 549 O GLY A 35 -8.460 -8.217 -10.023 1.00 0.00 O ATOM 0 H GLY A 35 -5.577 -6.053 -7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.023 -5.900 -9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.418 -5.887 -9.749 1.00 0.00 H new ATOM 553 N LYS A 36 -6.239 -8.571 -9.875 1.00 0.00 N ATOM 554 CA LYS A 36 -6.289 -9.947 -10.407 1.00 0.00 C ATOM 555 C LYS A 36 -6.924 -10.896 -9.376 1.00 0.00 C ATOM 556 O LYS A 36 -6.287 -11.518 -8.524 1.00 0.00 O ATOM 557 CB LYS A 36 -4.859 -10.403 -10.804 1.00 0.00 C ATOM 558 CG LYS A 36 -4.806 -11.636 -11.741 1.00 0.00 C ATOM 559 CD LYS A 36 -5.233 -12.980 -11.104 1.00 0.00 C ATOM 560 CE LYS A 36 -4.305 -13.449 -9.962 1.00 0.00 C ATOM 561 NZ LYS A 36 -2.956 -13.703 -10.489 1.00 0.00 N ATOM 0 H LYS A 36 -5.298 -8.244 -9.657 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.914 -9.972 -11.300 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.350 -9.572 -11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.300 -10.630 -9.896 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.446 -11.443 -12.602 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.788 -11.740 -12.117 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.248 -12.883 -10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.258 -13.747 -11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.263 -12.690 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.704 -14.355 -9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.791 -14.729 -10.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.871 -13.290 -11.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.250 -13.271 -9.859 1.00 0.00 H new ATOM 666 N VAL B 5 -6.062 -5.782 9.903 1.00 0.00 N ATOM 667 CA VAL B 5 -5.829 -6.031 8.467 1.00 0.00 C ATOM 668 C VAL B 5 -4.818 -5.036 7.880 1.00 0.00 C ATOM 669 O VAL B 5 -3.957 -5.370 7.065 1.00 0.00 O ATOM 670 CB VAL B 5 -7.167 -5.971 7.687 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.954 -6.152 6.167 1.00 0.00 C ATOM 672 CG2 VAL B 5 -8.157 -7.038 8.198 1.00 0.00 C ATOM 0 HA VAL B 5 -5.406 -7.030 8.365 1.00 0.00 H new ATOM 0 HB VAL B 5 -7.587 -4.980 7.861 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.916 -6.104 5.657 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -6.305 -5.360 5.794 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.491 -7.120 5.977 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -9.087 -6.972 7.633 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.723 -8.029 8.068 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -8.362 -6.867 9.255 1.00 0.00 H new ATOM 682 N LYS B 6 -4.941 -3.774 8.307 1.00 0.00 N ATOM 683 CA LYS B 6 -3.998 -2.729 7.867 1.00 0.00 C ATOM 684 C LYS B 6 -2.551 -3.070 8.255 1.00 0.00 C ATOM 685 O LYS B 6 -1.607 -2.894 7.489 1.00 0.00 O ATOM 686 CB LYS B 6 -4.363 -1.346 8.441 1.00 0.00 C ATOM 687 CG LYS B 6 -3.632 -0.245 7.643 1.00 0.00 C ATOM 688 CD LYS B 6 -4.048 1.189 8.015 1.00 0.00 C ATOM 689 CE LYS B 6 -3.389 2.225 7.081 1.00 0.00 C ATOM 690 NZ LYS B 6 -1.926 2.165 7.217 1.00 0.00 N ATOM 0 H LYS B 6 -5.669 -3.451 8.945 1.00 0.00 H new ATOM 0 HA LYS B 6 -4.075 -2.690 6.780 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -5.441 -1.192 8.389 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -4.084 -1.293 9.493 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -2.559 -0.351 7.799 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -3.816 -0.400 6.580 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -5.132 1.282 7.957 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -3.765 1.395 9.047 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -3.675 2.029 6.048 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -3.745 3.226 7.326 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -1.495 2.942 6.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -1.667 2.255 8.220 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -1.580 1.255 6.850 1.00 0.00 H new ATOM 704 N LEU B 7 -2.385 -3.558 9.488 1.00 0.00 N ATOM 705 CA LEU B 7 -1.060 -3.974 9.990 1.00 0.00 C ATOM 706 C LEU B 7 -0.424 -5.069 9.121 1.00 0.00 C ATOM 707 O LEU B 7 0.788 -5.135 8.915 1.00 0.00 O ATOM 708 CB LEU B 7 -1.166 -4.476 11.447 1.00 0.00 C ATOM 709 CG LEU B 7 -1.722 -3.425 12.438 1.00 0.00 C ATOM 710 CD1 LEU B 7 -1.835 -4.011 13.861 1.00 0.00 C ATOM 711 CD2 LEU B 7 -0.893 -2.124 12.443 1.00 0.00 C ATOM 0 H LEU B 7 -3.144 -3.677 10.159 1.00 0.00 H new ATOM 0 HA LEU B 7 -0.418 -3.094 9.946 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.807 -5.357 11.471 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -0.179 -4.791 11.784 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.722 -3.163 12.092 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -2.228 -3.252 14.537 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -2.507 -4.869 13.849 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.850 -4.327 14.204 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.325 -1.420 13.155 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.134 -2.348 12.732 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.902 -1.683 11.446 1.00 0.00 H new ATOM 723 N THR B 8 -1.281 -5.964 8.619 1.00 0.00 N ATOM 724 CA THR B 8 -0.838 -7.061 7.734 1.00 0.00 C ATOM 725 C THR B 8 -0.161 -6.520 6.463 1.00 0.00 C ATOM 726 O THR B 8 0.931 -6.921 6.061 1.00 0.00 O ATOM 727 CB THR B 8 -2.047 -7.947 7.346 1.00 0.00 C ATOM 728 OG1 THR B 8 -2.733 -8.366 8.532 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.630 -9.202 6.549 1.00 0.00 C ATOM 0 H THR B 8 -2.284 -5.956 8.806 1.00 0.00 H new ATOM 0 HA THR B 8 -0.106 -7.657 8.280 1.00 0.00 H new ATOM 0 HB THR B 8 -2.695 -7.344 6.710 1.00 0.00 H new ATOM 0 HG1 THR B 8 -3.499 -8.925 8.286 1.00 0.00 H new ATOM 0 HG21 THR B 8 -2.516 -9.788 6.303 1.00 0.00 H new ATOM 0 HG22 THR B 8 -1.128 -8.899 5.630 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.951 -9.806 7.151 1.00 0.00 H new ATOM 737 N ILE B 9 -0.859 -5.581 5.816 1.00 0.00 N ATOM 738 CA ILE B 9 -0.369 -4.957 4.571 1.00 0.00 C ATOM 739 C ILE B 9 0.782 -3.954 4.800 1.00 0.00 C ATOM 740 O ILE B 9 1.666 -3.777 3.964 1.00 0.00 O ATOM 741 CB ILE B 9 -1.549 -4.317 3.787 1.00 0.00 C ATOM 742 CG1 ILE B 9 -1.129 -3.732 2.421 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.321 -3.262 4.607 1.00 0.00 C ATOM 744 CD1 ILE B 9 -0.494 -4.776 1.483 1.00 0.00 C ATOM 0 H ILE B 9 -1.765 -5.233 6.129 1.00 0.00 H new ATOM 0 HA ILE B 9 0.062 -5.753 3.964 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.227 -5.148 3.594 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.003 -3.300 1.934 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -0.420 -2.920 2.583 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.131 -2.854 4.003 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.734 -3.728 5.502 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.643 -2.459 4.896 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -0.222 -4.301 0.541 1.00 0.00 H new ATOM 0 HD12 ILE B 9 0.398 -5.191 1.951 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -1.209 -5.576 1.292 1.00 0.00 H new ATOM 756 N CYS B 10 0.769 -3.308 5.973 1.00 0.00 N ATOM 757 CA CYS B 10 1.739 -2.247 6.336 1.00 0.00 C ATOM 758 C CYS B 10 3.203 -2.516 5.933 1.00 0.00 C ATOM 759 O CYS B 10 3.810 -1.668 5.284 1.00 0.00 O ATOM 760 CB CYS B 10 1.668 -1.946 7.852 1.00 0.00 C ATOM 761 SG CYS B 10 0.308 -0.835 8.300 1.00 0.00 S ATOM 0 H CYS B 10 0.086 -3.502 6.705 1.00 0.00 H new ATOM 0 HA CYS B 10 1.429 -1.383 5.748 1.00 0.00 H new ATOM 0 HB2 CYS B 10 1.556 -2.884 8.397 1.00 0.00 H new ATOM 0 HB3 CYS B 10 2.611 -1.502 8.172 1.00 0.00 H new ATOM 766 N PRO B 11 3.816 -3.659 6.286 1.00 0.00 N ATOM 767 CA PRO B 11 5.216 -3.976 5.932 1.00 0.00 C ATOM 768 C PRO B 11 5.496 -3.884 4.424 1.00 0.00 C ATOM 769 O PRO B 11 6.507 -3.354 3.964 1.00 0.00 O ATOM 770 CB PRO B 11 5.430 -5.409 6.459 1.00 0.00 C ATOM 771 CG PRO B 11 4.021 -5.973 6.577 1.00 0.00 C ATOM 772 CD PRO B 11 3.212 -4.761 7.052 1.00 0.00 C ATOM 0 HA PRO B 11 5.905 -3.255 6.372 1.00 0.00 H new ATOM 0 HB2 PRO B 11 6.040 -5.999 5.775 1.00 0.00 H new ATOM 0 HB3 PRO B 11 5.941 -5.408 7.422 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.656 -6.355 5.623 1.00 0.00 H new ATOM 0 HG3 PRO B 11 3.973 -6.797 7.289 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.149 -4.872 6.836 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.304 -4.607 8.127 1.00 0.00 H new ATOM 780 N THR B 12 4.560 -4.432 3.646 1.00 0.00 N ATOM 781 CA THR B 12 4.621 -4.343 2.172 1.00 0.00 C ATOM 782 C THR B 12 4.638 -2.874 1.716 1.00 0.00 C ATOM 783 O THR B 12 5.429 -2.437 0.879 1.00 0.00 O ATOM 784 CB THR B 12 3.400 -5.066 1.550 1.00 0.00 C ATOM 785 OG1 THR B 12 3.293 -6.385 2.094 1.00 0.00 O ATOM 786 CG2 THR B 12 3.511 -5.182 0.015 1.00 0.00 C ATOM 0 H THR B 12 3.752 -4.941 4.003 1.00 0.00 H new ATOM 0 HA THR B 12 5.540 -4.824 1.836 1.00 0.00 H new ATOM 0 HB THR B 12 2.519 -4.471 1.789 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.519 -6.839 1.700 1.00 0.00 H new ATOM 0 HG21 THR B 12 2.633 -5.696 -0.376 1.00 0.00 H new ATOM 0 HG22 THR B 12 3.573 -4.185 -0.422 1.00 0.00 H new ATOM 0 HG23 THR B 12 4.407 -5.747 -0.243 1.00 0.00 H new ATOM 794 N LEU B 13 3.725 -2.100 2.312 1.00 0.00 N ATOM 795 CA LEU B 13 3.582 -0.661 2.011 1.00 0.00 C ATOM 796 C LEU B 13 4.854 0.151 2.297 1.00 0.00 C ATOM 797 O LEU B 13 5.095 1.197 1.700 1.00 0.00 O ATOM 798 CB LEU B 13 2.406 -0.053 2.809 1.00 0.00 C ATOM 799 CG LEU B 13 1.051 -0.740 2.534 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.070 -0.123 3.399 1.00 0.00 C ATOM 801 CD2 LEU B 13 0.672 -0.711 1.037 1.00 0.00 C ATOM 0 H LEU B 13 3.067 -2.444 3.011 1.00 0.00 H new ATOM 0 HA LEU B 13 3.388 -0.599 0.940 1.00 0.00 H new ATOM 0 HB2 LEU B 13 2.628 -0.120 3.874 1.00 0.00 H new ATOM 0 HB3 LEU B 13 2.323 1.006 2.566 1.00 0.00 H new ATOM 0 HG LEU B 13 1.164 -1.787 2.814 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.013 -0.626 3.185 1.00 0.00 H new ATOM 0 HD12 LEU B 13 0.175 -0.246 4.454 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.164 0.938 3.169 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.289 -1.206 0.895 1.00 0.00 H new ATOM 0 HD22 LEU B 13 0.600 0.323 0.700 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.436 -1.229 0.458 1.00 0.00 H new ATOM 813 N LYS B 14 5.659 -0.320 3.255 1.00 0.00 N ATOM 814 CA LYS B 14 6.948 0.334 3.566 1.00 0.00 C ATOM 815 C LYS B 14 7.853 0.358 2.327 1.00 0.00 C ATOM 816 O LYS B 14 8.370 1.382 1.881 1.00 0.00 O ATOM 817 CB LYS B 14 7.695 -0.417 4.699 1.00 0.00 C ATOM 818 CG LYS B 14 6.864 -0.684 5.971 1.00 0.00 C ATOM 819 CD LYS B 14 6.279 0.585 6.622 1.00 0.00 C ATOM 820 CE LYS B 14 5.462 0.254 7.888 1.00 0.00 C ATOM 821 NZ LYS B 14 4.941 1.493 8.485 1.00 0.00 N ATOM 0 H LYS B 14 5.451 -1.140 3.825 1.00 0.00 H new ATOM 0 HA LYS B 14 6.725 1.352 3.887 1.00 0.00 H new ATOM 0 HB2 LYS B 14 8.048 -1.371 4.309 1.00 0.00 H new ATOM 0 HB3 LYS B 14 8.577 0.161 4.975 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.047 -1.361 5.722 1.00 0.00 H new ATOM 0 HG3 LYS B 14 7.491 -1.197 6.700 1.00 0.00 H new ATOM 0 HD2 LYS B 14 7.089 1.268 6.880 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.643 1.102 5.904 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.638 -0.413 7.635 1.00 0.00 H new ATOM 0 HE3 LYS B 14 6.088 -0.272 8.609 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 4.494 1.277 9.399 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.723 2.163 8.632 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.238 1.917 7.847 1.00 0.00 H new ATOM 835 N SER B 15 8.025 -0.838 1.760 1.00 0.00 N ATOM 836 CA SER B 15 8.864 -1.044 0.564 1.00 0.00 C ATOM 837 C SER B 15 8.390 -0.199 -0.629 1.00 0.00 C ATOM 838 O SER B 15 9.163 0.413 -1.366 1.00 0.00 O ATOM 839 CB SER B 15 8.849 -2.540 0.187 1.00 0.00 C ATOM 840 OG SER B 15 9.290 -3.327 1.297 1.00 0.00 O ATOM 0 H SER B 15 7.591 -1.692 2.111 1.00 0.00 H new ATOM 0 HA SER B 15 9.878 -0.724 0.804 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.843 -2.840 -0.106 1.00 0.00 H new ATOM 0 HB3 SER B 15 9.496 -2.714 -0.673 1.00 0.00 H new ATOM 0 HG SER B 15 9.276 -4.276 1.051 1.00 0.00 H new ATOM 846 N MET B 16 7.067 -0.188 -0.821 1.00 0.00 N ATOM 847 CA MET B 16 6.435 0.628 -1.877 1.00 0.00 C ATOM 848 C MET B 16 6.720 2.126 -1.679 1.00 0.00 C ATOM 849 O MET B 16 7.110 2.861 -2.587 1.00 0.00 O ATOM 850 CB MET B 16 4.907 0.385 -1.864 1.00 0.00 C ATOM 851 CG MET B 16 4.183 1.082 -3.037 1.00 0.00 C ATOM 852 SD MET B 16 2.393 0.802 -3.031 1.00 0.00 S ATOM 853 CE MET B 16 1.925 1.654 -1.502 1.00 0.00 C ATOM 0 H MET B 16 6.409 -0.732 -0.263 1.00 0.00 H new ATOM 0 HA MET B 16 6.856 0.330 -2.837 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.713 -0.687 -1.908 1.00 0.00 H new ATOM 0 HB3 MET B 16 4.494 0.745 -0.922 1.00 0.00 H new ATOM 0 HG2 MET B 16 4.378 2.154 -2.992 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.598 0.722 -3.978 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.841 1.759 -1.461 1.00 0.00 H new ATOM 0 HE2 MET B 16 2.266 1.075 -0.644 1.00 0.00 H new ATOM 0 HE3 MET B 16 2.386 2.641 -1.480 1.00 0.00 H new ATOM 863 N ALA B 17 6.530 2.553 -0.426 1.00 0.00 N ATOM 864 CA ALA B 17 6.641 3.969 -0.013 1.00 0.00 C ATOM 865 C ALA B 17 7.955 4.635 -0.440 1.00 0.00 C ATOM 866 O ALA B 17 8.029 5.836 -0.706 1.00 0.00 O ATOM 867 CB ALA B 17 6.500 4.072 1.518 1.00 0.00 C ATOM 0 H ALA B 17 6.292 1.925 0.342 1.00 0.00 H new ATOM 0 HA ALA B 17 5.837 4.501 -0.521 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.582 5.116 1.822 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.529 3.681 1.821 1.00 0.00 H new ATOM 0 HB3 ALA B 17 7.290 3.492 1.996 1.00 0.00 H new ATOM 873 N LYS B 18 9.014 3.817 -0.482 1.00 0.00 N ATOM 874 CA LYS B 18 10.355 4.270 -0.899 1.00 0.00 C ATOM 875 C LYS B 18 10.311 5.128 -2.175 1.00 0.00 C ATOM 876 O LYS B 18 10.825 6.246 -2.243 1.00 0.00 O ATOM 877 CB LYS B 18 11.256 3.038 -1.156 1.00 0.00 C ATOM 878 CG LYS B 18 11.414 2.094 0.060 1.00 0.00 C ATOM 879 CD LYS B 18 12.058 2.771 1.290 1.00 0.00 C ATOM 880 CE LYS B 18 12.310 1.782 2.448 1.00 0.00 C ATOM 881 NZ LYS B 18 11.043 1.190 2.900 1.00 0.00 N ATOM 0 H LYS B 18 8.971 2.829 -0.231 1.00 0.00 H new ATOM 0 HA LYS B 18 10.756 4.886 -0.094 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.844 2.470 -1.990 1.00 0.00 H new ATOM 0 HB3 LYS B 18 12.243 3.383 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS B 18 10.434 1.709 0.340 1.00 0.00 H new ATOM 0 HG3 LYS B 18 12.022 1.237 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS B 18 13.003 3.228 0.995 1.00 0.00 H new ATOM 0 HD3 LYS B 18 11.410 3.575 1.638 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.990 0.995 2.122 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.794 2.298 3.277 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 10.963 1.287 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 10.248 1.681 2.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 11.020 0.182 2.644 1.00 0.00 H new ATOM 895 N LYS B 19 9.665 4.574 -3.205 1.00 0.00 N ATOM 896 CA LYS B 19 9.510 5.272 -4.497 1.00 0.00 C ATOM 897 C LYS B 19 8.045 5.695 -4.728 1.00 0.00 C ATOM 898 O LYS B 19 7.363 5.303 -5.675 1.00 0.00 O ATOM 899 CB LYS B 19 10.019 4.339 -5.620 1.00 0.00 C ATOM 900 CG LYS B 19 10.114 5.031 -7.001 1.00 0.00 C ATOM 901 CD LYS B 19 10.503 4.093 -8.171 1.00 0.00 C ATOM 902 CE LYS B 19 11.952 3.555 -8.133 1.00 0.00 C ATOM 903 NZ LYS B 19 12.126 2.578 -7.046 1.00 0.00 N ATOM 0 H LYS B 19 9.240 3.647 -3.176 1.00 0.00 H new ATOM 0 HA LYS B 19 10.100 6.189 -4.496 1.00 0.00 H new ATOM 0 HB2 LYS B 19 11.002 3.956 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.353 3.480 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.153 5.492 -7.228 1.00 0.00 H new ATOM 0 HG3 LYS B 19 10.847 5.835 -6.939 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.818 3.245 -8.178 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.356 4.629 -9.109 1.00 0.00 H new ATOM 0 HE2 LYS B 19 12.195 3.089 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS B 19 12.647 4.383 -7.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.738 1.803 -7.371 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 12.564 3.045 -6.226 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.199 2.195 -6.772 1.00 0.00 H new ATOM 917 N CYS B 20 7.557 6.526 -3.799 1.00 0.00 N ATOM 918 CA CYS B 20 6.201 7.109 -3.898 1.00 0.00 C ATOM 919 C CYS B 20 6.229 8.646 -3.969 1.00 0.00 C ATOM 920 O CYS B 20 7.265 9.301 -4.106 1.00 0.00 O ATOM 921 CB CYS B 20 5.314 6.622 -2.726 1.00 0.00 C ATOM 922 SG CYS B 20 4.975 4.843 -2.782 1.00 0.00 S ATOM 0 H CYS B 20 8.075 6.813 -2.969 1.00 0.00 H new ATOM 0 HA CYS B 20 5.765 6.760 -4.834 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.804 6.863 -1.783 1.00 0.00 H new ATOM 0 HB3 CYS B 20 4.370 7.166 -2.742 1.00 0.00 H new ATOM 927 N GLU B 21 5.024 9.223 -3.894 1.00 0.00 N ATOM 928 CA GLU B 21 4.806 10.678 -4.028 1.00 0.00 C ATOM 929 C GLU B 21 5.531 11.508 -2.952 1.00 0.00 C ATOM 930 O GLU B 21 6.188 11.019 -2.033 1.00 0.00 O ATOM 931 CB GLU B 21 3.285 10.965 -3.934 1.00 0.00 C ATOM 932 CG GLU B 21 2.413 10.470 -5.116 1.00 0.00 C ATOM 933 CD GLU B 21 2.429 8.941 -5.239 1.00 0.00 C ATOM 934 OE1 GLU B 21 1.647 8.284 -4.551 1.00 0.00 O ATOM 935 OE2 GLU B 21 3.231 8.422 -6.011 1.00 0.00 O ATOM 0 H GLU B 21 4.165 8.696 -3.738 1.00 0.00 H new ATOM 0 HA GLU B 21 5.218 10.974 -4.993 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.908 10.510 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.147 12.042 -3.835 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.387 10.812 -4.978 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.775 10.912 -6.044 1.00 0.00 H new ATOM 942 N GLY B 22 5.363 12.829 -3.090 1.00 0.00 N ATOM 943 CA GLY B 22 6.006 13.821 -2.205 1.00 0.00 C ATOM 944 C GLY B 22 5.758 13.557 -0.716 1.00 0.00 C ATOM 945 O GLY B 22 6.669 13.508 0.110 1.00 0.00 O ATOM 0 H GLY B 22 4.779 13.245 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY B 22 7.080 13.823 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY B 22 5.637 14.815 -2.457 1.00 0.00 H new ATOM 949 N SER B 23 4.477 13.380 -0.375 1.00 0.00 N ATOM 950 CA SER B 23 4.091 13.101 1.022 1.00 0.00 C ATOM 951 C SER B 23 2.750 12.355 1.128 1.00 0.00 C ATOM 952 O SER B 23 1.895 12.606 1.980 1.00 0.00 O ATOM 953 CB SER B 23 4.043 14.432 1.816 1.00 0.00 C ATOM 954 OG SER B 23 3.095 15.326 1.225 1.00 0.00 O ATOM 0 H SER B 23 3.697 13.423 -1.031 1.00 0.00 H new ATOM 0 HA SER B 23 4.844 12.440 1.451 1.00 0.00 H new ATOM 0 HB2 SER B 23 3.771 14.236 2.853 1.00 0.00 H new ATOM 0 HB3 SER B 23 5.031 14.893 1.827 1.00 0.00 H new ATOM 0 HG SER B 23 3.072 16.162 1.735 1.00 0.00 H new ATOM 960 N ILE B 24 2.575 11.396 0.217 1.00 0.00 N ATOM 961 CA ILE B 24 1.494 10.397 0.340 1.00 0.00 C ATOM 962 C ILE B 24 1.925 9.308 1.330 1.00 0.00 C ATOM 963 O ILE B 24 1.216 8.922 2.259 1.00 0.00 O ATOM 964 CB ILE B 24 1.161 9.791 -1.049 1.00 0.00 C ATOM 965 CG1 ILE B 24 0.602 10.856 -2.027 1.00 0.00 C ATOM 966 CG2 ILE B 24 0.212 8.574 -0.955 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.720 11.509 -1.562 1.00 0.00 C ATOM 0 H ILE B 24 3.160 11.284 -0.611 1.00 0.00 H new ATOM 0 HA ILE B 24 0.591 10.877 0.717 1.00 0.00 H new ATOM 0 HB ILE B 24 2.106 9.430 -1.454 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.351 11.636 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE B 24 0.443 10.392 -3.000 1.00 0.00 H new ATOM 0 HG21 ILE B 24 0.013 8.190 -1.955 1.00 0.00 H new ATOM 0 HG22 ILE B 24 0.679 7.794 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.725 8.879 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -1.044 12.242 -2.301 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -1.486 10.741 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.564 12.005 -0.604 1.00 0.00 H new ATOM 979 N ALA B 25 3.146 8.818 1.092 1.00 0.00 N ATOM 980 CA ALA B 25 3.817 7.844 1.975 1.00 0.00 C ATOM 981 C ALA B 25 3.803 8.259 3.455 1.00 0.00 C ATOM 982 O ALA B 25 3.778 7.442 4.374 1.00 0.00 O ATOM 983 CB ALA B 25 5.278 7.685 1.511 1.00 0.00 C ATOM 0 H ALA B 25 3.703 9.083 0.280 1.00 0.00 H new ATOM 0 HA ALA B 25 3.267 6.906 1.903 1.00 0.00 H new ATOM 0 HB1 ALA B 25 5.788 6.968 2.154 1.00 0.00 H new ATOM 0 HB2 ALA B 25 5.296 7.326 0.482 1.00 0.00 H new ATOM 0 HB3 ALA B 25 5.785 8.648 1.568 1.00 0.00 H new ATOM 989 N THR B 26 3.848 9.578 3.671 1.00 0.00 N ATOM 990 CA THR B 26 3.783 10.163 5.025 1.00 0.00 C ATOM 991 C THR B 26 2.566 9.646 5.811 1.00 0.00 C ATOM 992 O THR B 26 2.651 9.168 6.943 1.00 0.00 O ATOM 993 CB THR B 26 3.716 11.706 4.902 1.00 0.00 C ATOM 994 OG1 THR B 26 4.859 12.172 4.179 1.00 0.00 O ATOM 995 CG2 THR B 26 3.665 12.424 6.268 1.00 0.00 C ATOM 0 H THR B 26 3.930 10.268 2.924 1.00 0.00 H new ATOM 0 HA THR B 26 4.676 9.865 5.574 1.00 0.00 H new ATOM 0 HB THR B 26 2.790 11.941 4.377 1.00 0.00 H new ATOM 0 HG1 THR B 26 4.997 13.124 4.364 1.00 0.00 H new ATOM 0 HG21 THR B 26 3.619 13.502 6.111 1.00 0.00 H new ATOM 0 HG22 THR B 26 2.781 12.099 6.817 1.00 0.00 H new ATOM 0 HG23 THR B 26 4.559 12.179 6.842 1.00 0.00 H new ATOM 1003 N MET B 27 1.400 9.759 5.168 1.00 0.00 N ATOM 1004 CA MET B 27 0.132 9.272 5.744 1.00 0.00 C ATOM 1005 C MET B 27 0.145 7.757 5.999 1.00 0.00 C ATOM 1006 O MET B 27 -0.327 7.257 7.018 1.00 0.00 O ATOM 1007 CB MET B 27 -1.056 9.632 4.822 1.00 0.00 C ATOM 1008 CG MET B 27 -1.390 11.140 4.806 1.00 0.00 C ATOM 1009 SD MET B 27 -0.033 12.170 4.197 1.00 0.00 S ATOM 1010 CE MET B 27 -0.794 13.807 4.337 1.00 0.00 C ATOM 0 H MET B 27 1.303 10.184 4.246 1.00 0.00 H new ATOM 0 HA MET B 27 0.015 9.769 6.707 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.828 9.308 3.807 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.937 9.076 5.144 1.00 0.00 H new ATOM 0 HG2 MET B 27 -2.269 11.303 4.182 1.00 0.00 H new ATOM 0 HG3 MET B 27 -1.652 11.457 5.815 1.00 0.00 H new ATOM 0 HE1 MET B 27 -0.088 14.566 4.000 1.00 0.00 H new ATOM 0 HE2 MET B 27 -1.691 13.845 3.719 1.00 0.00 H new ATOM 0 HE3 MET B 27 -1.061 13.996 5.377 1.00 0.00 H new ATOM 1020 N ILE B 28 0.695 7.019 5.028 1.00 0.00 N ATOM 1021 CA ILE B 28 0.787 5.546 5.123 1.00 0.00 C ATOM 1022 C ILE B 28 1.492 5.118 6.420 1.00 0.00 C ATOM 1023 O ILE B 28 1.041 4.267 7.183 1.00 0.00 O ATOM 1024 CB ILE B 28 1.572 4.976 3.910 1.00 0.00 C ATOM 1025 CG1 ILE B 28 1.067 5.517 2.554 1.00 0.00 C ATOM 1026 CG2 ILE B 28 1.584 3.430 3.914 1.00 0.00 C ATOM 1027 CD1 ILE B 28 -0.437 5.290 2.308 1.00 0.00 C ATOM 0 H ILE B 28 1.083 7.409 4.169 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.229 5.151 5.125 1.00 0.00 H new ATOM 0 HB ILE B 28 2.597 5.328 4.027 1.00 0.00 H new ATOM 0 HG12 ILE B 28 1.276 6.585 2.501 1.00 0.00 H new ATOM 0 HG13 ILE B 28 1.631 5.041 1.752 1.00 0.00 H new ATOM 0 HG21 ILE B 28 2.142 3.068 3.051 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.058 3.072 4.828 1.00 0.00 H new ATOM 0 HG23 ILE B 28 0.561 3.058 3.866 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -0.712 5.698 1.335 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -0.652 4.222 2.327 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -1.013 5.790 3.087 1.00 0.00 H new ATOM 1039 N LYS B 29 2.641 5.758 6.649 1.00 0.00 N ATOM 1040 CA LYS B 29 3.472 5.507 7.838 1.00 0.00 C ATOM 1041 C LYS B 29 2.738 5.854 9.139 1.00 0.00 C ATOM 1042 O LYS B 29 2.775 5.132 10.134 1.00 0.00 O ATOM 1043 CB LYS B 29 4.762 6.351 7.724 1.00 0.00 C ATOM 1044 CG LYS B 29 5.786 6.085 8.849 1.00 0.00 C ATOM 1045 CD LYS B 29 6.231 4.610 9.003 1.00 0.00 C ATOM 1046 CE LYS B 29 6.925 4.001 7.762 1.00 0.00 C ATOM 1047 NZ LYS B 29 5.954 3.755 6.685 1.00 0.00 N ATOM 0 H LYS B 29 3.024 6.464 6.020 1.00 0.00 H new ATOM 0 HA LYS B 29 3.707 4.443 7.875 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.233 6.148 6.762 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.495 7.408 7.732 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.669 6.697 8.666 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.358 6.419 9.794 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.911 4.539 9.852 1.00 0.00 H new ATOM 0 HD3 LYS B 29 5.356 4.006 9.244 1.00 0.00 H new ATOM 0 HE2 LYS B 29 7.704 4.677 7.408 1.00 0.00 H new ATOM 0 HE3 LYS B 29 7.414 3.066 8.036 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 6.291 2.976 6.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 5.034 3.501 7.098 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 5.849 4.615 6.109 1.00 0.00 H new ATOM 1061 N LYS B 30 2.065 7.011 9.112 1.00 0.00 N ATOM 1062 CA LYS B 30 1.317 7.525 10.278 1.00 0.00 C ATOM 1063 C LYS B 30 0.313 6.499 10.821 1.00 0.00 C ATOM 1064 O LYS B 30 0.264 6.166 12.006 1.00 0.00 O ATOM 1065 CB LYS B 30 0.575 8.817 9.857 1.00 0.00 C ATOM 1066 CG LYS B 30 -0.237 9.478 10.996 1.00 0.00 C ATOM 1067 CD LYS B 30 0.620 9.922 12.202 1.00 0.00 C ATOM 1068 CE LYS B 30 1.674 10.990 11.832 1.00 0.00 C ATOM 1069 NZ LYS B 30 2.419 11.378 13.036 1.00 0.00 N ATOM 0 H LYS B 30 2.020 7.616 8.292 1.00 0.00 H new ATOM 0 HA LYS B 30 2.027 7.731 11.079 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.303 9.535 9.480 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.099 8.584 9.033 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.762 10.346 10.597 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -0.996 8.777 11.341 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.034 10.318 12.979 1.00 0.00 H new ATOM 0 HD3 LYS B 30 1.124 9.052 12.623 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.357 10.597 11.079 1.00 0.00 H new ATOM 0 HE3 LYS B 30 1.187 11.862 11.396 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 3.129 12.097 12.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 1.761 11.769 13.740 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 2.896 10.543 13.433 1.00 0.00 H new ATOM 1083 N LYS B 31 -0.511 5.993 9.902 1.00 0.00 N ATOM 1084 CA LYS B 31 -1.533 4.981 10.232 1.00 0.00 C ATOM 1085 C LYS B 31 -0.896 3.660 10.688 1.00 0.00 C ATOM 1086 O LYS B 31 -1.245 3.066 11.708 1.00 0.00 O ATOM 1087 CB LYS B 31 -2.424 4.741 8.996 1.00 0.00 C ATOM 1088 CG LYS B 31 -3.124 6.015 8.479 1.00 0.00 C ATOM 1089 CD LYS B 31 -4.037 6.692 9.523 1.00 0.00 C ATOM 1090 CE LYS B 31 -4.664 7.999 8.996 1.00 0.00 C ATOM 1091 NZ LYS B 31 -3.604 8.968 8.678 1.00 0.00 N ATOM 0 H LYS B 31 -0.495 6.264 8.919 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.135 5.356 11.060 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -1.814 4.322 8.196 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.181 3.996 9.244 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -2.366 6.729 8.156 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -3.718 5.761 7.601 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -4.830 6.002 9.810 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -3.460 6.906 10.422 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -5.261 7.794 8.107 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -5.339 8.417 9.743 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -4.015 9.920 8.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -2.887 8.958 9.432 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -3.159 8.711 7.774 1.00 0.00 H new ATOM 1105 N CYS B 32 0.064 3.191 9.882 1.00 0.00 N ATOM 1106 CA CYS B 32 0.890 2.022 10.246 1.00 0.00 C ATOM 1107 C CYS B 32 1.737 2.289 11.504 1.00 0.00 C ATOM 1108 O CYS B 32 1.744 3.365 12.103 1.00 0.00 O ATOM 1109 CB CYS B 32 1.813 1.666 9.058 1.00 0.00 C ATOM 1110 SG CYS B 32 0.917 0.976 7.643 1.00 0.00 S ATOM 0 H CYS B 32 0.291 3.598 8.975 1.00 0.00 H new ATOM 0 HA CYS B 32 0.224 1.189 10.470 1.00 0.00 H new ATOM 0 HB2 CYS B 32 2.348 2.561 8.740 1.00 0.00 H new ATOM 0 HB3 CYS B 32 2.563 0.948 9.391 1.00 0.00 H new