USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 608 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 THR OG1 : rot -57:sc= 0.997 USER MOD Set 1.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 37 HIS :FLIP no HD1:sc= -0.376 F(o=-1.1,f=-0.38) USER MOD Set 2.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0229 (180deg=-0.19) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0237) USER MOD Single : A 12 LYS NZ :NH3+ -128:sc= -1.59 (180deg=-2.91!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.844 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 31 GLN : amide:sc= -0.0326 X(o=-0.033,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 80:sc= 0.87 USER MOD Single : A 46 TYR OH : rot 30:sc= -0.242 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= -0.0418 (180deg=-0.181) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0492 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0414 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.163 X(o=-0.16,f=0.0044) USER MOD Single : A 68 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.528) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.238 17.942 7.323 1.00 0.00 N ATOM 2 CA MET A 1 -11.032 17.140 7.656 1.00 0.00 C ATOM 3 C MET A 1 -11.118 15.740 7.055 1.00 0.00 C ATOM 4 O MET A 1 -10.098 15.124 6.744 1.00 0.00 O ATOM 5 CB MET A 1 -10.908 17.054 9.178 1.00 0.00 C ATOM 6 CG MET A 1 -9.478 16.876 9.663 1.00 0.00 C ATOM 7 SD MET A 1 -9.075 15.155 10.019 1.00 0.00 S ATOM 8 CE MET A 1 -7.302 15.264 10.245 1.00 0.00 C ATOM 0 H1 MET A 1 -12.063 18.942 7.548 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.449 17.847 6.309 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.047 17.599 7.878 1.00 0.00 H new ATOM 0 HA MET A 1 -10.152 17.625 7.234 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.322 17.960 9.620 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.511 16.220 9.537 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.792 17.257 8.907 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.326 17.474 10.561 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.903 14.276 10.473 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.841 15.640 9.332 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.081 15.943 11.069 1.00 0.00 H new ATOM 20 N THR A 2 -12.341 15.243 6.893 1.00 0.00 N ATOM 21 CA THR A 2 -12.562 13.916 6.329 1.00 0.00 C ATOM 22 C THR A 2 -11.788 12.855 7.106 1.00 0.00 C ATOM 23 O THR A 2 -11.066 13.167 8.052 1.00 0.00 O ATOM 24 CB THR A 2 -12.148 13.886 4.855 1.00 0.00 C ATOM 25 OG1 THR A 2 -10.746 13.740 4.731 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.550 15.129 4.091 1.00 0.00 C ATOM 0 H THR A 2 -13.195 15.741 7.145 1.00 0.00 H new ATOM 0 HA THR A 2 -13.626 13.693 6.405 1.00 0.00 H new ATOM 0 HB THR A 2 -12.674 13.033 4.427 1.00 0.00 H new ATOM 0 HG1 THR A 2 -10.298 14.465 5.214 1.00 0.00 H new ATOM 0 HG21 THR A 2 -12.225 15.040 3.054 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.634 15.242 4.124 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.081 16.002 4.544 1.00 0.00 H new ATOM 34 N ARG A 3 -11.944 11.600 6.698 1.00 0.00 N ATOM 35 CA ARG A 3 -11.260 10.491 7.353 1.00 0.00 C ATOM 36 C ARG A 3 -10.888 9.410 6.343 1.00 0.00 C ATOM 37 O ARG A 3 -11.684 9.066 5.466 1.00 0.00 O ATOM 38 CB ARG A 3 -12.141 9.899 8.457 1.00 0.00 C ATOM 39 CG ARG A 3 -11.714 10.307 9.857 1.00 0.00 C ATOM 40 CD ARG A 3 -12.601 9.672 10.917 1.00 0.00 C ATOM 41 NE ARG A 3 -11.836 9.236 12.083 1.00 0.00 N ATOM 42 CZ ARG A 3 -11.127 8.109 12.124 1.00 0.00 C ATOM 43 NH1 ARG A 3 -11.081 7.305 11.068 1.00 0.00 N ATOM 44 NH2 ARG A 3 -10.461 7.785 13.225 1.00 0.00 N ATOM 0 H ARG A 3 -12.539 11.325 5.916 1.00 0.00 H new ATOM 0 HA ARG A 3 -10.343 10.875 7.800 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -13.172 10.212 8.295 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -12.122 8.812 8.382 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.678 10.012 10.023 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.755 11.392 9.949 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.361 10.388 11.229 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.125 8.818 10.487 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.845 9.829 12.913 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -11.591 7.549 10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.536 6.444 11.106 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.492 8.399 14.039 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.918 6.922 13.257 1.00 0.00 H new ATOM 58 N TRP A 4 -9.677 8.878 6.470 1.00 0.00 N ATOM 59 CA TRP A 4 -9.202 7.835 5.567 1.00 0.00 C ATOM 60 C TRP A 4 -10.025 6.560 5.730 1.00 0.00 C ATOM 61 O TRP A 4 -10.036 5.948 6.798 1.00 0.00 O ATOM 62 CB TRP A 4 -7.721 7.544 5.827 1.00 0.00 C ATOM 63 CG TRP A 4 -6.832 7.922 4.681 1.00 0.00 C ATOM 64 CD1 TRP A 4 -7.043 8.914 3.773 1.00 0.00 C ATOM 65 CD2 TRP A 4 -5.590 7.310 4.323 1.00 0.00 C ATOM 66 NE1 TRP A 4 -6.008 8.959 2.870 1.00 0.00 N ATOM 67 CE2 TRP A 4 -5.103 7.981 3.186 1.00 0.00 C ATOM 68 CE3 TRP A 4 -4.849 6.260 4.854 1.00 0.00 C ATOM 69 CZ2 TRP A 4 -3.901 7.632 2.575 1.00 0.00 C ATOM 70 CZ3 TRP A 4 -3.656 5.911 4.250 1.00 0.00 C ATOM 71 CH2 TRP A 4 -3.192 6.595 3.119 1.00 0.00 C ATOM 0 H TRP A 4 -9.007 9.151 7.189 1.00 0.00 H new ATOM 0 HA TRP A 4 -9.319 8.190 4.543 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -7.403 8.085 6.718 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.598 6.482 6.038 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -7.900 9.571 3.764 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.927 9.614 2.092 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.200 5.726 5.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.542 8.160 1.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.072 5.098 4.656 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.257 6.298 2.667 1.00 0.00 H new ATOM 82 N VAL A 5 -10.714 6.166 4.662 1.00 0.00 N ATOM 83 CA VAL A 5 -11.542 4.965 4.687 1.00 0.00 C ATOM 84 C VAL A 5 -10.721 3.731 5.048 1.00 0.00 C ATOM 85 O VAL A 5 -9.525 3.664 4.764 1.00 0.00 O ATOM 86 CB VAL A 5 -12.229 4.722 3.329 1.00 0.00 C ATOM 87 CG1 VAL A 5 -13.440 5.628 3.171 1.00 0.00 C ATOM 88 CG2 VAL A 5 -11.246 4.928 2.185 1.00 0.00 C ATOM 0 H VAL A 5 -10.715 6.661 3.770 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.303 5.130 5.450 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.572 3.688 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.911 5.441 2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -14.154 5.423 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.124 6.670 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.751 4.752 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.867 5.950 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.415 4.230 2.289 1.00 0.00 H new ATOM 98 N PRO A 6 -11.357 2.733 5.685 1.00 0.00 N ATOM 99 CA PRO A 6 -10.693 1.499 6.091 1.00 0.00 C ATOM 100 C PRO A 6 -10.711 0.434 4.995 1.00 0.00 C ATOM 101 O PRO A 6 -10.802 -0.759 5.283 1.00 0.00 O ATOM 102 CB PRO A 6 -11.538 1.054 7.279 1.00 0.00 C ATOM 103 CG PRO A 6 -12.921 1.504 6.941 1.00 0.00 C ATOM 104 CD PRO A 6 -12.782 2.732 6.071 1.00 0.00 C ATOM 0 HA PRO A 6 -9.636 1.647 6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.494 -0.027 7.415 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.189 1.507 8.207 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.465 0.719 6.417 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.485 1.733 7.845 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.433 2.679 5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.050 3.639 6.614 1.00 0.00 H new ATOM 112 N THR A 7 -10.623 0.874 3.740 1.00 0.00 N ATOM 113 CA THR A 7 -10.628 -0.035 2.592 1.00 0.00 C ATOM 114 C THR A 7 -11.677 -1.135 2.753 1.00 0.00 C ATOM 115 O THR A 7 -11.408 -2.184 3.337 1.00 0.00 O ATOM 116 CB THR A 7 -9.243 -0.658 2.393 1.00 0.00 C ATOM 117 OG1 THR A 7 -9.303 -1.721 1.458 1.00 0.00 O ATOM 118 CG2 THR A 7 -8.636 -1.204 3.667 1.00 0.00 C ATOM 0 H THR A 7 -10.547 1.860 3.491 1.00 0.00 H new ATOM 0 HA THR A 7 -10.885 0.552 1.710 1.00 0.00 H new ATOM 0 HB THR A 7 -8.613 0.155 2.033 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.409 -2.106 1.343 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.656 -1.629 3.450 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.529 -0.398 4.393 1.00 0.00 H new ATOM 0 HG23 THR A 7 -9.285 -1.978 4.077 1.00 0.00 H new ATOM 126 N LYS A 8 -12.873 -0.884 2.228 1.00 0.00 N ATOM 127 CA LYS A 8 -13.961 -1.851 2.309 1.00 0.00 C ATOM 128 C LYS A 8 -14.132 -2.588 0.987 1.00 0.00 C ATOM 129 O LYS A 8 -13.560 -2.198 -0.031 1.00 0.00 O ATOM 130 CB LYS A 8 -15.266 -1.147 2.686 1.00 0.00 C ATOM 131 CG LYS A 8 -15.426 -0.916 4.181 1.00 0.00 C ATOM 132 CD LYS A 8 -15.542 0.564 4.511 1.00 0.00 C ATOM 133 CE LYS A 8 -16.969 1.063 4.342 1.00 0.00 C ATOM 134 NZ LYS A 8 -17.154 1.795 3.059 1.00 0.00 N ATOM 0 H LYS A 8 -13.112 -0.019 1.742 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.712 -2.580 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.312 -0.187 2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -16.106 -1.742 2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.313 -1.439 4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.572 -1.341 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.214 0.736 5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.877 1.135 3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.656 0.217 4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.225 1.719 5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.109 2.205 3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.448 2.555 2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.034 1.136 2.263 1.00 0.00 H new ATOM 148 N ARG A 9 -14.921 -3.658 1.007 1.00 0.00 N ATOM 149 CA ARG A 9 -15.164 -4.450 -0.193 1.00 0.00 C ATOM 150 C ARG A 9 -13.862 -5.030 -0.735 1.00 0.00 C ATOM 151 O ARG A 9 -13.716 -5.235 -1.941 1.00 0.00 O ATOM 152 CB ARG A 9 -15.846 -3.593 -1.262 1.00 0.00 C ATOM 153 CG ARG A 9 -17.283 -4.003 -1.546 1.00 0.00 C ATOM 154 CD ARG A 9 -18.257 -2.871 -1.256 1.00 0.00 C ATOM 155 NE ARG A 9 -18.215 -1.837 -2.289 1.00 0.00 N ATOM 156 CZ ARG A 9 -19.175 -0.933 -2.471 1.00 0.00 C ATOM 157 NH1 ARG A 9 -20.250 -0.931 -1.692 1.00 0.00 N ATOM 158 NH2 ARG A 9 -19.059 -0.027 -3.433 1.00 0.00 N ATOM 0 H ARG A 9 -15.402 -3.996 1.840 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.822 -5.278 0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.831 -2.550 -0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.270 -3.653 -2.186 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.376 -4.305 -2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.541 -4.870 -0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -19.268 -3.272 -1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.021 -2.428 -0.289 1.00 0.00 H new ATOM 0 HE ARG A 9 -17.403 -1.807 -2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -20.343 -1.624 -0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -20.983 -0.236 -1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -18.234 -0.023 -4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -19.795 0.666 -3.573 1.00 0.00 H new ATOM 172 N GLU A 10 -12.915 -5.293 0.161 1.00 0.00 N ATOM 173 CA GLU A 10 -11.626 -5.849 -0.230 1.00 0.00 C ATOM 174 C GLU A 10 -11.575 -7.350 0.042 1.00 0.00 C ATOM 175 O GLU A 10 -12.517 -7.922 0.590 1.00 0.00 O ATOM 176 CB GLU A 10 -10.494 -5.144 0.520 1.00 0.00 C ATOM 177 CG GLU A 10 -9.256 -4.908 -0.327 1.00 0.00 C ATOM 178 CD GLU A 10 -7.971 -5.167 0.435 1.00 0.00 C ATOM 179 OE1 GLU A 10 -7.875 -4.736 1.603 1.00 0.00 O ATOM 180 OE2 GLU A 10 -7.059 -5.803 -0.136 1.00 0.00 O ATOM 0 H GLU A 10 -13.017 -5.130 1.163 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.499 -5.688 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.857 -4.186 0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.220 -5.740 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.291 -5.555 -1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.259 -3.880 -0.689 1.00 0.00 H new ATOM 187 N GLU A 11 -10.472 -7.979 -0.346 1.00 0.00 N ATOM 188 CA GLU A 11 -10.298 -9.413 -0.144 1.00 0.00 C ATOM 189 C GLU A 11 -9.355 -9.689 1.022 1.00 0.00 C ATOM 190 O GLU A 11 -9.751 -10.282 2.027 1.00 0.00 O ATOM 191 CB GLU A 11 -9.760 -10.067 -1.420 1.00 0.00 C ATOM 192 CG GLU A 11 -10.471 -11.360 -1.786 1.00 0.00 C ATOM 193 CD GLU A 11 -11.878 -11.127 -2.299 1.00 0.00 C ATOM 194 OE1 GLU A 11 -12.520 -10.155 -1.849 1.00 0.00 O ATOM 195 OE2 GLU A 11 -12.338 -11.916 -3.150 1.00 0.00 O ATOM 0 H GLU A 11 -9.684 -7.519 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.271 -9.842 0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.855 -9.363 -2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.696 -10.270 -1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.893 -11.885 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.510 -12.009 -0.911 1.00 0.00 H new ATOM 202 N LYS A 12 -8.107 -9.256 0.882 1.00 0.00 N ATOM 203 CA LYS A 12 -7.107 -9.457 1.924 1.00 0.00 C ATOM 204 C LYS A 12 -5.852 -8.638 1.637 1.00 0.00 C ATOM 205 O LYS A 12 -5.491 -7.747 2.407 1.00 0.00 O ATOM 206 CB LYS A 12 -6.749 -10.941 2.037 1.00 0.00 C ATOM 207 CG LYS A 12 -7.430 -11.643 3.202 1.00 0.00 C ATOM 208 CD LYS A 12 -7.932 -13.025 2.806 1.00 0.00 C ATOM 209 CE LYS A 12 -9.435 -13.029 2.585 1.00 0.00 C ATOM 210 NZ LYS A 12 -9.786 -12.855 1.150 1.00 0.00 N ATOM 0 H LYS A 12 -7.764 -8.764 0.057 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.530 -9.120 2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.023 -11.444 1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.669 -11.039 2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.730 -11.733 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.266 -11.038 3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.428 -13.349 1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.676 -13.743 3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.853 -13.967 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.890 -12.229 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.471 -12.078 1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.928 -12.631 0.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.206 -13.734 0.786 1.00 0.00 H new ATOM 224 N TYR A 13 -5.193 -8.945 0.525 1.00 0.00 N ATOM 225 CA TYR A 13 -3.980 -8.238 0.134 1.00 0.00 C ATOM 226 C TYR A 13 -3.712 -8.402 -1.358 1.00 0.00 C ATOM 227 O TYR A 13 -4.288 -9.274 -2.010 1.00 0.00 O ATOM 228 CB TYR A 13 -2.782 -8.752 0.939 1.00 0.00 C ATOM 229 CG TYR A 13 -2.725 -10.259 1.048 1.00 0.00 C ATOM 230 CD1 TYR A 13 -2.530 -11.050 -0.077 1.00 0.00 C ATOM 231 CD2 TYR A 13 -2.865 -10.890 2.277 1.00 0.00 C ATOM 232 CE1 TYR A 13 -2.476 -12.427 0.020 1.00 0.00 C ATOM 233 CE2 TYR A 13 -2.813 -12.266 2.384 1.00 0.00 C ATOM 234 CZ TYR A 13 -2.618 -13.031 1.251 1.00 0.00 C ATOM 235 OH TYR A 13 -2.565 -14.402 1.352 1.00 0.00 O ATOM 0 H TYR A 13 -5.479 -9.680 -0.122 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.123 -7.178 0.345 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.863 -8.395 0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.819 -8.325 1.941 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.419 -10.581 -1.043 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.017 -10.294 3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.323 -13.028 -0.865 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.924 -12.741 3.348 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.681 -14.666 2.289 1.00 0.00 H new ATOM 245 N GLY A 14 -2.838 -7.559 -1.895 1.00 0.00 N ATOM 246 CA GLY A 14 -2.512 -7.626 -3.306 1.00 0.00 C ATOM 247 C GLY A 14 -1.021 -7.534 -3.565 1.00 0.00 C ATOM 248 O GLY A 14 -0.224 -7.494 -2.629 1.00 0.00 O ATOM 0 H GLY A 14 -2.349 -6.829 -1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.892 -8.561 -3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.019 -6.816 -3.831 1.00 0.00 H new ATOM 252 N VAL A 15 -0.645 -7.502 -4.839 1.00 0.00 N ATOM 253 CA VAL A 15 0.758 -7.414 -5.220 1.00 0.00 C ATOM 254 C VAL A 15 1.117 -6.001 -5.669 1.00 0.00 C ATOM 255 O VAL A 15 0.271 -5.269 -6.180 1.00 0.00 O ATOM 256 CB VAL A 15 1.098 -8.402 -6.351 1.00 0.00 C ATOM 257 CG1 VAL A 15 2.599 -8.439 -6.597 1.00 0.00 C ATOM 258 CG2 VAL A 15 0.569 -9.790 -6.022 1.00 0.00 C ATOM 0 H VAL A 15 -1.294 -7.536 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 15 1.342 -7.672 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 15 0.613 -8.060 -7.266 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.819 -9.143 -7.400 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.946 -7.445 -6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.109 -8.755 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.818 -10.476 -6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.023 -10.142 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.514 -9.748 -5.902 1.00 0.00 H new ATOM 268 N ALA A 16 2.376 -5.624 -5.472 1.00 0.00 N ATOM 269 CA ALA A 16 2.844 -4.298 -5.855 1.00 0.00 C ATOM 270 C ALA A 16 4.053 -4.386 -6.778 1.00 0.00 C ATOM 271 O ALA A 16 5.129 -4.813 -6.365 1.00 0.00 O ATOM 272 CB ALA A 16 3.191 -3.484 -4.617 1.00 0.00 C ATOM 0 H ALA A 16 3.090 -6.218 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 16 2.039 -3.801 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.539 -2.496 -4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.306 -3.382 -3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.977 -3.991 -4.057 1.00 0.00 H new ATOM 278 N PHE A 17 3.873 -3.972 -8.030 1.00 0.00 N ATOM 279 CA PHE A 17 4.963 -4.002 -8.997 1.00 0.00 C ATOM 280 C PHE A 17 5.530 -2.605 -9.209 1.00 0.00 C ATOM 281 O PHE A 17 5.052 -1.852 -10.056 1.00 0.00 O ATOM 282 CB PHE A 17 4.477 -4.568 -10.334 1.00 0.00 C ATOM 283 CG PHE A 17 3.140 -4.035 -10.765 1.00 0.00 C ATOM 284 CD1 PHE A 17 1.969 -4.640 -10.341 1.00 0.00 C ATOM 285 CD2 PHE A 17 3.057 -2.928 -11.595 1.00 0.00 C ATOM 286 CE1 PHE A 17 0.737 -4.152 -10.736 1.00 0.00 C ATOM 287 CE2 PHE A 17 1.828 -2.435 -11.993 1.00 0.00 C ATOM 288 CZ PHE A 17 0.668 -3.048 -11.564 1.00 0.00 C ATOM 0 H PHE A 17 2.990 -3.615 -8.395 1.00 0.00 H new ATOM 0 HA PHE A 17 5.748 -4.646 -8.601 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.214 -4.341 -11.104 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.418 -5.654 -10.259 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.018 -5.503 -9.694 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.962 -2.446 -11.934 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.169 -4.633 -10.398 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.776 -1.571 -12.639 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.293 -2.665 -11.875 1.00 0.00 H new ATOM 298 N TYR A 18 6.556 -2.269 -8.437 1.00 0.00 N ATOM 299 CA TYR A 18 7.192 -0.964 -8.548 1.00 0.00 C ATOM 300 C TYR A 18 8.580 -0.975 -7.914 1.00 0.00 C ATOM 301 O TYR A 18 8.912 -1.868 -7.135 1.00 0.00 O ATOM 302 CB TYR A 18 6.323 0.111 -7.893 1.00 0.00 C ATOM 303 CG TYR A 18 6.665 1.510 -8.345 1.00 0.00 C ATOM 304 CD1 TYR A 18 6.095 2.050 -9.491 1.00 0.00 C ATOM 305 CD2 TYR A 18 7.565 2.287 -7.630 1.00 0.00 C ATOM 306 CE1 TYR A 18 6.418 3.328 -9.909 1.00 0.00 C ATOM 307 CE2 TYR A 18 7.892 3.564 -8.042 1.00 0.00 C ATOM 308 CZ TYR A 18 7.316 4.079 -9.182 1.00 0.00 C ATOM 309 OH TYR A 18 7.639 5.351 -9.596 1.00 0.00 O ATOM 0 H TYR A 18 6.964 -2.880 -7.730 1.00 0.00 H new ATOM 0 HA TYR A 18 7.302 -0.733 -9.608 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.276 -0.091 -8.118 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.434 0.049 -6.810 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.391 1.464 -10.063 1.00 0.00 H new ATOM 0 HD2 TYR A 18 8.018 1.886 -6.735 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.968 3.736 -10.802 1.00 0.00 H new ATOM 0 HE2 TYR A 18 8.595 4.155 -7.474 1.00 0.00 H new ATOM 0 HH TYR A 18 8.285 5.744 -8.972 1.00 0.00 H new ATOM 319 N ASN A 19 9.380 0.034 -8.244 1.00 0.00 N ATOM 320 CA ASN A 19 10.728 0.154 -7.698 1.00 0.00 C ATOM 321 C ASN A 19 10.809 1.350 -6.754 1.00 0.00 C ATOM 322 O ASN A 19 11.607 2.267 -6.958 1.00 0.00 O ATOM 323 CB ASN A 19 11.748 0.305 -8.829 1.00 0.00 C ATOM 324 CG ASN A 19 11.829 -0.932 -9.703 1.00 0.00 C ATOM 325 OD1 ASN A 19 12.013 -2.089 -9.078 1.00 0.00 O flip ATOM 326 ND2 ASN A 19 11.729 -0.848 -10.927 1.00 0.00 N flip ATOM 0 H ASN A 19 9.118 0.781 -8.887 1.00 0.00 H new ATOM 0 HA ASN A 19 10.959 -0.752 -7.138 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.480 1.164 -9.444 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.730 0.511 -8.404 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.588 0.062 -11.366 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.787 -1.688 -11.502 1.00 0.00 H new ATOM 333 N TYR A 20 9.965 1.339 -5.727 1.00 0.00 N ATOM 334 CA TYR A 20 9.923 2.425 -4.753 1.00 0.00 C ATOM 335 C TYR A 20 10.975 2.234 -3.665 1.00 0.00 C ATOM 336 O TYR A 20 11.112 1.148 -3.102 1.00 0.00 O ATOM 337 CB TYR A 20 8.530 2.513 -4.123 1.00 0.00 C ATOM 338 CG TYR A 20 8.211 3.867 -3.531 1.00 0.00 C ATOM 339 CD1 TYR A 20 8.974 4.390 -2.495 1.00 0.00 C ATOM 340 CD2 TYR A 20 7.143 4.619 -4.006 1.00 0.00 C ATOM 341 CE1 TYR A 20 8.683 5.625 -1.948 1.00 0.00 C ATOM 342 CE2 TYR A 20 6.847 5.856 -3.465 1.00 0.00 C ATOM 343 CZ TYR A 20 7.617 6.354 -2.436 1.00 0.00 C ATOM 344 OH TYR A 20 7.325 7.583 -1.894 1.00 0.00 O ATOM 0 H TYR A 20 9.299 0.588 -5.547 1.00 0.00 H new ATOM 0 HA TYR A 20 10.142 3.355 -5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.784 2.273 -4.880 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.446 1.757 -3.342 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.808 3.822 -2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.535 4.231 -4.810 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.286 6.018 -1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.016 6.430 -3.847 1.00 0.00 H new ATOM 0 HH TYR A 20 6.547 7.965 -2.351 1.00 0.00 H new ATOM 354 N ASP A 21 11.710 3.301 -3.370 1.00 0.00 N ATOM 355 CA ASP A 21 12.746 3.261 -2.345 1.00 0.00 C ATOM 356 C ASP A 21 12.475 4.303 -1.267 1.00 0.00 C ATOM 357 O ASP A 21 12.834 5.472 -1.412 1.00 0.00 O ATOM 358 CB ASP A 21 14.122 3.498 -2.969 1.00 0.00 C ATOM 359 CG ASP A 21 15.250 3.304 -1.975 1.00 0.00 C ATOM 360 OD1 ASP A 21 15.128 3.796 -0.834 1.00 0.00 O ATOM 361 OD2 ASP A 21 16.256 2.659 -2.338 1.00 0.00 O ATOM 0 H ASP A 21 11.607 4.207 -3.828 1.00 0.00 H new ATOM 0 HA ASP A 21 12.733 2.273 -1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.260 2.816 -3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.166 4.510 -3.371 1.00 0.00 H new ATOM 366 N ALA A 22 11.834 3.872 -0.186 1.00 0.00 N ATOM 367 CA ALA A 22 11.505 4.765 0.919 1.00 0.00 C ATOM 368 C ALA A 22 12.763 5.362 1.540 1.00 0.00 C ATOM 369 O ALA A 22 13.798 4.701 1.630 1.00 0.00 O ATOM 370 CB ALA A 22 10.694 4.025 1.971 1.00 0.00 C ATOM 0 H ALA A 22 11.531 2.907 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 22 10.905 5.585 0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.455 4.703 2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.771 3.655 1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.274 3.185 2.353 1.00 0.00 H new ATOM 376 N ARG A 23 12.663 6.615 1.972 1.00 0.00 N ATOM 377 CA ARG A 23 13.791 7.304 2.591 1.00 0.00 C ATOM 378 C ARG A 23 13.450 7.727 4.017 1.00 0.00 C ATOM 379 O ARG A 23 13.988 8.708 4.530 1.00 0.00 O ATOM 380 CB ARG A 23 14.184 8.528 1.759 1.00 0.00 C ATOM 381 CG ARG A 23 15.556 8.409 1.116 1.00 0.00 C ATOM 382 CD ARG A 23 15.573 9.013 -0.278 1.00 0.00 C ATOM 383 NE ARG A 23 15.280 8.021 -1.310 1.00 0.00 N ATOM 384 CZ ARG A 23 15.557 8.188 -2.601 1.00 0.00 C ATOM 385 NH1 ARG A 23 16.134 9.307 -3.022 1.00 0.00 N ATOM 386 NH2 ARG A 23 15.258 7.236 -3.472 1.00 0.00 N ATOM 0 H ARG A 23 11.813 7.174 1.905 1.00 0.00 H new ATOM 0 HA ARG A 23 14.635 6.615 2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.438 8.682 0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 23 14.166 9.412 2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 23 16.296 8.911 1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 23 15.844 7.359 1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.841 9.819 -0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 23 16.550 9.456 -0.469 1.00 0.00 H new ATOM 0 HE ARG A 23 14.837 7.148 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.367 10.043 -2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.345 9.431 -4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.815 6.374 -3.153 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.471 7.365 -4.461 1.00 0.00 H new ATOM 400 N GLY A 24 12.551 6.979 4.653 1.00 0.00 N ATOM 401 CA GLY A 24 12.154 7.292 6.013 1.00 0.00 C ATOM 402 C GLY A 24 11.037 6.398 6.510 1.00 0.00 C ATOM 403 O GLY A 24 10.573 5.515 5.789 1.00 0.00 O ATOM 0 H GLY A 24 12.092 6.163 4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.016 7.192 6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.833 8.332 6.064 1.00 0.00 H new ATOM 407 N ALA A 25 10.604 6.624 7.746 1.00 0.00 N ATOM 408 CA ALA A 25 9.535 5.831 8.340 1.00 0.00 C ATOM 409 C ALA A 25 8.186 6.170 7.713 1.00 0.00 C ATOM 410 O ALA A 25 7.290 5.327 7.651 1.00 0.00 O ATOM 411 CB ALA A 25 9.490 6.050 9.844 1.00 0.00 C ATOM 0 H ALA A 25 10.978 7.351 8.356 1.00 0.00 H new ATOM 0 HA ALA A 25 9.743 4.779 8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.687 5.452 10.275 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.441 5.751 10.284 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.309 7.104 10.053 1.00 0.00 H new ATOM 417 N ASP A 26 8.045 7.410 7.254 1.00 0.00 N ATOM 418 CA ASP A 26 6.803 7.860 6.635 1.00 0.00 C ATOM 419 C ASP A 26 6.464 7.014 5.411 1.00 0.00 C ATOM 420 O ASP A 26 5.302 6.674 5.186 1.00 0.00 O ATOM 421 CB ASP A 26 6.915 9.333 6.236 1.00 0.00 C ATOM 422 CG ASP A 26 6.432 10.266 7.329 1.00 0.00 C ATOM 423 OD1 ASP A 26 5.258 10.143 7.738 1.00 0.00 O ATOM 424 OD2 ASP A 26 7.226 11.120 7.775 1.00 0.00 O ATOM 0 H ASP A 26 8.775 8.121 7.299 1.00 0.00 H new ATOM 0 HA ASP A 26 6.001 7.746 7.364 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.953 9.564 5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.333 9.507 5.331 1.00 0.00 H new ATOM 429 N GLU A 27 7.482 6.680 4.626 1.00 0.00 N ATOM 430 CA GLU A 27 7.287 5.875 3.425 1.00 0.00 C ATOM 431 C GLU A 27 7.880 4.480 3.600 1.00 0.00 C ATOM 432 O GLU A 27 8.655 4.236 4.526 1.00 0.00 O ATOM 433 CB GLU A 27 7.923 6.564 2.215 1.00 0.00 C ATOM 434 CG GLU A 27 6.941 7.392 1.402 1.00 0.00 C ATOM 435 CD GLU A 27 6.939 8.854 1.803 1.00 0.00 C ATOM 436 OE1 GLU A 27 6.239 9.203 2.777 1.00 0.00 O ATOM 437 OE2 GLU A 27 7.637 9.651 1.141 1.00 0.00 O ATOM 0 H GLU A 27 8.449 6.953 4.799 1.00 0.00 H new ATOM 0 HA GLU A 27 6.215 5.775 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.732 7.208 2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.370 5.808 1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.191 7.310 0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.938 6.984 1.526 1.00 0.00 H new ATOM 444 N LEU A 28 7.511 3.571 2.705 1.00 0.00 N ATOM 445 CA LEU A 28 8.006 2.200 2.756 1.00 0.00 C ATOM 446 C LEU A 28 8.504 1.752 1.386 1.00 0.00 C ATOM 447 O LEU A 28 7.850 1.987 0.369 1.00 0.00 O ATOM 448 CB LEU A 28 6.907 1.256 3.249 1.00 0.00 C ATOM 449 CG LEU A 28 7.306 -0.217 3.335 1.00 0.00 C ATOM 450 CD1 LEU A 28 6.664 -0.875 4.546 1.00 0.00 C ATOM 451 CD2 LEU A 28 6.914 -0.949 2.059 1.00 0.00 C ATOM 0 H LEU A 28 6.870 3.759 1.934 1.00 0.00 H new ATOM 0 HA LEU A 28 8.842 2.166 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.582 1.586 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.048 1.345 2.584 1.00 0.00 H new ATOM 0 HG LEU A 28 8.389 -0.275 3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.960 -1.923 4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.992 -0.367 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.579 -0.807 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.205 -1.997 2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.835 -0.882 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.421 -0.494 1.208 1.00 0.00 H new ATOM 463 N SER A 29 9.667 1.111 1.365 1.00 0.00 N ATOM 464 CA SER A 29 10.256 0.634 0.119 1.00 0.00 C ATOM 465 C SER A 29 9.403 -0.462 -0.509 1.00 0.00 C ATOM 466 O SER A 29 9.033 -1.433 0.151 1.00 0.00 O ATOM 467 CB SER A 29 11.673 0.113 0.369 1.00 0.00 C ATOM 468 OG SER A 29 12.475 1.098 0.995 1.00 0.00 O ATOM 0 H SER A 29 10.221 0.909 2.197 1.00 0.00 H new ATOM 0 HA SER A 29 10.299 1.473 -0.575 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.631 -0.778 0.995 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.127 -0.183 -0.577 1.00 0.00 H new ATOM 0 HG SER A 29 13.375 0.740 1.145 1.00 0.00 H new ATOM 474 N LEU A 30 9.098 -0.299 -1.792 1.00 0.00 N ATOM 475 CA LEU A 30 8.293 -1.272 -2.522 1.00 0.00 C ATOM 476 C LEU A 30 9.099 -1.890 -3.660 1.00 0.00 C ATOM 477 O LEU A 30 9.798 -1.186 -4.391 1.00 0.00 O ATOM 478 CB LEU A 30 7.027 -0.608 -3.073 1.00 0.00 C ATOM 479 CG LEU A 30 5.713 -1.237 -2.613 1.00 0.00 C ATOM 480 CD1 LEU A 30 5.655 -2.706 -3.007 1.00 0.00 C ATOM 481 CD2 LEU A 30 5.545 -1.080 -1.109 1.00 0.00 C ATOM 0 H LEU A 30 9.397 0.501 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 30 8.003 -2.065 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.030 0.443 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.064 -0.637 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 30 4.892 -0.718 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.712 -3.136 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.728 -2.795 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.484 -3.240 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.604 -1.534 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.372 -1.573 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.539 -0.021 -0.852 1.00 0.00 H new ATOM 493 N GLN A 31 8.997 -3.206 -3.807 1.00 0.00 N ATOM 494 CA GLN A 31 9.719 -3.914 -4.858 1.00 0.00 C ATOM 495 C GLN A 31 8.788 -4.839 -5.633 1.00 0.00 C ATOM 496 O GLN A 31 7.830 -5.379 -5.078 1.00 0.00 O ATOM 497 CB GLN A 31 10.873 -4.720 -4.258 1.00 0.00 C ATOM 498 CG GLN A 31 11.982 -3.858 -3.681 1.00 0.00 C ATOM 499 CD GLN A 31 13.208 -4.664 -3.300 1.00 0.00 C ATOM 500 OE1 GLN A 31 14.325 -4.351 -3.711 1.00 0.00 O ATOM 501 NE2 GLN A 31 13.004 -5.711 -2.508 1.00 0.00 N ATOM 0 H GLN A 31 8.422 -3.804 -3.213 1.00 0.00 H new ATOM 0 HA GLN A 31 10.121 -3.173 -5.549 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.483 -5.368 -3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.291 -5.368 -5.028 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.263 -3.098 -4.410 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.609 -3.333 -2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.061 -5.934 -2.191 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.791 -6.292 -2.217 1.00 0.00 H new ATOM 510 N ILE A 32 9.075 -5.016 -6.918 1.00 0.00 N ATOM 511 CA ILE A 32 8.264 -5.877 -7.769 1.00 0.00 C ATOM 512 C ILE A 32 8.294 -7.320 -7.279 1.00 0.00 C ATOM 513 O ILE A 32 9.333 -7.820 -6.849 1.00 0.00 O ATOM 514 CB ILE A 32 8.744 -5.829 -9.235 1.00 0.00 C ATOM 515 CG1 ILE A 32 8.824 -4.380 -9.719 1.00 0.00 C ATOM 516 CG2 ILE A 32 7.815 -6.644 -10.129 1.00 0.00 C ATOM 517 CD1 ILE A 32 9.982 -4.120 -10.656 1.00 0.00 C ATOM 0 H ILE A 32 9.863 -4.575 -7.392 1.00 0.00 H new ATOM 0 HA ILE A 32 7.242 -5.503 -7.718 1.00 0.00 H new ATOM 0 HB ILE A 32 9.740 -6.267 -9.289 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.893 -4.122 -10.224 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.911 -3.721 -8.855 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.169 -6.599 -11.159 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.805 -7.681 -9.794 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.806 -6.235 -10.074 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.977 -3.073 -10.959 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.919 -4.346 -10.148 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.886 -4.753 -11.538 1.00 0.00 H new ATOM 529 N GLY A 33 7.145 -7.984 -7.346 1.00 0.00 N ATOM 530 CA GLY A 33 7.058 -9.363 -6.904 1.00 0.00 C ATOM 531 C GLY A 33 6.699 -9.489 -5.435 1.00 0.00 C ATOM 532 O GLY A 33 6.455 -10.592 -4.942 1.00 0.00 O ATOM 0 H GLY A 33 6.272 -7.591 -7.699 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.311 -9.885 -7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.012 -9.858 -7.084 1.00 0.00 H new ATOM 536 N ASP A 34 6.669 -8.362 -4.729 1.00 0.00 N ATOM 537 CA ASP A 34 6.339 -8.359 -3.308 1.00 0.00 C ATOM 538 C ASP A 34 4.848 -8.127 -3.095 1.00 0.00 C ATOM 539 O ASP A 34 4.244 -7.271 -3.742 1.00 0.00 O ATOM 540 CB ASP A 34 7.141 -7.278 -2.581 1.00 0.00 C ATOM 541 CG ASP A 34 8.585 -7.680 -2.356 1.00 0.00 C ATOM 542 OD1 ASP A 34 9.307 -7.886 -3.354 1.00 0.00 O ATOM 543 OD2 ASP A 34 8.994 -7.790 -1.181 1.00 0.00 O ATOM 0 H ASP A 34 6.869 -7.440 -5.118 1.00 0.00 H new ATOM 0 HA ASP A 34 6.599 -9.335 -2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.110 -6.355 -3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.672 -7.067 -1.620 1.00 0.00 H new ATOM 548 N THR A 35 4.260 -8.890 -2.178 1.00 0.00 N ATOM 549 CA THR A 35 2.841 -8.759 -1.876 1.00 0.00 C ATOM 550 C THR A 35 2.628 -7.778 -0.729 1.00 0.00 C ATOM 551 O THR A 35 3.292 -7.860 0.304 1.00 0.00 O ATOM 552 CB THR A 35 2.244 -10.121 -1.515 1.00 0.00 C ATOM 553 OG1 THR A 35 2.448 -11.051 -2.564 1.00 0.00 O ATOM 554 CG2 THR A 35 0.758 -10.062 -1.235 1.00 0.00 C ATOM 0 H THR A 35 4.744 -9.603 -1.633 1.00 0.00 H new ATOM 0 HA THR A 35 2.336 -8.377 -2.763 1.00 0.00 H new ATOM 0 HB THR A 35 2.758 -10.434 -0.606 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.061 -11.916 -2.314 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.395 -11.059 -0.985 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.572 -9.388 -0.399 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.235 -9.696 -2.119 1.00 0.00 H new ATOM 562 N VAL A 36 1.702 -6.844 -0.921 1.00 0.00 N ATOM 563 CA VAL A 36 1.410 -5.842 0.096 1.00 0.00 C ATOM 564 C VAL A 36 -0.010 -5.985 0.631 1.00 0.00 C ATOM 565 O VAL A 36 -0.953 -6.207 -0.130 1.00 0.00 O ATOM 566 CB VAL A 36 1.592 -4.417 -0.456 1.00 0.00 C ATOM 567 CG1 VAL A 36 3.069 -4.094 -0.623 1.00 0.00 C ATOM 568 CG2 VAL A 36 0.851 -4.256 -1.773 1.00 0.00 C ATOM 0 H VAL A 36 1.142 -6.761 -1.770 1.00 0.00 H new ATOM 0 HA VAL A 36 2.117 -6.009 0.909 1.00 0.00 H new ATOM 0 HB VAL A 36 1.169 -3.713 0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.178 -3.083 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.569 -4.165 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.520 -4.802 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.991 -3.242 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.241 -4.969 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.212 -4.441 -1.618 1.00 0.00 H new ATOM 578 N HIS A 37 -0.156 -5.846 1.944 1.00 0.00 N ATOM 579 CA HIS A 37 -1.461 -5.947 2.585 1.00 0.00 C ATOM 580 C HIS A 37 -2.040 -4.558 2.825 1.00 0.00 C ATOM 581 O HIS A 37 -1.560 -3.815 3.682 1.00 0.00 O ATOM 582 CB HIS A 37 -1.348 -6.704 3.910 1.00 0.00 C ATOM 583 CG HIS A 37 -2.672 -6.977 4.556 1.00 0.00 C ATOM 584 ND1 HIS A 37 -3.742 -6.172 4.756 1.00 0.00 N flip ATOM 585 CD2 HIS A 37 -3.013 -8.204 5.086 1.00 0.00 C flip ATOM 586 CE1 HIS A 37 -4.700 -6.920 5.397 1.00 0.00 C flip ATOM 587 NE2 HIS A 37 -4.236 -8.142 5.582 1.00 0.00 N flip ATOM 0 H HIS A 37 0.615 -5.663 2.586 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.129 -6.498 1.923 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.835 -7.650 3.736 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -0.729 -6.127 4.597 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.379 -9.079 5.094 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -5.674 -6.566 5.700 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -4.737 -8.908 6.032 1.00 0.00 H new ATOM 596 N ILE A 38 -3.065 -4.211 2.054 1.00 0.00 N ATOM 597 CA ILE A 38 -3.703 -2.906 2.170 1.00 0.00 C ATOM 598 C ILE A 38 -4.636 -2.842 3.375 1.00 0.00 C ATOM 599 O ILE A 38 -5.577 -3.628 3.492 1.00 0.00 O ATOM 600 CB ILE A 38 -4.507 -2.562 0.899 1.00 0.00 C ATOM 601 CG1 ILE A 38 -3.642 -2.761 -0.349 1.00 0.00 C ATOM 602 CG2 ILE A 38 -5.024 -1.132 0.966 1.00 0.00 C ATOM 603 CD1 ILE A 38 -4.384 -3.407 -1.499 1.00 0.00 C ATOM 0 H ILE A 38 -3.472 -4.817 1.341 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.902 -2.179 2.301 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.363 -3.235 0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.257 -1.794 -0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.781 -3.377 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.589 -0.907 0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.672 -1.020 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.182 -0.444 1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.711 -3.518 -2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.746 -4.388 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.229 -2.781 -1.784 1.00 0.00 H new ATOM 615 N LEU A 39 -4.375 -1.888 4.263 1.00 0.00 N ATOM 616 CA LEU A 39 -5.194 -1.705 5.456 1.00 0.00 C ATOM 617 C LEU A 39 -5.918 -0.360 5.413 1.00 0.00 C ATOM 618 O LEU A 39 -6.977 -0.196 6.019 1.00 0.00 O ATOM 619 CB LEU A 39 -4.335 -1.803 6.720 1.00 0.00 C ATOM 620 CG LEU A 39 -3.134 -0.855 6.769 1.00 0.00 C ATOM 621 CD1 LEU A 39 -3.532 0.482 7.372 1.00 0.00 C ATOM 622 CD2 LEU A 39 -1.996 -1.483 7.558 1.00 0.00 C ATOM 0 H LEU A 39 -3.601 -1.229 4.179 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.940 -2.499 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.968 -1.607 7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.973 -2.827 6.815 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.790 -0.679 5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.665 1.142 7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.315 0.936 6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.902 0.328 8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.149 -0.797 7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.328 -1.688 8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.693 -2.415 7.081 1.00 0.00 H new ATOM 634 N GLU A 40 -5.343 0.596 4.687 1.00 0.00 N ATOM 635 CA GLU A 40 -5.934 1.923 4.558 1.00 0.00 C ATOM 636 C GLU A 40 -5.980 2.351 3.093 1.00 0.00 C ATOM 637 O GLU A 40 -5.132 1.954 2.296 1.00 0.00 O ATOM 638 CB GLU A 40 -5.141 2.943 5.380 1.00 0.00 C ATOM 639 CG GLU A 40 -5.919 3.513 6.554 1.00 0.00 C ATOM 640 CD GLU A 40 -6.453 2.437 7.480 1.00 0.00 C ATOM 641 OE1 GLU A 40 -7.553 1.913 7.210 1.00 0.00 O ATOM 642 OE2 GLU A 40 -5.768 2.120 8.475 1.00 0.00 O ATOM 0 H GLU A 40 -4.467 0.475 4.179 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.954 1.881 4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.232 2.470 5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.831 3.760 4.729 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.274 4.186 7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.751 4.109 6.178 1.00 0.00 H new ATOM 649 N THR A 41 -6.976 3.162 2.745 1.00 0.00 N ATOM 650 CA THR A 41 -7.126 3.637 1.374 1.00 0.00 C ATOM 651 C THR A 41 -7.894 4.952 1.330 1.00 0.00 C ATOM 652 O THR A 41 -8.308 5.477 2.364 1.00 0.00 O ATOM 653 CB THR A 41 -7.845 2.587 0.527 1.00 0.00 C ATOM 654 OG1 THR A 41 -7.940 3.011 -0.822 1.00 0.00 O ATOM 655 CG2 THR A 41 -9.245 2.283 1.012 1.00 0.00 C ATOM 0 H THR A 41 -7.688 3.502 3.391 1.00 0.00 H new ATOM 0 HA THR A 41 -6.130 3.808 0.966 1.00 0.00 H new ATOM 0 HB THR A 41 -7.243 1.683 0.616 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.085 2.854 -1.275 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.698 1.530 0.367 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.202 1.907 2.034 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.845 3.193 0.985 1.00 0.00 H new ATOM 663 N TYR A 42 -8.084 5.481 0.124 1.00 0.00 N ATOM 664 CA TYR A 42 -8.804 6.737 -0.058 1.00 0.00 C ATOM 665 C TYR A 42 -8.924 7.087 -1.540 1.00 0.00 C ATOM 666 O TYR A 42 -10.027 7.161 -2.081 1.00 0.00 O ATOM 667 CB TYR A 42 -8.097 7.868 0.689 1.00 0.00 C ATOM 668 CG TYR A 42 -9.011 9.015 1.057 1.00 0.00 C ATOM 669 CD1 TYR A 42 -10.125 8.809 1.860 1.00 0.00 C ATOM 670 CD2 TYR A 42 -8.759 10.303 0.603 1.00 0.00 C ATOM 671 CE1 TYR A 42 -10.964 9.854 2.199 1.00 0.00 C ATOM 672 CE2 TYR A 42 -9.593 11.354 0.938 1.00 0.00 C ATOM 673 CZ TYR A 42 -10.692 11.125 1.735 1.00 0.00 C ATOM 674 OH TYR A 42 -11.525 12.168 2.071 1.00 0.00 O ATOM 0 H TYR A 42 -7.749 5.059 -0.742 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.807 6.613 0.350 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.648 7.467 1.597 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.283 8.247 0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.340 7.816 2.226 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.898 10.487 -0.022 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.827 9.677 2.823 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.383 12.350 0.576 1.00 0.00 H new ATOM 0 HH TYR A 42 -11.193 12.996 1.665 1.00 0.00 H new ATOM 684 N GLU A 43 -7.782 7.303 -2.186 1.00 0.00 N ATOM 685 CA GLU A 43 -7.755 7.648 -3.603 1.00 0.00 C ATOM 686 C GLU A 43 -6.320 7.862 -4.074 1.00 0.00 C ATOM 687 O GLU A 43 -5.718 8.902 -3.807 1.00 0.00 O ATOM 688 CB GLU A 43 -8.583 8.909 -3.863 1.00 0.00 C ATOM 689 CG GLU A 43 -8.234 10.064 -2.940 1.00 0.00 C ATOM 690 CD GLU A 43 -9.209 11.220 -3.059 1.00 0.00 C ATOM 691 OE1 GLU A 43 -9.721 11.452 -4.174 1.00 0.00 O ATOM 692 OE2 GLU A 43 -9.458 11.895 -2.039 1.00 0.00 O ATOM 0 H GLU A 43 -6.862 7.245 -1.750 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.189 6.820 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.437 9.223 -4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.640 8.670 -3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.220 9.709 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.228 10.416 -3.169 1.00 0.00 H new ATOM 699 N GLY A 44 -5.774 6.870 -4.767 1.00 0.00 N ATOM 700 CA GLY A 44 -4.410 6.970 -5.253 1.00 0.00 C ATOM 701 C GLY A 44 -3.413 7.110 -4.120 1.00 0.00 C ATOM 702 O GLY A 44 -2.366 7.738 -4.274 1.00 0.00 O ATOM 0 H GLY A 44 -6.250 5.999 -5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.169 6.085 -5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.324 7.828 -5.919 1.00 0.00 H new ATOM 706 N TRP A 45 -3.747 6.523 -2.976 1.00 0.00 N ATOM 707 CA TRP A 45 -2.889 6.579 -1.799 1.00 0.00 C ATOM 708 C TRP A 45 -3.341 5.549 -0.769 1.00 0.00 C ATOM 709 O TRP A 45 -4.295 5.784 -0.026 1.00 0.00 O ATOM 710 CB TRP A 45 -2.939 7.982 -1.185 1.00 0.00 C ATOM 711 CG TRP A 45 -1.604 8.615 -0.875 1.00 0.00 C ATOM 712 CD1 TRP A 45 -1.429 9.849 -0.316 1.00 0.00 C ATOM 713 CD2 TRP A 45 -0.277 8.085 -1.092 1.00 0.00 C ATOM 714 NE1 TRP A 45 -0.095 10.125 -0.174 1.00 0.00 N ATOM 715 CE2 TRP A 45 0.634 9.065 -0.639 1.00 0.00 C ATOM 716 CE3 TRP A 45 0.240 6.892 -1.618 1.00 0.00 C ATOM 717 CZ2 TRP A 45 2.014 8.890 -0.698 1.00 0.00 C ATOM 718 CZ3 TRP A 45 1.612 6.724 -1.673 1.00 0.00 C ATOM 719 CH2 TRP A 45 2.484 7.719 -1.216 1.00 0.00 C ATOM 0 H TRP A 45 -4.612 6.000 -2.839 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.865 6.354 -2.099 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.480 8.637 -1.868 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.519 7.934 -0.263 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.230 10.513 -0.027 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.293 10.984 0.216 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.422 6.117 -1.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.689 9.656 -0.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.018 5.808 -2.076 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.550 7.556 -1.275 1.00 0.00 H new ATOM 730 N TYR A 46 -2.666 4.405 -0.728 1.00 0.00 N ATOM 731 CA TYR A 46 -3.023 3.350 0.214 1.00 0.00 C ATOM 732 C TYR A 46 -1.870 3.033 1.157 1.00 0.00 C ATOM 733 O TYR A 46 -0.701 3.158 0.792 1.00 0.00 O ATOM 734 CB TYR A 46 -3.431 2.075 -0.529 1.00 0.00 C ATOM 735 CG TYR A 46 -4.351 2.306 -1.708 1.00 0.00 C ATOM 736 CD1 TYR A 46 -5.272 3.347 -1.709 1.00 0.00 C ATOM 737 CD2 TYR A 46 -4.296 1.477 -2.819 1.00 0.00 C ATOM 738 CE1 TYR A 46 -6.113 3.552 -2.787 1.00 0.00 C ATOM 739 CE2 TYR A 46 -5.133 1.674 -3.899 1.00 0.00 C ATOM 740 CZ TYR A 46 -6.039 2.714 -3.878 1.00 0.00 C ATOM 741 OH TYR A 46 -6.875 2.913 -4.954 1.00 0.00 O ATOM 0 H TYR A 46 -1.874 4.185 -1.332 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.866 3.714 0.801 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.531 1.570 -0.879 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.922 1.401 0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.332 4.005 -0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.586 0.663 -2.839 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.824 4.365 -2.774 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.079 1.018 -4.755 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.089 3.866 -5.030 1.00 0.00 H new ATOM 751 N ARG A 47 -2.214 2.611 2.368 1.00 0.00 N ATOM 752 CA ARG A 47 -1.220 2.257 3.371 1.00 0.00 C ATOM 753 C ARG A 47 -1.345 0.784 3.741 1.00 0.00 C ATOM 754 O ARG A 47 -2.447 0.240 3.784 1.00 0.00 O ATOM 755 CB ARG A 47 -1.391 3.127 4.619 1.00 0.00 C ATOM 756 CG ARG A 47 -0.393 2.813 5.723 1.00 0.00 C ATOM 757 CD ARG A 47 -0.957 3.143 7.095 1.00 0.00 C ATOM 758 NE ARG A 47 0.084 3.573 8.026 1.00 0.00 N ATOM 759 CZ ARG A 47 0.596 4.802 8.049 1.00 0.00 C ATOM 760 NH1 ARG A 47 0.167 5.725 7.198 1.00 0.00 N ATOM 761 NH2 ARG A 47 1.542 5.109 8.929 1.00 0.00 N ATOM 0 H ARG A 47 -3.180 2.506 2.679 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.229 2.432 2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.290 4.175 4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.401 2.997 5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.125 1.757 5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.523 3.381 5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.705 3.930 7.000 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.465 2.267 7.498 1.00 0.00 H new ATOM 0 HE ARG A 47 0.439 2.892 8.697 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.560 5.495 6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.564 6.664 7.222 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.876 4.404 9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.935 6.050 8.948 1.00 0.00 H new ATOM 775 N GLY A 48 -0.212 0.141 4.001 1.00 0.00 N ATOM 776 CA GLY A 48 -0.229 -1.264 4.358 1.00 0.00 C ATOM 777 C GLY A 48 1.144 -1.792 4.717 1.00 0.00 C ATOM 778 O GLY A 48 2.032 -1.028 5.094 1.00 0.00 O ATOM 0 H GLY A 48 0.715 0.566 3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.903 -1.412 5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.630 -1.842 3.525 1.00 0.00 H new ATOM 782 N TYR A 49 1.317 -3.104 4.599 1.00 0.00 N ATOM 783 CA TYR A 49 2.594 -3.737 4.916 1.00 0.00 C ATOM 784 C TYR A 49 2.816 -4.978 4.059 1.00 0.00 C ATOM 785 O TYR A 49 1.882 -5.731 3.785 1.00 0.00 O ATOM 786 CB TYR A 49 2.645 -4.109 6.399 1.00 0.00 C ATOM 787 CG TYR A 49 1.578 -5.100 6.811 1.00 0.00 C ATOM 788 CD1 TYR A 49 1.802 -6.466 6.727 1.00 0.00 C ATOM 789 CD2 TYR A 49 0.348 -4.664 7.286 1.00 0.00 C ATOM 790 CE1 TYR A 49 0.830 -7.373 7.104 1.00 0.00 C ATOM 791 CE2 TYR A 49 -0.630 -5.565 7.664 1.00 0.00 C ATOM 792 CZ TYR A 49 -0.384 -6.918 7.573 1.00 0.00 C ATOM 793 OH TYR A 49 -1.354 -7.817 7.948 1.00 0.00 O ATOM 0 H TYR A 49 0.591 -3.749 4.287 1.00 0.00 H new ATOM 0 HA TYR A 49 3.389 -3.024 4.699 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.625 -4.527 6.627 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.538 -3.203 6.996 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.752 -6.827 6.361 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.152 -3.605 7.361 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.020 -8.434 7.032 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.583 -5.210 8.029 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.148 -7.332 8.256 1.00 0.00 H new ATOM 803 N THR A 50 4.059 -5.184 3.637 1.00 0.00 N ATOM 804 CA THR A 50 4.405 -6.335 2.809 1.00 0.00 C ATOM 805 C THR A 50 4.470 -7.609 3.645 1.00 0.00 C ATOM 806 O THR A 50 4.660 -7.558 4.860 1.00 0.00 O ATOM 807 CB THR A 50 5.744 -6.100 2.108 1.00 0.00 C ATOM 808 OG1 THR A 50 6.706 -5.600 3.021 1.00 0.00 O ATOM 809 CG2 THR A 50 5.655 -5.125 0.954 1.00 0.00 C ATOM 0 H THR A 50 4.844 -4.570 3.854 1.00 0.00 H new ATOM 0 HA THR A 50 3.626 -6.457 2.057 1.00 0.00 H new ATOM 0 HB THR A 50 6.039 -7.073 1.716 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.556 -5.458 2.555 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.640 -5.005 0.502 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.958 -5.507 0.208 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.303 -4.160 1.319 1.00 0.00 H new ATOM 817 N LEU A 51 4.313 -8.752 2.985 1.00 0.00 N ATOM 818 CA LEU A 51 4.354 -10.041 3.667 1.00 0.00 C ATOM 819 C LEU A 51 5.742 -10.308 4.241 1.00 0.00 C ATOM 820 O LEU A 51 5.883 -10.979 5.264 1.00 0.00 O ATOM 821 CB LEU A 51 3.965 -11.163 2.704 1.00 0.00 C ATOM 822 CG LEU A 51 2.463 -11.430 2.591 1.00 0.00 C ATOM 823 CD1 LEU A 51 1.919 -11.981 3.900 1.00 0.00 C ATOM 824 CD2 LEU A 51 1.724 -10.159 2.199 1.00 0.00 C ATOM 0 H LEU A 51 4.156 -8.812 1.979 1.00 0.00 H new ATOM 0 HA LEU A 51 3.639 -10.012 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.351 -10.921 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.459 -12.081 3.022 1.00 0.00 H new ATOM 0 HG LEU A 51 2.304 -12.175 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.849 -12.165 3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.427 -12.915 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.090 -11.259 4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.657 -10.367 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.891 -9.393 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.094 -9.805 1.237 1.00 0.00 H new ATOM 836 N ARG A 52 6.765 -9.778 3.578 1.00 0.00 N ATOM 837 CA ARG A 52 8.141 -9.960 4.022 1.00 0.00 C ATOM 838 C ARG A 52 8.363 -9.308 5.384 1.00 0.00 C ATOM 839 O ARG A 52 8.633 -9.991 6.373 1.00 0.00 O ATOM 840 CB ARG A 52 9.112 -9.369 2.999 1.00 0.00 C ATOM 841 CG ARG A 52 9.578 -10.371 1.954 1.00 0.00 C ATOM 842 CD ARG A 52 10.375 -9.695 0.849 1.00 0.00 C ATOM 843 NE ARG A 52 11.534 -10.488 0.445 1.00 0.00 N ATOM 844 CZ ARG A 52 12.666 -10.553 1.141 1.00 0.00 C ATOM 845 NH1 ARG A 52 12.797 -9.875 2.273 1.00 0.00 N ATOM 846 NH2 ARG A 52 13.671 -11.298 0.703 1.00 0.00 N ATOM 0 H ARG A 52 6.666 -9.219 2.731 1.00 0.00 H new ATOM 0 HA ARG A 52 8.328 -11.030 4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.631 -8.530 2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.981 -8.972 3.523 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.191 -11.136 2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.714 -10.877 1.523 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.730 -9.530 -0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.708 -8.715 1.190 1.00 0.00 H new ATOM 0 HE ARG A 52 11.471 -11.023 -0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.027 -9.299 2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.667 -9.929 2.802 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.576 -11.821 -0.167 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.539 -11.348 1.236 1.00 0.00 H new ATOM 860 N LYS A 53 8.248 -7.985 5.428 1.00 0.00 N ATOM 861 CA LYS A 53 8.436 -7.240 6.666 1.00 0.00 C ATOM 862 C LYS A 53 7.123 -6.618 7.131 1.00 0.00 C ATOM 863 O LYS A 53 6.696 -5.585 6.612 1.00 0.00 O ATOM 864 CB LYS A 53 9.491 -6.149 6.474 1.00 0.00 C ATOM 865 CG LYS A 53 9.179 -5.199 5.328 1.00 0.00 C ATOM 866 CD LYS A 53 10.294 -5.175 4.293 1.00 0.00 C ATOM 867 CE LYS A 53 11.081 -3.876 4.350 1.00 0.00 C ATOM 868 NZ LYS A 53 10.264 -2.712 3.909 1.00 0.00 N ATOM 0 H LYS A 53 8.025 -7.406 4.618 1.00 0.00 H new ATOM 0 HA LYS A 53 8.779 -7.936 7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.581 -5.576 7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.458 -6.618 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.246 -5.500 4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.026 -4.194 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.966 -6.016 4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.870 -5.301 3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.432 -3.708 5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.965 -3.959 3.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.893 -1.948 3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.643 -3.000 3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.684 -2.374 4.703 1.00 0.00 H new ATOM 882 N LYS A 54 6.486 -7.254 8.109 1.00 0.00 N ATOM 883 CA LYS A 54 5.221 -6.761 8.642 1.00 0.00 C ATOM 884 C LYS A 54 5.442 -5.555 9.548 1.00 0.00 C ATOM 885 O LYS A 54 4.606 -4.653 9.613 1.00 0.00 O ATOM 886 CB LYS A 54 4.505 -7.870 9.416 1.00 0.00 C ATOM 887 CG LYS A 54 4.410 -9.181 8.651 1.00 0.00 C ATOM 888 CD LYS A 54 3.686 -10.247 9.459 1.00 0.00 C ATOM 889 CE LYS A 54 3.396 -11.481 8.620 1.00 0.00 C ATOM 890 NZ LYS A 54 3.652 -12.739 9.375 1.00 0.00 N ATOM 0 H LYS A 54 6.824 -8.110 8.548 1.00 0.00 H new ATOM 0 HA LYS A 54 4.599 -6.451 7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.030 -8.044 10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.500 -7.534 9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.885 -9.017 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.412 -9.531 8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.292 -10.526 10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.751 -9.840 9.845 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.357 -11.460 8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.015 -11.464 7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.442 -13.557 8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.650 -12.772 9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.043 -12.768 10.218 1.00 0.00 H new ATOM 904 N SER A 55 6.572 -5.545 10.246 1.00 0.00 N ATOM 905 CA SER A 55 6.902 -4.448 11.150 1.00 0.00 C ATOM 906 C SER A 55 7.029 -3.133 10.388 1.00 0.00 C ATOM 907 O SER A 55 6.747 -2.063 10.926 1.00 0.00 O ATOM 908 CB SER A 55 8.205 -4.748 11.893 1.00 0.00 C ATOM 909 OG SER A 55 9.069 -5.550 11.106 1.00 0.00 O ATOM 0 H SER A 55 7.275 -6.283 10.204 1.00 0.00 H new ATOM 0 HA SER A 55 6.092 -4.350 11.873 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.704 -3.814 12.149 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.983 -5.258 12.830 1.00 0.00 H new ATOM 0 HG SER A 55 9.895 -5.726 11.603 1.00 0.00 H new ATOM 915 N LYS A 56 7.453 -3.220 9.132 1.00 0.00 N ATOM 916 CA LYS A 56 7.617 -2.035 8.295 1.00 0.00 C ATOM 917 C LYS A 56 6.308 -1.678 7.598 1.00 0.00 C ATOM 918 O LYS A 56 5.768 -2.469 6.824 1.00 0.00 O ATOM 919 CB LYS A 56 8.719 -2.267 7.259 1.00 0.00 C ATOM 920 CG LYS A 56 9.800 -1.197 7.273 1.00 0.00 C ATOM 921 CD LYS A 56 11.044 -1.671 8.008 1.00 0.00 C ATOM 922 CE LYS A 56 10.847 -1.631 9.516 1.00 0.00 C ATOM 923 NZ LYS A 56 12.000 -2.233 10.243 1.00 0.00 N ATOM 0 H LYS A 56 7.690 -4.098 8.670 1.00 0.00 H new ATOM 0 HA LYS A 56 7.903 -1.201 8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.178 -3.239 7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.271 -2.307 6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.061 -0.929 6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.415 -0.296 7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.286 -2.688 7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.892 -1.043 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.714 -0.598 9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.934 -2.166 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.827 -2.186 11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.111 -3.226 9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.868 -1.707 10.014 1.00 0.00 H new ATOM 937 N LYS A 57 5.803 -0.479 7.874 1.00 0.00 N ATOM 938 CA LYS A 57 4.559 -0.016 7.272 1.00 0.00 C ATOM 939 C LYS A 57 4.789 1.247 6.449 1.00 0.00 C ATOM 940 O LYS A 57 5.719 2.010 6.711 1.00 0.00 O ATOM 941 CB LYS A 57 3.512 0.251 8.358 1.00 0.00 C ATOM 942 CG LYS A 57 2.464 -0.844 8.475 1.00 0.00 C ATOM 943 CD LYS A 57 1.637 -0.691 9.740 1.00 0.00 C ATOM 944 CE LYS A 57 0.498 -1.697 9.787 1.00 0.00 C ATOM 945 NZ LYS A 57 0.827 -2.870 10.643 1.00 0.00 N ATOM 0 H LYS A 57 6.237 0.189 8.511 1.00 0.00 H new ATOM 0 HA LYS A 57 4.193 -0.798 6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.017 0.364 9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.014 1.197 8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.808 -0.816 7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.953 -1.818 8.474 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.277 -0.824 10.612 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.233 0.320 9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.400 -1.211 10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.272 -2.037 8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.025 -3.532 10.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.669 -3.350 10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.017 -2.549 11.614 1.00 0.00 H new ATOM 959 N GLY A 58 3.936 1.462 5.451 1.00 0.00 N ATOM 960 CA GLY A 58 4.066 2.635 4.605 1.00 0.00 C ATOM 961 C GLY A 58 2.930 2.765 3.612 1.00 0.00 C ATOM 962 O GLY A 58 2.007 1.950 3.604 1.00 0.00 O ATOM 0 H GLY A 58 3.159 0.846 5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.101 3.527 5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.012 2.586 4.065 1.00 0.00 H new ATOM 966 N ILE A 59 2.999 3.791 2.769 1.00 0.00 N ATOM 967 CA ILE A 59 1.971 4.026 1.763 1.00 0.00 C ATOM 968 C ILE A 59 2.539 3.857 0.358 1.00 0.00 C ATOM 969 O ILE A 59 3.742 4.005 0.143 1.00 0.00 O ATOM 970 CB ILE A 59 1.360 5.435 1.900 1.00 0.00 C ATOM 971 CG1 ILE A 59 2.465 6.488 1.992 1.00 0.00 C ATOM 972 CG2 ILE A 59 0.454 5.498 3.122 1.00 0.00 C ATOM 973 CD1 ILE A 59 1.946 7.903 2.126 1.00 0.00 C ATOM 0 H ILE A 59 3.757 4.473 2.763 1.00 0.00 H new ATOM 0 HA ILE A 59 1.186 3.287 1.927 1.00 0.00 H new ATOM 0 HB ILE A 59 0.761 5.645 1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.101 6.261 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.092 6.423 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.028 6.498 3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.350 4.769 3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.034 5.272 4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.786 8.595 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.334 8.150 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.343 7.985 3.030 1.00 0.00 H new ATOM 985 N PHE A 60 1.671 3.537 -0.597 1.00 0.00 N ATOM 986 CA PHE A 60 2.097 3.340 -1.978 1.00 0.00 C ATOM 987 C PHE A 60 1.003 3.758 -2.960 1.00 0.00 C ATOM 988 O PHE A 60 -0.180 3.767 -2.617 1.00 0.00 O ATOM 989 CB PHE A 60 2.466 1.875 -2.210 1.00 0.00 C ATOM 990 CG PHE A 60 1.416 0.911 -1.736 1.00 0.00 C ATOM 991 CD1 PHE A 60 0.161 0.887 -2.326 1.00 0.00 C ATOM 992 CD2 PHE A 60 1.679 0.030 -0.698 1.00 0.00 C ATOM 993 CE1 PHE A 60 -0.809 0.005 -1.892 1.00 0.00 C ATOM 994 CE2 PHE A 60 0.712 -0.854 -0.259 1.00 0.00 C ATOM 995 CZ PHE A 60 -0.533 -0.868 -0.857 1.00 0.00 C ATOM 0 H PHE A 60 0.671 3.409 -0.440 1.00 0.00 H new ATOM 0 HA PHE A 60 2.971 3.967 -2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.640 1.716 -3.274 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.404 1.659 -1.698 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.061 1.567 -3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.651 0.035 -0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.782 -0.002 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.930 -1.534 0.551 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.289 -1.560 -0.516 1.00 0.00 H new ATOM 1005 N PRO A 61 1.386 4.102 -4.203 1.00 0.00 N ATOM 1006 CA PRO A 61 0.433 4.514 -5.239 1.00 0.00 C ATOM 1007 C PRO A 61 -0.526 3.387 -5.608 1.00 0.00 C ATOM 1008 O PRO A 61 -0.135 2.222 -5.656 1.00 0.00 O ATOM 1009 CB PRO A 61 1.321 4.874 -6.439 1.00 0.00 C ATOM 1010 CG PRO A 61 2.693 5.038 -5.878 1.00 0.00 C ATOM 1011 CD PRO A 61 2.771 4.114 -4.699 1.00 0.00 C ATOM 0 HA PRO A 61 -0.197 5.339 -4.906 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.297 4.090 -7.196 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.980 5.791 -6.919 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.451 4.788 -6.621 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.871 6.070 -5.577 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.106 3.118 -4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.468 4.479 -3.944 1.00 0.00 H new ATOM 1019 N ALA A 62 -1.780 3.739 -5.863 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.794 2.754 -6.220 1.00 0.00 C ATOM 1021 C ALA A 62 -2.557 2.180 -7.615 1.00 0.00 C ATOM 1022 O ALA A 62 -2.707 0.978 -7.837 1.00 0.00 O ATOM 1023 CB ALA A 62 -4.180 3.376 -6.134 1.00 0.00 C ATOM 0 H ALA A 62 -2.120 4.700 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.724 1.931 -5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.930 2.632 -6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.361 3.723 -5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.243 4.220 -6.821 1.00 0.00 H new ATOM 1029 N SER A 63 -2.194 3.047 -8.553 1.00 0.00 N ATOM 1030 CA SER A 63 -1.945 2.629 -9.931 1.00 0.00 C ATOM 1031 C SER A 63 -0.869 1.548 -10.000 1.00 0.00 C ATOM 1032 O SER A 63 -0.810 0.781 -10.961 1.00 0.00 O ATOM 1033 CB SER A 63 -1.527 3.831 -10.780 1.00 0.00 C ATOM 1034 OG SER A 63 -0.783 4.762 -10.015 1.00 0.00 O ATOM 0 H SER A 63 -2.065 4.045 -8.386 1.00 0.00 H new ATOM 0 HA SER A 63 -2.872 2.212 -10.324 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.930 3.492 -11.627 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.413 4.317 -11.189 1.00 0.00 H new ATOM 0 HG SER A 63 -0.527 5.520 -10.581 1.00 0.00 H new ATOM 1040 N TYR A 64 -0.017 1.494 -8.982 1.00 0.00 N ATOM 1041 CA TYR A 64 1.057 0.507 -8.938 1.00 0.00 C ATOM 1042 C TYR A 64 0.729 -0.616 -7.960 1.00 0.00 C ATOM 1043 O TYR A 64 1.604 -1.116 -7.252 1.00 0.00 O ATOM 1044 CB TYR A 64 2.369 1.189 -8.560 1.00 0.00 C ATOM 1045 CG TYR A 64 2.878 2.103 -9.647 1.00 0.00 C ATOM 1046 CD1 TYR A 64 3.077 1.627 -10.937 1.00 0.00 C ATOM 1047 CD2 TYR A 64 3.145 3.441 -9.393 1.00 0.00 C ATOM 1048 CE1 TYR A 64 3.527 2.457 -11.944 1.00 0.00 C ATOM 1049 CE2 TYR A 64 3.598 4.279 -10.395 1.00 0.00 C ATOM 1050 CZ TYR A 64 3.786 3.783 -11.668 1.00 0.00 C ATOM 1051 OH TYR A 64 4.235 4.615 -12.669 1.00 0.00 O ATOM 0 H TYR A 64 -0.049 2.120 -8.178 1.00 0.00 H new ATOM 0 HA TYR A 64 1.162 0.062 -9.927 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.226 1.763 -7.644 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.121 0.430 -8.346 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.876 0.589 -11.156 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.997 3.833 -8.398 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.675 2.070 -12.941 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.804 5.318 -10.182 1.00 0.00 H new ATOM 0 HH TYR A 64 4.368 5.517 -12.310 1.00 0.00 H new ATOM 1061 N ILE A 65 -0.541 -1.011 -7.934 1.00 0.00 N ATOM 1062 CA ILE A 65 -0.997 -2.080 -7.050 1.00 0.00 C ATOM 1063 C ILE A 65 -1.994 -2.991 -7.763 1.00 0.00 C ATOM 1064 O ILE A 65 -2.623 -2.594 -8.744 1.00 0.00 O ATOM 1065 CB ILE A 65 -1.655 -1.512 -5.776 1.00 0.00 C ATOM 1066 CG1 ILE A 65 -0.677 -0.592 -5.042 1.00 0.00 C ATOM 1067 CG2 ILE A 65 -2.125 -2.640 -4.863 1.00 0.00 C ATOM 1068 CD1 ILE A 65 0.419 -1.331 -4.305 1.00 0.00 C ATOM 0 H ILE A 65 -1.274 -0.606 -8.516 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.117 -2.658 -6.768 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.528 -0.928 -6.067 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.223 0.089 -5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.232 0.020 -4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.586 -2.217 -3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.853 -3.256 -5.391 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.272 -3.254 -4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.072 -0.613 -3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.025 -1.992 -3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.000 -1.921 -5.014 1.00 0.00 H new ATOM 1080 N HIS A 66 -2.134 -4.214 -7.259 1.00 0.00 N ATOM 1081 CA HIS A 66 -3.055 -5.182 -7.844 1.00 0.00 C ATOM 1082 C HIS A 66 -3.615 -6.114 -6.773 1.00 0.00 C ATOM 1083 O HIS A 66 -2.887 -6.924 -6.200 1.00 0.00 O ATOM 1084 CB HIS A 66 -2.351 -5.998 -8.929 1.00 0.00 C ATOM 1085 CG HIS A 66 -3.289 -6.780 -9.796 1.00 0.00 C ATOM 1086 ND1 HIS A 66 -3.526 -6.471 -11.118 1.00 0.00 N ATOM 1087 CD2 HIS A 66 -4.049 -7.867 -9.523 1.00 0.00 C ATOM 1088 CE1 HIS A 66 -4.393 -7.332 -11.621 1.00 0.00 C ATOM 1089 NE2 HIS A 66 -4.724 -8.189 -10.674 1.00 0.00 N ATOM 0 H HIS A 66 -1.621 -4.558 -6.447 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.883 -4.633 -8.293 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.766 -5.325 -9.556 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.648 -6.685 -8.457 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.112 -8.384 -8.577 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.767 -7.334 -12.634 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.376 -8.966 -10.780 1.00 0.00 H new ATOM 1098 N LEU A 67 -4.912 -5.994 -6.512 1.00 0.00 N ATOM 1099 CA LEU A 67 -5.570 -6.827 -5.511 1.00 0.00 C ATOM 1100 C LEU A 67 -5.515 -8.299 -5.908 1.00 0.00 C ATOM 1101 O LEU A 67 -5.832 -8.658 -7.042 1.00 0.00 O ATOM 1102 CB LEU A 67 -7.024 -6.390 -5.329 1.00 0.00 C ATOM 1103 CG LEU A 67 -7.222 -5.125 -4.491 1.00 0.00 C ATOM 1104 CD1 LEU A 67 -6.758 -5.355 -3.061 1.00 0.00 C ATOM 1105 CD2 LEU A 67 -6.478 -3.954 -5.114 1.00 0.00 C ATOM 0 H LEU A 67 -5.528 -5.329 -6.979 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.040 -6.703 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.464 -6.228 -6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.577 -7.206 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.285 -4.886 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.906 -4.445 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.334 -6.167 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.700 -5.618 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.629 -3.062 -4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.414 -4.184 -5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.857 -3.776 -6.120 1.00 0.00 H new ATOM 1117 N LYS A 68 -5.116 -9.148 -4.966 1.00 0.00 N ATOM 1118 CA LYS A 68 -5.023 -10.580 -5.218 1.00 0.00 C ATOM 1119 C LYS A 68 -6.222 -11.314 -4.625 1.00 0.00 C ATOM 1120 O LYS A 68 -7.083 -10.704 -3.992 1.00 0.00 O ATOM 1121 CB LYS A 68 -3.725 -11.141 -4.633 1.00 0.00 C ATOM 1122 CG LYS A 68 -2.539 -11.039 -5.579 1.00 0.00 C ATOM 1123 CD LYS A 68 -1.762 -12.344 -5.649 1.00 0.00 C ATOM 1124 CE LYS A 68 -1.323 -12.660 -7.069 1.00 0.00 C ATOM 1125 NZ LYS A 68 0.091 -13.123 -7.125 1.00 0.00 N ATOM 0 H LYS A 68 -4.852 -8.868 -4.021 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.021 -10.735 -6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.491 -10.608 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.878 -12.187 -4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.890 -10.771 -6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.877 -10.239 -5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.887 -12.282 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.381 -13.157 -5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.973 -13.429 -7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.439 -11.772 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.473 -12.958 -8.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.657 -12.596 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.133 -14.139 -6.907 1.00 0.00 H new ATOM 1139 N GLU A 69 -6.270 -12.625 -4.836 1.00 0.00 N ATOM 1140 CA GLU A 69 -7.364 -13.440 -4.322 1.00 0.00 C ATOM 1141 C GLU A 69 -7.033 -13.983 -2.936 1.00 0.00 C ATOM 1142 O GLU A 69 -7.759 -13.737 -1.973 1.00 0.00 O ATOM 1143 CB GLU A 69 -7.659 -14.596 -5.280 1.00 0.00 C ATOM 1144 CG GLU A 69 -7.794 -14.164 -6.732 1.00 0.00 C ATOM 1145 CD GLU A 69 -9.212 -13.766 -7.091 1.00 0.00 C ATOM 1146 OE1 GLU A 69 -9.602 -12.618 -6.787 1.00 0.00 O ATOM 1147 OE2 GLU A 69 -9.933 -14.601 -7.678 1.00 0.00 O ATOM 0 H GLU A 69 -5.565 -13.145 -5.359 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.249 -12.809 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.861 -15.334 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.580 -15.089 -4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.126 -13.324 -6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.474 -14.979 -7.381 1.00 0.00 H new ATOM 1154 N ALA A 70 -5.933 -14.724 -2.842 1.00 0.00 N ATOM 1155 CA ALA A 70 -5.506 -15.303 -1.574 1.00 0.00 C ATOM 1156 C ALA A 70 -6.544 -16.283 -1.040 1.00 0.00 C ATOM 1157 O ALA A 70 -7.687 -15.910 -0.775 1.00 0.00 O ATOM 1158 CB ALA A 70 -5.242 -14.204 -0.555 1.00 0.00 C ATOM 0 H ALA A 70 -5.321 -14.937 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.581 -15.853 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.924 -14.650 0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.458 -13.544 -0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.154 -13.630 -0.395 1.00 0.00 H new ATOM 1164 N ILE A 71 -6.140 -17.539 -0.884 1.00 0.00 N ATOM 1165 CA ILE A 71 -7.036 -18.574 -0.382 1.00 0.00 C ATOM 1166 C ILE A 71 -8.192 -18.813 -1.345 1.00 0.00 C ATOM 1167 O ILE A 71 -8.998 -17.918 -1.598 1.00 0.00 O ATOM 1168 CB ILE A 71 -7.602 -18.203 1.003 1.00 0.00 C ATOM 1169 CG1 ILE A 71 -6.473 -17.794 1.950 1.00 0.00 C ATOM 1170 CG2 ILE A 71 -8.391 -19.368 1.582 1.00 0.00 C ATOM 1171 CD1 ILE A 71 -6.928 -16.895 3.080 1.00 0.00 C ATOM 0 H ILE A 71 -5.197 -17.865 -1.098 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.448 -19.487 -0.292 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.276 -17.354 0.887 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.019 -18.691 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.698 -17.283 1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.784 -19.091 2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.217 -19.615 0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.737 -20.234 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.076 -16.645 3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.355 -15.981 2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.681 -17.411 3.675 1.00 0.00 H new ATOM 1183 N VAL A 72 -8.269 -20.028 -1.881 1.00 0.00 N ATOM 1184 CA VAL A 72 -9.327 -20.385 -2.817 1.00 0.00 C ATOM 1185 C VAL A 72 -10.087 -21.621 -2.343 1.00 0.00 C ATOM 1186 O VAL A 72 -9.561 -22.732 -2.370 1.00 0.00 O ATOM 1187 CB VAL A 72 -8.764 -20.653 -4.225 1.00 0.00 C ATOM 1188 CG1 VAL A 72 -9.895 -20.826 -5.228 1.00 0.00 C ATOM 1189 CG2 VAL A 72 -7.832 -19.528 -4.651 1.00 0.00 C ATOM 0 H VAL A 72 -7.610 -20.781 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 72 -10.009 -19.536 -2.861 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.189 -21.579 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.478 -21.015 -6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.519 -21.669 -4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -10.499 -19.919 -5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.444 -19.735 -5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.380 -18.586 -4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.003 -19.456 -3.947 1.00 0.00 H new ATOM 1199 N GLU A 73 -11.325 -21.415 -1.908 1.00 0.00 N ATOM 1200 CA GLU A 73 -12.158 -22.511 -1.428 1.00 0.00 C ATOM 1201 C GLU A 73 -11.510 -23.205 -0.234 1.00 0.00 C ATOM 1202 O GLU A 73 -10.372 -22.904 0.128 1.00 0.00 O ATOM 1203 CB GLU A 73 -12.402 -23.522 -2.550 1.00 0.00 C ATOM 1204 CG GLU A 73 -13.816 -24.083 -2.567 1.00 0.00 C ATOM 1205 CD GLU A 73 -14.140 -24.808 -3.859 1.00 0.00 C ATOM 1206 OE1 GLU A 73 -14.262 -24.134 -4.903 1.00 0.00 O ATOM 1207 OE2 GLU A 73 -14.273 -26.049 -3.826 1.00 0.00 O ATOM 0 H GLU A 73 -11.774 -20.499 -1.878 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.114 -22.095 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.198 -23.045 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.695 -24.345 -2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.941 -24.768 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.527 -23.270 -2.423 1.00 0.00 H new ATOM 1214 N GLY A 74 -12.240 -24.135 0.373 1.00 0.00 N ATOM 1215 CA GLY A 74 -11.719 -24.856 1.518 1.00 0.00 C ATOM 1216 C GLY A 74 -10.641 -25.851 1.137 1.00 0.00 C ATOM 1217 O GLY A 74 -10.052 -25.699 0.046 1.00 0.00 O ATOM 1218 OXT GLY A 74 -10.385 -26.782 1.929 1.00 0.00 O ATOM 0 H GLY A 74 -13.183 -24.402 0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.314 -24.144 2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.535 -25.382 2.014 1.00 0.00 H new TER 1222 GLY A 74