USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 602 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc=0.000233 USER MOD Set 2.2: A 24 THR OG1 : rot -102:sc= 0 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 98:sc= 0.794 USER MOD Single : A 8 LYS NZ :NH3+ 145:sc= -0.69 (180deg=-2.35!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 163:sc= -0.0571 (180deg=-0.438) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.375 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot -106:sc= 0.193 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -176:sc= -0.282 (180deg=-0.353) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-0.19) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0412 USER MOD Single : A 63 ASN : amide:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.959 X(o=-0.96,f=-1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0.0596 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.549 14.091 9.373 1.00 0.00 N ATOM 2 CA SER A 1 0.438 15.042 8.794 1.00 0.00 C ATOM 3 C SER A 1 1.252 14.380 7.684 1.00 0.00 C ATOM 4 O SER A 1 1.222 14.825 6.535 1.00 0.00 O ATOM 5 CB SER A 1 1.377 15.568 9.886 1.00 0.00 C ATOM 6 OG SER A 1 0.654 16.254 10.894 1.00 0.00 O ATOM 0 H1 SER A 1 -1.089 14.566 10.125 1.00 0.00 H new ATOM 0 H2 SER A 1 -1.201 13.771 8.628 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.049 13.271 9.771 1.00 0.00 H new ATOM 0 HA SER A 1 -0.114 15.878 8.365 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.926 14.737 10.329 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.115 16.237 9.444 1.00 0.00 H new ATOM 0 HG SER A 1 1.275 16.578 11.579 1.00 0.00 H new ATOM 14 N ASP A 2 1.979 13.317 8.033 1.00 0.00 N ATOM 15 CA ASP A 2 2.801 12.594 7.068 1.00 0.00 C ATOM 16 C ASP A 2 2.304 11.164 6.866 1.00 0.00 C ATOM 17 O ASP A 2 1.458 10.674 7.617 1.00 0.00 O ATOM 18 CB ASP A 2 4.262 12.576 7.526 1.00 0.00 C ATOM 19 CG ASP A 2 4.954 13.906 7.301 1.00 0.00 C ATOM 20 OD1 ASP A 2 5.491 14.117 6.192 1.00 0.00 O ATOM 21 OD2 ASP A 2 4.958 14.738 8.232 1.00 0.00 O ATOM 0 H ASP A 2 2.013 12.939 8.980 1.00 0.00 H new ATOM 0 HA ASP A 2 2.726 13.115 6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.305 12.322 8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.799 11.794 6.988 1.00 0.00 H new ATOM 26 N VAL A 3 2.843 10.503 5.840 1.00 0.00 N ATOM 27 CA VAL A 3 2.473 9.126 5.520 1.00 0.00 C ATOM 28 C VAL A 3 2.936 8.161 6.614 1.00 0.00 C ATOM 29 O VAL A 3 2.260 7.173 6.904 1.00 0.00 O ATOM 30 CB VAL A 3 3.062 8.684 4.160 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.582 8.591 4.221 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.452 7.362 3.714 1.00 0.00 C ATOM 0 H VAL A 3 3.541 10.904 5.214 1.00 0.00 H new ATOM 0 HA VAL A 3 1.385 9.096 5.457 1.00 0.00 H new ATOM 0 HB VAL A 3 2.807 9.443 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.967 8.278 3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.996 9.566 4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.872 7.862 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.880 7.069 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.666 6.594 4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.373 7.476 3.610 1.00 0.00 H new ATOM 42 N TRP A 4 4.089 8.459 7.220 1.00 0.00 N ATOM 43 CA TRP A 4 4.635 7.621 8.283 1.00 0.00 C ATOM 44 C TRP A 4 3.917 7.897 9.603 1.00 0.00 C ATOM 45 O TRP A 4 3.643 6.971 10.370 1.00 0.00 O ATOM 46 CB TRP A 4 6.138 7.871 8.441 1.00 0.00 C ATOM 47 CG TRP A 4 6.949 6.612 8.498 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.759 5.549 9.333 1.00 0.00 C ATOM 49 CD2 TRP A 4 8.087 6.290 7.690 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.705 4.583 9.089 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.532 5.016 8.086 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.772 6.955 6.667 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.630 4.394 7.496 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.861 6.338 6.084 1.00 0.00 C ATOM 55 CH2 TRP A 4 10.280 5.068 6.499 1.00 0.00 C ATOM 0 H TRP A 4 4.659 9.273 6.991 1.00 0.00 H new ATOM 0 HA TRP A 4 4.479 6.577 8.011 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.487 8.481 7.608 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.309 8.446 9.351 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.979 5.478 10.077 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.780 3.689 9.575 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.454 7.934 6.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 9.956 3.415 7.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 10.398 6.843 5.295 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.134 4.611 6.022 1.00 0.00 H new ATOM 66 N SER A 5 3.619 9.174 9.865 1.00 0.00 N ATOM 67 CA SER A 5 2.907 9.565 11.081 1.00 0.00 C ATOM 68 C SER A 5 1.539 8.888 11.121 1.00 0.00 C ATOM 69 O SER A 5 1.184 8.245 12.110 1.00 0.00 O ATOM 70 CB SER A 5 2.746 11.086 11.139 1.00 0.00 C ATOM 71 OG SER A 5 4.007 11.735 11.142 1.00 0.00 O ATOM 0 H SER A 5 3.860 9.952 9.251 1.00 0.00 H new ATOM 0 HA SER A 5 3.487 9.246 11.947 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.161 11.425 10.284 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.190 11.362 12.035 1.00 0.00 H new ATOM 0 HG SER A 5 3.875 12.705 11.178 1.00 0.00 H new ATOM 77 N LEU A 6 0.776 9.038 10.037 1.00 0.00 N ATOM 78 CA LEU A 6 -0.548 8.433 9.940 1.00 0.00 C ATOM 79 C LEU A 6 -0.467 7.110 9.184 1.00 0.00 C ATOM 80 O LEU A 6 -0.619 7.068 7.961 1.00 0.00 O ATOM 81 CB LEU A 6 -1.524 9.387 9.243 1.00 0.00 C ATOM 82 CG LEU A 6 -1.811 10.688 9.996 1.00 0.00 C ATOM 83 CD1 LEU A 6 -2.733 11.582 9.180 1.00 0.00 C ATOM 84 CD2 LEU A 6 -2.421 10.395 11.359 1.00 0.00 C ATOM 0 H LEU A 6 1.055 9.574 9.215 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.917 8.239 10.947 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.125 9.635 8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.466 8.864 9.082 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.868 11.212 10.149 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.927 12.503 9.730 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.259 11.821 8.228 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.674 11.064 8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.618 11.333 11.879 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.355 9.849 11.230 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.727 9.793 11.946 1.00 0.00 H new ATOM 96 N SER A 7 -0.213 6.030 9.924 1.00 0.00 N ATOM 97 CA SER A 7 -0.095 4.700 9.330 1.00 0.00 C ATOM 98 C SER A 7 -1.121 3.711 9.897 1.00 0.00 C ATOM 99 O SER A 7 -1.037 2.510 9.639 1.00 0.00 O ATOM 100 CB SER A 7 1.327 4.164 9.530 1.00 0.00 C ATOM 101 OG SER A 7 2.276 4.957 8.837 1.00 0.00 O ATOM 0 H SER A 7 -0.085 6.051 10.936 1.00 0.00 H new ATOM 0 HA SER A 7 -0.304 4.799 8.265 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.567 4.151 10.593 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.383 3.134 9.178 1.00 0.00 H new ATOM 0 HG SER A 7 2.686 5.594 9.458 1.00 0.00 H new ATOM 107 N LYS A 8 -2.091 4.215 10.668 1.00 0.00 N ATOM 108 CA LYS A 8 -3.127 3.367 11.255 1.00 0.00 C ATOM 109 C LYS A 8 -4.457 3.506 10.502 1.00 0.00 C ATOM 110 O LYS A 8 -5.530 3.344 11.089 1.00 0.00 O ATOM 111 CB LYS A 8 -3.315 3.727 12.731 1.00 0.00 C ATOM 112 CG LYS A 8 -2.044 3.603 13.562 1.00 0.00 C ATOM 113 CD LYS A 8 -1.491 2.183 13.557 1.00 0.00 C ATOM 114 CE LYS A 8 -2.161 1.306 14.608 1.00 0.00 C ATOM 115 NZ LYS A 8 -3.561 0.946 14.240 1.00 0.00 N ATOM 0 H LYS A 8 -2.178 5.205 10.898 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.805 2.329 11.173 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.685 4.750 12.801 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.081 3.080 13.158 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.289 4.287 13.173 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.251 3.907 14.588 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.635 1.741 12.571 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.417 2.212 13.740 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.578 0.395 14.742 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.163 1.828 15.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.770 -0.017 14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.220 1.616 14.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.670 0.988 13.207 1.00 0.00 H new ATOM 129 N THR A 9 -4.379 3.788 9.199 1.00 0.00 N ATOM 130 CA THR A 9 -5.571 3.947 8.368 1.00 0.00 C ATOM 131 C THR A 9 -5.612 2.890 7.261 1.00 0.00 C ATOM 132 O THR A 9 -4.844 2.948 6.300 1.00 0.00 O ATOM 133 CB THR A 9 -5.643 5.362 7.744 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.690 5.422 6.766 1.00 0.00 O ATOM 135 CG2 THR A 9 -4.318 5.755 7.101 1.00 0.00 C ATOM 0 H THR A 9 -3.499 3.911 8.697 1.00 0.00 H new ATOM 0 HA THR A 9 -6.436 3.813 9.018 1.00 0.00 H new ATOM 0 HB THR A 9 -5.856 6.067 8.548 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.726 6.322 6.380 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.403 6.754 6.673 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.532 5.750 7.856 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.070 5.043 6.314 1.00 0.00 H new ATOM 143 N SER A 10 -6.517 1.922 7.411 1.00 0.00 N ATOM 144 CA SER A 10 -6.660 0.843 6.434 1.00 0.00 C ATOM 145 C SER A 10 -7.650 1.214 5.329 1.00 0.00 C ATOM 146 O SER A 10 -8.383 2.200 5.441 1.00 0.00 O ATOM 147 CB SER A 10 -7.114 -0.448 7.126 1.00 0.00 C ATOM 148 OG SER A 10 -8.354 -0.268 7.791 1.00 0.00 O ATOM 0 H SER A 10 -7.161 1.863 8.199 1.00 0.00 H new ATOM 0 HA SER A 10 -5.684 0.683 5.976 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.207 -1.245 6.388 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.357 -0.764 7.843 1.00 0.00 H new ATOM 0 HG SER A 10 -8.619 -1.108 8.221 1.00 0.00 H new ATOM 154 N MET A 11 -7.658 0.415 4.264 1.00 0.00 N ATOM 155 CA MET A 11 -8.555 0.637 3.134 1.00 0.00 C ATOM 156 C MET A 11 -9.154 -0.685 2.663 1.00 0.00 C ATOM 157 O MET A 11 -8.450 -1.692 2.560 1.00 0.00 O ATOM 158 CB MET A 11 -7.809 1.317 1.983 1.00 0.00 C ATOM 159 CG MET A 11 -8.690 1.632 0.782 1.00 0.00 C ATOM 160 SD MET A 11 -10.021 2.786 1.172 1.00 0.00 S ATOM 161 CE MET A 11 -9.089 4.263 1.573 1.00 0.00 C ATOM 0 H MET A 11 -7.049 -0.397 4.161 1.00 0.00 H new ATOM 0 HA MET A 11 -9.363 1.291 3.460 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.363 2.242 2.348 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.990 0.673 1.662 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.074 2.051 -0.014 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.119 0.706 0.400 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.749 5.130 1.540 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.667 4.166 2.573 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.284 4.392 0.850 1.00 0.00 H new ATOM 171 N THR A 12 -10.453 -0.676 2.376 1.00 0.00 N ATOM 172 CA THR A 12 -11.147 -1.879 1.929 1.00 0.00 C ATOM 173 C THR A 12 -11.096 -2.027 0.409 1.00 0.00 C ATOM 174 O THR A 12 -11.532 -1.141 -0.330 1.00 0.00 O ATOM 175 CB THR A 12 -12.620 -1.885 2.391 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.688 -1.749 3.815 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.318 -3.173 1.973 1.00 0.00 C ATOM 0 H THR A 12 -11.046 0.151 2.445 1.00 0.00 H new ATOM 0 HA THR A 12 -10.628 -2.723 2.383 1.00 0.00 H new ATOM 0 HB THR A 12 -13.125 -1.044 1.917 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.626 -1.752 4.100 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.354 -3.151 2.311 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.292 -3.265 0.887 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.808 -4.025 2.422 1.00 0.00 H new ATOM 185 N PHE A 13 -10.553 -3.156 -0.042 1.00 0.00 N ATOM 186 CA PHE A 13 -10.455 -3.463 -1.466 1.00 0.00 C ATOM 187 C PHE A 13 -11.558 -4.438 -1.861 1.00 0.00 C ATOM 188 O PHE A 13 -11.966 -5.283 -1.063 1.00 0.00 O ATOM 189 CB PHE A 13 -9.083 -4.060 -1.795 1.00 0.00 C ATOM 190 CG PHE A 13 -7.995 -3.036 -1.952 1.00 0.00 C ATOM 191 CD1 PHE A 13 -8.199 -1.893 -2.710 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.765 -3.220 -1.346 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.196 -0.954 -2.857 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.758 -2.287 -1.490 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.974 -1.151 -2.247 1.00 0.00 C ATOM 0 H PHE A 13 -10.171 -3.880 0.566 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.573 -2.539 -2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.802 -4.756 -1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.160 -4.638 -2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.153 -1.735 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.590 -4.105 -0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.368 -0.067 -3.449 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.803 -2.444 -1.012 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.188 -0.419 -2.361 1.00 0.00 H new ATOM 205 N GLN A 14 -12.034 -4.317 -3.099 1.00 0.00 N ATOM 206 CA GLN A 14 -13.089 -5.189 -3.601 1.00 0.00 C ATOM 207 C GLN A 14 -12.588 -6.029 -4.773 1.00 0.00 C ATOM 208 O GLN A 14 -12.061 -5.495 -5.749 1.00 0.00 O ATOM 209 CB GLN A 14 -14.305 -4.362 -4.026 1.00 0.00 C ATOM 210 CG GLN A 14 -15.412 -5.182 -4.675 1.00 0.00 C ATOM 211 CD GLN A 14 -16.580 -4.328 -5.130 1.00 0.00 C ATOM 212 OE1 GLN A 14 -16.607 -3.848 -6.264 1.00 0.00 O ATOM 213 NE2 GLN A 14 -17.554 -4.131 -4.247 1.00 0.00 N ATOM 0 H GLN A 14 -11.705 -3.624 -3.771 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.384 -5.863 -2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.709 -3.852 -3.151 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -13.981 -3.590 -4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.006 -5.721 -5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.768 -5.930 -3.967 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -17.492 -4.547 -3.318 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -18.363 -3.564 -4.499 1.00 0.00 H new ATOM 222 N PRO A 15 -12.749 -7.363 -4.687 1.00 0.00 N ATOM 223 CA PRO A 15 -12.318 -8.281 -5.747 1.00 0.00 C ATOM 224 C PRO A 15 -13.152 -8.126 -7.015 1.00 0.00 C ATOM 225 O PRO A 15 -14.353 -7.851 -6.948 1.00 0.00 O ATOM 226 CB PRO A 15 -12.520 -9.667 -5.129 1.00 0.00 C ATOM 227 CG PRO A 15 -13.545 -9.475 -4.067 1.00 0.00 C ATOM 228 CD PRO A 15 -13.362 -8.077 -3.551 1.00 0.00 C ATOM 0 HA PRO A 15 -11.291 -8.093 -6.059 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.857 -10.386 -5.876 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.589 -10.052 -4.713 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -14.550 -9.613 -4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.417 -10.204 -3.267 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.313 -7.629 -3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.719 -8.056 -2.671 1.00 0.00 H new ATOM 236 N LYS A 16 -12.513 -8.303 -8.173 1.00 0.00 N ATOM 237 CA LYS A 16 -13.205 -8.188 -9.454 1.00 0.00 C ATOM 238 C LYS A 16 -14.103 -9.401 -9.691 1.00 0.00 C ATOM 239 O LYS A 16 -15.219 -9.271 -10.196 1.00 0.00 O ATOM 240 CB LYS A 16 -12.195 -8.050 -10.599 1.00 0.00 C ATOM 241 CG LYS A 16 -11.431 -6.734 -10.585 1.00 0.00 C ATOM 242 CD LYS A 16 -12.365 -5.541 -10.707 1.00 0.00 C ATOM 243 CE LYS A 16 -11.600 -4.228 -10.679 1.00 0.00 C ATOM 244 NZ LYS A 16 -12.513 -3.050 -10.655 1.00 0.00 N ATOM 0 H LYS A 16 -11.520 -8.526 -8.248 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.828 -7.294 -9.426 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.483 -8.874 -10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.721 -8.145 -11.549 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.859 -6.655 -9.661 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.714 -6.721 -11.406 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.930 -5.614 -11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.088 -5.559 -9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.954 -4.204 -9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.952 -4.167 -11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.951 -2.175 -10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.113 -3.058 -11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.114 -3.094 -9.807 1.00 0.00 H new ATOM 258 N LYS A 17 -13.599 -10.582 -9.321 1.00 0.00 N ATOM 259 CA LYS A 17 -14.340 -11.832 -9.485 1.00 0.00 C ATOM 260 C LYS A 17 -14.778 -12.394 -8.129 1.00 0.00 C ATOM 261 O LYS A 17 -14.422 -11.857 -7.078 1.00 0.00 O ATOM 262 CB LYS A 17 -13.481 -12.857 -10.237 1.00 0.00 C ATOM 263 CG LYS A 17 -12.150 -13.159 -9.564 1.00 0.00 C ATOM 264 CD LYS A 17 -11.200 -13.893 -10.498 1.00 0.00 C ATOM 265 CE LYS A 17 -10.766 -13.014 -11.663 1.00 0.00 C ATOM 266 NZ LYS A 17 -9.724 -13.671 -12.499 1.00 0.00 N ATOM 0 H LYS A 17 -12.675 -10.697 -8.904 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.237 -11.625 -10.068 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.045 -13.785 -10.338 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.292 -12.488 -11.245 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.689 -12.228 -9.235 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.322 -13.762 -8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.322 -14.219 -9.941 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.686 -14.790 -10.880 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.632 -12.778 -12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.381 -12.069 -11.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.457 -13.039 -13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.887 -13.873 -11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.099 -14.561 -12.886 1.00 0.00 H new ATOM 280 N ALA A 18 -15.552 -13.480 -8.165 1.00 0.00 N ATOM 281 CA ALA A 18 -16.052 -14.116 -6.946 1.00 0.00 C ATOM 282 C ALA A 18 -14.948 -14.865 -6.198 1.00 0.00 C ATOM 283 O ALA A 18 -14.903 -14.841 -4.967 1.00 0.00 O ATOM 284 CB ALA A 18 -17.199 -15.060 -7.277 1.00 0.00 C ATOM 0 H ALA A 18 -15.847 -13.938 -9.027 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.415 -13.326 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.562 -15.527 -6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -18.009 -14.499 -7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.849 -15.831 -7.963 1.00 0.00 H new ATOM 290 N SER A 19 -14.062 -15.530 -6.946 1.00 0.00 N ATOM 291 CA SER A 19 -12.959 -16.289 -6.348 1.00 0.00 C ATOM 292 C SER A 19 -12.099 -15.411 -5.435 1.00 0.00 C ATOM 293 O SER A 19 -11.654 -15.859 -4.377 1.00 0.00 O ATOM 294 CB SER A 19 -12.088 -16.921 -7.440 1.00 0.00 C ATOM 295 OG SER A 19 -11.461 -15.931 -8.236 1.00 0.00 O ATOM 0 H SER A 19 -14.087 -15.558 -7.965 1.00 0.00 H new ATOM 0 HA SER A 19 -13.398 -17.079 -5.739 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.330 -17.556 -6.981 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.702 -17.563 -8.071 1.00 0.00 H new ATOM 0 HG SER A 19 -10.911 -16.363 -8.922 1.00 0.00 H new ATOM 301 N LEU A 20 -11.870 -14.162 -5.849 1.00 0.00 N ATOM 302 CA LEU A 20 -11.064 -13.227 -5.068 1.00 0.00 C ATOM 303 C LEU A 20 -11.824 -12.732 -3.837 1.00 0.00 C ATOM 304 O LEU A 20 -13.053 -12.643 -3.845 1.00 0.00 O ATOM 305 CB LEU A 20 -10.643 -12.037 -5.933 1.00 0.00 C ATOM 306 CG LEU A 20 -9.672 -12.359 -7.072 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.391 -11.111 -7.895 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.376 -12.943 -6.525 1.00 0.00 C ATOM 0 H LEU A 20 -12.233 -13.777 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.174 -13.758 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.539 -11.586 -6.360 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.184 -11.287 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.134 -13.104 -7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.699 -11.355 -8.701 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.323 -10.736 -8.318 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.949 -10.346 -7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.700 -13.165 -7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.907 -12.223 -5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.593 -13.860 -5.977 1.00 0.00 H new ATOM 320 N GLN A 21 -11.073 -12.410 -2.784 1.00 0.00 N ATOM 321 CA GLN A 21 -11.654 -11.925 -1.532 1.00 0.00 C ATOM 322 C GLN A 21 -11.148 -10.522 -1.189 1.00 0.00 C ATOM 323 O GLN A 21 -9.978 -10.206 -1.410 1.00 0.00 O ATOM 324 CB GLN A 21 -11.330 -12.894 -0.391 1.00 0.00 C ATOM 325 CG GLN A 21 -11.966 -14.266 -0.558 1.00 0.00 C ATOM 326 CD GLN A 21 -11.596 -15.224 0.559 1.00 0.00 C ATOM 327 OE1 GLN A 21 -12.282 -15.302 1.578 1.00 0.00 O ATOM 328 NE2 GLN A 21 -10.503 -15.960 0.374 1.00 0.00 N ATOM 0 H GLN A 21 -10.055 -12.477 -2.774 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.735 -11.870 -1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.249 -13.010 -0.320 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.666 -12.459 0.550 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -13.050 -14.157 -0.593 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.657 -14.691 -1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.963 -15.864 -0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.205 -16.620 1.092 1.00 0.00 H new ATOM 337 N PRO A 22 -12.032 -9.665 -0.634 1.00 0.00 N ATOM 338 CA PRO A 22 -11.685 -8.283 -0.256 1.00 0.00 C ATOM 339 C PRO A 22 -10.460 -8.199 0.658 1.00 0.00 C ATOM 340 O PRO A 22 -10.154 -9.140 1.392 1.00 0.00 O ATOM 341 CB PRO A 22 -12.936 -7.795 0.483 1.00 0.00 C ATOM 342 CG PRO A 22 -14.043 -8.625 -0.067 1.00 0.00 C ATOM 343 CD PRO A 22 -13.444 -9.975 -0.337 1.00 0.00 C ATOM 0 HA PRO A 22 -11.419 -7.685 -1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.838 -7.928 1.560 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.111 -6.734 0.308 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.868 -8.697 0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.445 -8.186 -0.980 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.538 -10.637 0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.932 -10.472 -1.176 1.00 0.00 H new ATOM 351 N LEU A 23 -9.768 -7.057 0.605 1.00 0.00 N ATOM 352 CA LEU A 23 -8.572 -6.837 1.418 1.00 0.00 C ATOM 353 C LEU A 23 -8.695 -5.548 2.225 1.00 0.00 C ATOM 354 O LEU A 23 -9.007 -4.492 1.677 1.00 0.00 O ATOM 355 CB LEU A 23 -7.333 -6.777 0.521 1.00 0.00 C ATOM 356 CG LEU A 23 -5.986 -6.915 1.241 1.00 0.00 C ATOM 357 CD1 LEU A 23 -4.885 -7.249 0.246 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.644 -5.640 1.999 1.00 0.00 C ATOM 0 H LEU A 23 -10.018 -6.270 0.006 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.471 -7.670 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.408 -7.568 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.342 -5.829 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.067 -7.730 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.935 -7.344 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.119 -8.189 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.811 -6.453 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.684 -5.762 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.584 -4.806 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.418 -5.438 2.739 1.00 0.00 H new ATOM 370 N THR A 24 -8.436 -5.638 3.528 1.00 0.00 N ATOM 371 CA THR A 24 -8.520 -4.472 4.404 1.00 0.00 C ATOM 372 C THR A 24 -7.308 -4.378 5.330 1.00 0.00 C ATOM 373 O THR A 24 -7.298 -4.961 6.417 1.00 0.00 O ATOM 374 CB THR A 24 -9.812 -4.494 5.249 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.959 -4.573 4.393 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.914 -3.249 6.121 1.00 0.00 C ATOM 0 H THR A 24 -8.167 -6.502 3.999 1.00 0.00 H new ATOM 0 HA THR A 24 -8.536 -3.595 3.757 1.00 0.00 H new ATOM 0 HB THR A 24 -9.778 -5.371 5.895 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.377 -3.689 4.324 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.833 -3.289 6.706 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.057 -3.204 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.925 -2.362 5.488 1.00 0.00 H new ATOM 384 N ILE A 25 -6.280 -3.652 4.889 1.00 0.00 N ATOM 385 CA ILE A 25 -5.060 -3.495 5.677 1.00 0.00 C ATOM 386 C ILE A 25 -4.546 -2.053 5.637 1.00 0.00 C ATOM 387 O ILE A 25 -4.919 -1.276 4.755 1.00 0.00 O ATOM 388 CB ILE A 25 -3.960 -4.461 5.185 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.902 -4.669 6.271 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.321 -3.946 3.902 1.00 0.00 C ATOM 391 CD1 ILE A 25 -2.145 -5.970 6.131 1.00 0.00 C ATOM 0 H ILE A 25 -6.269 -3.165 3.993 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.309 -3.739 6.710 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.424 -5.424 4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.194 -3.841 6.242 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.385 -4.641 7.248 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.549 -4.643 3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.082 -3.857 3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.874 -2.969 4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.412 -6.052 6.933 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.843 -6.805 6.190 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.634 -5.992 5.168 1.00 0.00 H new ATOM 403 N SER A 26 -3.685 -1.707 6.597 1.00 0.00 N ATOM 404 CA SER A 26 -3.130 -0.357 6.686 1.00 0.00 C ATOM 405 C SER A 26 -1.600 -0.353 6.574 1.00 0.00 C ATOM 406 O SER A 26 -0.962 -1.406 6.525 1.00 0.00 O ATOM 407 CB SER A 26 -3.558 0.280 8.011 1.00 0.00 C ATOM 408 OG SER A 26 -3.087 1.610 8.119 1.00 0.00 O ATOM 0 H SER A 26 -3.358 -2.344 7.323 1.00 0.00 H new ATOM 0 HA SER A 26 -3.518 0.221 5.847 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.645 0.270 8.087 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.175 -0.312 8.842 1.00 0.00 H new ATOM 0 HG SER A 26 -2.344 1.643 8.757 1.00 0.00 H new ATOM 414 N LEU A 27 -1.032 0.856 6.534 1.00 0.00 N ATOM 415 CA LEU A 27 0.417 1.061 6.436 1.00 0.00 C ATOM 416 C LEU A 27 1.172 0.363 7.570 1.00 0.00 C ATOM 417 O LEU A 27 1.935 -0.574 7.332 1.00 0.00 O ATOM 418 CB LEU A 27 0.735 2.563 6.471 1.00 0.00 C ATOM 419 CG LEU A 27 0.001 3.419 5.429 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.519 4.848 5.453 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.148 2.820 4.037 1.00 0.00 C ATOM 0 H LEU A 27 -1.566 1.724 6.569 1.00 0.00 H new ATOM 0 HA LEU A 27 0.744 0.626 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.494 2.944 7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.808 2.693 6.331 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.059 3.432 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.012 5.440 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.356 5.277 6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.585 4.852 5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.380 3.443 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.204 2.772 3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.275 1.815 4.027 1.00 0.00 H new ATOM 433 N ASP A 28 0.940 0.818 8.802 1.00 0.00 N ATOM 434 CA ASP A 28 1.611 0.259 9.977 1.00 0.00 C ATOM 435 C ASP A 28 1.291 -1.224 10.147 1.00 0.00 C ATOM 436 O ASP A 28 2.132 -1.999 10.607 1.00 0.00 O ATOM 437 CB ASP A 28 1.198 1.029 11.237 1.00 0.00 C ATOM 438 CG ASP A 28 2.003 0.626 12.458 1.00 0.00 C ATOM 439 OD1 ASP A 28 3.111 1.169 12.645 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.523 -0.233 13.229 1.00 0.00 O ATOM 0 H ASP A 28 0.290 1.575 9.013 1.00 0.00 H new ATOM 0 HA ASP A 28 2.686 0.359 9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.321 2.098 11.062 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.139 0.858 11.432 1.00 0.00 H new ATOM 445 N GLU A 29 0.074 -1.612 9.766 1.00 0.00 N ATOM 446 CA GLU A 29 -0.365 -2.998 9.880 1.00 0.00 C ATOM 447 C GLU A 29 0.154 -3.874 8.730 1.00 0.00 C ATOM 448 O GLU A 29 -0.132 -5.072 8.696 1.00 0.00 O ATOM 449 CB GLU A 29 -1.895 -3.060 9.928 1.00 0.00 C ATOM 450 CG GLU A 29 -2.491 -2.661 11.273 1.00 0.00 C ATOM 451 CD GLU A 29 -2.155 -1.234 11.675 1.00 0.00 C ATOM 452 OE1 GLU A 29 -2.809 -0.302 11.163 1.00 0.00 O ATOM 453 OE2 GLU A 29 -1.238 -1.051 12.500 1.00 0.00 O ATOM 0 H GLU A 29 -0.626 -0.982 9.375 1.00 0.00 H new ATOM 0 HA GLU A 29 0.054 -3.393 10.806 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.299 -2.406 9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.215 -4.074 9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.574 -2.775 11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.128 -3.344 12.041 1.00 0.00 H new ATOM 460 N LEU A 30 0.916 -3.293 7.791 1.00 0.00 N ATOM 461 CA LEU A 30 1.438 -4.065 6.663 1.00 0.00 C ATOM 462 C LEU A 30 2.943 -3.845 6.421 1.00 0.00 C ATOM 463 O LEU A 30 3.482 -4.304 5.414 1.00 0.00 O ATOM 464 CB LEU A 30 0.637 -3.740 5.396 1.00 0.00 C ATOM 465 CG LEU A 30 1.033 -4.515 4.134 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.997 -6.015 4.385 1.00 0.00 C ATOM 467 CD2 LEU A 30 0.119 -4.145 2.977 1.00 0.00 C ATOM 0 H LEU A 30 1.179 -2.307 7.792 1.00 0.00 H new ATOM 0 HA LEU A 30 1.321 -5.119 6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.417 -3.928 5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.737 -2.674 5.190 1.00 0.00 H new ATOM 0 HG LEU A 30 2.055 -4.241 3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.282 -6.543 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.694 -6.267 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.011 -6.311 4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.413 -4.703 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.911 -4.389 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.199 -3.076 2.777 1.00 0.00 H new ATOM 479 N PHE A 31 3.629 -3.170 7.353 1.00 0.00 N ATOM 480 CA PHE A 31 5.069 -2.943 7.188 1.00 0.00 C ATOM 481 C PHE A 31 5.827 -3.226 8.485 1.00 0.00 C ATOM 482 O PHE A 31 5.351 -2.903 9.575 1.00 0.00 O ATOM 483 CB PHE A 31 5.367 -1.522 6.690 1.00 0.00 C ATOM 484 CG PHE A 31 4.673 -1.163 5.403 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.838 -1.941 4.268 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.855 -0.049 5.331 1.00 0.00 C ATOM 487 CE1 PHE A 31 4.197 -1.612 3.089 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.214 0.284 4.154 1.00 0.00 C ATOM 489 CZ PHE A 31 3.384 -0.500 3.033 1.00 0.00 C ATOM 0 H PHE A 31 3.224 -2.782 8.205 1.00 0.00 H new ATOM 0 HA PHE A 31 5.417 -3.643 6.428 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.072 -0.809 7.460 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.443 -1.415 6.552 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.474 -2.813 4.305 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.716 0.568 6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.333 -2.226 2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.580 1.158 4.112 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.881 -0.244 2.112 1.00 0.00 H new ATOM 499 N SER A 32 7.011 -3.829 8.356 1.00 0.00 N ATOM 500 CA SER A 32 7.837 -4.167 9.517 1.00 0.00 C ATOM 501 C SER A 32 9.298 -3.754 9.301 1.00 0.00 C ATOM 502 O SER A 32 10.215 -4.416 9.794 1.00 0.00 O ATOM 503 CB SER A 32 7.768 -5.679 9.759 1.00 0.00 C ATOM 504 OG SER A 32 6.433 -6.102 9.979 1.00 0.00 O ATOM 0 H SER A 32 7.419 -4.093 7.459 1.00 0.00 H new ATOM 0 HA SER A 32 7.454 -3.625 10.382 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.183 -6.207 8.900 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.382 -5.941 10.621 1.00 0.00 H new ATOM 0 HG SER A 32 6.417 -7.070 10.129 1.00 0.00 H new ATOM 510 N SER A 33 9.513 -2.650 8.579 1.00 0.00 N ATOM 511 CA SER A 33 10.866 -2.161 8.310 1.00 0.00 C ATOM 512 C SER A 33 10.849 -0.728 7.779 1.00 0.00 C ATOM 513 O SER A 33 9.991 -0.367 6.970 1.00 0.00 O ATOM 514 CB SER A 33 11.578 -3.079 7.311 1.00 0.00 C ATOM 515 OG SER A 33 12.854 -2.568 6.963 1.00 0.00 O ATOM 0 H SER A 33 8.770 -2.081 8.173 1.00 0.00 H new ATOM 0 HA SER A 33 11.411 -2.166 9.254 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.687 -4.074 7.742 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.969 -3.185 6.413 1.00 0.00 H new ATOM 0 HG SER A 33 13.287 -3.174 6.326 1.00 0.00 H new ATOM 521 N ARG A 34 11.805 0.084 8.237 1.00 0.00 N ATOM 522 CA ARG A 34 11.908 1.476 7.798 1.00 0.00 C ATOM 523 C ARG A 34 12.251 1.549 6.309 1.00 0.00 C ATOM 524 O ARG A 34 11.650 2.326 5.566 1.00 0.00 O ATOM 525 CB ARG A 34 12.956 2.232 8.628 1.00 0.00 C ATOM 526 CG ARG A 34 14.363 1.659 8.524 1.00 0.00 C ATOM 527 CD ARG A 34 15.335 2.382 9.444 1.00 0.00 C ATOM 528 NE ARG A 34 15.038 2.144 10.859 1.00 0.00 N ATOM 529 CZ ARG A 34 15.936 1.735 11.763 1.00 0.00 C ATOM 530 NH1 ARG A 34 17.203 1.507 11.416 1.00 0.00 N ATOM 531 NH2 ARG A 34 15.565 1.552 13.025 1.00 0.00 N ATOM 0 H ARG A 34 12.517 -0.199 8.910 1.00 0.00 H new ATOM 0 HA ARG A 34 10.940 1.952 7.952 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.975 3.274 8.308 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.649 2.226 9.674 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.344 0.599 8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.712 1.735 7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.351 2.053 9.227 1.00 0.00 H new ATOM 0 HD3 ARG A 34 15.297 3.452 9.241 1.00 0.00 H new ATOM 0 HE ARG A 34 14.081 2.301 11.177 1.00 0.00 H new ATOM 0 HH11 ARG A 34 17.500 1.644 10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.876 1.196 12.117 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.598 1.723 13.302 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.247 1.240 13.717 1.00 0.00 H new ATOM 545 N GLY A 35 13.219 0.731 5.881 1.00 0.00 N ATOM 546 CA GLY A 35 13.613 0.706 4.482 1.00 0.00 C ATOM 547 C GLY A 35 12.511 0.159 3.593 1.00 0.00 C ATOM 548 O GLY A 35 12.350 0.601 2.455 1.00 0.00 O ATOM 0 H GLY A 35 13.735 0.087 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.872 1.715 4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.508 0.095 4.368 1.00 0.00 H new ATOM 552 N GLU A 36 11.753 -0.809 4.116 1.00 0.00 N ATOM 553 CA GLU A 36 10.639 -1.399 3.379 1.00 0.00 C ATOM 554 C GLU A 36 9.632 -0.313 3.002 1.00 0.00 C ATOM 555 O GLU A 36 9.116 -0.294 1.885 1.00 0.00 O ATOM 556 CB GLU A 36 9.958 -2.484 4.222 1.00 0.00 C ATOM 557 CG GLU A 36 8.713 -3.078 3.580 1.00 0.00 C ATOM 558 CD GLU A 36 9.017 -3.851 2.309 1.00 0.00 C ATOM 559 OE1 GLU A 36 9.050 -3.229 1.227 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.218 -5.081 2.397 1.00 0.00 O ATOM 0 H GLU A 36 11.893 -1.199 5.048 1.00 0.00 H new ATOM 0 HA GLU A 36 11.023 -1.858 2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.673 -3.284 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.688 -2.061 5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.223 -3.740 4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.010 -2.277 3.353 1.00 0.00 H new ATOM 567 N PHE A 37 9.368 0.591 3.951 1.00 0.00 N ATOM 568 CA PHE A 37 8.444 1.700 3.734 1.00 0.00 C ATOM 569 C PHE A 37 8.934 2.580 2.581 1.00 0.00 C ATOM 570 O PHE A 37 8.145 3.024 1.748 1.00 0.00 O ATOM 571 CB PHE A 37 8.310 2.529 5.015 1.00 0.00 C ATOM 572 CG PHE A 37 7.089 3.403 5.053 1.00 0.00 C ATOM 573 CD1 PHE A 37 5.879 2.906 5.512 1.00 0.00 C ATOM 574 CD2 PHE A 37 7.152 4.722 4.636 1.00 0.00 C ATOM 575 CE1 PHE A 37 4.755 3.708 5.553 1.00 0.00 C ATOM 576 CE2 PHE A 37 6.031 5.529 4.675 1.00 0.00 C ATOM 577 CZ PHE A 37 4.832 5.022 5.134 1.00 0.00 C ATOM 0 H PHE A 37 9.786 0.572 4.881 1.00 0.00 H new ATOM 0 HA PHE A 37 7.466 1.297 3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.288 1.855 5.871 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.196 3.155 5.125 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.814 1.880 5.841 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.088 5.124 4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.818 3.308 5.912 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.093 6.556 4.346 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.955 5.652 5.165 1.00 0.00 H new ATOM 587 N ILE A 38 10.242 2.851 2.560 1.00 0.00 N ATOM 588 CA ILE A 38 10.850 3.654 1.501 1.00 0.00 C ATOM 589 C ILE A 38 10.559 3.070 0.116 1.00 0.00 C ATOM 590 O ILE A 38 10.070 3.778 -0.766 1.00 0.00 O ATOM 591 CB ILE A 38 12.380 3.772 1.695 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.702 4.439 3.037 1.00 0.00 C ATOM 593 CG2 ILE A 38 13.012 4.551 0.549 1.00 0.00 C ATOM 594 CD1 ILE A 38 12.044 5.791 3.223 1.00 0.00 C ATOM 0 H ILE A 38 10.900 2.524 3.267 1.00 0.00 H new ATOM 0 HA ILE A 38 10.405 4.647 1.564 1.00 0.00 H new ATOM 0 HB ILE A 38 12.801 2.766 1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.387 3.778 3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.782 4.556 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.088 4.621 0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.816 4.037 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.585 5.553 0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.319 6.199 4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.377 6.469 2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.961 5.679 3.170 1.00 0.00 H new ATOM 606 N SER A 39 10.862 1.778 -0.072 1.00 0.00 N ATOM 607 CA SER A 39 10.635 1.123 -1.362 1.00 0.00 C ATOM 608 C SER A 39 9.157 1.195 -1.740 1.00 0.00 C ATOM 609 O SER A 39 8.804 1.842 -2.727 1.00 0.00 O ATOM 610 CB SER A 39 11.109 -0.332 -1.324 1.00 0.00 C ATOM 611 OG SER A 39 10.974 -0.948 -2.594 1.00 0.00 O ATOM 0 H SER A 39 11.261 1.173 0.646 1.00 0.00 H new ATOM 0 HA SER A 39 11.215 1.649 -2.121 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.151 -0.370 -1.007 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.531 -0.886 -0.585 1.00 0.00 H new ATOM 0 HG SER A 39 11.285 -1.876 -2.542 1.00 0.00 H new ATOM 617 N VAL A 40 8.307 0.502 -0.970 1.00 0.00 N ATOM 618 CA VAL A 40 6.863 0.452 -1.227 1.00 0.00 C ATOM 619 C VAL A 40 6.293 1.735 -1.834 1.00 0.00 C ATOM 620 O VAL A 40 5.430 1.662 -2.710 1.00 0.00 O ATOM 621 CB VAL A 40 6.053 0.078 0.036 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.380 -1.341 0.479 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.303 1.063 1.165 1.00 0.00 C ATOM 0 H VAL A 40 8.600 -0.037 -0.155 1.00 0.00 H new ATOM 0 HA VAL A 40 6.754 -0.337 -1.971 1.00 0.00 H new ATOM 0 HB VAL A 40 4.994 0.127 -0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.801 -1.587 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.130 -2.038 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.443 -1.415 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.719 0.772 2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.363 1.062 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.007 2.063 0.848 1.00 0.00 H new ATOM 633 N GLY A 41 6.758 2.904 -1.384 1.00 0.00 N ATOM 634 CA GLY A 41 6.257 4.157 -1.928 1.00 0.00 C ATOM 635 C GLY A 41 5.879 5.149 -0.841 1.00 0.00 C ATOM 636 O GLY A 41 4.854 5.822 -0.943 1.00 0.00 O ATOM 0 H GLY A 41 7.467 3.003 -0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.016 4.600 -2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.386 3.957 -2.552 1.00 0.00 H new ATOM 640 N GLY A 42 6.718 5.253 0.196 1.00 0.00 N ATOM 641 CA GLY A 42 6.436 6.160 1.296 1.00 0.00 C ATOM 642 C GLY A 42 7.550 7.154 1.553 1.00 0.00 C ATOM 643 O GLY A 42 8.476 6.873 2.319 1.00 0.00 O ATOM 0 H GLY A 42 7.585 4.724 0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.515 6.703 1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.261 5.579 2.201 1.00 0.00 H new ATOM 647 N ASP A 43 7.459 8.317 0.913 1.00 0.00 N ATOM 648 CA ASP A 43 8.429 9.390 1.128 1.00 0.00 C ATOM 649 C ASP A 43 8.005 10.173 2.371 1.00 0.00 C ATOM 650 O ASP A 43 8.574 9.981 3.447 1.00 0.00 O ATOM 651 CB ASP A 43 8.509 10.308 -0.097 1.00 0.00 C ATOM 652 CG ASP A 43 9.066 9.600 -1.318 1.00 0.00 C ATOM 653 OD1 ASP A 43 8.268 9.004 -2.073 1.00 0.00 O ATOM 654 OD2 ASP A 43 10.298 9.639 -1.519 1.00 0.00 O ATOM 0 H ASP A 43 6.725 8.541 0.242 1.00 0.00 H new ATOM 0 HA ASP A 43 9.423 8.968 1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.515 10.691 -0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.136 11.168 0.138 1.00 0.00 H new ATOM 659 N GLY A 44 7.011 11.052 2.228 1.00 0.00 N ATOM 660 CA GLY A 44 6.555 11.844 3.360 1.00 0.00 C ATOM 661 C GLY A 44 5.097 12.241 3.256 1.00 0.00 C ATOM 662 O GLY A 44 4.253 11.693 3.959 1.00 0.00 O ATOM 0 H GLY A 44 6.517 11.228 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.707 11.276 4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.166 12.743 3.437 1.00 0.00 H new ATOM 666 N ARG A 45 4.801 13.197 2.381 1.00 0.00 N ATOM 667 CA ARG A 45 3.432 13.668 2.200 1.00 0.00 C ATOM 668 C ARG A 45 2.715 12.844 1.133 1.00 0.00 C ATOM 669 O ARG A 45 2.848 13.107 -0.065 1.00 0.00 O ATOM 670 CB ARG A 45 3.414 15.155 1.827 1.00 0.00 C ATOM 671 CG ARG A 45 3.868 16.080 2.952 1.00 0.00 C ATOM 672 CD ARG A 45 5.363 15.967 3.221 1.00 0.00 C ATOM 673 NE ARG A 45 6.165 16.221 2.023 1.00 0.00 N ATOM 674 CZ ARG A 45 7.413 15.777 1.848 1.00 0.00 C ATOM 675 NH1 ARG A 45 8.014 15.054 2.790 1.00 0.00 N ATOM 676 NH2 ARG A 45 8.062 16.058 0.723 1.00 0.00 N ATOM 0 H ARG A 45 5.489 13.660 1.787 1.00 0.00 H new ATOM 0 HA ARG A 45 2.904 13.544 3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.057 15.310 0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.403 15.432 1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.624 17.110 2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.318 15.840 3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.644 16.675 4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.587 14.970 3.601 1.00 0.00 H new ATOM 0 HE ARG A 45 5.745 16.772 1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.522 14.834 3.656 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.967 14.720 2.646 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.607 16.611 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.015 15.721 0.586 1.00 0.00 H new ATOM 690 N MET A 46 1.963 11.836 1.579 1.00 0.00 N ATOM 691 CA MET A 46 1.222 10.967 0.668 1.00 0.00 C ATOM 692 C MET A 46 -0.096 11.620 0.253 1.00 0.00 C ATOM 693 O MET A 46 -0.532 12.600 0.861 1.00 0.00 O ATOM 694 CB MET A 46 0.953 9.610 1.323 1.00 0.00 C ATOM 695 CG MET A 46 0.869 8.458 0.334 1.00 0.00 C ATOM 696 SD MET A 46 2.386 7.483 0.267 1.00 0.00 S ATOM 697 CE MET A 46 3.563 8.712 -0.296 1.00 0.00 C ATOM 0 H MET A 46 1.852 11.603 2.566 1.00 0.00 H new ATOM 0 HA MET A 46 1.829 10.812 -0.224 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.744 9.401 2.043 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.019 9.666 1.882 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.037 7.809 0.609 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.652 8.852 -0.659 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.533 8.241 -0.454 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.214 9.148 -1.232 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.658 9.496 0.455 1.00 0.00 H new ATOM 707 N SER A 47 -0.728 11.070 -0.783 1.00 0.00 N ATOM 708 CA SER A 47 -1.988 11.609 -1.281 1.00 0.00 C ATOM 709 C SER A 47 -3.197 10.992 -0.576 1.00 0.00 C ATOM 710 O SER A 47 -3.848 11.639 0.246 1.00 0.00 O ATOM 711 CB SER A 47 -2.094 11.392 -2.795 1.00 0.00 C ATOM 712 OG SER A 47 -3.294 11.946 -3.311 1.00 0.00 O ATOM 0 H SER A 47 -0.387 10.254 -1.291 1.00 0.00 H new ATOM 0 HA SER A 47 -1.993 12.677 -1.065 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.237 11.848 -3.291 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.059 10.325 -3.015 1.00 0.00 H new ATOM 0 HG SER A 47 -3.335 11.795 -4.278 1.00 0.00 H new ATOM 718 N HIS A 48 -3.478 9.730 -0.904 1.00 0.00 N ATOM 719 CA HIS A 48 -4.629 9.005 -0.367 1.00 0.00 C ATOM 720 C HIS A 48 -4.655 7.581 -0.920 1.00 0.00 C ATOM 721 O HIS A 48 -4.511 6.618 -0.165 1.00 0.00 O ATOM 722 CB HIS A 48 -5.925 9.737 -0.752 1.00 0.00 C ATOM 723 CG HIS A 48 -7.162 8.892 -0.645 1.00 0.00 C ATOM 724 ND1 HIS A 48 -8.007 8.927 0.444 1.00 0.00 N ATOM 725 CD2 HIS A 48 -7.693 7.988 -1.503 1.00 0.00 C ATOM 726 CE1 HIS A 48 -9.004 8.081 0.251 1.00 0.00 C ATOM 727 NE2 HIS A 48 -8.837 7.499 -0.922 1.00 0.00 N ATOM 0 H HIS A 48 -2.912 9.181 -1.551 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.548 8.961 0.719 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.039 10.612 -0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.834 10.101 -1.776 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.291 7.705 -2.465 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.818 7.897 0.937 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.457 6.800 -1.330 1.00 0.00 H new ATOM 736 N LYS A 49 -4.835 7.450 -2.232 1.00 0.00 N ATOM 737 CA LYS A 49 -4.841 6.144 -2.882 1.00 0.00 C ATOM 738 C LYS A 49 -3.436 5.538 -2.857 1.00 0.00 C ATOM 739 O LYS A 49 -3.276 4.323 -2.720 1.00 0.00 O ATOM 740 CB LYS A 49 -5.338 6.299 -4.326 1.00 0.00 C ATOM 741 CG LYS A 49 -5.334 5.013 -5.142 1.00 0.00 C ATOM 742 CD LYS A 49 -3.939 4.646 -5.638 1.00 0.00 C ATOM 743 CE LYS A 49 -3.219 5.839 -6.253 1.00 0.00 C ATOM 744 NZ LYS A 49 -1.873 5.468 -6.773 1.00 0.00 N ATOM 0 H LYS A 49 -4.979 8.235 -2.867 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.511 5.472 -2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.352 6.697 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.716 7.037 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.727 4.198 -4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.003 5.125 -5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.350 4.256 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.015 3.848 -6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.821 6.248 -7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.115 6.625 -5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.416 6.307 -7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.289 5.101 -5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.973 4.736 -7.505 1.00 0.00 H new ATOM 758 N GLU A 50 -2.424 6.404 -2.958 1.00 0.00 N ATOM 759 CA GLU A 50 -1.026 5.981 -2.972 1.00 0.00 C ATOM 760 C GLU A 50 -0.644 5.196 -1.717 1.00 0.00 C ATOM 761 O GLU A 50 -0.146 4.074 -1.818 1.00 0.00 O ATOM 762 CB GLU A 50 -0.121 7.214 -3.113 1.00 0.00 C ATOM 763 CG GLU A 50 1.368 6.897 -3.121 1.00 0.00 C ATOM 764 CD GLU A 50 1.754 5.903 -4.203 1.00 0.00 C ATOM 765 OE1 GLU A 50 1.940 6.330 -5.362 1.00 0.00 O ATOM 766 OE2 GLU A 50 1.871 4.700 -3.892 1.00 0.00 O ATOM 0 H GLU A 50 -2.552 7.413 -3.032 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.890 5.314 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.375 7.734 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.331 7.900 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.930 7.820 -3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.655 6.497 -2.148 1.00 0.00 H new ATOM 773 N ALA A 51 -0.890 5.784 -0.539 1.00 0.00 N ATOM 774 CA ALA A 51 -0.541 5.148 0.737 1.00 0.00 C ATOM 775 C ALA A 51 -0.959 3.682 0.778 1.00 0.00 C ATOM 776 O ALA A 51 -0.120 2.819 1.032 1.00 0.00 O ATOM 777 CB ALA A 51 -1.153 5.909 1.906 1.00 0.00 C ATOM 0 H ALA A 51 -1.330 6.699 -0.444 1.00 0.00 H new ATOM 0 HA ALA A 51 0.545 5.182 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.881 5.419 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.778 6.933 1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.238 5.920 1.805 1.00 0.00 H new ATOM 783 N ILE A 52 -2.235 3.385 0.537 1.00 0.00 N ATOM 784 CA ILE A 52 -2.686 1.995 0.597 1.00 0.00 C ATOM 785 C ILE A 52 -1.937 1.146 -0.429 1.00 0.00 C ATOM 786 O ILE A 52 -1.449 0.063 -0.104 1.00 0.00 O ATOM 787 CB ILE A 52 -4.212 1.866 0.406 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.953 2.640 1.503 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.634 0.402 0.401 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.735 2.091 2.898 1.00 0.00 C ATOM 0 H ILE A 52 -2.958 4.066 0.305 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.459 1.623 1.596 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.476 2.297 -0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.632 3.681 1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.020 2.631 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.713 0.335 0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.133 -0.118 -0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.358 -0.059 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.292 2.692 3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.083 1.059 2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.673 2.126 3.141 1.00 0.00 H new ATOM 802 N LEU A 53 -1.855 1.638 -1.668 1.00 0.00 N ATOM 803 CA LEU A 53 -1.233 0.880 -2.757 1.00 0.00 C ATOM 804 C LEU A 53 0.168 0.360 -2.412 1.00 0.00 C ATOM 805 O LEU A 53 0.594 -0.665 -2.950 1.00 0.00 O ATOM 806 CB LEU A 53 -1.219 1.701 -4.047 1.00 0.00 C ATOM 807 CG LEU A 53 -0.880 0.928 -5.323 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.924 -0.142 -5.597 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.775 1.881 -6.502 1.00 0.00 C ATOM 0 H LEU A 53 -2.210 2.554 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.850 -0.005 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.199 2.162 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.498 2.511 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 53 0.083 0.437 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.663 -0.680 -6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.957 -0.841 -4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.901 0.326 -5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.533 1.319 -7.404 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.726 2.396 -6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.010 2.613 -6.310 1.00 0.00 H new ATOM 821 N LEU A 54 0.885 1.066 -1.527 1.00 0.00 N ATOM 822 CA LEU A 54 2.225 0.650 -1.092 1.00 0.00 C ATOM 823 C LEU A 54 2.287 -0.849 -0.766 1.00 0.00 C ATOM 824 O LEU A 54 3.293 -1.509 -1.033 1.00 0.00 O ATOM 825 CB LEU A 54 2.632 1.444 0.155 1.00 0.00 C ATOM 826 CG LEU A 54 3.372 2.762 -0.101 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.525 3.707 -0.934 1.00 0.00 C ATOM 828 CD2 LEU A 54 3.755 3.414 1.219 1.00 0.00 C ATOM 0 H LEU A 54 0.558 1.931 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 54 2.910 0.848 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.734 1.661 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.265 0.809 0.775 1.00 0.00 H new ATOM 0 HG LEU A 54 4.281 2.541 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.072 4.635 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.297 3.242 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.596 3.924 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.280 4.349 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.855 3.617 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.405 2.743 1.781 1.00 0.00 H new ATOM 840 N GLY A 55 1.199 -1.367 -0.180 1.00 0.00 N ATOM 841 CA GLY A 55 1.122 -2.771 0.210 1.00 0.00 C ATOM 842 C GLY A 55 1.560 -3.750 -0.868 1.00 0.00 C ATOM 843 O GLY A 55 2.291 -4.695 -0.575 1.00 0.00 O ATOM 0 H GLY A 55 0.360 -0.828 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.740 -2.924 1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.095 -3.000 0.495 1.00 0.00 H new ATOM 847 N LEU A 56 1.103 -3.543 -2.107 1.00 0.00 N ATOM 848 CA LEU A 56 1.463 -4.436 -3.216 1.00 0.00 C ATOM 849 C LEU A 56 2.971 -4.673 -3.276 1.00 0.00 C ATOM 850 O LEU A 56 3.415 -5.802 -3.483 1.00 0.00 O ATOM 851 CB LEU A 56 0.977 -3.877 -4.557 1.00 0.00 C ATOM 852 CG LEU A 56 -0.512 -3.527 -4.630 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.905 -3.188 -6.059 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.364 -4.670 -4.096 1.00 0.00 C ATOM 0 H LEU A 56 0.488 -2.772 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 56 0.968 -5.389 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.554 -2.981 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.198 -4.607 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.690 -2.653 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.966 -2.941 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.322 -2.334 -6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.709 -4.045 -6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.418 -4.398 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.185 -5.566 -4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.100 -4.866 -3.057 1.00 0.00 H new ATOM 866 N ARG A 57 3.753 -3.607 -3.099 1.00 0.00 N ATOM 867 CA ARG A 57 5.213 -3.709 -3.126 1.00 0.00 C ATOM 868 C ARG A 57 5.725 -4.603 -1.992 1.00 0.00 C ATOM 869 O ARG A 57 6.702 -5.336 -2.162 1.00 0.00 O ATOM 870 CB ARG A 57 5.848 -2.318 -3.022 1.00 0.00 C ATOM 871 CG ARG A 57 5.443 -1.371 -4.142 1.00 0.00 C ATOM 872 CD ARG A 57 5.817 -1.921 -5.511 1.00 0.00 C ATOM 873 NE ARG A 57 7.263 -2.089 -5.665 1.00 0.00 N ATOM 874 CZ ARG A 57 7.846 -2.577 -6.763 1.00 0.00 C ATOM 875 NH1 ARG A 57 7.112 -2.944 -7.811 1.00 0.00 N ATOM 876 NH2 ARG A 57 9.169 -2.695 -6.814 1.00 0.00 N ATOM 0 H ARG A 57 3.400 -2.664 -2.936 1.00 0.00 H new ATOM 0 HA ARG A 57 5.499 -4.161 -4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.572 -1.874 -2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.933 -2.423 -3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.367 -1.199 -4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.926 -0.405 -3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.324 -2.881 -5.662 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.447 -1.248 -6.284 1.00 0.00 H new ATOM 0 HE ARG A 57 7.862 -1.817 -4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.097 -2.853 -7.779 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.565 -3.316 -8.646 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.737 -2.413 -6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.616 -3.068 -7.652 1.00 0.00 H new ATOM 890 N TYR A 58 5.055 -4.536 -0.840 1.00 0.00 N ATOM 891 CA TYR A 58 5.422 -5.340 0.326 1.00 0.00 C ATOM 892 C TYR A 58 5.207 -6.831 0.061 1.00 0.00 C ATOM 893 O TYR A 58 6.081 -7.655 0.336 1.00 0.00 O ATOM 894 CB TYR A 58 4.596 -4.908 1.543 1.00 0.00 C ATOM 895 CG TYR A 58 4.998 -5.587 2.834 1.00 0.00 C ATOM 896 CD1 TYR A 58 6.044 -5.093 3.602 1.00 0.00 C ATOM 897 CD2 TYR A 58 4.331 -6.719 3.285 1.00 0.00 C ATOM 898 CE1 TYR A 58 6.414 -5.707 4.782 1.00 0.00 C ATOM 899 CE2 TYR A 58 4.695 -7.340 4.464 1.00 0.00 C ATOM 900 CZ TYR A 58 5.738 -6.830 5.209 1.00 0.00 C ATOM 901 OH TYR A 58 6.103 -7.445 6.385 1.00 0.00 O ATOM 0 H TYR A 58 4.250 -3.928 -0.690 1.00 0.00 H new ATOM 0 HA TYR A 58 6.481 -5.177 0.527 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.689 -3.829 1.668 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.544 -5.116 1.347 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.577 -4.214 3.271 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.514 -7.120 2.704 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.229 -5.309 5.368 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.166 -8.220 4.800 1.00 0.00 H new ATOM 0 HH TYR A 58 5.525 -8.221 6.541 1.00 0.00 H new ATOM 911 N LYS A 59 4.032 -7.158 -0.480 1.00 0.00 N ATOM 912 CA LYS A 59 3.666 -8.540 -0.793 1.00 0.00 C ATOM 913 C LYS A 59 4.270 -9.011 -2.121 1.00 0.00 C ATOM 914 O LYS A 59 4.228 -10.202 -2.432 1.00 0.00 O ATOM 915 CB LYS A 59 2.142 -8.666 -0.844 1.00 0.00 C ATOM 916 CG LYS A 59 1.464 -8.386 0.489 1.00 0.00 C ATOM 917 CD LYS A 59 1.799 -9.453 1.521 1.00 0.00 C ATOM 918 CE LYS A 59 1.309 -9.064 2.906 1.00 0.00 C ATOM 919 NZ LYS A 59 1.602 -10.116 3.918 1.00 0.00 N ATOM 0 H LYS A 59 3.310 -6.476 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 59 4.070 -9.177 -0.006 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.753 -7.975 -1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.879 -9.672 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.777 -7.410 0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.384 -8.342 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.346 -10.400 1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.877 -9.610 1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.781 -8.129 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.235 -8.882 2.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.251 -9.810 4.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.131 -11.002 3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.629 -10.272 3.969 1.00 0.00 H new ATOM 933 N LYS A 60 4.824 -8.075 -2.901 1.00 0.00 N ATOM 934 CA LYS A 60 5.434 -8.389 -4.193 1.00 0.00 C ATOM 935 C LYS A 60 4.383 -8.855 -5.202 1.00 0.00 C ATOM 936 O LYS A 60 4.334 -10.031 -5.573 1.00 0.00 O ATOM 937 CB LYS A 60 6.536 -9.443 -4.037 1.00 0.00 C ATOM 938 CG LYS A 60 7.650 -9.015 -3.094 1.00 0.00 C ATOM 939 CD LYS A 60 8.988 -9.618 -3.492 1.00 0.00 C ATOM 940 CE LYS A 60 9.466 -9.085 -4.836 1.00 0.00 C ATOM 941 NZ LYS A 60 10.789 -9.650 -5.222 1.00 0.00 N ATOM 0 H LYS A 60 4.861 -7.086 -2.654 1.00 0.00 H new ATOM 0 HA LYS A 60 5.887 -7.474 -4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.094 -10.369 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.962 -9.660 -5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.727 -7.928 -3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.402 -9.319 -2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.731 -9.394 -2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.898 -10.703 -3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.731 -9.326 -5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.535 -7.998 -4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.077 -9.261 -6.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.497 -9.399 -4.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.718 -10.685 -5.290 1.00 0.00 H new ATOM 955 N LEU A 61 3.539 -7.918 -5.630 1.00 0.00 N ATOM 956 CA LEU A 61 2.485 -8.213 -6.608 1.00 0.00 C ATOM 957 C LEU A 61 1.855 -6.934 -7.177 1.00 0.00 C ATOM 958 O LEU A 61 0.699 -6.943 -7.593 1.00 0.00 O ATOM 959 CB LEU A 61 1.405 -9.108 -5.978 1.00 0.00 C ATOM 960 CG LEU A 61 1.128 -8.864 -4.488 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.653 -7.441 -4.248 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.104 -9.860 -3.965 1.00 0.00 C ATOM 0 H LEU A 61 3.562 -6.947 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 61 2.950 -8.745 -7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.475 -8.968 -6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.700 -10.149 -6.109 1.00 0.00 H new ATOM 0 HG LEU A 61 2.062 -9.007 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.464 -7.295 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.420 -6.741 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.266 -7.265 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.080 -9.672 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.827 -9.750 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.484 -10.874 -4.092 1.00 0.00 H new ATOM 974 N TYR A 62 2.626 -5.845 -7.226 1.00 0.00 N ATOM 975 CA TYR A 62 2.132 -4.567 -7.747 1.00 0.00 C ATOM 976 C TYR A 62 1.654 -4.675 -9.205 1.00 0.00 C ATOM 977 O TYR A 62 0.926 -3.803 -9.684 1.00 0.00 O ATOM 978 CB TYR A 62 3.239 -3.510 -7.640 1.00 0.00 C ATOM 979 CG TYR A 62 2.782 -2.095 -7.930 1.00 0.00 C ATOM 980 CD1 TYR A 62 2.296 -1.280 -6.916 1.00 0.00 C ATOM 981 CD2 TYR A 62 2.846 -1.572 -9.217 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.886 0.014 -7.175 1.00 0.00 C ATOM 983 CE2 TYR A 62 2.436 -0.280 -9.484 1.00 0.00 C ATOM 984 CZ TYR A 62 1.958 0.509 -8.458 1.00 0.00 C ATOM 985 OH TYR A 62 1.551 1.799 -8.717 1.00 0.00 O ATOM 0 H TYR A 62 3.596 -5.822 -6.911 1.00 0.00 H new ATOM 0 HA TYR A 62 1.271 -4.276 -7.145 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.661 -3.544 -6.636 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.040 -3.769 -8.332 1.00 0.00 H new ATOM 0 HD1 TYR A 62 2.238 -1.664 -5.908 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.223 -2.186 -10.021 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.511 0.634 -6.375 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.489 0.110 -10.490 1.00 0.00 H new ATOM 0 HH TYR A 62 1.667 1.993 -9.670 1.00 0.00 H new ATOM 995 N ASN A 63 2.051 -5.745 -9.903 1.00 0.00 N ATOM 996 CA ASN A 63 1.675 -5.930 -11.304 1.00 0.00 C ATOM 997 C ASN A 63 0.238 -6.442 -11.476 1.00 0.00 C ATOM 998 O ASN A 63 -0.620 -5.718 -11.983 1.00 0.00 O ATOM 999 CB ASN A 63 2.657 -6.885 -11.991 1.00 0.00 C ATOM 1000 CG ASN A 63 2.472 -6.923 -13.498 1.00 0.00 C ATOM 1001 OD1 ASN A 63 3.073 -6.134 -14.227 1.00 0.00 O ATOM 1002 ND2 ASN A 63 1.636 -7.840 -13.974 1.00 0.00 N ATOM 0 H ASN A 63 2.630 -6.492 -9.520 1.00 0.00 H new ATOM 0 HA ASN A 63 1.720 -4.948 -11.775 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.678 -6.579 -11.761 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.526 -7.889 -11.587 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.473 -7.909 -14.978 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.158 -8.475 -13.335 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.027 -7.685 -11.052 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.358 -8.280 -11.220 1.00 0.00 C ATOM 1011 C GLN A 64 -2.304 -7.954 -10.056 1.00 0.00 C ATOM 1012 O GLN A 64 -3.516 -8.103 -10.205 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.238 -9.798 -11.401 1.00 0.00 C ATOM 1014 CG GLN A 64 -2.544 -10.490 -11.767 1.00 0.00 C ATOM 1015 CD GLN A 64 -3.099 -10.043 -13.109 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -2.351 -9.667 -14.012 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -4.421 -10.087 -13.249 1.00 0.00 N ATOM 0 H GLN A 64 0.654 -8.291 -10.595 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.796 -7.839 -12.115 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.502 -10.002 -12.178 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.856 -10.233 -10.478 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.384 -11.568 -11.788 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.283 -10.292 -10.991 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.005 -10.405 -12.476 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.850 -9.803 -14.130 1.00 0.00 H new ATOM 1026 N ALA A 65 -1.782 -7.506 -8.915 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.637 -7.193 -7.765 1.00 0.00 C ATOM 1028 C ALA A 65 -3.536 -5.986 -8.034 1.00 0.00 C ATOM 1029 O ALA A 65 -4.722 -5.999 -7.696 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.793 -6.940 -6.527 1.00 0.00 C ATOM 0 H ALA A 65 -0.786 -7.352 -8.760 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.278 -8.058 -7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.444 -6.709 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.205 -7.829 -6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.123 -6.100 -6.709 1.00 0.00 H new ATOM 1036 N ARG A 66 -2.964 -4.948 -8.646 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.701 -3.721 -8.951 1.00 0.00 C ATOM 1038 C ARG A 66 -4.777 -3.938 -10.025 1.00 0.00 C ATOM 1039 O ARG A 66 -5.749 -3.182 -10.089 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.727 -2.626 -9.397 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.332 -1.231 -9.395 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.279 -0.161 -9.641 1.00 0.00 C ATOM 1043 NE ARG A 66 -1.680 -0.268 -10.972 1.00 0.00 N ATOM 1044 CZ ARG A 66 -1.072 0.741 -11.600 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -0.988 1.941 -11.032 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -0.546 0.549 -12.805 1.00 0.00 N ATOM 0 H ARG A 66 -1.988 -4.933 -8.941 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.212 -3.412 -8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.857 -2.636 -8.740 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.371 -2.856 -10.401 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.102 -1.167 -10.164 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.821 -1.048 -8.438 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.731 0.824 -9.527 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.498 -0.243 -8.886 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.730 -1.168 -11.449 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.390 2.097 -10.108 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.521 2.705 -11.521 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.607 -0.368 -13.248 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.081 1.318 -13.287 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.608 -4.966 -10.864 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.573 -5.250 -11.930 1.00 0.00 C ATOM 1062 C VAL A 67 -6.608 -6.297 -11.511 1.00 0.00 C ATOM 1063 O VAL A 67 -7.790 -6.165 -11.836 1.00 0.00 O ATOM 1064 CB VAL A 67 -4.880 -5.709 -13.233 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -4.107 -4.559 -13.858 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -3.962 -6.897 -12.983 1.00 0.00 C ATOM 0 H VAL A 67 -3.818 -5.610 -10.826 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.088 -4.308 -12.119 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.655 -6.028 -13.930 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.625 -4.900 -14.774 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.792 -3.744 -14.090 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.348 -4.208 -13.158 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.490 -7.195 -13.919 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.194 -6.618 -12.262 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.544 -7.730 -12.589 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.169 -7.336 -10.795 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.078 -8.394 -10.345 1.00 0.00 C ATOM 1078 C LYS A 68 -8.092 -7.855 -9.331 1.00 0.00 C ATOM 1079 O LYS A 68 -9.230 -8.322 -9.274 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.294 -9.564 -9.738 1.00 0.00 C ATOM 1081 CG LYS A 68 -5.642 -9.241 -8.404 1.00 0.00 C ATOM 1082 CD LYS A 68 -4.982 -10.465 -7.785 1.00 0.00 C ATOM 1083 CE LYS A 68 -3.857 -11.003 -8.656 1.00 0.00 C ATOM 1084 NZ LYS A 68 -3.209 -12.200 -8.053 1.00 0.00 N ATOM 0 H LYS A 68 -5.197 -7.467 -10.516 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.623 -8.755 -11.217 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.968 -10.411 -9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.523 -9.876 -10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.897 -8.458 -8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.393 -8.847 -7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.589 -10.207 -6.802 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.730 -11.244 -7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.251 -11.261 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.110 -10.223 -8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.448 -12.535 -8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.810 -11.949 -7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.915 -12.954 -7.933 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.665 -6.874 -8.529 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.532 -6.259 -7.527 1.00 0.00 C ATOM 1100 C TYR A 69 -8.863 -4.816 -7.910 1.00 0.00 C ATOM 1101 O TYR A 69 -8.183 -4.215 -8.745 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.865 -6.297 -6.148 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.980 -7.635 -5.453 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -9.129 -7.976 -4.752 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -6.942 -8.556 -5.500 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -9.240 -9.197 -4.117 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -7.047 -9.780 -4.870 1.00 0.00 C ATOM 1108 CZ TYR A 69 -8.197 -10.097 -4.179 1.00 0.00 C ATOM 1109 OH TYR A 69 -8.308 -11.316 -3.550 1.00 0.00 O ATOM 0 H TYR A 69 -6.720 -6.490 -8.557 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.461 -6.828 -7.485 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.810 -6.044 -6.257 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.313 -5.530 -5.516 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.949 -7.275 -4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.038 -8.311 -6.038 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.140 -9.446 -3.574 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.231 -10.486 -4.918 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.487 -11.833 -3.691 1.00 0.00 H new ATOM 1119 N SER A 70 -9.911 -4.266 -7.295 1.00 0.00 N ATOM 1120 CA SER A 70 -10.329 -2.893 -7.570 1.00 0.00 C ATOM 1121 C SER A 70 -9.486 -1.893 -6.774 1.00 0.00 C ATOM 1122 O SER A 70 -9.802 -1.575 -5.625 1.00 0.00 O ATOM 1123 CB SER A 70 -11.816 -2.710 -7.246 1.00 0.00 C ATOM 1124 OG SER A 70 -12.276 -1.434 -7.655 1.00 0.00 O ATOM 0 H SER A 70 -10.484 -4.750 -6.604 1.00 0.00 H new ATOM 0 HA SER A 70 -10.175 -2.700 -8.632 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.398 -3.486 -7.744 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.975 -2.831 -6.174 1.00 0.00 H new ATOM 0 HG SER A 70 -13.227 -1.344 -7.438 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.403 -1.415 -7.392 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.511 -0.447 -6.753 1.00 0.00 C ATOM 1132 C LEU A 71 -7.584 0.903 -7.467 1.00 0.00 C ATOM 1133 O LEU A 71 -8.051 1.889 -6.893 1.00 0.00 O ATOM 1134 CB LEU A 71 -6.065 -0.961 -6.747 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.794 -2.153 -5.823 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.394 -3.429 -6.393 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.300 -2.324 -5.593 1.00 0.00 C ATOM 0 H LEU A 71 -8.123 -1.684 -8.335 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.838 -0.317 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.793 -1.243 -7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.407 -0.142 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.271 -1.952 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.188 -4.261 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.472 -3.308 -6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.953 -3.635 -7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.128 -3.175 -4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.802 -2.497 -6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.897 -1.422 -5.132 1.00 0.00 H new ATOM 1149 N LEU A 72 -7.120 0.939 -8.716 1.00 0.00 N ATOM 1150 CA LEU A 72 -7.135 2.168 -9.507 1.00 0.00 C ATOM 1151 C LEU A 72 -8.217 2.109 -10.580 1.00 0.00 C ATOM 1152 O LEU A 72 -8.304 1.139 -11.336 1.00 0.00 O ATOM 1153 CB LEU A 72 -5.767 2.409 -10.156 1.00 0.00 C ATOM 1154 CG LEU A 72 -4.693 2.998 -9.233 1.00 0.00 C ATOM 1155 CD1 LEU A 72 -5.120 4.365 -8.717 1.00 0.00 C ATOM 1156 CD2 LEU A 72 -4.404 2.056 -8.071 1.00 0.00 C ATOM 0 H LEU A 72 -6.729 0.131 -9.201 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.356 2.997 -8.835 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.401 1.462 -10.553 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.900 3.080 -11.004 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.777 3.119 -9.812 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.345 4.766 -8.064 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.271 5.041 -9.559 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.051 4.268 -8.158 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.639 2.494 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.316 1.899 -7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.050 1.100 -8.457 1.00 0.00 H new ATOM 1168 N GLU A 73 -9.043 3.153 -10.637 1.00 0.00 N ATOM 1169 CA GLU A 73 -10.126 3.226 -11.614 1.00 0.00 C ATOM 1170 C GLU A 73 -10.219 4.625 -12.224 1.00 0.00 C ATOM 1171 O GLU A 73 -10.686 5.551 -11.524 1.00 0.00 O ATOM 1172 CB GLU A 73 -11.458 2.840 -10.961 1.00 0.00 C ATOM 1173 CG GLU A 73 -11.435 1.481 -10.277 1.00 0.00 C ATOM 1174 CD GLU A 73 -12.779 1.098 -9.690 1.00 0.00 C ATOM 1175 OE1 GLU A 73 -13.049 1.471 -8.529 1.00 0.00 O ATOM 1176 OE2 GLU A 73 -13.563 0.423 -10.391 1.00 0.00 O ATOM 0 H GLU A 73 -8.982 3.960 -10.017 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.909 2.520 -12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.727 3.601 -10.228 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.239 2.840 -11.722 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.128 0.722 -10.997 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.687 1.490 -9.485 1.00 0.00 H new TER 1183 GLU A 73