USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 621 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 28 TYR OH : rot -51:sc= 0.831 USER MOD Set 1.2: A 63 MET CE :methyl -114:sc= -0.823 (180deg=-2.36!) USER MOD Single : A 1 MET CE :methyl -121:sc=-0.00442 (180deg=-0.0606) USER MOD Single : A 1 MET N :NH3+ 135:sc= -0.0104 (180deg=-0.624) USER MOD Single : A 5 HIS : no HD1:sc= -0.384 K(o=-0.38,f=-1.2) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0754 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -126:sc= 0.227 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 30:sc= 0.397 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0962 USER MOD Single : A 31 THR OG1 : rot 70:sc= -0.153 USER MOD Single : A 32 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.24) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.293) USER MOD Single : A 44 THR OG1 : rot 107:sc= -1.99! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -3.61! C(o=-3.6!,f=-5.2!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.064) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 12:sc= 0.741 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 5:sc= 1.03 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 65.038 26.066 -5.200 1.00 0.00 N ATOM 2 CA MET A 1 66.079 25.013 -5.032 1.00 0.00 C ATOM 3 C MET A 1 67.129 25.151 -6.136 1.00 0.00 C ATOM 4 O MET A 1 66.849 25.637 -7.215 1.00 0.00 O ATOM 5 CB MET A 1 65.426 23.631 -5.121 1.00 0.00 C ATOM 6 CG MET A 1 64.958 23.379 -6.556 1.00 0.00 C ATOM 7 SD MET A 1 63.742 22.038 -6.567 1.00 0.00 S ATOM 8 CE MET A 1 64.910 20.672 -6.360 1.00 0.00 C ATOM 0 H1 MET A 1 64.095 25.643 -5.084 1.00 0.00 H new ATOM 0 H2 MET A 1 65.176 26.808 -4.484 1.00 0.00 H new ATOM 0 H3 MET A 1 65.116 26.483 -6.150 1.00 0.00 H new ATOM 0 HA MET A 1 66.557 25.128 -4.059 1.00 0.00 H new ATOM 0 HB2 MET A 1 66.136 22.861 -4.818 1.00 0.00 H new ATOM 0 HB3 MET A 1 64.580 23.572 -4.436 1.00 0.00 H new ATOM 0 HG2 MET A 1 64.519 24.286 -6.971 1.00 0.00 H new ATOM 0 HG3 MET A 1 65.808 23.119 -7.187 1.00 0.00 H new ATOM 0 HE1 MET A 1 64.823 19.988 -7.204 1.00 0.00 H new ATOM 0 HE2 MET A 1 65.926 21.065 -6.315 1.00 0.00 H new ATOM 0 HE3 MET A 1 64.686 20.139 -5.436 1.00 0.00 H new ATOM 20 N ASP A 2 68.336 24.729 -5.877 1.00 0.00 N ATOM 21 CA ASP A 2 69.402 24.836 -6.912 1.00 0.00 C ATOM 22 C ASP A 2 69.592 23.479 -7.592 1.00 0.00 C ATOM 23 O ASP A 2 69.794 22.472 -6.943 1.00 0.00 O ATOM 24 CB ASP A 2 70.714 25.264 -6.251 1.00 0.00 C ATOM 25 CG ASP A 2 70.961 26.749 -6.521 1.00 0.00 C ATOM 26 OD1 ASP A 2 70.134 27.550 -6.118 1.00 0.00 O ATOM 27 OD2 ASP A 2 71.974 27.060 -7.127 1.00 0.00 O ATOM 0 H ASP A 2 68.630 24.314 -4.993 1.00 0.00 H new ATOM 0 HA ASP A 2 69.112 25.577 -7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 2 70.669 25.081 -5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 2 71.541 24.670 -6.641 1.00 0.00 H new ATOM 32 N ARG A 3 69.529 23.443 -8.895 1.00 0.00 N ATOM 33 CA ARG A 3 69.706 22.151 -9.616 1.00 0.00 C ATOM 34 C ARG A 3 71.188 21.772 -9.628 1.00 0.00 C ATOM 35 O ARG A 3 71.936 22.180 -10.494 1.00 0.00 O ATOM 36 CB ARG A 3 69.205 22.295 -11.054 1.00 0.00 C ATOM 37 CG ARG A 3 68.666 20.950 -11.545 1.00 0.00 C ATOM 38 CD ARG A 3 67.332 21.165 -12.262 1.00 0.00 C ATOM 39 NE ARG A 3 66.367 21.816 -11.332 1.00 0.00 N ATOM 40 CZ ARG A 3 65.126 21.992 -11.697 1.00 0.00 C ATOM 41 NH1 ARG A 3 64.667 21.391 -12.760 1.00 0.00 N ATOM 42 NH2 ARG A 3 64.345 22.768 -10.997 1.00 0.00 N ATOM 0 H ARG A 3 69.362 24.253 -9.492 1.00 0.00 H new ATOM 0 HA ARG A 3 69.136 21.372 -9.109 1.00 0.00 H new ATOM 0 HB2 ARG A 3 68.422 23.052 -11.103 1.00 0.00 H new ATOM 0 HB3 ARG A 3 70.015 22.632 -11.700 1.00 0.00 H new ATOM 0 HG2 ARG A 3 69.383 20.484 -12.221 1.00 0.00 H new ATOM 0 HG3 ARG A 3 68.533 20.270 -10.703 1.00 0.00 H new ATOM 0 HD2 ARG A 3 67.478 21.787 -13.145 1.00 0.00 H new ATOM 0 HD3 ARG A 3 66.934 20.210 -12.606 1.00 0.00 H new ATOM 0 HE ARG A 3 66.676 22.124 -10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 3 65.278 20.783 -13.306 1.00 0.00 H new ATOM 0 HH12 ARG A 3 63.697 21.529 -13.045 1.00 0.00 H new ATOM 0 HH21 ARG A 3 64.704 23.237 -10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 3 63.375 22.906 -11.281 1.00 0.00 H new ATOM 56 N PHE A 4 71.619 20.994 -8.673 1.00 0.00 N ATOM 57 CA PHE A 4 73.053 20.589 -8.631 1.00 0.00 C ATOM 58 C PHE A 4 73.390 19.770 -9.878 1.00 0.00 C ATOM 59 O PHE A 4 72.527 19.433 -10.664 1.00 0.00 O ATOM 60 CB PHE A 4 73.306 19.742 -7.382 1.00 0.00 C ATOM 61 CG PHE A 4 73.886 20.611 -6.292 1.00 0.00 C ATOM 62 CD1 PHE A 4 75.243 20.956 -6.319 1.00 0.00 C ATOM 63 CD2 PHE A 4 73.068 21.070 -5.253 1.00 0.00 C ATOM 64 CE1 PHE A 4 75.781 21.762 -5.308 1.00 0.00 C ATOM 65 CE2 PHE A 4 73.606 21.876 -4.242 1.00 0.00 C ATOM 66 CZ PHE A 4 74.962 22.221 -4.270 1.00 0.00 C ATOM 0 H PHE A 4 71.040 20.621 -7.920 1.00 0.00 H new ATOM 0 HA PHE A 4 73.681 21.479 -8.601 1.00 0.00 H new ATOM 0 HB2 PHE A 4 72.375 19.288 -7.043 1.00 0.00 H new ATOM 0 HB3 PHE A 4 73.991 18.927 -7.615 1.00 0.00 H new ATOM 0 HD1 PHE A 4 75.875 20.600 -7.120 1.00 0.00 H new ATOM 0 HD2 PHE A 4 72.022 20.803 -5.231 1.00 0.00 H new ATOM 0 HE1 PHE A 4 76.827 22.029 -5.329 1.00 0.00 H new ATOM 0 HE2 PHE A 4 72.975 22.231 -3.441 1.00 0.00 H new ATOM 0 HZ PHE A 4 75.377 22.842 -3.490 1.00 0.00 H new ATOM 76 N HIS A 5 74.640 19.445 -10.066 1.00 0.00 N ATOM 77 CA HIS A 5 75.032 18.647 -11.262 1.00 0.00 C ATOM 78 C HIS A 5 75.189 17.178 -10.864 1.00 0.00 C ATOM 79 O HIS A 5 76.068 16.487 -11.339 1.00 0.00 O ATOM 80 CB HIS A 5 76.360 19.170 -11.812 1.00 0.00 C ATOM 81 CG HIS A 5 76.221 20.626 -12.162 1.00 0.00 C ATOM 82 ND1 HIS A 5 76.164 21.617 -11.194 1.00 0.00 N ATOM 83 CD2 HIS A 5 76.127 21.274 -13.368 1.00 0.00 C ATOM 84 CE1 HIS A 5 76.042 22.797 -11.829 1.00 0.00 C ATOM 85 NE2 HIS A 5 76.014 22.645 -13.156 1.00 0.00 N ATOM 0 H HIS A 5 75.407 19.698 -9.443 1.00 0.00 H new ATOM 0 HA HIS A 5 74.261 18.737 -12.028 1.00 0.00 H new ATOM 0 HB2 HIS A 5 77.149 19.037 -11.072 1.00 0.00 H new ATOM 0 HB3 HIS A 5 76.650 18.599 -12.694 1.00 0.00 H new ATOM 0 HD2 HIS A 5 76.139 20.793 -14.335 1.00 0.00 H new ATOM 0 HE1 HIS A 5 75.975 23.751 -11.327 1.00 0.00 H new ATOM 0 HE2 HIS A 5 75.928 23.376 -13.862 1.00 0.00 H new ATOM 93 N ALA A 6 74.344 16.696 -9.994 1.00 0.00 N ATOM 94 CA ALA A 6 74.446 15.273 -9.566 1.00 0.00 C ATOM 95 C ALA A 6 73.423 14.434 -10.333 1.00 0.00 C ATOM 96 O ALA A 6 72.948 14.823 -11.382 1.00 0.00 O ATOM 97 CB ALA A 6 74.167 15.171 -8.065 1.00 0.00 C ATOM 0 H ALA A 6 73.588 17.226 -9.561 1.00 0.00 H new ATOM 0 HA ALA A 6 75.449 14.902 -9.776 1.00 0.00 H new ATOM 0 HB1 ALA A 6 74.241 14.130 -7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 6 74.897 15.768 -7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 6 73.164 15.542 -7.855 1.00 0.00 H new ATOM 103 N THR A 7 73.078 13.285 -9.819 1.00 0.00 N ATOM 104 CA THR A 7 72.086 12.423 -10.519 1.00 0.00 C ATOM 105 C THR A 7 70.672 12.921 -10.211 1.00 0.00 C ATOM 106 O THR A 7 70.426 13.527 -9.187 1.00 0.00 O ATOM 107 CB THR A 7 72.234 10.978 -10.036 1.00 0.00 C ATOM 108 OG1 THR A 7 72.677 10.975 -8.686 1.00 0.00 O ATOM 109 CG2 THR A 7 73.253 10.247 -10.911 1.00 0.00 C ATOM 0 H THR A 7 73.441 12.907 -8.944 1.00 0.00 H new ATOM 0 HA THR A 7 72.261 12.466 -11.594 1.00 0.00 H new ATOM 0 HB THR A 7 71.271 10.471 -10.104 1.00 0.00 H new ATOM 0 HG1 THR A 7 72.771 10.051 -8.375 1.00 0.00 H new ATOM 0 HG21 THR A 7 73.357 9.218 -10.566 1.00 0.00 H new ATOM 0 HG22 THR A 7 72.912 10.250 -11.946 1.00 0.00 H new ATOM 0 HG23 THR A 7 74.217 10.751 -10.845 1.00 0.00 H new ATOM 117 N SER A 8 69.740 12.671 -11.090 1.00 0.00 N ATOM 118 CA SER A 8 68.344 13.130 -10.846 1.00 0.00 C ATOM 119 C SER A 8 67.729 12.311 -9.710 1.00 0.00 C ATOM 120 O SER A 8 67.671 11.099 -9.767 1.00 0.00 O ATOM 121 CB SER A 8 67.516 12.941 -12.118 1.00 0.00 C ATOM 122 OG SER A 8 66.195 13.414 -11.892 1.00 0.00 O ATOM 0 H SER A 8 69.885 12.169 -11.966 1.00 0.00 H new ATOM 0 HA SER A 8 68.351 14.185 -10.570 1.00 0.00 H new ATOM 0 HB2 SER A 8 67.972 13.483 -12.947 1.00 0.00 H new ATOM 0 HB3 SER A 8 67.495 11.888 -12.399 1.00 0.00 H new ATOM 0 HG SER A 8 65.662 13.296 -12.706 1.00 0.00 H new ATOM 128 N ALA A 9 67.268 12.963 -8.678 1.00 0.00 N ATOM 129 CA ALA A 9 66.656 12.221 -7.540 1.00 0.00 C ATOM 130 C ALA A 9 65.312 11.634 -7.978 1.00 0.00 C ATOM 131 O ALA A 9 64.735 12.050 -8.963 1.00 0.00 O ATOM 132 CB ALA A 9 66.436 13.178 -6.367 1.00 0.00 C ATOM 0 H ALA A 9 67.289 13.977 -8.574 1.00 0.00 H new ATOM 0 HA ALA A 9 67.322 11.415 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 9 65.988 12.636 -5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 9 67.393 13.597 -6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 9 65.770 13.984 -6.675 1.00 0.00 H new ATOM 138 N ASP A 10 64.808 10.671 -7.255 1.00 0.00 N ATOM 139 CA ASP A 10 63.503 10.062 -7.635 1.00 0.00 C ATOM 140 C ASP A 10 62.824 9.488 -6.390 1.00 0.00 C ATOM 141 O ASP A 10 62.898 8.306 -6.119 1.00 0.00 O ATOM 142 CB ASP A 10 63.737 8.941 -8.649 1.00 0.00 C ATOM 143 CG ASP A 10 62.593 8.925 -9.665 1.00 0.00 C ATOM 144 OD1 ASP A 10 61.453 8.826 -9.242 1.00 0.00 O ATOM 145 OD2 ASP A 10 62.877 9.013 -10.848 1.00 0.00 O ATOM 0 H ASP A 10 65.243 10.281 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 10 62.864 10.826 -8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 10 64.689 9.090 -9.159 1.00 0.00 H new ATOM 0 HB3 ASP A 10 63.797 7.980 -8.138 1.00 0.00 H new ATOM 150 N CYS A 11 62.160 10.316 -5.630 1.00 0.00 N ATOM 151 CA CYS A 11 61.475 9.817 -4.405 1.00 0.00 C ATOM 152 C CYS A 11 60.272 8.963 -4.808 1.00 0.00 C ATOM 153 O CYS A 11 60.084 8.647 -5.966 1.00 0.00 O ATOM 154 CB CYS A 11 61.002 11.006 -3.566 1.00 0.00 C ATOM 155 SG CYS A 11 62.426 11.778 -2.760 1.00 0.00 S ATOM 0 H CYS A 11 62.063 11.316 -5.805 1.00 0.00 H new ATOM 0 HA CYS A 11 62.168 9.213 -3.819 1.00 0.00 H new ATOM 0 HB2 CYS A 11 60.491 11.731 -4.199 1.00 0.00 H new ATOM 0 HB3 CYS A 11 60.283 10.674 -2.818 1.00 0.00 H new ATOM 160 N CYS A 12 59.457 8.585 -3.863 1.00 0.00 N ATOM 161 CA CYS A 12 58.269 7.751 -4.196 1.00 0.00 C ATOM 162 C CYS A 12 57.079 8.655 -4.521 1.00 0.00 C ATOM 163 O CYS A 12 56.265 8.956 -3.671 1.00 0.00 O ATOM 164 CB CYS A 12 57.919 6.857 -3.004 1.00 0.00 C ATOM 165 SG CYS A 12 58.804 5.285 -3.146 1.00 0.00 S ATOM 0 H CYS A 12 59.562 8.817 -2.875 1.00 0.00 H new ATOM 0 HA CYS A 12 58.498 7.130 -5.062 1.00 0.00 H new ATOM 0 HB2 CYS A 12 58.187 7.354 -2.072 1.00 0.00 H new ATOM 0 HB3 CYS A 12 56.844 6.679 -2.973 1.00 0.00 H new ATOM 170 N ILE A 13 56.970 9.088 -5.747 1.00 0.00 N ATOM 171 CA ILE A 13 55.830 9.969 -6.128 1.00 0.00 C ATOM 172 C ILE A 13 54.694 9.112 -6.689 1.00 0.00 C ATOM 173 O ILE A 13 53.565 9.551 -6.794 1.00 0.00 O ATOM 174 CB ILE A 13 56.289 10.966 -7.193 1.00 0.00 C ATOM 175 CG1 ILE A 13 57.744 11.360 -6.929 1.00 0.00 C ATOM 176 CG2 ILE A 13 55.407 12.215 -7.140 1.00 0.00 C ATOM 177 CD1 ILE A 13 57.854 12.016 -5.551 1.00 0.00 C ATOM 0 H ILE A 13 57.621 8.870 -6.501 1.00 0.00 H new ATOM 0 HA ILE A 13 55.480 10.512 -5.250 1.00 0.00 H new ATOM 0 HB ILE A 13 56.208 10.506 -8.178 1.00 0.00 H new ATOM 0 HG12 ILE A 13 58.385 10.479 -6.976 1.00 0.00 H new ATOM 0 HG13 ILE A 13 58.091 12.048 -7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 13 55.735 12.925 -7.899 1.00 0.00 H new ATOM 0 HG22 ILE A 13 54.370 11.936 -7.328 1.00 0.00 H new ATOM 0 HG23 ILE A 13 55.487 12.675 -6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 13 58.890 12.296 -5.363 1.00 0.00 H new ATOM 0 HD12 ILE A 13 57.226 12.906 -5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 13 57.524 11.313 -4.786 1.00 0.00 H new ATOM 189 N SER A 14 54.983 7.893 -7.053 1.00 0.00 N ATOM 190 CA SER A 14 53.921 7.008 -7.608 1.00 0.00 C ATOM 191 C SER A 14 54.142 5.575 -7.117 1.00 0.00 C ATOM 192 O SER A 14 55.189 4.994 -7.320 1.00 0.00 O ATOM 193 CB SER A 14 53.981 7.038 -9.135 1.00 0.00 C ATOM 194 OG SER A 14 52.692 6.750 -9.661 1.00 0.00 O ATOM 0 H SER A 14 55.910 7.471 -6.990 1.00 0.00 H new ATOM 0 HA SER A 14 52.944 7.359 -7.275 1.00 0.00 H new ATOM 0 HB2 SER A 14 54.316 8.017 -9.478 1.00 0.00 H new ATOM 0 HB3 SER A 14 54.705 6.308 -9.496 1.00 0.00 H new ATOM 0 HG SER A 14 52.726 6.770 -10.640 1.00 0.00 H new ATOM 200 N TYR A 15 53.164 5.001 -6.472 1.00 0.00 N ATOM 201 CA TYR A 15 53.318 3.607 -5.969 1.00 0.00 C ATOM 202 C TYR A 15 52.774 2.626 -7.009 1.00 0.00 C ATOM 203 O TYR A 15 51.931 2.967 -7.815 1.00 0.00 O ATOM 204 CB TYR A 15 52.539 3.449 -4.662 1.00 0.00 C ATOM 205 CG TYR A 15 53.032 4.461 -3.656 1.00 0.00 C ATOM 206 CD1 TYR A 15 52.508 5.760 -3.656 1.00 0.00 C ATOM 207 CD2 TYR A 15 54.012 4.101 -2.723 1.00 0.00 C ATOM 208 CE1 TYR A 15 52.965 6.699 -2.724 1.00 0.00 C ATOM 209 CE2 TYR A 15 54.468 5.040 -1.790 1.00 0.00 C ATOM 210 CZ TYR A 15 53.945 6.339 -1.791 1.00 0.00 C ATOM 211 OH TYR A 15 54.395 7.264 -0.871 1.00 0.00 O ATOM 0 H TYR A 15 52.264 5.438 -6.271 1.00 0.00 H new ATOM 0 HA TYR A 15 54.373 3.399 -5.791 1.00 0.00 H new ATOM 0 HB2 TYR A 15 51.473 3.589 -4.842 1.00 0.00 H new ATOM 0 HB3 TYR A 15 52.666 2.440 -4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 15 51.751 6.037 -4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 15 54.416 3.099 -2.723 1.00 0.00 H new ATOM 0 HE1 TYR A 15 52.562 7.701 -2.725 1.00 0.00 H new ATOM 0 HE2 TYR A 15 55.223 4.762 -1.069 1.00 0.00 H new ATOM 0 HH TYR A 15 55.372 7.321 -0.916 1.00 0.00 H new ATOM 221 N THR A 16 53.247 1.410 -6.998 1.00 0.00 N ATOM 222 CA THR A 16 52.753 0.412 -7.987 1.00 0.00 C ATOM 223 C THR A 16 51.468 -0.236 -7.456 1.00 0.00 C ATOM 224 O THR A 16 51.399 -0.606 -6.301 1.00 0.00 O ATOM 225 CB THR A 16 53.818 -0.668 -8.196 1.00 0.00 C ATOM 226 OG1 THR A 16 53.473 -1.459 -9.324 1.00 0.00 O ATOM 227 CG2 THR A 16 53.898 -1.556 -6.953 1.00 0.00 C ATOM 0 H THR A 16 53.953 1.065 -6.348 1.00 0.00 H new ATOM 0 HA THR A 16 52.547 0.909 -8.935 1.00 0.00 H new ATOM 0 HB THR A 16 54.786 -0.196 -8.365 1.00 0.00 H new ATOM 0 HG1 THR A 16 54.155 -2.150 -9.460 1.00 0.00 H new ATOM 0 HG21 THR A 16 54.656 -2.324 -7.103 1.00 0.00 H new ATOM 0 HG22 THR A 16 54.163 -0.948 -6.088 1.00 0.00 H new ATOM 0 HG23 THR A 16 52.931 -2.029 -6.781 1.00 0.00 H new ATOM 235 N PRO A 17 50.485 -0.353 -8.315 1.00 0.00 N ATOM 236 CA PRO A 17 49.188 -0.953 -7.956 1.00 0.00 C ATOM 237 C PRO A 17 49.292 -2.481 -7.945 1.00 0.00 C ATOM 238 O PRO A 17 48.607 -3.164 -8.680 1.00 0.00 O ATOM 239 CB PRO A 17 48.253 -0.481 -9.072 1.00 0.00 C ATOM 240 CG PRO A 17 49.156 -0.133 -10.280 1.00 0.00 C ATOM 241 CD PRO A 17 50.572 0.100 -9.719 1.00 0.00 C ATOM 0 HA PRO A 17 48.842 -0.663 -6.964 1.00 0.00 H new ATOM 0 HB2 PRO A 17 47.537 -1.260 -9.334 1.00 0.00 H new ATOM 0 HB3 PRO A 17 47.677 0.388 -8.755 1.00 0.00 H new ATOM 0 HG2 PRO A 17 49.157 -0.943 -11.009 1.00 0.00 H new ATOM 0 HG3 PRO A 17 48.791 0.757 -10.793 1.00 0.00 H new ATOM 0 HD2 PRO A 17 51.319 -0.467 -10.275 1.00 0.00 H new ATOM 0 HD3 PRO A 17 50.857 1.150 -9.782 1.00 0.00 H new ATOM 249 N ARG A 18 50.143 -3.024 -7.117 1.00 0.00 N ATOM 250 CA ARG A 18 50.288 -4.506 -7.065 1.00 0.00 C ATOM 251 C ARG A 18 50.864 -4.920 -5.710 1.00 0.00 C ATOM 252 O ARG A 18 51.883 -4.418 -5.278 1.00 0.00 O ATOM 253 CB ARG A 18 51.231 -4.966 -8.179 1.00 0.00 C ATOM 254 CG ARG A 18 50.700 -4.482 -9.530 1.00 0.00 C ATOM 255 CD ARG A 18 51.477 -5.162 -10.657 1.00 0.00 C ATOM 256 NE ARG A 18 51.154 -6.616 -10.675 1.00 0.00 N ATOM 257 CZ ARG A 18 51.769 -7.410 -11.508 1.00 0.00 C ATOM 258 NH1 ARG A 18 52.264 -6.934 -12.618 1.00 0.00 N ATOM 259 NH2 ARG A 18 51.889 -8.680 -11.232 1.00 0.00 N ATOM 0 H ARG A 18 50.743 -2.506 -6.475 1.00 0.00 H new ATOM 0 HA ARG A 18 49.310 -4.968 -7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 18 52.233 -4.572 -8.008 1.00 0.00 H new ATOM 0 HB3 ARG A 18 51.311 -6.053 -8.176 1.00 0.00 H new ATOM 0 HG2 ARG A 18 49.638 -4.710 -9.618 1.00 0.00 H new ATOM 0 HG3 ARG A 18 50.801 -3.399 -9.606 1.00 0.00 H new ATOM 0 HD2 ARG A 18 51.220 -4.710 -11.615 1.00 0.00 H new ATOM 0 HD3 ARG A 18 52.548 -5.018 -10.513 1.00 0.00 H new ATOM 0 HE ARG A 18 50.452 -6.991 -10.036 1.00 0.00 H new ATOM 0 HH11 ARG A 18 52.170 -5.942 -12.834 1.00 0.00 H new ATOM 0 HH12 ARG A 18 52.745 -7.554 -13.269 1.00 0.00 H new ATOM 0 HH21 ARG A 18 51.502 -9.052 -10.365 1.00 0.00 H new ATOM 0 HH22 ARG A 18 52.370 -9.300 -11.884 1.00 0.00 H new ATOM 273 N SER A 19 50.220 -5.834 -5.036 1.00 0.00 N ATOM 274 CA SER A 19 50.732 -6.281 -3.710 1.00 0.00 C ATOM 275 C SER A 19 51.643 -7.495 -3.902 1.00 0.00 C ATOM 276 O SER A 19 51.221 -8.532 -4.374 1.00 0.00 O ATOM 277 CB SER A 19 49.555 -6.664 -2.812 1.00 0.00 C ATOM 278 OG SER A 19 48.705 -7.564 -3.510 1.00 0.00 O ATOM 0 H SER A 19 49.362 -6.290 -5.346 1.00 0.00 H new ATOM 0 HA SER A 19 51.295 -5.472 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 19 49.918 -7.127 -1.894 1.00 0.00 H new ATOM 0 HB3 SER A 19 48.999 -5.772 -2.521 1.00 0.00 H new ATOM 0 HG SER A 19 49.236 -8.092 -4.142 1.00 0.00 H new ATOM 284 N ILE A 20 52.891 -7.375 -3.540 1.00 0.00 N ATOM 285 CA ILE A 20 53.828 -8.523 -3.703 1.00 0.00 C ATOM 286 C ILE A 20 54.188 -9.087 -2.323 1.00 0.00 C ATOM 287 O ILE A 20 54.351 -8.342 -1.377 1.00 0.00 O ATOM 288 CB ILE A 20 55.098 -8.044 -4.408 1.00 0.00 C ATOM 289 CG1 ILE A 20 54.759 -7.634 -5.843 1.00 0.00 C ATOM 290 CG2 ILE A 20 56.130 -9.174 -4.434 1.00 0.00 C ATOM 291 CD1 ILE A 20 55.819 -6.660 -6.361 1.00 0.00 C ATOM 0 H ILE A 20 53.302 -6.532 -3.139 1.00 0.00 H new ATOM 0 HA ILE A 20 53.353 -9.302 -4.300 1.00 0.00 H new ATOM 0 HB ILE A 20 55.510 -7.190 -3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 20 54.716 -8.515 -6.483 1.00 0.00 H new ATOM 0 HG13 ILE A 20 53.774 -7.167 -5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 20 57.034 -8.830 -4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 20 56.373 -9.469 -3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 20 55.720 -10.029 -4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 20 55.577 -6.369 -7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 20 55.840 -5.774 -5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 20 56.796 -7.143 -6.343 1.00 0.00 H new ATOM 303 N PRO A 21 54.303 -10.390 -2.251 1.00 0.00 N ATOM 304 CA PRO A 21 54.644 -11.088 -0.999 1.00 0.00 C ATOM 305 C PRO A 21 56.146 -10.983 -0.720 1.00 0.00 C ATOM 306 O PRO A 21 56.938 -10.747 -1.611 1.00 0.00 O ATOM 307 CB PRO A 21 54.240 -12.538 -1.275 1.00 0.00 C ATOM 308 CG PRO A 21 54.230 -12.703 -2.813 1.00 0.00 C ATOM 309 CD PRO A 21 54.103 -11.288 -3.407 1.00 0.00 C ATOM 0 HA PRO A 21 54.144 -10.670 -0.125 1.00 0.00 H new ATOM 0 HB2 PRO A 21 54.944 -13.232 -0.815 1.00 0.00 H new ATOM 0 HB3 PRO A 21 53.258 -12.754 -0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 21 55.144 -13.187 -3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 21 53.398 -13.332 -3.130 1.00 0.00 H new ATOM 0 HD2 PRO A 21 54.850 -11.113 -4.181 1.00 0.00 H new ATOM 0 HD3 PRO A 21 53.126 -11.135 -3.866 1.00 0.00 H new ATOM 317 N CYS A 22 56.545 -11.158 0.511 1.00 0.00 N ATOM 318 CA CYS A 22 57.990 -11.070 0.846 1.00 0.00 C ATOM 319 C CYS A 22 58.759 -12.142 0.071 1.00 0.00 C ATOM 320 O CYS A 22 59.915 -11.973 -0.261 1.00 0.00 O ATOM 321 CB CYS A 22 58.173 -11.291 2.347 1.00 0.00 C ATOM 322 SG CYS A 22 56.934 -10.334 3.257 1.00 0.00 S ATOM 0 H CYS A 22 55.929 -11.358 1.299 1.00 0.00 H new ATOM 0 HA CYS A 22 58.371 -10.086 0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 22 58.075 -12.350 2.584 1.00 0.00 H new ATOM 0 HB3 CYS A 22 59.175 -10.988 2.650 1.00 0.00 H new ATOM 327 N SER A 23 58.126 -13.246 -0.220 1.00 0.00 N ATOM 328 CA SER A 23 58.822 -14.327 -0.973 1.00 0.00 C ATOM 329 C SER A 23 59.293 -13.781 -2.322 1.00 0.00 C ATOM 330 O SER A 23 60.190 -14.318 -2.941 1.00 0.00 O ATOM 331 CB SER A 23 57.858 -15.492 -1.203 1.00 0.00 C ATOM 332 OG SER A 23 58.123 -16.515 -0.253 1.00 0.00 O ATOM 0 H SER A 23 57.158 -13.446 0.031 1.00 0.00 H new ATOM 0 HA SER A 23 59.681 -14.676 -0.400 1.00 0.00 H new ATOM 0 HB2 SER A 23 56.827 -15.150 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 23 57.974 -15.881 -2.215 1.00 0.00 H new ATOM 0 HG SER A 23 57.506 -17.263 -0.396 1.00 0.00 H new ATOM 338 N LEU A 24 58.696 -12.715 -2.782 1.00 0.00 N ATOM 339 CA LEU A 24 59.110 -12.133 -4.089 1.00 0.00 C ATOM 340 C LEU A 24 59.860 -10.821 -3.847 1.00 0.00 C ATOM 341 O LEU A 24 59.884 -9.945 -4.689 1.00 0.00 O ATOM 342 CB LEU A 24 57.869 -11.862 -4.942 1.00 0.00 C ATOM 343 CG LEU A 24 58.026 -12.542 -6.303 1.00 0.00 C ATOM 344 CD1 LEU A 24 57.933 -14.059 -6.130 1.00 0.00 C ATOM 345 CD2 LEU A 24 56.912 -12.068 -7.240 1.00 0.00 C ATOM 0 H LEU A 24 57.939 -12.222 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 24 59.762 -12.834 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 24 56.979 -12.237 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 24 57.733 -10.789 -5.074 1.00 0.00 H new ATOM 0 HG LEU A 24 58.996 -12.284 -6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 24 58.045 -14.543 -7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 24 58.724 -14.398 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 24 56.963 -14.318 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 24 57.022 -12.552 -8.211 1.00 0.00 H new ATOM 0 HD22 LEU A 24 55.943 -12.327 -6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 24 56.976 -10.987 -7.364 1.00 0.00 H new ATOM 357 N LEU A 25 60.472 -10.679 -2.703 1.00 0.00 N ATOM 358 CA LEU A 25 61.218 -9.423 -2.409 1.00 0.00 C ATOM 359 C LEU A 25 62.562 -9.768 -1.763 1.00 0.00 C ATOM 360 O LEU A 25 62.713 -10.795 -1.132 1.00 0.00 O ATOM 361 CB LEU A 25 60.399 -8.555 -1.452 1.00 0.00 C ATOM 362 CG LEU A 25 59.143 -8.053 -2.167 1.00 0.00 C ATOM 363 CD1 LEU A 25 58.033 -7.813 -1.143 1.00 0.00 C ATOM 364 CD2 LEU A 25 59.459 -6.743 -2.892 1.00 0.00 C ATOM 0 H LEU A 25 60.488 -11.378 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 25 61.390 -8.877 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 25 60.122 -9.131 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 25 60.997 -7.711 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 25 58.814 -8.800 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 25 57.139 -7.455 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 25 57.807 -8.746 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 25 58.361 -7.067 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 25 58.565 -6.384 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 25 59.788 -5.997 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 25 60.250 -6.913 -3.623 1.00 0.00 H new ATOM 376 N GLU A 26 63.540 -8.918 -1.917 1.00 0.00 N ATOM 377 CA GLU A 26 64.873 -9.198 -1.314 1.00 0.00 C ATOM 378 C GLU A 26 65.129 -8.221 -0.164 1.00 0.00 C ATOM 379 O GLU A 26 65.744 -8.562 0.827 1.00 0.00 O ATOM 380 CB GLU A 26 65.959 -9.030 -2.378 1.00 0.00 C ATOM 381 CG GLU A 26 67.330 -9.298 -1.757 1.00 0.00 C ATOM 382 CD GLU A 26 68.214 -10.032 -2.767 1.00 0.00 C ATOM 383 OE1 GLU A 26 67.705 -10.915 -3.437 1.00 0.00 O ATOM 384 OE2 GLU A 26 69.384 -9.697 -2.854 1.00 0.00 O ATOM 0 H GLU A 26 63.473 -8.042 -2.435 1.00 0.00 H new ATOM 0 HA GLU A 26 64.892 -10.219 -0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 26 65.782 -9.718 -3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 26 65.926 -8.021 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 26 67.798 -8.358 -1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 26 67.220 -9.896 -0.852 1.00 0.00 H new ATOM 391 N SER A 27 64.664 -7.008 -0.288 1.00 0.00 N ATOM 392 CA SER A 27 64.883 -6.013 0.799 1.00 0.00 C ATOM 393 C SER A 27 64.026 -4.773 0.535 1.00 0.00 C ATOM 394 O SER A 27 63.223 -4.744 -0.376 1.00 0.00 O ATOM 395 CB SER A 27 66.359 -5.615 0.835 1.00 0.00 C ATOM 396 OG SER A 27 66.540 -4.415 0.095 1.00 0.00 O ATOM 0 H SER A 27 64.143 -6.664 -1.094 1.00 0.00 H new ATOM 0 HA SER A 27 64.602 -6.452 1.756 1.00 0.00 H new ATOM 0 HB2 SER A 27 66.684 -5.473 1.866 1.00 0.00 H new ATOM 0 HB3 SER A 27 66.973 -6.411 0.414 1.00 0.00 H new ATOM 0 HG SER A 27 67.485 -4.156 0.117 1.00 0.00 H new ATOM 402 N TYR A 28 64.190 -3.748 1.327 1.00 0.00 N ATOM 403 CA TYR A 28 63.384 -2.512 1.121 1.00 0.00 C ATOM 404 C TYR A 28 63.937 -1.390 2.003 1.00 0.00 C ATOM 405 O TYR A 28 64.768 -1.614 2.861 1.00 0.00 O ATOM 406 CB TYR A 28 61.927 -2.786 1.498 1.00 0.00 C ATOM 407 CG TYR A 28 61.817 -2.957 2.994 1.00 0.00 C ATOM 408 CD1 TYR A 28 62.360 -4.091 3.610 1.00 0.00 C ATOM 409 CD2 TYR A 28 61.174 -1.982 3.765 1.00 0.00 C ATOM 410 CE1 TYR A 28 62.259 -4.249 4.998 1.00 0.00 C ATOM 411 CE2 TYR A 28 61.073 -2.140 5.152 1.00 0.00 C ATOM 412 CZ TYR A 28 61.616 -3.274 5.769 1.00 0.00 C ATOM 413 OH TYR A 28 61.517 -3.429 7.136 1.00 0.00 O ATOM 0 H TYR A 28 64.847 -3.714 2.107 1.00 0.00 H new ATOM 0 HA TYR A 28 63.439 -2.212 0.075 1.00 0.00 H new ATOM 0 HB2 TYR A 28 61.294 -1.962 1.168 1.00 0.00 H new ATOM 0 HB3 TYR A 28 61.572 -3.684 0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 28 62.856 -4.843 3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 28 60.756 -1.107 3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 28 62.678 -5.124 5.474 1.00 0.00 H new ATOM 0 HE2 TYR A 28 60.576 -1.387 5.746 1.00 0.00 H new ATOM 0 HH TYR A 28 61.154 -4.316 7.339 1.00 0.00 H new ATOM 423 N PHE A 29 63.483 -0.183 1.799 1.00 0.00 N ATOM 424 CA PHE A 29 63.983 0.951 2.626 1.00 0.00 C ATOM 425 C PHE A 29 63.031 2.141 2.491 1.00 0.00 C ATOM 426 O PHE A 29 62.010 2.060 1.836 1.00 0.00 O ATOM 427 CB PHE A 29 65.377 1.357 2.144 1.00 0.00 C ATOM 428 CG PHE A 29 65.377 1.470 0.639 1.00 0.00 C ATOM 429 CD1 PHE A 29 65.454 0.316 -0.150 1.00 0.00 C ATOM 430 CD2 PHE A 29 65.299 2.729 0.031 1.00 0.00 C ATOM 431 CE1 PHE A 29 65.454 0.421 -1.546 1.00 0.00 C ATOM 432 CE2 PHE A 29 65.299 2.834 -1.365 1.00 0.00 C ATOM 433 CZ PHE A 29 65.377 1.679 -2.154 1.00 0.00 C ATOM 0 H PHE A 29 62.788 0.066 1.096 1.00 0.00 H new ATOM 0 HA PHE A 29 64.034 0.644 3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 29 65.665 2.309 2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 29 66.113 0.619 2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 29 65.513 -0.655 0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 29 65.239 3.619 0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 29 65.513 -0.470 -2.154 1.00 0.00 H new ATOM 0 HE2 PHE A 29 65.239 3.805 -1.834 1.00 0.00 H new ATOM 0 HZ PHE A 29 65.378 1.759 -3.231 1.00 0.00 H new ATOM 443 N GLU A 30 63.355 3.245 3.105 1.00 0.00 N ATOM 444 CA GLU A 30 62.468 4.439 3.011 1.00 0.00 C ATOM 445 C GLU A 30 63.107 5.477 2.087 1.00 0.00 C ATOM 446 O GLU A 30 64.313 5.619 2.038 1.00 0.00 O ATOM 447 CB GLU A 30 62.277 5.044 4.403 1.00 0.00 C ATOM 448 CG GLU A 30 61.985 3.930 5.410 1.00 0.00 C ATOM 449 CD GLU A 30 60.852 3.049 4.882 1.00 0.00 C ATOM 450 OE1 GLU A 30 59.705 3.436 5.037 1.00 0.00 O ATOM 451 OE2 GLU A 30 61.149 2.001 4.332 1.00 0.00 O ATOM 0 H GLU A 30 64.196 3.372 3.668 1.00 0.00 H new ATOM 0 HA GLU A 30 61.500 4.141 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 30 63.172 5.591 4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 30 61.456 5.761 4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 30 62.880 3.330 5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 30 61.708 4.359 6.373 1.00 0.00 H new ATOM 458 N THR A 31 62.309 6.204 1.354 1.00 0.00 N ATOM 459 CA THR A 31 62.874 7.232 0.436 1.00 0.00 C ATOM 460 C THR A 31 63.503 8.359 1.258 1.00 0.00 C ATOM 461 O THR A 31 63.588 8.284 2.468 1.00 0.00 O ATOM 462 CB THR A 31 61.756 7.802 -0.441 1.00 0.00 C ATOM 463 OG1 THR A 31 60.639 8.131 0.373 1.00 0.00 O ATOM 464 CG2 THR A 31 61.342 6.763 -1.483 1.00 0.00 C ATOM 0 H THR A 31 61.292 6.131 1.351 1.00 0.00 H new ATOM 0 HA THR A 31 63.635 6.776 -0.197 1.00 0.00 H new ATOM 0 HB THR A 31 62.113 8.698 -0.948 1.00 0.00 H new ATOM 0 HG1 THR A 31 60.858 8.906 0.931 1.00 0.00 H new ATOM 0 HG21 THR A 31 60.546 7.170 -2.107 1.00 0.00 H new ATOM 0 HG22 THR A 31 62.200 6.512 -2.107 1.00 0.00 H new ATOM 0 HG23 THR A 31 60.985 5.865 -0.979 1.00 0.00 H new ATOM 472 N ASN A 32 63.947 9.402 0.612 1.00 0.00 N ATOM 473 CA ASN A 32 64.571 10.530 1.358 1.00 0.00 C ATOM 474 C ASN A 32 63.486 11.316 2.097 1.00 0.00 C ATOM 475 O ASN A 32 62.477 11.684 1.530 1.00 0.00 O ATOM 476 CB ASN A 32 65.292 11.455 0.375 1.00 0.00 C ATOM 477 CG ASN A 32 66.724 11.695 0.857 1.00 0.00 C ATOM 478 OD1 ASN A 32 67.193 12.816 0.870 1.00 0.00 O ATOM 479 ND2 ASN A 32 67.442 10.682 1.259 1.00 0.00 N ATOM 0 H ASN A 32 63.904 9.521 -0.400 1.00 0.00 H new ATOM 0 HA ASN A 32 65.288 10.136 2.079 1.00 0.00 H new ATOM 0 HB2 ASN A 32 65.302 11.010 -0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 32 64.760 12.403 0.295 1.00 0.00 H new ATOM 0 HD21 ASN A 32 68.397 10.831 1.584 1.00 0.00 H new ATOM 0 HD22 ASN A 32 67.048 9.741 1.248 1.00 0.00 H new ATOM 486 N SER A 33 63.686 11.576 3.360 1.00 0.00 N ATOM 487 CA SER A 33 62.667 12.338 4.135 1.00 0.00 C ATOM 488 C SER A 33 62.547 13.753 3.567 1.00 0.00 C ATOM 489 O SER A 33 61.528 14.402 3.700 1.00 0.00 O ATOM 490 CB SER A 33 63.092 12.411 5.602 1.00 0.00 C ATOM 491 OG SER A 33 64.290 13.168 5.706 1.00 0.00 O ATOM 0 H SER A 33 64.511 11.294 3.889 1.00 0.00 H new ATOM 0 HA SER A 33 61.703 11.835 4.061 1.00 0.00 H new ATOM 0 HB2 SER A 33 62.304 12.871 6.198 1.00 0.00 H new ATOM 0 HB3 SER A 33 63.247 11.407 5.998 1.00 0.00 H new ATOM 0 HG SER A 33 64.565 13.218 6.645 1.00 0.00 H new ATOM 497 N GLU A 34 63.581 14.239 2.936 1.00 0.00 N ATOM 498 CA GLU A 34 63.526 15.612 2.360 1.00 0.00 C ATOM 499 C GLU A 34 62.329 15.720 1.414 1.00 0.00 C ATOM 500 O GLU A 34 61.837 16.797 1.141 1.00 0.00 O ATOM 501 CB GLU A 34 64.815 15.891 1.584 1.00 0.00 C ATOM 502 CG GLU A 34 65.853 16.508 2.524 1.00 0.00 C ATOM 503 CD GLU A 34 65.483 17.964 2.808 1.00 0.00 C ATOM 504 OE1 GLU A 34 65.464 18.744 1.869 1.00 0.00 O ATOM 505 OE2 GLU A 34 65.225 18.276 3.959 1.00 0.00 O ATOM 0 H GLU A 34 64.462 13.744 2.795 1.00 0.00 H new ATOM 0 HA GLU A 34 63.421 16.340 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 34 65.201 14.966 1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 34 64.613 16.568 0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 34 65.896 15.944 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 34 66.844 16.455 2.074 1.00 0.00 H new ATOM 512 N CYS A 35 61.856 14.613 0.910 1.00 0.00 N ATOM 513 CA CYS A 35 60.692 14.655 -0.018 1.00 0.00 C ATOM 514 C CYS A 35 59.394 14.718 0.790 1.00 0.00 C ATOM 515 O CYS A 35 59.094 13.836 1.570 1.00 0.00 O ATOM 516 CB CYS A 35 60.688 13.397 -0.888 1.00 0.00 C ATOM 517 SG CYS A 35 61.788 13.639 -2.305 1.00 0.00 S ATOM 0 H CYS A 35 62.226 13.682 1.101 1.00 0.00 H new ATOM 0 HA CYS A 35 60.768 15.538 -0.653 1.00 0.00 H new ATOM 0 HB2 CYS A 35 61.014 12.537 -0.304 1.00 0.00 H new ATOM 0 HB3 CYS A 35 59.676 13.183 -1.232 1.00 0.00 H new ATOM 522 N SER A 36 58.621 15.753 0.608 1.00 0.00 N ATOM 523 CA SER A 36 57.343 15.868 1.365 1.00 0.00 C ATOM 524 C SER A 36 56.498 14.616 1.126 1.00 0.00 C ATOM 525 O SER A 36 55.598 14.308 1.881 1.00 0.00 O ATOM 526 CB SER A 36 56.576 17.101 0.886 1.00 0.00 C ATOM 527 OG SER A 36 56.108 16.877 -0.437 1.00 0.00 O ATOM 0 H SER A 36 58.819 16.523 -0.031 1.00 0.00 H new ATOM 0 HA SER A 36 57.557 15.965 2.429 1.00 0.00 H new ATOM 0 HB2 SER A 36 55.737 17.303 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 36 57.222 17.978 0.912 1.00 0.00 H new ATOM 0 HG SER A 36 55.614 17.665 -0.747 1.00 0.00 H new ATOM 533 N LYS A 37 56.783 13.890 0.079 1.00 0.00 N ATOM 534 CA LYS A 37 55.998 12.656 -0.208 1.00 0.00 C ATOM 535 C LYS A 37 56.928 11.440 -0.166 1.00 0.00 C ATOM 536 O LYS A 37 57.432 11.011 -1.185 1.00 0.00 O ATOM 537 CB LYS A 37 55.364 12.765 -1.597 1.00 0.00 C ATOM 538 CG LYS A 37 53.991 13.430 -1.481 1.00 0.00 C ATOM 539 CD LYS A 37 52.911 12.458 -1.962 1.00 0.00 C ATOM 540 CE LYS A 37 51.695 13.247 -2.453 1.00 0.00 C ATOM 541 NZ LYS A 37 51.251 14.189 -1.387 1.00 0.00 N ATOM 0 H LYS A 37 57.525 14.098 -0.589 1.00 0.00 H new ATOM 0 HA LYS A 37 55.214 12.541 0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 37 56.007 13.347 -2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 37 55.264 11.775 -2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 37 53.801 13.719 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 37 53.966 14.342 -2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 37 53.301 11.833 -2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 37 52.621 11.790 -1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 37 51.947 13.799 -3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 37 50.885 12.565 -2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 50.276 14.497 -1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 51.287 13.711 -0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 51.879 15.018 -1.372 1.00 0.00 H new ATOM 555 N PRO A 38 57.129 10.923 1.019 1.00 0.00 N ATOM 556 CA PRO A 38 57.996 9.752 1.239 1.00 0.00 C ATOM 557 C PRO A 38 57.267 8.465 0.841 1.00 0.00 C ATOM 558 O PRO A 38 56.139 8.493 0.391 1.00 0.00 O ATOM 559 CB PRO A 38 58.266 9.785 2.746 1.00 0.00 C ATOM 560 CG PRO A 38 57.113 10.601 3.378 1.00 0.00 C ATOM 561 CD PRO A 38 56.509 11.457 2.250 1.00 0.00 C ATOM 0 HA PRO A 38 58.911 9.777 0.647 1.00 0.00 H new ATOM 0 HB2 PRO A 38 58.299 8.776 3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 38 59.230 10.247 2.958 1.00 0.00 H new ATOM 0 HG2 PRO A 38 56.361 9.940 3.808 1.00 0.00 H new ATOM 0 HG3 PRO A 38 57.483 11.231 4.187 1.00 0.00 H new ATOM 0 HD2 PRO A 38 55.423 11.368 2.220 1.00 0.00 H new ATOM 0 HD3 PRO A 38 56.738 12.514 2.385 1.00 0.00 H new ATOM 569 N GLY A 39 57.904 7.337 1.002 1.00 0.00 N ATOM 570 CA GLY A 39 57.256 6.057 0.637 1.00 0.00 C ATOM 571 C GLY A 39 58.194 4.894 0.963 1.00 0.00 C ATOM 572 O GLY A 39 59.264 5.081 1.508 1.00 0.00 O ATOM 0 H GLY A 39 58.850 7.252 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 39 56.318 5.944 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 39 57.010 6.052 -0.425 1.00 0.00 H new ATOM 576 N VAL A 40 57.802 3.694 0.634 1.00 0.00 N ATOM 577 CA VAL A 40 58.671 2.519 0.927 1.00 0.00 C ATOM 578 C VAL A 40 59.145 1.894 -0.387 1.00 0.00 C ATOM 579 O VAL A 40 58.352 1.498 -1.218 1.00 0.00 O ATOM 580 CB VAL A 40 57.877 1.484 1.725 1.00 0.00 C ATOM 581 CG1 VAL A 40 58.835 0.443 2.307 1.00 0.00 C ATOM 582 CG2 VAL A 40 57.132 2.183 2.865 1.00 0.00 C ATOM 0 H VAL A 40 56.918 3.476 0.175 1.00 0.00 H new ATOM 0 HA VAL A 40 59.535 2.843 1.508 1.00 0.00 H new ATOM 0 HB VAL A 40 57.160 0.991 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 40 58.269 -0.295 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 40 59.368 -0.055 1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 40 59.552 0.935 2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 40 56.565 1.447 3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 40 57.850 2.675 3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 40 56.449 2.926 2.452 1.00 0.00 H new ATOM 592 N ILE A 41 60.432 1.799 -0.580 1.00 0.00 N ATOM 593 CA ILE A 41 60.954 1.196 -1.839 1.00 0.00 C ATOM 594 C ILE A 41 61.282 -0.279 -1.597 1.00 0.00 C ATOM 595 O ILE A 41 62.158 -0.612 -0.824 1.00 0.00 O ATOM 596 CB ILE A 41 62.221 1.936 -2.273 1.00 0.00 C ATOM 597 CG1 ILE A 41 61.862 3.368 -2.676 1.00 0.00 C ATOM 598 CG2 ILE A 41 62.850 1.214 -3.465 1.00 0.00 C ATOM 599 CD1 ILE A 41 63.088 4.050 -3.285 1.00 0.00 C ATOM 0 H ILE A 41 61.144 2.113 0.079 1.00 0.00 H new ATOM 0 HA ILE A 41 60.200 1.278 -2.622 1.00 0.00 H new ATOM 0 HB ILE A 41 62.930 1.958 -1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 41 61.043 3.360 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 41 61.517 3.926 -1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 41 63.753 1.741 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 41 63.105 0.194 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 41 62.141 1.192 -4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 41 62.832 5.070 -3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 41 63.894 4.071 -2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 41 63.413 3.496 -4.166 1.00 0.00 H new ATOM 611 N PHE A 42 60.583 -1.167 -2.251 1.00 0.00 N ATOM 612 CA PHE A 42 60.854 -2.619 -2.056 1.00 0.00 C ATOM 613 C PHE A 42 61.729 -3.137 -3.199 1.00 0.00 C ATOM 614 O PHE A 42 61.482 -2.861 -4.357 1.00 0.00 O ATOM 615 CB PHE A 42 59.530 -3.386 -2.042 1.00 0.00 C ATOM 616 CG PHE A 42 58.991 -3.435 -0.632 1.00 0.00 C ATOM 617 CD1 PHE A 42 58.382 -2.303 -0.076 1.00 0.00 C ATOM 618 CD2 PHE A 42 59.100 -4.611 0.118 1.00 0.00 C ATOM 619 CE1 PHE A 42 57.882 -2.349 1.231 1.00 0.00 C ATOM 620 CE2 PHE A 42 58.600 -4.657 1.425 1.00 0.00 C ATOM 621 CZ PHE A 42 57.991 -3.526 1.982 1.00 0.00 C ATOM 0 H PHE A 42 59.837 -0.949 -2.911 1.00 0.00 H new ATOM 0 HA PHE A 42 61.372 -2.766 -1.108 1.00 0.00 H new ATOM 0 HB2 PHE A 42 58.810 -2.901 -2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.679 -4.397 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 42 58.298 -1.395 -0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 42 59.570 -5.484 -0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 42 57.412 -1.476 1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 42 58.684 -5.565 2.004 1.00 0.00 H new ATOM 0 HZ PHE A 42 57.606 -3.561 2.990 1.00 0.00 H new ATOM 631 N LEU A 43 62.749 -3.887 -2.884 1.00 0.00 N ATOM 632 CA LEU A 43 63.637 -4.424 -3.953 1.00 0.00 C ATOM 633 C LEU A 43 63.297 -5.895 -4.203 1.00 0.00 C ATOM 634 O LEU A 43 63.147 -6.673 -3.282 1.00 0.00 O ATOM 635 CB LEU A 43 65.096 -4.307 -3.508 1.00 0.00 C ATOM 636 CG LEU A 43 66.014 -4.469 -4.721 1.00 0.00 C ATOM 637 CD1 LEU A 43 67.001 -3.301 -4.775 1.00 0.00 C ATOM 638 CD2 LEU A 43 66.788 -5.783 -4.603 1.00 0.00 C ATOM 0 H LEU A 43 63.006 -4.151 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 43 63.490 -3.855 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.267 -3.339 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 43 65.322 -5.070 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 43 65.414 -4.480 -5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 43 67.655 -3.417 -5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 43 66.451 -2.364 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 43 67.601 -3.289 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 43 67.442 -5.899 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 43 67.388 -5.772 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 43 66.086 -6.616 -4.565 1.00 0.00 H new ATOM 650 N THR A 44 63.170 -6.282 -5.443 1.00 0.00 N ATOM 651 CA THR A 44 62.837 -7.702 -5.749 1.00 0.00 C ATOM 652 C THR A 44 64.125 -8.483 -6.017 1.00 0.00 C ATOM 653 O THR A 44 65.193 -7.916 -6.138 1.00 0.00 O ATOM 654 CB THR A 44 61.940 -7.758 -6.988 1.00 0.00 C ATOM 655 OG1 THR A 44 62.556 -7.041 -8.048 1.00 0.00 O ATOM 656 CG2 THR A 44 60.583 -7.132 -6.666 1.00 0.00 C ATOM 0 H THR A 44 63.282 -5.677 -6.256 1.00 0.00 H new ATOM 0 HA THR A 44 62.315 -8.144 -4.900 1.00 0.00 H new ATOM 0 HB THR A 44 61.796 -8.796 -7.287 1.00 0.00 H new ATOM 0 HG1 THR A 44 62.899 -7.673 -8.714 1.00 0.00 H new ATOM 0 HG21 THR A 44 59.945 -7.172 -7.549 1.00 0.00 H new ATOM 0 HG22 THR A 44 60.112 -7.683 -5.852 1.00 0.00 H new ATOM 0 HG23 THR A 44 60.723 -6.093 -6.367 1.00 0.00 H new ATOM 664 N LYS A 45 64.033 -9.781 -6.114 1.00 0.00 N ATOM 665 CA LYS A 45 65.251 -10.597 -6.378 1.00 0.00 C ATOM 666 C LYS A 45 65.624 -10.494 -7.859 1.00 0.00 C ATOM 667 O LYS A 45 66.569 -11.107 -8.315 1.00 0.00 O ATOM 668 CB LYS A 45 64.973 -12.060 -6.023 1.00 0.00 C ATOM 669 CG LYS A 45 66.285 -12.846 -6.032 1.00 0.00 C ATOM 670 CD LYS A 45 66.333 -13.744 -7.270 1.00 0.00 C ATOM 671 CE LYS A 45 67.779 -14.160 -7.544 1.00 0.00 C ATOM 672 NZ LYS A 45 67.977 -14.331 -9.011 1.00 0.00 N ATOM 0 H LYS A 45 63.167 -10.312 -6.022 1.00 0.00 H new ATOM 0 HA LYS A 45 66.075 -10.226 -5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 45 64.505 -12.124 -5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 45 64.273 -12.492 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 45 67.132 -12.160 -6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 45 66.366 -13.450 -5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 45 65.713 -14.627 -7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 45 65.926 -13.215 -8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 45 68.465 -13.405 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 45 68.005 -15.091 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 68.960 -14.614 -9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 67.332 -15.066 -9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 67.777 -13.433 -9.495 1.00 0.00 H new ATOM 686 N LYS A 46 64.890 -9.721 -8.615 1.00 0.00 N ATOM 687 CA LYS A 46 65.203 -9.579 -10.064 1.00 0.00 C ATOM 688 C LYS A 46 65.829 -8.206 -10.314 1.00 0.00 C ATOM 689 O LYS A 46 65.697 -7.635 -11.378 1.00 0.00 O ATOM 690 CB LYS A 46 63.914 -9.708 -10.879 1.00 0.00 C ATOM 691 CG LYS A 46 64.249 -10.187 -12.293 1.00 0.00 C ATOM 692 CD LYS A 46 63.000 -10.795 -12.935 1.00 0.00 C ATOM 693 CE LYS A 46 63.165 -12.312 -13.035 1.00 0.00 C ATOM 694 NZ LYS A 46 61.903 -12.980 -12.609 1.00 0.00 N ATOM 0 H LYS A 46 64.087 -9.182 -8.290 1.00 0.00 H new ATOM 0 HA LYS A 46 65.902 -10.359 -10.365 1.00 0.00 H new ATOM 0 HB2 LYS A 46 63.235 -10.411 -10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 46 63.400 -8.748 -10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 46 64.611 -9.353 -12.895 1.00 0.00 H new ATOM 0 HG3 LYS A 46 65.049 -10.926 -12.258 1.00 0.00 H new ATOM 0 HD2 LYS A 46 62.118 -10.553 -12.341 1.00 0.00 H new ATOM 0 HD3 LYS A 46 62.844 -10.369 -13.926 1.00 0.00 H new ATOM 0 HE2 LYS A 46 63.411 -12.595 -14.059 1.00 0.00 H new ATOM 0 HE3 LYS A 46 63.993 -12.640 -12.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 62.016 -14.012 -12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 61.687 -12.720 -11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 61.124 -12.676 -13.227 1.00 0.00 H new ATOM 708 N GLY A 47 66.513 -7.672 -9.339 1.00 0.00 N ATOM 709 CA GLY A 47 67.149 -6.342 -9.514 1.00 0.00 C ATOM 710 C GLY A 47 66.082 -5.300 -9.855 1.00 0.00 C ATOM 711 O GLY A 47 66.329 -4.362 -10.586 1.00 0.00 O ATOM 0 H GLY A 47 66.657 -8.104 -8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 47 67.672 -6.056 -8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 47 67.894 -6.386 -10.308 1.00 0.00 H new ATOM 715 N ARG A 48 64.898 -5.457 -9.330 1.00 0.00 N ATOM 716 CA ARG A 48 63.817 -4.475 -9.623 1.00 0.00 C ATOM 717 C ARG A 48 63.398 -3.779 -8.326 1.00 0.00 C ATOM 718 O ARG A 48 63.552 -4.315 -7.246 1.00 0.00 O ATOM 719 CB ARG A 48 62.613 -5.204 -10.222 1.00 0.00 C ATOM 720 CG ARG A 48 62.565 -4.956 -11.731 1.00 0.00 C ATOM 721 CD ARG A 48 61.928 -3.592 -12.004 1.00 0.00 C ATOM 722 NE ARG A 48 60.617 -3.784 -12.686 1.00 0.00 N ATOM 723 CZ ARG A 48 59.566 -3.127 -12.276 1.00 0.00 C ATOM 724 NH1 ARG A 48 59.246 -3.133 -11.011 1.00 0.00 N ATOM 725 NH2 ARG A 48 58.836 -2.465 -13.131 1.00 0.00 N ATOM 0 H ARG A 48 64.633 -6.223 -8.711 1.00 0.00 H new ATOM 0 HA ARG A 48 64.182 -3.733 -10.334 1.00 0.00 H new ATOM 0 HB2 ARG A 48 62.684 -6.273 -10.021 1.00 0.00 H new ATOM 0 HB3 ARG A 48 61.693 -4.853 -9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 48 63.572 -4.989 -12.148 1.00 0.00 H new ATOM 0 HG3 ARG A 48 61.991 -5.742 -12.221 1.00 0.00 H new ATOM 0 HD2 ARG A 48 61.788 -3.050 -11.069 1.00 0.00 H new ATOM 0 HD3 ARG A 48 62.589 -2.988 -12.626 1.00 0.00 H new ATOM 0 HE ARG A 48 60.541 -4.429 -13.473 1.00 0.00 H new ATOM 0 HH11 ARG A 48 59.817 -3.651 -10.343 1.00 0.00 H new ATOM 0 HH12 ARG A 48 58.425 -2.620 -10.690 1.00 0.00 H new ATOM 0 HH21 ARG A 48 59.086 -2.461 -14.120 1.00 0.00 H new ATOM 0 HH22 ARG A 48 58.015 -1.952 -12.811 1.00 0.00 H new ATOM 739 N ARG A 49 62.871 -2.589 -8.420 1.00 0.00 N ATOM 740 CA ARG A 49 62.446 -1.864 -7.189 1.00 0.00 C ATOM 741 C ARG A 49 61.220 -1.002 -7.498 1.00 0.00 C ATOM 742 O ARG A 49 61.153 -0.341 -8.516 1.00 0.00 O ATOM 743 CB ARG A 49 63.589 -0.971 -6.702 1.00 0.00 C ATOM 744 CG ARG A 49 64.222 -0.252 -7.895 1.00 0.00 C ATOM 745 CD ARG A 49 65.544 0.387 -7.462 1.00 0.00 C ATOM 746 NE ARG A 49 65.919 1.456 -8.430 1.00 0.00 N ATOM 747 CZ ARG A 49 66.078 2.684 -8.017 1.00 0.00 C ATOM 748 NH1 ARG A 49 65.051 3.485 -7.941 1.00 0.00 N ATOM 749 NH2 ARG A 49 67.264 3.111 -7.681 1.00 0.00 N ATOM 0 H ARG A 49 62.716 -2.088 -9.295 1.00 0.00 H new ATOM 0 HA ARG A 49 62.193 -2.586 -6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 49 63.214 -0.243 -5.983 1.00 0.00 H new ATOM 0 HB3 ARG A 49 64.339 -1.571 -6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 49 64.395 -0.957 -8.708 1.00 0.00 H new ATOM 0 HG3 ARG A 49 63.544 0.512 -8.275 1.00 0.00 H new ATOM 0 HD2 ARG A 49 65.447 0.806 -6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 49 66.328 -0.369 -7.417 1.00 0.00 H new ATOM 0 HE ARG A 49 66.051 1.228 -9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 49 64.124 3.152 -8.204 1.00 0.00 H new ATOM 0 HH12 ARG A 49 65.175 4.445 -7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 49 68.067 2.485 -7.741 1.00 0.00 H new ATOM 0 HH22 ARG A 49 67.388 4.071 -7.358 1.00 0.00 H new ATOM 763 N PHE A 50 60.249 -1.002 -6.626 1.00 0.00 N ATOM 764 CA PHE A 50 59.028 -0.183 -6.866 1.00 0.00 C ATOM 765 C PHE A 50 58.615 0.508 -5.564 1.00 0.00 C ATOM 766 O PHE A 50 59.084 0.169 -4.496 1.00 0.00 O ATOM 767 CB PHE A 50 57.892 -1.088 -7.346 1.00 0.00 C ATOM 768 CG PHE A 50 57.676 -2.198 -6.346 1.00 0.00 C ATOM 769 CD1 PHE A 50 56.839 -1.994 -5.243 1.00 0.00 C ATOM 770 CD2 PHE A 50 58.315 -3.431 -6.522 1.00 0.00 C ATOM 771 CE1 PHE A 50 56.640 -3.023 -4.316 1.00 0.00 C ATOM 772 CE2 PHE A 50 58.116 -4.461 -5.595 1.00 0.00 C ATOM 773 CZ PHE A 50 57.278 -4.257 -4.492 1.00 0.00 C ATOM 0 H PHE A 50 60.249 -1.535 -5.756 1.00 0.00 H new ATOM 0 HA PHE A 50 59.238 0.569 -7.627 1.00 0.00 H new ATOM 0 HB2 PHE A 50 56.977 -0.508 -7.465 1.00 0.00 H new ATOM 0 HB3 PHE A 50 58.134 -1.506 -8.323 1.00 0.00 H new ATOM 0 HD1 PHE A 50 56.347 -1.042 -5.107 1.00 0.00 H new ATOM 0 HD2 PHE A 50 58.961 -3.588 -7.373 1.00 0.00 H new ATOM 0 HE1 PHE A 50 55.994 -2.865 -3.465 1.00 0.00 H new ATOM 0 HE2 PHE A 50 58.609 -5.412 -5.731 1.00 0.00 H new ATOM 0 HZ PHE A 50 57.124 -5.051 -3.777 1.00 0.00 H new ATOM 783 N CYS A 51 57.743 1.476 -5.644 1.00 0.00 N ATOM 784 CA CYS A 51 57.304 2.187 -4.415 1.00 0.00 C ATOM 785 C CYS A 51 56.117 1.450 -3.792 1.00 0.00 C ATOM 786 O CYS A 51 55.232 0.983 -4.481 1.00 0.00 O ATOM 787 CB CYS A 51 56.886 3.610 -4.784 1.00 0.00 C ATOM 788 SG CYS A 51 58.362 4.633 -5.007 1.00 0.00 S ATOM 0 H CYS A 51 57.316 1.804 -6.510 1.00 0.00 H new ATOM 0 HA CYS A 51 58.123 2.219 -3.697 1.00 0.00 H new ATOM 0 HB2 CYS A 51 56.295 3.601 -5.700 1.00 0.00 H new ATOM 0 HB3 CYS A 51 56.254 4.030 -4.001 1.00 0.00 H new ATOM 793 N ALA A 52 56.091 1.344 -2.491 1.00 0.00 N ATOM 794 CA ALA A 52 54.960 0.639 -1.824 1.00 0.00 C ATOM 795 C ALA A 52 54.335 1.559 -0.774 1.00 0.00 C ATOM 796 O ALA A 52 54.966 2.475 -0.284 1.00 0.00 O ATOM 797 CB ALA A 52 55.480 -0.630 -1.146 1.00 0.00 C ATOM 0 H ALA A 52 56.803 1.715 -1.862 1.00 0.00 H new ATOM 0 HA ALA A 52 54.208 0.372 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 52 54.654 -1.146 -0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 52 55.926 -1.285 -1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 52 56.231 -0.364 -0.402 1.00 0.00 H new ATOM 803 N ASN A 53 53.100 1.324 -0.424 1.00 0.00 N ATOM 804 CA ASN A 53 52.437 2.187 0.593 1.00 0.00 C ATOM 805 C ASN A 53 52.864 1.737 1.998 1.00 0.00 C ATOM 806 O ASN A 53 52.716 0.581 2.343 1.00 0.00 O ATOM 807 CB ASN A 53 50.918 2.055 0.457 1.00 0.00 C ATOM 808 CG ASN A 53 50.235 3.203 1.202 1.00 0.00 C ATOM 809 OD1 ASN A 53 50.727 4.314 1.210 1.00 0.00 O ATOM 810 ND2 ASN A 53 49.114 2.981 1.832 1.00 0.00 N ATOM 0 H ASN A 53 52.522 0.572 -0.799 1.00 0.00 H new ATOM 0 HA ASN A 53 52.729 3.226 0.438 1.00 0.00 H new ATOM 0 HB2 ASN A 53 50.634 2.071 -0.595 1.00 0.00 H new ATOM 0 HB3 ASN A 53 50.588 1.098 0.862 1.00 0.00 H new ATOM 0 HD21 ASN A 53 48.651 3.740 2.331 1.00 0.00 H new ATOM 0 HD22 ASN A 53 48.701 2.048 1.825 1.00 0.00 H new ATOM 817 N PRO A 54 53.382 2.662 2.771 1.00 0.00 N ATOM 818 CA PRO A 54 53.839 2.378 4.143 1.00 0.00 C ATOM 819 C PRO A 54 52.642 2.253 5.089 1.00 0.00 C ATOM 820 O PRO A 54 52.794 2.017 6.271 1.00 0.00 O ATOM 821 CB PRO A 54 54.699 3.595 4.497 1.00 0.00 C ATOM 822 CG PRO A 54 54.240 4.739 3.562 1.00 0.00 C ATOM 823 CD PRO A 54 53.552 4.071 2.357 1.00 0.00 C ATOM 0 HA PRO A 54 54.388 1.440 4.228 1.00 0.00 H new ATOM 0 HB2 PRO A 54 54.569 3.872 5.543 1.00 0.00 H new ATOM 0 HB3 PRO A 54 55.758 3.378 4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 54 53.553 5.409 4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 54 55.090 5.340 3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 54 52.593 4.540 2.136 1.00 0.00 H new ATOM 0 HD3 PRO A 54 54.161 4.151 1.456 1.00 0.00 H new ATOM 831 N SER A 55 51.453 2.403 4.575 1.00 0.00 N ATOM 832 CA SER A 55 50.247 2.285 5.441 1.00 0.00 C ATOM 833 C SER A 55 49.537 0.963 5.144 1.00 0.00 C ATOM 834 O SER A 55 48.562 0.615 5.781 1.00 0.00 O ATOM 835 CB SER A 55 49.298 3.449 5.156 1.00 0.00 C ATOM 836 OG SER A 55 49.787 4.621 5.794 1.00 0.00 O ATOM 0 H SER A 55 51.264 2.602 3.593 1.00 0.00 H new ATOM 0 HA SER A 55 50.547 2.311 6.489 1.00 0.00 H new ATOM 0 HB2 SER A 55 49.217 3.613 4.081 1.00 0.00 H new ATOM 0 HB3 SER A 55 48.297 3.214 5.519 1.00 0.00 H new ATOM 0 HG SER A 55 49.181 5.370 5.612 1.00 0.00 H new ATOM 842 N ASP A 56 50.018 0.220 4.182 1.00 0.00 N ATOM 843 CA ASP A 56 49.367 -1.079 3.851 1.00 0.00 C ATOM 844 C ASP A 56 49.815 -2.141 4.857 1.00 0.00 C ATOM 845 O ASP A 56 50.990 -2.409 5.010 1.00 0.00 O ATOM 846 CB ASP A 56 49.774 -1.507 2.440 1.00 0.00 C ATOM 847 CG ASP A 56 48.822 -2.596 1.941 1.00 0.00 C ATOM 848 OD1 ASP A 56 47.706 -2.259 1.580 1.00 0.00 O ATOM 849 OD2 ASP A 56 49.224 -3.747 1.929 1.00 0.00 O ATOM 0 H ASP A 56 50.831 0.457 3.613 1.00 0.00 H new ATOM 0 HA ASP A 56 48.284 -0.968 3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 56 49.748 -0.650 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 56 50.799 -1.879 2.443 1.00 0.00 H new ATOM 854 N LYS A 57 48.887 -2.749 5.545 1.00 0.00 N ATOM 855 CA LYS A 57 49.263 -3.793 6.540 1.00 0.00 C ATOM 856 C LYS A 57 50.297 -4.737 5.924 1.00 0.00 C ATOM 857 O LYS A 57 51.220 -5.174 6.581 1.00 0.00 O ATOM 858 CB LYS A 57 48.021 -4.591 6.948 1.00 0.00 C ATOM 859 CG LYS A 57 47.035 -4.650 5.779 1.00 0.00 C ATOM 860 CD LYS A 57 45.851 -3.723 6.063 1.00 0.00 C ATOM 861 CE LYS A 57 44.656 -4.141 5.206 1.00 0.00 C ATOM 862 NZ LYS A 57 43.504 -4.478 6.091 1.00 0.00 N ATOM 0 H LYS A 57 47.887 -2.568 5.461 1.00 0.00 H new ATOM 0 HA LYS A 57 49.688 -3.313 7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 57 48.307 -5.600 7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 57 47.547 -4.126 7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 57 47.531 -4.351 4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 57 46.684 -5.672 5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 57 45.587 -3.767 7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 57 46.124 -2.690 5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 57 44.382 -3.334 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 57 44.919 -5.001 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 42.691 -4.762 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 43.769 -5.261 6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 43.248 -3.646 6.660 1.00 0.00 H new ATOM 876 N GLN A 58 50.153 -5.053 4.666 1.00 0.00 N ATOM 877 CA GLN A 58 51.133 -5.967 4.015 1.00 0.00 C ATOM 878 C GLN A 58 52.536 -5.371 4.135 1.00 0.00 C ATOM 879 O GLN A 58 53.516 -6.081 4.246 1.00 0.00 O ATOM 880 CB GLN A 58 50.773 -6.134 2.537 1.00 0.00 C ATOM 881 CG GLN A 58 50.786 -7.621 2.173 1.00 0.00 C ATOM 882 CD GLN A 58 49.379 -8.057 1.760 1.00 0.00 C ATOM 883 OE1 GLN A 58 49.213 -8.789 0.805 1.00 0.00 O ATOM 884 NE2 GLN A 58 48.351 -7.636 2.445 1.00 0.00 N ATOM 0 H GLN A 58 49.401 -4.719 4.063 1.00 0.00 H new ATOM 0 HA GLN A 58 51.106 -6.940 4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 58 49.788 -5.709 2.341 1.00 0.00 H new ATOM 0 HB3 GLN A 58 51.484 -5.590 1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 58 51.488 -7.801 1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 58 51.126 -8.212 3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 58 48.490 -7.021 3.247 1.00 0.00 H new ATOM 0 HE22 GLN A 58 47.409 -7.922 2.178 1.00 0.00 H new ATOM 893 N VAL A 59 52.641 -4.070 4.121 1.00 0.00 N ATOM 894 CA VAL A 59 53.982 -3.431 4.241 1.00 0.00 C ATOM 895 C VAL A 59 54.420 -3.459 5.705 1.00 0.00 C ATOM 896 O VAL A 59 55.578 -3.659 6.014 1.00 0.00 O ATOM 897 CB VAL A 59 53.906 -1.982 3.756 1.00 0.00 C ATOM 898 CG1 VAL A 59 55.216 -1.264 4.086 1.00 0.00 C ATOM 899 CG2 VAL A 59 53.684 -1.963 2.242 1.00 0.00 C ATOM 0 H VAL A 59 51.857 -3.423 4.032 1.00 0.00 H new ATOM 0 HA VAL A 59 54.703 -3.975 3.631 1.00 0.00 H new ATOM 0 HB VAL A 59 53.078 -1.476 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 59 55.162 -0.232 3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 59 55.377 -1.278 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 59 56.044 -1.770 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 59 53.630 -0.931 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 59 54.512 -2.469 1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 59 52.752 -2.475 2.005 1.00 0.00 H new ATOM 909 N GLN A 60 53.501 -3.263 6.611 1.00 0.00 N ATOM 910 CA GLN A 60 53.862 -3.283 8.055 1.00 0.00 C ATOM 911 C GLN A 60 54.149 -4.724 8.483 1.00 0.00 C ATOM 912 O GLN A 60 54.965 -4.975 9.348 1.00 0.00 O ATOM 913 CB GLN A 60 52.700 -2.726 8.881 1.00 0.00 C ATOM 914 CG GLN A 60 52.492 -1.249 8.540 1.00 0.00 C ATOM 915 CD GLN A 60 52.158 -0.471 9.814 1.00 0.00 C ATOM 916 OE1 GLN A 60 51.021 -0.444 10.243 1.00 0.00 O ATOM 917 NE2 GLN A 60 53.107 0.168 10.442 1.00 0.00 N ATOM 0 H GLN A 60 52.516 -3.090 6.412 1.00 0.00 H new ATOM 0 HA GLN A 60 54.748 -2.669 8.219 1.00 0.00 H new ATOM 0 HB2 GLN A 60 51.790 -3.289 8.674 1.00 0.00 H new ATOM 0 HB3 GLN A 60 52.910 -2.838 9.945 1.00 0.00 H new ATOM 0 HG2 GLN A 60 53.391 -0.842 8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 60 51.685 -1.143 7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 60 54.061 0.146 10.083 1.00 0.00 H new ATOM 0 HE22 GLN A 60 52.894 0.690 11.292 1.00 0.00 H new ATOM 926 N VAL A 61 53.485 -5.674 7.881 1.00 0.00 N ATOM 927 CA VAL A 61 53.722 -7.098 8.250 1.00 0.00 C ATOM 928 C VAL A 61 55.055 -7.559 7.659 1.00 0.00 C ATOM 929 O VAL A 61 55.860 -8.179 8.326 1.00 0.00 O ATOM 930 CB VAL A 61 52.591 -7.964 7.695 1.00 0.00 C ATOM 931 CG1 VAL A 61 52.858 -9.432 8.033 1.00 0.00 C ATOM 932 CG2 VAL A 61 51.263 -7.531 8.322 1.00 0.00 C ATOM 0 H VAL A 61 52.789 -5.525 7.150 1.00 0.00 H new ATOM 0 HA VAL A 61 53.752 -7.194 9.335 1.00 0.00 H new ATOM 0 HB VAL A 61 52.540 -7.844 6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 61 52.051 -10.049 7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 61 53.804 -9.742 7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 61 52.910 -9.553 9.115 1.00 0.00 H new ATOM 0 HG21 VAL A 61 50.456 -8.148 7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 61 51.315 -7.651 9.404 1.00 0.00 H new ATOM 0 HG23 VAL A 61 51.071 -6.485 8.082 1.00 0.00 H new ATOM 942 N CYS A 62 55.297 -7.260 6.411 1.00 0.00 N ATOM 943 CA CYS A 62 56.580 -7.679 5.781 1.00 0.00 C ATOM 944 C CYS A 62 57.716 -6.806 6.317 1.00 0.00 C ATOM 945 O CYS A 62 58.875 -7.162 6.241 1.00 0.00 O ATOM 946 CB CYS A 62 56.483 -7.516 4.263 1.00 0.00 C ATOM 947 SG CYS A 62 57.772 -8.508 3.466 1.00 0.00 S ATOM 0 H CYS A 62 54.662 -6.744 5.802 1.00 0.00 H new ATOM 0 HA CYS A 62 56.779 -8.724 6.020 1.00 0.00 H new ATOM 0 HB2 CYS A 62 55.499 -7.831 3.915 1.00 0.00 H new ATOM 0 HB3 CYS A 62 56.596 -6.467 3.991 1.00 0.00 H new ATOM 952 N MET A 63 57.392 -5.664 6.860 1.00 0.00 N ATOM 953 CA MET A 63 58.453 -4.770 7.403 1.00 0.00 C ATOM 954 C MET A 63 59.198 -5.494 8.525 1.00 0.00 C ATOM 955 O MET A 63 60.406 -5.418 8.633 1.00 0.00 O ATOM 956 CB MET A 63 57.815 -3.493 7.953 1.00 0.00 C ATOM 957 CG MET A 63 58.054 -2.341 6.976 1.00 0.00 C ATOM 958 SD MET A 63 58.129 -0.780 7.890 1.00 0.00 S ATOM 959 CE MET A 63 59.586 -1.172 8.890 1.00 0.00 C ATOM 0 H MET A 63 56.439 -5.312 6.951 1.00 0.00 H new ATOM 0 HA MET A 63 59.153 -4.510 6.609 1.00 0.00 H new ATOM 0 HB2 MET A 63 56.745 -3.643 8.100 1.00 0.00 H new ATOM 0 HB3 MET A 63 58.240 -3.252 8.927 1.00 0.00 H new ATOM 0 HG2 MET A 63 58.984 -2.500 6.430 1.00 0.00 H new ATOM 0 HG3 MET A 63 57.253 -2.304 6.238 1.00 0.00 H new ATOM 0 HE1 MET A 63 59.300 -1.239 9.940 1.00 0.00 H new ATOM 0 HE2 MET A 63 60.004 -2.125 8.566 1.00 0.00 H new ATOM 0 HE3 MET A 63 60.333 -0.388 8.767 1.00 0.00 H new ATOM 969 N ARG A 64 58.486 -6.198 9.362 1.00 0.00 N ATOM 970 CA ARG A 64 59.151 -6.930 10.476 1.00 0.00 C ATOM 971 C ARG A 64 59.679 -8.269 9.959 1.00 0.00 C ATOM 972 O ARG A 64 60.581 -8.853 10.527 1.00 0.00 O ATOM 973 CB ARG A 64 58.139 -7.178 11.597 1.00 0.00 C ATOM 974 CG ARG A 64 58.521 -6.349 12.825 1.00 0.00 C ATOM 975 CD ARG A 64 58.206 -7.141 14.095 1.00 0.00 C ATOM 976 NE ARG A 64 56.802 -7.636 14.037 1.00 0.00 N ATOM 977 CZ ARG A 64 56.420 -8.607 14.820 1.00 0.00 C ATOM 978 NH1 ARG A 64 56.593 -8.512 16.110 1.00 0.00 N ATOM 979 NH2 ARG A 64 55.866 -9.674 14.314 1.00 0.00 N ATOM 0 H ARG A 64 57.472 -6.298 9.322 1.00 0.00 H new ATOM 0 HA ARG A 64 59.980 -6.336 10.860 1.00 0.00 H new ATOM 0 HB2 ARG A 64 57.137 -6.910 11.262 1.00 0.00 H new ATOM 0 HB3 ARG A 64 58.117 -8.237 11.853 1.00 0.00 H new ATOM 0 HG2 ARG A 64 59.582 -6.100 12.793 1.00 0.00 H new ATOM 0 HG3 ARG A 64 57.972 -5.407 12.826 1.00 0.00 H new ATOM 0 HD2 ARG A 64 58.895 -7.980 14.193 1.00 0.00 H new ATOM 0 HD3 ARG A 64 58.344 -6.510 14.973 1.00 0.00 H new ATOM 0 HE ARG A 64 56.140 -7.216 13.385 1.00 0.00 H new ATOM 0 HH11 ARG A 64 57.027 -7.678 16.506 1.00 0.00 H new ATOM 0 HH12 ARG A 64 56.294 -9.271 16.722 1.00 0.00 H new ATOM 0 HH21 ARG A 64 55.731 -9.749 13.306 1.00 0.00 H new ATOM 0 HH22 ARG A 64 55.567 -10.433 14.927 1.00 0.00 H new ATOM 993 N MET A 65 59.125 -8.760 8.885 1.00 0.00 N ATOM 994 CA MET A 65 59.595 -10.061 8.330 1.00 0.00 C ATOM 995 C MET A 65 61.006 -9.894 7.765 1.00 0.00 C ATOM 996 O MET A 65 61.916 -10.620 8.114 1.00 0.00 O ATOM 997 CB MET A 65 58.648 -10.511 7.215 1.00 0.00 C ATOM 998 CG MET A 65 58.797 -12.017 6.994 1.00 0.00 C ATOM 999 SD MET A 65 57.432 -12.884 7.808 1.00 0.00 S ATOM 1000 CE MET A 65 57.825 -14.544 7.203 1.00 0.00 C ATOM 0 H MET A 65 58.366 -8.316 8.367 1.00 0.00 H new ATOM 0 HA MET A 65 59.607 -10.811 9.121 1.00 0.00 H new ATOM 0 HB2 MET A 65 57.618 -10.272 7.480 1.00 0.00 H new ATOM 0 HB3 MET A 65 58.873 -9.974 6.294 1.00 0.00 H new ATOM 0 HG2 MET A 65 58.799 -12.240 5.927 1.00 0.00 H new ATOM 0 HG3 MET A 65 59.751 -12.361 7.394 1.00 0.00 H new ATOM 0 HE1 MET A 65 57.095 -15.255 7.590 1.00 0.00 H new ATOM 0 HE2 MET A 65 57.795 -14.551 6.113 1.00 0.00 H new ATOM 0 HE3 MET A 65 58.822 -14.828 7.540 1.00 0.00 H new ATOM 1010 N LEU A 66 61.197 -8.940 6.894 1.00 0.00 N ATOM 1011 CA LEU A 66 62.551 -8.726 6.308 1.00 0.00 C ATOM 1012 C LEU A 66 63.484 -8.153 7.377 1.00 0.00 C ATOM 1013 O LEU A 66 64.677 -8.042 7.178 1.00 0.00 O ATOM 1014 CB LEU A 66 62.451 -7.744 5.139 1.00 0.00 C ATOM 1015 CG LEU A 66 62.173 -8.515 3.848 1.00 0.00 C ATOM 1016 CD1 LEU A 66 61.149 -7.751 3.006 1.00 0.00 C ATOM 1017 CD2 LEU A 66 63.473 -8.664 3.054 1.00 0.00 C ATOM 0 H LEU A 66 60.475 -8.300 6.563 1.00 0.00 H new ATOM 0 HA LEU A 66 62.947 -9.677 5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 66 61.655 -7.023 5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 66 63.378 -7.178 5.045 1.00 0.00 H new ATOM 0 HG LEU A 66 61.779 -9.501 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 66 60.951 -8.301 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 66 60.223 -7.642 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 66 61.543 -6.764 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 66 63.276 -9.213 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 66 63.866 -7.677 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 66 64.204 -9.208 3.652 1.00 0.00 H new ATOM 1029 N LYS A 67 62.949 -7.789 8.511 1.00 0.00 N ATOM 1030 CA LYS A 67 63.805 -7.224 9.593 1.00 0.00 C ATOM 1031 C LYS A 67 65.082 -8.057 9.722 1.00 0.00 C ATOM 1032 O LYS A 67 65.190 -9.136 9.175 1.00 0.00 O ATOM 1033 CB LYS A 67 63.039 -7.258 10.917 1.00 0.00 C ATOM 1034 CG LYS A 67 63.448 -6.059 11.775 1.00 0.00 C ATOM 1035 CD LYS A 67 62.455 -5.895 12.927 1.00 0.00 C ATOM 1036 CE LYS A 67 62.648 -4.523 13.577 1.00 0.00 C ATOM 1037 NZ LYS A 67 61.423 -4.160 14.344 1.00 0.00 N ATOM 0 H LYS A 67 61.956 -7.858 8.735 1.00 0.00 H new ATOM 0 HA LYS A 67 64.067 -6.194 9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 67 61.966 -7.235 10.729 1.00 0.00 H new ATOM 0 HB3 LYS A 67 63.250 -8.187 11.447 1.00 0.00 H new ATOM 0 HG2 LYS A 67 64.455 -6.205 12.166 1.00 0.00 H new ATOM 0 HG3 LYS A 67 63.470 -5.154 11.168 1.00 0.00 H new ATOM 0 HD2 LYS A 67 61.434 -5.994 12.558 1.00 0.00 H new ATOM 0 HD3 LYS A 67 62.605 -6.683 13.665 1.00 0.00 H new ATOM 0 HE2 LYS A 67 63.513 -4.541 14.240 1.00 0.00 H new ATOM 0 HE3 LYS A 67 62.848 -3.772 12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 61.554 -3.228 14.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 60.607 -4.127 13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 61.252 -4.872 15.082 1.00 0.00 H new ATOM 1051 N LEU A 68 66.052 -7.564 10.444 1.00 0.00 N ATOM 1052 CA LEU A 68 67.321 -8.328 10.609 1.00 0.00 C ATOM 1053 C LEU A 68 67.063 -9.565 11.471 1.00 0.00 C ATOM 1054 O LEU A 68 66.076 -9.648 12.175 1.00 0.00 O ATOM 1055 CB LEU A 68 68.366 -7.441 11.289 1.00 0.00 C ATOM 1056 CG LEU A 68 69.347 -6.912 10.242 1.00 0.00 C ATOM 1057 CD1 LEU A 68 69.981 -8.088 9.496 1.00 0.00 C ATOM 1058 CD2 LEU A 68 68.600 -6.022 9.247 1.00 0.00 C ATOM 0 H LEU A 68 66.020 -6.666 10.926 1.00 0.00 H new ATOM 0 HA LEU A 68 67.689 -8.637 9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 68 67.877 -6.610 11.797 1.00 0.00 H new ATOM 0 HB3 LEU A 68 68.901 -8.009 12.050 1.00 0.00 H new ATOM 0 HG LEU A 68 70.126 -6.332 10.736 1.00 0.00 H new ATOM 0 HD11 LEU A 68 70.680 -7.711 8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 68 70.513 -8.723 10.204 1.00 0.00 H new ATOM 0 HD13 LEU A 68 69.202 -8.668 9.002 1.00 0.00 H new ATOM 0 HD21 LEU A 68 69.299 -5.645 8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 68 67.820 -6.602 8.754 1.00 0.00 H new ATOM 0 HD23 LEU A 68 68.148 -5.184 9.777 1.00 0.00 H new ATOM 1070 N ASP A 69 67.942 -10.528 11.422 1.00 0.00 N ATOM 1071 CA ASP A 69 67.748 -11.757 12.238 1.00 0.00 C ATOM 1072 C ASP A 69 67.882 -11.411 13.722 1.00 0.00 C ATOM 1073 O ASP A 69 68.904 -11.647 14.335 1.00 0.00 O ATOM 1074 CB ASP A 69 68.811 -12.789 11.856 1.00 0.00 C ATOM 1075 CG ASP A 69 70.160 -12.092 11.672 1.00 0.00 C ATOM 1076 OD1 ASP A 69 70.274 -10.947 12.078 1.00 0.00 O ATOM 1077 OD2 ASP A 69 71.057 -12.715 11.128 1.00 0.00 O ATOM 0 H ASP A 69 68.787 -10.516 10.851 1.00 0.00 H new ATOM 0 HA ASP A 69 66.756 -12.168 12.051 1.00 0.00 H new ATOM 0 HB2 ASP A 69 68.887 -13.552 12.631 1.00 0.00 H new ATOM 0 HB3 ASP A 69 68.524 -13.298 10.935 1.00 0.00 H new ATOM 1082 N THR A 70 66.857 -10.854 14.306 1.00 0.00 N ATOM 1083 CA THR A 70 66.926 -10.494 15.750 1.00 0.00 C ATOM 1084 C THR A 70 68.248 -9.777 16.033 1.00 0.00 C ATOM 1085 O THR A 70 69.103 -10.284 16.732 1.00 0.00 O ATOM 1086 CB THR A 70 66.843 -11.766 16.597 1.00 0.00 C ATOM 1087 OG1 THR A 70 68.000 -12.559 16.373 1.00 0.00 O ATOM 1088 CG2 THR A 70 65.594 -12.559 16.209 1.00 0.00 C ATOM 0 H THR A 70 65.974 -10.633 13.845 1.00 0.00 H new ATOM 0 HA THR A 70 66.094 -9.836 16.002 1.00 0.00 H new ATOM 0 HB THR A 70 66.786 -11.497 17.652 1.00 0.00 H new ATOM 0 HG1 THR A 70 68.668 -12.033 15.886 1.00 0.00 H new ATOM 0 HG21 THR A 70 65.536 -13.465 16.813 1.00 0.00 H new ATOM 0 HG22 THR A 70 64.707 -11.949 16.383 1.00 0.00 H new ATOM 0 HG23 THR A 70 65.647 -12.829 15.154 1.00 0.00 H new ATOM 1096 N ARG A 71 68.422 -8.600 15.497 1.00 0.00 N ATOM 1097 CA ARG A 71 69.687 -7.851 15.736 1.00 0.00 C ATOM 1098 C ARG A 71 69.524 -6.407 15.255 1.00 0.00 C ATOM 1099 O ARG A 71 69.193 -6.158 14.112 1.00 0.00 O ATOM 1100 CB ARG A 71 70.829 -8.519 14.966 1.00 0.00 C ATOM 1101 CG ARG A 71 72.071 -8.594 15.856 1.00 0.00 C ATOM 1102 CD ARG A 71 72.251 -10.027 16.362 1.00 0.00 C ATOM 1103 NE ARG A 71 73.534 -10.579 15.843 1.00 0.00 N ATOM 1104 CZ ARG A 71 74.657 -9.963 16.089 1.00 0.00 C ATOM 1105 NH1 ARG A 71 74.923 -9.549 17.298 1.00 0.00 N ATOM 1106 NH2 ARG A 71 75.515 -9.761 15.127 1.00 0.00 N ATOM 0 H ARG A 71 67.742 -8.125 14.904 1.00 0.00 H new ATOM 0 HA ARG A 71 69.916 -7.855 16.802 1.00 0.00 H new ATOM 0 HB2 ARG A 71 70.533 -9.520 14.652 1.00 0.00 H new ATOM 0 HB3 ARG A 71 71.051 -7.953 14.061 1.00 0.00 H new ATOM 0 HG2 ARG A 71 72.952 -8.282 15.296 1.00 0.00 H new ATOM 0 HG3 ARG A 71 71.970 -7.910 16.698 1.00 0.00 H new ATOM 0 HD2 ARG A 71 72.251 -10.042 17.452 1.00 0.00 H new ATOM 0 HD3 ARG A 71 71.417 -10.647 16.034 1.00 0.00 H new ATOM 0 HE ARG A 71 73.534 -11.439 15.295 1.00 0.00 H new ATOM 0 HH11 ARG A 71 74.253 -9.707 18.050 1.00 0.00 H new ATOM 0 HH12 ARG A 71 75.801 -9.067 17.490 1.00 0.00 H new ATOM 0 HH21 ARG A 71 75.308 -10.085 14.182 1.00 0.00 H new ATOM 0 HH22 ARG A 71 76.393 -9.279 15.320 1.00 0.00 H new ATOM 1120 N ILE A 72 69.752 -5.455 16.117 1.00 0.00 N ATOM 1121 CA ILE A 72 69.608 -4.029 15.708 1.00 0.00 C ATOM 1122 C ILE A 72 70.724 -3.200 16.347 1.00 0.00 C ATOM 1123 O ILE A 72 70.474 -2.235 17.042 1.00 0.00 O ATOM 1124 CB ILE A 72 68.249 -3.500 16.171 1.00 0.00 C ATOM 1125 CG1 ILE A 72 67.199 -4.605 16.033 1.00 0.00 C ATOM 1126 CG2 ILE A 72 67.845 -2.305 15.306 1.00 0.00 C ATOM 1127 CD1 ILE A 72 65.887 -4.147 16.673 1.00 0.00 C ATOM 0 H ILE A 72 70.032 -5.602 17.087 1.00 0.00 H new ATOM 0 HA ILE A 72 69.676 -3.954 14.623 1.00 0.00 H new ATOM 0 HB ILE A 72 68.316 -3.188 17.213 1.00 0.00 H new ATOM 0 HG12 ILE A 72 67.040 -4.840 14.981 1.00 0.00 H new ATOM 0 HG13 ILE A 72 67.551 -5.518 16.514 1.00 0.00 H new ATOM 0 HG21 ILE A 72 66.877 -1.928 15.636 1.00 0.00 H new ATOM 0 HG22 ILE A 72 68.593 -1.518 15.401 1.00 0.00 H new ATOM 0 HG23 ILE A 72 67.777 -2.617 14.264 1.00 0.00 H new ATOM 0 HD11 ILE A 72 65.140 -4.934 16.574 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.052 -3.934 17.729 1.00 0.00 H new ATOM 0 HD13 ILE A 72 65.533 -3.246 16.172 1.00 0.00 H new ATOM 1139 N LYS A 73 71.955 -3.569 16.117 1.00 0.00 N ATOM 1140 CA LYS A 73 73.087 -2.802 16.710 1.00 0.00 C ATOM 1141 C LYS A 73 73.292 -1.507 15.922 1.00 0.00 C ATOM 1142 O LYS A 73 73.758 -0.515 16.448 1.00 0.00 O ATOM 1143 CB LYS A 73 74.362 -3.645 16.647 1.00 0.00 C ATOM 1144 CG LYS A 73 75.168 -3.451 17.933 1.00 0.00 C ATOM 1145 CD LYS A 73 76.060 -4.672 18.166 1.00 0.00 C ATOM 1146 CE LYS A 73 76.877 -4.472 19.444 1.00 0.00 C ATOM 1147 NZ LYS A 73 78.270 -4.083 19.087 1.00 0.00 N ATOM 0 H LYS A 73 72.225 -4.368 15.544 1.00 0.00 H new ATOM 0 HA LYS A 73 72.861 -2.563 17.749 1.00 0.00 H new ATOM 0 HB2 LYS A 73 74.109 -4.697 16.520 1.00 0.00 H new ATOM 0 HB3 LYS A 73 74.960 -3.354 15.783 1.00 0.00 H new ATOM 0 HG2 LYS A 73 75.778 -2.551 17.860 1.00 0.00 H new ATOM 0 HG3 LYS A 73 74.495 -3.312 18.779 1.00 0.00 H new ATOM 0 HD2 LYS A 73 75.449 -5.571 18.249 1.00 0.00 H new ATOM 0 HD3 LYS A 73 76.726 -4.817 17.315 1.00 0.00 H new ATOM 0 HE2 LYS A 73 76.420 -3.700 20.064 1.00 0.00 H new ATOM 0 HE3 LYS A 73 76.884 -5.390 20.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 78.826 -3.947 19.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 78.704 -4.834 18.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 78.254 -3.196 18.544 1.00 0.00 H new ATOM 1161 N THR A 74 72.950 -1.507 14.663 1.00 0.00 N ATOM 1162 CA THR A 74 73.126 -0.276 13.842 1.00 0.00 C ATOM 1163 C THR A 74 74.554 0.248 14.010 1.00 0.00 C ATOM 1164 O THR A 74 74.790 1.227 14.689 1.00 0.00 O ATOM 1165 CB THR A 74 72.132 0.792 14.304 1.00 0.00 C ATOM 1166 OG1 THR A 74 72.560 1.327 15.549 1.00 0.00 O ATOM 1167 CG2 THR A 74 70.745 0.168 14.464 1.00 0.00 C ATOM 0 H THR A 74 72.556 -2.307 14.167 1.00 0.00 H new ATOM 0 HA THR A 74 72.946 -0.509 12.793 1.00 0.00 H new ATOM 0 HB THR A 74 72.084 1.589 13.562 1.00 0.00 H new ATOM 0 HG1 THR A 74 73.432 0.948 15.785 1.00 0.00 H new ATOM 0 HG21 THR A 74 70.039 0.930 14.793 1.00 0.00 H new ATOM 0 HG22 THR A 74 70.418 -0.241 13.508 1.00 0.00 H new ATOM 0 HG23 THR A 74 70.788 -0.630 15.205 1.00 0.00 H new ATOM 1175 N ARG A 75 75.508 -0.397 13.397 1.00 0.00 N ATOM 1176 CA ARG A 75 76.919 0.065 13.523 1.00 0.00 C ATOM 1177 C ARG A 75 77.156 1.246 12.580 1.00 0.00 C ATOM 1178 O ARG A 75 77.564 2.313 12.995 1.00 0.00 O ATOM 1179 CB ARG A 75 77.865 -1.079 13.155 1.00 0.00 C ATOM 1180 CG ARG A 75 77.425 -2.357 13.870 1.00 0.00 C ATOM 1181 CD ARG A 75 78.124 -3.563 13.239 1.00 0.00 C ATOM 1182 NE ARG A 75 79.593 -3.461 13.468 1.00 0.00 N ATOM 1183 CZ ARG A 75 80.419 -3.558 12.462 1.00 0.00 C ATOM 1184 NH1 ARG A 75 80.148 -4.362 11.471 1.00 0.00 N ATOM 1185 NH2 ARG A 75 81.515 -2.850 12.447 1.00 0.00 N ATOM 0 H ARG A 75 75.372 -1.223 12.815 1.00 0.00 H new ATOM 0 HA ARG A 75 77.108 0.377 14.550 1.00 0.00 H new ATOM 0 HB2 ARG A 75 77.862 -1.234 12.076 1.00 0.00 H new ATOM 0 HB3 ARG A 75 78.887 -0.825 13.438 1.00 0.00 H new ATOM 0 HG2 ARG A 75 77.670 -2.295 14.930 1.00 0.00 H new ATOM 0 HG3 ARG A 75 76.343 -2.472 13.799 1.00 0.00 H new ATOM 0 HD2 ARG A 75 77.741 -4.487 13.672 1.00 0.00 H new ATOM 0 HD3 ARG A 75 77.913 -3.601 12.170 1.00 0.00 H new ATOM 0 HE ARG A 75 79.953 -3.315 14.411 1.00 0.00 H new ATOM 0 HH11 ARG A 75 79.291 -4.915 11.482 1.00 0.00 H new ATOM 0 HH12 ARG A 75 80.793 -4.438 10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 75 81.726 -2.221 13.221 1.00 0.00 H new ATOM 0 HH22 ARG A 75 82.160 -2.926 11.661 1.00 0.00 H new ATOM 1199 N LYS A 76 76.905 1.064 11.312 1.00 0.00 N ATOM 1200 CA LYS A 76 77.117 2.177 10.344 1.00 0.00 C ATOM 1201 C LYS A 76 76.452 1.827 9.011 1.00 0.00 C ATOM 1202 O LYS A 76 76.993 2.078 7.952 1.00 0.00 O ATOM 1203 CB LYS A 76 78.617 2.385 10.126 1.00 0.00 C ATOM 1204 CG LYS A 76 79.059 3.679 10.812 1.00 0.00 C ATOM 1205 CD LYS A 76 78.333 4.868 10.179 1.00 0.00 C ATOM 1206 CE LYS A 76 77.965 5.880 11.265 1.00 0.00 C ATOM 1207 NZ LYS A 76 77.145 6.972 10.670 1.00 0.00 N ATOM 0 H LYS A 76 76.563 0.194 10.905 1.00 0.00 H new ATOM 0 HA LYS A 76 76.677 3.092 10.741 1.00 0.00 H new ATOM 0 HB2 LYS A 76 79.174 1.539 10.528 1.00 0.00 H new ATOM 0 HB3 LYS A 76 78.837 2.433 9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 76 78.839 3.631 11.878 1.00 0.00 H new ATOM 0 HG3 LYS A 76 80.137 3.804 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 76 78.969 5.339 9.429 1.00 0.00 H new ATOM 0 HD3 LYS A 76 77.434 4.527 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 76 77.409 5.387 12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 76 78.869 6.293 11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 76.895 7.660 11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 77.690 7.448 9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 76.276 6.571 10.262 1.00 0.00 H new ATOM 1221 N ASN A 77 75.284 1.248 9.054 1.00 0.00 N ATOM 1222 CA ASN A 77 74.586 0.882 7.789 1.00 0.00 C ATOM 1223 C ASN A 77 74.403 2.134 6.928 1.00 0.00 C ATOM 1224 O ASN A 77 74.956 3.161 7.286 1.00 0.00 O ATOM 1225 CB ASN A 77 73.216 0.284 8.116 1.00 0.00 C ATOM 1226 CG ASN A 77 72.928 -0.882 7.169 1.00 0.00 C ATOM 1227 OD1 ASN A 77 73.496 -0.965 6.098 1.00 0.00 O ATOM 1228 ND2 ASN A 77 72.062 -1.794 7.520 1.00 0.00 N ATOM 1229 OXT ASN A 77 73.714 2.044 5.925 1.00 0.00 O ATOM 0 H ASN A 77 74.782 1.012 9.910 1.00 0.00 H new ATOM 0 HA ASN A 77 75.181 0.149 7.244 1.00 0.00 H new ATOM 0 HB2 ASN A 77 73.195 -0.060 9.150 1.00 0.00 H new ATOM 0 HB3 ASN A 77 72.442 1.046 8.018 1.00 0.00 H new ATOM 0 HD21 ASN A 77 71.863 -2.575 6.895 1.00 0.00 H new ATOM 0 HD22 ASN A 77 71.585 -1.725 8.419 1.00 0.00 H new TER 1236 ASN A 77