USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 741 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0804 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 51:sc= -0.946 USER MOD Single : A 13 THR OG1 : rot -159:sc= -0.664 USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= -0.0429 (180deg=-0.224) USER MOD Single : A 17 MET CE :methyl 180:sc=-0.00556 (180deg=-0.00555) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= -1.07! (180deg=-1.3!) USER MOD Single : A 23 ASN : amide:sc= -1.19 K(o=-1.2,f=-5!) USER MOD Single : A 24 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.0384) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -87:sc= -0.936 USER MOD Single : A 38 MET CE :methyl 176:sc= 0 (180deg=-0.00269) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.354) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.27) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-4.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.0442 K(o=0.044,f=-1) USER MOD Single : A 78 ASN : amide:sc= 0.301 X(o=0.3,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc=-0.00523 X(o=-0.0052,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.092 16.849 20.580 1.00 0.00 N ATOM 2 CA GLY A 1 6.802 17.397 20.955 1.00 0.00 C ATOM 3 C GLY A 1 5.667 16.830 20.125 1.00 0.00 C ATOM 4 O GLY A 1 5.222 15.706 20.356 1.00 0.00 O ATOM 0 H1 GLY A 1 8.834 17.268 21.176 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.083 15.818 20.713 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.285 17.068 19.582 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.616 17.190 22.009 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.824 18.481 20.842 1.00 0.00 H new ATOM 8 N SER A 2 5.197 17.610 19.157 1.00 0.00 N ATOM 9 CA SER A 2 4.103 17.181 18.293 1.00 0.00 C ATOM 10 C SER A 2 3.817 18.226 17.219 1.00 0.00 C ATOM 11 O SER A 2 3.772 17.913 16.030 1.00 0.00 O ATOM 12 CB SER A 2 2.842 16.924 19.121 1.00 0.00 C ATOM 13 OG SER A 2 2.620 17.972 20.049 1.00 0.00 O ATOM 0 H SER A 2 5.556 18.542 18.951 1.00 0.00 H new ATOM 0 HA SER A 2 4.402 16.255 17.803 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.981 16.831 18.459 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.939 15.977 19.653 1.00 0.00 H new ATOM 0 HG SER A 2 1.808 17.786 20.565 1.00 0.00 H new ATOM 19 N SER A 3 3.624 19.469 17.649 1.00 0.00 N ATOM 20 CA SER A 3 3.338 20.561 16.726 1.00 0.00 C ATOM 21 C SER A 3 1.924 20.442 16.164 1.00 0.00 C ATOM 22 O SER A 3 1.048 21.244 16.483 1.00 0.00 O ATOM 23 CB SER A 3 4.354 20.569 15.582 1.00 0.00 C ATOM 24 OG SER A 3 5.649 20.234 16.048 1.00 0.00 O ATOM 0 H SER A 3 3.661 19.745 18.630 1.00 0.00 H new ATOM 0 HA SER A 3 3.414 21.498 17.277 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.046 19.860 14.813 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.375 21.555 15.117 1.00 0.00 H new ATOM 0 HG SER A 3 6.279 20.244 15.298 1.00 0.00 H new ATOM 30 N GLY A 4 1.710 19.433 15.325 1.00 0.00 N ATOM 31 CA GLY A 4 0.402 19.226 14.732 1.00 0.00 C ATOM 32 C GLY A 4 0.141 17.770 14.398 1.00 0.00 C ATOM 33 O GLY A 4 0.812 16.878 14.915 1.00 0.00 O ATOM 0 H GLY A 4 2.419 18.755 15.046 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.366 19.581 15.420 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.319 19.824 13.825 1.00 0.00 H new ATOM 37 N SER A 5 -0.840 17.530 13.533 1.00 0.00 N ATOM 38 CA SER A 5 -1.192 16.172 13.136 1.00 0.00 C ATOM 39 C SER A 5 -0.101 15.561 12.262 1.00 0.00 C ATOM 40 O SER A 5 0.540 16.255 11.474 1.00 0.00 O ATOM 41 CB SER A 5 -2.525 16.168 12.384 1.00 0.00 C ATOM 42 OG SER A 5 -2.322 16.276 10.986 1.00 0.00 O ATOM 0 H SER A 5 -1.404 18.258 13.094 1.00 0.00 H new ATOM 0 HA SER A 5 -1.290 15.570 14.039 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.069 15.250 12.606 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.144 16.996 12.730 1.00 0.00 H new ATOM 0 HG SER A 5 -3.188 16.270 10.528 1.00 0.00 H new ATOM 48 N SER A 6 0.104 14.256 12.410 1.00 0.00 N ATOM 49 CA SER A 6 1.120 13.550 11.638 1.00 0.00 C ATOM 50 C SER A 6 0.543 13.035 10.323 1.00 0.00 C ATOM 51 O SER A 6 -0.642 13.206 10.043 1.00 0.00 O ATOM 52 CB SER A 6 1.689 12.384 12.449 1.00 0.00 C ATOM 53 OG SER A 6 2.567 12.848 13.461 1.00 0.00 O ATOM 0 H SER A 6 -0.420 13.666 13.057 1.00 0.00 H new ATOM 0 HA SER A 6 1.922 14.253 11.413 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.874 11.819 12.901 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.221 11.701 11.786 1.00 0.00 H new ATOM 0 HG SER A 6 2.916 12.084 13.966 1.00 0.00 H new ATOM 59 N GLY A 7 1.393 12.403 9.518 1.00 0.00 N ATOM 60 CA GLY A 7 0.950 11.872 8.242 1.00 0.00 C ATOM 61 C GLY A 7 0.193 10.567 8.388 1.00 0.00 C ATOM 62 O GLY A 7 -0.886 10.530 8.978 1.00 0.00 O ATOM 0 H GLY A 7 2.380 12.250 9.727 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.312 12.605 7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.815 11.717 7.597 1.00 0.00 H new ATOM 66 N PHE A 8 0.759 9.493 7.847 1.00 0.00 N ATOM 67 CA PHE A 8 0.129 8.180 7.917 1.00 0.00 C ATOM 68 C PHE A 8 1.139 7.114 8.332 1.00 0.00 C ATOM 69 O PHE A 8 2.108 6.849 7.620 1.00 0.00 O ATOM 70 CB PHE A 8 -0.489 7.814 6.566 1.00 0.00 C ATOM 71 CG PHE A 8 -1.784 8.522 6.288 1.00 0.00 C ATOM 72 CD1 PHE A 8 -2.985 7.999 6.741 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.802 9.709 5.575 1.00 0.00 C ATOM 74 CE1 PHE A 8 -4.179 8.647 6.487 1.00 0.00 C ATOM 75 CE2 PHE A 8 -2.992 10.362 5.317 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.182 9.831 5.775 1.00 0.00 C ATOM 0 H PHE A 8 1.653 9.506 7.355 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.659 8.222 8.669 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.222 8.050 5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.658 6.738 6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.988 7.074 7.299 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.874 10.130 5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.108 8.229 6.845 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.992 11.286 4.758 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.113 10.341 5.577 1.00 0.00 H new ATOM 86 N THR A 9 0.906 6.505 9.491 1.00 0.00 N ATOM 87 CA THR A 9 1.794 5.470 10.003 1.00 0.00 C ATOM 88 C THR A 9 1.041 4.166 10.239 1.00 0.00 C ATOM 89 O THR A 9 -0.090 4.172 10.727 1.00 0.00 O ATOM 90 CB THR A 9 2.467 5.907 11.318 1.00 0.00 C ATOM 91 OG1 THR A 9 1.771 7.027 11.875 1.00 0.00 O ATOM 92 CG2 THR A 9 3.924 6.273 11.085 1.00 0.00 C ATOM 0 H THR A 9 0.109 6.712 10.093 1.00 0.00 H new ATOM 0 HA THR A 9 2.562 5.310 9.246 1.00 0.00 H new ATOM 0 HB THR A 9 2.427 5.071 12.016 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.204 7.298 12.712 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.378 6.578 12.028 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.457 5.409 10.689 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.983 7.095 10.371 1.00 0.00 H new ATOM 100 N CYS A 10 1.673 3.051 9.892 1.00 0.00 N ATOM 101 CA CYS A 10 1.062 1.739 10.067 1.00 0.00 C ATOM 102 C CYS A 10 1.290 1.216 11.481 1.00 0.00 C ATOM 103 O CYS A 10 2.409 1.212 11.995 1.00 0.00 O ATOM 104 CB CYS A 10 1.628 0.749 9.047 1.00 0.00 C ATOM 105 SG CYS A 10 0.665 -0.772 8.881 1.00 0.00 S ATOM 0 H CYS A 10 2.609 3.029 9.487 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.011 1.842 9.906 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.685 1.238 8.075 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.647 0.491 9.334 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.586 -0.475 8.691 1.00 0.00 H new ATOM 111 N PRO A 11 0.205 0.766 12.129 1.00 0.00 N ATOM 112 CA PRO A 11 0.261 0.235 13.493 1.00 0.00 C ATOM 113 C PRO A 11 0.980 -1.108 13.563 1.00 0.00 C ATOM 114 O PRO A 11 1.274 -1.610 14.649 1.00 0.00 O ATOM 115 CB PRO A 11 -1.213 0.072 13.872 1.00 0.00 C ATOM 116 CG PRO A 11 -1.922 -0.091 12.572 1.00 0.00 C ATOM 117 CD PRO A 11 -1.160 0.742 11.578 1.00 0.00 C ATOM 0 HA PRO A 11 0.817 0.891 14.163 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.363 -0.795 14.516 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.580 0.942 14.417 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.945 -1.138 12.268 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.957 0.241 12.648 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.184 0.300 10.582 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.576 1.746 11.492 1.00 0.00 H new ATOM 125 N ILE A 12 1.261 -1.685 12.400 1.00 0.00 N ATOM 126 CA ILE A 12 1.947 -2.969 12.330 1.00 0.00 C ATOM 127 C ILE A 12 3.443 -2.781 12.101 1.00 0.00 C ATOM 128 O ILE A 12 4.258 -3.077 12.976 1.00 0.00 O ATOM 129 CB ILE A 12 1.374 -3.853 11.206 1.00 0.00 C ATOM 130 CG1 ILE A 12 -0.125 -4.073 11.415 1.00 0.00 C ATOM 131 CG2 ILE A 12 2.108 -5.185 11.154 1.00 0.00 C ATOM 132 CD1 ILE A 12 -0.808 -4.735 10.239 1.00 0.00 C ATOM 0 H ILE A 12 1.024 -1.283 11.493 1.00 0.00 H new ATOM 0 HA ILE A 12 1.788 -3.465 13.288 1.00 0.00 H new ATOM 0 HB ILE A 12 1.518 -3.343 10.253 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.274 -4.687 12.304 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.602 -3.112 11.608 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.692 -5.799 10.355 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.167 -5.010 10.963 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.992 -5.702 12.107 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.869 -4.860 10.457 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.691 -4.112 9.352 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.358 -5.711 10.059 1.00 0.00 H new ATOM 144 N THR A 13 3.798 -2.286 10.920 1.00 0.00 N ATOM 145 CA THR A 13 5.196 -2.057 10.576 1.00 0.00 C ATOM 146 C THR A 13 5.773 -0.889 11.366 1.00 0.00 C ATOM 147 O THR A 13 6.989 -0.757 11.502 1.00 0.00 O ATOM 148 CB THR A 13 5.365 -1.778 9.071 1.00 0.00 C ATOM 149 OG1 THR A 13 4.357 -0.863 8.626 1.00 0.00 O ATOM 150 CG2 THR A 13 5.278 -3.067 8.267 1.00 0.00 C ATOM 0 H THR A 13 3.136 -2.036 10.185 1.00 0.00 H new ATOM 0 HA THR A 13 5.738 -2.967 10.833 1.00 0.00 H new ATOM 0 HB THR A 13 6.350 -1.338 8.915 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.249 -0.942 7.655 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.400 -2.844 7.207 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.065 -3.749 8.587 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.306 -3.533 8.430 1.00 0.00 H new ATOM 158 N LYS A 14 4.892 -0.041 11.888 1.00 0.00 N ATOM 159 CA LYS A 14 5.313 1.117 12.667 1.00 0.00 C ATOM 160 C LYS A 14 6.122 2.085 11.810 1.00 0.00 C ATOM 161 O LYS A 14 7.035 2.748 12.301 1.00 0.00 O ATOM 162 CB LYS A 14 6.143 0.671 13.874 1.00 0.00 C ATOM 163 CG LYS A 14 5.513 -0.466 14.658 1.00 0.00 C ATOM 164 CD LYS A 14 4.150 -0.078 15.207 1.00 0.00 C ATOM 165 CE LYS A 14 3.947 -0.603 16.620 1.00 0.00 C ATOM 166 NZ LYS A 14 4.839 0.080 17.598 1.00 0.00 N ATOM 0 H LYS A 14 3.882 -0.135 11.785 1.00 0.00 H new ATOM 0 HA LYS A 14 4.419 1.632 13.019 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.130 0.361 13.531 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.289 1.522 14.539 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.412 -1.340 14.015 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.170 -0.750 15.480 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.051 1.007 15.204 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.369 -0.471 14.556 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.907 -0.460 16.915 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.139 -1.676 16.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.431 0.004 18.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.777 -0.369 17.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.932 1.083 17.341 1.00 0.00 H new ATOM 180 N GLU A 15 5.780 2.161 10.528 1.00 0.00 N ATOM 181 CA GLU A 15 6.475 3.049 9.604 1.00 0.00 C ATOM 182 C GLU A 15 5.498 3.678 8.614 1.00 0.00 C ATOM 183 O GLU A 15 4.340 3.271 8.527 1.00 0.00 O ATOM 184 CB GLU A 15 7.563 2.284 8.847 1.00 0.00 C ATOM 185 CG GLU A 15 8.404 1.384 9.736 1.00 0.00 C ATOM 186 CD GLU A 15 9.831 1.245 9.243 1.00 0.00 C ATOM 187 OE1 GLU A 15 10.035 0.610 8.187 1.00 0.00 O ATOM 188 OE2 GLU A 15 10.744 1.772 9.913 1.00 0.00 O ATOM 0 H GLU A 15 5.026 1.619 10.106 1.00 0.00 H new ATOM 0 HA GLU A 15 6.939 3.845 10.186 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.096 1.679 8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.216 2.998 8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.411 1.785 10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.944 0.397 9.787 1.00 0.00 H new ATOM 195 N GLU A 16 5.975 4.672 7.871 1.00 0.00 N ATOM 196 CA GLU A 16 5.143 5.357 6.889 1.00 0.00 C ATOM 197 C GLU A 16 4.474 4.358 5.950 1.00 0.00 C ATOM 198 O GLU A 16 5.027 3.297 5.659 1.00 0.00 O ATOM 199 CB GLU A 16 5.982 6.350 6.081 1.00 0.00 C ATOM 200 CG GLU A 16 5.202 7.568 5.615 1.00 0.00 C ATOM 201 CD GLU A 16 5.986 8.857 5.770 1.00 0.00 C ATOM 202 OE1 GLU A 16 6.358 9.190 6.915 1.00 0.00 O ATOM 203 OE2 GLU A 16 6.227 9.532 4.748 1.00 0.00 O ATOM 0 H GLU A 16 6.932 5.020 7.930 1.00 0.00 H new ATOM 0 HA GLU A 16 4.366 5.901 7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.825 6.679 6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.396 5.840 5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.925 7.439 4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.275 7.640 6.183 1.00 0.00 H new ATOM 210 N MET A 17 3.280 4.704 5.480 1.00 0.00 N ATOM 211 CA MET A 17 2.536 3.837 4.573 1.00 0.00 C ATOM 212 C MET A 17 2.549 4.396 3.154 1.00 0.00 C ATOM 213 O MET A 17 2.230 5.564 2.932 1.00 0.00 O ATOM 214 CB MET A 17 1.093 3.676 5.057 1.00 0.00 C ATOM 215 CG MET A 17 0.979 3.409 6.549 1.00 0.00 C ATOM 216 SD MET A 17 -0.547 2.554 6.986 1.00 0.00 S ATOM 217 CE MET A 17 -1.764 3.803 6.575 1.00 0.00 C ATOM 0 H MET A 17 2.807 5.578 5.712 1.00 0.00 H new ATOM 0 HA MET A 17 3.020 2.860 4.564 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.534 4.580 4.814 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.625 2.856 4.513 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.831 2.812 6.874 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.028 4.355 7.088 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.763 3.423 6.790 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.581 4.699 7.169 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.690 4.048 5.516 1.00 0.00 H new ATOM 227 N LYS A 18 2.921 3.554 2.195 1.00 0.00 N ATOM 228 CA LYS A 18 2.975 3.963 0.797 1.00 0.00 C ATOM 229 C LYS A 18 1.723 3.515 0.050 1.00 0.00 C ATOM 230 O LYS A 18 1.231 4.215 -0.835 1.00 0.00 O ATOM 231 CB LYS A 18 4.220 3.381 0.122 1.00 0.00 C ATOM 232 CG LYS A 18 5.523 3.832 0.759 1.00 0.00 C ATOM 233 CD LYS A 18 5.827 5.285 0.438 1.00 0.00 C ATOM 234 CE LYS A 18 7.059 5.416 -0.445 1.00 0.00 C ATOM 235 NZ LYS A 18 8.318 5.353 0.347 1.00 0.00 N ATOM 0 H LYS A 18 3.189 2.584 2.361 1.00 0.00 H new ATOM 0 HA LYS A 18 3.026 5.051 0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.166 2.293 0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.221 3.668 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.465 3.702 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.339 3.202 0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.970 5.735 -0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.982 5.838 1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.058 4.620 -1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.018 6.360 -0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.134 5.446 -0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.331 6.128 1.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.370 4.441 0.845 1.00 0.00 H new ATOM 249 N LYS A 19 1.210 2.344 0.413 1.00 0.00 N ATOM 250 CA LYS A 19 0.014 1.803 -0.220 1.00 0.00 C ATOM 251 C LYS A 19 -1.070 1.523 0.815 1.00 0.00 C ATOM 252 O LYS A 19 -1.241 0.396 1.282 1.00 0.00 O ATOM 253 CB LYS A 19 0.351 0.518 -0.981 1.00 0.00 C ATOM 254 CG LYS A 19 0.810 0.760 -2.409 1.00 0.00 C ATOM 255 CD LYS A 19 2.308 0.554 -2.555 1.00 0.00 C ATOM 256 CE LYS A 19 2.682 0.177 -3.981 1.00 0.00 C ATOM 257 NZ LYS A 19 4.076 -0.339 -4.070 1.00 0.00 N ATOM 0 H LYS A 19 1.605 1.751 1.143 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.362 2.546 -0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.132 -0.019 -0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.527 -0.127 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.282 0.084 -3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.550 1.775 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.831 1.466 -2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.637 -0.229 -1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.990 -0.580 -4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.575 1.048 -4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.293 -0.585 -5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.739 0.392 -3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.172 -1.185 -3.473 1.00 0.00 H new ATOM 271 N PRO A 20 -1.823 2.570 1.184 1.00 0.00 N ATOM 272 CA PRO A 20 -2.905 2.461 2.167 1.00 0.00 C ATOM 273 C PRO A 20 -4.094 1.670 1.634 1.00 0.00 C ATOM 274 O PRO A 20 -4.569 1.915 0.525 1.00 0.00 O ATOM 275 CB PRO A 20 -3.302 3.918 2.420 1.00 0.00 C ATOM 276 CG PRO A 20 -2.905 4.640 1.179 1.00 0.00 C ATOM 277 CD PRO A 20 -1.675 3.942 0.669 1.00 0.00 C ATOM 0 HA PRO A 20 -2.589 1.929 3.064 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.372 4.010 2.606 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.790 4.322 3.294 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.705 4.612 0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.700 5.690 1.387 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.625 3.959 -0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.764 4.413 1.037 1.00 0.00 H new ATOM 285 N VAL A 21 -4.572 0.720 2.431 1.00 0.00 N ATOM 286 CA VAL A 21 -5.708 -0.107 2.040 1.00 0.00 C ATOM 287 C VAL A 21 -6.808 -0.064 3.095 1.00 0.00 C ATOM 288 O VAL A 21 -6.541 -0.184 4.291 1.00 0.00 O ATOM 289 CB VAL A 21 -5.285 -1.571 1.814 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.371 -1.682 0.603 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.607 -2.127 3.057 1.00 0.00 C ATOM 0 H VAL A 21 -4.190 0.504 3.352 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.090 0.301 1.104 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.179 -2.164 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.083 -2.723 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.896 -1.325 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.479 -1.077 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.315 -3.162 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.721 -1.534 3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.298 -2.084 3.899 1.00 0.00 H new ATOM 301 N LYS A 22 -8.046 0.106 2.644 1.00 0.00 N ATOM 302 CA LYS A 22 -9.189 0.163 3.548 1.00 0.00 C ATOM 303 C LYS A 22 -9.971 -1.146 3.518 1.00 0.00 C ATOM 304 O LYS A 22 -10.039 -1.816 2.489 1.00 0.00 O ATOM 305 CB LYS A 22 -10.107 1.328 3.170 1.00 0.00 C ATOM 306 CG LYS A 22 -11.122 1.676 4.245 1.00 0.00 C ATOM 307 CD LYS A 22 -12.295 2.454 3.672 1.00 0.00 C ATOM 308 CE LYS A 22 -13.143 1.587 2.754 1.00 0.00 C ATOM 309 NZ LYS A 22 -13.473 2.286 1.481 1.00 0.00 N ATOM 0 H LYS A 22 -8.284 0.207 1.657 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.814 0.318 4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.497 2.207 2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.636 1.079 2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.485 0.761 4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.640 2.265 5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.912 2.836 4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.925 3.318 3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.610 0.662 2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.065 1.309 3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.147 1.713 0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.898 3.211 1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.605 2.423 0.925 1.00 0.00 H new ATOM 323 N ASN A 23 -10.562 -1.503 4.654 1.00 0.00 N ATOM 324 CA ASN A 23 -11.341 -2.731 4.758 1.00 0.00 C ATOM 325 C ASN A 23 -12.820 -2.461 4.498 1.00 0.00 C ATOM 326 O ASN A 23 -13.298 -1.340 4.672 1.00 0.00 O ATOM 327 CB ASN A 23 -11.161 -3.359 6.141 1.00 0.00 C ATOM 328 CG ASN A 23 -10.958 -4.860 6.073 1.00 0.00 C ATOM 329 OD1 ASN A 23 -10.366 -5.375 5.125 1.00 0.00 O ATOM 330 ND2 ASN A 23 -11.451 -5.570 7.081 1.00 0.00 N ATOM 0 H ASN A 23 -10.516 -0.959 5.515 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.978 -3.426 4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.304 -2.901 6.636 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.036 -3.141 6.753 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.346 -6.585 7.090 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.935 -5.101 7.847 1.00 0.00 H new ATOM 337 N LYS A 24 -13.540 -3.496 4.080 1.00 0.00 N ATOM 338 CA LYS A 24 -14.965 -3.373 3.798 1.00 0.00 C ATOM 339 C LYS A 24 -15.797 -3.760 5.017 1.00 0.00 C ATOM 340 O LYS A 24 -16.939 -3.324 5.165 1.00 0.00 O ATOM 341 CB LYS A 24 -15.348 -4.254 2.606 1.00 0.00 C ATOM 342 CG LYS A 24 -14.384 -4.148 1.437 1.00 0.00 C ATOM 343 CD LYS A 24 -15.111 -3.836 0.141 1.00 0.00 C ATOM 344 CE LYS A 24 -15.735 -2.449 0.172 1.00 0.00 C ATOM 345 NZ LYS A 24 -17.219 -2.505 0.067 1.00 0.00 N ATOM 0 H LYS A 24 -13.160 -4.430 3.929 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.173 -2.331 3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.396 -5.293 2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.347 -3.979 2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.649 -3.369 1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.835 -5.084 1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.414 -3.904 -0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.887 -4.582 -0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.455 -1.946 1.098 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.335 -1.853 -0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.627 -1.623 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.492 -2.620 -0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.576 -3.311 0.619 1.00 0.00 H new ATOM 359 N VAL A 25 -15.217 -4.579 5.888 1.00 0.00 N ATOM 360 CA VAL A 25 -15.904 -5.022 7.095 1.00 0.00 C ATOM 361 C VAL A 25 -15.864 -3.946 8.175 1.00 0.00 C ATOM 362 O VAL A 25 -16.897 -3.390 8.551 1.00 0.00 O ATOM 363 CB VAL A 25 -15.282 -6.316 7.652 1.00 0.00 C ATOM 364 CG1 VAL A 25 -16.125 -6.867 8.792 1.00 0.00 C ATOM 365 CG2 VAL A 25 -15.124 -7.349 6.547 1.00 0.00 C ATOM 0 H VAL A 25 -14.273 -4.949 5.780 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.940 -5.216 6.817 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.292 -6.083 8.045 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.669 -7.781 9.172 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -16.181 -6.129 9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.129 -7.086 8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.683 -8.257 6.958 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.101 -7.580 6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.475 -6.951 5.767 1.00 0.00 H new ATOM 375 N CYS A 26 -14.666 -3.657 8.671 1.00 0.00 N ATOM 376 CA CYS A 26 -14.490 -2.648 9.709 1.00 0.00 C ATOM 377 C CYS A 26 -14.428 -1.249 9.102 1.00 0.00 C ATOM 378 O CYS A 26 -15.196 -0.364 9.476 1.00 0.00 O ATOM 379 CB CYS A 26 -13.216 -2.926 10.509 1.00 0.00 C ATOM 380 SG CYS A 26 -12.834 -1.660 11.762 1.00 0.00 S ATOM 0 H CYS A 26 -13.802 -4.108 8.371 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.349 -2.697 10.378 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.314 -3.893 11.003 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.376 -3.004 9.819 1.00 0.00 H new ATOM 385 N GLY A 27 -13.507 -1.058 8.162 1.00 0.00 N ATOM 386 CA GLY A 27 -13.361 0.234 7.519 1.00 0.00 C ATOM 387 C GLY A 27 -12.020 0.878 7.808 1.00 0.00 C ATOM 388 O GLY A 27 -11.655 1.877 7.187 1.00 0.00 O ATOM 0 H GLY A 27 -12.860 -1.775 7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.479 0.116 6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.159 0.896 7.856 1.00 0.00 H new ATOM 392 N HIS A 28 -11.282 0.306 8.754 1.00 0.00 N ATOM 393 CA HIS A 28 -9.973 0.831 9.125 1.00 0.00 C ATOM 394 C HIS A 28 -9.047 0.888 7.914 1.00 0.00 C ATOM 395 O HIS A 28 -9.435 0.520 6.804 1.00 0.00 O ATOM 396 CB HIS A 28 -9.346 -0.031 10.221 1.00 0.00 C ATOM 397 CG HIS A 28 -9.551 0.512 11.602 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.754 -0.291 12.704 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.583 1.787 12.056 1.00 0.00 C ATOM 400 CE1 HIS A 28 -9.903 0.466 13.776 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.803 1.731 13.410 1.00 0.00 N ATOM 0 H HIS A 28 -11.568 -0.521 9.278 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.110 1.844 9.504 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.768 -1.035 10.168 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.277 -0.124 10.031 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.459 2.681 11.464 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.077 0.111 14.781 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.877 2.536 14.032 1.00 0.00 H new ATOM 409 N THR A 29 -7.820 1.351 8.134 1.00 0.00 N ATOM 410 CA THR A 29 -6.840 1.458 7.061 1.00 0.00 C ATOM 411 C THR A 29 -5.478 0.940 7.507 1.00 0.00 C ATOM 412 O THR A 29 -5.053 1.176 8.638 1.00 0.00 O ATOM 413 CB THR A 29 -6.690 2.914 6.579 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.510 3.779 7.373 1.00 0.00 O ATOM 415 CG2 THR A 29 -7.078 3.042 5.114 1.00 0.00 C ATOM 0 H THR A 29 -7.482 1.658 9.046 1.00 0.00 H new ATOM 0 HA THR A 29 -7.207 0.846 6.237 1.00 0.00 H new ATOM 0 HB THR A 29 -5.645 3.204 6.688 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.408 4.703 7.062 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.964 4.079 4.797 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.433 2.404 4.510 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.116 2.735 4.984 1.00 0.00 H new ATOM 423 N TYR A 30 -4.797 0.233 6.612 1.00 0.00 N ATOM 424 CA TYR A 30 -3.483 -0.321 6.914 1.00 0.00 C ATOM 425 C TYR A 30 -2.573 -0.265 5.691 1.00 0.00 C ATOM 426 O TYR A 30 -2.990 0.159 4.614 1.00 0.00 O ATOM 427 CB TYR A 30 -3.614 -1.765 7.400 1.00 0.00 C ATOM 428 CG TYR A 30 -4.850 -2.013 8.235 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.924 -1.573 9.550 1.00 0.00 C ATOM 430 CD2 TYR A 30 -5.944 -2.689 7.708 1.00 0.00 C ATOM 431 CE1 TYR A 30 -6.052 -1.798 10.317 1.00 0.00 C ATOM 432 CE2 TYR A 30 -7.076 -2.917 8.466 1.00 0.00 C ATOM 433 CZ TYR A 30 -7.125 -2.470 9.770 1.00 0.00 C ATOM 434 OH TYR A 30 -8.250 -2.696 10.529 1.00 0.00 O ATOM 0 H TYR A 30 -5.134 0.030 5.671 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.036 0.282 7.704 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.630 -2.430 6.537 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.732 -2.024 7.986 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.086 -1.046 9.981 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.908 -3.042 6.688 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.093 -1.450 11.338 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.918 -3.442 8.040 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.143 -3.530 11.033 1.00 0.00 H new ATOM 444 N GLU A 31 -1.328 -0.697 5.867 1.00 0.00 N ATOM 445 CA GLU A 31 -0.359 -0.696 4.778 1.00 0.00 C ATOM 446 C GLU A 31 -0.426 -2.000 3.989 1.00 0.00 C ATOM 447 O GLU A 31 -0.679 -3.065 4.551 1.00 0.00 O ATOM 448 CB GLU A 31 1.056 -0.490 5.324 1.00 0.00 C ATOM 449 CG GLU A 31 2.147 -0.737 4.297 1.00 0.00 C ATOM 450 CD GLU A 31 3.367 0.136 4.519 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.796 0.271 5.684 1.00 0.00 O ATOM 452 OE2 GLU A 31 3.892 0.684 3.527 1.00 0.00 O ATOM 0 H GLU A 31 -0.967 -1.052 6.753 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.606 0.128 4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.146 0.529 5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.210 -1.157 6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.444 -1.785 4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.750 -0.552 3.299 1.00 0.00 H new ATOM 459 N GLU A 32 -0.198 -1.907 2.682 1.00 0.00 N ATOM 460 CA GLU A 32 -0.234 -3.079 1.816 1.00 0.00 C ATOM 461 C GLU A 32 0.697 -4.170 2.337 1.00 0.00 C ATOM 462 O GLU A 32 0.246 -5.224 2.786 1.00 0.00 O ATOM 463 CB GLU A 32 0.159 -2.697 0.387 1.00 0.00 C ATOM 464 CG GLU A 32 -0.295 -3.702 -0.658 1.00 0.00 C ATOM 465 CD GLU A 32 -0.051 -3.220 -2.075 1.00 0.00 C ATOM 466 OE1 GLU A 32 1.111 -2.895 -2.399 1.00 0.00 O ATOM 467 OE2 GLU A 32 -1.021 -3.167 -2.860 1.00 0.00 O ATOM 0 H GLU A 32 0.013 -1.033 2.201 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.253 -3.466 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.267 -1.722 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.243 -2.593 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.231 -4.644 -0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.358 -3.904 -0.525 1.00 0.00 H new ATOM 474 N ASP A 33 1.998 -3.909 2.273 1.00 0.00 N ATOM 475 CA ASP A 33 2.994 -4.868 2.738 1.00 0.00 C ATOM 476 C ASP A 33 2.663 -5.354 4.146 1.00 0.00 C ATOM 477 O ASP A 33 2.975 -6.488 4.510 1.00 0.00 O ATOM 478 CB ASP A 33 4.388 -4.238 2.717 1.00 0.00 C ATOM 479 CG ASP A 33 4.670 -3.500 1.423 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.204 -3.964 0.362 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.358 -2.459 1.472 1.00 0.00 O ATOM 0 H ASP A 33 2.388 -3.042 1.904 1.00 0.00 H new ATOM 0 HA ASP A 33 2.981 -5.725 2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.484 -3.547 3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.138 -5.017 2.859 1.00 0.00 H new ATOM 486 N ALA A 34 2.032 -4.489 4.932 1.00 0.00 N ATOM 487 CA ALA A 34 1.659 -4.831 6.299 1.00 0.00 C ATOM 488 C ALA A 34 0.559 -5.887 6.320 1.00 0.00 C ATOM 489 O ALA A 34 0.755 -6.991 6.829 1.00 0.00 O ATOM 490 CB ALA A 34 1.212 -3.587 7.052 1.00 0.00 C ATOM 0 H ALA A 34 1.768 -3.546 4.646 1.00 0.00 H new ATOM 0 HA ALA A 34 2.536 -5.247 6.795 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.937 -3.858 8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.027 -2.864 7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.351 -3.147 6.549 1.00 0.00 H new ATOM 496 N ILE A 35 -0.598 -5.541 5.765 1.00 0.00 N ATOM 497 CA ILE A 35 -1.729 -6.460 5.720 1.00 0.00 C ATOM 498 C ILE A 35 -1.399 -7.696 4.891 1.00 0.00 C ATOM 499 O ILE A 35 -2.041 -8.738 5.028 1.00 0.00 O ATOM 500 CB ILE A 35 -2.982 -5.782 5.135 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.212 -6.668 5.343 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.781 -5.484 3.656 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.540 -6.914 6.799 1.00 0.00 C ATOM 0 H ILE A 35 -0.777 -4.631 5.340 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.935 -6.759 6.748 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.144 -4.839 5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.071 -6.203 4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.048 -7.626 4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.675 -5.005 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.927 -4.819 3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.597 -6.415 3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.423 -7.549 6.871 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.697 -7.407 7.283 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.736 -5.963 7.293 1.00 0.00 H new ATOM 515 N VAL A 36 -0.393 -7.575 4.030 1.00 0.00 N ATOM 516 CA VAL A 36 0.024 -8.684 3.180 1.00 0.00 C ATOM 517 C VAL A 36 1.000 -9.599 3.911 1.00 0.00 C ATOM 518 O VAL A 36 0.951 -10.820 3.763 1.00 0.00 O ATOM 519 CB VAL A 36 0.684 -8.179 1.883 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.294 -9.337 1.109 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.327 -7.430 1.028 1.00 0.00 C ATOM 0 H VAL A 36 0.148 -6.720 3.903 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.876 -9.245 2.927 1.00 0.00 H new ATOM 0 HB VAL A 36 1.484 -7.488 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.756 -8.961 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.050 -9.827 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.514 -10.054 0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.156 -7.080 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.150 -8.096 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.713 -6.576 1.585 1.00 0.00 H new ATOM 531 N ARG A 37 1.886 -9.000 4.701 1.00 0.00 N ATOM 532 CA ARG A 37 2.874 -9.762 5.455 1.00 0.00 C ATOM 533 C ARG A 37 2.269 -10.316 6.741 1.00 0.00 C ATOM 534 O ARG A 37 2.752 -11.305 7.290 1.00 0.00 O ATOM 535 CB ARG A 37 4.083 -8.883 5.785 1.00 0.00 C ATOM 536 CG ARG A 37 3.838 -7.918 6.933 1.00 0.00 C ATOM 537 CD ARG A 37 5.072 -7.079 7.227 1.00 0.00 C ATOM 538 NE ARG A 37 5.792 -7.558 8.404 1.00 0.00 N ATOM 539 CZ ARG A 37 7.030 -7.188 8.710 1.00 0.00 C ATOM 540 NH1 ARG A 37 7.682 -6.337 7.930 1.00 0.00 N ATOM 541 NH2 ARG A 37 7.618 -7.668 9.798 1.00 0.00 N ATOM 0 H ARG A 37 1.939 -7.990 4.835 1.00 0.00 H new ATOM 0 HA ARG A 37 3.199 -10.599 4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.930 -9.523 6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.362 -8.315 4.897 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.001 -7.264 6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.555 -8.476 7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.737 -7.097 6.363 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.777 -6.041 7.380 1.00 0.00 H new ATOM 0 HE ARG A 37 5.318 -8.213 9.025 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.233 -5.965 7.093 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.633 -6.054 8.167 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.119 -8.322 10.401 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.569 -7.383 10.032 1.00 0.00 H new ATOM 555 N MET A 38 1.208 -9.671 7.215 1.00 0.00 N ATOM 556 CA MET A 38 0.536 -10.100 8.436 1.00 0.00 C ATOM 557 C MET A 38 -0.309 -11.344 8.183 1.00 0.00 C ATOM 558 O MET A 38 -0.123 -12.374 8.831 1.00 0.00 O ATOM 559 CB MET A 38 -0.344 -8.973 8.982 1.00 0.00 C ATOM 560 CG MET A 38 -1.234 -9.403 10.137 1.00 0.00 C ATOM 561 SD MET A 38 -2.989 -9.321 9.728 1.00 0.00 S ATOM 562 CE MET A 38 -3.486 -7.876 10.662 1.00 0.00 C ATOM 0 H MET A 38 0.795 -8.850 6.772 1.00 0.00 H new ATOM 0 HA MET A 38 1.299 -10.345 9.174 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.293 -8.152 9.311 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.969 -8.588 8.176 1.00 0.00 H new ATOM 0 HG2 MET A 38 -0.980 -10.422 10.427 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.036 -8.767 11.000 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.533 -7.652 10.456 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.359 -8.070 11.727 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.869 -7.025 10.372 1.00 0.00 H new ATOM 572 N ILE A 39 -1.238 -11.240 7.238 1.00 0.00 N ATOM 573 CA ILE A 39 -2.111 -12.358 6.900 1.00 0.00 C ATOM 574 C ILE A 39 -1.301 -13.604 6.560 1.00 0.00 C ATOM 575 O ILE A 39 -1.627 -14.707 6.998 1.00 0.00 O ATOM 576 CB ILE A 39 -3.029 -12.016 5.712 1.00 0.00 C ATOM 577 CG1 ILE A 39 -3.884 -10.789 6.037 1.00 0.00 C ATOM 578 CG2 ILE A 39 -3.911 -13.205 5.365 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.550 -10.178 4.824 1.00 0.00 C ATOM 0 H ILE A 39 -1.405 -10.394 6.693 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.726 -12.555 7.778 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.408 -11.784 4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.651 -11.071 6.759 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.258 -10.036 6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.554 -12.948 4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.285 -14.056 5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.527 -13.465 6.226 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.139 -9.313 5.129 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.788 -9.864 4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.203 -10.915 4.357 1.00 0.00 H new ATOM 591 N GLU A 40 -0.243 -13.420 5.776 1.00 0.00 N ATOM 592 CA GLU A 40 0.614 -14.530 5.378 1.00 0.00 C ATOM 593 C GLU A 40 1.363 -15.098 6.580 1.00 0.00 C ATOM 594 O GLU A 40 1.727 -16.274 6.599 1.00 0.00 O ATOM 595 CB GLU A 40 1.612 -14.076 4.310 1.00 0.00 C ATOM 596 CG GLU A 40 0.999 -13.933 2.927 1.00 0.00 C ATOM 597 CD GLU A 40 1.624 -14.870 1.912 1.00 0.00 C ATOM 598 OE1 GLU A 40 1.530 -16.100 2.105 1.00 0.00 O ATOM 599 OE2 GLU A 40 2.208 -14.374 0.926 1.00 0.00 O ATOM 0 H GLU A 40 0.041 -12.513 5.404 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.020 -15.314 4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.041 -13.120 4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.432 -14.793 4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.072 -14.129 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.116 -12.904 2.586 1.00 0.00 H new ATOM 606 N SER A 41 1.590 -14.254 7.581 1.00 0.00 N ATOM 607 CA SER A 41 2.299 -14.669 8.786 1.00 0.00 C ATOM 608 C SER A 41 1.344 -15.324 9.780 1.00 0.00 C ATOM 609 O SER A 41 1.758 -16.119 10.623 1.00 0.00 O ATOM 610 CB SER A 41 2.987 -13.468 9.438 1.00 0.00 C ATOM 611 OG SER A 41 3.719 -13.861 10.586 1.00 0.00 O ATOM 0 H SER A 41 1.293 -13.278 7.582 1.00 0.00 H new ATOM 0 HA SER A 41 3.055 -15.400 8.499 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.657 -12.995 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.241 -12.724 9.716 1.00 0.00 H new ATOM 0 HG SER A 41 4.150 -13.076 10.983 1.00 0.00 H new ATOM 617 N ARG A 42 0.064 -14.983 9.673 1.00 0.00 N ATOM 618 CA ARG A 42 -0.950 -15.536 10.562 1.00 0.00 C ATOM 619 C ARG A 42 -1.408 -16.909 10.078 1.00 0.00 C ATOM 620 O ARG A 42 -1.387 -17.881 10.832 1.00 0.00 O ATOM 621 CB ARG A 42 -2.149 -14.590 10.653 1.00 0.00 C ATOM 622 CG ARG A 42 -1.784 -13.186 11.108 1.00 0.00 C ATOM 623 CD ARG A 42 -2.099 -12.979 12.581 1.00 0.00 C ATOM 624 NE ARG A 42 -1.385 -11.832 13.137 1.00 0.00 N ATOM 625 CZ ARG A 42 -0.087 -11.841 13.421 1.00 0.00 C ATOM 626 NH1 ARG A 42 0.634 -12.932 13.203 1.00 0.00 N ATOM 627 NH2 ARG A 42 0.491 -10.758 13.924 1.00 0.00 N ATOM 0 H ARG A 42 -0.295 -14.327 8.980 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.507 -15.648 11.552 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.631 -14.533 9.677 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.880 -15.009 11.345 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.723 -13.010 10.933 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.330 -12.455 10.512 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.172 -12.833 12.705 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.833 -13.877 13.138 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.912 -10.977 13.317 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.192 -13.766 12.817 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.630 -12.937 13.422 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.061 -9.917 14.093 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.487 -10.766 14.142 1.00 0.00 H new ATOM 641 N GLN A 43 -1.820 -16.979 8.817 1.00 0.00 N ATOM 642 CA GLN A 43 -2.284 -18.233 8.234 1.00 0.00 C ATOM 643 C GLN A 43 -1.262 -19.344 8.451 1.00 0.00 C ATOM 644 O GLN A 43 -1.605 -20.437 8.904 1.00 0.00 O ATOM 645 CB GLN A 43 -2.552 -18.055 6.738 1.00 0.00 C ATOM 646 CG GLN A 43 -4.006 -18.269 6.351 1.00 0.00 C ATOM 647 CD GLN A 43 -4.237 -19.596 5.656 1.00 0.00 C ATOM 648 OE1 GLN A 43 -4.223 -20.652 6.289 1.00 0.00 O ATOM 649 NE2 GLN A 43 -4.450 -19.549 4.346 1.00 0.00 N ATOM 0 H GLN A 43 -1.842 -16.183 8.179 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.212 -18.515 8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.249 -17.051 6.440 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.929 -18.754 6.180 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.627 -18.219 7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.326 -17.459 5.695 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.453 -18.651 3.862 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.611 -20.411 3.824 1.00 0.00 H new ATOM 658 N LYS A 44 -0.006 -19.059 8.125 1.00 0.00 N ATOM 659 CA LYS A 44 1.066 -20.034 8.285 1.00 0.00 C ATOM 660 C LYS A 44 1.147 -20.523 9.727 1.00 0.00 C ATOM 661 O LYS A 44 1.629 -21.623 9.994 1.00 0.00 O ATOM 662 CB LYS A 44 2.405 -19.423 7.866 1.00 0.00 C ATOM 663 CG LYS A 44 2.924 -18.374 8.835 1.00 0.00 C ATOM 664 CD LYS A 44 4.098 -18.897 9.646 1.00 0.00 C ATOM 665 CE LYS A 44 5.355 -19.012 8.796 1.00 0.00 C ATOM 666 NZ LYS A 44 6.303 -20.023 9.342 1.00 0.00 N ATOM 0 H LYS A 44 0.295 -18.160 7.748 1.00 0.00 H new ATOM 0 HA LYS A 44 0.846 -20.887 7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.145 -20.218 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.297 -18.972 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.229 -17.486 8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.122 -18.070 9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.286 -18.230 10.488 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.848 -19.873 10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.081 -19.284 7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.849 -18.042 8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.146 -20.072 8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.585 -19.750 10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.841 -20.954 9.367 1.00 0.00 H new ATOM 680 N ARG A 45 0.670 -19.698 10.654 1.00 0.00 N ATOM 681 CA ARG A 45 0.688 -20.047 12.069 1.00 0.00 C ATOM 682 C ARG A 45 -0.704 -20.448 12.548 1.00 0.00 C ATOM 683 O ARG A 45 -1.018 -20.347 13.735 1.00 0.00 O ATOM 684 CB ARG A 45 1.205 -18.871 12.900 1.00 0.00 C ATOM 685 CG ARG A 45 2.673 -18.557 12.662 1.00 0.00 C ATOM 686 CD ARG A 45 3.344 -18.042 13.926 1.00 0.00 C ATOM 687 NE ARG A 45 3.596 -16.604 13.865 1.00 0.00 N ATOM 688 CZ ARG A 45 4.043 -15.892 14.893 1.00 0.00 C ATOM 689 NH1 ARG A 45 4.287 -16.481 16.056 1.00 0.00 N ATOM 690 NH2 ARG A 45 4.247 -14.588 14.759 1.00 0.00 N ATOM 0 H ARG A 45 0.267 -18.784 10.450 1.00 0.00 H new ATOM 0 HA ARG A 45 1.357 -20.897 12.199 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.611 -17.986 12.671 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.056 -19.090 13.957 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.187 -19.454 12.316 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.763 -17.812 11.871 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.713 -18.263 14.787 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.286 -18.569 14.077 1.00 0.00 H new ATOM 0 HE ARG A 45 3.419 -16.121 12.985 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.131 -17.483 16.163 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.630 -15.932 16.844 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.060 -14.132 13.866 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.590 -14.042 15.549 1.00 0.00 H new ATOM 704 N LYS A 46 -1.536 -20.903 11.618 1.00 0.00 N ATOM 705 CA LYS A 46 -2.895 -21.320 11.943 1.00 0.00 C ATOM 706 C LYS A 46 -3.625 -20.234 12.726 1.00 0.00 C ATOM 707 O LYS A 46 -4.372 -20.523 13.661 1.00 0.00 O ATOM 708 CB LYS A 46 -2.872 -22.619 12.752 1.00 0.00 C ATOM 709 CG LYS A 46 -2.404 -23.824 11.956 1.00 0.00 C ATOM 710 CD LYS A 46 -1.173 -24.462 12.579 1.00 0.00 C ATOM 711 CE LYS A 46 -1.526 -25.241 13.837 1.00 0.00 C ATOM 712 NZ LYS A 46 -1.123 -24.513 15.072 1.00 0.00 N ATOM 0 H LYS A 46 -1.293 -20.993 10.631 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.429 -21.490 11.008 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.219 -22.488 13.615 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.873 -22.815 13.137 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.207 -24.559 11.901 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.179 -23.520 10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.702 -25.129 11.857 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.444 -23.689 12.821 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.600 -25.427 13.859 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.034 -26.213 13.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.060 -25.183 15.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.197 -24.064 14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.831 -23.783 15.291 1.00 0.00 H new ATOM 726 N LYS A 47 -3.406 -18.982 12.337 1.00 0.00 N ATOM 727 CA LYS A 47 -4.045 -17.852 13.000 1.00 0.00 C ATOM 728 C LYS A 47 -4.989 -17.125 12.048 1.00 0.00 C ATOM 729 O LYS A 47 -5.207 -17.564 10.919 1.00 0.00 O ATOM 730 CB LYS A 47 -2.987 -16.879 13.528 1.00 0.00 C ATOM 731 CG LYS A 47 -2.973 -16.758 15.042 1.00 0.00 C ATOM 732 CD LYS A 47 -2.258 -15.496 15.494 1.00 0.00 C ATOM 733 CE LYS A 47 -1.508 -15.717 16.799 1.00 0.00 C ATOM 734 NZ LYS A 47 -1.773 -14.631 17.782 1.00 0.00 N ATOM 0 H LYS A 47 -2.790 -18.725 11.565 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.627 -18.236 13.838 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.004 -17.206 13.189 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.163 -15.894 13.095 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.997 -16.751 15.417 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.481 -17.630 15.473 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.559 -15.176 14.721 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.983 -14.692 15.621 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.801 -16.675 17.228 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.438 -15.772 16.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.244 -14.818 18.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.470 -13.720 17.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.791 -14.595 17.994 1.00 0.00 H new ATOM 748 N LYS A 48 -5.545 -16.010 12.510 1.00 0.00 N ATOM 749 CA LYS A 48 -6.464 -15.220 11.699 1.00 0.00 C ATOM 750 C LYS A 48 -6.084 -13.743 11.730 1.00 0.00 C ATOM 751 O LYS A 48 -5.479 -13.268 12.690 1.00 0.00 O ATOM 752 CB LYS A 48 -7.900 -15.399 12.198 1.00 0.00 C ATOM 753 CG LYS A 48 -8.194 -14.651 13.486 1.00 0.00 C ATOM 754 CD LYS A 48 -9.015 -15.495 14.446 1.00 0.00 C ATOM 755 CE LYS A 48 -8.169 -16.576 15.101 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.957 -17.811 15.368 1.00 0.00 N ATOM 0 H LYS A 48 -5.375 -15.633 13.442 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.397 -15.573 10.670 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.589 -15.059 11.425 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.092 -16.461 12.352 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.257 -14.364 13.963 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.731 -13.730 13.259 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.449 -14.855 15.215 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.844 -15.956 13.909 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.324 -16.817 14.456 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.758 -16.198 16.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.345 -18.523 15.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.749 -17.587 16.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.328 -18.186 14.472 1.00 0.00 H new ATOM 770 N ALA A 49 -6.444 -13.022 10.673 1.00 0.00 N ATOM 771 CA ALA A 49 -6.144 -11.599 10.581 1.00 0.00 C ATOM 772 C ALA A 49 -7.175 -10.770 11.340 1.00 0.00 C ATOM 773 O ALA A 49 -8.348 -10.729 10.969 1.00 0.00 O ATOM 774 CB ALA A 49 -6.085 -11.165 9.124 1.00 0.00 C ATOM 0 H ALA A 49 -6.944 -13.401 9.868 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.170 -11.428 11.040 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.860 -10.100 9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.306 -11.727 8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.047 -11.357 8.648 1.00 0.00 H new ATOM 780 N TYR A 50 -6.730 -10.112 12.405 1.00 0.00 N ATOM 781 CA TYR A 50 -7.615 -9.287 13.218 1.00 0.00 C ATOM 782 C TYR A 50 -7.207 -7.819 13.149 1.00 0.00 C ATOM 783 O TYR A 50 -6.057 -7.495 12.849 1.00 0.00 O ATOM 784 CB TYR A 50 -7.599 -9.765 14.671 1.00 0.00 C ATOM 785 CG TYR A 50 -6.211 -10.048 15.201 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.639 -11.307 15.068 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.471 -9.055 15.832 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.372 -11.570 15.551 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.203 -9.309 16.317 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.658 -10.568 16.174 1.00 0.00 C ATOM 791 OH TYR A 50 -2.394 -10.826 16.655 1.00 0.00 O ATOM 0 H TYR A 50 -5.762 -10.134 12.725 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.626 -9.383 12.822 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.071 -9.009 15.298 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.202 -10.669 14.754 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.194 -12.093 14.579 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.895 -8.068 15.945 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.943 -12.555 15.441 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.641 -8.526 16.805 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.028 -10.014 17.064 1.00 0.00 H new ATOM 801 N CYS A 51 -8.157 -6.933 13.430 1.00 0.00 N ATOM 802 CA CYS A 51 -7.899 -5.499 13.400 1.00 0.00 C ATOM 803 C CYS A 51 -6.664 -5.151 14.226 1.00 0.00 C ATOM 804 O CYS A 51 -6.698 -5.120 15.457 1.00 0.00 O ATOM 805 CB CYS A 51 -9.113 -4.731 13.929 1.00 0.00 C ATOM 806 SG CYS A 51 -10.137 -3.973 12.627 1.00 0.00 S ATOM 0 H CYS A 51 -9.113 -7.184 13.681 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.716 -5.209 12.365 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.733 -5.410 14.514 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.768 -3.950 14.607 1.00 0.00 H new ATOM 811 N PRO A 52 -5.547 -4.883 13.535 1.00 0.00 N ATOM 812 CA PRO A 52 -4.280 -4.531 14.184 1.00 0.00 C ATOM 813 C PRO A 52 -4.325 -3.154 14.836 1.00 0.00 C ATOM 814 O PRO A 52 -3.431 -2.790 15.599 1.00 0.00 O ATOM 815 CB PRO A 52 -3.275 -4.544 13.029 1.00 0.00 C ATOM 816 CG PRO A 52 -4.091 -4.272 11.813 1.00 0.00 C ATOM 817 CD PRO A 52 -5.434 -4.900 12.067 1.00 0.00 C ATOM 0 HA PRO A 52 -4.031 -5.219 14.992 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.504 -3.785 13.166 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.767 -5.506 12.958 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.188 -3.200 11.640 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.623 -4.697 10.925 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.238 -4.334 11.596 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.484 -5.915 11.672 1.00 0.00 H new ATOM 825 N GLN A 53 -5.371 -2.393 14.529 1.00 0.00 N ATOM 826 CA GLN A 53 -5.531 -1.055 15.086 1.00 0.00 C ATOM 827 C GLN A 53 -5.811 -1.119 16.584 1.00 0.00 C ATOM 828 O GLN A 53 -6.924 -1.436 17.004 1.00 0.00 O ATOM 829 CB GLN A 53 -6.665 -0.315 14.374 1.00 0.00 C ATOM 830 CG GLN A 53 -6.790 1.144 14.782 1.00 0.00 C ATOM 831 CD GLN A 53 -5.446 1.837 14.891 1.00 0.00 C ATOM 832 OE1 GLN A 53 -4.962 2.109 15.990 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.835 2.126 13.748 1.00 0.00 N ATOM 0 H GLN A 53 -6.119 -2.680 13.898 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.599 -0.511 14.932 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.504 -0.370 13.297 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.606 -0.824 14.582 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.407 1.669 14.053 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.305 1.206 15.740 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.273 1.882 12.860 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.928 2.592 13.758 1.00 0.00 H new ATOM 842 N ILE A 54 -4.795 -0.815 17.385 1.00 0.00 N ATOM 843 CA ILE A 54 -4.932 -0.838 18.836 1.00 0.00 C ATOM 844 C ILE A 54 -6.138 -0.019 19.286 1.00 0.00 C ATOM 845 O ILE A 54 -6.117 1.210 19.245 1.00 0.00 O ATOM 846 CB ILE A 54 -3.669 -0.295 19.529 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.445 -1.120 19.127 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.849 -0.306 21.040 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.130 -0.472 19.500 1.00 0.00 C ATOM 0 H ILE A 54 -3.868 -0.550 17.053 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.075 -1.880 19.124 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.510 0.735 19.208 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.505 -2.099 19.601 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.466 -1.286 18.050 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.948 0.081 21.517 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.699 0.320 21.310 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.029 -1.327 21.378 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.306 -1.113 19.185 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.048 0.495 19.004 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.087 -0.331 20.580 1.00 0.00 H new ATOM 861 N GLY A 55 -7.188 -0.710 19.718 1.00 0.00 N ATOM 862 CA GLY A 55 -8.388 -0.031 20.172 1.00 0.00 C ATOM 863 C GLY A 55 -9.650 -0.624 19.577 1.00 0.00 C ATOM 864 O GLY A 55 -10.745 -0.426 20.103 1.00 0.00 O ATOM 0 H GLY A 55 -7.229 -1.728 19.762 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.443 -0.085 21.259 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.327 1.025 19.908 1.00 0.00 H new ATOM 868 N CYS A 56 -9.498 -1.352 18.476 1.00 0.00 N ATOM 869 CA CYS A 56 -10.634 -1.975 17.807 1.00 0.00 C ATOM 870 C CYS A 56 -10.972 -3.318 18.447 1.00 0.00 C ATOM 871 O CYS A 56 -10.109 -3.977 19.027 1.00 0.00 O ATOM 872 CB CYS A 56 -10.334 -2.166 16.319 1.00 0.00 C ATOM 873 SG CYS A 56 -11.800 -2.045 15.244 1.00 0.00 S ATOM 0 H CYS A 56 -8.598 -1.525 18.028 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.495 -1.315 17.915 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.605 -1.418 16.007 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.870 -3.142 16.175 1.00 0.00 H new ATOM 878 N SER A 57 -12.235 -3.719 18.336 1.00 0.00 N ATOM 879 CA SER A 57 -12.689 -4.982 18.906 1.00 0.00 C ATOM 880 C SER A 57 -12.788 -6.059 17.830 1.00 0.00 C ATOM 881 O SER A 57 -12.690 -7.252 18.119 1.00 0.00 O ATOM 882 CB SER A 57 -14.047 -4.799 19.587 1.00 0.00 C ATOM 883 OG SER A 57 -13.972 -5.117 20.967 1.00 0.00 O ATOM 0 H SER A 57 -12.962 -3.187 17.857 1.00 0.00 H new ATOM 0 HA SER A 57 -11.958 -5.301 19.649 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.383 -3.769 19.465 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.789 -5.435 19.104 1.00 0.00 H new ATOM 0 HG SER A 57 -14.852 -4.991 21.380 1.00 0.00 H new ATOM 889 N HIS A 58 -12.983 -5.629 16.588 1.00 0.00 N ATOM 890 CA HIS A 58 -13.095 -6.556 15.467 1.00 0.00 C ATOM 891 C HIS A 58 -11.916 -7.523 15.442 1.00 0.00 C ATOM 892 O HIS A 58 -10.840 -7.221 15.958 1.00 0.00 O ATOM 893 CB HIS A 58 -13.167 -5.787 14.147 1.00 0.00 C ATOM 894 CG HIS A 58 -13.784 -6.571 13.030 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.039 -7.136 13.111 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.312 -6.881 11.800 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.312 -7.762 11.979 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.280 -7.622 11.167 1.00 0.00 N ATOM 0 H HIS A 58 -13.067 -4.645 16.332 1.00 0.00 H new ATOM 0 HA HIS A 58 -14.012 -7.132 15.594 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.742 -4.873 14.299 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.161 -5.486 13.856 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.660 -7.080 13.918 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.353 -6.598 11.392 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.224 -8.297 11.756 1.00 0.00 H new ATOM 906 N THR A 59 -12.125 -8.689 14.838 1.00 0.00 N ATOM 907 CA THR A 59 -11.081 -9.702 14.748 1.00 0.00 C ATOM 908 C THR A 59 -11.304 -10.616 13.549 1.00 0.00 C ATOM 909 O THR A 59 -10.974 -11.801 13.590 1.00 0.00 O ATOM 910 CB THR A 59 -11.016 -10.558 16.027 1.00 0.00 C ATOM 911 OG1 THR A 59 -12.339 -10.903 16.453 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.297 -9.813 17.141 1.00 0.00 C ATOM 0 H THR A 59 -13.009 -8.955 14.404 1.00 0.00 H new ATOM 0 HA THR A 59 -10.136 -9.172 14.627 1.00 0.00 H new ATOM 0 HB THR A 59 -10.459 -11.467 15.801 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.289 -11.449 17.266 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.264 -10.437 18.034 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.281 -9.578 16.825 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.831 -8.889 17.364 1.00 0.00 H new ATOM 920 N ASP A 60 -11.865 -10.058 12.481 1.00 0.00 N ATOM 921 CA ASP A 60 -12.130 -10.823 11.269 1.00 0.00 C ATOM 922 C ASP A 60 -11.779 -10.011 10.026 1.00 0.00 C ATOM 923 O ASP A 60 -12.556 -9.161 9.589 1.00 0.00 O ATOM 924 CB ASP A 60 -13.599 -11.247 11.219 1.00 0.00 C ATOM 925 CG ASP A 60 -13.868 -12.501 12.027 1.00 0.00 C ATOM 926 OD1 ASP A 60 -13.444 -12.552 13.201 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.501 -13.432 11.486 1.00 0.00 O ATOM 0 H ASP A 60 -12.145 -9.078 12.431 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.503 -11.715 11.287 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.221 -10.435 11.596 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.890 -11.417 10.182 1.00 0.00 H new ATOM 932 N ILE A 61 -10.606 -10.278 9.463 1.00 0.00 N ATOM 933 CA ILE A 61 -10.153 -9.572 8.271 1.00 0.00 C ATOM 934 C ILE A 61 -9.760 -10.550 7.169 1.00 0.00 C ATOM 935 O ILE A 61 -9.016 -11.502 7.406 1.00 0.00 O ATOM 936 CB ILE A 61 -8.954 -8.656 8.580 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.327 -7.639 9.661 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.489 -7.948 7.317 1.00 0.00 C ATOM 939 CD1 ILE A 61 -8.165 -6.782 10.111 1.00 0.00 C ATOM 0 H ILE A 61 -9.952 -10.978 9.813 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.988 -8.960 7.930 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.133 -9.269 8.952 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.119 -6.993 9.283 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.732 -8.169 10.523 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.641 -7.304 7.552 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.189 -8.688 6.575 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.304 -7.344 6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.503 -6.085 10.878 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.380 -7.419 10.520 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.773 -6.224 9.260 1.00 0.00 H new ATOM 951 N ARG A 62 -10.264 -10.308 5.963 1.00 0.00 N ATOM 952 CA ARG A 62 -9.965 -11.167 4.823 1.00 0.00 C ATOM 953 C ARG A 62 -9.364 -10.359 3.676 1.00 0.00 C ATOM 954 O ARG A 62 -9.779 -9.230 3.414 1.00 0.00 O ATOM 955 CB ARG A 62 -11.232 -11.881 4.350 1.00 0.00 C ATOM 956 CG ARG A 62 -11.624 -13.065 5.218 1.00 0.00 C ATOM 957 CD ARG A 62 -12.269 -14.170 4.396 1.00 0.00 C ATOM 958 NE ARG A 62 -13.128 -15.026 5.208 1.00 0.00 N ATOM 959 CZ ARG A 62 -12.668 -15.978 6.012 1.00 0.00 C ATOM 960 NH1 ARG A 62 -11.364 -16.194 6.111 1.00 0.00 N ATOM 961 NH2 ARG A 62 -13.514 -16.717 6.720 1.00 0.00 N ATOM 0 H ARG A 62 -10.881 -9.524 5.750 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.235 -11.911 5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.055 -11.167 4.331 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.084 -12.225 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.741 -13.455 5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.316 -12.736 5.993 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.855 -13.727 3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.492 -14.775 3.929 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.137 -14.886 5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.711 -15.628 5.569 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.014 -16.926 6.729 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.518 -16.554 6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.160 -17.448 7.337 1.00 0.00 H new ATOM 975 N LYS A 63 -8.385 -10.945 2.996 1.00 0.00 N ATOM 976 CA LYS A 63 -7.727 -10.282 1.877 1.00 0.00 C ATOM 977 C LYS A 63 -8.743 -9.862 0.819 1.00 0.00 C ATOM 978 O LYS A 63 -8.511 -8.921 0.060 1.00 0.00 O ATOM 979 CB LYS A 63 -6.679 -11.206 1.254 1.00 0.00 C ATOM 980 CG LYS A 63 -5.462 -10.472 0.718 1.00 0.00 C ATOM 981 CD LYS A 63 -4.745 -11.285 -0.348 1.00 0.00 C ATOM 982 CE LYS A 63 -3.540 -12.015 0.225 1.00 0.00 C ATOM 983 NZ LYS A 63 -2.286 -11.671 -0.501 1.00 0.00 N ATOM 0 H LYS A 63 -8.029 -11.879 3.201 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.234 -9.387 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.356 -11.931 2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.140 -11.769 0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.769 -9.513 0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.775 -10.258 1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.436 -12.007 -0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.423 -10.626 -1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.430 -11.762 1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.708 -13.091 0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.488 -12.189 -0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.381 -11.935 -1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.112 -10.648 -0.428 1.00 0.00 H new ATOM 997 N SER A 64 -9.870 -10.566 0.776 1.00 0.00 N ATOM 998 CA SER A 64 -10.921 -10.268 -0.190 1.00 0.00 C ATOM 999 C SER A 64 -11.633 -8.967 0.166 1.00 0.00 C ATOM 1000 O SER A 64 -12.203 -8.302 -0.699 1.00 0.00 O ATOM 1001 CB SER A 64 -11.930 -11.417 -0.248 1.00 0.00 C ATOM 1002 OG SER A 64 -12.531 -11.504 -1.529 1.00 0.00 O ATOM 0 H SER A 64 -10.078 -11.346 1.399 1.00 0.00 H new ATOM 0 HA SER A 64 -10.458 -10.151 -1.170 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.430 -12.357 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.700 -11.268 0.509 1.00 0.00 H new ATOM 0 HG SER A 64 -13.170 -12.247 -1.541 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.597 -8.611 1.445 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.237 -7.389 1.918 1.00 0.00 C ATOM 1010 C ASP A 65 -11.235 -6.242 1.986 1.00 0.00 C ATOM 1011 O ASP A 65 -11.415 -5.291 2.749 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.866 -7.617 3.293 1.00 0.00 C ATOM 1013 CG ASP A 65 -14.277 -8.164 3.202 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -15.010 -7.760 2.276 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -14.648 -8.994 4.058 1.00 0.00 O ATOM 0 H ASP A 65 -11.131 -9.152 2.174 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.020 -7.120 1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.247 -8.311 3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.879 -6.676 3.844 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.179 -6.337 1.186 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.146 -5.307 1.156 1.00 0.00 C ATOM 1022 C LEU A 66 -9.222 -4.497 -0.134 1.00 0.00 C ATOM 1023 O LEU A 66 -9.164 -5.054 -1.232 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.761 -5.941 1.294 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.418 -6.512 2.670 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -6.029 -7.131 2.659 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.513 -5.430 3.735 1.00 0.00 C ATOM 0 H LEU A 66 -10.015 -7.117 0.549 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.315 -4.633 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.675 -6.741 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.013 -5.191 1.037 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.140 -7.293 2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.802 -7.532 3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.995 -7.935 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.294 -6.370 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.266 -5.854 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.814 -4.627 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.528 -5.032 3.760 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.349 -3.182 0.005 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.429 -2.296 -1.150 1.00 0.00 C ATOM 1041 C ILE A 67 -8.436 -1.145 -1.030 1.00 0.00 C ATOM 1042 O ILE A 67 -7.925 -0.866 0.054 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.847 -1.721 -1.321 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.336 -1.110 -0.006 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.804 -2.803 -1.797 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.547 -0.219 -0.166 1.00 0.00 C ATOM 0 H ILE A 67 -9.399 -2.706 0.906 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.181 -2.896 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.815 -0.935 -2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.576 -1.913 0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.526 -0.532 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.802 -2.381 -1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.462 -3.195 -2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.834 -3.610 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.837 0.179 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.306 0.605 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.372 -0.797 -0.582 1.00 0.00 H new ATOM 1058 N GLN A 68 -8.170 -0.481 -2.150 1.00 0.00 N ATOM 1059 CA GLN A 68 -7.239 0.641 -2.169 1.00 0.00 C ATOM 1060 C GLN A 68 -7.977 1.964 -1.990 1.00 0.00 C ATOM 1061 O GLN A 68 -8.866 2.301 -2.772 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.453 0.656 -3.481 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.876 -0.698 -3.860 1.00 0.00 C ATOM 1064 CD GLN A 68 -4.937 -0.621 -5.047 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -5.083 0.242 -5.914 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.965 -1.525 -5.094 1.00 0.00 N ATOM 0 H GLN A 68 -8.586 -0.700 -3.055 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.544 0.518 -1.338 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.107 1.000 -4.282 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.640 1.378 -3.400 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.342 -1.113 -3.005 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.691 -1.384 -4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.881 -2.222 -4.354 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.303 -1.522 -5.870 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.603 2.709 -0.955 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.229 3.996 -0.674 1.00 0.00 C ATOM 1077 C ASP A 69 -7.503 5.124 -1.399 1.00 0.00 C ATOM 1078 O ASP A 69 -6.338 5.405 -1.119 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.239 4.264 0.832 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.112 5.445 1.205 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -9.585 6.146 0.285 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.322 5.671 2.415 1.00 0.00 O ATOM 0 H ASP A 69 -6.870 2.444 -0.297 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.257 3.959 -1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.594 3.375 1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.220 4.448 1.172 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.199 5.765 -2.333 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.618 6.861 -3.100 1.00 0.00 C ATOM 1089 C GLU A 70 -7.627 8.155 -2.291 1.00 0.00 C ATOM 1090 O GLU A 70 -6.667 8.924 -2.320 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.385 7.060 -4.409 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.487 7.182 -5.628 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.265 7.171 -6.929 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.417 7.654 -6.936 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -7.723 6.678 -7.941 1.00 0.00 O ATOM 0 H GLU A 70 -9.165 5.545 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.584 6.602 -3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.066 6.221 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.998 7.958 -4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.913 8.106 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.771 6.361 -5.630 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.719 8.388 -1.570 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.853 9.588 -0.752 1.00 0.00 C ATOM 1104 C ALA A 71 -7.687 9.722 0.221 1.00 0.00 C ATOM 1105 O ALA A 71 -7.339 10.826 0.641 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.174 9.566 0.003 1.00 0.00 C ATOM 0 H ALA A 71 -9.524 7.762 -1.536 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.840 10.454 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.261 10.467 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.999 9.526 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.209 8.689 0.649 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.087 8.591 0.577 1.00 0.00 N ATOM 1113 CA LEU A 72 -5.959 8.582 1.502 1.00 0.00 C ATOM 1114 C LEU A 72 -4.635 8.655 0.748 1.00 0.00 C ATOM 1115 O LEU A 72 -3.751 9.436 1.100 1.00 0.00 O ATOM 1116 CB LEU A 72 -5.996 7.323 2.370 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.277 7.415 3.716 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -5.596 6.201 4.576 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -3.774 7.544 3.511 1.00 0.00 C ATOM 0 H LEU A 72 -7.363 7.669 0.239 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.040 9.460 2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.038 7.064 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.559 6.502 1.802 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.631 8.306 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.075 6.284 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.671 6.152 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.271 5.296 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.279 7.608 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.404 6.672 2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.561 8.444 2.934 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.507 7.838 -0.293 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.292 7.811 -1.098 1.00 0.00 C ATOM 1133 C ARG A 73 -2.940 9.209 -1.598 1.00 0.00 C ATOM 1134 O ARG A 73 -1.786 9.632 -1.529 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.462 6.860 -2.284 1.00 0.00 C ATOM 1136 CG ARG A 73 -2.606 5.608 -2.188 1.00 0.00 C ATOM 1137 CD ARG A 73 -1.906 5.309 -3.505 1.00 0.00 C ATOM 1138 NE ARG A 73 -2.849 4.913 -4.548 1.00 0.00 N ATOM 1139 CZ ARG A 73 -3.353 3.688 -4.657 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -3.006 2.746 -3.791 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -4.205 3.405 -5.633 1.00 0.00 N ATOM 0 H ARG A 73 -5.230 7.186 -0.598 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.477 7.454 -0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.510 6.569 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.213 7.391 -3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.863 5.733 -1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.230 4.760 -1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.354 6.191 -3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.176 4.514 -3.355 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.136 5.615 -5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.351 2.961 -3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.394 1.807 -3.877 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.474 4.128 -6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.591 2.465 -5.716 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.942 9.921 -2.103 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.738 11.270 -2.617 1.00 0.00 C ATOM 1157 C ARG A 74 -3.327 12.222 -1.498 1.00 0.00 C ATOM 1158 O ARG A 74 -2.653 13.223 -1.738 1.00 0.00 O ATOM 1159 CB ARG A 74 -5.013 11.779 -3.292 1.00 0.00 C ATOM 1160 CG ARG A 74 -5.201 11.263 -4.709 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.662 11.305 -5.129 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.813 11.392 -6.579 1.00 0.00 N ATOM 1163 CZ ARG A 74 -7.961 11.180 -7.212 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -9.053 10.871 -6.526 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -8.019 11.277 -8.534 1.00 0.00 N ATOM 0 H ARG A 74 -4.903 9.586 -2.167 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.935 11.234 -3.353 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.874 11.486 -2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.993 12.869 -3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.606 11.863 -5.398 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.831 10.240 -4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.170 10.412 -4.765 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.149 12.161 -4.662 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.992 11.629 -7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.012 10.796 -5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.933 10.709 -7.015 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.181 11.515 -9.065 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.901 11.114 -9.019 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.737 11.901 -0.275 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.410 12.727 0.881 1.00 0.00 C ATOM 1181 C ALA A 75 -1.932 12.610 1.238 1.00 0.00 C ATOM 1182 O ALA A 75 -1.255 13.615 1.454 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.275 12.337 2.070 1.00 0.00 C ATOM 0 H ALA A 75 -4.296 11.075 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.614 13.766 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.020 12.962 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.326 12.479 1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.100 11.291 2.320 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.439 11.377 1.300 1.00 0.00 N ATOM 1190 CA ILE A 76 -0.041 11.130 1.631 1.00 0.00 C ATOM 1191 C ILE A 76 0.889 11.889 0.691 1.00 0.00 C ATOM 1192 O ILE A 76 1.960 12.341 1.094 1.00 0.00 O ATOM 1193 CB ILE A 76 0.295 9.628 1.567 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.604 8.841 2.522 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.762 9.400 1.901 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.557 7.345 2.300 1.00 0.00 C ATOM 0 H ILE A 76 -1.987 10.534 1.125 1.00 0.00 H new ATOM 0 HA ILE A 76 0.110 11.485 2.651 1.00 0.00 H new ATOM 0 HB ILE A 76 0.114 9.272 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.308 9.057 3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.632 9.185 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.985 8.334 1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.386 9.935 1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.968 9.768 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.218 6.851 3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.882 7.117 1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.463 6.988 2.443 1.00 0.00 H new ATOM 1208 N GLU A 77 0.471 12.025 -0.564 1.00 0.00 N ATOM 1209 CA GLU A 77 1.267 12.730 -1.561 1.00 0.00 C ATOM 1210 C GLU A 77 1.154 14.241 -1.379 1.00 0.00 C ATOM 1211 O GLU A 77 2.107 14.980 -1.625 1.00 0.00 O ATOM 1212 CB GLU A 77 0.820 12.341 -2.972 1.00 0.00 C ATOM 1213 CG GLU A 77 1.712 11.301 -3.628 1.00 0.00 C ATOM 1214 CD GLU A 77 1.834 11.498 -5.126 1.00 0.00 C ATOM 1215 OE1 GLU A 77 2.230 12.604 -5.549 1.00 0.00 O ATOM 1216 OE2 GLU A 77 1.533 10.545 -5.876 1.00 0.00 O ATOM 0 H GLU A 77 -0.414 11.656 -0.914 1.00 0.00 H new ATOM 0 HA GLU A 77 2.309 12.442 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.199 11.957 -2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.798 13.234 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.704 11.343 -3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.313 10.307 -3.427 1.00 0.00 H new ATOM 1223 N ASN A 78 -0.018 14.692 -0.946 1.00 0.00 N ATOM 1224 CA ASN A 78 -0.258 16.115 -0.731 1.00 0.00 C ATOM 1225 C ASN A 78 0.661 16.663 0.357 1.00 0.00 C ATOM 1226 O ASN A 78 0.994 17.848 0.365 1.00 0.00 O ATOM 1227 CB ASN A 78 -1.720 16.355 -0.348 1.00 0.00 C ATOM 1228 CG ASN A 78 -2.278 17.622 -0.967 1.00 0.00 C ATOM 1229 OD1 ASN A 78 -3.274 17.585 -1.691 1.00 0.00 O ATOM 1230 ND2 ASN A 78 -1.638 18.751 -0.685 1.00 0.00 N ATOM 0 H ASN A 78 -0.817 14.093 -0.737 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.043 16.639 -1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.321 15.503 -0.666 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.803 16.416 0.737 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.968 19.635 -1.073 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.817 18.734 -0.080 1.00 0.00 H new ATOM 1237 N HIS A 79 1.069 15.791 1.274 1.00 0.00 N ATOM 1238 CA HIS A 79 1.950 16.187 2.367 1.00 0.00 C ATOM 1239 C HIS A 79 3.411 15.941 2.002 1.00 0.00 C ATOM 1240 O HIS A 79 4.309 16.611 2.510 1.00 0.00 O ATOM 1241 CB HIS A 79 1.595 15.421 3.641 1.00 0.00 C ATOM 1242 CG HIS A 79 2.388 15.847 4.838 1.00 0.00 C ATOM 1243 ND1 HIS A 79 2.245 17.082 5.435 1.00 0.00 N ATOM 1244 CD2 HIS A 79 3.336 15.194 5.550 1.00 0.00 C ATOM 1245 CE1 HIS A 79 3.072 17.170 6.461 1.00 0.00 C ATOM 1246 NE2 HIS A 79 3.745 16.037 6.553 1.00 0.00 N ATOM 0 H HIS A 79 0.804 14.806 1.282 1.00 0.00 H new ATOM 0 HA HIS A 79 1.812 17.254 2.544 1.00 0.00 H new ATOM 0 HB2 HIS A 79 0.534 15.555 3.852 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.754 14.356 3.471 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.702 14.195 5.364 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.180 18.023 7.114 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.453 15.823 7.255 1.00 0.00 H new ATOM 1254 N ASN A 80 3.641 14.974 1.119 1.00 0.00 N ATOM 1255 CA ASN A 80 4.993 14.639 0.688 1.00 0.00 C ATOM 1256 C ASN A 80 5.585 15.756 -0.166 1.00 0.00 C ATOM 1257 O ASN A 80 6.793 15.993 -0.148 1.00 0.00 O ATOM 1258 CB ASN A 80 4.989 13.328 -0.101 1.00 0.00 C ATOM 1259 CG ASN A 80 6.034 12.349 0.398 1.00 0.00 C ATOM 1260 OD1 ASN A 80 7.170 12.343 -0.077 1.00 0.00 O ATOM 1261 ND2 ASN A 80 5.654 11.517 1.360 1.00 0.00 N ATOM 0 H ASN A 80 2.909 14.409 0.688 1.00 0.00 H new ATOM 0 HA ASN A 80 5.611 14.519 1.578 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.003 12.869 -0.032 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.169 13.541 -1.155 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.314 10.836 1.736 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.702 11.558 1.723 1.00 0.00 H new ATOM 1268 N LYS A 81 4.726 16.442 -0.913 1.00 0.00 N ATOM 1269 CA LYS A 81 5.161 17.536 -1.772 1.00 0.00 C ATOM 1270 C LYS A 81 5.848 18.627 -0.957 1.00 0.00 C ATOM 1271 O LYS A 81 6.725 19.332 -1.458 1.00 0.00 O ATOM 1272 CB LYS A 81 3.967 18.124 -2.528 1.00 0.00 C ATOM 1273 CG LYS A 81 2.960 18.819 -1.628 1.00 0.00 C ATOM 1274 CD LYS A 81 3.211 20.316 -1.562 1.00 0.00 C ATOM 1275 CE LYS A 81 2.463 21.055 -2.662 1.00 0.00 C ATOM 1276 NZ LYS A 81 1.624 22.158 -2.117 1.00 0.00 N ATOM 0 H LYS A 81 3.723 16.259 -0.940 1.00 0.00 H new ATOM 0 HA LYS A 81 5.878 17.138 -2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.331 18.836 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.464 17.326 -3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.952 18.634 -1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.014 18.396 -0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.899 20.696 -0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.280 20.511 -1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.178 21.462 -3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.831 20.353 -3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.131 22.637 -2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.925 21.767 -1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.230 22.841 -1.619 1.00 0.00 H new ATOM 1290 N LYS A 82 5.446 18.761 0.302 1.00 0.00 N ATOM 1291 CA LYS A 82 6.024 19.765 1.188 1.00 0.00 C ATOM 1292 C LYS A 82 7.436 19.369 1.609 1.00 0.00 C ATOM 1293 O LYS A 82 8.332 20.211 1.676 1.00 0.00 O ATOM 1294 CB LYS A 82 5.144 19.950 2.426 1.00 0.00 C ATOM 1295 CG LYS A 82 4.036 20.972 2.237 1.00 0.00 C ATOM 1296 CD LYS A 82 3.835 21.813 3.487 1.00 0.00 C ATOM 1297 CE LYS A 82 2.728 21.250 4.365 1.00 0.00 C ATOM 1298 NZ LYS A 82 1.480 22.057 4.270 1.00 0.00 N ATOM 0 H LYS A 82 4.721 18.186 0.732 1.00 0.00 H new ATOM 0 HA LYS A 82 6.076 20.708 0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.700 18.991 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.770 20.256 3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.278 21.621 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.106 20.460 1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.765 21.853 4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.591 22.837 3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.519 20.222 4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.065 21.223 5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.750 21.641 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.673 23.032 4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.144 22.062 3.286 1.00 0.00 H new ATOM 1312 N ARG A 83 7.626 18.085 1.892 1.00 0.00 N ATOM 1313 CA ARG A 83 8.929 17.579 2.306 1.00 0.00 C ATOM 1314 C ARG A 83 9.371 18.225 3.616 1.00 0.00 C ATOM 1315 O ARG A 83 8.769 19.195 4.077 1.00 0.00 O ATOM 1316 CB ARG A 83 9.972 17.842 1.218 1.00 0.00 C ATOM 1317 CG ARG A 83 10.536 16.575 0.597 1.00 0.00 C ATOM 1318 CD ARG A 83 11.768 16.868 -0.245 1.00 0.00 C ATOM 1319 NE ARG A 83 11.901 15.938 -1.363 1.00 0.00 N ATOM 1320 CZ ARG A 83 12.385 14.707 -1.242 1.00 0.00 C ATOM 1321 NH1 ARG A 83 12.780 14.260 -0.058 1.00 0.00 N ATOM 1322 NH2 ARG A 83 12.475 13.920 -2.307 1.00 0.00 N ATOM 0 H ARG A 83 6.894 17.376 1.842 1.00 0.00 H new ATOM 0 HA ARG A 83 8.841 16.504 2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.522 18.451 0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.790 18.423 1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.792 15.866 1.384 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.774 16.102 -0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.712 17.888 -0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 83 12.658 16.810 0.382 1.00 0.00 H new ATOM 0 HE ARG A 83 11.606 16.251 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.713 14.862 0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.151 13.314 0.032 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.172 14.260 -3.220 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.847 12.975 -2.213 1.00 0.00 H new ATOM 1336 N HIS A 84 10.427 17.679 4.213 1.00 0.00 N ATOM 1337 CA HIS A 84 10.950 18.202 5.470 1.00 0.00 C ATOM 1338 C HIS A 84 12.378 18.709 5.295 1.00 0.00 C ATOM 1339 O HIS A 84 13.202 18.596 6.203 1.00 0.00 O ATOM 1340 CB HIS A 84 10.908 17.123 6.552 1.00 0.00 C ATOM 1341 CG HIS A 84 10.547 17.648 7.908 1.00 0.00 C ATOM 1342 ND1 HIS A 84 9.245 17.832 8.321 1.00 0.00 N ATOM 1343 CD2 HIS A 84 11.327 18.026 8.947 1.00 0.00 C ATOM 1344 CE1 HIS A 84 9.239 18.304 9.555 1.00 0.00 C ATOM 1345 NE2 HIS A 84 10.491 18.430 9.958 1.00 0.00 N ATOM 0 H HIS A 84 10.937 16.875 3.846 1.00 0.00 H new ATOM 0 HA HIS A 84 10.322 19.038 5.777 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.186 16.359 6.263 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.882 16.637 6.607 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.407 18.012 8.976 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.361 18.546 10.135 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.788 18.772 10.872 1.00 0.00 H new ATOM 1353 N ARG A 85 12.664 19.265 4.123 1.00 0.00 N ATOM 1354 CA ARG A 85 13.993 19.787 3.829 1.00 0.00 C ATOM 1355 C ARG A 85 15.038 18.676 3.882 1.00 0.00 C ATOM 1356 O ARG A 85 15.863 18.629 4.794 1.00 0.00 O ATOM 1357 CB ARG A 85 14.360 20.895 4.818 1.00 0.00 C ATOM 1358 CG ARG A 85 15.381 21.882 4.277 1.00 0.00 C ATOM 1359 CD ARG A 85 16.081 22.631 5.399 1.00 0.00 C ATOM 1360 NE ARG A 85 15.770 24.058 5.382 1.00 0.00 N ATOM 1361 CZ ARG A 85 16.359 24.948 6.173 1.00 0.00 C ATOM 1362 NH1 ARG A 85 17.285 24.560 7.039 1.00 0.00 N ATOM 1363 NH2 ARG A 85 16.021 26.229 6.099 1.00 0.00 N ATOM 0 H ARG A 85 11.993 19.366 3.361 1.00 0.00 H new ATOM 0 HA ARG A 85 13.978 20.200 2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.456 21.437 5.096 1.00 0.00 H new ATOM 0 HB3 ARG A 85 14.752 20.442 5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.120 21.351 3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.886 22.594 3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.784 22.207 6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.159 22.494 5.309 1.00 0.00 H new ATOM 0 HE ARG A 85 15.062 24.389 4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.547 23.576 7.099 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.736 25.246 7.645 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.308 26.531 5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.474 26.912 6.707 1.00 0.00 H new ATOM 1377 N HIS A 86 14.995 17.783 2.898 1.00 0.00 N ATOM 1378 CA HIS A 86 15.938 16.672 2.833 1.00 0.00 C ATOM 1379 C HIS A 86 17.167 17.050 2.013 1.00 0.00 C ATOM 1380 O HIS A 86 17.224 16.798 0.809 1.00 0.00 O ATOM 1381 CB HIS A 86 15.265 15.440 2.227 1.00 0.00 C ATOM 1382 CG HIS A 86 14.348 14.731 3.175 1.00 0.00 C ATOM 1383 ND1 HIS A 86 14.362 13.364 3.355 1.00 0.00 N ATOM 1384 CD2 HIS A 86 13.386 15.207 4.000 1.00 0.00 C ATOM 1385 CE1 HIS A 86 13.448 13.030 4.248 1.00 0.00 C ATOM 1386 NE2 HIS A 86 12.842 14.130 4.655 1.00 0.00 N ATOM 0 H HIS A 86 14.318 17.807 2.136 1.00 0.00 H new ATOM 0 HA HIS A 86 16.259 16.439 3.849 1.00 0.00 H new ATOM 0 HB2 HIS A 86 14.700 15.742 1.345 1.00 0.00 H new ATOM 0 HB3 HIS A 86 16.034 14.745 1.890 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.100 16.241 4.120 1.00 0.00 H new ATOM 0 HE1 HIS A 86 13.233 12.028 4.588 1.00 0.00 H new ATOM 0 HE2 HIS A 86 12.091 14.173 5.344 1.00 0.00 H new ATOM 1394 N SER A 87 18.149 17.657 2.672 1.00 0.00 N ATOM 1395 CA SER A 87 19.376 18.074 2.003 1.00 0.00 C ATOM 1396 C SER A 87 20.582 17.897 2.920 1.00 0.00 C ATOM 1397 O SER A 87 21.503 17.141 2.612 1.00 0.00 O ATOM 1398 CB SER A 87 19.268 19.534 1.559 1.00 0.00 C ATOM 1399 OG SER A 87 20.532 20.043 1.171 1.00 0.00 O ATOM 0 H SER A 87 18.119 17.871 3.669 1.00 0.00 H new ATOM 0 HA SER A 87 19.514 17.444 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.569 19.614 0.726 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.864 20.136 2.373 1.00 0.00 H new ATOM 0 HG SER A 87 20.436 20.977 0.890 1.00 0.00 H new ATOM 1405 N GLU A 88 20.568 18.599 4.049 1.00 0.00 N ATOM 1406 CA GLU A 88 21.661 18.520 5.011 1.00 0.00 C ATOM 1407 C GLU A 88 21.471 17.336 5.954 1.00 0.00 C ATOM 1408 O GLU A 88 20.446 17.221 6.625 1.00 0.00 O ATOM 1409 CB GLU A 88 21.756 19.818 5.816 1.00 0.00 C ATOM 1410 CG GLU A 88 23.179 20.207 6.177 1.00 0.00 C ATOM 1411 CD GLU A 88 23.328 20.582 7.639 1.00 0.00 C ATOM 1412 OE1 GLU A 88 23.161 21.776 7.965 1.00 0.00 O ATOM 1413 OE2 GLU A 88 23.612 19.683 8.457 1.00 0.00 O ATOM 0 H GLU A 88 19.812 19.228 4.320 1.00 0.00 H new ATOM 0 HA GLU A 88 22.589 18.376 4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 88 21.302 20.626 5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 88 21.174 19.711 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 88 23.848 19.377 5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 88 23.491 21.047 5.557 1.00 0.00 H new ATOM 1420 N SER A 89 22.467 16.457 5.998 1.00 0.00 N ATOM 1421 CA SER A 89 22.409 15.278 6.855 1.00 0.00 C ATOM 1422 C SER A 89 23.588 15.252 7.823 1.00 0.00 C ATOM 1423 O SER A 89 24.694 15.670 7.483 1.00 0.00 O ATOM 1424 CB SER A 89 22.402 14.005 6.007 1.00 0.00 C ATOM 1425 OG SER A 89 21.942 14.270 4.693 1.00 0.00 O ATOM 0 H SER A 89 23.324 16.539 5.450 1.00 0.00 H new ATOM 0 HA SER A 89 21.487 15.325 7.434 1.00 0.00 H new ATOM 0 HB2 SER A 89 23.407 13.586 5.966 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.763 13.256 6.475 1.00 0.00 H new ATOM 0 HG SER A 89 21.949 13.441 4.171 1.00 0.00 H new ATOM 1431 N GLY A 90 23.342 14.757 9.032 1.00 0.00 N ATOM 1432 CA GLY A 90 24.391 14.685 10.032 1.00 0.00 C ATOM 1433 C GLY A 90 23.844 14.529 11.437 1.00 0.00 C ATOM 1434 O GLY A 90 24.071 13.521 12.107 1.00 0.00 O ATOM 0 H GLY A 90 22.435 14.404 9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 90 25.047 13.845 9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 90 25.000 15.588 9.981 1.00 0.00 H new ATOM 1438 N PRO A 91 23.105 15.546 11.904 1.00 0.00 N ATOM 1439 CA PRO A 91 22.510 15.542 13.244 1.00 0.00 C ATOM 1440 C PRO A 91 21.375 14.531 13.371 1.00 0.00 C ATOM 1441 O PRO A 91 21.026 14.110 14.474 1.00 0.00 O ATOM 1442 CB PRO A 91 21.975 16.967 13.399 1.00 0.00 C ATOM 1443 CG PRO A 91 21.738 17.437 12.005 1.00 0.00 C ATOM 1444 CD PRO A 91 22.794 16.778 11.161 1.00 0.00 C ATOM 0 HA PRO A 91 23.232 15.257 14.009 1.00 0.00 H new ATOM 0 HB2 PRO A 91 21.055 16.983 13.984 1.00 0.00 H new ATOM 0 HB3 PRO A 91 22.692 17.605 13.915 1.00 0.00 H new ATOM 0 HG2 PRO A 91 20.739 17.163 11.665 1.00 0.00 H new ATOM 0 HG3 PRO A 91 21.809 18.523 11.942 1.00 0.00 H new ATOM 0 HD2 PRO A 91 22.428 16.561 10.157 1.00 0.00 H new ATOM 0 HD3 PRO A 91 23.673 17.413 11.049 1.00 0.00 H new ATOM 1452 N SER A 92 20.803 14.144 12.235 1.00 0.00 N ATOM 1453 CA SER A 92 19.706 13.184 12.219 1.00 0.00 C ATOM 1454 C SER A 92 20.235 11.754 12.188 1.00 0.00 C ATOM 1455 O SER A 92 21.443 11.526 12.259 1.00 0.00 O ATOM 1456 CB SER A 92 18.801 13.432 11.010 1.00 0.00 C ATOM 1457 OG SER A 92 19.304 12.782 9.856 1.00 0.00 O ATOM 0 H SER A 92 21.082 14.481 11.313 1.00 0.00 H new ATOM 0 HA SER A 92 19.126 13.318 13.132 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.795 13.072 11.225 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.723 14.503 10.823 1.00 0.00 H new ATOM 0 HG SER A 92 18.708 12.954 9.098 1.00 0.00 H new ATOM 1463 N SER A 93 19.322 10.794 12.083 1.00 0.00 N ATOM 1464 CA SER A 93 19.695 9.385 12.047 1.00 0.00 C ATOM 1465 C SER A 93 19.002 8.669 10.892 1.00 0.00 C ATOM 1466 O SER A 93 19.610 7.858 10.194 1.00 0.00 O ATOM 1467 CB SER A 93 19.337 8.706 13.371 1.00 0.00 C ATOM 1468 OG SER A 93 19.816 7.373 13.406 1.00 0.00 O ATOM 0 H SER A 93 18.319 10.966 12.021 1.00 0.00 H new ATOM 0 HA SER A 93 20.773 9.324 11.896 1.00 0.00 H new ATOM 0 HB2 SER A 93 19.763 9.271 14.200 1.00 0.00 H new ATOM 0 HB3 SER A 93 18.255 8.711 13.505 1.00 0.00 H new ATOM 0 HG SER A 93 19.576 6.962 14.262 1.00 0.00 H new ATOM 1474 N GLY A 94 17.723 8.975 10.695 1.00 0.00 N ATOM 1475 CA GLY A 94 16.967 8.353 9.625 1.00 0.00 C ATOM 1476 C GLY A 94 16.214 7.121 10.086 1.00 0.00 C ATOM 1477 O GLY A 94 14.992 7.081 9.954 1.00 0.00 O ATOM 0 H GLY A 94 17.197 9.643 11.258 1.00 0.00 H new ATOM 0 HA2 GLY A 94 16.260 9.075 9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.645 8.079 8.817 1.00 0.00 H new TER 1481 GLY A 94 HETATM 1482 ZN ZN A 201 -11.002 -1.893 13.033 1.00 0.00 ZN