USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 698 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 87 GLN : amide:sc= 0 X(o=-1.9,f=-1.9) USER MOD Set 1.2: A 93 GLN : amide:sc= -1.88 X(o=-1.9,f=-2.1!) USER MOD Set 2.1: A 31 HIS : no HE2:sc= -0.0336 X(o=-0.25,f=-0.61) USER MOD Set 2.2: A 35 HIS : no HE2:sc= 0.11 K(o=-0.25,f=-0.79) USER MOD Set 2.3: A 55 HIS : no HD1:sc= -0.331 K(o=-0.25,f=-4.8!) USER MOD Set 3.1: A 37 THR OG1 : rot -4:sc= 0.67 USER MOD Set 3.2: A 85 GLN :FLIP amide:sc= -0.887 F(o=-3.2!,f=-0.22) USER MOD Set 4.1: A 30 ASN : amide:sc= -0.0434 K(o=-0.36,f=-3.1) USER MOD Set 4.2: A 34 MET CE :methyl -105:sc= -0.313 (180deg=-0.165) USER MOD Single : A 4 THR OG1 : rot 140:sc= 0.787 USER MOD Single : A 5 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.05) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-3.5!,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0832 K(o=-0.083,f=-6.1!) USER MOD Single : A 28 GLN : amide:sc= -2.09 K(o=-2.1,f=-5.6!) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.129 F(o=-3.3!,f=-0.13) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0024 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.9) USER MOD Single : A 64 GLN : amide:sc= -1.01 K(o=-1,f=-2.8!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -3.07! F(o=-4.1,f=-3.1!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -1.96! C(o=-2!,f=-2.8!) USER MOD Single : A 81 GLN : amide:sc= -3.93! C(o=-3.9!,f=-8.3!) USER MOD Single : A 83 GLN : amide:sc= -0.667 K(o=-0.67,f=-1.8!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.21 K(o=-0.21,f=-0.74) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.563 K(o=-0.56,f=-4.8!) USER MOD Single : A 105 MET CE :methyl -129:sc= -0.187 (180deg=-1.68!) USER MOD Single : A 108 ASN : amide:sc= 0.272 K(o=0.27,f=-3.7!) USER MOD Single : A 109 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.036) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0.012) USER MOD Single : A 113 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -0.059 -10.389 4.036 1.00 0.00 N ATOM 35 CA CYS A 3 0.645 -11.020 5.080 1.00 0.00 C ATOM 36 C CYS A 3 0.796 -10.064 6.201 1.00 0.00 C ATOM 37 O CYS A 3 1.012 -8.855 5.974 1.00 0.00 O ATOM 38 CB CYS A 3 2.007 -11.479 4.627 1.00 0.00 C ATOM 39 SG CYS A 3 2.016 -12.586 3.174 1.00 0.00 S ATOM 0 HA CYS A 3 0.082 -11.898 5.397 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.610 -10.601 4.397 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.494 -11.992 5.457 1.00 0.00 H new ATOM 44 N THR A 4 0.657 -10.560 7.388 1.00 0.00 N ATOM 45 CA THR A 4 0.847 -9.764 8.542 1.00 0.00 C ATOM 46 C THR A 4 2.313 -9.435 8.626 1.00 0.00 C ATOM 47 O THR A 4 3.175 -10.280 8.300 1.00 0.00 O ATOM 48 CB THR A 4 0.372 -10.478 9.828 1.00 0.00 C ATOM 49 OG1 THR A 4 1.079 -11.711 10.010 1.00 0.00 O ATOM 50 CG2 THR A 4 -1.127 -10.754 9.768 1.00 0.00 C ATOM 0 H THR A 4 0.408 -11.531 7.578 1.00 0.00 H new ATOM 0 HA THR A 4 0.248 -8.857 8.461 1.00 0.00 H new ATOM 0 HB THR A 4 0.579 -9.821 10.672 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.295 -11.827 10.959 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.441 -11.257 10.683 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.667 -9.812 9.668 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.346 -11.390 8.910 1.00 0.00 H new ATOM 58 N LYS A 5 2.617 -8.237 9.003 1.00 0.00 N ATOM 59 CA LYS A 5 3.972 -7.810 9.025 1.00 0.00 C ATOM 60 C LYS A 5 4.622 -8.222 10.331 1.00 0.00 C ATOM 61 O LYS A 5 4.871 -7.403 11.213 1.00 0.00 O ATOM 62 CB LYS A 5 4.064 -6.306 8.797 1.00 0.00 C ATOM 63 CG LYS A 5 3.291 -5.807 7.569 1.00 0.00 C ATOM 64 CD LYS A 5 3.745 -6.488 6.285 1.00 0.00 C ATOM 65 CE LYS A 5 2.952 -6.003 5.070 1.00 0.00 C ATOM 66 NZ LYS A 5 1.498 -6.295 5.190 1.00 0.00 N ATOM 0 H LYS A 5 1.940 -7.535 9.301 1.00 0.00 H new ATOM 0 HA LYS A 5 4.514 -8.294 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.689 -5.792 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.113 -6.030 8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.226 -5.986 7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.423 -4.729 7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.806 -6.294 6.127 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.630 -7.567 6.386 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.096 -4.929 4.950 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.343 -6.479 4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.070 -6.320 4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.366 -7.216 5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.041 -5.553 5.757 1.00 0.00 H new ATOM 80 N SER A 6 4.805 -9.499 10.474 1.00 0.00 N ATOM 81 CA SER A 6 5.398 -10.075 11.625 1.00 0.00 C ATOM 82 C SER A 6 6.139 -11.323 11.167 1.00 0.00 C ATOM 83 O SER A 6 6.044 -11.695 9.994 1.00 0.00 O ATOM 84 CB SER A 6 4.286 -10.409 12.638 1.00 0.00 C ATOM 85 OG SER A 6 4.793 -10.926 13.863 1.00 0.00 O ATOM 0 H SER A 6 4.535 -10.183 9.767 1.00 0.00 H new ATOM 0 HA SER A 6 6.099 -9.399 12.114 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.704 -9.510 12.841 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.605 -11.136 12.196 1.00 0.00 H new ATOM 0 HG SER A 6 4.048 -11.119 14.470 1.00 0.00 H new ATOM 91 N ILE A 7 6.896 -11.920 12.043 1.00 0.00 N ATOM 92 CA ILE A 7 7.631 -13.137 11.766 1.00 0.00 C ATOM 93 C ILE A 7 7.310 -14.153 12.867 1.00 0.00 C ATOM 94 O ILE A 7 7.593 -13.891 14.046 1.00 0.00 O ATOM 95 CB ILE A 7 9.170 -12.877 11.709 1.00 0.00 C ATOM 96 CG1 ILE A 7 9.533 -11.918 10.549 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.955 -14.183 11.597 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.247 -12.458 9.156 1.00 0.00 C ATOM 0 H ILE A 7 7.027 -11.572 12.993 1.00 0.00 H new ATOM 0 HA ILE A 7 7.331 -13.521 10.791 1.00 0.00 H new ATOM 0 HB ILE A 7 9.453 -12.398 12.646 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.982 -10.987 10.682 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.593 -11.674 10.617 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.022 -13.964 11.560 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.743 -14.810 12.463 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.660 -14.708 10.688 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.534 -11.715 8.412 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.819 -13.372 8.996 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.183 -12.674 9.061 1.00 0.00 H new ATOM 110 N PRO A 8 6.712 -15.308 12.529 1.00 0.00 N ATOM 111 CA PRO A 8 6.360 -15.677 11.146 1.00 0.00 C ATOM 112 C PRO A 8 5.160 -14.880 10.607 1.00 0.00 C ATOM 113 O PRO A 8 4.248 -14.510 11.369 1.00 0.00 O ATOM 114 CB PRO A 8 6.007 -17.159 11.260 1.00 0.00 C ATOM 115 CG PRO A 8 5.526 -17.324 12.656 1.00 0.00 C ATOM 116 CD PRO A 8 6.321 -16.357 13.486 1.00 0.00 C ATOM 0 HA PRO A 8 7.172 -15.465 10.450 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.238 -17.440 10.540 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.874 -17.789 11.062 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.459 -17.114 12.728 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.674 -18.347 13.001 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.727 -15.950 14.304 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.193 -16.836 13.932 1.00 0.00 H new ATOM 124 N PRO A 9 5.163 -14.572 9.309 1.00 0.00 N ATOM 125 CA PRO A 9 4.101 -13.808 8.691 1.00 0.00 C ATOM 126 C PRO A 9 2.861 -14.653 8.433 1.00 0.00 C ATOM 127 O PRO A 9 2.947 -15.801 7.985 1.00 0.00 O ATOM 128 CB PRO A 9 4.712 -13.350 7.373 1.00 0.00 C ATOM 129 CG PRO A 9 5.715 -14.395 7.030 1.00 0.00 C ATOM 130 CD PRO A 9 6.217 -14.943 8.338 1.00 0.00 C ATOM 0 HA PRO A 9 3.765 -12.989 9.327 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.953 -13.261 6.596 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.181 -12.371 7.474 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.265 -15.182 6.425 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.533 -13.973 6.446 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.355 -16.023 8.292 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.180 -14.510 8.609 1.00 0.00 H new ATOM 138 N ILE A 10 1.736 -14.099 8.723 1.00 0.00 N ATOM 139 CA ILE A 10 0.483 -14.761 8.514 1.00 0.00 C ATOM 140 C ILE A 10 -0.050 -14.294 7.169 1.00 0.00 C ATOM 141 O ILE A 10 -0.391 -13.128 7.020 1.00 0.00 O ATOM 142 CB ILE A 10 -0.519 -14.381 9.638 1.00 0.00 C ATOM 143 CG1 ILE A 10 0.090 -14.644 11.039 1.00 0.00 C ATOM 144 CG2 ILE A 10 -1.842 -15.104 9.472 1.00 0.00 C ATOM 145 CD1 ILE A 10 0.481 -16.089 11.308 1.00 0.00 C ATOM 0 H ILE A 10 1.652 -13.162 9.117 1.00 0.00 H new ATOM 0 HA ILE A 10 0.612 -15.843 8.530 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.718 -13.313 9.553 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.973 -14.016 11.159 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.629 -14.331 11.796 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.518 -14.814 10.276 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.284 -14.838 8.512 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.675 -16.181 9.509 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.897 -16.173 12.312 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.400 -16.726 11.226 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.227 -16.406 10.579 1.00 0.00 H new ATOM 157 N CYS A 11 -0.064 -15.164 6.193 1.00 0.00 N ATOM 158 CA CYS A 11 -0.482 -14.767 4.864 1.00 0.00 C ATOM 159 C CYS A 11 -1.867 -15.271 4.504 1.00 0.00 C ATOM 160 O CYS A 11 -2.235 -16.423 4.793 1.00 0.00 O ATOM 161 CB CYS A 11 0.539 -15.172 3.793 1.00 0.00 C ATOM 162 SG CYS A 11 2.200 -14.435 3.999 1.00 0.00 S ATOM 0 H CYS A 11 0.205 -16.143 6.286 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.534 -13.678 4.887 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.636 -16.258 3.796 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.150 -14.889 2.815 1.00 0.00 H new ATOM 310 N CYS A 22 2.625 -8.680 -2.015 1.00 0.00 N ATOM 311 CA CYS A 22 3.902 -8.788 -1.435 1.00 0.00 C ATOM 312 C CYS A 22 3.900 -8.157 -0.075 1.00 0.00 C ATOM 313 O CYS A 22 3.106 -7.254 0.214 1.00 0.00 O ATOM 314 CB CYS A 22 4.938 -8.155 -2.329 1.00 0.00 C ATOM 315 SG CYS A 22 5.389 -9.153 -3.777 1.00 0.00 S ATOM 0 HA CYS A 22 4.157 -9.842 -1.322 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.565 -7.189 -2.670 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.836 -7.960 -1.743 1.00 0.00 H new ATOM 320 N GLN A 23 4.718 -8.656 0.768 1.00 0.00 N ATOM 321 CA GLN A 23 4.846 -8.147 2.082 1.00 0.00 C ATOM 322 C GLN A 23 6.150 -7.396 2.222 1.00 0.00 C ATOM 323 O GLN A 23 7.221 -7.971 2.353 1.00 0.00 O ATOM 324 CB GLN A 23 4.694 -9.252 3.085 1.00 0.00 C ATOM 325 CG GLN A 23 5.601 -10.440 2.822 1.00 0.00 C ATOM 326 CD GLN A 23 5.522 -11.503 3.885 1.00 0.00 C ATOM 327 OE1 GLN A 23 5.368 -11.103 5.112 1.00 0.00 O flip ATOM 328 NE2 GLN A 23 5.665 -12.678 3.604 1.00 0.00 N flip ATOM 0 H GLN A 23 5.331 -9.445 0.564 1.00 0.00 H new ATOM 0 HA GLN A 23 4.047 -7.433 2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.903 -8.859 4.080 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.658 -9.590 3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.340 -10.880 1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.631 -10.091 2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.784 -12.959 2.631 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.666 -13.382 4.342 1.00 0.00 H new ATOM 337 N ILE A 24 6.059 -6.132 2.121 1.00 0.00 N ATOM 338 CA ILE A 24 7.217 -5.295 2.177 1.00 0.00 C ATOM 339 C ILE A 24 7.224 -4.622 3.533 1.00 0.00 C ATOM 340 O ILE A 24 6.157 -4.230 4.032 1.00 0.00 O ATOM 341 CB ILE A 24 7.221 -4.204 1.035 1.00 0.00 C ATOM 342 CG1 ILE A 24 6.964 -4.793 -0.367 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.524 -3.445 1.001 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.530 -5.116 -0.676 1.00 0.00 C ATOM 0 H ILE A 24 5.180 -5.630 1.996 1.00 0.00 H new ATOM 0 HA ILE A 24 8.108 -5.905 2.029 1.00 0.00 H new ATOM 0 HB ILE A 24 6.400 -3.531 1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.328 -4.086 -1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.555 -5.702 -0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.492 -2.703 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.679 -2.944 1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.345 -4.139 0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.458 -5.524 -1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.160 -5.850 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.930 -4.209 -0.608 1.00 0.00 H new ATOM 356 N ARG A 25 8.381 -4.519 4.148 1.00 0.00 N ATOM 357 CA ARG A 25 8.485 -3.889 5.430 1.00 0.00 C ATOM 358 C ARG A 25 8.221 -2.396 5.319 1.00 0.00 C ATOM 359 O ARG A 25 8.953 -1.671 4.660 1.00 0.00 O ATOM 360 CB ARG A 25 9.827 -4.208 6.115 1.00 0.00 C ATOM 361 CG ARG A 25 11.079 -3.793 5.362 1.00 0.00 C ATOM 362 CD ARG A 25 12.320 -4.286 6.076 1.00 0.00 C ATOM 363 NE ARG A 25 13.549 -3.978 5.334 1.00 0.00 N ATOM 364 CZ ARG A 25 14.698 -3.519 5.867 1.00 0.00 C ATOM 365 NH1 ARG A 25 14.758 -3.176 7.154 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.776 -3.382 5.098 1.00 0.00 N ATOM 0 H ARG A 25 9.263 -4.868 3.773 1.00 0.00 H new ATOM 0 HA ARG A 25 7.712 -4.303 6.077 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.837 -3.723 7.091 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.874 -5.282 6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.051 -4.196 4.350 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.112 -2.707 5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.372 -3.832 7.065 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.248 -5.364 6.224 1.00 0.00 H new ATOM 0 HE ARG A 25 13.531 -4.125 4.325 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.930 -3.260 7.743 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.632 -2.829 7.549 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.731 -3.624 4.108 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.647 -3.035 5.499 1.00 0.00 H new ATOM 380 N ILE A 26 7.178 -1.937 5.976 1.00 0.00 N ATOM 381 CA ILE A 26 6.754 -0.534 5.894 1.00 0.00 C ATOM 382 C ILE A 26 7.782 0.439 6.455 1.00 0.00 C ATOM 383 O ILE A 26 7.726 1.639 6.197 1.00 0.00 O ATOM 384 CB ILE A 26 5.327 -0.289 6.498 1.00 0.00 C ATOM 385 CG1 ILE A 26 5.159 -0.792 7.960 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.280 -0.924 5.615 1.00 0.00 C ATOM 387 CD1 ILE A 26 5.857 0.025 9.032 1.00 0.00 C ATOM 0 H ILE A 26 6.595 -2.513 6.583 1.00 0.00 H new ATOM 0 HA ILE A 26 6.682 -0.322 4.827 1.00 0.00 H new ATOM 0 HB ILE A 26 5.197 0.793 6.534 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.094 -0.824 8.192 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.528 -1.816 8.015 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.291 -0.750 6.040 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.329 -0.484 4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.463 -1.996 5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.669 -0.420 10.009 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.930 0.037 8.839 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.474 1.045 9.019 1.00 0.00 H new ATOM 399 N GLN A 27 8.747 -0.096 7.168 1.00 0.00 N ATOM 400 CA GLN A 27 9.775 0.697 7.784 1.00 0.00 C ATOM 401 C GLN A 27 10.793 1.120 6.746 1.00 0.00 C ATOM 402 O GLN A 27 11.511 2.096 6.931 1.00 0.00 O ATOM 403 CB GLN A 27 10.459 -0.090 8.892 1.00 0.00 C ATOM 404 CG GLN A 27 11.243 -1.299 8.394 1.00 0.00 C ATOM 405 CD GLN A 27 11.916 -2.091 9.490 1.00 0.00 C ATOM 406 OE1 GLN A 27 12.957 -2.704 9.263 1.00 0.00 O ATOM 407 NE2 GLN A 27 11.343 -2.104 10.663 1.00 0.00 N ATOM 0 H GLN A 27 8.837 -1.098 7.335 1.00 0.00 H new ATOM 0 HA GLN A 27 9.317 1.586 8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.135 0.573 9.431 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.706 -0.426 9.605 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.567 -1.957 7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.001 -0.961 7.687 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.479 -1.583 10.814 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.759 -2.635 11.428 1.00 0.00 H new ATOM 416 N GLN A 28 10.833 0.406 5.626 1.00 0.00 N ATOM 417 CA GLN A 28 11.795 0.724 4.609 1.00 0.00 C ATOM 418 C GLN A 28 11.226 1.794 3.694 1.00 0.00 C ATOM 419 O GLN A 28 11.944 2.421 2.932 1.00 0.00 O ATOM 420 CB GLN A 28 12.205 -0.502 3.806 1.00 0.00 C ATOM 421 CG GLN A 28 11.184 -0.978 2.811 1.00 0.00 C ATOM 422 CD GLN A 28 11.741 -2.014 1.913 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.686 -3.197 2.196 1.00 0.00 O ATOM 424 NE2 GLN A 28 12.289 -1.579 0.822 1.00 0.00 N ATOM 0 H GLN A 28 10.218 -0.380 5.413 1.00 0.00 H new ATOM 0 HA GLN A 28 12.694 1.098 5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.131 -0.278 3.276 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.423 -1.315 4.498 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.320 -1.380 3.340 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.831 -0.134 2.219 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.312 -0.578 0.627 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.697 -2.238 0.159 1.00 0.00 H new ATOM 433 N LEU A 29 9.916 1.983 3.773 1.00 0.00 N ATOM 434 CA LEU A 29 9.247 3.018 2.996 1.00 0.00 C ATOM 435 C LEU A 29 9.023 4.215 3.842 1.00 0.00 C ATOM 436 O LEU A 29 8.454 5.208 3.389 1.00 0.00 O ATOM 437 CB LEU A 29 7.899 2.584 2.425 1.00 0.00 C ATOM 438 CG LEU A 29 7.886 1.494 1.373 1.00 0.00 C ATOM 439 CD1 LEU A 29 8.990 1.718 0.353 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.931 0.122 1.999 1.00 0.00 C ATOM 0 H LEU A 29 9.295 1.433 4.367 1.00 0.00 H new ATOM 0 HA LEU A 29 9.908 3.234 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.276 2.252 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.419 3.465 1.998 1.00 0.00 H new ATOM 0 HG LEU A 29 6.941 1.546 0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.963 0.924 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.843 2.681 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.957 1.710 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.920 -0.636 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.842 0.021 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.063 -0.012 2.645 1.00 0.00 H new ATOM 452 N ASN A 30 9.488 4.128 5.073 1.00 0.00 N ATOM 453 CA ASN A 30 9.328 5.181 6.046 1.00 0.00 C ATOM 454 C ASN A 30 9.892 6.503 5.549 1.00 0.00 C ATOM 455 O ASN A 30 9.307 7.547 5.811 1.00 0.00 O ATOM 456 CB ASN A 30 9.951 4.787 7.393 1.00 0.00 C ATOM 457 CG ASN A 30 9.811 5.861 8.461 1.00 0.00 C ATOM 458 OD1 ASN A 30 10.674 6.711 8.611 1.00 0.00 O ATOM 459 ND2 ASN A 30 8.741 5.818 9.207 1.00 0.00 N ATOM 0 H ASN A 30 9.992 3.314 5.425 1.00 0.00 H new ATOM 0 HA ASN A 30 8.258 5.322 6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.481 3.869 7.747 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.008 4.568 7.245 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.605 6.510 9.944 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.041 5.093 9.053 1.00 0.00 H new ATOM 466 N HIS A 31 10.964 6.453 4.747 1.00 0.00 N ATOM 467 CA HIS A 31 11.593 7.685 4.275 1.00 0.00 C ATOM 468 C HIS A 31 10.674 8.326 3.247 1.00 0.00 C ATOM 469 O HIS A 31 10.302 9.486 3.394 1.00 0.00 O ATOM 470 CB HIS A 31 12.969 7.424 3.647 1.00 0.00 C ATOM 471 CG HIS A 31 13.877 8.633 3.589 1.00 0.00 C ATOM 472 ND1 HIS A 31 15.216 8.588 3.897 1.00 0.00 N ATOM 473 CD2 HIS A 31 13.623 9.921 3.228 1.00 0.00 C ATOM 474 CE1 HIS A 31 15.724 9.805 3.726 1.00 0.00 C ATOM 475 NE2 HIS A 31 14.797 10.664 3.319 1.00 0.00 N ATOM 0 H HIS A 31 11.403 5.592 4.420 1.00 0.00 H new ATOM 0 HA HIS A 31 11.748 8.346 5.127 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.469 6.638 4.213 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.826 7.045 2.635 1.00 0.00 H new ATOM 0 HD1 HIS A 31 15.731 7.763 4.204 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.662 10.306 2.920 1.00 0.00 H new ATOM 0 HE1 HIS A 31 16.759 10.062 3.897 1.00 0.00 H new ATOM 483 N CYS A 32 10.281 7.543 2.235 1.00 0.00 N ATOM 484 CA CYS A 32 9.361 7.995 1.195 1.00 0.00 C ATOM 485 C CYS A 32 8.088 8.522 1.827 1.00 0.00 C ATOM 486 O CYS A 32 7.710 9.668 1.607 1.00 0.00 O ATOM 487 CB CYS A 32 9.047 6.853 0.203 1.00 0.00 C ATOM 488 SG CYS A 32 9.876 6.987 -1.410 1.00 0.00 S ATOM 0 H CYS A 32 10.594 6.579 2.118 1.00 0.00 H new ATOM 0 HA CYS A 32 9.836 8.801 0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.329 5.905 0.662 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.970 6.820 0.039 1.00 0.00 H new ATOM 493 N GLN A 33 7.480 7.697 2.665 1.00 0.00 N ATOM 494 CA GLN A 33 6.305 8.036 3.405 1.00 0.00 C ATOM 495 C GLN A 33 6.434 9.387 4.137 1.00 0.00 C ATOM 496 O GLN A 33 5.650 10.302 3.886 1.00 0.00 O ATOM 497 CB GLN A 33 6.022 6.941 4.411 1.00 0.00 C ATOM 498 CG GLN A 33 4.972 7.339 5.407 1.00 0.00 C ATOM 499 CD GLN A 33 4.800 6.391 6.570 1.00 0.00 C ATOM 500 OE1 GLN A 33 5.861 5.767 6.985 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 3.717 6.258 7.115 1.00 0.00 N flip ATOM 0 H GLN A 33 7.811 6.749 2.844 1.00 0.00 H new ATOM 0 HA GLN A 33 5.484 8.132 2.695 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.699 6.043 3.885 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.942 6.688 4.938 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.219 8.327 5.797 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.018 7.430 4.889 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.904 6.763 6.763 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.625 5.642 7.923 1.00 0.00 H new ATOM 510 N MET A 34 7.437 9.518 5.017 1.00 0.00 N ATOM 511 CA MET A 34 7.548 10.733 5.821 1.00 0.00 C ATOM 512 C MET A 34 7.847 11.932 4.975 1.00 0.00 C ATOM 513 O MET A 34 7.214 12.955 5.133 1.00 0.00 O ATOM 514 CB MET A 34 8.569 10.656 6.978 1.00 0.00 C ATOM 515 CG MET A 34 10.026 10.435 6.579 1.00 0.00 C ATOM 516 SD MET A 34 11.191 10.837 7.902 1.00 0.00 S ATOM 517 CE MET A 34 10.578 9.819 9.246 1.00 0.00 C ATOM 0 H MET A 34 8.160 8.819 5.184 1.00 0.00 H new ATOM 0 HA MET A 34 6.565 10.834 6.280 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.507 11.581 7.551 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.270 9.847 7.645 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.163 9.394 6.286 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.254 11.045 5.705 1.00 0.00 H new ATOM 0 HE1 MET A 34 10.058 10.446 9.970 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.889 9.072 8.852 1.00 0.00 H new ATOM 0 HE3 MET A 34 11.414 9.319 9.734 1.00 0.00 H new ATOM 527 N HIS A 35 8.748 11.768 4.035 1.00 0.00 N ATOM 528 CA HIS A 35 9.231 12.862 3.214 1.00 0.00 C ATOM 529 C HIS A 35 8.128 13.378 2.294 1.00 0.00 C ATOM 530 O HIS A 35 8.080 14.565 1.987 1.00 0.00 O ATOM 531 CB HIS A 35 10.427 12.408 2.386 1.00 0.00 C ATOM 532 CG HIS A 35 11.416 13.489 2.069 1.00 0.00 C ATOM 533 ND1 HIS A 35 11.090 14.742 1.582 1.00 0.00 N ATOM 534 CD2 HIS A 35 12.763 13.478 2.198 1.00 0.00 C ATOM 535 CE1 HIS A 35 12.228 15.433 1.433 1.00 0.00 C ATOM 536 NE2 HIS A 35 13.273 14.706 1.794 1.00 0.00 N ATOM 0 H HIS A 35 9.172 10.867 3.814 1.00 0.00 H new ATOM 0 HA HIS A 35 9.539 13.674 3.873 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.941 11.610 2.922 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.064 11.981 1.451 1.00 0.00 H new ATOM 0 HD1 HIS A 35 10.150 15.080 1.373 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.349 12.646 2.558 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.285 16.448 1.067 1.00 0.00 H new ATOM 544 N LEU A 36 7.251 12.491 1.858 1.00 0.00 N ATOM 545 CA LEU A 36 6.140 12.891 1.012 1.00 0.00 C ATOM 546 C LEU A 36 5.033 13.526 1.827 1.00 0.00 C ATOM 547 O LEU A 36 4.257 14.310 1.326 1.00 0.00 O ATOM 548 CB LEU A 36 5.613 11.726 0.181 1.00 0.00 C ATOM 549 CG LEU A 36 6.615 11.124 -0.809 1.00 0.00 C ATOM 550 CD1 LEU A 36 6.007 9.967 -1.555 1.00 0.00 C ATOM 551 CD2 LEU A 36 7.150 12.169 -1.778 1.00 0.00 C ATOM 0 H LEU A 36 7.286 11.495 2.074 1.00 0.00 H new ATOM 0 HA LEU A 36 6.517 13.640 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.279 10.940 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.737 12.063 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 36 7.459 10.753 -0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.739 9.558 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.708 9.194 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.133 10.310 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.857 11.702 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.323 12.596 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.653 12.959 -1.220 1.00 0.00 H new ATOM 563 N THR A 37 4.946 13.187 3.081 1.00 0.00 N ATOM 564 CA THR A 37 3.973 13.855 3.917 1.00 0.00 C ATOM 565 C THR A 37 4.595 15.080 4.601 1.00 0.00 C ATOM 566 O THR A 37 3.932 15.809 5.350 1.00 0.00 O ATOM 567 CB THR A 37 3.402 12.891 4.958 1.00 0.00 C ATOM 568 OG1 THR A 37 4.467 12.378 5.787 1.00 0.00 O ATOM 569 CG2 THR A 37 2.723 11.731 4.261 1.00 0.00 C ATOM 0 H THR A 37 5.514 12.476 3.542 1.00 0.00 H new ATOM 0 HA THR A 37 3.156 14.196 3.281 1.00 0.00 H new ATOM 0 HB THR A 37 2.680 13.426 5.575 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.327 12.717 5.462 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.317 11.046 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.914 12.106 3.634 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.448 11.204 3.641 1.00 0.00 H new ATOM 577 N SER A 38 5.856 15.294 4.321 1.00 0.00 N ATOM 578 CA SER A 38 6.627 16.322 4.935 1.00 0.00 C ATOM 579 C SER A 38 6.520 17.626 4.183 1.00 0.00 C ATOM 580 O SER A 38 6.804 17.704 2.980 1.00 0.00 O ATOM 581 CB SER A 38 8.102 15.895 5.034 1.00 0.00 C ATOM 582 OG SER A 38 8.895 16.845 5.739 1.00 0.00 O ATOM 0 H SER A 38 6.379 14.740 3.642 1.00 0.00 H new ATOM 0 HA SER A 38 6.226 16.479 5.936 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.165 14.929 5.535 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.507 15.760 4.031 1.00 0.00 H new ATOM 0 HG SER A 38 9.823 16.532 5.779 1.00 0.00 H new ATOM 588 N PHE A 39 6.073 18.612 4.886 1.00 0.00 N ATOM 589 CA PHE A 39 6.101 19.963 4.454 1.00 0.00 C ATOM 590 C PHE A 39 6.742 20.707 5.566 1.00 0.00 C ATOM 591 O PHE A 39 6.103 20.996 6.584 1.00 0.00 O ATOM 592 CB PHE A 39 4.710 20.538 4.165 1.00 0.00 C ATOM 593 CG PHE A 39 4.018 19.919 2.997 1.00 0.00 C ATOM 594 CD1 PHE A 39 2.942 19.084 3.184 1.00 0.00 C ATOM 595 CD2 PHE A 39 4.450 20.179 1.705 1.00 0.00 C ATOM 596 CE1 PHE A 39 2.304 18.516 2.112 1.00 0.00 C ATOM 597 CE2 PHE A 39 3.814 19.610 0.623 1.00 0.00 C ATOM 598 CZ PHE A 39 2.739 18.777 0.827 1.00 0.00 C ATOM 0 H PHE A 39 5.663 18.491 5.812 1.00 0.00 H new ATOM 0 HA PHE A 39 6.641 20.045 3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.087 20.411 5.050 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.802 21.610 3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.596 18.874 4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.294 20.834 1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.459 17.863 2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.158 19.817 -0.380 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.236 18.327 -0.016 1.00 0.00 H new ATOM 865 N HIS A 55 15.631 11.745 -2.266 1.00 0.00 N ATOM 866 CA HIS A 55 14.826 10.744 -1.612 1.00 0.00 C ATOM 867 C HIS A 55 14.465 9.608 -2.551 1.00 0.00 C ATOM 868 O HIS A 55 14.237 8.496 -2.114 1.00 0.00 O ATOM 869 CB HIS A 55 13.587 11.347 -0.885 1.00 0.00 C ATOM 870 CG HIS A 55 12.697 12.253 -1.710 1.00 0.00 C ATOM 871 ND1 HIS A 55 11.917 13.249 -1.173 1.00 0.00 N ATOM 872 CD2 HIS A 55 12.458 12.278 -3.037 1.00 0.00 C ATOM 873 CE1 HIS A 55 11.238 13.824 -2.159 1.00 0.00 C ATOM 874 NE2 HIS A 55 11.526 13.271 -3.318 1.00 0.00 N ATOM 0 HA HIS A 55 15.443 10.311 -0.824 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.980 10.525 -0.506 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.939 11.909 -0.020 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.918 11.629 -3.767 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.541 14.638 -2.027 1.00 0.00 H new ATOM 0 HE2 HIS A 55 11.145 13.519 -4.231 1.00 0.00 H new ATOM 882 N LEU A 56 14.500 9.875 -3.848 1.00 0.00 N ATOM 883 CA LEU A 56 14.221 8.857 -4.834 1.00 0.00 C ATOM 884 C LEU A 56 15.405 7.938 -4.903 1.00 0.00 C ATOM 885 O LEU A 56 15.245 6.737 -4.882 1.00 0.00 O ATOM 886 CB LEU A 56 13.872 9.485 -6.219 1.00 0.00 C ATOM 887 CG LEU A 56 13.545 8.535 -7.422 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.784 7.890 -8.037 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.541 7.468 -7.022 1.00 0.00 C ATOM 0 H LEU A 56 14.720 10.792 -4.237 1.00 0.00 H new ATOM 0 HA LEU A 56 13.341 8.283 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.014 10.142 -6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.710 10.115 -6.516 1.00 0.00 H new ATOM 0 HG LEU A 56 13.105 9.170 -8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.486 7.245 -8.864 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.454 8.667 -8.406 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.298 7.296 -7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.334 6.824 -7.877 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.951 6.870 -6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.617 7.943 -6.693 1.00 0.00 H new ATOM 901 N SER A 57 16.589 8.509 -4.911 1.00 0.00 N ATOM 902 CA SER A 57 17.817 7.747 -4.966 1.00 0.00 C ATOM 903 C SER A 57 17.950 6.834 -3.731 1.00 0.00 C ATOM 904 O SER A 57 18.569 5.776 -3.787 1.00 0.00 O ATOM 905 CB SER A 57 18.978 8.720 -5.071 1.00 0.00 C ATOM 906 OG SER A 57 18.719 9.648 -6.123 1.00 0.00 O ATOM 0 H SER A 57 16.728 9.519 -4.879 1.00 0.00 H new ATOM 0 HA SER A 57 17.815 7.095 -5.839 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.111 9.249 -4.127 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.904 8.180 -5.266 1.00 0.00 H new ATOM 0 HG SER A 57 19.465 10.279 -6.193 1.00 0.00 H new ATOM 912 N LEU A 58 17.329 7.239 -2.649 1.00 0.00 N ATOM 913 CA LEU A 58 17.326 6.461 -1.426 1.00 0.00 C ATOM 914 C LEU A 58 16.217 5.407 -1.467 1.00 0.00 C ATOM 915 O LEU A 58 16.473 4.210 -1.311 1.00 0.00 O ATOM 916 CB LEU A 58 17.120 7.403 -0.237 1.00 0.00 C ATOM 917 CG LEU A 58 18.107 8.565 -0.173 1.00 0.00 C ATOM 918 CD1 LEU A 58 17.766 9.501 0.965 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.531 8.054 -0.029 1.00 0.00 C ATOM 0 H LEU A 58 16.811 8.116 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 58 18.280 5.945 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.108 7.805 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.196 6.826 0.685 1.00 0.00 H new ATOM 0 HG LEU A 58 18.032 9.121 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.484 10.321 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.763 9.901 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 58 17.805 8.956 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.218 8.899 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.617 7.469 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.781 7.427 -0.885 1.00 0.00 H new ATOM 931 N CYS A 59 15.012 5.863 -1.733 1.00 0.00 N ATOM 932 CA CYS A 59 13.807 5.041 -1.729 1.00 0.00 C ATOM 933 C CYS A 59 13.853 3.979 -2.849 1.00 0.00 C ATOM 934 O CYS A 59 13.633 2.797 -2.591 1.00 0.00 O ATOM 935 CB CYS A 59 12.606 5.971 -1.882 1.00 0.00 C ATOM 936 SG CYS A 59 10.966 5.281 -1.597 1.00 0.00 S ATOM 0 H CYS A 59 14.832 6.840 -1.965 1.00 0.00 H new ATOM 0 HA CYS A 59 13.729 4.492 -0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.741 6.808 -1.196 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.626 6.380 -2.892 1.00 0.00 H new ATOM 941 N CYS A 60 14.198 4.398 -4.082 1.00 0.00 N ATOM 942 CA CYS A 60 14.332 3.485 -5.231 1.00 0.00 C ATOM 943 C CYS A 60 15.390 2.419 -4.948 1.00 0.00 C ATOM 944 O CYS A 60 15.236 1.253 -5.320 1.00 0.00 O ATOM 945 CB CYS A 60 14.661 4.292 -6.517 1.00 0.00 C ATOM 946 SG CYS A 60 14.989 3.343 -8.057 1.00 0.00 S ATOM 0 H CYS A 60 14.390 5.374 -4.308 1.00 0.00 H new ATOM 0 HA CYS A 60 13.384 2.970 -5.391 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.829 4.969 -6.711 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.535 4.911 -6.311 1.00 0.00 H new ATOM 951 N ASN A 61 16.413 2.795 -4.200 1.00 0.00 N ATOM 952 CA ASN A 61 17.499 1.868 -3.897 1.00 0.00 C ATOM 953 C ASN A 61 17.110 0.956 -2.749 1.00 0.00 C ATOM 954 O ASN A 61 17.647 -0.129 -2.580 1.00 0.00 O ATOM 955 CB ASN A 61 18.776 2.615 -3.565 1.00 0.00 C ATOM 956 CG ASN A 61 20.012 1.725 -3.569 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.668 1.567 -4.604 1.00 0.00 O ATOM 958 ND2 ASN A 61 20.359 1.170 -2.440 1.00 0.00 N ATOM 0 H ASN A 61 16.518 3.725 -3.793 1.00 0.00 H new ATOM 0 HA ASN A 61 17.682 1.260 -4.783 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.915 3.421 -4.285 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.673 3.078 -2.584 1.00 0.00 H new ATOM 0 HD21 ASN A 61 21.194 0.586 -2.394 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.795 1.321 -1.603 1.00 0.00 H new ATOM 965 N GLN A 62 16.188 1.400 -1.948 1.00 0.00 N ATOM 966 CA GLN A 62 15.737 0.599 -0.851 1.00 0.00 C ATOM 967 C GLN A 62 14.680 -0.397 -1.321 1.00 0.00 C ATOM 968 O GLN A 62 14.675 -1.553 -0.913 1.00 0.00 O ATOM 969 CB GLN A 62 15.207 1.470 0.294 1.00 0.00 C ATOM 970 CG GLN A 62 14.821 0.669 1.524 1.00 0.00 C ATOM 971 CD GLN A 62 15.991 -0.112 2.086 1.00 0.00 C ATOM 972 OE1 GLN A 62 17.139 0.314 1.993 1.00 0.00 O ATOM 973 NE2 GLN A 62 15.729 -1.264 2.612 1.00 0.00 N ATOM 0 H GLN A 62 15.735 2.310 -2.033 1.00 0.00 H new ATOM 0 HA GLN A 62 16.589 0.039 -0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.968 2.201 0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.339 2.029 -0.055 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.435 1.343 2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.015 -0.019 1.270 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.764 -1.589 2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.487 -1.848 2.965 1.00 0.00 H new ATOM 982 N LEU A 63 13.806 0.045 -2.191 1.00 0.00 N ATOM 983 CA LEU A 63 12.737 -0.801 -2.694 1.00 0.00 C ATOM 984 C LEU A 63 13.306 -1.927 -3.558 1.00 0.00 C ATOM 985 O LEU A 63 12.786 -3.024 -3.585 1.00 0.00 O ATOM 986 CB LEU A 63 11.698 0.054 -3.458 1.00 0.00 C ATOM 987 CG LEU A 63 12.130 0.663 -4.797 1.00 0.00 C ATOM 988 CD1 LEU A 63 12.033 -0.325 -5.931 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.335 1.886 -5.110 1.00 0.00 C ATOM 0 H LEU A 63 13.809 0.991 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 63 12.223 -1.270 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.820 -0.566 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.385 0.868 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 63 13.179 0.941 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.349 0.153 -6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.677 -1.180 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.002 -0.664 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.662 2.298 -6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.278 1.627 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.484 2.628 -4.325 1.00 0.00 H new ATOM 1001 N GLN A 64 14.399 -1.637 -4.247 1.00 0.00 N ATOM 1002 CA GLN A 64 15.043 -2.604 -5.129 1.00 0.00 C ATOM 1003 C GLN A 64 15.749 -3.719 -4.332 1.00 0.00 C ATOM 1004 O GLN A 64 16.267 -4.681 -4.912 1.00 0.00 O ATOM 1005 CB GLN A 64 16.034 -1.902 -6.045 1.00 0.00 C ATOM 1006 CG GLN A 64 17.241 -1.379 -5.322 1.00 0.00 C ATOM 1007 CD GLN A 64 18.335 -0.905 -6.247 1.00 0.00 C ATOM 1008 OE1 GLN A 64 18.363 0.244 -6.664 1.00 0.00 O ATOM 1009 NE2 GLN A 64 19.251 -1.772 -6.558 1.00 0.00 N ATOM 0 H GLN A 64 14.864 -0.730 -4.213 1.00 0.00 H new ATOM 0 HA GLN A 64 14.266 -3.071 -5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.356 -2.596 -6.821 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.532 -1.074 -6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.939 -0.555 -4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.636 -2.163 -4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 64 19.198 -2.723 -6.193 1.00 0.00 H new ATOM 0 HE22 GLN A 64 20.023 -1.502 -7.167 1.00 0.00 H new ATOM 1018 N GLU A 65 15.800 -3.563 -3.016 1.00 0.00 N ATOM 1019 CA GLU A 65 16.353 -4.581 -2.140 1.00 0.00 C ATOM 1020 C GLU A 65 15.319 -5.693 -1.947 1.00 0.00 C ATOM 1021 O GLU A 65 15.650 -6.842 -1.613 1.00 0.00 O ATOM 1022 CB GLU A 65 16.724 -3.977 -0.783 1.00 0.00 C ATOM 1023 CG GLU A 65 17.898 -3.015 -0.813 1.00 0.00 C ATOM 1024 CD GLU A 65 19.200 -3.711 -1.113 1.00 0.00 C ATOM 1025 OE1 GLU A 65 19.801 -4.283 -0.178 1.00 0.00 O ATOM 1026 OE2 GLU A 65 19.658 -3.687 -2.268 1.00 0.00 O ATOM 0 H GLU A 65 15.461 -2.732 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 65 17.256 -4.990 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.855 -3.455 -0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.954 -4.787 -0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.717 -2.248 -1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.973 -2.507 0.148 1.00 0.00 H new ATOM 1033 N VAL A 66 14.081 -5.337 -2.173 1.00 0.00 N ATOM 1034 CA VAL A 66 12.943 -6.240 -2.051 1.00 0.00 C ATOM 1035 C VAL A 66 12.848 -7.052 -3.353 1.00 0.00 C ATOM 1036 O VAL A 66 13.513 -6.703 -4.337 1.00 0.00 O ATOM 1037 CB VAL A 66 11.621 -5.419 -1.861 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.461 -6.277 -1.410 1.00 0.00 C ATOM 1039 CG2 VAL A 66 11.822 -4.275 -0.904 1.00 0.00 C ATOM 0 H VAL A 66 13.820 -4.392 -2.454 1.00 0.00 H new ATOM 0 HA VAL A 66 13.075 -6.895 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 66 11.368 -5.019 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.573 -5.656 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.269 -7.050 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.704 -6.744 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.888 -3.725 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.132 -4.663 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.592 -3.608 -1.291 1.00 0.00 H new ATOM 1049 N GLU A 67 12.095 -8.155 -3.339 1.00 0.00 N ATOM 1050 CA GLU A 67 11.835 -8.964 -4.539 1.00 0.00 C ATOM 1051 C GLU A 67 11.348 -8.086 -5.680 1.00 0.00 C ATOM 1052 O GLU A 67 10.590 -7.151 -5.448 1.00 0.00 O ATOM 1053 CB GLU A 67 10.788 -10.007 -4.212 1.00 0.00 C ATOM 1054 CG GLU A 67 11.307 -11.138 -3.372 1.00 0.00 C ATOM 1055 CD GLU A 67 10.198 -11.975 -2.777 1.00 0.00 C ATOM 1056 OE1 GLU A 67 9.612 -12.805 -3.494 1.00 0.00 O ATOM 1057 OE2 GLU A 67 9.889 -11.819 -1.573 1.00 0.00 O ATOM 0 H GLU A 67 11.647 -8.515 -2.496 1.00 0.00 H new ATOM 0 HA GLU A 67 12.760 -9.450 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.961 -9.527 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.387 -10.411 -5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.950 -11.773 -3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.925 -10.736 -2.569 1.00 0.00 H new ATOM 1064 N LYS A 68 11.740 -8.404 -6.906 1.00 0.00 N ATOM 1065 CA LYS A 68 11.419 -7.554 -8.051 1.00 0.00 C ATOM 1066 C LYS A 68 9.930 -7.422 -8.296 1.00 0.00 C ATOM 1067 O LYS A 68 9.454 -6.370 -8.716 1.00 0.00 O ATOM 1068 CB LYS A 68 12.157 -7.957 -9.326 1.00 0.00 C ATOM 1069 CG LYS A 68 11.886 -9.353 -9.847 1.00 0.00 C ATOM 1070 CD LYS A 68 12.587 -9.579 -11.181 1.00 0.00 C ATOM 1071 CE LYS A 68 11.994 -8.711 -12.300 1.00 0.00 C ATOM 1072 NZ LYS A 68 12.700 -8.899 -13.583 1.00 0.00 N ATOM 0 H LYS A 68 12.278 -9.239 -7.136 1.00 0.00 H new ATOM 0 HA LYS A 68 11.784 -6.565 -7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.900 -7.244 -10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.228 -7.861 -9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.230 -10.090 -9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.812 -9.499 -9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.649 -9.356 -11.074 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.508 -10.630 -11.458 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.940 -8.956 -12.428 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.045 -7.662 -12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.267 -8.294 -14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.701 -8.641 -13.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.630 -9.895 -13.875 1.00 0.00 H new ATOM 1086 N GLN A 69 9.186 -8.458 -7.965 1.00 0.00 N ATOM 1087 CA GLN A 69 7.737 -8.424 -8.129 1.00 0.00 C ATOM 1088 C GLN A 69 7.098 -7.645 -6.973 1.00 0.00 C ATOM 1089 O GLN A 69 5.931 -7.310 -7.001 1.00 0.00 O ATOM 1090 CB GLN A 69 7.152 -9.844 -8.195 1.00 0.00 C ATOM 1091 CG GLN A 69 7.332 -10.665 -6.920 1.00 0.00 C ATOM 1092 CD GLN A 69 6.645 -12.012 -7.000 1.00 0.00 C ATOM 1093 OE1 GLN A 69 5.470 -12.150 -6.653 1.00 0.00 O ATOM 1094 NE2 GLN A 69 7.356 -13.014 -7.432 1.00 0.00 N ATOM 0 H GLN A 69 9.552 -9.330 -7.583 1.00 0.00 H new ATOM 0 HA GLN A 69 7.513 -7.922 -9.070 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.088 -9.774 -8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.618 -10.377 -9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.396 -10.813 -6.733 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.934 -10.107 -6.072 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.326 -12.868 -7.712 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.943 -13.945 -7.490 1.00 0.00 H new ATOM 1103 N CYS A 70 7.892 -7.355 -5.977 1.00 0.00 N ATOM 1104 CA CYS A 70 7.432 -6.702 -4.784 1.00 0.00 C ATOM 1105 C CYS A 70 7.935 -5.266 -4.721 1.00 0.00 C ATOM 1106 O CYS A 70 7.485 -4.478 -3.891 1.00 0.00 O ATOM 1107 CB CYS A 70 7.908 -7.491 -3.579 1.00 0.00 C ATOM 1108 SG CYS A 70 7.404 -9.249 -3.612 1.00 0.00 S ATOM 0 H CYS A 70 8.889 -7.569 -5.973 1.00 0.00 H new ATOM 0 HA CYS A 70 6.343 -6.666 -4.789 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.995 -7.434 -3.524 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.518 -7.026 -2.673 1.00 0.00 H new ATOM 1113 N GLN A 71 8.860 -4.930 -5.621 1.00 0.00 N ATOM 1114 CA GLN A 71 9.428 -3.582 -5.717 1.00 0.00 C ATOM 1115 C GLN A 71 8.343 -2.564 -5.985 1.00 0.00 C ATOM 1116 O GLN A 71 8.336 -1.488 -5.408 1.00 0.00 O ATOM 1117 CB GLN A 71 10.502 -3.530 -6.810 1.00 0.00 C ATOM 1118 CG GLN A 71 11.776 -4.291 -6.459 1.00 0.00 C ATOM 1119 CD GLN A 71 12.826 -4.298 -7.566 1.00 0.00 C ATOM 1120 OE1 GLN A 71 12.909 -3.235 -8.319 1.00 0.00 O flip ATOM 1121 NE2 GLN A 71 13.589 -5.248 -7.706 1.00 0.00 N flip ATOM 0 H GLN A 71 9.238 -5.585 -6.306 1.00 0.00 H new ATOM 0 HA GLN A 71 9.896 -3.337 -4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.089 -3.938 -7.732 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.755 -2.488 -7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.213 -3.852 -5.562 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.515 -5.321 -6.215 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.501 -6.066 -7.103 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.312 -5.220 -8.425 1.00 0.00 H new ATOM 1130 N CYS A 72 7.407 -2.910 -6.838 1.00 0.00 N ATOM 1131 CA CYS A 72 6.315 -2.017 -7.108 1.00 0.00 C ATOM 1132 C CYS A 72 5.206 -2.134 -6.094 1.00 0.00 C ATOM 1133 O CYS A 72 4.443 -1.194 -5.882 1.00 0.00 O ATOM 1134 CB CYS A 72 5.822 -2.112 -8.522 1.00 0.00 C ATOM 1135 SG CYS A 72 5.440 -3.759 -9.144 1.00 0.00 S ATOM 0 H CYS A 72 7.383 -3.793 -7.349 1.00 0.00 H new ATOM 0 HA CYS A 72 6.717 -1.009 -7.000 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.925 -1.500 -8.610 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.575 -1.669 -9.174 1.00 0.00 H new ATOM 1140 N GLU A 73 5.129 -3.269 -5.450 1.00 0.00 N ATOM 1141 CA GLU A 73 4.133 -3.483 -4.415 1.00 0.00 C ATOM 1142 C GLU A 73 4.424 -2.548 -3.215 1.00 0.00 C ATOM 1143 O GLU A 73 3.506 -2.000 -2.574 1.00 0.00 O ATOM 1144 CB GLU A 73 4.140 -4.935 -3.947 1.00 0.00 C ATOM 1145 CG GLU A 73 3.750 -5.965 -4.996 1.00 0.00 C ATOM 1146 CD GLU A 73 2.278 -5.963 -5.322 1.00 0.00 C ATOM 1147 OE1 GLU A 73 1.509 -6.745 -4.688 1.00 0.00 O ATOM 1148 OE2 GLU A 73 1.865 -5.226 -6.222 1.00 0.00 O ATOM 0 H GLU A 73 5.743 -4.066 -5.619 1.00 0.00 H new ATOM 0 HA GLU A 73 3.150 -3.258 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.138 -5.175 -3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.459 -5.029 -3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.316 -5.776 -5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.035 -6.956 -4.644 1.00 0.00 H new ATOM 1155 N ALA A 74 5.724 -2.344 -2.953 1.00 0.00 N ATOM 1156 CA ALA A 74 6.210 -1.477 -1.886 1.00 0.00 C ATOM 1157 C ALA A 74 5.685 -0.075 -2.072 1.00 0.00 C ATOM 1158 O ALA A 74 5.433 0.642 -1.115 1.00 0.00 O ATOM 1159 CB ALA A 74 7.733 -1.456 -1.902 1.00 0.00 C ATOM 0 H ALA A 74 6.472 -2.786 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 74 5.858 -1.862 -0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.096 -0.808 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.112 -2.466 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.082 -1.079 -2.863 1.00 0.00 H new ATOM 1165 N ILE A 75 5.465 0.265 -3.321 1.00 0.00 N ATOM 1166 CA ILE A 75 5.013 1.569 -3.722 1.00 0.00 C ATOM 1167 C ILE A 75 3.602 1.809 -3.237 1.00 0.00 C ATOM 1168 O ILE A 75 3.257 2.915 -2.819 1.00 0.00 O ATOM 1169 CB ILE A 75 5.021 1.678 -5.252 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.411 1.354 -5.823 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.512 3.012 -5.720 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.561 2.080 -5.179 1.00 0.00 C ATOM 0 H ILE A 75 5.600 -0.376 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 75 5.684 2.310 -3.287 1.00 0.00 H new ATOM 0 HB ILE A 75 4.330 0.930 -5.640 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.582 0.282 -5.729 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.410 1.584 -6.888 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.534 3.048 -6.809 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.488 3.153 -5.373 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.144 3.804 -5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.494 1.779 -5.656 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.424 3.155 -5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.599 1.832 -4.118 1.00 0.00 H new ATOM 1184 N LYS A 76 2.803 0.752 -3.242 1.00 0.00 N ATOM 1185 CA LYS A 76 1.420 0.869 -2.868 1.00 0.00 C ATOM 1186 C LYS A 76 1.383 1.154 -1.407 1.00 0.00 C ATOM 1187 O LYS A 76 0.681 2.059 -0.946 1.00 0.00 O ATOM 1188 CB LYS A 76 0.658 -0.439 -3.151 1.00 0.00 C ATOM 1189 CG LYS A 76 0.803 -0.991 -4.579 1.00 0.00 C ATOM 1190 CD LYS A 76 0.419 0.030 -5.657 1.00 0.00 C ATOM 1191 CE LYS A 76 -1.003 0.557 -5.500 1.00 0.00 C ATOM 1192 NZ LYS A 76 -2.035 -0.494 -5.619 1.00 0.00 N ATOM 0 H LYS A 76 3.097 -0.190 -3.502 1.00 0.00 H new ATOM 0 HA LYS A 76 0.945 1.663 -3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.002 -1.199 -2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.400 -0.274 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.834 -1.308 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.177 -1.877 -4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.117 0.867 -5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.523 -0.431 -6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.098 1.041 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.185 1.321 -6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.977 -0.070 -5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.969 -0.940 -6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.885 -1.212 -4.882 1.00 0.00 H new ATOM 1206 N GLN A 77 2.246 0.441 -0.705 1.00 0.00 N ATOM 1207 CA GLN A 77 2.331 0.523 0.734 1.00 0.00 C ATOM 1208 C GLN A 77 2.655 1.925 1.188 1.00 0.00 C ATOM 1209 O GLN A 77 2.089 2.394 2.176 1.00 0.00 O ATOM 1210 CB GLN A 77 3.373 -0.417 1.290 1.00 0.00 C ATOM 1211 CG GLN A 77 3.315 -1.829 0.748 1.00 0.00 C ATOM 1212 CD GLN A 77 3.965 -2.813 1.697 1.00 0.00 C ATOM 1213 OE1 GLN A 77 3.595 -3.990 1.763 1.00 0.00 O ATOM 1214 NE2 GLN A 77 4.926 -2.350 2.451 1.00 0.00 N ATOM 0 H GLN A 77 2.908 -0.212 -1.123 1.00 0.00 H new ATOM 0 HA GLN A 77 1.351 0.234 1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.360 -0.005 1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.265 -0.455 2.374 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.276 -2.114 0.582 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.815 -1.870 -0.219 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.209 -1.373 2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.393 -2.965 3.117 1.00 0.00 H new ATOM 1223 N VAL A 78 3.553 2.607 0.443 1.00 0.00 N ATOM 1224 CA VAL A 78 3.960 3.971 0.786 1.00 0.00 C ATOM 1225 C VAL A 78 2.744 4.859 0.847 1.00 0.00 C ATOM 1226 O VAL A 78 2.576 5.630 1.783 1.00 0.00 O ATOM 1227 CB VAL A 78 4.918 4.623 -0.247 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.436 5.950 0.273 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.049 3.718 -0.634 1.00 0.00 C ATOM 0 H VAL A 78 4.002 2.231 -0.392 1.00 0.00 H new ATOM 0 HA VAL A 78 4.480 3.885 1.740 1.00 0.00 H new ATOM 0 HB VAL A 78 4.340 4.802 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.106 6.393 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.597 6.623 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.977 5.789 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.688 4.223 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.633 3.466 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.650 2.806 -1.077 1.00 0.00 H new ATOM 1239 N VAL A 79 1.879 4.710 -0.144 1.00 0.00 N ATOM 1240 CA VAL A 79 0.708 5.542 -0.257 1.00 0.00 C ATOM 1241 C VAL A 79 -0.204 5.264 0.908 1.00 0.00 C ATOM 1242 O VAL A 79 -0.626 6.184 1.613 1.00 0.00 O ATOM 1243 CB VAL A 79 -0.077 5.272 -1.561 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -1.202 6.288 -1.725 1.00 0.00 C ATOM 1245 CG2 VAL A 79 0.848 5.263 -2.771 1.00 0.00 C ATOM 0 H VAL A 79 1.974 4.013 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 79 1.041 6.580 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.525 4.281 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.745 6.084 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.885 6.215 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.782 7.293 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.266 5.071 -3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.343 6.230 -2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.598 4.482 -2.650 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.431 3.979 1.135 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.320 3.498 2.172 1.00 0.00 C ATOM 1257 C GLU A 80 -0.919 4.046 3.533 1.00 0.00 C ATOM 1258 O GLU A 80 -1.727 4.672 4.211 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.317 1.971 2.205 1.00 0.00 C ATOM 1260 CG GLU A 80 -1.721 1.319 0.893 1.00 0.00 C ATOM 1261 CD GLU A 80 -1.682 -0.180 0.964 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -0.619 -0.780 0.770 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -2.736 -0.795 1.245 1.00 0.00 O ATOM 0 H GLU A 80 0.006 3.233 0.594 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.326 3.850 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.319 1.627 2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.995 1.634 2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.727 1.641 0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.055 1.660 0.100 1.00 0.00 H new ATOM 1270 N GLN A 81 0.341 3.870 3.894 1.00 0.00 N ATOM 1271 CA GLN A 81 0.830 4.295 5.198 1.00 0.00 C ATOM 1272 C GLN A 81 0.922 5.821 5.309 1.00 0.00 C ATOM 1273 O GLN A 81 0.632 6.388 6.367 1.00 0.00 O ATOM 1274 CB GLN A 81 2.178 3.627 5.531 1.00 0.00 C ATOM 1275 CG GLN A 81 3.283 3.921 4.527 1.00 0.00 C ATOM 1276 CD GLN A 81 4.577 3.180 4.790 1.00 0.00 C ATOM 1277 OE1 GLN A 81 5.288 2.844 3.871 1.00 0.00 O ATOM 1278 NE2 GLN A 81 4.912 2.958 6.031 1.00 0.00 N ATOM 0 H GLN A 81 1.047 3.434 3.301 1.00 0.00 H new ATOM 0 HA GLN A 81 0.100 3.966 5.938 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.501 3.958 6.518 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.032 2.548 5.589 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.928 3.666 3.529 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.484 4.992 4.529 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.293 3.252 6.787 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.793 2.490 6.246 1.00 0.00 H new ATOM 1287 N ALA A 82 1.262 6.483 4.220 1.00 0.00 N ATOM 1288 CA ALA A 82 1.425 7.923 4.241 1.00 0.00 C ATOM 1289 C ALA A 82 0.094 8.637 4.365 1.00 0.00 C ATOM 1290 O ALA A 82 -0.013 9.645 5.065 1.00 0.00 O ATOM 1291 CB ALA A 82 2.182 8.410 3.017 1.00 0.00 C ATOM 0 H ALA A 82 1.430 6.048 3.313 1.00 0.00 H new ATOM 0 HA ALA A 82 2.015 8.165 5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.288 9.494 3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.170 7.950 2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.632 8.136 2.116 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.919 8.115 3.717 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.218 8.749 3.767 1.00 0.00 C ATOM 1299 C GLN A 83 -2.907 8.461 5.090 1.00 0.00 C ATOM 1300 O GLN A 83 -3.521 9.343 5.672 1.00 0.00 O ATOM 1301 CB GLN A 83 -3.103 8.361 2.563 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.497 6.889 2.484 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.218 6.538 1.196 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -4.117 5.411 0.700 1.00 0.00 O ATOM 1305 NE2 GLN A 83 -4.968 7.466 0.660 1.00 0.00 N ATOM 0 H GLN A 83 -0.873 7.265 3.156 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.061 9.825 3.698 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.012 8.961 2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.577 8.628 1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.602 6.273 2.572 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.137 6.644 3.331 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.029 8.387 1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.491 7.269 -0.193 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.727 7.248 5.607 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.380 6.855 6.842 1.00 0.00 C ATOM 1316 C LYS A 84 -2.806 7.602 8.031 1.00 0.00 C ATOM 1317 O LYS A 84 -3.520 7.903 8.989 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.347 5.312 7.037 1.00 0.00 C ATOM 1319 CG LYS A 84 -1.973 4.664 7.236 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.459 4.772 8.648 1.00 0.00 C ATOM 1321 CE LYS A 84 -0.146 4.043 8.802 1.00 0.00 C ATOM 1322 NZ LYS A 84 0.339 4.060 10.195 1.00 0.00 N ATOM 0 H LYS A 84 -2.137 6.528 5.189 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.430 7.138 6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.965 5.067 7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.816 4.851 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.032 3.612 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.257 5.132 6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.330 5.821 8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.193 4.357 9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.264 3.011 8.473 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.601 4.501 8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.242 3.548 10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.477 5.044 10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.361 3.600 10.812 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.524 7.947 7.945 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.863 8.616 9.038 1.00 0.00 C ATOM 1338 C GLN A 85 -1.339 10.072 9.129 1.00 0.00 C ATOM 1339 O GLN A 85 -1.420 10.645 10.207 1.00 0.00 O ATOM 1340 CB GLN A 85 0.668 8.511 8.921 1.00 0.00 C ATOM 1341 CG GLN A 85 1.290 9.408 7.885 1.00 0.00 C ATOM 1342 CD GLN A 85 2.797 9.383 7.886 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.368 9.651 6.763 1.00 0.00 O flip ATOM 1344 NE2 GLN A 85 3.444 9.164 8.907 1.00 0.00 N flip ATOM 0 H GLN A 85 -0.934 7.772 7.132 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.134 8.116 9.968 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.108 8.742 9.891 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.930 7.478 8.690 1.00 0.00 H new ATOM 0 HG2 GLN A 85 0.931 9.112 6.899 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.953 10.431 8.053 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.962 8.955 9.781 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.463 9.192 8.881 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.672 10.652 7.997 1.00 0.00 N ATOM 1354 CA LEU A 86 -2.227 11.989 7.982 1.00 0.00 C ATOM 1355 C LEU A 86 -3.723 11.960 8.263 1.00 0.00 C ATOM 1356 O LEU A 86 -4.264 12.873 8.885 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.874 12.734 6.681 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.588 13.588 6.714 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.741 14.741 7.681 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.622 12.772 7.101 1.00 0.00 C ATOM 0 H LEU A 86 -1.569 10.222 7.078 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.767 12.559 8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.778 12.000 5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.710 13.383 6.420 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.435 13.970 5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.175 15.332 7.691 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.575 15.370 7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.934 14.354 8.681 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.504 13.412 7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.471 12.345 8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.765 11.969 6.378 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.364 10.871 7.860 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.787 10.640 8.102 1.00 0.00 C ATOM 1374 C GLN A 87 -6.068 10.630 9.604 1.00 0.00 C ATOM 1375 O GLN A 87 -7.073 11.186 10.070 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.190 9.293 7.506 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.671 8.987 7.564 1.00 0.00 C ATOM 1378 CD GLN A 87 -7.983 7.624 7.004 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -8.234 7.461 5.815 1.00 0.00 O ATOM 1380 NE2 GLN A 87 -7.954 6.636 7.840 1.00 0.00 N ATOM 0 H GLN A 87 -3.908 10.114 7.350 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.362 11.439 7.635 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.868 9.262 6.465 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.650 8.504 8.030 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.013 9.042 8.597 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.221 9.744 7.005 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.742 6.806 8.823 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.143 5.688 7.516 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.160 10.018 10.353 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.269 9.921 11.812 1.00 0.00 C ATOM 1391 C GLN A 88 -4.743 11.183 12.475 1.00 0.00 C ATOM 1392 O GLN A 88 -4.828 11.349 13.686 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.491 8.708 12.324 1.00 0.00 C ATOM 1394 CG GLN A 88 -2.993 8.778 12.083 1.00 0.00 C ATOM 1395 CD GLN A 88 -2.265 7.508 12.448 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -2.110 6.609 11.620 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -1.795 7.423 13.658 1.00 0.00 N ATOM 0 H GLN A 88 -4.325 9.573 9.971 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.323 9.804 12.066 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.670 8.601 13.394 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.883 7.811 11.844 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.812 9.002 11.032 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.578 9.604 12.661 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.942 8.187 14.317 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.279 6.592 13.947 1.00 0.00 H new ATOM 1406 N GLY A 89 -4.196 12.050 11.674 1.00 0.00 N ATOM 1407 CA GLY A 89 -3.633 13.256 12.164 1.00 0.00 C ATOM 1408 C GLY A 89 -4.610 14.394 12.102 1.00 0.00 C ATOM 1409 O GLY A 89 -5.802 14.228 12.397 1.00 0.00 O ATOM 0 H GLY A 89 -4.132 11.933 10.663 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.307 13.113 13.194 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.746 13.506 11.581 1.00 0.00 H new ATOM 1413 N GLN A 90 -4.136 15.519 11.673 1.00 0.00 N ATOM 1414 CA GLN A 90 -4.926 16.741 11.653 1.00 0.00 C ATOM 1415 C GLN A 90 -5.610 16.947 10.319 1.00 0.00 C ATOM 1416 O GLN A 90 -6.569 17.698 10.220 1.00 0.00 O ATOM 1417 CB GLN A 90 -4.031 17.935 11.932 1.00 0.00 C ATOM 1418 CG GLN A 90 -3.302 17.863 13.249 1.00 0.00 C ATOM 1419 CD GLN A 90 -2.412 19.054 13.460 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -2.831 20.068 14.015 1.00 0.00 O ATOM 1421 NE2 GLN A 90 -1.190 18.958 13.011 1.00 0.00 N ATOM 0 H GLN A 90 -3.185 15.633 11.321 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.692 16.648 12.423 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.300 18.023 11.129 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.636 18.841 11.913 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.025 17.801 14.062 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.705 16.952 13.284 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.880 18.099 12.556 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.545 19.742 13.115 1.00 0.00 H new ATOM 1430 N GLY A 91 -5.119 16.279 9.315 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.604 16.459 7.978 1.00 0.00 C ATOM 1432 C GLY A 91 -4.479 16.238 7.037 1.00 0.00 C ATOM 1433 O GLY A 91 -3.935 15.151 6.993 1.00 0.00 O ATOM 0 H GLY A 91 -4.369 15.593 9.401 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.414 15.760 7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.010 17.463 7.854 1.00 0.00 H new ATOM 1437 N GLY A 92 -4.121 17.243 6.272 1.00 0.00 N ATOM 1438 CA GLY A 92 -2.965 17.147 5.433 1.00 0.00 C ATOM 1439 C GLY A 92 -3.180 16.412 4.143 1.00 0.00 C ATOM 1440 O GLY A 92 -2.590 16.781 3.164 1.00 0.00 O ATOM 0 H GLY A 92 -4.617 18.132 6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.614 18.154 5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.170 16.650 5.989 1.00 0.00 H new ATOM 1444 N GLN A 93 -4.040 15.407 4.132 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.303 14.558 2.949 1.00 0.00 C ATOM 1446 C GLN A 93 -4.527 15.352 1.659 1.00 0.00 C ATOM 1447 O GLN A 93 -4.149 14.906 0.581 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.501 13.650 3.180 1.00 0.00 C ATOM 1449 CG GLN A 93 -5.302 12.584 4.240 1.00 0.00 C ATOM 1450 CD GLN A 93 -6.514 11.678 4.372 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -6.390 10.503 4.678 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.686 12.208 4.151 1.00 0.00 N ATOM 0 H GLN A 93 -4.590 15.142 4.949 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.398 13.965 2.819 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.356 14.265 3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.755 13.162 2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.427 11.984 3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.099 13.060 5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.761 13.193 3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.527 11.637 4.233 1.00 0.00 H new ATOM 1461 N GLN A 94 -5.113 16.519 1.781 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.393 17.359 0.629 1.00 0.00 C ATOM 1463 C GLN A 94 -4.124 18.075 0.136 1.00 0.00 C ATOM 1464 O GLN A 94 -3.920 18.238 -1.064 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.469 18.382 0.974 1.00 0.00 C ATOM 1466 CG GLN A 94 -6.056 19.338 2.077 1.00 0.00 C ATOM 1467 CD GLN A 94 -7.129 20.340 2.449 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -8.374 19.936 2.381 1.00 0.00 O flip ATOM 1469 NE2 GLN A 94 -6.826 21.471 2.834 1.00 0.00 N flip ATOM 0 H GLN A 94 -5.409 16.916 2.673 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.752 16.716 -0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.716 18.955 0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.375 17.858 1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.787 18.762 2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.162 19.877 1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.846 21.751 2.874 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.555 22.127 3.113 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.271 18.486 1.064 1.00 0.00 N ATOM 1479 CA GLN A 95 -2.067 19.215 0.719 1.00 0.00 C ATOM 1480 C GLN A 95 -0.955 18.248 0.380 1.00 0.00 C ATOM 1481 O GLN A 95 -0.233 18.425 -0.577 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.658 20.203 1.826 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.362 19.606 3.179 1.00 0.00 C ATOM 1484 CD GLN A 95 -1.025 20.662 4.218 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -1.499 21.791 4.151 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -0.219 20.313 5.170 1.00 0.00 N ATOM 0 H GLN A 95 -3.395 18.324 2.064 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.272 19.819 -0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.774 20.746 1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.457 20.936 1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.225 19.031 3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.529 18.908 3.091 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.158 19.366 5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.038 20.985 5.892 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.884 17.204 1.164 1.00 0.00 N ATOM 1496 CA VAL A 96 0.050 16.096 0.996 1.00 0.00 C ATOM 1497 C VAL A 96 -0.188 15.377 -0.320 1.00 0.00 C ATOM 1498 O VAL A 96 0.728 14.781 -0.867 1.00 0.00 O ATOM 1499 CB VAL A 96 -0.076 15.093 2.193 1.00 0.00 C ATOM 1500 CG1 VAL A 96 0.721 13.823 1.995 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.346 15.755 3.483 1.00 0.00 C ATOM 0 H VAL A 96 -1.495 17.088 1.972 1.00 0.00 H new ATOM 0 HA VAL A 96 1.061 16.504 0.982 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.127 14.810 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.590 13.173 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.372 13.310 1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.777 14.070 1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.252 15.044 4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.383 16.082 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.292 16.618 3.675 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.404 15.492 -0.854 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.777 14.801 -2.096 1.00 0.00 C ATOM 1513 C GLN A 97 -0.788 15.091 -3.247 1.00 0.00 C ATOM 1514 O GLN A 97 -0.430 14.190 -4.008 1.00 0.00 O ATOM 1515 CB GLN A 97 -3.189 15.161 -2.515 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.699 14.328 -3.676 1.00 0.00 C ATOM 1517 CD GLN A 97 -5.138 14.629 -4.034 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -5.422 15.500 -4.856 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -6.058 13.915 -3.440 1.00 0.00 N ATOM 0 H GLN A 97 -2.150 16.057 -0.448 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.732 13.732 -1.886 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.857 15.033 -1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.222 16.215 -2.791 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.069 14.506 -4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.606 13.271 -3.426 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.791 13.200 -2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.043 14.073 -3.653 1.00 0.00 H new ATOM 1528 N GLN A 98 -0.294 16.326 -3.315 1.00 0.00 N ATOM 1529 CA GLN A 98 0.648 16.736 -4.366 1.00 0.00 C ATOM 1530 C GLN A 98 2.005 16.061 -4.199 1.00 0.00 C ATOM 1531 O GLN A 98 2.800 16.003 -5.134 1.00 0.00 O ATOM 1532 CB GLN A 98 0.862 18.253 -4.348 1.00 0.00 C ATOM 1533 CG GLN A 98 1.519 18.756 -3.076 1.00 0.00 C ATOM 1534 CD GLN A 98 1.698 20.245 -3.053 1.00 0.00 C ATOM 1535 OE1 GLN A 98 2.725 20.768 -3.494 1.00 0.00 O ATOM 1536 NE2 GLN A 98 0.727 20.936 -2.532 1.00 0.00 N ATOM 0 H GLN A 98 -0.529 17.066 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 98 0.207 16.431 -5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.478 18.535 -5.202 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.101 18.749 -4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.915 18.456 -2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.492 18.278 -2.964 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.104 20.462 -2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.797 21.952 -2.476 1.00 0.00 H new ATOM 1545 N MET A 99 2.270 15.559 -3.026 1.00 0.00 N ATOM 1546 CA MET A 99 3.564 15.010 -2.737 1.00 0.00 C ATOM 1547 C MET A 99 3.478 13.520 -2.700 1.00 0.00 C ATOM 1548 O MET A 99 4.303 12.840 -3.273 1.00 0.00 O ATOM 1549 CB MET A 99 4.036 15.526 -1.413 1.00 0.00 C ATOM 1550 CG MET A 99 5.543 15.590 -1.255 1.00 0.00 C ATOM 1551 SD MET A 99 6.342 16.682 -2.445 1.00 0.00 S ATOM 1552 CE MET A 99 8.047 16.585 -1.886 1.00 0.00 C ATOM 0 H MET A 99 1.606 15.519 -2.253 1.00 0.00 H new ATOM 0 HA MET A 99 4.270 15.307 -3.513 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.626 16.525 -1.261 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.629 14.891 -0.626 1.00 0.00 H new ATOM 0 HG2 MET A 99 5.781 15.928 -0.246 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.955 14.586 -1.361 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.675 17.209 -2.522 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.113 16.935 -0.856 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.389 15.552 -1.940 1.00 0.00 H new ATOM 1562 N VAL A 100 2.464 13.011 -2.040 1.00 0.00 N ATOM 1563 CA VAL A 100 2.255 11.571 -1.955 1.00 0.00 C ATOM 1564 C VAL A 100 2.004 10.966 -3.351 1.00 0.00 C ATOM 1565 O VAL A 100 2.288 9.806 -3.583 1.00 0.00 O ATOM 1566 CB VAL A 100 1.133 11.175 -0.943 1.00 0.00 C ATOM 1567 CG1 VAL A 100 -0.213 11.698 -1.368 1.00 0.00 C ATOM 1568 CG2 VAL A 100 1.088 9.672 -0.722 1.00 0.00 C ATOM 0 H VAL A 100 1.765 13.569 -1.550 1.00 0.00 H new ATOM 0 HA VAL A 100 3.177 11.144 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 100 1.382 11.645 0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.966 11.401 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.177 12.786 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.472 11.287 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.296 9.432 -0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.890 9.171 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.045 9.334 -0.325 1.00 0.00 H new ATOM 1578 N LYS A 101 1.510 11.776 -4.297 1.00 0.00 N ATOM 1579 CA LYS A 101 1.373 11.310 -5.679 1.00 0.00 C ATOM 1580 C LYS A 101 2.744 10.931 -6.278 1.00 0.00 C ATOM 1581 O LYS A 101 2.819 10.161 -7.226 1.00 0.00 O ATOM 1582 CB LYS A 101 0.744 12.353 -6.579 1.00 0.00 C ATOM 1583 CG LYS A 101 1.580 13.604 -6.725 1.00 0.00 C ATOM 1584 CD LYS A 101 1.420 14.213 -8.091 1.00 0.00 C ATOM 1585 CE LYS A 101 0.004 14.678 -8.363 1.00 0.00 C ATOM 1586 NZ LYS A 101 -0.140 15.220 -9.723 1.00 0.00 N ATOM 0 H LYS A 101 1.205 12.736 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 101 0.723 10.436 -5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.578 11.919 -7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.234 12.623 -6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.289 14.329 -5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.629 13.365 -6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.101 15.059 -8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.709 13.482 -8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.685 13.844 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.274 15.441 -7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.122 15.528 -9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.499 16.032 -9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.101 14.484 -10.417 1.00 0.00 H new ATOM 1600 N LYS A 102 3.830 11.485 -5.725 1.00 0.00 N ATOM 1601 CA LYS A 102 5.157 11.162 -6.182 1.00 0.00 C ATOM 1602 C LYS A 102 5.495 9.728 -5.852 1.00 0.00 C ATOM 1603 O LYS A 102 6.321 9.116 -6.509 1.00 0.00 O ATOM 1604 CB LYS A 102 6.159 12.089 -5.572 1.00 0.00 C ATOM 1605 CG LYS A 102 6.061 13.514 -6.079 1.00 0.00 C ATOM 1606 CD LYS A 102 6.882 14.448 -5.226 1.00 0.00 C ATOM 1607 CE LYS A 102 8.324 13.997 -5.094 1.00 0.00 C ATOM 1608 NZ LYS A 102 9.076 14.060 -6.373 1.00 0.00 N ATOM 0 H LYS A 102 3.799 12.159 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 102 5.188 11.283 -7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.029 12.088 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.161 11.710 -5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.406 13.561 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.019 13.834 -6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.856 15.448 -5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.434 14.518 -4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.826 14.620 -4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.345 12.974 -4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.053 13.740 -6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.618 13.445 -7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.084 15.039 -6.723 1.00 0.00 H new ATOM 1622 N ALA A 103 4.817 9.189 -4.842 1.00 0.00 N ATOM 1623 CA ALA A 103 4.956 7.779 -4.493 1.00 0.00 C ATOM 1624 C ALA A 103 4.454 6.943 -5.648 1.00 0.00 C ATOM 1625 O ALA A 103 5.021 5.940 -5.990 1.00 0.00 O ATOM 1626 CB ALA A 103 4.179 7.429 -3.230 1.00 0.00 C ATOM 0 H ALA A 103 4.166 9.707 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 103 6.008 7.573 -4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.309 6.370 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.551 8.026 -2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.121 7.640 -3.384 1.00 0.00 H new ATOM 1632 N GLN A 104 3.437 7.447 -6.306 1.00 0.00 N ATOM 1633 CA GLN A 104 2.815 6.777 -7.426 1.00 0.00 C ATOM 1634 C GLN A 104 3.712 6.904 -8.662 1.00 0.00 C ATOM 1635 O GLN A 104 3.609 6.137 -9.608 1.00 0.00 O ATOM 1636 CB GLN A 104 1.449 7.405 -7.681 1.00 0.00 C ATOM 1637 CG GLN A 104 0.545 7.413 -6.452 1.00 0.00 C ATOM 1638 CD GLN A 104 -0.807 8.016 -6.730 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -1.005 9.223 -6.595 1.00 0.00 O ATOM 1640 NE2 GLN A 104 -1.754 7.196 -7.078 1.00 0.00 N ATOM 0 H GLN A 104 3.012 8.345 -6.077 1.00 0.00 H new ATOM 0 HA GLN A 104 2.683 5.718 -7.206 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.588 8.429 -8.027 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.952 6.861 -8.484 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.416 6.392 -6.094 1.00 0.00 H new ATOM 0 HG3 GLN A 104 1.031 7.972 -5.652 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.555 6.201 -7.181 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.696 7.548 -7.248 1.00 0.00 H new ATOM 1649 N MET A 105 4.610 7.871 -8.625 1.00 0.00 N ATOM 1650 CA MET A 105 5.557 8.088 -9.708 1.00 0.00 C ATOM 1651 C MET A 105 6.787 7.239 -9.521 1.00 0.00 C ATOM 1652 O MET A 105 7.572 7.068 -10.450 1.00 0.00 O ATOM 1653 CB MET A 105 6.023 9.510 -9.744 1.00 0.00 C ATOM 1654 CG MET A 105 4.930 10.530 -9.805 1.00 0.00 C ATOM 1655 SD MET A 105 5.599 12.197 -9.986 1.00 0.00 S ATOM 1656 CE MET A 105 4.108 13.154 -10.126 1.00 0.00 C ATOM 0 H MET A 105 4.705 8.526 -7.849 1.00 0.00 H new ATOM 0 HA MET A 105 5.036 7.829 -10.630 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.629 9.701 -8.858 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.672 9.642 -10.609 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.269 10.308 -10.643 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.326 10.474 -8.899 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.170 13.797 -11.004 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.254 12.484 -10.226 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.985 13.768 -9.234 1.00 0.00 H new ATOM 1666 N LEU A 106 6.962 6.719 -8.322 1.00 0.00 N ATOM 1667 CA LEU A 106 8.132 5.907 -7.975 1.00 0.00 C ATOM 1668 C LEU A 106 8.360 4.754 -8.961 1.00 0.00 C ATOM 1669 O LEU A 106 9.455 4.623 -9.478 1.00 0.00 O ATOM 1670 CB LEU A 106 8.067 5.381 -6.540 1.00 0.00 C ATOM 1671 CG LEU A 106 8.110 6.414 -5.420 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.930 5.740 -4.072 1.00 0.00 C ATOM 1673 CD2 LEU A 106 9.404 7.202 -5.443 1.00 0.00 C ATOM 0 H LEU A 106 6.302 6.842 -7.554 1.00 0.00 H new ATOM 0 HA LEU A 106 8.989 6.577 -8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.149 4.803 -6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.897 4.690 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 106 7.289 7.113 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.963 6.491 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.968 5.229 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.730 5.016 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.401 7.930 -4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.246 6.522 -5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.496 7.722 -6.396 1.00 0.00 H new ATOM 1685 N PRO A 107 7.336 3.915 -9.279 1.00 0.00 N ATOM 1686 CA PRO A 107 7.495 2.835 -10.241 1.00 0.00 C ATOM 1687 C PRO A 107 7.822 3.340 -11.632 1.00 0.00 C ATOM 1688 O PRO A 107 8.439 2.639 -12.415 1.00 0.00 O ATOM 1689 CB PRO A 107 6.142 2.116 -10.229 1.00 0.00 C ATOM 1690 CG PRO A 107 5.193 3.114 -9.691 1.00 0.00 C ATOM 1691 CD PRO A 107 5.980 3.917 -8.710 1.00 0.00 C ATOM 0 HA PRO A 107 8.328 2.185 -9.974 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.855 1.796 -11.230 1.00 0.00 H new ATOM 0 HB3 PRO A 107 6.174 1.223 -9.605 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.793 3.745 -10.485 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.343 2.629 -9.211 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.587 4.929 -8.612 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.960 3.469 -7.716 1.00 0.00 H new ATOM 1699 N ASN A 108 7.478 4.572 -11.903 1.00 0.00 N ATOM 1700 CA ASN A 108 7.671 5.133 -13.180 1.00 0.00 C ATOM 1701 C ASN A 108 9.106 5.648 -13.291 1.00 0.00 C ATOM 1702 O ASN A 108 9.782 5.431 -14.283 1.00 0.00 O ATOM 1703 CB ASN A 108 6.662 6.265 -13.362 1.00 0.00 C ATOM 1704 CG ASN A 108 5.204 5.823 -13.165 1.00 0.00 C ATOM 1705 OD1 ASN A 108 4.833 4.670 -13.423 1.00 0.00 O ATOM 1706 ND2 ASN A 108 4.376 6.719 -12.716 1.00 0.00 N ATOM 0 H ASN A 108 7.054 5.206 -11.226 1.00 0.00 H new ATOM 0 HA ASN A 108 7.517 4.390 -13.962 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.891 7.062 -12.655 1.00 0.00 H new ATOM 0 HB3 ASN A 108 6.774 6.684 -14.362 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.396 6.479 -12.569 1.00 0.00 H new ATOM 0 HD22 ASN A 108 4.707 7.662 -12.511 1.00 0.00 H new ATOM 1713 N GLN A 109 9.578 6.280 -12.226 1.00 0.00 N ATOM 1714 CA GLN A 109 10.927 6.858 -12.177 1.00 0.00 C ATOM 1715 C GLN A 109 11.997 5.810 -11.859 1.00 0.00 C ATOM 1716 O GLN A 109 13.115 5.882 -12.351 1.00 0.00 O ATOM 1717 CB GLN A 109 10.981 7.983 -11.144 1.00 0.00 C ATOM 1718 CG GLN A 109 10.166 9.214 -11.514 1.00 0.00 C ATOM 1719 CD GLN A 109 10.746 9.966 -12.706 1.00 0.00 C ATOM 1720 OE1 GLN A 109 11.582 10.857 -12.538 1.00 0.00 O ATOM 1721 NE2 GLN A 109 10.304 9.644 -13.897 1.00 0.00 N ATOM 0 H GLN A 109 9.042 6.410 -11.368 1.00 0.00 H new ATOM 0 HA GLN A 109 11.142 7.257 -13.168 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.624 7.600 -10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 109 12.020 8.279 -11.001 1.00 0.00 H new ATOM 0 HG2 GLN A 109 9.144 8.913 -11.742 1.00 0.00 H new ATOM 0 HG3 GLN A 109 10.117 9.884 -10.656 1.00 0.00 H new ATOM 0 HE21 GLN A 109 9.612 8.902 -14.001 1.00 0.00 H new ATOM 0 HE22 GLN A 109 10.652 10.136 -14.720 1.00 0.00 H new ATOM 1730 N CYS A 110 11.644 4.839 -11.051 1.00 0.00 N ATOM 1731 CA CYS A 110 12.576 3.786 -10.637 1.00 0.00 C ATOM 1732 C CYS A 110 12.545 2.649 -11.662 1.00 0.00 C ATOM 1733 O CYS A 110 13.288 1.665 -11.550 1.00 0.00 O ATOM 1734 CB CYS A 110 12.169 3.280 -9.237 1.00 0.00 C ATOM 1735 SG CYS A 110 13.356 2.184 -8.375 1.00 0.00 S ATOM 0 H CYS A 110 10.708 4.745 -10.656 1.00 0.00 H new ATOM 0 HA CYS A 110 13.593 4.175 -10.588 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.986 4.147 -8.603 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.222 2.748 -9.331 1.00 0.00 H new ATOM 1740 N ASN A 111 11.684 2.825 -12.670 1.00 0.00 N ATOM 1741 CA ASN A 111 11.460 1.876 -13.763 1.00 0.00 C ATOM 1742 C ASN A 111 11.138 0.500 -13.209 1.00 0.00 C ATOM 1743 O ASN A 111 11.885 -0.469 -13.363 1.00 0.00 O ATOM 1744 CB ASN A 111 12.635 1.839 -14.755 1.00 0.00 C ATOM 1745 CG ASN A 111 12.261 1.178 -16.077 1.00 0.00 C ATOM 1746 OD1 ASN A 111 12.415 -0.029 -16.262 1.00 0.00 O ATOM 1747 ND2 ASN A 111 11.774 1.968 -17.002 1.00 0.00 N ATOM 0 H ASN A 111 11.105 3.661 -12.749 1.00 0.00 H new ATOM 0 HA ASN A 111 10.598 2.222 -14.333 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.978 2.856 -14.945 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.469 1.300 -14.306 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.509 1.587 -17.910 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.660 2.964 -16.814 1.00 0.00 H new ATOM 1754 N LEU A 112 10.077 0.466 -12.469 1.00 0.00 N ATOM 1755 CA LEU A 112 9.597 -0.729 -11.838 1.00 0.00 C ATOM 1756 C LEU A 112 8.624 -1.425 -12.731 1.00 0.00 C ATOM 1757 O LEU A 112 8.054 -0.812 -13.623 1.00 0.00 O ATOM 1758 CB LEU A 112 8.983 -0.424 -10.477 1.00 0.00 C ATOM 1759 CG LEU A 112 9.924 0.278 -9.507 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.256 0.548 -8.166 1.00 0.00 C ATOM 1761 CD2 LEU A 112 11.197 -0.526 -9.328 1.00 0.00 C ATOM 0 H LEU A 112 9.503 1.288 -12.280 1.00 0.00 H new ATOM 0 HA LEU A 112 10.443 -1.395 -11.668 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.099 0.198 -10.621 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.646 -1.357 -10.026 1.00 0.00 H new ATOM 0 HG LEU A 112 10.182 1.246 -9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.961 1.050 -7.503 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.383 1.184 -8.316 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.945 -0.396 -7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.858 -0.010 -8.632 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.952 -1.512 -8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.697 -0.635 -10.290 1.00 0.00 H new ATOM 1773 N GLN A 113 8.425 -2.702 -12.481 1.00 0.00 N ATOM 1774 CA GLN A 113 7.581 -3.586 -13.310 1.00 0.00 C ATOM 1775 C GLN A 113 6.080 -3.320 -13.102 1.00 0.00 C ATOM 1776 O GLN A 113 5.234 -4.225 -13.223 1.00 0.00 O ATOM 1777 CB GLN A 113 7.916 -5.035 -12.981 1.00 0.00 C ATOM 1778 CG GLN A 113 9.416 -5.324 -12.931 1.00 0.00 C ATOM 1779 CD GLN A 113 10.153 -5.005 -14.225 1.00 0.00 C ATOM 1780 OE1 GLN A 113 9.505 -5.172 -15.343 1.00 0.00 O flip ATOM 1781 NE2 GLN A 113 11.327 -4.635 -14.204 1.00 0.00 N flip ATOM 0 H GLN A 113 8.846 -3.179 -11.684 1.00 0.00 H new ATOM 0 HA GLN A 113 7.793 -3.379 -14.359 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.474 -5.291 -12.018 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.455 -5.683 -13.726 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.860 -4.746 -12.120 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.565 -6.377 -12.690 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.807 -4.513 -13.313 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.819 -4.450 -15.078 1.00 0.00 H new ATOM 1790 N CYS A 114 5.777 -2.083 -12.907 1.00 0.00 N ATOM 1791 CA CYS A 114 4.487 -1.587 -12.594 1.00 0.00 C ATOM 1792 C CYS A 114 4.448 -0.128 -12.991 1.00 0.00 C ATOM 1793 O CYS A 114 5.482 0.554 -12.950 1.00 0.00 O ATOM 1794 CB CYS A 114 4.261 -1.699 -11.101 1.00 0.00 C ATOM 1795 SG CYS A 114 3.926 -3.377 -10.448 1.00 0.00 S ATOM 0 H CYS A 114 6.475 -1.342 -12.967 1.00 0.00 H new ATOM 0 HA CYS A 114 3.718 -2.153 -13.120 1.00 0.00 H new ATOM 0 HB2 CYS A 114 5.141 -1.304 -10.592 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.423 -1.055 -10.834 1.00 0.00 H new ATOM 1800 N SER A 115 3.307 0.341 -13.368 1.00 0.00 N ATOM 1801 CA SER A 115 3.137 1.699 -13.767 1.00 0.00 C ATOM 1802 C SER A 115 1.891 2.289 -13.126 1.00 0.00 C ATOM 1803 O SER A 115 0.816 1.659 -13.114 1.00 0.00 O ATOM 1804 CB SER A 115 3.089 1.780 -15.296 1.00 0.00 C ATOM 1805 OG SER A 115 2.300 0.723 -15.837 1.00 0.00 O ATOM 0 H SER A 115 2.453 -0.215 -13.409 1.00 0.00 H new ATOM 0 HA SER A 115 3.985 2.292 -13.423 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.674 2.741 -15.600 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.100 1.727 -15.699 1.00 0.00 H new ATOM 0 HG SER A 115 2.282 0.795 -16.814 1.00 0.00 H new ATOM 1811 N ILE A 116 2.030 3.453 -12.558 1.00 0.00 N ATOM 1812 CA ILE A 116 0.923 4.130 -11.954 1.00 0.00 C ATOM 1813 C ILE A 116 0.701 5.417 -12.708 1.00 0.00 C ATOM 1814 O ILE A 116 -0.315 5.527 -13.430 1.00 0.00 O ATOM 1815 CB ILE A 116 1.129 4.415 -10.438 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.438 3.111 -9.681 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.133 5.060 -9.862 1.00 0.00 C ATOM 1818 CD1 ILE A 116 1.740 3.288 -8.209 1.00 0.00 C ATOM 1819 OXT ILE A 116 1.588 6.288 -12.686 1.00 0.00 O ATOM 0 H ILE A 116 2.915 3.958 -12.502 1.00 0.00 H new ATOM 0 HA ILE A 116 0.049 3.481 -12.014 1.00 0.00 H new ATOM 0 HB ILE A 116 1.973 5.094 -10.320 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.588 2.437 -9.785 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.290 2.625 -10.156 1.00 0.00 H new ATOM 0 HG21 ILE A 116 0.012 5.259 -8.800 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -0.333 5.996 -10.383 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -0.979 4.385 -9.992 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.945 2.316 -7.760 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.611 3.933 -8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.882 3.743 -7.714 1.00 0.00 H new