USER MOD reduce.3.24.130724 H: found=0, std=0, add=1198, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1202 hydrogens (4 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 96 HIS HE2 : A 96 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD NoAdj-H: A 98 HIS HE2 : A 98 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD NoAdj-H: A 140 HIS HE2 : A 140 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD Set 1.1: A 4 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 123 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Set 2.1: A 1 SER OG : rot -68:sc= 0.54 USER MOD Set 2.2: A 19 THR OG1 : rot 87:sc= 0.614 USER MOD Single : A 1 SER N :NH3+ 141:sc= 0.0134 (180deg=-0.0933) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -158:sc= -0.293 (180deg=-1.22!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot -9:sc= -1.78! USER MOD Single : A 17 HIS : no HE2:sc= -0.0253 K(o=-0.025,f=-2.5) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0184 K(o=-0.018,f=-0.55) USER MOD Single : A 25 GLN : amide:sc= -0.45 K(o=-0.45,f=-2.2) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -16.7! C(o=-17!,f=-17!) USER MOD Single : A 29 ASN : amide:sc= -1.89 X(o=-1.9,f=-2) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 84:sc= -0.816 USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -1.81 F(o=-3.4!,f=-1.8) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -130:sc= -5.66! USER MOD Single : A 71 GLN :FLIP amide:sc= -1.14 F(o=-3!,f=-1.1) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.8 K(o=-0.8,f=-7.4!) USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -161:sc= -0.155 (180deg=-0.853) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0.443 K(o=0.44,f=-6.3!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.349 USER MOD Single : A 114 CYS SG : rot 134:sc= 1.37 USER MOD Single : A 116 HIS : no HD1:sc= -0.614 X(o=-0.61,f=-0.66) USER MOD Single : A 126 CYS SG : rot 99:sc= -0.717! USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 ASN :FLIP amide:sc= -15.3! C(o=-18!,f=-15!) USER MOD Single : A 133 SER OG : rot 43:sc= -0.202! USER MOD Single : A 137 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.09) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 MET CE :methyl 157:sc= 0 (180deg=-0.163) USER MOD Single : A 146 SER OG : rot -8:sc= 0.958! USER MOD Single : A 149 ASN : amide:sc= -2.26! C(o=-2.3!,f=-6.2!) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.999 8.227 0.518 1.00 0.00 N ATOM 2 CA SER A 1 9.262 7.867 1.221 1.00 0.00 C ATOM 3 C SER A 1 9.320 8.593 2.571 1.00 0.00 C ATOM 4 O SER A 1 10.164 9.438 2.790 1.00 0.00 O ATOM 5 CB SER A 1 10.458 8.286 0.363 1.00 0.00 C ATOM 6 OG SER A 1 11.661 8.050 1.083 1.00 0.00 O ATOM 0 H1 SER A 1 8.188 8.340 -0.499 1.00 0.00 H new ATOM 0 H2 SER A 1 7.297 7.473 0.658 1.00 0.00 H new ATOM 0 H3 SER A 1 7.630 9.120 0.903 1.00 0.00 H new ATOM 0 HA SER A 1 9.293 6.790 1.387 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.464 7.724 -0.571 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.379 9.341 0.100 1.00 0.00 H new ATOM 0 HG SER A 1 11.713 8.665 1.844 1.00 0.00 H new ATOM 14 N ALA A 2 8.428 8.276 3.475 1.00 0.00 N ATOM 15 CA ALA A 2 8.440 8.958 4.809 1.00 0.00 C ATOM 16 C ALA A 2 7.814 8.044 5.862 1.00 0.00 C ATOM 17 O ALA A 2 6.935 7.260 5.564 1.00 0.00 O ATOM 18 CB ALA A 2 7.639 10.259 4.714 1.00 0.00 C ATOM 0 H ALA A 2 7.695 7.578 3.350 1.00 0.00 H new ATOM 0 HA ALA A 2 9.468 9.180 5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.644 10.761 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.090 10.910 3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.612 10.034 4.427 1.00 0.00 H new ATOM 24 N LEU A 3 8.244 8.138 7.096 1.00 0.00 N ATOM 25 CA LEU A 3 7.649 7.277 8.150 1.00 0.00 C ATOM 26 C LEU A 3 7.428 8.122 9.403 1.00 0.00 C ATOM 27 O LEU A 3 8.309 8.827 9.848 1.00 0.00 O ATOM 28 CB LEU A 3 8.596 6.121 8.454 1.00 0.00 C ATOM 29 CG LEU A 3 8.052 5.317 9.631 1.00 0.00 C ATOM 30 CD1 LEU A 3 6.609 4.891 9.352 1.00 0.00 C ATOM 31 CD2 LEU A 3 8.914 4.073 9.824 1.00 0.00 C ATOM 0 H LEU A 3 8.978 8.772 7.413 1.00 0.00 H new ATOM 0 HA LEU A 3 6.696 6.870 7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.699 5.480 7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.590 6.502 8.688 1.00 0.00 H new ATOM 0 HG LEU A 3 8.075 5.933 10.530 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.229 4.318 10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.990 5.776 9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.579 4.275 8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.532 3.492 10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.884 3.466 8.919 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.943 4.371 10.027 1.00 0.00 H new ATOM 43 N THR A 4 6.258 8.057 9.972 1.00 0.00 N ATOM 44 CA THR A 4 5.978 8.855 11.195 1.00 0.00 C ATOM 45 C THR A 4 5.315 7.959 12.229 1.00 0.00 C ATOM 46 O THR A 4 4.442 7.198 11.908 1.00 0.00 O ATOM 47 CB THR A 4 5.042 10.006 10.846 1.00 0.00 C ATOM 48 OG1 THR A 4 5.340 10.480 9.541 1.00 0.00 O ATOM 49 CG2 THR A 4 5.247 11.126 11.853 1.00 0.00 C ATOM 0 H THR A 4 5.482 7.484 9.641 1.00 0.00 H new ATOM 0 HA THR A 4 6.909 9.255 11.596 1.00 0.00 H new ATOM 0 HB THR A 4 4.007 9.666 10.876 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.737 11.219 9.316 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.582 11.956 11.614 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.024 10.760 12.855 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.282 11.466 11.813 1.00 0.00 H new ATOM 57 N ILE A 5 5.681 8.053 13.469 1.00 0.00 N ATOM 58 CA ILE A 5 5.000 7.196 14.476 1.00 0.00 C ATOM 59 C ILE A 5 4.820 7.997 15.755 1.00 0.00 C ATOM 60 O ILE A 5 5.792 8.373 16.388 1.00 0.00 O ATOM 61 CB ILE A 5 5.884 5.966 14.762 1.00 0.00 C ATOM 62 CG1 ILE A 5 6.525 5.470 13.450 1.00 0.00 C ATOM 63 CG2 ILE A 5 5.030 4.847 15.378 1.00 0.00 C ATOM 64 CD1 ILE A 5 7.546 4.369 13.752 1.00 0.00 C ATOM 0 H ILE A 5 6.408 8.672 13.828 1.00 0.00 H new ATOM 0 HA ILE A 5 4.029 6.871 14.103 1.00 0.00 H new ATOM 0 HB ILE A 5 6.671 6.244 15.463 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.754 5.089 12.780 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.012 6.299 12.937 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.658 3.979 15.579 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.587 5.198 16.310 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.238 4.569 14.683 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.995 4.023 12.821 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.324 4.764 14.405 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.047 3.535 14.245 1.00 0.00 H new ATOM 76 N PHE A 6 3.610 8.293 16.155 1.00 0.00 N ATOM 77 CA PHE A 6 3.394 9.089 17.391 1.00 0.00 C ATOM 78 C PHE A 6 2.721 8.200 18.426 1.00 0.00 C ATOM 79 O PHE A 6 2.283 7.109 18.122 1.00 0.00 O ATOM 80 CB PHE A 6 2.448 10.256 17.103 1.00 0.00 C ATOM 81 CG PHE A 6 1.773 10.074 15.770 1.00 0.00 C ATOM 82 CD1 PHE A 6 2.491 10.219 14.571 1.00 0.00 C ATOM 83 CD2 PHE A 6 0.410 9.782 15.738 1.00 0.00 C ATOM 84 CE1 PHE A 6 1.830 10.069 13.345 1.00 0.00 C ATOM 85 CE2 PHE A 6 -0.246 9.629 14.518 1.00 0.00 C ATOM 86 CZ PHE A 6 0.460 9.774 13.320 1.00 0.00 C ATOM 0 H PHE A 6 2.757 8.013 15.671 1.00 0.00 H new ATOM 0 HA PHE A 6 4.354 9.463 17.747 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.697 10.326 17.890 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.005 11.193 17.110 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.547 10.445 14.594 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.139 9.674 16.662 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.376 10.181 12.420 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.301 9.398 14.498 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.050 9.659 12.375 1.00 0.00 H new ATOM 96 N SER A 7 2.595 8.656 19.637 1.00 0.00 N ATOM 97 CA SER A 7 1.913 7.825 20.661 1.00 0.00 C ATOM 98 C SER A 7 0.391 7.984 20.515 1.00 0.00 C ATOM 99 O SER A 7 -0.102 8.994 20.050 1.00 0.00 O ATOM 100 CB SER A 7 2.345 8.285 22.050 1.00 0.00 C ATOM 101 OG SER A 7 1.846 7.378 23.021 1.00 0.00 O ATOM 0 H SER A 7 2.932 9.562 19.961 1.00 0.00 H new ATOM 0 HA SER A 7 2.182 6.778 20.524 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.432 8.335 22.107 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.969 9.289 22.246 1.00 0.00 H new ATOM 0 HG SER A 7 2.123 7.670 23.914 1.00 0.00 H new ATOM 107 N VAL A 8 -0.348 6.988 20.916 1.00 0.00 N ATOM 108 CA VAL A 8 -1.836 7.065 20.809 1.00 0.00 C ATOM 109 C VAL A 8 -2.351 8.247 21.639 1.00 0.00 C ATOM 110 O VAL A 8 -3.455 8.714 21.443 1.00 0.00 O ATOM 111 CB VAL A 8 -2.466 5.777 21.344 1.00 0.00 C ATOM 112 CG1 VAL A 8 -2.360 4.673 20.292 1.00 0.00 C ATOM 113 CG2 VAL A 8 -1.737 5.337 22.614 1.00 0.00 C ATOM 0 H VAL A 8 0.013 6.121 21.314 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.107 7.198 19.762 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.516 5.962 21.571 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.810 3.758 20.678 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.884 4.981 19.387 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.311 4.491 20.060 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.188 4.420 22.993 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.686 5.158 22.387 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.817 6.119 23.369 1.00 0.00 H new ATOM 123 N LYS A 9 -1.561 8.738 22.559 1.00 0.00 N ATOM 124 CA LYS A 9 -2.010 9.891 23.392 1.00 0.00 C ATOM 125 C LYS A 9 -1.476 11.205 22.811 1.00 0.00 C ATOM 126 O LYS A 9 -2.109 12.239 22.913 1.00 0.00 O ATOM 127 CB LYS A 9 -1.477 9.722 24.817 1.00 0.00 C ATOM 128 CG LYS A 9 -2.164 10.729 25.740 1.00 0.00 C ATOM 129 CD LYS A 9 -1.414 10.792 27.071 1.00 0.00 C ATOM 130 CE LYS A 9 -1.565 9.460 27.810 1.00 0.00 C ATOM 131 NZ LYS A 9 -2.994 9.041 27.798 1.00 0.00 N ATOM 0 H LYS A 9 -0.625 8.390 22.768 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.100 9.920 23.399 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.661 8.706 25.168 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.398 9.874 24.834 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.182 11.714 25.273 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.201 10.437 25.908 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.359 11.005 26.896 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.806 11.605 27.682 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.948 8.697 27.335 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.214 9.560 28.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.167 8.376 28.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.602 9.877 27.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.212 8.577 26.893 1.00 0.00 H new ATOM 145 N ASP A 10 -0.305 11.176 22.222 1.00 0.00 N ATOM 146 CA ASP A 10 0.288 12.427 21.649 1.00 0.00 C ATOM 147 C ASP A 10 0.437 12.309 20.128 1.00 0.00 C ATOM 148 O ASP A 10 1.478 11.930 19.631 1.00 0.00 O ATOM 149 CB ASP A 10 1.668 12.658 22.272 1.00 0.00 C ATOM 150 CG ASP A 10 1.515 12.867 23.777 1.00 0.00 C ATOM 151 OD1 ASP A 10 0.414 12.685 24.272 1.00 0.00 O ATOM 152 OD2 ASP A 10 2.499 13.207 24.412 1.00 0.00 O ATOM 0 H ASP A 10 0.267 10.339 22.113 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.374 13.264 21.872 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.316 11.803 22.076 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.143 13.528 21.819 1.00 0.00 H new ATOM 157 N PRO A 11 -0.590 12.631 19.387 1.00 0.00 N ATOM 158 CA PRO A 11 -0.573 12.566 17.906 1.00 0.00 C ATOM 159 C PRO A 11 -0.091 13.872 17.270 1.00 0.00 C ATOM 160 O PRO A 11 0.099 13.955 16.072 1.00 0.00 O ATOM 161 CB PRO A 11 -2.036 12.310 17.556 1.00 0.00 C ATOM 162 CG PRO A 11 -2.826 12.948 18.655 1.00 0.00 C ATOM 163 CD PRO A 11 -1.894 13.096 19.871 1.00 0.00 C ATOM 0 HA PRO A 11 0.112 11.803 17.536 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.290 12.742 16.588 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.243 11.242 17.492 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.203 13.921 18.341 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.692 12.337 18.908 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.846 14.130 20.212 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.242 12.498 20.714 1.00 0.00 H new ATOM 171 N GLN A 12 0.097 14.894 18.058 1.00 0.00 N ATOM 172 CA GLN A 12 0.550 16.192 17.494 1.00 0.00 C ATOM 173 C GLN A 12 2.077 16.216 17.382 1.00 0.00 C ATOM 174 O GLN A 12 2.629 16.929 16.567 1.00 0.00 O ATOM 175 CB GLN A 12 0.109 17.320 18.433 1.00 0.00 C ATOM 176 CG GLN A 12 -1.416 17.372 18.502 1.00 0.00 C ATOM 177 CD GLN A 12 -1.845 18.454 19.495 1.00 0.00 C ATOM 178 OE1 GLN A 12 -1.036 18.952 20.254 1.00 0.00 O ATOM 179 NE2 GLN A 12 -3.090 18.841 19.524 1.00 0.00 N ATOM 0 H GLN A 12 -0.044 14.884 19.068 1.00 0.00 H new ATOM 0 HA GLN A 12 0.114 16.323 16.504 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.522 17.158 19.429 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.498 18.274 18.078 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.828 17.585 17.516 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.810 16.404 18.810 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.769 18.423 18.887 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.385 19.561 20.183 1.00 0.00 H new ATOM 188 N ASN A 13 2.764 15.447 18.187 1.00 0.00 N ATOM 189 CA ASN A 13 4.258 15.433 18.113 1.00 0.00 C ATOM 190 C ASN A 13 4.777 13.997 18.068 1.00 0.00 C ATOM 191 O ASN A 13 4.709 13.282 19.049 1.00 0.00 O ATOM 192 CB ASN A 13 4.840 16.136 19.335 1.00 0.00 C ATOM 193 CG ASN A 13 6.360 16.204 19.197 1.00 0.00 C ATOM 194 OD1 ASN A 13 7.076 15.495 19.878 1.00 0.00 O ATOM 195 ND2 ASN A 13 6.887 17.026 18.334 1.00 0.00 N ATOM 0 H ASN A 13 2.358 14.830 18.890 1.00 0.00 H new ATOM 0 HA ASN A 13 4.565 15.952 17.205 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.425 17.140 19.424 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.569 15.598 20.243 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.900 17.075 18.229 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.286 17.620 17.763 1.00 0.00 H new ATOM 202 N SER A 14 5.291 13.550 16.956 1.00 0.00 N ATOM 203 CA SER A 14 5.801 12.156 16.895 1.00 0.00 C ATOM 204 C SER A 14 7.146 12.045 17.603 1.00 0.00 C ATOM 205 O SER A 14 8.005 12.894 17.475 1.00 0.00 O ATOM 206 CB SER A 14 5.944 11.739 15.429 1.00 0.00 C ATOM 207 OG SER A 14 5.951 10.322 15.339 1.00 0.00 O ATOM 0 H SER A 14 5.379 14.087 16.093 1.00 0.00 H new ATOM 0 HA SER A 14 5.096 11.495 17.399 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.122 12.147 14.842 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.866 12.145 15.012 1.00 0.00 H new ATOM 0 HG SER A 14 6.016 9.937 16.238 1.00 0.00 H new ATOM 213 N LEU A 15 7.337 10.989 18.337 1.00 0.00 N ATOM 214 CA LEU A 15 8.626 10.796 19.043 1.00 0.00 C ATOM 215 C LEU A 15 9.584 10.083 18.099 1.00 0.00 C ATOM 216 O LEU A 15 10.626 9.610 18.504 1.00 0.00 O ATOM 217 CB LEU A 15 8.409 9.926 20.288 1.00 0.00 C ATOM 218 CG LEU A 15 7.297 10.527 21.145 1.00 0.00 C ATOM 219 CD1 LEU A 15 7.160 9.726 22.441 1.00 0.00 C ATOM 220 CD2 LEU A 15 7.646 11.978 21.473 1.00 0.00 C ATOM 0 H LEU A 15 6.651 10.248 18.478 1.00 0.00 H new ATOM 0 HA LEU A 15 9.033 11.761 19.347 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.146 8.910 19.993 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.332 9.862 20.864 1.00 0.00 H new ATOM 0 HG LEU A 15 6.354 10.492 20.600 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.366 10.156 23.052 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.916 8.690 22.205 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.100 9.760 22.991 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.856 12.413 22.085 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.588 12.011 22.020 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.743 12.547 20.548 1.00 0.00 H new ATOM 232 N TRP A 16 9.296 10.078 16.823 1.00 0.00 N ATOM 233 CA TRP A 16 10.265 9.470 15.877 1.00 0.00 C ATOM 234 C TRP A 16 9.942 9.844 14.420 1.00 0.00 C ATOM 235 O TRP A 16 8.955 9.388 13.884 1.00 0.00 O ATOM 236 CB TRP A 16 10.239 7.940 16.025 1.00 0.00 C ATOM 237 CG TRP A 16 11.418 7.333 15.311 1.00 0.00 C ATOM 238 CD1 TRP A 16 12.541 6.874 15.915 1.00 0.00 C ATOM 239 CD2 TRP A 16 11.608 7.108 13.878 1.00 0.00 C ATOM 240 NE1 TRP A 16 13.404 6.382 14.946 1.00 0.00 N ATOM 241 CE2 TRP A 16 12.874 6.507 13.672 1.00 0.00 C ATOM 242 CE3 TRP A 16 10.811 7.367 12.749 1.00 0.00 C ATOM 243 CZ2 TRP A 16 13.327 6.176 12.385 1.00 0.00 C ATOM 244 CZ3 TRP A 16 11.259 7.038 11.464 1.00 0.00 C ATOM 245 CH2 TRP A 16 12.512 6.447 11.281 1.00 0.00 C ATOM 0 H TRP A 16 8.448 10.462 16.406 1.00 0.00 H new ATOM 0 HA TRP A 16 11.256 9.856 16.117 1.00 0.00 H new ATOM 0 HB2 TRP A 16 10.263 7.668 17.080 1.00 0.00 H new ATOM 0 HB3 TRP A 16 9.311 7.542 15.615 1.00 0.00 H new ATOM 0 HD1 TRP A 16 12.733 6.889 16.978 1.00 0.00 H new ATOM 0 HE1 TRP A 16 14.318 5.977 15.147 1.00 0.00 H new ATOM 0 HE3 TRP A 16 9.841 7.825 12.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.295 5.717 12.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 10.632 7.242 10.609 1.00 0.00 H new ATOM 0 HH2 TRP A 16 12.851 6.199 10.286 1.00 0.00 H new ATOM 256 N HIS A 17 10.732 10.663 13.770 1.00 0.00 N ATOM 257 CA HIS A 17 10.428 10.998 12.339 1.00 0.00 C ATOM 258 C HIS A 17 11.715 10.926 11.534 1.00 0.00 C ATOM 259 O HIS A 17 12.687 11.599 11.816 1.00 0.00 O ATOM 260 CB HIS A 17 9.832 12.384 12.197 1.00 0.00 C ATOM 261 CG HIS A 17 9.523 12.662 10.745 1.00 0.00 C ATOM 262 ND1 HIS A 17 9.268 11.646 9.831 1.00 0.00 N ATOM 263 CD2 HIS A 17 9.419 13.836 10.035 1.00 0.00 C ATOM 264 CE1 HIS A 17 9.026 12.220 8.635 1.00 0.00 C ATOM 265 NE2 HIS A 17 9.105 13.552 8.710 1.00 0.00 N ATOM 0 H HIS A 17 11.563 11.110 14.159 1.00 0.00 H new ATOM 0 HA HIS A 17 9.696 10.279 11.971 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.923 12.462 12.793 1.00 0.00 H new ATOM 0 HB3 HIS A 17 10.528 13.130 12.579 1.00 0.00 H new ATOM 0 HD1 HIS A 17 9.265 10.646 10.030 1.00 0.00 H new ATOM 0 HD2 HIS A 17 9.560 14.826 10.444 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.798 11.673 7.732 1.00 0.00 H new ATOM 274 N SER A 18 11.720 10.102 10.539 1.00 0.00 N ATOM 275 CA SER A 18 12.942 9.959 9.700 1.00 0.00 C ATOM 276 C SER A 18 12.578 9.388 8.334 1.00 0.00 C ATOM 277 O SER A 18 11.808 8.452 8.237 1.00 0.00 O ATOM 278 CB SER A 18 13.916 9.000 10.381 1.00 0.00 C ATOM 279 OG SER A 18 15.192 9.616 10.478 1.00 0.00 O ATOM 0 H SER A 18 10.932 9.516 10.263 1.00 0.00 H new ATOM 0 HA SER A 18 13.399 10.941 9.577 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.550 8.737 11.373 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.989 8.073 9.812 1.00 0.00 H new ATOM 0 HG SER A 18 15.819 9.003 10.916 1.00 0.00 H new ATOM 285 N THR A 19 13.154 9.905 7.280 1.00 0.00 N ATOM 286 CA THR A 19 12.852 9.328 5.943 1.00 0.00 C ATOM 287 C THR A 19 14.162 8.971 5.225 1.00 0.00 C ATOM 288 O THR A 19 14.745 9.789 4.543 1.00 0.00 O ATOM 289 CB THR A 19 12.131 10.410 5.134 1.00 0.00 C ATOM 290 OG1 THR A 19 12.139 10.063 3.759 1.00 0.00 O ATOM 291 CG2 THR A 19 12.844 11.750 5.334 1.00 0.00 C ATOM 0 H THR A 19 13.808 10.687 7.288 1.00 0.00 H new ATOM 0 HA THR A 19 12.242 8.430 6.044 1.00 0.00 H new ATOM 0 HB THR A 19 11.099 10.493 5.474 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.372 9.486 3.563 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.334 12.523 4.760 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.831 12.015 6.391 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.876 11.667 4.994 1.00 0.00 H new ATOM 299 N ASN A 20 14.596 7.734 5.310 1.00 0.00 N ATOM 300 CA ASN A 20 15.821 7.300 4.577 1.00 0.00 C ATOM 301 C ASN A 20 15.584 5.896 3.990 1.00 0.00 C ATOM 302 O ASN A 20 14.781 5.143 4.509 1.00 0.00 O ATOM 303 CB ASN A 20 17.026 7.308 5.498 1.00 0.00 C ATOM 304 CG ASN A 20 18.096 8.213 4.887 1.00 0.00 C ATOM 305 OD1 ASN A 20 18.410 8.096 3.720 1.00 0.00 O ATOM 306 ND2 ASN A 20 18.671 9.124 5.625 1.00 0.00 N ATOM 0 H ASN A 20 14.147 7.003 5.862 1.00 0.00 H new ATOM 0 HA ASN A 20 16.025 7.997 3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 20 16.744 7.669 6.487 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.412 6.297 5.625 1.00 0.00 H new ATOM 0 HD21 ASN A 20 19.381 9.734 5.221 1.00 0.00 H new ATOM 0 HD22 ASN A 20 18.410 9.225 6.606 1.00 0.00 H new ATOM 313 N ALA A 21 16.242 5.519 2.926 1.00 0.00 N ATOM 314 CA ALA A 21 15.983 4.146 2.382 1.00 0.00 C ATOM 315 C ALA A 21 16.270 3.087 3.464 1.00 0.00 C ATOM 316 O ALA A 21 15.421 2.275 3.776 1.00 0.00 O ATOM 317 CB ALA A 21 16.925 3.897 1.212 1.00 0.00 C ATOM 0 H ALA A 21 16.928 6.079 2.420 1.00 0.00 H new ATOM 0 HA ALA A 21 14.942 4.077 2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 21 16.747 2.901 0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.746 4.642 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.957 3.970 1.554 1.00 0.00 H new ATOM 323 N GLU A 22 17.460 3.060 4.022 1.00 0.00 N ATOM 324 CA GLU A 22 17.784 2.032 5.059 1.00 0.00 C ATOM 325 C GLU A 22 16.988 2.304 6.330 1.00 0.00 C ATOM 326 O GLU A 22 16.693 1.409 7.089 1.00 0.00 O ATOM 327 CB GLU A 22 19.283 2.063 5.392 1.00 0.00 C ATOM 328 CG GLU A 22 20.100 1.618 4.176 1.00 0.00 C ATOM 329 CD GLU A 22 19.798 0.152 3.850 1.00 0.00 C ATOM 330 OE1 GLU A 22 19.263 -0.530 4.709 1.00 0.00 O ATOM 331 OE2 GLU A 22 20.113 -0.265 2.748 1.00 0.00 O ATOM 0 H GLU A 22 18.218 3.706 3.802 1.00 0.00 H new ATOM 0 HA GLU A 22 17.521 1.051 4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.577 3.070 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.489 1.408 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.862 2.246 3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.164 1.743 4.377 1.00 0.00 H new ATOM 338 N GLU A 23 16.669 3.538 6.590 1.00 0.00 N ATOM 339 CA GLU A 23 15.919 3.849 7.837 1.00 0.00 C ATOM 340 C GLU A 23 14.532 3.213 7.761 1.00 0.00 C ATOM 341 O GLU A 23 14.094 2.565 8.687 1.00 0.00 O ATOM 342 CB GLU A 23 15.768 5.362 7.998 1.00 0.00 C ATOM 343 CG GLU A 23 17.039 5.954 8.617 1.00 0.00 C ATOM 344 CD GLU A 23 18.276 5.499 7.836 1.00 0.00 C ATOM 345 OE1 GLU A 23 18.530 4.306 7.802 1.00 0.00 O ATOM 346 OE2 GLU A 23 18.956 6.355 7.292 1.00 0.00 O ATOM 0 H GLU A 23 16.892 4.339 6.000 1.00 0.00 H new ATOM 0 HA GLU A 23 16.468 3.452 8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.578 5.822 7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.908 5.585 8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.979 7.042 8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.123 5.642 9.658 1.00 0.00 H new ATOM 353 N ILE A 24 13.839 3.374 6.669 1.00 0.00 N ATOM 354 CA ILE A 24 12.488 2.753 6.560 1.00 0.00 C ATOM 355 C ILE A 24 12.630 1.229 6.504 1.00 0.00 C ATOM 356 O ILE A 24 11.807 0.504 7.022 1.00 0.00 O ATOM 357 CB ILE A 24 11.799 3.244 5.279 1.00 0.00 C ATOM 358 CG1 ILE A 24 11.709 4.772 5.313 1.00 0.00 C ATOM 359 CG2 ILE A 24 10.384 2.649 5.174 1.00 0.00 C ATOM 360 CD1 ILE A 24 11.231 5.288 3.953 1.00 0.00 C ATOM 0 H ILE A 24 14.145 3.904 5.853 1.00 0.00 H new ATOM 0 HA ILE A 24 11.890 3.034 7.427 1.00 0.00 H new ATOM 0 HB ILE A 24 12.380 2.924 4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.020 5.089 6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.683 5.199 5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.906 3.005 4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.448 1.561 5.150 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.794 2.959 6.037 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.167 6.376 3.978 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.937 4.984 3.180 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.248 4.872 3.731 1.00 0.00 H new ATOM 372 N GLN A 25 13.657 0.732 5.871 1.00 0.00 N ATOM 373 CA GLN A 25 13.818 -0.747 5.777 1.00 0.00 C ATOM 374 C GLN A 25 14.025 -1.343 7.172 1.00 0.00 C ATOM 375 O GLN A 25 13.450 -2.346 7.510 1.00 0.00 O ATOM 376 CB GLN A 25 15.024 -1.076 4.901 1.00 0.00 C ATOM 377 CG GLN A 25 14.849 -2.471 4.296 1.00 0.00 C ATOM 378 CD GLN A 25 14.304 -2.336 2.873 1.00 0.00 C ATOM 379 OE1 GLN A 25 14.771 -1.514 2.111 1.00 0.00 O ATOM 380 NE2 GLN A 25 13.332 -3.113 2.478 1.00 0.00 N ATOM 0 H GLN A 25 14.387 1.281 5.418 1.00 0.00 H new ATOM 0 HA GLN A 25 12.917 -1.174 5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.125 -0.334 4.109 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.939 -1.037 5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.803 -2.998 4.285 1.00 0.00 H new ATOM 0 HG3 GLN A 25 14.166 -3.062 4.906 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.939 -3.804 3.118 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.965 -3.029 1.530 1.00 0.00 H new ATOM 389 N GLN A 26 14.866 -0.757 7.972 1.00 0.00 N ATOM 390 CA GLN A 26 15.116 -1.305 9.327 1.00 0.00 C ATOM 391 C GLN A 26 13.826 -1.265 10.152 1.00 0.00 C ATOM 392 O GLN A 26 13.504 -2.196 10.856 1.00 0.00 O ATOM 393 CB GLN A 26 16.200 -0.462 10.010 1.00 0.00 C ATOM 394 CG GLN A 26 15.840 -0.250 11.481 1.00 0.00 C ATOM 395 CD GLN A 26 17.030 0.350 12.229 1.00 0.00 C ATOM 396 OE1 GLN A 26 17.909 -0.363 12.669 1.00 0.00 O ATOM 397 NE2 GLN A 26 17.090 1.642 12.399 1.00 0.00 N ATOM 0 H GLN A 26 15.394 0.085 7.742 1.00 0.00 H new ATOM 0 HA GLN A 26 15.449 -2.340 9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 26 17.166 -0.961 9.931 1.00 0.00 H new ATOM 0 HB3 GLN A 26 16.296 0.500 9.507 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.978 0.412 11.561 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.556 -1.199 11.935 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.351 2.240 12.029 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.876 2.054 12.902 1.00 0.00 H new ATOM 406 N GLN A 27 13.102 -0.180 10.093 1.00 0.00 N ATOM 407 CA GLN A 27 11.849 -0.071 10.895 1.00 0.00 C ATOM 408 C GLN A 27 10.783 -1.025 10.345 1.00 0.00 C ATOM 409 O GLN A 27 10.061 -1.663 11.086 1.00 0.00 O ATOM 410 CB GLN A 27 11.333 1.362 10.810 1.00 0.00 C ATOM 411 CG GLN A 27 12.376 2.326 11.381 1.00 0.00 C ATOM 412 CD GLN A 27 11.823 3.738 11.322 1.00 0.00 C ATOM 413 OE1 GLN A 27 11.647 4.292 10.160 1.00 0.00 O flip ATOM 414 NE2 GLN A 27 11.530 4.337 12.340 1.00 0.00 N flip ATOM 0 H GLN A 27 13.324 0.637 9.524 1.00 0.00 H new ATOM 0 HA GLN A 27 12.060 -0.336 11.931 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.117 1.619 9.773 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.398 1.455 11.363 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.615 2.057 12.410 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.303 2.260 10.811 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.671 3.897 13.249 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.144 5.279 12.284 1.00 0.00 H new ATOM 423 N LEU A 28 10.665 -1.096 9.048 1.00 0.00 N ATOM 424 CA LEU A 28 9.631 -1.979 8.438 1.00 0.00 C ATOM 425 C LEU A 28 9.973 -3.448 8.730 1.00 0.00 C ATOM 426 O LEU A 28 9.119 -4.243 9.065 1.00 0.00 O ATOM 427 CB LEU A 28 9.597 -1.730 6.923 1.00 0.00 C ATOM 428 CG LEU A 28 8.568 -0.635 6.578 1.00 0.00 C ATOM 429 CD1 LEU A 28 8.688 0.559 7.533 1.00 0.00 C ATOM 430 CD2 LEU A 28 8.775 -0.160 5.134 1.00 0.00 C ATOM 0 H LEU A 28 11.241 -0.580 8.383 1.00 0.00 H new ATOM 0 HA LEU A 28 8.651 -1.758 8.862 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.586 -1.430 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.343 -2.653 6.403 1.00 0.00 H new ATOM 0 HG LEU A 28 7.571 -1.063 6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.950 1.315 7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.512 0.226 8.556 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.688 0.986 7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.045 0.614 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.781 0.245 5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.647 -1.001 4.452 1.00 0.00 H new ATOM 442 N ASN A 29 11.218 -3.807 8.625 1.00 0.00 N ATOM 443 CA ASN A 29 11.628 -5.210 8.911 1.00 0.00 C ATOM 444 C ASN A 29 11.489 -5.490 10.410 1.00 0.00 C ATOM 445 O ASN A 29 11.181 -6.590 10.822 1.00 0.00 O ATOM 446 CB ASN A 29 13.083 -5.410 8.489 1.00 0.00 C ATOM 447 CG ASN A 29 13.214 -5.155 6.987 1.00 0.00 C ATOM 448 OD1 ASN A 29 14.296 -4.911 6.493 1.00 0.00 O ATOM 449 ND2 ASN A 29 12.148 -5.197 6.234 1.00 0.00 N ATOM 0 H ASN A 29 11.978 -3.184 8.351 1.00 0.00 H new ATOM 0 HA ASN A 29 10.989 -5.895 8.354 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.731 -4.730 9.043 1.00 0.00 H new ATOM 0 HB3 ASN A 29 13.407 -6.423 8.727 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.225 -5.025 5.232 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.239 -5.402 6.648 1.00 0.00 H new ATOM 456 N ALA A 30 11.721 -4.501 11.229 1.00 0.00 N ATOM 457 CA ALA A 30 11.612 -4.704 12.699 1.00 0.00 C ATOM 458 C ALA A 30 10.175 -5.079 13.052 1.00 0.00 C ATOM 459 O ALA A 30 9.922 -5.727 14.048 1.00 0.00 O ATOM 460 CB ALA A 30 11.996 -3.411 13.425 1.00 0.00 C ATOM 0 H ALA A 30 11.982 -3.558 10.941 1.00 0.00 H new ATOM 0 HA ALA A 30 12.285 -5.505 13.007 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.916 -3.561 14.502 1.00 0.00 H new ATOM 0 HB2 ALA A 30 13.021 -3.142 13.171 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.324 -2.609 13.119 1.00 0.00 H new ATOM 466 N LYS A 31 9.230 -4.672 12.252 1.00 0.00 N ATOM 467 CA LYS A 31 7.811 -5.003 12.548 1.00 0.00 C ATOM 468 C LYS A 31 7.367 -6.152 11.641 1.00 0.00 C ATOM 469 O LYS A 31 6.226 -6.571 11.665 1.00 0.00 O ATOM 470 CB LYS A 31 6.945 -3.771 12.271 1.00 0.00 C ATOM 471 CG LYS A 31 7.516 -2.544 12.998 1.00 0.00 C ATOM 472 CD LYS A 31 7.164 -2.596 14.488 1.00 0.00 C ATOM 473 CE LYS A 31 7.881 -1.459 15.220 1.00 0.00 C ATOM 474 NZ LYS A 31 9.224 -1.926 15.663 1.00 0.00 N ATOM 0 H LYS A 31 9.380 -4.124 11.405 1.00 0.00 H new ATOM 0 HA LYS A 31 7.705 -5.299 13.592 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.904 -3.580 11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.923 -3.955 12.601 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.598 -2.511 12.874 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.116 -1.632 12.555 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.086 -2.506 14.622 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.459 -3.557 14.909 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.983 -0.595 14.563 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.293 -1.138 16.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.713 -1.155 16.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.115 -2.738 16.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.783 -2.212 14.834 1.00 0.00 H new ATOM 488 N GLY A 32 8.260 -6.667 10.840 1.00 0.00 N ATOM 489 CA GLY A 32 7.883 -7.786 9.934 1.00 0.00 C ATOM 490 C GLY A 32 7.304 -7.222 8.634 1.00 0.00 C ATOM 491 O GLY A 32 6.583 -7.894 7.925 1.00 0.00 O ATOM 0 H GLY A 32 9.231 -6.362 10.775 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.756 -8.402 9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.151 -8.430 10.421 1.00 0.00 H new ATOM 495 N VAL A 33 7.613 -5.994 8.315 1.00 0.00 N ATOM 496 CA VAL A 33 7.075 -5.395 7.059 1.00 0.00 C ATOM 497 C VAL A 33 8.165 -5.390 5.987 1.00 0.00 C ATOM 498 O VAL A 33 9.244 -4.873 6.187 1.00 0.00 O ATOM 499 CB VAL A 33 6.628 -3.953 7.337 1.00 0.00 C ATOM 500 CG1 VAL A 33 6.252 -3.253 6.027 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.414 -3.970 8.271 1.00 0.00 C ATOM 0 H VAL A 33 8.213 -5.381 8.868 1.00 0.00 H new ATOM 0 HA VAL A 33 6.226 -5.982 6.710 1.00 0.00 H new ATOM 0 HB VAL A 33 7.449 -3.410 7.806 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.937 -2.231 6.238 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.116 -3.236 5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.436 -3.793 5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.094 -2.947 8.470 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.600 -4.520 7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.683 -4.455 9.209 1.00 0.00 H new ATOM 511 N ARG A 34 7.898 -5.975 4.853 1.00 0.00 N ATOM 512 CA ARG A 34 8.922 -6.005 3.773 1.00 0.00 C ATOM 513 C ARG A 34 8.818 -4.722 2.948 1.00 0.00 C ATOM 514 O ARG A 34 7.764 -4.126 2.843 1.00 0.00 O ATOM 515 CB ARG A 34 8.670 -7.211 2.866 1.00 0.00 C ATOM 516 CG ARG A 34 8.872 -8.502 3.661 1.00 0.00 C ATOM 517 CD ARG A 34 8.740 -9.706 2.726 1.00 0.00 C ATOM 518 NE ARG A 34 7.399 -9.684 2.074 1.00 0.00 N ATOM 519 CZ ARG A 34 6.369 -10.210 2.681 1.00 0.00 C ATOM 520 NH1 ARG A 34 6.511 -10.751 3.859 1.00 0.00 N ATOM 521 NH2 ARG A 34 5.196 -10.194 2.108 1.00 0.00 N ATOM 0 H ARG A 34 7.015 -6.433 4.628 1.00 0.00 H new ATOM 0 HA ARG A 34 9.916 -6.082 4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.657 -7.173 2.466 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.350 -7.186 2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.855 -8.501 4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 34 8.135 -8.567 4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.524 -9.680 1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.868 -10.632 3.287 1.00 0.00 H new ATOM 0 HE ARG A 34 7.286 -9.258 1.154 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.427 -10.764 4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.706 -11.161 4.332 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.084 -9.771 1.187 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.391 -10.605 2.582 1.00 0.00 H new ATOM 535 N PHE A 35 9.897 -4.286 2.360 1.00 0.00 N ATOM 536 CA PHE A 35 9.843 -3.040 1.548 1.00 0.00 C ATOM 537 C PHE A 35 10.801 -3.182 0.364 1.00 0.00 C ATOM 538 O PHE A 35 11.929 -3.613 0.515 1.00 0.00 O ATOM 539 CB PHE A 35 10.265 -1.851 2.415 1.00 0.00 C ATOM 540 CG PHE A 35 9.666 -0.577 1.863 1.00 0.00 C ATOM 541 CD1 PHE A 35 8.271 -0.417 1.801 1.00 0.00 C ATOM 542 CD2 PHE A 35 10.507 0.447 1.409 1.00 0.00 C ATOM 543 CE1 PHE A 35 7.728 0.765 1.286 1.00 0.00 C ATOM 544 CE2 PHE A 35 9.959 1.629 0.896 1.00 0.00 C ATOM 545 CZ PHE A 35 8.570 1.788 0.833 1.00 0.00 C ATOM 0 H PHE A 35 10.811 -4.737 2.407 1.00 0.00 H new ATOM 0 HA PHE A 35 8.829 -2.874 1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.935 -2.003 3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.352 -1.773 2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.620 -1.205 2.150 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.579 0.325 1.455 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.656 0.889 1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.609 2.419 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.148 2.699 0.435 1.00 0.00 H new ATOM 555 N GLU A 36 10.363 -2.834 -0.814 1.00 0.00 N ATOM 556 CA GLU A 36 11.247 -2.960 -2.007 1.00 0.00 C ATOM 557 C GLU A 36 10.807 -1.950 -3.071 1.00 0.00 C ATOM 558 O GLU A 36 9.712 -1.424 -3.019 1.00 0.00 O ATOM 559 CB GLU A 36 11.136 -4.381 -2.567 1.00 0.00 C ATOM 560 CG GLU A 36 12.313 -4.660 -3.504 1.00 0.00 C ATOM 561 CD GLU A 36 13.610 -4.703 -2.694 1.00 0.00 C ATOM 562 OE1 GLU A 36 13.534 -4.977 -1.506 1.00 0.00 O ATOM 563 OE2 GLU A 36 14.656 -4.460 -3.271 1.00 0.00 O ATOM 0 H GLU A 36 9.430 -2.467 -1.002 1.00 0.00 H new ATOM 0 HA GLU A 36 12.281 -2.760 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.129 -5.104 -1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.195 -4.498 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.163 -5.608 -4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.375 -3.886 -4.269 1.00 0.00 H new ATOM 570 N ARG A 37 11.646 -1.676 -4.035 1.00 0.00 N ATOM 571 CA ARG A 37 11.271 -0.704 -5.104 1.00 0.00 C ATOM 572 C ARG A 37 11.338 -1.405 -6.463 1.00 0.00 C ATOM 573 O ARG A 37 12.315 -2.050 -6.787 1.00 0.00 O ATOM 574 CB ARG A 37 12.263 0.460 -5.088 1.00 0.00 C ATOM 575 CG ARG A 37 12.263 1.105 -3.701 1.00 0.00 C ATOM 576 CD ARG A 37 13.281 2.245 -3.666 1.00 0.00 C ATOM 577 NE ARG A 37 13.573 2.600 -2.249 1.00 0.00 N ATOM 578 CZ ARG A 37 14.266 1.784 -1.504 1.00 0.00 C ATOM 579 NH1 ARG A 37 14.703 0.658 -2.000 1.00 0.00 N ATOM 580 NH2 ARG A 37 14.525 2.094 -0.264 1.00 0.00 N ATOM 0 H ARG A 37 12.576 -2.084 -4.128 1.00 0.00 H new ATOM 0 HA ARG A 37 10.261 -0.332 -4.931 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.263 0.104 -5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.990 1.196 -5.844 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.269 1.484 -3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.508 0.361 -2.943 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.198 1.945 -4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.891 3.113 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 37 13.232 3.480 -1.862 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.502 0.416 -2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.245 0.020 -1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.186 2.975 0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.067 1.456 0.319 1.00 0.00 H new ATOM 594 N TRP A 38 10.303 -1.305 -7.252 1.00 0.00 N ATOM 595 CA TRP A 38 10.306 -1.986 -8.576 1.00 0.00 C ATOM 596 C TRP A 38 10.525 -0.944 -9.673 1.00 0.00 C ATOM 597 O TRP A 38 10.344 0.239 -9.467 1.00 0.00 O ATOM 598 CB TRP A 38 8.953 -2.671 -8.808 1.00 0.00 C ATOM 599 CG TRP A 38 8.705 -3.721 -7.763 1.00 0.00 C ATOM 600 CD1 TRP A 38 8.723 -3.527 -6.420 1.00 0.00 C ATOM 601 CD2 TRP A 38 8.380 -5.127 -7.963 1.00 0.00 C ATOM 602 NE1 TRP A 38 8.446 -4.730 -5.791 1.00 0.00 N ATOM 603 CE2 TRP A 38 8.226 -5.746 -6.699 1.00 0.00 C ATOM 604 CE3 TRP A 38 8.212 -5.915 -9.112 1.00 0.00 C ATOM 605 CZ2 TRP A 38 7.915 -7.105 -6.583 1.00 0.00 C ATOM 606 CZ3 TRP A 38 7.901 -7.278 -9.000 1.00 0.00 C ATOM 607 CH2 TRP A 38 7.753 -7.870 -7.743 1.00 0.00 C ATOM 0 H TRP A 38 9.455 -0.781 -7.036 1.00 0.00 H new ATOM 0 HA TRP A 38 11.102 -2.730 -8.598 1.00 0.00 H new ATOM 0 HB2 TRP A 38 8.155 -1.929 -8.782 1.00 0.00 H new ATOM 0 HB3 TRP A 38 8.934 -3.125 -9.799 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.921 -2.589 -5.923 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.409 -4.850 -4.779 1.00 0.00 H new ATOM 0 HE3 TRP A 38 8.323 -5.469 -10.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.801 -7.558 -5.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 7.775 -7.874 -9.892 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.513 -8.920 -7.667 1.00 0.00 H new ATOM 618 N GLN A 39 10.919 -1.371 -10.836 1.00 0.00 N ATOM 619 CA GLN A 39 11.146 -0.402 -11.943 1.00 0.00 C ATOM 620 C GLN A 39 9.926 -0.391 -12.868 1.00 0.00 C ATOM 621 O GLN A 39 9.647 -1.356 -13.553 1.00 0.00 O ATOM 622 CB GLN A 39 12.391 -0.817 -12.726 1.00 0.00 C ATOM 623 CG GLN A 39 12.704 0.238 -13.784 1.00 0.00 C ATOM 624 CD GLN A 39 13.869 -0.239 -14.652 1.00 0.00 C ATOM 625 OE1 GLN A 39 13.716 -1.140 -15.453 1.00 0.00 O ATOM 626 NE2 GLN A 39 15.037 0.329 -14.526 1.00 0.00 N ATOM 0 H GLN A 39 11.094 -2.348 -11.070 1.00 0.00 H new ATOM 0 HA GLN A 39 11.293 0.598 -11.536 1.00 0.00 H new ATOM 0 HB2 GLN A 39 13.238 -0.931 -12.049 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.229 -1.785 -13.200 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.826 0.419 -14.403 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.957 1.184 -13.306 1.00 0.00 H new ATOM 0 HE21 GLN A 39 15.166 1.085 -13.854 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.821 0.017 -15.100 1.00 0.00 H new ATOM 635 N ALA A 40 9.195 0.691 -12.903 1.00 0.00 N ATOM 636 CA ALA A 40 8.001 0.749 -13.793 1.00 0.00 C ATOM 637 C ALA A 40 8.406 1.320 -15.153 1.00 0.00 C ATOM 638 O ALA A 40 8.157 2.470 -15.454 1.00 0.00 O ATOM 639 CB ALA A 40 6.920 1.634 -13.160 1.00 0.00 C ATOM 0 H ALA A 40 9.372 1.533 -12.356 1.00 0.00 H new ATOM 0 HA ALA A 40 7.602 -0.257 -13.926 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.050 1.672 -13.816 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.629 1.219 -12.195 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.311 2.641 -13.018 1.00 0.00 H new ATOM 645 N ASP A 41 9.031 0.526 -15.978 1.00 0.00 N ATOM 646 CA ASP A 41 9.454 1.023 -17.316 1.00 0.00 C ATOM 647 C ASP A 41 8.396 0.651 -18.358 1.00 0.00 C ATOM 648 O ASP A 41 8.521 0.975 -19.523 1.00 0.00 O ATOM 649 CB ASP A 41 10.796 0.394 -17.701 1.00 0.00 C ATOM 650 CG ASP A 41 10.639 -1.122 -17.825 1.00 0.00 C ATOM 651 OD1 ASP A 41 9.511 -1.582 -17.824 1.00 0.00 O ATOM 652 OD2 ASP A 41 11.651 -1.797 -17.918 1.00 0.00 O ATOM 0 H ASP A 41 9.267 -0.447 -15.782 1.00 0.00 H new ATOM 0 HA ASP A 41 9.563 2.107 -17.279 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.146 0.811 -18.645 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.549 0.631 -16.949 1.00 0.00 H new ATOM 657 N ARG A 42 7.356 -0.029 -17.955 1.00 0.00 N ATOM 658 CA ARG A 42 6.309 -0.417 -18.940 1.00 0.00 C ATOM 659 C ARG A 42 5.176 0.615 -18.913 1.00 0.00 C ATOM 660 O ARG A 42 4.577 0.866 -17.886 1.00 0.00 O ATOM 661 CB ARG A 42 5.750 -1.793 -18.566 1.00 0.00 C ATOM 662 CG ARG A 42 6.900 -2.799 -18.459 1.00 0.00 C ATOM 663 CD ARG A 42 6.334 -4.218 -18.379 1.00 0.00 C ATOM 664 NE ARG A 42 5.872 -4.642 -19.730 1.00 0.00 N ATOM 665 CZ ARG A 42 5.446 -5.860 -19.922 1.00 0.00 C ATOM 666 NH1 ARG A 42 5.417 -6.704 -18.927 1.00 0.00 N ATOM 667 NH2 ARG A 42 5.049 -6.234 -21.106 1.00 0.00 N ATOM 0 H ARG A 42 7.188 -0.330 -16.995 1.00 0.00 H new ATOM 0 HA ARG A 42 6.743 -0.455 -19.939 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.214 -1.735 -17.618 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.033 -2.123 -19.318 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.558 -2.707 -19.323 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.502 -2.586 -17.575 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.096 -4.905 -18.011 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.505 -4.252 -17.672 1.00 0.00 H new ATOM 0 HE ARG A 42 5.889 -3.980 -20.506 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.727 -6.411 -18.001 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.084 -7.657 -19.076 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.071 -5.574 -21.883 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.716 -7.187 -21.255 1.00 0.00 H new ATOM 681 N ASP A 43 4.880 1.217 -20.035 1.00 0.00 N ATOM 682 CA ASP A 43 3.788 2.232 -20.076 1.00 0.00 C ATOM 683 C ASP A 43 2.468 1.555 -20.445 1.00 0.00 C ATOM 684 O ASP A 43 2.393 0.801 -21.394 1.00 0.00 O ATOM 685 CB ASP A 43 4.125 3.300 -21.118 1.00 0.00 C ATOM 686 CG ASP A 43 5.378 4.058 -20.677 1.00 0.00 C ATOM 687 OD1 ASP A 43 5.747 3.931 -19.522 1.00 0.00 O ATOM 688 OD2 ASP A 43 5.948 4.751 -21.504 1.00 0.00 O ATOM 0 H ASP A 43 5.348 1.049 -20.925 1.00 0.00 H new ATOM 0 HA ASP A 43 3.690 2.698 -19.095 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.290 2.836 -22.091 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.289 3.990 -21.231 1.00 0.00 H new ATOM 693 N LEU A 44 1.429 1.807 -19.699 1.00 0.00 N ATOM 694 CA LEU A 44 0.124 1.161 -20.011 1.00 0.00 C ATOM 695 C LEU A 44 -0.643 2.025 -20.999 1.00 0.00 C ATOM 696 O LEU A 44 -1.693 1.647 -21.483 1.00 0.00 O ATOM 697 CB LEU A 44 -0.702 1.017 -18.730 1.00 0.00 C ATOM 698 CG LEU A 44 0.197 0.545 -17.583 1.00 0.00 C ATOM 699 CD1 LEU A 44 1.083 -0.589 -18.089 1.00 0.00 C ATOM 700 CD2 LEU A 44 1.076 1.700 -17.073 1.00 0.00 C ATOM 0 H LEU A 44 1.426 2.429 -18.891 1.00 0.00 H new ATOM 0 HA LEU A 44 0.306 0.176 -20.441 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.163 1.971 -18.474 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.512 0.304 -18.887 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.425 0.198 -16.758 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.729 -0.934 -17.281 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.458 -1.414 -18.432 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.696 -0.230 -18.916 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.707 1.345 -16.259 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.704 2.066 -17.886 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.441 2.509 -16.713 1.00 0.00 H new ATOM 712 N GLY A 45 -0.134 3.183 -21.296 1.00 0.00 N ATOM 713 CA GLY A 45 -0.836 4.078 -22.252 1.00 0.00 C ATOM 714 C GLY A 45 -1.071 5.433 -21.589 1.00 0.00 C ATOM 715 O GLY A 45 -0.231 5.924 -20.861 1.00 0.00 O ATOM 0 H GLY A 45 0.739 3.550 -20.918 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.242 4.201 -23.158 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.786 3.636 -22.552 1.00 0.00 H new ATOM 719 N ALA A 46 -2.203 6.046 -21.819 1.00 0.00 N ATOM 720 CA ALA A 46 -2.464 7.361 -21.176 1.00 0.00 C ATOM 721 C ALA A 46 -3.300 7.148 -19.913 1.00 0.00 C ATOM 722 O ALA A 46 -2.901 7.512 -18.824 1.00 0.00 O ATOM 723 CB ALA A 46 -3.229 8.261 -22.148 1.00 0.00 C ATOM 0 H ALA A 46 -2.949 5.695 -22.419 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.518 7.834 -20.913 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.421 9.225 -21.677 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.636 8.409 -23.050 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.177 7.791 -22.410 1.00 0.00 H new ATOM 729 N ALA A 47 -4.447 6.537 -20.042 1.00 0.00 N ATOM 730 CA ALA A 47 -5.294 6.281 -18.846 1.00 0.00 C ATOM 731 C ALA A 47 -5.095 4.821 -18.391 1.00 0.00 C ATOM 732 O ALA A 47 -5.260 3.908 -19.176 1.00 0.00 O ATOM 733 CB ALA A 47 -6.766 6.498 -19.203 1.00 0.00 C ATOM 0 H ALA A 47 -4.833 6.205 -20.926 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.010 6.964 -18.045 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.385 6.310 -18.326 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.912 7.525 -19.536 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.051 5.813 -20.002 1.00 0.00 H new ATOM 739 N PRO A 48 -4.755 4.587 -17.143 1.00 0.00 N ATOM 740 CA PRO A 48 -4.558 3.210 -16.616 1.00 0.00 C ATOM 741 C PRO A 48 -5.886 2.517 -16.306 1.00 0.00 C ATOM 742 O PRO A 48 -6.772 3.088 -15.702 1.00 0.00 O ATOM 743 CB PRO A 48 -3.762 3.422 -15.330 1.00 0.00 C ATOM 744 CG PRO A 48 -4.156 4.778 -14.853 1.00 0.00 C ATOM 745 CD PRO A 48 -4.515 5.592 -16.100 1.00 0.00 C ATOM 0 HA PRO A 48 -4.055 2.569 -17.340 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.998 2.659 -14.589 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.689 3.365 -15.515 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.005 4.718 -14.172 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.340 5.248 -14.305 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.399 6.207 -15.931 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.706 6.267 -16.379 1.00 0.00 H new ATOM 753 N THR A 49 -6.015 1.285 -16.697 1.00 0.00 N ATOM 754 CA THR A 49 -7.269 0.516 -16.418 1.00 0.00 C ATOM 755 C THR A 49 -6.948 -0.647 -15.470 1.00 0.00 C ATOM 756 O THR A 49 -5.817 -0.832 -15.066 1.00 0.00 O ATOM 757 CB THR A 49 -7.854 -0.036 -17.721 1.00 0.00 C ATOM 758 OG1 THR A 49 -7.418 0.760 -18.814 1.00 0.00 O ATOM 759 CG2 THR A 49 -9.379 -0.010 -17.640 1.00 0.00 C ATOM 0 H THR A 49 -5.300 0.765 -17.205 1.00 0.00 H new ATOM 0 HA THR A 49 -8.000 1.181 -15.957 1.00 0.00 H new ATOM 0 HB THR A 49 -7.516 -1.062 -17.868 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.792 0.404 -19.647 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.799 -0.402 -18.566 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.709 -0.625 -16.803 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.718 1.015 -17.493 1.00 0.00 H new ATOM 767 N ALA A 50 -7.929 -1.434 -15.106 1.00 0.00 N ATOM 768 CA ALA A 50 -7.652 -2.573 -14.185 1.00 0.00 C ATOM 769 C ALA A 50 -7.038 -3.742 -14.962 1.00 0.00 C ATOM 770 O ALA A 50 -6.020 -4.278 -14.577 1.00 0.00 O ATOM 771 CB ALA A 50 -8.966 -3.033 -13.550 1.00 0.00 C ATOM 0 H ALA A 50 -8.900 -1.337 -15.404 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.953 -2.248 -13.414 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.772 -3.866 -12.875 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.408 -2.208 -12.991 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.655 -3.353 -14.331 1.00 0.00 H new ATOM 777 N GLU A 51 -7.662 -4.169 -16.029 1.00 0.00 N ATOM 778 CA GLU A 51 -7.117 -5.331 -16.795 1.00 0.00 C ATOM 779 C GLU A 51 -5.738 -4.993 -17.360 1.00 0.00 C ATOM 780 O GLU A 51 -4.844 -5.802 -17.362 1.00 0.00 O ATOM 781 CB GLU A 51 -8.056 -5.663 -17.956 1.00 0.00 C ATOM 782 CG GLU A 51 -9.415 -6.109 -17.416 1.00 0.00 C ATOM 783 CD GLU A 51 -10.307 -6.517 -18.590 1.00 0.00 C ATOM 784 OE1 GLU A 51 -9.898 -6.300 -19.718 1.00 0.00 O ATOM 785 OE2 GLU A 51 -11.381 -7.041 -18.342 1.00 0.00 O ATOM 0 H GLU A 51 -8.521 -3.766 -16.402 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.034 -6.184 -16.122 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.179 -4.790 -18.597 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.623 -6.452 -18.571 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.291 -6.946 -16.729 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.880 -5.300 -16.853 1.00 0.00 H new ATOM 792 N THR A 52 -5.588 -3.819 -17.885 1.00 0.00 N ATOM 793 CA THR A 52 -4.269 -3.465 -18.488 1.00 0.00 C ATOM 794 C THR A 52 -3.231 -3.435 -17.367 1.00 0.00 C ATOM 795 O THR A 52 -2.257 -4.134 -17.403 1.00 0.00 O ATOM 796 CB THR A 52 -4.354 -2.091 -19.145 1.00 0.00 C ATOM 797 OG1 THR A 52 -3.072 -1.726 -19.641 1.00 0.00 O ATOM 798 CG2 THR A 52 -4.818 -1.073 -18.107 1.00 0.00 C ATOM 0 H THR A 52 -6.304 -3.094 -17.927 1.00 0.00 H new ATOM 0 HA THR A 52 -3.990 -4.197 -19.246 1.00 0.00 H new ATOM 0 HB THR A 52 -5.063 -2.116 -19.972 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.124 -0.844 -20.065 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.882 -0.087 -18.567 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.799 -1.361 -17.728 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.105 -1.043 -17.283 1.00 0.00 H new ATOM 806 N VAL A 53 -3.424 -2.618 -16.383 1.00 0.00 N ATOM 807 CA VAL A 53 -2.429 -2.543 -15.283 1.00 0.00 C ATOM 808 C VAL A 53 -2.132 -3.964 -14.791 1.00 0.00 C ATOM 809 O VAL A 53 -1.040 -4.265 -14.349 1.00 0.00 O ATOM 810 CB VAL A 53 -3.008 -1.706 -14.144 1.00 0.00 C ATOM 811 CG1 VAL A 53 -2.308 -2.066 -12.837 1.00 0.00 C ATOM 812 CG2 VAL A 53 -2.787 -0.223 -14.446 1.00 0.00 C ATOM 0 H VAL A 53 -4.227 -1.996 -16.288 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.507 -2.080 -15.634 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.075 -1.908 -14.050 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.722 -1.468 -12.026 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.460 -3.124 -12.622 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.241 -1.864 -12.928 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.199 0.379 -13.636 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.719 -0.026 -14.538 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.286 0.036 -15.380 1.00 0.00 H new ATOM 822 N ILE A 54 -3.096 -4.834 -14.874 1.00 0.00 N ATOM 823 CA ILE A 54 -2.881 -6.238 -14.426 1.00 0.00 C ATOM 824 C ILE A 54 -1.966 -7.004 -15.396 1.00 0.00 C ATOM 825 O ILE A 54 -0.959 -7.551 -14.999 1.00 0.00 O ATOM 826 CB ILE A 54 -4.227 -6.957 -14.337 1.00 0.00 C ATOM 827 CG1 ILE A 54 -4.789 -6.791 -12.929 1.00 0.00 C ATOM 828 CG2 ILE A 54 -4.042 -8.447 -14.640 1.00 0.00 C ATOM 829 CD1 ILE A 54 -6.244 -7.249 -12.904 1.00 0.00 C ATOM 0 H ILE A 54 -4.029 -4.633 -15.234 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.400 -6.209 -13.448 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.917 -6.528 -15.064 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.201 -7.374 -12.220 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.720 -5.748 -12.619 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.005 -8.954 -14.575 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.636 -8.566 -15.645 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.353 -8.883 -13.916 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.646 -7.130 -11.898 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.827 -6.647 -13.601 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.300 -8.298 -13.196 1.00 0.00 H new ATOM 841 N ALA A 55 -2.330 -7.076 -16.654 1.00 0.00 N ATOM 842 CA ALA A 55 -1.515 -7.843 -17.649 1.00 0.00 C ATOM 843 C ALA A 55 -0.138 -7.195 -17.849 1.00 0.00 C ATOM 844 O ALA A 55 0.874 -7.864 -17.929 1.00 0.00 O ATOM 845 CB ALA A 55 -2.248 -7.869 -18.986 1.00 0.00 C ATOM 0 H ALA A 55 -3.165 -6.632 -17.037 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.374 -8.856 -17.271 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.658 -8.426 -19.714 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.218 -8.350 -18.860 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.393 -6.849 -19.342 1.00 0.00 H new ATOM 851 N ALA A 56 -0.114 -5.898 -17.966 1.00 0.00 N ATOM 852 CA ALA A 56 1.189 -5.220 -18.208 1.00 0.00 C ATOM 853 C ALA A 56 2.095 -5.465 -17.010 1.00 0.00 C ATOM 854 O ALA A 56 3.179 -5.990 -17.158 1.00 0.00 O ATOM 855 CB ALA A 56 0.940 -3.718 -18.345 1.00 0.00 C ATOM 0 H ALA A 56 -0.927 -5.285 -17.906 1.00 0.00 H new ATOM 0 HA ALA A 56 1.656 -5.606 -19.114 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.886 -3.207 -18.523 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.266 -3.536 -19.182 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.490 -3.339 -17.428 1.00 0.00 H new ATOM 861 N TYR A 57 1.703 -5.082 -15.830 1.00 0.00 N ATOM 862 CA TYR A 57 2.598 -5.311 -14.669 1.00 0.00 C ATOM 863 C TYR A 57 2.479 -6.769 -14.234 1.00 0.00 C ATOM 864 O TYR A 57 2.892 -7.144 -13.159 1.00 0.00 O ATOM 865 CB TYR A 57 2.210 -4.369 -13.523 1.00 0.00 C ATOM 866 CG TYR A 57 2.711 -2.974 -13.825 1.00 0.00 C ATOM 867 CD1 TYR A 57 4.088 -2.721 -13.903 1.00 0.00 C ATOM 868 CD2 TYR A 57 1.801 -1.930 -14.015 1.00 0.00 C ATOM 869 CE1 TYR A 57 4.547 -1.424 -14.171 1.00 0.00 C ATOM 870 CE2 TYR A 57 2.259 -0.638 -14.284 1.00 0.00 C ATOM 871 CZ TYR A 57 3.632 -0.382 -14.361 1.00 0.00 C ATOM 872 OH TYR A 57 4.083 0.897 -14.621 1.00 0.00 O ATOM 0 H TYR A 57 0.814 -4.627 -15.621 1.00 0.00 H new ATOM 0 HA TYR A 57 3.632 -5.104 -14.946 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.127 -4.359 -13.397 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.636 -4.725 -12.585 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.794 -3.525 -13.757 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.740 -2.123 -13.954 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.607 -1.229 -14.231 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.552 0.165 -14.433 1.00 0.00 H new ATOM 0 HH TYR A 57 4.263 0.992 -15.580 1.00 0.00 H new ATOM 882 N GLN A 58 1.906 -7.596 -15.066 1.00 0.00 N ATOM 883 CA GLN A 58 1.755 -9.032 -14.703 1.00 0.00 C ATOM 884 C GLN A 58 3.129 -9.660 -14.522 1.00 0.00 C ATOM 885 O GLN A 58 3.380 -10.368 -13.571 1.00 0.00 O ATOM 886 CB GLN A 58 1.025 -9.754 -15.827 1.00 0.00 C ATOM 887 CG GLN A 58 0.651 -11.167 -15.390 1.00 0.00 C ATOM 888 CD GLN A 58 -0.794 -11.179 -14.884 1.00 0.00 C ATOM 889 OE1 GLN A 58 -1.088 -10.578 -13.763 1.00 0.00 O flip ATOM 890 NE2 GLN A 58 -1.667 -11.733 -15.523 1.00 0.00 N flip ATOM 0 H GLN A 58 1.536 -7.338 -15.981 1.00 0.00 H new ATOM 0 HA GLN A 58 1.190 -9.115 -13.774 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.127 -9.201 -16.101 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.658 -9.795 -16.714 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.761 -11.859 -16.225 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.326 -11.507 -14.604 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.438 -12.203 -16.399 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.629 -11.728 -15.183 1.00 0.00 H new ATOM 899 N HIS A 59 4.019 -9.412 -15.435 1.00 0.00 N ATOM 900 CA HIS A 59 5.379 -9.998 -15.332 1.00 0.00 C ATOM 901 C HIS A 59 5.988 -9.617 -13.980 1.00 0.00 C ATOM 902 O HIS A 59 6.835 -10.309 -13.449 1.00 0.00 O ATOM 903 CB HIS A 59 6.245 -9.444 -16.466 1.00 0.00 C ATOM 904 CG HIS A 59 6.874 -8.150 -16.029 1.00 0.00 C ATOM 905 ND1 HIS A 59 6.334 -7.007 -15.496 1.00 0.00 N flip ATOM 906 CD2 HIS A 59 8.240 -7.917 -16.124 1.00 0.00 C flip ATOM 907 CE1 HIS A 59 7.343 -6.080 -15.266 1.00 0.00 C flip ATOM 908 NE2 HIS A 59 8.471 -6.674 -15.660 1.00 0.00 N flip ATOM 0 H HIS A 59 3.862 -8.825 -16.254 1.00 0.00 H new ATOM 0 HA HIS A 59 5.328 -11.084 -15.411 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.018 -10.165 -16.733 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.638 -9.283 -17.357 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.981 -8.606 -16.501 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.237 -5.087 -14.855 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.393 -6.241 -15.615 1.00 0.00 H new ATOM 917 N ALA A 60 5.541 -8.531 -13.411 1.00 0.00 N ATOM 918 CA ALA A 60 6.069 -8.106 -12.084 1.00 0.00 C ATOM 919 C ALA A 60 5.309 -8.837 -10.973 1.00 0.00 C ATOM 920 O ALA A 60 5.873 -9.206 -9.963 1.00 0.00 O ATOM 921 CB ALA A 60 5.888 -6.594 -11.925 1.00 0.00 C ATOM 0 H ALA A 60 4.830 -7.918 -13.810 1.00 0.00 H new ATOM 0 HA ALA A 60 7.129 -8.352 -12.017 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.274 -6.281 -10.955 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.432 -6.077 -12.715 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.829 -6.345 -11.992 1.00 0.00 H new ATOM 927 N ILE A 61 4.033 -9.047 -11.149 1.00 0.00 N ATOM 928 CA ILE A 61 3.239 -9.752 -10.103 1.00 0.00 C ATOM 929 C ILE A 61 3.739 -11.188 -9.948 1.00 0.00 C ATOM 930 O ILE A 61 3.740 -11.742 -8.867 1.00 0.00 O ATOM 931 CB ILE A 61 1.761 -9.768 -10.500 1.00 0.00 C ATOM 932 CG1 ILE A 61 1.235 -8.331 -10.561 1.00 0.00 C ATOM 933 CG2 ILE A 61 0.962 -10.560 -9.463 1.00 0.00 C ATOM 934 CD1 ILE A 61 -0.166 -8.325 -11.173 1.00 0.00 C ATOM 0 H ILE A 61 3.505 -8.760 -11.973 1.00 0.00 H new ATOM 0 HA ILE A 61 3.356 -9.226 -9.155 1.00 0.00 H new ATOM 0 HB ILE A 61 1.652 -10.238 -11.478 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.208 -7.900 -9.560 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.906 -7.712 -11.157 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.091 -10.571 -9.746 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.337 -11.583 -9.418 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.070 -10.091 -8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.540 -7.302 -11.216 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.125 -8.739 -12.180 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.834 -8.930 -10.559 1.00 0.00 H new ATOM 946 N ASP A 62 4.168 -11.800 -11.017 1.00 0.00 N ATOM 947 CA ASP A 62 4.671 -13.198 -10.925 1.00 0.00 C ATOM 948 C ASP A 62 6.085 -13.202 -10.346 1.00 0.00 C ATOM 949 O ASP A 62 6.487 -14.132 -9.674 1.00 0.00 O ATOM 950 CB ASP A 62 4.695 -13.814 -12.328 1.00 0.00 C ATOM 951 CG ASP A 62 3.602 -14.878 -12.444 1.00 0.00 C ATOM 952 OD1 ASP A 62 3.416 -15.619 -11.493 1.00 0.00 O ATOM 953 OD2 ASP A 62 2.966 -14.930 -13.484 1.00 0.00 O ATOM 0 H ASP A 62 4.192 -11.391 -11.951 1.00 0.00 H new ATOM 0 HA ASP A 62 4.016 -13.778 -10.275 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.542 -13.039 -13.079 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.671 -14.259 -12.524 1.00 0.00 H new ATOM 958 N LYS A 63 6.848 -12.177 -10.608 1.00 0.00 N ATOM 959 CA LYS A 63 8.241 -12.142 -10.079 1.00 0.00 C ATOM 960 C LYS A 63 8.192 -12.123 -8.559 1.00 0.00 C ATOM 961 O LYS A 63 8.999 -12.745 -7.899 1.00 0.00 O ATOM 962 CB LYS A 63 8.956 -10.894 -10.589 1.00 0.00 C ATOM 963 CG LYS A 63 10.435 -10.946 -10.194 1.00 0.00 C ATOM 964 CD LYS A 63 11.155 -9.713 -10.750 1.00 0.00 C ATOM 965 CE LYS A 63 10.911 -8.508 -9.834 1.00 0.00 C ATOM 966 NZ LYS A 63 12.141 -8.239 -9.036 1.00 0.00 N ATOM 0 H LYS A 63 6.570 -11.367 -11.162 1.00 0.00 H new ATOM 0 HA LYS A 63 8.785 -13.023 -10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.862 -10.827 -11.673 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.490 -10.001 -10.173 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.532 -10.978 -9.109 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.895 -11.855 -10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.224 -9.910 -10.829 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.796 -9.495 -11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.650 -7.632 -10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.069 -8.706 -9.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.979 -7.422 -8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.370 -9.074 -8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.933 -8.033 -9.678 1.00 0.00 H new ATOM 980 N LEU A 64 7.326 -11.340 -7.982 1.00 0.00 N ATOM 981 CA LEU A 64 7.325 -11.225 -6.502 1.00 0.00 C ATOM 982 C LEU A 64 7.354 -12.629 -5.929 1.00 0.00 C ATOM 983 O LEU A 64 8.364 -13.058 -5.410 1.00 0.00 O ATOM 984 CB LEU A 64 6.002 -10.530 -6.097 1.00 0.00 C ATOM 985 CG LEU A 64 6.157 -9.660 -4.842 1.00 0.00 C ATOM 986 CD1 LEU A 64 5.345 -8.376 -5.014 1.00 0.00 C ATOM 987 CD2 LEU A 64 5.604 -10.375 -3.624 1.00 0.00 C ATOM 0 H LEU A 64 6.625 -10.780 -8.467 1.00 0.00 H new ATOM 0 HA LEU A 64 8.180 -10.657 -6.136 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.652 -9.911 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.237 -11.286 -5.919 1.00 0.00 H new ATOM 0 HG LEU A 64 7.218 -9.449 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.453 -7.755 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.709 -7.829 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.294 -8.627 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.723 -9.742 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.546 -10.588 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.145 -11.310 -3.474 1.00 0.00 H new ATOM 999 N VAL A 65 6.307 -13.365 -6.042 1.00 0.00 N ATOM 1000 CA VAL A 65 6.356 -14.747 -5.528 1.00 0.00 C ATOM 1001 C VAL A 65 5.500 -15.632 -6.412 1.00 0.00 C ATOM 1002 O VAL A 65 4.317 -15.404 -6.565 1.00 0.00 O ATOM 1003 CB VAL A 65 5.822 -14.762 -4.101 1.00 0.00 C ATOM 1004 CG1 VAL A 65 5.379 -16.177 -3.733 1.00 0.00 C ATOM 1005 CG2 VAL A 65 6.916 -14.306 -3.130 1.00 0.00 C ATOM 0 H VAL A 65 5.424 -13.078 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 65 7.381 -15.118 -5.533 1.00 0.00 H new ATOM 0 HB VAL A 65 4.972 -14.083 -4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.998 -16.185 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.594 -16.502 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.229 -16.855 -3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.527 -14.319 -2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.770 -14.980 -3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.230 -13.294 -3.385 1.00 0.00 H new ATOM 1015 N ALA A 66 6.069 -16.659 -6.976 1.00 0.00 N ATOM 1016 CA ALA A 66 5.240 -17.557 -7.815 1.00 0.00 C ATOM 1017 C ALA A 66 4.972 -18.837 -7.021 1.00 0.00 C ATOM 1018 O ALA A 66 5.831 -19.682 -6.874 1.00 0.00 O ATOM 1019 CB ALA A 66 6.015 -17.898 -9.090 1.00 0.00 C ATOM 0 H ALA A 66 7.054 -16.910 -6.894 1.00 0.00 H new ATOM 0 HA ALA A 66 4.298 -17.077 -8.081 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.414 -18.559 -9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.236 -16.982 -9.638 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.948 -18.397 -8.826 1.00 0.00 H new ATOM 1025 N GLU A 67 3.776 -18.993 -6.522 1.00 0.00 N ATOM 1026 CA GLU A 67 3.447 -20.227 -5.756 1.00 0.00 C ATOM 1027 C GLU A 67 1.930 -20.303 -5.560 1.00 0.00 C ATOM 1028 O GLU A 67 1.250 -19.299 -5.615 1.00 0.00 O ATOM 1029 CB GLU A 67 4.152 -20.198 -4.401 1.00 0.00 C ATOM 1030 CG GLU A 67 4.094 -21.592 -3.775 1.00 0.00 C ATOM 1031 CD GLU A 67 4.705 -21.547 -2.374 1.00 0.00 C ATOM 1032 OE1 GLU A 67 5.123 -20.476 -1.968 1.00 0.00 O ATOM 1033 OE2 GLU A 67 4.744 -22.584 -1.733 1.00 0.00 O ATOM 0 H GLU A 67 3.014 -18.320 -6.612 1.00 0.00 H new ATOM 0 HA GLU A 67 3.786 -21.105 -6.307 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.189 -19.884 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.674 -19.471 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.061 -21.936 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.636 -22.305 -4.397 1.00 0.00 H new ATOM 1040 N LYS A 68 1.393 -21.465 -5.295 1.00 0.00 N ATOM 1041 CA LYS A 68 -0.080 -21.564 -5.067 1.00 0.00 C ATOM 1042 C LYS A 68 -0.829 -20.716 -6.098 1.00 0.00 C ATOM 1043 O LYS A 68 -0.253 -20.192 -7.029 1.00 0.00 O ATOM 1044 CB LYS A 68 -0.409 -21.051 -3.657 1.00 0.00 C ATOM 1045 CG LYS A 68 0.046 -22.079 -2.615 1.00 0.00 C ATOM 1046 CD LYS A 68 -0.484 -21.680 -1.235 1.00 0.00 C ATOM 1047 CE LYS A 68 0.177 -20.373 -0.794 1.00 0.00 C ATOM 1048 NZ LYS A 68 0.131 -20.267 0.692 1.00 0.00 N ATOM 0 H LYS A 68 1.906 -22.344 -5.227 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.388 -22.605 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.087 -20.097 -3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.481 -20.875 -3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.319 -23.070 -2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.134 -22.135 -2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.567 -21.559 -1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.275 -22.468 -0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.210 -20.342 -1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.336 -19.524 -1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.581 -19.378 0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.859 -20.278 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.639 -21.071 1.113 1.00 0.00 H new ATOM 1062 N GLY A 69 -2.117 -20.586 -5.946 1.00 0.00 N ATOM 1063 CA GLY A 69 -2.897 -19.777 -6.922 1.00 0.00 C ATOM 1064 C GLY A 69 -2.958 -18.319 -6.451 1.00 0.00 C ATOM 1065 O GLY A 69 -3.616 -17.493 -7.052 1.00 0.00 O ATOM 0 H GLY A 69 -2.661 -21.003 -5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.434 -19.832 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.905 -20.180 -7.020 1.00 0.00 H new ATOM 1069 N TYR A 70 -2.275 -17.999 -5.378 1.00 0.00 N ATOM 1070 CA TYR A 70 -2.291 -16.593 -4.863 1.00 0.00 C ATOM 1071 C TYR A 70 -3.701 -16.022 -4.995 1.00 0.00 C ATOM 1072 O TYR A 70 -3.894 -14.826 -5.082 1.00 0.00 O ATOM 1073 CB TYR A 70 -1.314 -15.730 -5.671 1.00 0.00 C ATOM 1074 CG TYR A 70 -0.042 -15.500 -4.878 1.00 0.00 C ATOM 1075 CD1 TYR A 70 0.498 -16.533 -4.110 1.00 0.00 C ATOM 1076 CD2 TYR A 70 0.596 -14.248 -4.917 1.00 0.00 C ATOM 1077 CE1 TYR A 70 1.666 -16.325 -3.376 1.00 0.00 C ATOM 1078 CE2 TYR A 70 1.774 -14.027 -4.178 1.00 0.00 C ATOM 1079 CZ TYR A 70 2.306 -15.074 -3.404 1.00 0.00 C ATOM 1080 OH TYR A 70 3.449 -14.877 -2.661 1.00 0.00 O ATOM 0 H TYR A 70 -1.707 -18.651 -4.837 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.989 -16.590 -3.816 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.079 -16.221 -6.616 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.777 -14.774 -5.915 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.010 -17.496 -4.084 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.181 -13.452 -5.517 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.080 -17.128 -2.784 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.263 -13.065 -4.205 1.00 0.00 H new ATOM 0 HH TYR A 70 3.358 -14.057 -2.133 1.00 0.00 H new ATOM 1090 N GLN A 71 -4.686 -16.871 -5.013 1.00 0.00 N ATOM 1091 CA GLN A 71 -6.082 -16.384 -5.141 1.00 0.00 C ATOM 1092 C GLN A 71 -6.211 -15.537 -6.408 1.00 0.00 C ATOM 1093 O GLN A 71 -6.448 -16.049 -7.485 1.00 0.00 O ATOM 1094 CB GLN A 71 -6.450 -15.545 -3.913 1.00 0.00 C ATOM 1095 CG GLN A 71 -7.894 -15.056 -4.043 1.00 0.00 C ATOM 1096 CD GLN A 71 -8.292 -14.304 -2.772 1.00 0.00 C ATOM 1097 OE1 GLN A 71 -7.710 -14.604 -1.643 1.00 0.00 O flip ATOM 1098 NE2 GLN A 71 -9.144 -13.438 -2.805 1.00 0.00 N flip ATOM 0 H GLN A 71 -4.584 -17.884 -4.944 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.760 -17.235 -5.206 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.336 -16.139 -3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.774 -14.695 -3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.992 -14.403 -4.911 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.563 -15.902 -4.203 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.599 -13.203 -3.687 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.404 -12.946 -1.950 1.00 0.00 H new ATOM 1107 N SER A 72 -6.061 -14.248 -6.294 1.00 0.00 N ATOM 1108 CA SER A 72 -6.180 -13.381 -7.492 1.00 0.00 C ATOM 1109 C SER A 72 -5.698 -11.974 -7.141 1.00 0.00 C ATOM 1110 O SER A 72 -5.459 -11.658 -5.993 1.00 0.00 O ATOM 1111 CB SER A 72 -7.640 -13.334 -7.946 1.00 0.00 C ATOM 1112 OG SER A 72 -8.409 -12.614 -6.991 1.00 0.00 O ATOM 0 H SER A 72 -5.861 -13.759 -5.421 1.00 0.00 H new ATOM 0 HA SER A 72 -5.569 -13.782 -8.301 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.713 -12.856 -8.923 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.031 -14.346 -8.056 1.00 0.00 H new ATOM 0 HG SER A 72 -9.344 -12.582 -7.282 1.00 0.00 H new ATOM 1118 N TRP A 73 -5.570 -11.128 -8.118 1.00 0.00 N ATOM 1119 CA TRP A 73 -5.118 -9.737 -7.843 1.00 0.00 C ATOM 1120 C TRP A 73 -5.969 -8.763 -8.657 1.00 0.00 C ATOM 1121 O TRP A 73 -6.464 -9.092 -9.717 1.00 0.00 O ATOM 1122 CB TRP A 73 -3.651 -9.586 -8.230 1.00 0.00 C ATOM 1123 CG TRP A 73 -3.326 -10.529 -9.338 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -3.710 -10.378 -10.625 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -2.549 -11.757 -9.280 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -3.213 -11.435 -11.364 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -2.487 -12.310 -10.580 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -1.895 -12.435 -8.234 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -1.796 -13.494 -10.836 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -1.197 -13.627 -8.489 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -1.144 -14.153 -9.789 1.00 0.00 C ATOM 0 H TRP A 73 -5.759 -11.338 -9.098 1.00 0.00 H new ATOM 0 HA TRP A 73 -5.229 -9.520 -6.781 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -3.450 -8.561 -8.541 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.015 -9.788 -7.368 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.307 -9.565 -11.012 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -3.364 -11.554 -12.366 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.930 -12.037 -7.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -1.765 -13.899 -11.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.699 -14.141 -7.681 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.600 -15.066 -9.981 1.00 0.00 H new ATOM 1142 N ASP A 74 -6.148 -7.566 -8.168 1.00 0.00 N ATOM 1143 CA ASP A 74 -6.975 -6.572 -8.912 1.00 0.00 C ATOM 1144 C ASP A 74 -6.385 -5.173 -8.723 1.00 0.00 C ATOM 1145 O ASP A 74 -5.520 -4.963 -7.899 1.00 0.00 O ATOM 1146 CB ASP A 74 -8.414 -6.598 -8.386 1.00 0.00 C ATOM 1147 CG ASP A 74 -9.295 -5.704 -9.262 1.00 0.00 C ATOM 1148 OD1 ASP A 74 -8.851 -5.338 -10.337 1.00 0.00 O ATOM 1149 OD2 ASP A 74 -10.402 -5.403 -8.843 1.00 0.00 O ATOM 0 H ASP A 74 -5.758 -7.233 -7.286 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.976 -6.826 -9.972 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.796 -7.619 -8.391 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.441 -6.252 -7.353 1.00 0.00 H new ATOM 1154 N VAL A 75 -6.838 -4.220 -9.491 1.00 0.00 N ATOM 1155 CA VAL A 75 -6.301 -2.835 -9.369 1.00 0.00 C ATOM 1156 C VAL A 75 -7.404 -1.900 -8.881 1.00 0.00 C ATOM 1157 O VAL A 75 -8.575 -2.140 -9.103 1.00 0.00 O ATOM 1158 CB VAL A 75 -5.813 -2.355 -10.734 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -4.616 -1.423 -10.548 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -5.402 -3.560 -11.581 1.00 0.00 C ATOM 0 H VAL A 75 -7.560 -4.342 -10.201 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.474 -2.833 -8.659 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.614 -1.816 -11.239 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.267 -1.080 -11.522 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.914 -0.564 -9.946 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.812 -1.959 -10.043 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.054 -3.218 -12.556 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.600 -4.101 -11.079 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.259 -4.221 -11.713 1.00 0.00 H new ATOM 1170 N ILE A 76 -7.042 -0.839 -8.213 1.00 0.00 N ATOM 1171 CA ILE A 76 -8.068 0.116 -7.708 1.00 0.00 C ATOM 1172 C ILE A 76 -7.751 1.521 -8.228 1.00 0.00 C ATOM 1173 O ILE A 76 -6.920 2.220 -7.681 1.00 0.00 O ATOM 1174 CB ILE A 76 -8.042 0.129 -6.178 1.00 0.00 C ATOM 1175 CG1 ILE A 76 -8.181 -1.298 -5.633 1.00 0.00 C ATOM 1176 CG2 ILE A 76 -9.207 0.978 -5.665 1.00 0.00 C ATOM 1177 CD1 ILE A 76 -7.229 -1.488 -4.445 1.00 0.00 C ATOM 0 H ILE A 76 -6.077 -0.592 -7.995 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.054 -0.192 -8.055 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.094 0.548 -5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.209 -1.481 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.952 -2.021 -6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.195 0.992 -4.575 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.109 1.996 -6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.148 0.552 -6.012 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.328 -2.502 -4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.202 -1.323 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.479 -0.774 -3.660 1.00 0.00 H new ATOM 1189 N SER A 77 -8.412 1.941 -9.274 1.00 0.00 N ATOM 1190 CA SER A 77 -8.158 3.303 -9.827 1.00 0.00 C ATOM 1191 C SER A 77 -9.434 4.139 -9.725 1.00 0.00 C ATOM 1192 O SER A 77 -10.517 3.672 -10.017 1.00 0.00 O ATOM 1193 CB SER A 77 -7.742 3.181 -11.292 1.00 0.00 C ATOM 1194 OG SER A 77 -6.611 2.326 -11.388 1.00 0.00 O ATOM 0 H SER A 77 -9.119 1.398 -9.770 1.00 0.00 H new ATOM 0 HA SER A 77 -7.362 3.787 -9.261 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.566 2.782 -11.884 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.505 4.164 -11.698 1.00 0.00 H new ATOM 0 HG SER A 77 -6.342 2.244 -12.327 1.00 0.00 H new ATOM 1200 N LEU A 78 -9.316 5.375 -9.319 1.00 0.00 N ATOM 1201 CA LEU A 78 -10.524 6.242 -9.206 1.00 0.00 C ATOM 1202 C LEU A 78 -10.532 7.252 -10.352 1.00 0.00 C ATOM 1203 O LEU A 78 -9.615 8.033 -10.510 1.00 0.00 O ATOM 1204 CB LEU A 78 -10.494 6.988 -7.871 1.00 0.00 C ATOM 1205 CG LEU A 78 -10.344 5.986 -6.726 1.00 0.00 C ATOM 1206 CD1 LEU A 78 -10.451 6.717 -5.386 1.00 0.00 C ATOM 1207 CD2 LEU A 78 -11.452 4.935 -6.821 1.00 0.00 C ATOM 0 H LEU A 78 -8.436 5.821 -9.061 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.421 5.625 -9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.666 7.697 -7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.410 7.565 -7.745 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.371 5.499 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.344 6.001 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.663 7.466 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.423 7.205 -5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.346 4.220 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.424 5.424 -6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.376 4.412 -7.774 1.00 0.00 H new ATOM 1219 N ARG A 79 -11.562 7.249 -11.149 1.00 0.00 N ATOM 1220 CA ARG A 79 -11.632 8.215 -12.282 1.00 0.00 C ATOM 1221 C ARG A 79 -12.563 9.373 -11.906 1.00 0.00 C ATOM 1222 O ARG A 79 -13.500 9.211 -11.149 1.00 0.00 O ATOM 1223 CB ARG A 79 -12.152 7.501 -13.532 1.00 0.00 C ATOM 1224 CG ARG A 79 -12.069 8.440 -14.737 1.00 0.00 C ATOM 1225 CD ARG A 79 -11.670 7.639 -15.978 1.00 0.00 C ATOM 1226 NE ARG A 79 -12.720 6.628 -16.281 1.00 0.00 N ATOM 1227 CZ ARG A 79 -12.439 5.608 -17.044 1.00 0.00 C ATOM 1228 NH1 ARG A 79 -11.238 5.476 -17.538 1.00 0.00 N ATOM 1229 NH2 ARG A 79 -13.357 4.721 -17.314 1.00 0.00 N ATOM 0 H ARG A 79 -12.360 6.619 -11.066 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.638 8.611 -12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.565 6.602 -13.719 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.183 7.183 -13.378 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.030 8.928 -14.899 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.339 9.228 -14.549 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.540 8.308 -16.828 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.713 7.145 -15.812 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.657 6.733 -15.893 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.521 6.170 -17.327 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.017 4.679 -18.135 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.296 4.825 -16.928 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.136 3.924 -17.911 1.00 0.00 H new ATOM 1243 N ALA A 80 -12.302 10.543 -12.424 1.00 0.00 N ATOM 1244 CA ALA A 80 -13.158 11.721 -12.103 1.00 0.00 C ATOM 1245 C ALA A 80 -14.508 11.581 -12.808 1.00 0.00 C ATOM 1246 O ALA A 80 -15.484 12.210 -12.447 1.00 0.00 O ATOM 1247 CB ALA A 80 -12.448 12.986 -12.581 1.00 0.00 C ATOM 0 H ALA A 80 -11.528 10.734 -13.060 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.328 11.779 -11.028 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.063 13.857 -12.353 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.487 13.077 -12.074 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.287 12.928 -13.657 1.00 0.00 H new ATOM 1253 N ASP A 81 -14.562 10.754 -13.812 1.00 0.00 N ATOM 1254 CA ASP A 81 -15.841 10.551 -14.551 1.00 0.00 C ATOM 1255 C ASP A 81 -16.590 9.364 -13.943 1.00 0.00 C ATOM 1256 O ASP A 81 -17.477 8.804 -14.556 1.00 0.00 O ATOM 1257 CB ASP A 81 -15.558 10.265 -16.028 1.00 0.00 C ATOM 1258 CG ASP A 81 -16.880 10.241 -16.800 1.00 0.00 C ATOM 1259 OD1 ASP A 81 -17.890 10.596 -16.215 1.00 0.00 O ATOM 1260 OD2 ASP A 81 -16.862 9.865 -17.961 1.00 0.00 O ATOM 0 H ASP A 81 -13.773 10.207 -14.156 1.00 0.00 H new ATOM 0 HA ASP A 81 -16.445 11.455 -14.473 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -14.898 11.029 -16.438 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.044 9.309 -16.134 1.00 0.00 H new ATOM 1265 N ASN A 82 -16.246 8.983 -12.737 1.00 0.00 N ATOM 1266 CA ASN A 82 -16.946 7.837 -12.086 1.00 0.00 C ATOM 1267 C ASN A 82 -17.417 8.232 -10.670 1.00 0.00 C ATOM 1268 O ASN A 82 -16.623 8.673 -9.861 1.00 0.00 O ATOM 1269 CB ASN A 82 -15.991 6.649 -11.989 1.00 0.00 C ATOM 1270 CG ASN A 82 -16.802 5.359 -12.066 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -17.412 4.956 -11.098 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -16.839 4.691 -13.186 1.00 0.00 N ATOM 0 H ASN A 82 -15.512 9.417 -12.178 1.00 0.00 H new ATOM 0 HA ASN A 82 -17.815 7.566 -12.686 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.261 6.685 -12.798 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.433 6.689 -11.054 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.381 3.829 -13.248 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.326 5.031 -14.000 1.00 0.00 H new ATOM 1279 N PRO A 83 -18.691 8.066 -10.355 1.00 0.00 N ATOM 1280 CA PRO A 83 -19.238 8.401 -9.000 1.00 0.00 C ATOM 1281 C PRO A 83 -18.882 7.333 -7.955 1.00 0.00 C ATOM 1282 O PRO A 83 -19.230 7.436 -6.793 1.00 0.00 O ATOM 1283 CB PRO A 83 -20.749 8.455 -9.223 1.00 0.00 C ATOM 1284 CG PRO A 83 -21.011 7.538 -10.371 1.00 0.00 C ATOM 1285 CD PRO A 83 -19.750 7.545 -11.243 1.00 0.00 C ATOM 0 HA PRO A 83 -18.825 9.332 -8.611 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -21.290 8.135 -8.332 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -21.077 9.470 -9.447 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -21.231 6.530 -10.018 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -21.877 7.872 -10.942 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -19.510 6.544 -11.603 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -19.878 8.177 -12.122 1.00 0.00 H new ATOM 1293 N GLN A 84 -18.200 6.304 -8.376 1.00 0.00 N ATOM 1294 CA GLN A 84 -17.827 5.213 -7.428 1.00 0.00 C ATOM 1295 C GLN A 84 -16.632 5.658 -6.583 1.00 0.00 C ATOM 1296 O GLN A 84 -16.107 4.908 -5.795 1.00 0.00 O ATOM 1297 CB GLN A 84 -17.458 3.945 -8.204 1.00 0.00 C ATOM 1298 CG GLN A 84 -18.686 3.428 -8.956 1.00 0.00 C ATOM 1299 CD GLN A 84 -18.323 2.139 -9.696 1.00 0.00 C ATOM 1300 OE1 GLN A 84 -17.107 1.673 -9.614 1.00 0.00 O flip ATOM 1301 NE2 GLN A 84 -19.156 1.548 -10.356 1.00 0.00 N flip ATOM 0 H GLN A 84 -17.884 6.170 -9.336 1.00 0.00 H new ATOM 0 HA GLN A 84 -18.677 5.000 -6.780 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -16.652 4.158 -8.906 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.090 3.181 -7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -19.502 3.242 -8.258 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.036 4.180 -9.663 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -20.107 1.911 -10.421 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -18.904 0.689 -10.845 1.00 0.00 H new ATOM 1310 N LYS A 85 -16.213 6.880 -6.726 1.00 0.00 N ATOM 1311 CA LYS A 85 -15.066 7.376 -5.916 1.00 0.00 C ATOM 1312 C LYS A 85 -15.569 7.805 -4.530 1.00 0.00 C ATOM 1313 O LYS A 85 -14.835 7.800 -3.562 1.00 0.00 O ATOM 1314 CB LYS A 85 -14.426 8.566 -6.633 1.00 0.00 C ATOM 1315 CG LYS A 85 -15.414 9.733 -6.670 1.00 0.00 C ATOM 1316 CD LYS A 85 -14.845 10.851 -7.544 1.00 0.00 C ATOM 1317 CE LYS A 85 -15.681 12.118 -7.361 1.00 0.00 C ATOM 1318 NZ LYS A 85 -17.116 11.748 -7.203 1.00 0.00 N ATOM 0 H LYS A 85 -16.615 7.561 -7.370 1.00 0.00 H new ATOM 0 HA LYS A 85 -14.325 6.586 -5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.513 8.865 -6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -14.143 8.283 -7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -16.373 9.399 -7.065 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -15.596 10.102 -5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.807 11.045 -7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.850 10.547 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.338 12.669 -6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -15.557 12.776 -8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.712 12.577 -7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -17.353 10.985 -7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -17.285 11.423 -6.230 1.00 0.00 H new ATOM 1332 N GLU A 86 -16.819 8.171 -4.435 1.00 0.00 N ATOM 1333 CA GLU A 86 -17.374 8.598 -3.116 1.00 0.00 C ATOM 1334 C GLU A 86 -17.727 7.368 -2.263 1.00 0.00 C ATOM 1335 O GLU A 86 -17.326 7.258 -1.115 1.00 0.00 O ATOM 1336 CB GLU A 86 -18.633 9.434 -3.343 1.00 0.00 C ATOM 1337 CG GLU A 86 -19.121 9.990 -2.004 1.00 0.00 C ATOM 1338 CD GLU A 86 -20.451 10.717 -2.209 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -20.929 10.729 -3.331 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -20.967 11.250 -1.241 1.00 0.00 O ATOM 0 H GLU A 86 -17.480 8.193 -5.212 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.624 9.190 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.421 10.251 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -19.411 8.823 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.244 9.180 -1.285 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.380 10.674 -1.590 1.00 0.00 H new ATOM 1347 N ALA A 87 -18.474 6.440 -2.808 1.00 0.00 N ATOM 1348 CA ALA A 87 -18.854 5.223 -2.029 1.00 0.00 C ATOM 1349 C ALA A 87 -17.618 4.366 -1.786 1.00 0.00 C ATOM 1350 O ALA A 87 -17.533 3.641 -0.812 1.00 0.00 O ATOM 1351 CB ALA A 87 -19.891 4.423 -2.817 1.00 0.00 C ATOM 0 H ALA A 87 -18.837 6.474 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 87 -19.277 5.520 -1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -20.171 3.534 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -20.774 5.039 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -19.468 4.125 -3.776 1.00 0.00 H new ATOM 1357 N LEU A 88 -16.659 4.432 -2.664 1.00 0.00 N ATOM 1358 CA LEU A 88 -15.433 3.612 -2.486 1.00 0.00 C ATOM 1359 C LEU A 88 -14.710 4.079 -1.237 1.00 0.00 C ATOM 1360 O LEU A 88 -13.928 3.358 -0.662 1.00 0.00 O ATOM 1361 CB LEU A 88 -14.487 3.739 -3.686 1.00 0.00 C ATOM 1362 CG LEU A 88 -14.948 2.789 -4.801 1.00 0.00 C ATOM 1363 CD1 LEU A 88 -14.252 3.147 -6.122 1.00 0.00 C ATOM 1364 CD2 LEU A 88 -14.588 1.346 -4.427 1.00 0.00 C ATOM 0 H LEU A 88 -16.672 5.019 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 88 -15.731 2.567 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.478 4.767 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.467 3.498 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.027 2.886 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.586 2.467 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -14.502 4.171 -6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -13.173 3.058 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.916 0.672 -5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.509 1.261 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.084 1.077 -3.494 1.00 0.00 H new ATOM 1376 N ARG A 89 -14.941 5.284 -0.809 1.00 0.00 N ATOM 1377 CA ARG A 89 -14.216 5.732 0.406 1.00 0.00 C ATOM 1378 C ARG A 89 -14.570 4.815 1.578 1.00 0.00 C ATOM 1379 O ARG A 89 -13.726 4.156 2.103 1.00 0.00 O ATOM 1380 CB ARG A 89 -14.659 7.156 0.739 1.00 0.00 C ATOM 1381 CG ARG A 89 -14.164 7.554 2.133 1.00 0.00 C ATOM 1382 CD ARG A 89 -13.986 9.073 2.190 1.00 0.00 C ATOM 1383 NE ARG A 89 -15.313 9.744 2.057 1.00 0.00 N ATOM 1384 CZ ARG A 89 -15.392 11.049 2.106 1.00 0.00 C ATOM 1385 NH1 ARG A 89 -14.311 11.759 2.266 1.00 0.00 N ATOM 1386 NH2 ARG A 89 -16.552 11.640 1.993 1.00 0.00 N ATOM 0 H ARG A 89 -15.579 5.959 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 89 -13.141 5.699 0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -14.267 7.849 -0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.746 7.225 0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.877 7.231 2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.219 7.057 2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.517 9.358 3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.321 9.401 1.391 1.00 0.00 H new ATOM 0 HE ARG A 89 -16.157 9.186 1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.406 11.297 2.353 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.370 12.777 2.304 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -17.398 11.084 1.866 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -16.612 12.658 2.031 1.00 0.00 H new ATOM 1400 N GLU A 90 -15.809 4.758 1.969 1.00 0.00 N ATOM 1401 CA GLU A 90 -16.210 3.866 3.116 1.00 0.00 C ATOM 1402 C GLU A 90 -15.835 2.423 2.773 1.00 0.00 C ATOM 1403 O GLU A 90 -15.605 1.587 3.623 1.00 0.00 O ATOM 1404 CB GLU A 90 -17.710 3.977 3.380 1.00 0.00 C ATOM 1405 CG GLU A 90 -18.075 3.159 4.621 1.00 0.00 C ATOM 1406 CD GLU A 90 -19.590 3.193 4.825 1.00 0.00 C ATOM 1407 OE1 GLU A 90 -20.267 3.766 3.988 1.00 0.00 O ATOM 1408 OE2 GLU A 90 -20.048 2.646 5.815 1.00 0.00 O ATOM 0 H GLU A 90 -16.573 5.288 1.549 1.00 0.00 H new ATOM 0 HA GLU A 90 -15.686 4.176 4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -17.988 5.021 3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -18.269 3.616 2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.736 2.130 4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -17.570 3.563 5.498 1.00 0.00 H new ATOM 1415 N LYS A 91 -15.782 2.173 1.511 1.00 0.00 N ATOM 1416 CA LYS A 91 -15.424 0.814 1.027 1.00 0.00 C ATOM 1417 C LYS A 91 -13.979 0.470 1.432 1.00 0.00 C ATOM 1418 O LYS A 91 -13.695 -0.633 1.852 1.00 0.00 O ATOM 1419 CB LYS A 91 -15.552 0.735 -0.491 1.00 0.00 C ATOM 1420 CG LYS A 91 -15.574 -0.732 -0.928 1.00 0.00 C ATOM 1421 CD LYS A 91 -17.009 -1.263 -0.874 1.00 0.00 C ATOM 1422 CE LYS A 91 -17.634 -1.194 -2.269 1.00 0.00 C ATOM 1423 NZ LYS A 91 -19.020 -1.738 -2.223 1.00 0.00 N ATOM 0 H LYS A 91 -15.972 2.855 0.777 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.110 0.099 1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -16.464 1.236 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -14.718 1.254 -0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.178 -0.827 -1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.931 -1.325 -0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.014 -2.291 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.599 -0.675 -0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.649 -0.163 -2.621 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.032 -1.764 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.443 -1.690 -3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.994 -2.728 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.592 -1.176 -1.560 1.00 0.00 H new ATOM 1437 N PHE A 92 -13.058 1.399 1.343 1.00 0.00 N ATOM 1438 CA PHE A 92 -11.648 1.098 1.735 1.00 0.00 C ATOM 1439 C PHE A 92 -11.301 1.699 3.093 1.00 0.00 C ATOM 1440 O PHE A 92 -10.282 1.393 3.681 1.00 0.00 O ATOM 1441 CB PHE A 92 -10.724 1.703 0.684 1.00 0.00 C ATOM 1442 CG PHE A 92 -10.238 0.621 -0.226 1.00 0.00 C ATOM 1443 CD1 PHE A 92 -9.532 -0.471 0.290 1.00 0.00 C ATOM 1444 CD2 PHE A 92 -10.494 0.718 -1.589 1.00 0.00 C ATOM 1445 CE1 PHE A 92 -9.082 -1.474 -0.566 1.00 0.00 C ATOM 1446 CE2 PHE A 92 -10.052 -0.274 -2.450 1.00 0.00 C ATOM 1447 CZ PHE A 92 -9.342 -1.380 -1.942 1.00 0.00 C ATOM 0 H PHE A 92 -13.223 2.351 1.016 1.00 0.00 H new ATOM 0 HA PHE A 92 -11.528 0.017 1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -11.254 2.465 0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -9.880 2.196 1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.336 -0.536 1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.038 1.567 -1.977 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.536 -2.319 -0.173 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -10.251 -0.199 -3.509 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.998 -2.155 -2.611 1.00 0.00 H new ATOM 1457 N LEU A 93 -12.111 2.589 3.556 1.00 0.00 N ATOM 1458 CA LEU A 93 -11.823 3.273 4.845 1.00 0.00 C ATOM 1459 C LEU A 93 -12.447 2.522 5.998 1.00 0.00 C ATOM 1460 O LEU A 93 -12.499 3.030 7.101 1.00 0.00 O ATOM 1461 CB LEU A 93 -12.374 4.712 4.832 1.00 0.00 C ATOM 1462 CG LEU A 93 -11.246 5.724 4.584 1.00 0.00 C ATOM 1463 CD1 LEU A 93 -10.242 5.664 5.736 1.00 0.00 C ATOM 1464 CD2 LEU A 93 -10.538 5.411 3.260 1.00 0.00 C ATOM 0 H LEU A 93 -12.974 2.881 3.097 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.741 3.299 4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -13.133 4.809 4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.861 4.929 5.783 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.672 6.726 4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.442 6.383 5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.747 5.906 6.671 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.821 4.661 5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.740 6.135 3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.115 4.407 3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -11.255 5.468 2.441 1.00 0.00 H new ATOM 1476 N ASN A 94 -12.914 1.320 5.801 1.00 0.00 N ATOM 1477 CA ASN A 94 -13.504 0.581 6.943 1.00 0.00 C ATOM 1478 C ASN A 94 -12.489 -0.456 7.417 1.00 0.00 C ATOM 1479 O ASN A 94 -11.488 -0.693 6.770 1.00 0.00 O ATOM 1480 CB ASN A 94 -14.771 -0.124 6.478 1.00 0.00 C ATOM 1481 CG ASN A 94 -15.774 -0.177 7.627 1.00 0.00 C ATOM 1482 OD1 ASN A 94 -15.470 -0.660 8.702 1.00 0.00 O ATOM 1483 ND2 ASN A 94 -16.966 0.312 7.443 1.00 0.00 N ATOM 0 H ASN A 94 -12.912 0.826 4.909 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.749 1.265 7.756 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -15.203 0.404 5.628 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -14.535 -1.133 6.140 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -17.648 0.291 8.201 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -17.218 0.716 6.541 1.00 0.00 H new ATOM 1490 N GLU A 95 -12.728 -1.076 8.533 1.00 0.00 N ATOM 1491 CA GLU A 95 -11.760 -2.093 9.023 1.00 0.00 C ATOM 1492 C GLU A 95 -11.924 -3.395 8.235 1.00 0.00 C ATOM 1493 O GLU A 95 -12.987 -3.984 8.197 1.00 0.00 O ATOM 1494 CB GLU A 95 -12.024 -2.373 10.502 1.00 0.00 C ATOM 1495 CG GLU A 95 -11.828 -1.093 11.318 1.00 0.00 C ATOM 1496 CD GLU A 95 -12.049 -1.396 12.800 1.00 0.00 C ATOM 1497 OE1 GLU A 95 -12.512 -2.485 13.100 1.00 0.00 O ATOM 1498 OE2 GLU A 95 -11.753 -0.536 13.613 1.00 0.00 O ATOM 0 H GLU A 95 -13.545 -0.926 9.125 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.747 -1.712 8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -13.039 -2.747 10.635 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.349 -3.150 10.860 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.824 -0.699 11.162 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.526 -0.326 10.984 1.00 0.00 H new ATOM 1505 N HIS A 96 -10.865 -3.851 7.634 1.00 0.00 N ATOM 1506 CA HIS A 96 -10.901 -5.128 6.862 1.00 0.00 C ATOM 1507 C HIS A 96 -9.618 -5.907 7.194 1.00 0.00 C ATOM 1508 O HIS A 96 -8.525 -5.390 7.083 1.00 0.00 O ATOM 1509 CB HIS A 96 -11.001 -4.811 5.363 1.00 0.00 C ATOM 1510 CG HIS A 96 -9.867 -5.449 4.619 1.00 0.00 C ATOM 1511 ND1 HIS A 96 -10.051 -6.556 3.797 1.00 0.00 N ATOM 1512 CD2 HIS A 96 -8.522 -5.171 4.581 1.00 0.00 C ATOM 1513 CE1 HIS A 96 -8.845 -6.908 3.321 1.00 0.00 C ATOM 1514 NE2 HIS A 96 -7.894 -6.098 3.772 1.00 0.00 N ATOM 0 H HIS A 96 -9.957 -3.386 7.643 1.00 0.00 H new ATOM 0 HA HIS A 96 -11.767 -5.734 7.127 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.951 -5.173 4.971 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.983 -3.732 5.211 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -10.938 -7.016 3.593 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.034 -4.359 5.100 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -8.671 -7.742 2.657 1.00 0.00 H new ATOM 1522 N THR A 97 -9.744 -7.125 7.668 1.00 0.00 N ATOM 1523 CA THR A 97 -8.530 -7.905 8.075 1.00 0.00 C ATOM 1524 C THR A 97 -8.571 -9.352 7.574 1.00 0.00 C ATOM 1525 O THR A 97 -9.616 -9.929 7.351 1.00 0.00 O ATOM 1526 CB THR A 97 -8.439 -7.922 9.600 1.00 0.00 C ATOM 1527 OG1 THR A 97 -8.201 -6.599 10.055 1.00 0.00 O ATOM 1528 CG2 THR A 97 -7.293 -8.844 10.035 1.00 0.00 C ATOM 0 H THR A 97 -10.632 -7.612 7.790 1.00 0.00 H new ATOM 0 HA THR A 97 -7.663 -7.419 7.629 1.00 0.00 H new ATOM 0 HB THR A 97 -9.369 -8.294 10.029 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.142 -6.595 11.033 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.228 -8.856 11.123 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.481 -9.854 9.672 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.354 -8.478 9.620 1.00 0.00 H new ATOM 1536 N HIS A 98 -7.414 -9.940 7.441 1.00 0.00 N ATOM 1537 CA HIS A 98 -7.328 -11.364 7.007 1.00 0.00 C ATOM 1538 C HIS A 98 -6.321 -12.118 7.877 1.00 0.00 C ATOM 1539 O HIS A 98 -5.475 -11.534 8.528 1.00 0.00 O ATOM 1540 CB HIS A 98 -6.882 -11.434 5.558 1.00 0.00 C ATOM 1541 CG HIS A 98 -6.216 -10.152 5.184 1.00 0.00 C ATOM 1542 ND1 HIS A 98 -4.915 -9.841 5.562 1.00 0.00 N ATOM 1543 CD2 HIS A 98 -6.663 -9.090 4.458 1.00 0.00 C ATOM 1544 CE1 HIS A 98 -4.629 -8.626 5.057 1.00 0.00 C ATOM 1545 NE2 HIS A 98 -5.662 -8.135 4.378 1.00 0.00 N ATOM 0 H HIS A 98 -6.515 -9.490 7.616 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.312 -11.821 7.111 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.195 -12.269 5.417 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.740 -11.614 4.910 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -4.292 -10.425 6.119 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -7.644 -9.005 4.014 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -3.685 -8.117 5.186 1.00 0.00 H new ATOM 1553 N GLY A 99 -6.407 -13.417 7.892 1.00 0.00 N ATOM 1554 CA GLY A 99 -5.465 -14.220 8.717 1.00 0.00 C ATOM 1555 C GLY A 99 -4.174 -14.444 7.937 1.00 0.00 C ATOM 1556 O GLY A 99 -3.456 -15.394 8.171 1.00 0.00 O ATOM 0 H GLY A 99 -7.092 -13.960 7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.253 -13.703 9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.917 -15.177 8.977 1.00 0.00 H new ATOM 1560 N GLU A 100 -3.841 -13.565 7.039 1.00 0.00 N ATOM 1561 CA GLU A 100 -2.574 -13.717 6.278 1.00 0.00 C ATOM 1562 C GLU A 100 -2.046 -12.318 5.952 1.00 0.00 C ATOM 1563 O GLU A 100 -2.821 -11.384 5.863 1.00 0.00 O ATOM 1564 CB GLU A 100 -2.859 -14.491 4.993 1.00 0.00 C ATOM 1565 CG GLU A 100 -1.552 -14.749 4.255 1.00 0.00 C ATOM 1566 CD GLU A 100 -1.852 -15.478 2.946 1.00 0.00 C ATOM 1567 OE1 GLU A 100 -3.017 -15.746 2.695 1.00 0.00 O ATOM 1568 OE2 GLU A 100 -0.916 -15.756 2.218 1.00 0.00 O ATOM 0 H GLU A 100 -4.395 -12.743 6.798 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.830 -14.263 6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.350 -15.436 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.542 -13.925 4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.042 -13.807 4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.883 -15.347 4.874 1.00 0.00 H new ATOM 1575 N ASP A 101 -0.760 -12.120 5.788 1.00 0.00 N ATOM 1576 CA ASP A 101 -0.268 -10.748 5.493 1.00 0.00 C ATOM 1577 C ASP A 101 -0.742 -10.329 4.104 1.00 0.00 C ATOM 1578 O ASP A 101 -1.615 -10.946 3.530 1.00 0.00 O ATOM 1579 CB ASP A 101 1.263 -10.763 5.521 1.00 0.00 C ATOM 1580 CG ASP A 101 1.771 -11.713 4.437 1.00 0.00 C ATOM 1581 OD1 ASP A 101 0.952 -12.190 3.669 1.00 0.00 O ATOM 1582 OD2 ASP A 101 2.967 -11.946 4.390 1.00 0.00 O ATOM 0 H ASP A 101 -0.042 -12.842 5.846 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.651 -10.046 6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.652 -9.759 5.354 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.619 -11.084 6.500 1.00 0.00 H new ATOM 1587 N GLU A 102 -0.185 -9.287 3.557 1.00 0.00 N ATOM 1588 CA GLU A 102 -0.623 -8.848 2.204 1.00 0.00 C ATOM 1589 C GLU A 102 0.497 -8.061 1.527 1.00 0.00 C ATOM 1590 O GLU A 102 1.407 -7.586 2.175 1.00 0.00 O ATOM 1591 CB GLU A 102 -1.861 -7.965 2.339 1.00 0.00 C ATOM 1592 CG GLU A 102 -1.680 -7.017 3.525 1.00 0.00 C ATOM 1593 CD GLU A 102 -2.953 -6.205 3.714 1.00 0.00 C ATOM 1594 OE1 GLU A 102 -3.825 -6.308 2.865 1.00 0.00 O ATOM 1595 OE2 GLU A 102 -3.035 -5.501 4.702 1.00 0.00 O ATOM 0 H GLU A 102 0.550 -8.723 3.984 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.860 -9.722 1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.016 -7.394 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.748 -8.582 2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.458 -7.584 4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.833 -6.353 3.350 1.00 0.00 H new ATOM 1602 N VAL A 103 0.430 -7.900 0.235 1.00 0.00 N ATOM 1603 CA VAL A 103 1.485 -7.119 -0.468 1.00 0.00 C ATOM 1604 C VAL A 103 0.826 -6.143 -1.443 1.00 0.00 C ATOM 1605 O VAL A 103 0.054 -6.542 -2.293 1.00 0.00 O ATOM 1606 CB VAL A 103 2.389 -8.073 -1.251 1.00 0.00 C ATOM 1607 CG1 VAL A 103 3.627 -7.320 -1.738 1.00 0.00 C ATOM 1608 CG2 VAL A 103 2.815 -9.228 -0.345 1.00 0.00 C ATOM 0 H VAL A 103 -0.307 -8.274 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 103 2.077 -6.569 0.263 1.00 0.00 H new ATOM 0 HB VAL A 103 1.845 -8.467 -2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.271 -8.000 -2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.322 -6.497 -2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.173 -6.925 -0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.459 -9.909 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.359 -8.835 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.931 -9.765 -0.000 1.00 0.00 H new ATOM 1618 N ARG A 104 1.133 -4.873 -1.344 1.00 0.00 N ATOM 1619 CA ARG A 104 0.527 -3.889 -2.290 1.00 0.00 C ATOM 1620 C ARG A 104 1.639 -3.225 -3.100 1.00 0.00 C ATOM 1621 O ARG A 104 2.627 -2.772 -2.557 1.00 0.00 O ATOM 1622 CB ARG A 104 -0.251 -2.808 -1.531 1.00 0.00 C ATOM 1623 CG ARG A 104 -1.220 -3.466 -0.548 1.00 0.00 C ATOM 1624 CD ARG A 104 -2.274 -4.242 -1.336 1.00 0.00 C ATOM 1625 NE ARG A 104 -3.548 -4.281 -0.575 1.00 0.00 N ATOM 1626 CZ ARG A 104 -4.390 -3.293 -0.679 1.00 0.00 C ATOM 1627 NH1 ARG A 104 -4.088 -2.253 -1.410 1.00 0.00 N ATOM 1628 NH2 ARG A 104 -5.531 -3.343 -0.056 1.00 0.00 N ATOM 0 H ARG A 104 1.772 -4.478 -0.654 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.162 -4.418 -2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 104 0.440 -2.157 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.800 -2.181 -2.233 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -0.681 -4.136 0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.697 -2.709 0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -2.434 -3.772 -2.306 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -1.924 -5.256 -1.527 1.00 0.00 H new ATOM 0 HE ARG A 104 -3.763 -5.077 0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.193 -2.215 -1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -4.747 -1.479 -1.492 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.766 -4.156 0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.191 -2.569 -0.137 1.00 0.00 H new ATOM 1642 N PHE A 105 1.487 -3.168 -4.396 1.00 0.00 N ATOM 1643 CA PHE A 105 2.533 -2.538 -5.247 1.00 0.00 C ATOM 1644 C PHE A 105 1.910 -1.422 -6.083 1.00 0.00 C ATOM 1645 O PHE A 105 1.109 -1.666 -6.955 1.00 0.00 O ATOM 1646 CB PHE A 105 3.130 -3.601 -6.170 1.00 0.00 C ATOM 1647 CG PHE A 105 4.003 -2.943 -7.202 1.00 0.00 C ATOM 1648 CD1 PHE A 105 5.076 -2.148 -6.796 1.00 0.00 C ATOM 1649 CD2 PHE A 105 3.739 -3.124 -8.564 1.00 0.00 C ATOM 1650 CE1 PHE A 105 5.884 -1.528 -7.748 1.00 0.00 C ATOM 1651 CE2 PHE A 105 4.550 -2.506 -9.521 1.00 0.00 C ATOM 1652 CZ PHE A 105 5.622 -1.706 -9.115 1.00 0.00 C ATOM 0 H PHE A 105 0.680 -3.532 -4.902 1.00 0.00 H new ATOM 0 HA PHE A 105 3.316 -2.116 -4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.713 -4.315 -5.589 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.333 -4.162 -6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 105 5.280 -2.013 -5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 105 2.909 -3.741 -8.876 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.712 -0.910 -7.433 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.348 -2.647 -10.573 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.248 -1.226 -9.853 1.00 0.00 H new ATOM 1662 N PHE A 106 2.250 -0.192 -5.825 1.00 0.00 N ATOM 1663 CA PHE A 106 1.641 0.917 -6.605 1.00 0.00 C ATOM 1664 C PHE A 106 2.447 1.134 -7.886 1.00 0.00 C ATOM 1665 O PHE A 106 3.528 0.600 -8.043 1.00 0.00 O ATOM 1666 CB PHE A 106 1.658 2.191 -5.757 1.00 0.00 C ATOM 1667 CG PHE A 106 0.741 2.022 -4.571 1.00 0.00 C ATOM 1668 CD1 PHE A 106 1.228 1.385 -3.426 1.00 0.00 C ATOM 1669 CD2 PHE A 106 -0.575 2.500 -4.601 1.00 0.00 C ATOM 1670 CE1 PHE A 106 0.406 1.222 -2.309 1.00 0.00 C ATOM 1671 CE2 PHE A 106 -1.400 2.339 -3.480 1.00 0.00 C ATOM 1672 CZ PHE A 106 -0.908 1.700 -2.332 1.00 0.00 C ATOM 0 H PHE A 106 2.920 0.092 -5.111 1.00 0.00 H new ATOM 0 HA PHE A 106 0.612 0.669 -6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.673 2.401 -5.418 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.340 3.044 -6.357 1.00 0.00 H new ATOM 0 HD1 PHE A 106 2.243 1.018 -3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -0.953 2.991 -5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.785 0.727 -1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -2.415 2.707 -3.500 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.543 1.577 -1.467 1.00 0.00 H new ATOM 1682 N VAL A 107 1.954 1.931 -8.796 1.00 0.00 N ATOM 1683 CA VAL A 107 2.716 2.188 -10.051 1.00 0.00 C ATOM 1684 C VAL A 107 2.559 3.659 -10.445 1.00 0.00 C ATOM 1685 O VAL A 107 3.483 4.283 -10.923 1.00 0.00 O ATOM 1686 CB VAL A 107 2.197 1.288 -11.168 1.00 0.00 C ATOM 1687 CG1 VAL A 107 2.376 -0.169 -10.745 1.00 0.00 C ATOM 1688 CG2 VAL A 107 0.712 1.571 -11.421 1.00 0.00 C ATOM 0 H VAL A 107 1.058 2.414 -8.724 1.00 0.00 H new ATOM 0 HA VAL A 107 3.771 1.969 -9.888 1.00 0.00 H new ATOM 0 HB VAL A 107 2.753 1.483 -12.085 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.009 -0.825 -11.534 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.433 -0.369 -10.569 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.814 -0.354 -9.829 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.349 0.924 -12.220 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.144 1.377 -10.511 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.585 2.614 -11.712 1.00 0.00 H new ATOM 1698 N GLU A 108 1.391 4.217 -10.248 1.00 0.00 N ATOM 1699 CA GLU A 108 1.178 5.646 -10.604 1.00 0.00 C ATOM 1700 C GLU A 108 0.233 6.275 -9.578 1.00 0.00 C ATOM 1701 O GLU A 108 -0.841 5.769 -9.319 1.00 0.00 O ATOM 1702 CB GLU A 108 0.569 5.737 -12.005 1.00 0.00 C ATOM 1703 CG GLU A 108 1.567 5.205 -13.041 1.00 0.00 C ATOM 1704 CD GLU A 108 2.838 6.058 -13.019 1.00 0.00 C ATOM 1705 OE1 GLU A 108 2.766 7.181 -12.551 1.00 0.00 O ATOM 1706 OE2 GLU A 108 3.862 5.570 -13.469 1.00 0.00 O ATOM 0 H GLU A 108 0.578 3.742 -9.856 1.00 0.00 H new ATOM 0 HA GLU A 108 2.128 6.180 -10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.355 5.161 -12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.311 6.771 -12.233 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.812 4.165 -12.824 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.120 5.227 -14.035 1.00 0.00 H new ATOM 1713 N GLY A 109 0.624 7.370 -8.991 1.00 0.00 N ATOM 1714 CA GLY A 109 -0.249 8.028 -7.978 1.00 0.00 C ATOM 1715 C GLY A 109 0.331 7.806 -6.579 1.00 0.00 C ATOM 1716 O GLY A 109 1.189 6.970 -6.375 1.00 0.00 O ATOM 0 H GLY A 109 1.512 7.840 -9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.324 9.095 -8.186 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.258 7.620 -8.033 1.00 0.00 H new ATOM 1720 N ALA A 110 -0.135 8.556 -5.618 1.00 0.00 N ATOM 1721 CA ALA A 110 0.385 8.402 -4.228 1.00 0.00 C ATOM 1722 C ALA A 110 -0.682 7.761 -3.337 1.00 0.00 C ATOM 1723 O ALA A 110 -1.730 8.330 -3.098 1.00 0.00 O ATOM 1724 CB ALA A 110 0.753 9.778 -3.665 1.00 0.00 C ATOM 0 H ALA A 110 -0.854 9.270 -5.735 1.00 0.00 H new ATOM 0 HA ALA A 110 1.268 7.763 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.133 9.666 -2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 110 1.520 10.234 -4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.132 10.415 -3.653 1.00 0.00 H new ATOM 1730 N GLY A 111 -0.412 6.588 -2.829 1.00 0.00 N ATOM 1731 CA GLY A 111 -1.391 5.908 -1.930 1.00 0.00 C ATOM 1732 C GLY A 111 -0.806 5.839 -0.515 1.00 0.00 C ATOM 1733 O GLY A 111 0.228 5.242 -0.293 1.00 0.00 O ATOM 0 H GLY A 111 0.449 6.069 -2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.335 6.453 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.606 4.905 -2.298 1.00 0.00 H new ATOM 1737 N LEU A 112 -1.453 6.447 0.442 1.00 0.00 N ATOM 1738 CA LEU A 112 -0.921 6.410 1.835 1.00 0.00 C ATOM 1739 C LEU A 112 -1.462 5.174 2.551 1.00 0.00 C ATOM 1740 O LEU A 112 -2.649 4.921 2.559 1.00 0.00 O ATOM 1741 CB LEU A 112 -1.373 7.667 2.590 1.00 0.00 C ATOM 1742 CG LEU A 112 -0.158 8.458 3.087 1.00 0.00 C ATOM 1743 CD1 LEU A 112 -0.579 9.898 3.388 1.00 0.00 C ATOM 1744 CD2 LEU A 112 0.390 7.806 4.364 1.00 0.00 C ATOM 0 H LEU A 112 -2.323 6.966 0.321 1.00 0.00 H new ATOM 0 HA LEU A 112 0.168 6.372 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.980 8.293 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.002 7.385 3.435 1.00 0.00 H new ATOM 0 HG LEU A 112 0.616 8.458 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.283 10.463 3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.968 10.360 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.352 9.898 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.254 8.368 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.383 7.806 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.688 6.780 4.149 1.00 0.00 H new ATOM 1756 N PHE A 113 -0.595 4.404 3.150 1.00 0.00 N ATOM 1757 CA PHE A 113 -1.053 3.182 3.868 1.00 0.00 C ATOM 1758 C PHE A 113 -0.850 3.383 5.371 1.00 0.00 C ATOM 1759 O PHE A 113 0.198 3.815 5.811 1.00 0.00 O ATOM 1760 CB PHE A 113 -0.232 1.984 3.392 1.00 0.00 C ATOM 1761 CG PHE A 113 -0.894 0.710 3.846 1.00 0.00 C ATOM 1762 CD1 PHE A 113 -1.993 0.202 3.140 1.00 0.00 C ATOM 1763 CD2 PHE A 113 -0.410 0.034 4.971 1.00 0.00 C ATOM 1764 CE1 PHE A 113 -2.607 -0.982 3.563 1.00 0.00 C ATOM 1765 CE2 PHE A 113 -1.023 -1.151 5.392 1.00 0.00 C ATOM 1766 CZ PHE A 113 -2.121 -1.660 4.689 1.00 0.00 C ATOM 0 H PHE A 113 0.411 4.569 3.173 1.00 0.00 H new ATOM 0 HA PHE A 113 -2.108 3.001 3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.148 1.996 2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.781 2.042 3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.365 0.724 2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 113 0.437 0.427 5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -3.456 -1.373 3.022 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.649 -1.673 6.260 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.594 -2.575 5.014 1.00 0.00 H new ATOM 1776 N CYS A 114 -1.847 3.084 6.160 1.00 0.00 N ATOM 1777 CA CYS A 114 -1.718 3.268 7.634 1.00 0.00 C ATOM 1778 C CYS A 114 -1.771 1.908 8.326 1.00 0.00 C ATOM 1779 O CYS A 114 -2.540 1.043 7.958 1.00 0.00 O ATOM 1780 CB CYS A 114 -2.871 4.133 8.137 1.00 0.00 C ATOM 1781 SG CYS A 114 -3.863 4.694 6.731 1.00 0.00 S ATOM 0 H CYS A 114 -2.747 2.720 5.846 1.00 0.00 H new ATOM 0 HA CYS A 114 -0.768 3.753 7.857 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -3.491 3.564 8.829 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -2.483 4.990 8.687 1.00 0.00 H new ATOM 0 HG CYS A 114 -5.125 4.535 7.000 1.00 0.00 H new ATOM 1787 N LEU A 115 -0.959 1.713 9.327 1.00 0.00 N ATOM 1788 CA LEU A 115 -0.964 0.411 10.046 1.00 0.00 C ATOM 1789 C LEU A 115 -0.896 0.662 11.553 1.00 0.00 C ATOM 1790 O LEU A 115 -0.038 1.375 12.036 1.00 0.00 O ATOM 1791 CB LEU A 115 0.248 -0.415 9.610 1.00 0.00 C ATOM 1792 CG LEU A 115 0.177 -1.809 10.241 1.00 0.00 C ATOM 1793 CD1 LEU A 115 -0.935 -2.631 9.581 1.00 0.00 C ATOM 1794 CD2 LEU A 115 1.518 -2.521 10.048 1.00 0.00 C ATOM 0 H LEU A 115 -0.292 2.400 9.678 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.878 -0.133 9.810 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.272 -0.498 8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.168 0.085 9.912 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.039 -1.708 11.305 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.976 -3.620 10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.891 -2.127 9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.729 -2.732 8.515 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.471 -3.514 10.496 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.731 -2.613 8.983 1.00 0.00 H new ATOM 0 HD23 LEU A 115 2.309 -1.944 10.527 1.00 0.00 H new ATOM 1806 N HIS A 116 -1.787 0.076 12.304 1.00 0.00 N ATOM 1807 CA HIS A 116 -1.760 0.276 13.780 1.00 0.00 C ATOM 1808 C HIS A 116 -0.993 -0.880 14.424 1.00 0.00 C ATOM 1809 O HIS A 116 -1.351 -2.032 14.275 1.00 0.00 O ATOM 1810 CB HIS A 116 -3.192 0.304 14.323 1.00 0.00 C ATOM 1811 CG HIS A 116 -3.276 1.270 15.476 1.00 0.00 C ATOM 1812 ND1 HIS A 116 -2.327 1.299 16.491 1.00 0.00 N ATOM 1813 CD2 HIS A 116 -4.191 2.244 15.790 1.00 0.00 C ATOM 1814 CE1 HIS A 116 -2.691 2.265 17.359 1.00 0.00 C ATOM 1815 NE2 HIS A 116 -3.818 2.867 16.976 1.00 0.00 N ATOM 0 H HIS A 116 -2.531 -0.531 11.960 1.00 0.00 H new ATOM 0 HA HIS A 116 -1.270 1.221 14.013 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -3.885 0.601 13.535 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -3.488 -0.693 14.649 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.066 2.489 15.206 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -2.139 2.519 18.252 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -4.305 3.626 17.453 1.00 0.00 H new ATOM 1824 N ILE A 117 0.062 -0.583 15.140 1.00 0.00 N ATOM 1825 CA ILE A 117 0.850 -1.667 15.794 1.00 0.00 C ATOM 1826 C ILE A 117 0.969 -1.382 17.296 1.00 0.00 C ATOM 1827 O ILE A 117 1.720 -0.527 17.719 1.00 0.00 O ATOM 1828 CB ILE A 117 2.250 -1.716 15.178 1.00 0.00 C ATOM 1829 CG1 ILE A 117 2.132 -1.945 13.669 1.00 0.00 C ATOM 1830 CG2 ILE A 117 3.048 -2.860 15.809 1.00 0.00 C ATOM 1831 CD1 ILE A 117 3.500 -1.747 13.013 1.00 0.00 C ATOM 0 H ILE A 117 0.410 0.363 15.299 1.00 0.00 H new ATOM 0 HA ILE A 117 0.347 -2.622 15.644 1.00 0.00 H new ATOM 0 HB ILE A 117 2.763 -0.773 15.365 1.00 0.00 H new ATOM 0 HG12 ILE A 117 1.765 -2.952 13.471 1.00 0.00 H new ATOM 0 HG13 ILE A 117 1.408 -1.252 13.241 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.045 -2.894 15.369 1.00 0.00 H new ATOM 0 HG22 ILE A 117 3.131 -2.697 16.884 1.00 0.00 H new ATOM 0 HG23 ILE A 117 2.538 -3.805 15.624 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.415 -1.910 11.939 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.849 -0.731 13.199 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.211 -2.458 13.433 1.00 0.00 H new ATOM 1843 N GLY A 118 0.232 -2.097 18.098 1.00 0.00 N ATOM 1844 CA GLY A 118 0.292 -1.878 19.573 1.00 0.00 C ATOM 1845 C GLY A 118 -0.367 -0.540 19.928 1.00 0.00 C ATOM 1846 O GLY A 118 -1.414 -0.201 19.413 1.00 0.00 O ATOM 0 H GLY A 118 -0.413 -2.827 17.796 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -0.215 -2.692 20.091 1.00 0.00 H new ATOM 0 HA3 GLY A 118 1.329 -1.883 19.909 1.00 0.00 H new ATOM 1850 N ASP A 119 0.232 0.221 20.809 1.00 0.00 N ATOM 1851 CA ASP A 119 -0.368 1.531 21.203 1.00 0.00 C ATOM 1852 C ASP A 119 0.252 2.653 20.361 1.00 0.00 C ATOM 1853 O ASP A 119 0.135 3.817 20.680 1.00 0.00 O ATOM 1854 CB ASP A 119 -0.090 1.796 22.684 1.00 0.00 C ATOM 1855 CG ASP A 119 -0.798 0.741 23.536 1.00 0.00 C ATOM 1856 OD1 ASP A 119 -1.635 0.036 22.997 1.00 0.00 O ATOM 1857 OD2 ASP A 119 -0.493 0.657 24.714 1.00 0.00 O ATOM 0 H ASP A 119 1.111 -0.009 21.272 1.00 0.00 H new ATOM 0 HA ASP A 119 -1.444 1.501 21.034 1.00 0.00 H new ATOM 0 HB2 ASP A 119 0.983 1.770 22.873 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -0.438 2.792 22.957 1.00 0.00 H new ATOM 1862 N GLU A 120 0.909 2.306 19.289 1.00 0.00 N ATOM 1863 CA GLU A 120 1.536 3.343 18.416 1.00 0.00 C ATOM 1864 C GLU A 120 0.929 3.257 17.019 1.00 0.00 C ATOM 1865 O GLU A 120 0.484 2.209 16.599 1.00 0.00 O ATOM 1866 CB GLU A 120 3.039 3.094 18.317 1.00 0.00 C ATOM 1867 CG GLU A 120 3.727 3.601 19.581 1.00 0.00 C ATOM 1868 CD GLU A 120 3.299 2.750 20.777 1.00 0.00 C ATOM 1869 OE1 GLU A 120 2.875 1.627 20.558 1.00 0.00 O ATOM 1870 OE2 GLU A 120 3.403 3.234 21.892 1.00 0.00 O ATOM 0 H GLU A 120 1.040 1.344 18.977 1.00 0.00 H new ATOM 0 HA GLU A 120 1.356 4.329 18.843 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.234 2.029 18.187 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.445 3.601 17.442 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.809 3.557 19.460 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.467 4.645 19.754 1.00 0.00 H new ATOM 1877 N VAL A 121 0.912 4.343 16.290 1.00 0.00 N ATOM 1878 CA VAL A 121 0.336 4.317 14.915 1.00 0.00 C ATOM 1879 C VAL A 121 1.438 4.667 13.918 1.00 0.00 C ATOM 1880 O VAL A 121 2.078 5.693 14.031 1.00 0.00 O ATOM 1881 CB VAL A 121 -0.816 5.343 14.846 1.00 0.00 C ATOM 1882 CG1 VAL A 121 -0.443 6.593 14.029 1.00 0.00 C ATOM 1883 CG2 VAL A 121 -2.041 4.690 14.209 1.00 0.00 C ATOM 0 H VAL A 121 1.274 5.248 16.590 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.056 3.330 14.672 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.027 5.660 15.868 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -1.288 7.282 14.012 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.416 7.084 14.486 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.193 6.300 13.009 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.855 5.414 14.160 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.792 4.355 13.202 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.351 3.835 14.810 1.00 0.00 H new ATOM 1893 N PHE A 122 1.693 3.819 12.959 1.00 0.00 N ATOM 1894 CA PHE A 122 2.771 4.108 11.980 1.00 0.00 C ATOM 1895 C PHE A 122 2.149 4.762 10.752 1.00 0.00 C ATOM 1896 O PHE A 122 1.113 4.349 10.277 1.00 0.00 O ATOM 1897 CB PHE A 122 3.449 2.797 11.572 1.00 0.00 C ATOM 1898 CG PHE A 122 4.262 2.254 12.727 1.00 0.00 C ATOM 1899 CD1 PHE A 122 3.637 1.875 13.924 1.00 0.00 C ATOM 1900 CD2 PHE A 122 5.648 2.128 12.596 1.00 0.00 C ATOM 1901 CE1 PHE A 122 4.402 1.375 14.986 1.00 0.00 C ATOM 1902 CE2 PHE A 122 6.411 1.627 13.655 1.00 0.00 C ATOM 1903 CZ PHE A 122 5.789 1.251 14.850 1.00 0.00 C ATOM 0 H PHE A 122 1.199 2.938 12.814 1.00 0.00 H new ATOM 0 HA PHE A 122 3.512 4.774 12.422 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.697 2.067 11.271 1.00 0.00 H new ATOM 0 HB3 PHE A 122 4.094 2.965 10.709 1.00 0.00 H new ATOM 0 HD1 PHE A 122 2.566 1.969 14.027 1.00 0.00 H new ATOM 0 HD2 PHE A 122 6.131 2.418 11.674 1.00 0.00 H new ATOM 0 HE1 PHE A 122 3.921 1.086 15.909 1.00 0.00 H new ATOM 0 HE2 PHE A 122 7.482 1.530 13.550 1.00 0.00 H new ATOM 0 HZ PHE A 122 6.379 0.865 15.668 1.00 0.00 H new ATOM 1913 N GLN A 123 2.803 5.744 10.212 1.00 0.00 N ATOM 1914 CA GLN A 123 2.290 6.411 8.983 1.00 0.00 C ATOM 1915 C GLN A 123 3.370 6.326 7.899 1.00 0.00 C ATOM 1916 O GLN A 123 4.338 7.054 7.940 1.00 0.00 O ATOM 1917 CB GLN A 123 1.989 7.884 9.285 1.00 0.00 C ATOM 1918 CG GLN A 123 1.175 8.483 8.140 1.00 0.00 C ATOM 1919 CD GLN A 123 0.974 9.977 8.392 1.00 0.00 C ATOM 1920 OE1 GLN A 123 1.983 10.696 8.800 1.00 0.00 O flip ATOM 1921 NE2 GLN A 123 -0.111 10.494 8.221 1.00 0.00 N flip ATOM 0 H GLN A 123 3.681 6.120 10.570 1.00 0.00 H new ATOM 0 HA GLN A 123 1.376 5.921 8.646 1.00 0.00 H new ATOM 0 HB2 GLN A 123 1.437 7.969 10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 123 2.919 8.438 9.412 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.690 8.328 7.192 1.00 0.00 H new ATOM 0 HG3 GLN A 123 0.210 7.982 8.063 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -0.900 9.931 7.902 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -0.234 11.491 8.396 1.00 0.00 H new ATOM 1930 N VAL A 124 3.228 5.451 6.941 1.00 0.00 N ATOM 1931 CA VAL A 124 4.276 5.342 5.884 1.00 0.00 C ATOM 1932 C VAL A 124 3.700 5.763 4.537 1.00 0.00 C ATOM 1933 O VAL A 124 2.667 5.283 4.114 1.00 0.00 O ATOM 1934 CB VAL A 124 4.750 3.886 5.790 1.00 0.00 C ATOM 1935 CG1 VAL A 124 3.565 2.993 5.431 1.00 0.00 C ATOM 1936 CG2 VAL A 124 5.823 3.764 4.703 1.00 0.00 C ATOM 0 H VAL A 124 2.439 4.812 6.844 1.00 0.00 H new ATOM 0 HA VAL A 124 5.112 5.992 6.141 1.00 0.00 H new ATOM 0 HB VAL A 124 5.168 3.577 6.748 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.897 1.957 5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.799 3.078 6.201 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.152 3.305 4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 124 6.159 2.729 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.406 4.072 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.669 4.405 4.953 1.00 0.00 H new ATOM 1946 N LEU A 125 4.355 6.664 3.862 1.00 0.00 N ATOM 1947 CA LEU A 125 3.835 7.122 2.546 1.00 0.00 C ATOM 1948 C LEU A 125 4.282 6.125 1.484 1.00 0.00 C ATOM 1949 O LEU A 125 5.384 5.606 1.525 1.00 0.00 O ATOM 1950 CB LEU A 125 4.402 8.508 2.213 1.00 0.00 C ATOM 1951 CG LEU A 125 3.262 9.514 2.034 1.00 0.00 C ATOM 1952 CD1 LEU A 125 3.831 10.934 2.027 1.00 0.00 C ATOM 1953 CD2 LEU A 125 2.544 9.249 0.707 1.00 0.00 C ATOM 0 H LEU A 125 5.225 7.102 4.164 1.00 0.00 H new ATOM 0 HA LEU A 125 2.747 7.185 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.067 8.839 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.998 8.456 1.302 1.00 0.00 H new ATOM 0 HG LEU A 125 2.555 9.407 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.020 11.651 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 125 4.340 11.127 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.539 11.038 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.733 9.967 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.251 9.354 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.137 8.238 0.709 1.00 0.00 H new ATOM 1965 N CYS A 126 3.423 5.850 0.541 1.00 0.00 N ATOM 1966 CA CYS A 126 3.764 4.874 -0.527 1.00 0.00 C ATOM 1967 C CYS A 126 3.856 5.586 -1.876 1.00 0.00 C ATOM 1968 O CYS A 126 2.954 6.293 -2.282 1.00 0.00 O ATOM 1969 CB CYS A 126 2.670 3.799 -0.591 1.00 0.00 C ATOM 1970 SG CYS A 126 1.877 3.649 1.029 1.00 0.00 S ATOM 0 H CYS A 126 2.494 6.264 0.466 1.00 0.00 H new ATOM 0 HA CYS A 126 4.726 4.413 -0.302 1.00 0.00 H new ATOM 0 HB2 CYS A 126 1.930 4.062 -1.347 1.00 0.00 H new ATOM 0 HB3 CYS A 126 3.102 2.843 -0.887 1.00 0.00 H new ATOM 0 HG CYS A 126 0.760 4.314 1.028 1.00 0.00 H new ATOM 1976 N GLU A 127 4.957 5.433 -2.560 1.00 0.00 N ATOM 1977 CA GLU A 127 5.146 6.115 -3.870 1.00 0.00 C ATOM 1978 C GLU A 127 4.611 5.219 -4.985 1.00 0.00 C ATOM 1979 O GLU A 127 3.940 4.236 -4.739 1.00 0.00 O ATOM 1980 CB GLU A 127 6.636 6.396 -4.103 1.00 0.00 C ATOM 1981 CG GLU A 127 7.182 7.305 -2.995 1.00 0.00 C ATOM 1982 CD GLU A 127 8.641 7.659 -3.298 1.00 0.00 C ATOM 1983 OE1 GLU A 127 9.195 7.075 -4.214 1.00 0.00 O ATOM 1984 OE2 GLU A 127 9.181 8.510 -2.608 1.00 0.00 O ATOM 0 H GLU A 127 5.744 4.856 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 127 4.604 7.061 -3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 127 7.192 5.459 -4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 127 6.777 6.870 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.583 8.213 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 127 7.111 6.803 -2.030 1.00 0.00 H new ATOM 1991 N LYS A 128 4.877 5.558 -6.212 1.00 0.00 N ATOM 1992 CA LYS A 128 4.364 4.733 -7.332 1.00 0.00 C ATOM 1993 C LYS A 128 4.930 3.318 -7.248 1.00 0.00 C ATOM 1994 O LYS A 128 4.304 2.418 -6.752 1.00 0.00 O ATOM 1995 CB LYS A 128 4.773 5.376 -8.659 1.00 0.00 C ATOM 1996 CG LYS A 128 5.643 6.605 -8.392 1.00 0.00 C ATOM 1997 CD LYS A 128 5.997 7.269 -9.723 1.00 0.00 C ATOM 1998 CE LYS A 128 6.832 6.308 -10.571 1.00 0.00 C ATOM 1999 NZ LYS A 128 7.647 7.088 -11.543 1.00 0.00 N ATOM 0 H LYS A 128 5.428 6.371 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 128 3.277 4.678 -7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 128 5.320 4.657 -9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 128 3.886 5.663 -9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 128 5.112 7.309 -7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.551 6.315 -7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 128 5.087 7.544 -10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 128 6.553 8.190 -9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.482 5.711 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 128 6.181 5.613 -11.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 8.216 6.437 -12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 7.017 7.639 -12.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 8.278 7.734 -11.027 1.00 0.00 H new ATOM 2013 N ASN A 129 6.095 3.103 -7.749 1.00 0.00 N ATOM 2014 CA ASN A 129 6.660 1.733 -7.710 1.00 0.00 C ATOM 2015 C ASN A 129 7.023 1.334 -6.282 1.00 0.00 C ATOM 2016 O ASN A 129 7.889 0.510 -6.067 1.00 0.00 O ATOM 2017 CB ASN A 129 7.896 1.652 -8.594 1.00 0.00 C ATOM 2018 CG ASN A 129 7.451 1.478 -10.046 1.00 0.00 C ATOM 2019 OD1 ASN A 129 8.043 0.590 -10.793 1.00 0.00 O flip ATOM 2020 ND2 ASN A 129 6.549 2.152 -10.501 1.00 0.00 N flip ATOM 0 H ASN A 129 6.687 3.810 -8.185 1.00 0.00 H new ATOM 0 HA ASN A 129 5.903 1.043 -8.082 1.00 0.00 H new ATOM 0 HB2 ASN A 129 8.496 2.556 -8.489 1.00 0.00 H new ATOM 0 HB3 ASN A 129 8.524 0.815 -8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 129 6.086 2.847 -9.915 1.00 0.00 H new ATOM 0 HD22 ASN A 129 6.254 2.023 -11.469 1.00 0.00 H new ATOM 2027 N ASP A 130 6.394 1.920 -5.300 1.00 0.00 N ATOM 2028 CA ASP A 130 6.744 1.568 -3.896 1.00 0.00 C ATOM 2029 C ASP A 130 6.063 0.247 -3.535 1.00 0.00 C ATOM 2030 O ASP A 130 5.035 -0.105 -4.076 1.00 0.00 O ATOM 2031 CB ASP A 130 6.243 2.669 -2.953 1.00 0.00 C ATOM 2032 CG ASP A 130 7.415 3.526 -2.464 1.00 0.00 C ATOM 2033 OD1 ASP A 130 8.379 3.661 -3.200 1.00 0.00 O ATOM 2034 OD2 ASP A 130 7.323 4.039 -1.359 1.00 0.00 O ATOM 0 H ASP A 130 5.660 2.620 -5.408 1.00 0.00 H new ATOM 0 HA ASP A 130 7.825 1.471 -3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 130 5.516 3.296 -3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 130 5.731 2.222 -2.101 1.00 0.00 H new ATOM 2039 N LEU A 131 6.643 -0.488 -2.628 1.00 0.00 N ATOM 2040 CA LEU A 131 6.056 -1.798 -2.227 1.00 0.00 C ATOM 2041 C LEU A 131 5.940 -1.861 -0.706 1.00 0.00 C ATOM 2042 O LEU A 131 6.843 -1.491 0.010 1.00 0.00 O ATOM 2043 CB LEU A 131 6.955 -2.935 -2.722 1.00 0.00 C ATOM 2044 CG LEU A 131 6.328 -4.296 -2.382 1.00 0.00 C ATOM 2045 CD1 LEU A 131 5.358 -4.719 -3.486 1.00 0.00 C ATOM 2046 CD2 LEU A 131 7.433 -5.346 -2.256 1.00 0.00 C ATOM 0 H LEU A 131 7.505 -0.236 -2.144 1.00 0.00 H new ATOM 0 HA LEU A 131 5.065 -1.902 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 131 7.098 -2.852 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.940 -2.856 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 131 5.785 -4.211 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 131 4.920 -5.685 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 131 4.567 -3.975 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 131 5.895 -4.799 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 131 6.991 -6.313 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 131 7.974 -5.420 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 131 8.123 -5.055 -1.464 1.00 0.00 H new ATOM 2058 N ILE A 132 4.846 -2.359 -0.212 1.00 0.00 N ATOM 2059 CA ILE A 132 4.689 -2.479 1.262 1.00 0.00 C ATOM 2060 C ILE A 132 3.929 -3.765 1.595 1.00 0.00 C ATOM 2061 O ILE A 132 2.984 -4.122 0.926 1.00 0.00 O ATOM 2062 CB ILE A 132 3.918 -1.272 1.783 1.00 0.00 C ATOM 2063 CG1 ILE A 132 3.856 -1.320 3.307 1.00 0.00 C ATOM 2064 CG2 ILE A 132 2.504 -1.307 1.220 1.00 0.00 C ATOM 2065 CD1 ILE A 132 3.957 0.103 3.852 1.00 0.00 C ATOM 0 H ILE A 132 4.053 -2.688 -0.763 1.00 0.00 H new ATOM 0 HA ILE A 132 5.671 -2.514 1.734 1.00 0.00 H new ATOM 0 HB ILE A 132 4.420 -0.356 1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 132 2.924 -1.783 3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.669 -1.932 3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 132 1.945 -0.447 1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 132 2.545 -1.275 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 132 2.009 -2.225 1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 132 3.914 0.080 4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 132 4.901 0.548 3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 132 3.129 0.699 3.469 1.00 0.00 H new ATOM 2077 N SER A 133 4.312 -4.452 2.633 1.00 0.00 N ATOM 2078 CA SER A 133 3.581 -5.698 3.006 1.00 0.00 C ATOM 2079 C SER A 133 3.530 -5.786 4.527 1.00 0.00 C ATOM 2080 O SER A 133 4.550 -5.819 5.176 1.00 0.00 O ATOM 2081 CB SER A 133 4.315 -6.921 2.452 1.00 0.00 C ATOM 2082 OG SER A 133 5.477 -7.171 3.236 1.00 0.00 O ATOM 0 H SER A 133 5.096 -4.208 3.238 1.00 0.00 H new ATOM 0 HA SER A 133 2.573 -5.674 2.591 1.00 0.00 H new ATOM 0 HB2 SER A 133 3.658 -7.791 2.468 1.00 0.00 H new ATOM 0 HB3 SER A 133 4.594 -6.751 1.412 1.00 0.00 H new ATOM 0 HG SER A 133 5.259 -7.067 4.186 1.00 0.00 H new ATOM 2088 N VAL A 134 2.363 -5.815 5.109 1.00 0.00 N ATOM 2089 CA VAL A 134 2.294 -5.869 6.600 1.00 0.00 C ATOM 2090 C VAL A 134 1.872 -7.271 7.060 1.00 0.00 C ATOM 2091 O VAL A 134 1.027 -7.894 6.451 1.00 0.00 O ATOM 2092 CB VAL A 134 1.258 -4.854 7.088 1.00 0.00 C ATOM 2093 CG1 VAL A 134 1.348 -3.576 6.247 1.00 0.00 C ATOM 2094 CG2 VAL A 134 -0.143 -5.457 6.959 1.00 0.00 C ATOM 0 H VAL A 134 1.464 -5.804 4.626 1.00 0.00 H new ATOM 0 HA VAL A 134 3.276 -5.637 7.012 1.00 0.00 H new ATOM 0 HB VAL A 134 1.455 -4.609 8.132 1.00 0.00 H new ATOM 0 HG11 VAL A 134 0.608 -2.856 6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 134 2.345 -3.147 6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 134 1.154 -3.814 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -0.883 -4.736 7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -0.338 -5.704 5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -0.207 -6.362 7.564 1.00 0.00 H new ATOM 2104 N PRO A 135 2.454 -7.770 8.136 1.00 0.00 N ATOM 2105 CA PRO A 135 2.121 -9.120 8.673 1.00 0.00 C ATOM 2106 C PRO A 135 0.615 -9.386 8.694 1.00 0.00 C ATOM 2107 O PRO A 135 -0.181 -8.557 8.301 1.00 0.00 O ATOM 2108 CB PRO A 135 2.665 -9.092 10.101 1.00 0.00 C ATOM 2109 CG PRO A 135 3.788 -8.112 10.082 1.00 0.00 C ATOM 2110 CD PRO A 135 3.494 -7.112 8.956 1.00 0.00 C ATOM 0 HA PRO A 135 2.548 -9.910 8.054 1.00 0.00 H new ATOM 0 HB2 PRO A 135 1.893 -8.790 10.809 1.00 0.00 H new ATOM 0 HB3 PRO A 135 3.011 -10.079 10.408 1.00 0.00 H new ATOM 0 HG2 PRO A 135 3.869 -7.600 11.041 1.00 0.00 H new ATOM 0 HG3 PRO A 135 4.738 -8.618 9.910 1.00 0.00 H new ATOM 0 HD2 PRO A 135 3.142 -6.160 9.353 1.00 0.00 H new ATOM 0 HD3 PRO A 135 4.388 -6.902 8.369 1.00 0.00 H new ATOM 2118 N ALA A 136 0.224 -10.542 9.152 1.00 0.00 N ATOM 2119 CA ALA A 136 -1.225 -10.875 9.210 1.00 0.00 C ATOM 2120 C ALA A 136 -1.762 -10.556 10.605 1.00 0.00 C ATOM 2121 O ALA A 136 -1.022 -10.193 11.496 1.00 0.00 O ATOM 2122 CB ALA A 136 -1.418 -12.364 8.926 1.00 0.00 C ATOM 0 H ALA A 136 0.849 -11.274 9.490 1.00 0.00 H new ATOM 0 HA ALA A 136 -1.762 -10.288 8.465 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -2.480 -12.608 8.969 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -1.031 -12.598 7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -0.881 -12.949 9.672 1.00 0.00 H new ATOM 2128 N HIS A 137 -3.046 -10.679 10.792 1.00 0.00 N ATOM 2129 CA HIS A 137 -3.657 -10.381 12.122 1.00 0.00 C ATOM 2130 C HIS A 137 -3.452 -8.914 12.469 1.00 0.00 C ATOM 2131 O HIS A 137 -3.715 -8.487 13.575 1.00 0.00 O ATOM 2132 CB HIS A 137 -3.042 -11.265 13.209 1.00 0.00 C ATOM 2133 CG HIS A 137 -3.185 -12.703 12.807 1.00 0.00 C ATOM 2134 ND1 HIS A 137 -4.377 -13.203 12.308 1.00 0.00 N ATOM 2135 CD2 HIS A 137 -2.311 -13.762 12.828 1.00 0.00 C ATOM 2136 CE1 HIS A 137 -4.195 -14.508 12.051 1.00 0.00 C ATOM 2137 NE2 HIS A 137 -2.955 -14.900 12.351 1.00 0.00 N ATOM 0 H HIS A 137 -3.707 -10.976 10.074 1.00 0.00 H new ATOM 0 HA HIS A 137 -4.725 -10.592 12.068 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -1.990 -11.015 13.347 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -3.539 -11.089 14.163 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -1.285 -13.719 13.162 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -4.958 -15.160 11.651 1.00 0.00 H new ATOM 0 HE2 HIS A 137 -2.562 -15.836 12.252 1.00 0.00 H new ATOM 2146 N THR A 138 -3.010 -8.134 11.525 1.00 0.00 N ATOM 2147 CA THR A 138 -2.824 -6.686 11.800 1.00 0.00 C ATOM 2148 C THR A 138 -3.889 -5.887 11.020 1.00 0.00 C ATOM 2149 O THR A 138 -3.829 -5.803 9.809 1.00 0.00 O ATOM 2150 CB THR A 138 -1.422 -6.257 11.358 1.00 0.00 C ATOM 2151 OG1 THR A 138 -0.509 -7.321 11.590 1.00 0.00 O ATOM 2152 CG2 THR A 138 -0.986 -5.030 12.165 1.00 0.00 C ATOM 0 H THR A 138 -2.771 -8.435 10.580 1.00 0.00 H new ATOM 0 HA THR A 138 -2.933 -6.493 12.867 1.00 0.00 H new ATOM 0 HB THR A 138 -1.435 -6.010 10.296 1.00 0.00 H new ATOM 0 HG1 THR A 138 0.389 -7.049 11.306 1.00 0.00 H new ATOM 0 HG21 THR A 138 0.012 -4.724 11.851 1.00 0.00 H new ATOM 0 HG22 THR A 138 -1.687 -4.213 11.993 1.00 0.00 H new ATOM 0 HG23 THR A 138 -0.972 -5.279 13.226 1.00 0.00 H new ATOM 2160 N PRO A 139 -4.840 -5.267 11.699 1.00 0.00 N ATOM 2161 CA PRO A 139 -5.894 -4.433 11.022 1.00 0.00 C ATOM 2162 C PRO A 139 -5.270 -3.248 10.280 1.00 0.00 C ATOM 2163 O PRO A 139 -4.446 -2.531 10.811 1.00 0.00 O ATOM 2164 CB PRO A 139 -6.746 -3.904 12.182 1.00 0.00 C ATOM 2165 CG PRO A 139 -6.490 -4.825 13.325 1.00 0.00 C ATOM 2166 CD PRO A 139 -5.059 -5.329 13.157 1.00 0.00 C ATOM 0 HA PRO A 139 -6.457 -5.008 10.287 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -6.470 -2.880 12.435 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -7.803 -3.893 11.918 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -6.611 -4.307 14.276 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -7.197 -5.654 13.322 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -4.348 -4.704 13.697 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -4.944 -6.344 13.537 1.00 0.00 H new ATOM 2174 N HIS A 140 -5.692 -3.018 9.067 1.00 0.00 N ATOM 2175 CA HIS A 140 -5.165 -1.864 8.286 1.00 0.00 C ATOM 2176 C HIS A 140 -6.309 -1.191 7.517 1.00 0.00 C ATOM 2177 O HIS A 140 -7.349 -1.782 7.304 1.00 0.00 O ATOM 2178 CB HIS A 140 -4.110 -2.369 7.312 1.00 0.00 C ATOM 2179 CG HIS A 140 -4.623 -3.601 6.633 1.00 0.00 C ATOM 2180 ND1 HIS A 140 -4.937 -4.764 7.335 1.00 0.00 N ATOM 2181 CD2 HIS A 140 -4.861 -3.882 5.314 1.00 0.00 C ATOM 2182 CE1 HIS A 140 -5.336 -5.684 6.436 1.00 0.00 C ATOM 2183 NE2 HIS A 140 -5.304 -5.188 5.202 1.00 0.00 N ATOM 0 H HIS A 140 -6.385 -3.585 8.580 1.00 0.00 H new ATOM 0 HA HIS A 140 -4.720 -1.133 8.961 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -3.880 -1.600 6.574 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -3.183 -2.589 7.842 1.00 0.00 H new ATOM 0 HD1 HIS A 140 -4.876 -4.894 8.345 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -4.725 -3.194 4.493 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -5.641 -6.690 6.684 1.00 0.00 H new ATOM 2191 N TRP A 141 -6.112 0.010 7.051 1.00 0.00 N ATOM 2192 CA TRP A 141 -7.173 0.686 6.244 1.00 0.00 C ATOM 2193 C TRP A 141 -6.490 1.622 5.232 1.00 0.00 C ATOM 2194 O TRP A 141 -5.398 2.098 5.469 1.00 0.00 O ATOM 2195 CB TRP A 141 -8.095 1.502 7.153 1.00 0.00 C ATOM 2196 CG TRP A 141 -7.304 2.538 7.872 1.00 0.00 C ATOM 2197 CD1 TRP A 141 -7.121 3.808 7.446 1.00 0.00 C ATOM 2198 CD2 TRP A 141 -6.591 2.418 9.132 1.00 0.00 C ATOM 2199 NE1 TRP A 141 -6.344 4.480 8.369 1.00 0.00 N ATOM 2200 CE2 TRP A 141 -5.990 3.663 9.431 1.00 0.00 C ATOM 2201 CE3 TRP A 141 -6.414 1.357 10.035 1.00 0.00 C ATOM 2202 CZ2 TRP A 141 -5.236 3.846 10.595 1.00 0.00 C ATOM 2203 CZ3 TRP A 141 -5.657 1.535 11.202 1.00 0.00 C ATOM 2204 CH2 TRP A 141 -5.069 2.776 11.483 1.00 0.00 C ATOM 0 H TRP A 141 -5.262 0.556 7.193 1.00 0.00 H new ATOM 0 HA TRP A 141 -7.772 -0.063 5.727 1.00 0.00 H new ATOM 0 HB2 TRP A 141 -8.879 1.975 6.561 1.00 0.00 H new ATOM 0 HB3 TRP A 141 -8.589 0.846 7.870 1.00 0.00 H new ATOM 0 HD1 TRP A 141 -7.517 4.228 6.533 1.00 0.00 H new ATOM 0 HE1 TRP A 141 -6.065 5.457 8.280 1.00 0.00 H new ATOM 0 HE3 TRP A 141 -6.864 0.397 9.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 -4.786 4.805 10.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 -5.526 0.711 11.888 1.00 0.00 H new ATOM 0 HH2 TRP A 141 -4.488 2.907 12.384 1.00 0.00 H new ATOM 2215 N PHE A 142 -7.094 1.870 4.099 1.00 0.00 N ATOM 2216 CA PHE A 142 -6.432 2.754 3.089 1.00 0.00 C ATOM 2217 C PHE A 142 -6.823 4.201 3.375 1.00 0.00 C ATOM 2218 O PHE A 142 -7.937 4.490 3.743 1.00 0.00 O ATOM 2219 CB PHE A 142 -6.916 2.379 1.681 1.00 0.00 C ATOM 2220 CG PHE A 142 -5.814 1.692 0.904 1.00 0.00 C ATOM 2221 CD1 PHE A 142 -5.417 0.400 1.265 1.00 0.00 C ATOM 2222 CD2 PHE A 142 -5.207 2.327 -0.195 1.00 0.00 C ATOM 2223 CE1 PHE A 142 -4.420 -0.257 0.540 1.00 0.00 C ATOM 2224 CE2 PHE A 142 -4.205 1.665 -0.913 1.00 0.00 C ATOM 2225 CZ PHE A 142 -3.811 0.376 -0.548 1.00 0.00 C ATOM 0 H PHE A 142 -8.007 1.504 3.829 1.00 0.00 H new ATOM 0 HA PHE A 142 -5.350 2.633 3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -7.783 1.722 1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.238 3.275 1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -5.883 -0.091 2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -5.513 3.322 -0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -4.119 -1.256 0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -3.734 2.153 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 142 -3.037 -0.131 -1.105 1.00 0.00 H new ATOM 2235 N ASP A 143 -5.912 5.114 3.222 1.00 0.00 N ATOM 2236 CA ASP A 143 -6.245 6.533 3.504 1.00 0.00 C ATOM 2237 C ASP A 143 -6.681 7.200 2.208 1.00 0.00 C ATOM 2238 O ASP A 143 -5.926 7.301 1.262 1.00 0.00 O ATOM 2239 CB ASP A 143 -5.011 7.238 4.063 1.00 0.00 C ATOM 2240 CG ASP A 143 -5.369 8.668 4.469 1.00 0.00 C ATOM 2241 OD1 ASP A 143 -5.843 8.847 5.580 1.00 0.00 O ATOM 2242 OD2 ASP A 143 -5.157 9.562 3.667 1.00 0.00 O ATOM 0 H ASP A 143 -4.955 4.941 2.915 1.00 0.00 H new ATOM 0 HA ASP A 143 -7.051 6.593 4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -4.628 6.691 4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -4.218 7.251 3.315 1.00 0.00 H new ATOM 2247 N MET A 144 -7.902 7.641 2.149 1.00 0.00 N ATOM 2248 CA MET A 144 -8.382 8.281 0.902 1.00 0.00 C ATOM 2249 C MET A 144 -7.756 9.654 0.742 1.00 0.00 C ATOM 2250 O MET A 144 -7.714 10.159 -0.354 1.00 0.00 O ATOM 2251 CB MET A 144 -9.896 8.423 0.926 1.00 0.00 C ATOM 2252 CG MET A 144 -10.521 7.109 0.467 1.00 0.00 C ATOM 2253 SD MET A 144 -10.573 7.053 -1.345 1.00 0.00 S ATOM 2254 CE MET A 144 -10.186 5.290 -1.541 1.00 0.00 C ATOM 0 H MET A 144 -8.584 7.586 2.906 1.00 0.00 H new ATOM 0 HA MET A 144 -8.093 7.649 0.062 1.00 0.00 H new ATOM 0 HB2 MET A 144 -10.236 8.671 1.931 1.00 0.00 H new ATOM 0 HB3 MET A 144 -10.209 9.238 0.273 1.00 0.00 H new ATOM 0 HG2 MET A 144 -9.943 6.268 0.849 1.00 0.00 H new ATOM 0 HG3 MET A 144 -11.529 7.014 0.872 1.00 0.00 H new ATOM 0 HE1 MET A 144 -10.554 4.942 -2.506 1.00 0.00 H new ATOM 0 HE2 MET A 144 -9.107 5.147 -1.491 1.00 0.00 H new ATOM 0 HE3 MET A 144 -10.665 4.722 -0.744 1.00 0.00 H new ATOM 2264 N GLY A 145 -7.297 10.250 1.828 1.00 0.00 N ATOM 2265 CA GLY A 145 -6.669 11.620 1.774 1.00 0.00 C ATOM 2266 C GLY A 145 -6.631 12.096 0.336 1.00 0.00 C ATOM 2267 O GLY A 145 -7.289 13.046 -0.041 1.00 0.00 O ATOM 0 H GLY A 145 -7.332 9.839 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -7.240 12.319 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -5.660 11.587 2.185 1.00 0.00 H new ATOM 2271 N SER A 146 -5.901 11.400 -0.483 1.00 0.00 N ATOM 2272 CA SER A 146 -5.860 11.769 -1.913 1.00 0.00 C ATOM 2273 C SER A 146 -7.084 11.164 -2.617 1.00 0.00 C ATOM 2274 O SER A 146 -7.212 9.962 -2.743 1.00 0.00 O ATOM 2275 CB SER A 146 -4.594 11.202 -2.553 1.00 0.00 C ATOM 2276 OG SER A 146 -4.759 9.804 -2.766 1.00 0.00 O ATOM 0 H SER A 146 -5.333 10.594 -0.222 1.00 0.00 H new ATOM 0 HA SER A 146 -5.864 12.855 -2.010 1.00 0.00 H new ATOM 0 HB2 SER A 146 -4.395 11.705 -3.500 1.00 0.00 H new ATOM 0 HB3 SER A 146 -3.734 11.384 -1.908 1.00 0.00 H new ATOM 0 HG SER A 146 -5.591 9.505 -2.343 1.00 0.00 H new ATOM 2282 N GLU A 147 -7.967 12.001 -3.100 1.00 0.00 N ATOM 2283 CA GLU A 147 -9.171 11.506 -3.826 1.00 0.00 C ATOM 2284 C GLU A 147 -8.834 11.293 -5.312 1.00 0.00 C ATOM 2285 O GLU A 147 -9.432 10.456 -5.963 1.00 0.00 O ATOM 2286 CB GLU A 147 -10.294 12.542 -3.721 1.00 0.00 C ATOM 2287 CG GLU A 147 -11.140 12.264 -2.479 1.00 0.00 C ATOM 2288 CD GLU A 147 -10.275 12.435 -1.231 1.00 0.00 C ATOM 2289 OE1 GLU A 147 -9.377 13.262 -1.267 1.00 0.00 O ATOM 2290 OE2 GLU A 147 -10.522 11.739 -0.261 1.00 0.00 O ATOM 0 H GLU A 147 -7.902 13.016 -3.020 1.00 0.00 H new ATOM 0 HA GLU A 147 -9.489 10.563 -3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -9.872 13.545 -3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -10.919 12.506 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -11.989 12.946 -2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -11.545 11.253 -2.519 1.00 0.00 H new ATOM 2297 N PRO A 148 -7.885 12.031 -5.859 1.00 0.00 N ATOM 2298 CA PRO A 148 -7.492 11.884 -7.286 1.00 0.00 C ATOM 2299 C PRO A 148 -7.346 10.422 -7.712 1.00 0.00 C ATOM 2300 O PRO A 148 -7.470 9.508 -6.921 1.00 0.00 O ATOM 2301 CB PRO A 148 -6.155 12.617 -7.378 1.00 0.00 C ATOM 2302 CG PRO A 148 -6.235 13.678 -6.340 1.00 0.00 C ATOM 2303 CD PRO A 148 -7.084 13.100 -5.205 1.00 0.00 C ATOM 0 HA PRO A 148 -8.252 12.290 -7.954 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.320 11.942 -7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -6.005 13.044 -8.370 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.241 13.950 -5.984 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -6.688 14.584 -6.743 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -6.461 12.699 -4.406 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -7.724 13.861 -4.759 1.00 0.00 H new ATOM 2311 N ASN A 149 -7.121 10.219 -8.975 1.00 0.00 N ATOM 2312 CA ASN A 149 -7.000 8.839 -9.502 1.00 0.00 C ATOM 2313 C ASN A 149 -5.660 8.261 -9.052 1.00 0.00 C ATOM 2314 O ASN A 149 -4.617 8.862 -9.210 1.00 0.00 O ATOM 2315 CB ASN A 149 -7.067 8.865 -11.033 1.00 0.00 C ATOM 2316 CG ASN A 149 -5.746 9.405 -11.585 1.00 0.00 C ATOM 2317 OD1 ASN A 149 -5.124 10.250 -10.975 1.00 0.00 O ATOM 2318 ND2 ASN A 149 -5.283 8.948 -12.718 1.00 0.00 N ATOM 0 H ASN A 149 -7.015 10.957 -9.671 1.00 0.00 H new ATOM 0 HA ASN A 149 -7.815 8.222 -9.124 1.00 0.00 H new ATOM 0 HB2 ASN A 149 -7.253 7.862 -11.418 1.00 0.00 H new ATOM 0 HB3 ASN A 149 -7.896 9.492 -11.362 1.00 0.00 H new ATOM 0 HD21 ASN A 149 -4.401 9.301 -13.088 1.00 0.00 H new ATOM 0 HD22 ASN A 149 -5.804 8.238 -13.232 1.00 0.00 H new ATOM 2325 N PHE A 150 -5.703 7.100 -8.453 1.00 0.00 N ATOM 2326 CA PHE A 150 -4.456 6.458 -7.938 1.00 0.00 C ATOM 2327 C PHE A 150 -4.422 4.993 -8.372 1.00 0.00 C ATOM 2328 O PHE A 150 -5.393 4.274 -8.256 1.00 0.00 O ATOM 2329 CB PHE A 150 -4.436 6.541 -6.396 1.00 0.00 C ATOM 2330 CG PHE A 150 -5.186 5.358 -5.780 1.00 0.00 C ATOM 2331 CD1 PHE A 150 -6.531 5.101 -6.118 1.00 0.00 C ATOM 2332 CD2 PHE A 150 -4.522 4.491 -4.891 1.00 0.00 C ATOM 2333 CE1 PHE A 150 -7.196 3.989 -5.566 1.00 0.00 C ATOM 2334 CE2 PHE A 150 -5.193 3.382 -4.357 1.00 0.00 C ATOM 2335 CZ PHE A 150 -6.521 3.134 -4.693 1.00 0.00 C ATOM 0 H PHE A 150 -6.556 6.564 -8.297 1.00 0.00 H new ATOM 0 HA PHE A 150 -3.585 6.976 -8.341 1.00 0.00 H new ATOM 0 HB2 PHE A 150 -3.406 6.549 -6.041 1.00 0.00 H new ATOM 0 HB3 PHE A 150 -4.893 7.476 -6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 150 -7.051 5.757 -6.800 1.00 0.00 H new ATOM 0 HD2 PHE A 150 -3.494 4.681 -4.620 1.00 0.00 H new ATOM 0 HE1 PHE A 150 -8.229 3.798 -5.818 1.00 0.00 H new ATOM 0 HE2 PHE A 150 -4.677 2.716 -3.681 1.00 0.00 H new ATOM 0 HZ PHE A 150 -7.031 2.277 -4.277 1.00 0.00 H new ATOM 2345 N THR A 151 -3.300 4.556 -8.878 1.00 0.00 N ATOM 2346 CA THR A 151 -3.184 3.142 -9.329 1.00 0.00 C ATOM 2347 C THR A 151 -2.540 2.307 -8.217 1.00 0.00 C ATOM 2348 O THR A 151 -1.495 2.646 -7.699 1.00 0.00 O ATOM 2349 CB THR A 151 -2.325 3.077 -10.596 1.00 0.00 C ATOM 2350 OG1 THR A 151 -2.797 4.031 -11.538 1.00 0.00 O ATOM 2351 CG2 THR A 151 -2.424 1.677 -11.202 1.00 0.00 C ATOM 0 H THR A 151 -2.458 5.119 -8.998 1.00 0.00 H new ATOM 0 HA THR A 151 -4.174 2.744 -9.550 1.00 0.00 H new ATOM 0 HB THR A 151 -1.287 3.296 -10.344 1.00 0.00 H new ATOM 0 HG1 THR A 151 -2.247 3.991 -12.348 1.00 0.00 H new ATOM 0 HG21 THR A 151 -1.814 1.627 -12.104 1.00 0.00 H new ATOM 0 HG22 THR A 151 -2.066 0.942 -10.481 1.00 0.00 H new ATOM 0 HG23 THR A 151 -3.462 1.462 -11.454 1.00 0.00 H new ATOM 2359 N ALA A 152 -3.163 1.217 -7.850 1.00 0.00 N ATOM 2360 CA ALA A 152 -2.602 0.347 -6.773 1.00 0.00 C ATOM 2361 C ALA A 152 -2.684 -1.122 -7.189 1.00 0.00 C ATOM 2362 O ALA A 152 -3.511 -1.506 -7.990 1.00 0.00 O ATOM 2363 CB ALA A 152 -3.354 0.534 -5.459 1.00 0.00 C ATOM 0 H ALA A 152 -4.041 0.890 -8.252 1.00 0.00 H new ATOM 0 HA ALA A 152 -1.561 0.636 -6.624 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -2.921 -0.113 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -3.276 1.573 -5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -4.403 0.276 -5.600 1.00 0.00 H new ATOM 2369 N ILE A 153 -1.845 -1.938 -6.621 1.00 0.00 N ATOM 2370 CA ILE A 153 -1.879 -3.393 -6.947 1.00 0.00 C ATOM 2371 C ILE A 153 -2.106 -4.184 -5.662 1.00 0.00 C ATOM 2372 O ILE A 153 -1.425 -3.988 -4.688 1.00 0.00 O ATOM 2373 CB ILE A 153 -0.554 -3.805 -7.572 1.00 0.00 C ATOM 2374 CG1 ILE A 153 -0.224 -2.881 -8.748 1.00 0.00 C ATOM 2375 CG2 ILE A 153 -0.641 -5.248 -8.066 1.00 0.00 C ATOM 2376 CD1 ILE A 153 -0.922 -3.381 -10.016 1.00 0.00 C ATOM 0 H ILE A 153 -1.134 -1.662 -5.943 1.00 0.00 H new ATOM 0 HA ILE A 153 -2.686 -3.595 -7.651 1.00 0.00 H new ATOM 0 HB ILE A 153 0.232 -3.727 -6.821 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -0.544 -1.864 -8.523 1.00 0.00 H new ATOM 0 HG13 ILE A 153 0.854 -2.848 -8.905 1.00 0.00 H new ATOM 0 HG21 ILE A 153 0.310 -5.538 -8.513 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -0.864 -5.907 -7.227 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -1.432 -5.330 -8.812 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -0.683 -2.719 -10.848 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -0.580 -4.390 -10.245 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -2.000 -3.390 -9.858 1.00 0.00 H new ATOM 2388 N ARG A 154 -3.072 -5.060 -5.648 1.00 0.00 N ATOM 2389 CA ARG A 154 -3.341 -5.848 -4.412 1.00 0.00 C ATOM 2390 C ARG A 154 -3.134 -7.334 -4.699 1.00 0.00 C ATOM 2391 O ARG A 154 -3.848 -7.937 -5.475 1.00 0.00 O ATOM 2392 CB ARG A 154 -4.778 -5.592 -3.959 1.00 0.00 C ATOM 2393 CG ARG A 154 -5.664 -5.393 -5.189 1.00 0.00 C ATOM 2394 CD ARG A 154 -7.133 -5.299 -4.768 1.00 0.00 C ATOM 2395 NE ARG A 154 -7.898 -4.565 -5.818 1.00 0.00 N ATOM 2396 CZ ARG A 154 -9.193 -4.431 -5.711 1.00 0.00 C ATOM 2397 NH1 ARG A 154 -9.820 -4.944 -4.689 1.00 0.00 N ATOM 2398 NH2 ARG A 154 -9.860 -3.784 -6.629 1.00 0.00 N ATOM 0 H ARG A 154 -3.686 -5.264 -6.437 1.00 0.00 H new ATOM 0 HA ARG A 154 -2.656 -5.544 -3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -5.141 -6.432 -3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -4.819 -4.710 -3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -5.370 -4.485 -5.716 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -5.529 -6.223 -5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -7.549 -6.297 -4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -7.217 -4.783 -3.812 1.00 0.00 H new ATOM 0 HE ARG A 154 -7.409 -4.167 -6.620 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -9.299 -5.450 -3.973 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -10.831 -4.839 -4.606 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -9.370 -3.384 -7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -10.871 -3.679 -6.546 1.00 0.00 H new ATOM 2412 N ILE A 155 -2.146 -7.921 -4.080 1.00 0.00 N ATOM 2413 CA ILE A 155 -1.865 -9.364 -4.309 1.00 0.00 C ATOM 2414 C ILE A 155 -1.888 -10.111 -2.978 1.00 0.00 C ATOM 2415 O ILE A 155 -1.325 -9.666 -1.997 1.00 0.00 O ATOM 2416 CB ILE A 155 -0.484 -9.513 -4.942 1.00 0.00 C ATOM 2417 CG1 ILE A 155 -0.401 -8.652 -6.200 1.00 0.00 C ATOM 2418 CG2 ILE A 155 -0.265 -10.972 -5.323 1.00 0.00 C ATOM 2419 CD1 ILE A 155 1.066 -8.345 -6.515 1.00 0.00 C ATOM 0 H ILE A 155 -1.519 -7.459 -3.422 1.00 0.00 H new ATOM 0 HA ILE A 155 -2.625 -9.779 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 155 0.278 -9.194 -4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -0.863 -9.171 -7.040 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -0.955 -7.724 -6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 155 0.720 -11.086 -5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -0.328 -11.595 -4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -1.030 -11.281 -6.036 1.00 0.00 H new ATOM 0 HD11 ILE A 155 1.124 -7.730 -7.413 1.00 0.00 H new ATOM 0 HD12 ILE A 155 1.513 -7.808 -5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 155 1.606 -9.278 -6.678 1.00 0.00 H new ATOM 2431 N PHE A 156 -2.520 -11.249 -2.934 1.00 0.00 N ATOM 2432 CA PHE A 156 -2.560 -12.021 -1.665 1.00 0.00 C ATOM 2433 C PHE A 156 -3.209 -13.384 -1.913 1.00 0.00 C ATOM 2434 O PHE A 156 -3.727 -13.650 -2.979 1.00 0.00 O ATOM 2435 CB PHE A 156 -3.371 -11.241 -0.627 1.00 0.00 C ATOM 2436 CG PHE A 156 -4.802 -11.124 -1.099 1.00 0.00 C ATOM 2437 CD1 PHE A 156 -5.129 -10.241 -2.138 1.00 0.00 C ATOM 2438 CD2 PHE A 156 -5.800 -11.907 -0.506 1.00 0.00 C ATOM 2439 CE1 PHE A 156 -6.454 -10.140 -2.580 1.00 0.00 C ATOM 2440 CE2 PHE A 156 -7.124 -11.806 -0.950 1.00 0.00 C ATOM 2441 CZ PHE A 156 -7.451 -10.924 -1.986 1.00 0.00 C ATOM 0 H PHE A 156 -3.009 -11.676 -3.720 1.00 0.00 H new ATOM 0 HA PHE A 156 -1.546 -12.172 -1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 156 -3.334 -11.748 0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 156 -2.941 -10.250 -0.482 1.00 0.00 H new ATOM 0 HD1 PHE A 156 -4.359 -9.639 -2.597 1.00 0.00 H new ATOM 0 HD2 PHE A 156 -5.549 -12.588 0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 156 -6.707 -9.458 -3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 156 -7.894 -12.410 -0.492 1.00 0.00 H new ATOM 0 HZ PHE A 156 -8.473 -10.848 -2.328 1.00 0.00 H new TER 2451 PHE A 156 HETATM 2452 FE FE2 A 180 -5.765 -6.218 3.341 1.00 0.00 FE HETATM 2453 O HOH A 181 -6.214 -7.152 1.633 1.00 0.00 O HETATM 2456 O HOH A 182 -5.896 -4.450 2.421 1.00 0.00 O