USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 900 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 GLN : amide:sc= -19.4! C(o=-23!,f=-38!) USER MOD Set 1.3: A 104 LYS NZ :NH3+ 135:sc= -3.17! (180deg=-5.27!) USER MOD Set 2.1: A 81 ASN : amide:sc= -6.33! C(o=-11!,f=-12!) USER MOD Set 2.2: A 84 THR OG1 : rot 177:sc= -4.84! USER MOD Set 3.1: A 62 LYS NZ :NH3+ -166:sc= -0.45 (180deg=-2.36) USER MOD Set 3.2: A 78 HIS :FLIP no HD1:sc= -17.3! C(o=-23!,f=-17!) USER MOD Set 3.3: A 80 SER OG : rot 161:sc= 1.11 USER MOD Set 4.1: A 66 GLN :FLIP amide:sc= -1.31 F(o=-6.9,f=-5.3) USER MOD Set 4.2: A 76 ASN : amide:sc= -4.03 K(o=-5.3,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0779 (180deg=-0.222) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.687 USER MOD Single : A 4 SER OG : rot 180:sc= 0.11 USER MOD Single : A 5 SER OG : rot 82:sc= 0.114 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -154:sc= -0.0604 (180deg=-0.367) USER MOD Single : A 17 GLN : amide:sc= -6.09! C(o=-6.1!,f=-6.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.254 X(o=-0.25,f=0.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -135:sc= -4.9! (180deg=-9.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 51:sc= -0.403 USER MOD Single : A 44 SER OG : rot 180:sc= -0.191 USER MOD Single : A 45 HIS :FLIP no HE2:sc= -11.1! C(o=-15!,f=-11!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -30:sc= -4.65! USER MOD Single : A 52 CYS SG : rot 66:sc= -2.22! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -108:sc= -0.151 (180deg=-0.47) USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-3.1!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 83 SER OG : rot 180:sc= -0.296 USER MOD Single : A 87 LYS NZ :NH3+ -150:sc= -0.161 (180deg=-0.961) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN :FLIP amide:sc= -18.7! C(o=-24!,f=-19!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0.46) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.00921) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.832 -13.861 -12.362 1.00 0.00 N ATOM 2 CA MET A 1 -14.720 -14.837 -11.670 1.00 0.00 C ATOM 3 C MET A 1 -15.016 -14.341 -10.253 1.00 0.00 C ATOM 4 O MET A 1 -16.018 -14.691 -9.662 1.00 0.00 O ATOM 5 CB MET A 1 -14.025 -16.199 -11.599 1.00 0.00 C ATOM 6 CG MET A 1 -15.072 -17.311 -11.677 1.00 0.00 C ATOM 7 SD MET A 1 -14.269 -18.914 -11.425 1.00 0.00 S ATOM 8 CE MET A 1 -14.644 -19.615 -13.051 1.00 0.00 C ATOM 0 H1 MET A 1 -13.781 -14.095 -13.374 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.216 -12.901 -12.248 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.879 -13.904 -11.948 1.00 0.00 H new ATOM 0 HA MET A 1 -15.654 -14.934 -12.224 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.312 -16.298 -12.417 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.459 -16.282 -10.671 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.841 -17.155 -10.921 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.569 -17.290 -12.647 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.233 -20.622 -13.116 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.724 -19.654 -13.190 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.201 -18.991 -13.827 1.00 0.00 H new ATOM 20 N ALA A 2 -14.147 -13.533 -9.704 1.00 0.00 N ATOM 21 CA ALA A 2 -14.364 -13.028 -8.360 1.00 0.00 C ATOM 22 C ALA A 2 -15.828 -12.610 -8.194 1.00 0.00 C ATOM 23 O ALA A 2 -16.301 -11.699 -8.844 1.00 0.00 O ATOM 24 CB ALA A 2 -13.458 -11.820 -8.117 1.00 0.00 C ATOM 0 H ALA A 2 -13.291 -13.210 -10.154 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.130 -13.811 -7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.620 -11.440 -7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.416 -12.119 -8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.691 -11.039 -8.841 1.00 0.00 H new ATOM 30 N THR A 3 -16.546 -13.272 -7.330 1.00 0.00 N ATOM 31 CA THR A 3 -17.942 -12.924 -7.130 1.00 0.00 C ATOM 32 C THR A 3 -18.101 -12.159 -5.813 1.00 0.00 C ATOM 33 O THR A 3 -18.008 -10.948 -5.776 1.00 0.00 O ATOM 34 CB THR A 3 -18.799 -14.196 -7.095 1.00 0.00 C ATOM 35 OG1 THR A 3 -19.951 -13.962 -6.298 1.00 0.00 O ATOM 36 CG2 THR A 3 -17.995 -15.355 -6.503 1.00 0.00 C ATOM 0 H THR A 3 -16.204 -14.044 -6.758 1.00 0.00 H new ATOM 0 HA THR A 3 -18.273 -12.294 -7.955 1.00 0.00 H new ATOM 0 HB THR A 3 -19.099 -14.455 -8.110 1.00 0.00 H new ATOM 0 HG1 THR A 3 -20.502 -14.772 -6.274 1.00 0.00 H new ATOM 0 HG21 THR A 3 -18.612 -16.253 -6.483 1.00 0.00 H new ATOM 0 HG22 THR A 3 -17.112 -15.536 -7.116 1.00 0.00 H new ATOM 0 HG23 THR A 3 -17.687 -15.103 -5.488 1.00 0.00 H new ATOM 44 N SER A 4 -18.352 -12.855 -4.735 1.00 0.00 N ATOM 45 CA SER A 4 -18.524 -12.191 -3.454 1.00 0.00 C ATOM 46 C SER A 4 -17.474 -11.089 -3.287 1.00 0.00 C ATOM 47 O SER A 4 -17.801 -9.934 -3.101 1.00 0.00 O ATOM 48 CB SER A 4 -18.373 -13.213 -2.327 1.00 0.00 C ATOM 49 OG SER A 4 -17.896 -14.439 -2.865 1.00 0.00 O ATOM 0 H SER A 4 -18.443 -13.871 -4.710 1.00 0.00 H new ATOM 0 HA SER A 4 -19.518 -11.744 -3.415 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.680 -12.840 -1.573 1.00 0.00 H new ATOM 0 HB3 SER A 4 -19.331 -13.369 -1.831 1.00 0.00 H new ATOM 0 HG SER A 4 -17.797 -15.096 -2.144 1.00 0.00 H new ATOM 55 N SER A 5 -16.217 -11.434 -3.344 1.00 0.00 N ATOM 56 CA SER A 5 -15.185 -10.427 -3.184 1.00 0.00 C ATOM 57 C SER A 5 -15.027 -9.635 -4.482 1.00 0.00 C ATOM 58 O SER A 5 -15.778 -9.802 -5.423 1.00 0.00 O ATOM 59 CB SER A 5 -13.855 -11.096 -2.847 1.00 0.00 C ATOM 60 OG SER A 5 -14.037 -12.505 -2.793 1.00 0.00 O ATOM 0 H SER A 5 -15.879 -12.384 -3.497 1.00 0.00 H new ATOM 0 HA SER A 5 -15.473 -9.755 -2.376 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.107 -10.843 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.483 -10.729 -1.891 1.00 0.00 H new ATOM 0 HG SER A 5 -14.009 -12.873 -3.701 1.00 0.00 H new ATOM 66 N GLU A 6 -14.044 -8.781 -4.538 1.00 0.00 N ATOM 67 CA GLU A 6 -13.813 -7.998 -5.735 1.00 0.00 C ATOM 68 C GLU A 6 -12.456 -8.382 -6.324 1.00 0.00 C ATOM 69 O GLU A 6 -11.629 -8.973 -5.659 1.00 0.00 O ATOM 70 CB GLU A 6 -13.815 -6.512 -5.390 1.00 0.00 C ATOM 71 CG GLU A 6 -14.999 -6.201 -4.474 1.00 0.00 C ATOM 72 CD GLU A 6 -14.681 -6.659 -3.050 1.00 0.00 C ATOM 73 OE1 GLU A 6 -13.652 -6.253 -2.535 1.00 0.00 O ATOM 74 OE2 GLU A 6 -15.471 -7.407 -2.498 1.00 0.00 O ATOM 0 H GLU A 6 -13.389 -8.605 -3.777 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.603 -8.196 -6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.881 -6.241 -4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.880 -5.917 -6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.208 -5.131 -4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.895 -6.705 -4.837 1.00 0.00 H new ATOM 81 N GLU A 7 -12.212 -8.047 -7.558 1.00 0.00 N ATOM 82 CA GLU A 7 -10.943 -8.365 -8.186 1.00 0.00 C ATOM 83 C GLU A 7 -9.798 -7.691 -7.433 1.00 0.00 C ATOM 84 O GLU A 7 -10.008 -6.813 -6.619 1.00 0.00 O ATOM 85 CB GLU A 7 -10.957 -7.876 -9.635 1.00 0.00 C ATOM 86 CG GLU A 7 -12.195 -8.424 -10.348 1.00 0.00 C ATOM 87 CD GLU A 7 -11.779 -9.077 -11.667 1.00 0.00 C ATOM 88 OE1 GLU A 7 -11.745 -8.378 -12.667 1.00 0.00 O ATOM 89 OE2 GLU A 7 -11.502 -10.265 -11.656 1.00 0.00 O ATOM 0 H GLU A 7 -12.871 -7.552 -8.159 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.796 -9.445 -8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.962 -6.786 -9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.054 -8.204 -10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.700 -9.152 -9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.905 -7.619 -10.537 1.00 0.00 H new ATOM 96 N VAL A 8 -8.589 -8.115 -7.677 1.00 0.00 N ATOM 97 CA VAL A 8 -7.457 -7.544 -6.977 1.00 0.00 C ATOM 98 C VAL A 8 -6.820 -6.487 -7.882 1.00 0.00 C ATOM 99 O VAL A 8 -7.007 -6.482 -9.082 1.00 0.00 O ATOM 100 CB VAL A 8 -6.443 -8.646 -6.666 1.00 0.00 C ATOM 101 CG1 VAL A 8 -6.129 -9.428 -7.943 1.00 0.00 C ATOM 102 CG2 VAL A 8 -5.155 -8.024 -6.122 1.00 0.00 C ATOM 0 H VAL A 8 -8.356 -8.847 -8.348 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.777 -7.088 -6.040 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.863 -9.320 -5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.406 -10.213 -7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.044 -9.876 -8.329 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.712 -8.753 -8.690 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.435 -8.812 -5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.735 -7.347 -6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.376 -7.469 -5.210 1.00 0.00 H new ATOM 112 N LEU A 9 -6.147 -5.538 -7.295 1.00 0.00 N ATOM 113 CA LEU A 9 -5.606 -4.445 -8.085 1.00 0.00 C ATOM 114 C LEU A 9 -4.113 -4.621 -8.418 1.00 0.00 C ATOM 115 O LEU A 9 -3.749 -4.570 -9.576 1.00 0.00 O ATOM 116 CB LEU A 9 -5.814 -3.139 -7.315 1.00 0.00 C ATOM 117 CG LEU A 9 -5.012 -2.014 -7.969 1.00 0.00 C ATOM 118 CD1 LEU A 9 -5.234 -2.035 -9.482 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.480 -0.674 -7.404 1.00 0.00 C ATOM 0 H LEU A 9 -5.957 -5.489 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.135 -4.430 -9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.873 -2.881 -7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.502 -3.265 -6.278 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.951 -2.152 -7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.661 -1.232 -9.945 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.906 -2.993 -9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.294 -1.895 -9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.912 0.134 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.541 -0.540 -7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.321 -0.658 -6.326 1.00 0.00 H new ATOM 131 N LEU A 10 -3.228 -4.802 -7.472 1.00 0.00 N ATOM 132 CA LEU A 10 -1.836 -4.933 -7.876 1.00 0.00 C ATOM 133 C LEU A 10 -0.999 -5.630 -6.807 1.00 0.00 C ATOM 134 O LEU A 10 -1.266 -5.540 -5.625 1.00 0.00 O ATOM 135 CB LEU A 10 -1.257 -3.543 -8.143 1.00 0.00 C ATOM 136 CG LEU A 10 0.230 -3.665 -8.480 1.00 0.00 C ATOM 137 CD1 LEU A 10 0.391 -4.329 -9.849 1.00 0.00 C ATOM 138 CD2 LEU A 10 0.859 -2.271 -8.514 1.00 0.00 C ATOM 0 H LEU A 10 -3.419 -4.861 -6.472 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.803 -5.542 -8.779 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.790 -3.068 -8.967 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.391 -2.907 -7.268 1.00 0.00 H new ATOM 0 HG LEU A 10 0.726 -4.271 -7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.451 -4.416 -10.089 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.059 -5.322 -9.827 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.104 -3.723 -10.608 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.919 -2.356 -8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.362 -1.666 -9.273 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.745 -1.796 -7.539 1.00 0.00 H new ATOM 150 N ILE A 11 0.022 -6.327 -7.232 1.00 0.00 N ATOM 151 CA ILE A 11 0.883 -7.026 -6.299 1.00 0.00 C ATOM 152 C ILE A 11 2.312 -6.523 -6.460 1.00 0.00 C ATOM 153 O ILE A 11 2.853 -6.488 -7.548 1.00 0.00 O ATOM 154 CB ILE A 11 0.838 -8.539 -6.593 1.00 0.00 C ATOM 155 CG1 ILE A 11 2.161 -9.232 -6.190 1.00 0.00 C ATOM 156 CG2 ILE A 11 0.588 -8.760 -8.085 1.00 0.00 C ATOM 157 CD1 ILE A 11 3.254 -8.999 -7.245 1.00 0.00 C ATOM 0 H ILE A 11 0.282 -6.429 -8.213 1.00 0.00 H new ATOM 0 HA ILE A 11 0.542 -6.843 -5.280 1.00 0.00 H new ATOM 0 HB ILE A 11 0.030 -8.975 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.496 -8.850 -5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.992 -10.302 -6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.556 -9.829 -8.294 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.363 -8.307 -8.366 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.392 -8.302 -8.660 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.172 -9.498 -6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.927 -9.404 -8.203 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.439 -7.930 -7.347 1.00 0.00 H new ATOM 169 N VAL A 12 2.938 -6.166 -5.387 1.00 0.00 N ATOM 170 CA VAL A 12 4.304 -5.725 -5.478 1.00 0.00 C ATOM 171 C VAL A 12 5.121 -6.544 -4.481 1.00 0.00 C ATOM 172 O VAL A 12 4.738 -6.712 -3.340 1.00 0.00 O ATOM 173 CB VAL A 12 4.403 -4.232 -5.166 1.00 0.00 C ATOM 174 CG1 VAL A 12 3.301 -3.481 -5.913 1.00 0.00 C ATOM 175 CG2 VAL A 12 4.242 -4.007 -3.665 1.00 0.00 C ATOM 0 H VAL A 12 2.540 -6.168 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 12 4.688 -5.872 -6.488 1.00 0.00 H new ATOM 0 HB VAL A 12 5.378 -3.862 -5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.371 -2.416 -5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.418 -3.636 -6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.327 -3.854 -5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.313 -2.941 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.269 -4.379 -3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.029 -4.540 -3.131 1.00 0.00 H new ATOM 185 N LYS A 13 6.229 -7.076 -4.901 1.00 0.00 N ATOM 186 CA LYS A 13 7.006 -7.878 -3.980 1.00 0.00 C ATOM 187 C LYS A 13 7.841 -6.975 -3.076 1.00 0.00 C ATOM 188 O LYS A 13 7.513 -6.726 -1.959 1.00 0.00 O ATOM 189 CB LYS A 13 7.929 -8.808 -4.774 1.00 0.00 C ATOM 190 CG LYS A 13 7.607 -10.261 -4.425 1.00 0.00 C ATOM 191 CD LYS A 13 8.545 -10.735 -3.314 1.00 0.00 C ATOM 192 CE LYS A 13 8.286 -12.213 -3.021 1.00 0.00 C ATOM 193 NZ LYS A 13 8.508 -12.475 -1.571 1.00 0.00 N ATOM 0 H LYS A 13 6.613 -6.980 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 13 6.332 -8.471 -3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.799 -8.642 -5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.971 -8.589 -4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.570 -10.348 -4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.721 -10.892 -5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.583 -10.590 -3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.387 -10.142 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.265 -12.477 -3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.950 -12.836 -3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.332 -13.480 -1.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.489 -12.238 -1.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.857 -11.890 -1.009 1.00 0.00 H new ATOM 207 N LYS A 14 8.933 -6.520 -3.531 1.00 0.00 N ATOM 208 CA LYS A 14 9.777 -5.704 -2.684 1.00 0.00 C ATOM 209 C LYS A 14 8.990 -4.567 -2.006 1.00 0.00 C ATOM 210 O LYS A 14 8.623 -3.597 -2.639 1.00 0.00 O ATOM 211 CB LYS A 14 10.904 -5.108 -3.526 1.00 0.00 C ATOM 212 CG LYS A 14 12.245 -5.662 -3.041 1.00 0.00 C ATOM 213 CD LYS A 14 12.158 -7.186 -2.936 1.00 0.00 C ATOM 214 CE LYS A 14 13.520 -7.803 -3.261 1.00 0.00 C ATOM 215 NZ LYS A 14 13.792 -7.668 -4.719 1.00 0.00 N ATOM 0 H LYS A 14 9.286 -6.681 -4.474 1.00 0.00 H new ATOM 0 HA LYS A 14 10.180 -6.342 -1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.756 -5.352 -4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.897 -4.021 -3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.039 -5.379 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.499 -5.234 -2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.848 -7.474 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.402 -7.565 -3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.302 -7.306 -2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.533 -8.854 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.442 -8.421 -5.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.900 -7.747 -5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.225 -6.741 -4.907 1.00 0.00 H new ATOM 229 N VAL A 15 8.891 -4.615 -0.688 1.00 0.00 N ATOM 230 CA VAL A 15 8.310 -3.488 0.014 1.00 0.00 C ATOM 231 C VAL A 15 9.057 -3.292 1.313 1.00 0.00 C ATOM 232 O VAL A 15 9.531 -4.222 1.935 1.00 0.00 O ATOM 233 CB VAL A 15 6.802 -3.604 0.243 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.289 -2.326 0.904 1.00 0.00 C ATOM 235 CG2 VAL A 15 6.111 -3.752 -1.098 1.00 0.00 C ATOM 0 H VAL A 15 9.194 -5.393 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 15 8.420 -2.610 -0.623 1.00 0.00 H new ATOM 0 HB VAL A 15 6.597 -4.465 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.214 -2.407 1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.792 -2.184 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.494 -1.474 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.035 -3.836 -0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.323 -2.879 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.477 -4.648 -1.599 1.00 0.00 H new ATOM 245 N ARG A 16 9.182 -2.072 1.702 1.00 0.00 N ATOM 246 CA ARG A 16 9.893 -1.749 2.899 1.00 0.00 C ATOM 247 C ARG A 16 8.973 -0.957 3.797 1.00 0.00 C ATOM 248 O ARG A 16 8.371 0.012 3.394 1.00 0.00 O ATOM 249 CB ARG A 16 11.107 -0.886 2.519 1.00 0.00 C ATOM 250 CG ARG A 16 11.556 -0.025 3.709 1.00 0.00 C ATOM 251 CD ARG A 16 13.073 -0.135 3.909 1.00 0.00 C ATOM 252 NE ARG A 16 13.529 -1.482 3.614 1.00 0.00 N ATOM 253 CZ ARG A 16 14.797 -1.705 3.389 1.00 0.00 C ATOM 254 NH1 ARG A 16 15.660 -0.726 3.462 1.00 0.00 N ATOM 255 NH2 ARG A 16 15.206 -2.908 3.093 1.00 0.00 N ATOM 0 H ARG A 16 8.798 -1.269 1.205 1.00 0.00 H new ATOM 0 HA ARG A 16 10.225 -2.651 3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.928 -1.527 2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.853 -0.245 1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.280 1.015 3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.040 -0.346 4.614 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.584 0.578 3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.330 0.126 4.936 1.00 0.00 H new ATOM 0 HE ARG A 16 12.861 -2.252 3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.345 0.216 3.695 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.649 -0.904 3.286 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.536 -3.675 3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.196 -3.081 2.917 1.00 0.00 H new ATOM 269 N GLN A 17 8.882 -1.339 5.016 1.00 0.00 N ATOM 270 CA GLN A 17 8.061 -0.603 5.915 1.00 0.00 C ATOM 271 C GLN A 17 8.867 -0.492 7.199 1.00 0.00 C ATOM 272 O GLN A 17 9.565 -1.416 7.564 1.00 0.00 O ATOM 273 CB GLN A 17 6.727 -1.334 6.112 1.00 0.00 C ATOM 274 CG GLN A 17 6.928 -2.576 6.956 1.00 0.00 C ATOM 275 CD GLN A 17 5.572 -3.230 7.226 1.00 0.00 C ATOM 276 OE1 GLN A 17 4.894 -2.883 8.172 1.00 0.00 O ATOM 277 NE2 GLN A 17 5.143 -4.167 6.425 1.00 0.00 N ATOM 0 H GLN A 17 9.358 -2.147 5.416 1.00 0.00 H new ATOM 0 HA GLN A 17 7.805 0.390 5.547 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.009 -0.671 6.594 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.308 -1.608 5.144 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.586 -3.276 6.442 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.413 -2.315 7.897 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.712 -4.459 5.630 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.239 -4.608 6.594 1.00 0.00 H new ATOM 286 N LYS A 18 8.897 0.669 7.793 1.00 0.00 N ATOM 287 CA LYS A 18 9.765 0.893 8.945 1.00 0.00 C ATOM 288 C LYS A 18 9.859 -0.355 9.838 1.00 0.00 C ATOM 289 O LYS A 18 10.817 -0.515 10.568 1.00 0.00 O ATOM 290 CB LYS A 18 9.216 2.061 9.765 1.00 0.00 C ATOM 291 CG LYS A 18 10.251 3.188 9.802 1.00 0.00 C ATOM 292 CD LYS A 18 9.558 4.512 10.133 1.00 0.00 C ATOM 293 CE LYS A 18 10.586 5.504 10.679 1.00 0.00 C ATOM 294 NZ LYS A 18 10.229 6.884 10.242 1.00 0.00 N ATOM 0 H LYS A 18 8.341 1.476 7.511 1.00 0.00 H new ATOM 0 HA LYS A 18 10.766 1.119 8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.285 2.421 9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.985 1.731 10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.015 2.969 10.548 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.757 3.262 8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.083 4.919 9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.769 4.348 10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.614 5.452 11.767 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.582 5.245 10.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.929 7.558 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.223 6.929 9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.285 7.130 10.604 1.00 0.00 H new ATOM 308 N LYS A 19 8.924 -1.260 9.773 1.00 0.00 N ATOM 309 CA LYS A 19 9.044 -2.451 10.578 1.00 0.00 C ATOM 310 C LYS A 19 9.939 -3.494 9.868 1.00 0.00 C ATOM 311 O LYS A 19 10.847 -4.053 10.450 1.00 0.00 O ATOM 312 CB LYS A 19 7.626 -3.052 10.828 1.00 0.00 C ATOM 313 CG LYS A 19 7.283 -4.199 9.827 1.00 0.00 C ATOM 314 CD LYS A 19 5.986 -4.917 10.221 1.00 0.00 C ATOM 315 CE LYS A 19 5.010 -3.934 10.877 1.00 0.00 C ATOM 316 NZ LYS A 19 3.677 -4.582 11.027 1.00 0.00 N ATOM 0 H LYS A 19 8.090 -1.204 9.189 1.00 0.00 H new ATOM 0 HA LYS A 19 9.504 -2.191 11.531 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.570 -3.434 11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.879 -2.263 10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.183 -3.789 8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.103 -4.916 9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.526 -5.362 9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.209 -5.732 10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.388 -3.626 11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.922 -3.033 10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.015 -3.915 11.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.316 -4.855 10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.768 -5.429 11.623 1.00 0.00 H new ATOM 330 N GLN A 20 9.585 -3.832 8.659 1.00 0.00 N ATOM 331 CA GLN A 20 10.251 -4.900 7.940 1.00 0.00 C ATOM 332 C GLN A 20 10.199 -4.676 6.440 1.00 0.00 C ATOM 333 O GLN A 20 9.451 -3.864 5.941 1.00 0.00 O ATOM 334 CB GLN A 20 9.559 -6.219 8.250 1.00 0.00 C ATOM 335 CG GLN A 20 9.851 -6.615 9.688 1.00 0.00 C ATOM 336 CD GLN A 20 11.298 -7.099 9.806 1.00 0.00 C ATOM 337 OE1 GLN A 20 12.064 -6.577 10.591 1.00 0.00 O ATOM 338 NE2 GLN A 20 11.707 -8.083 9.053 1.00 0.00 N ATOM 0 H GLN A 20 8.831 -3.382 8.140 1.00 0.00 H new ATOM 0 HA GLN A 20 11.294 -4.919 8.257 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.484 -6.123 8.099 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.909 -6.995 7.569 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.687 -5.765 10.350 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.167 -7.402 10.005 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.064 -8.522 8.394 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.669 -8.413 9.124 1.00 0.00 H new ATOM 347 N ASP A 21 10.947 -5.442 5.711 1.00 0.00 N ATOM 348 CA ASP A 21 10.885 -5.330 4.279 1.00 0.00 C ATOM 349 C ASP A 21 10.110 -6.591 3.918 1.00 0.00 C ATOM 350 O ASP A 21 10.393 -7.680 4.378 1.00 0.00 O ATOM 351 CB ASP A 21 12.288 -5.349 3.655 1.00 0.00 C ATOM 352 CG ASP A 21 13.298 -4.773 4.649 1.00 0.00 C ATOM 353 OD1 ASP A 21 12.917 -3.904 5.416 1.00 0.00 O ATOM 354 OD2 ASP A 21 14.437 -5.211 4.627 1.00 0.00 O ATOM 0 H ASP A 21 11.598 -6.141 6.069 1.00 0.00 H new ATOM 0 HA ASP A 21 10.433 -4.404 3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.565 -6.369 3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.296 -4.766 2.734 1.00 0.00 H new ATOM 359 N GLY A 22 9.072 -6.406 3.162 1.00 0.00 N ATOM 360 CA GLY A 22 8.185 -7.496 2.822 1.00 0.00 C ATOM 361 C GLY A 22 7.352 -7.111 1.612 1.00 0.00 C ATOM 362 O GLY A 22 7.416 -5.986 1.166 1.00 0.00 O ATOM 0 H GLY A 22 8.810 -5.505 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.762 -8.396 2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.535 -7.727 3.666 1.00 0.00 H new ATOM 366 N ALA A 23 6.678 -8.037 0.983 1.00 0.00 N ATOM 367 CA ALA A 23 5.947 -7.678 -0.211 1.00 0.00 C ATOM 368 C ALA A 23 4.550 -7.110 0.118 1.00 0.00 C ATOM 369 O ALA A 23 3.962 -7.356 1.145 1.00 0.00 O ATOM 370 CB ALA A 23 5.803 -8.900 -1.117 1.00 0.00 C ATOM 0 H ALA A 23 6.617 -9.016 1.262 1.00 0.00 H new ATOM 0 HA ALA A 23 6.512 -6.899 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.251 -8.624 -2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.792 -9.265 -1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.263 -9.685 -0.587 1.00 0.00 H new ATOM 376 N LEU A 24 4.081 -6.329 -0.814 1.00 0.00 N ATOM 377 CA LEU A 24 2.782 -5.667 -0.673 1.00 0.00 C ATOM 378 C LEU A 24 1.788 -6.102 -1.759 1.00 0.00 C ATOM 379 O LEU A 24 2.012 -5.934 -2.940 1.00 0.00 O ATOM 380 CB LEU A 24 2.939 -4.137 -0.706 1.00 0.00 C ATOM 381 CG LEU A 24 2.734 -3.564 0.697 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.662 -2.038 0.611 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.427 -4.096 1.290 1.00 0.00 C ATOM 0 H LEU A 24 4.568 -6.125 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 24 2.382 -5.971 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.930 -3.872 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.215 -3.703 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 24 3.567 -3.863 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.516 -1.624 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.591 -1.653 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.828 -1.749 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.287 -3.684 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.592 -3.800 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.470 -5.184 1.348 1.00 0.00 H new ATOM 395 N TYR A 25 0.671 -6.631 -1.338 1.00 0.00 N ATOM 396 CA TYR A 25 -0.372 -7.051 -2.256 1.00 0.00 C ATOM 397 C TYR A 25 -1.540 -6.097 -2.090 1.00 0.00 C ATOM 398 O TYR A 25 -2.018 -5.923 -0.993 1.00 0.00 O ATOM 399 CB TYR A 25 -0.864 -8.433 -1.852 1.00 0.00 C ATOM 400 CG TYR A 25 0.011 -9.480 -2.455 1.00 0.00 C ATOM 401 CD1 TYR A 25 -0.178 -9.842 -3.782 1.00 0.00 C ATOM 402 CD2 TYR A 25 0.998 -10.091 -1.683 1.00 0.00 C ATOM 403 CE1 TYR A 25 0.630 -10.833 -4.351 1.00 0.00 C ATOM 404 CE2 TYR A 25 1.806 -11.079 -2.241 1.00 0.00 C ATOM 405 CZ TYR A 25 1.624 -11.455 -3.579 1.00 0.00 C ATOM 406 OH TYR A 25 2.423 -12.433 -4.137 1.00 0.00 O ATOM 0 H TYR A 25 0.451 -6.786 -0.354 1.00 0.00 H new ATOM 0 HA TYR A 25 0.008 -7.061 -3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.862 -8.526 -0.766 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.893 -8.573 -2.182 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.944 -9.361 -4.372 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.136 -9.798 -0.653 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.489 -11.119 -5.383 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.571 -11.554 -1.644 1.00 0.00 H new ATOM 0 HH TYR A 25 3.059 -12.758 -3.466 1.00 0.00 H new ATOM 416 N LEU A 26 -2.024 -5.455 -3.112 1.00 0.00 N ATOM 417 CA LEU A 26 -3.128 -4.544 -2.880 1.00 0.00 C ATOM 418 C LEU A 26 -4.397 -5.071 -3.546 1.00 0.00 C ATOM 419 O LEU A 26 -4.390 -5.475 -4.697 1.00 0.00 O ATOM 420 CB LEU A 26 -2.793 -3.174 -3.467 1.00 0.00 C ATOM 421 CG LEU A 26 -3.923 -2.194 -3.148 1.00 0.00 C ATOM 422 CD1 LEU A 26 -3.350 -0.786 -3.036 1.00 0.00 C ATOM 423 CD2 LEU A 26 -4.960 -2.221 -4.272 1.00 0.00 C ATOM 0 H LEU A 26 -1.698 -5.531 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.292 -4.460 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.853 -2.809 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.658 -3.252 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.395 -2.481 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.152 -0.084 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.607 -0.758 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.881 -0.508 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.764 -1.522 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.487 -1.934 -5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.369 -3.227 -4.365 1.00 0.00 H new ATOM 435 N MET A 27 -5.490 -5.040 -2.832 1.00 0.00 N ATOM 436 CA MET A 27 -6.747 -5.499 -3.387 1.00 0.00 C ATOM 437 C MET A 27 -7.653 -4.286 -3.600 1.00 0.00 C ATOM 438 O MET A 27 -7.512 -3.273 -2.943 1.00 0.00 O ATOM 439 CB MET A 27 -7.407 -6.483 -2.412 1.00 0.00 C ATOM 440 CG MET A 27 -8.852 -6.764 -2.840 1.00 0.00 C ATOM 441 SD MET A 27 -9.163 -8.546 -2.764 1.00 0.00 S ATOM 442 CE MET A 27 -7.765 -9.066 -3.788 1.00 0.00 C ATOM 0 H MET A 27 -5.542 -4.705 -1.870 1.00 0.00 H new ATOM 0 HA MET A 27 -6.579 -6.006 -4.337 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.841 -7.414 -2.385 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.393 -6.071 -1.403 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.546 -6.234 -2.188 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.022 -6.396 -3.852 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.098 -9.817 -4.504 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.367 -8.205 -4.324 1.00 0.00 H new ATOM 0 HE3 MET A 27 -6.987 -9.490 -3.153 1.00 0.00 H new ATOM 452 N ALA A 28 -8.558 -4.375 -4.532 1.00 0.00 N ATOM 453 CA ALA A 28 -9.442 -3.262 -4.821 1.00 0.00 C ATOM 454 C ALA A 28 -9.856 -2.520 -3.543 1.00 0.00 C ATOM 455 O ALA A 28 -9.714 -1.316 -3.461 1.00 0.00 O ATOM 456 CB ALA A 28 -10.693 -3.787 -5.534 1.00 0.00 C ATOM 0 H ALA A 28 -8.710 -5.202 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.906 -2.558 -5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.362 -2.955 -5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.403 -4.276 -6.464 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.204 -4.504 -4.891 1.00 0.00 H new ATOM 462 N GLU A 29 -10.414 -3.186 -2.565 1.00 0.00 N ATOM 463 CA GLU A 29 -10.867 -2.481 -1.376 1.00 0.00 C ATOM 464 C GLU A 29 -9.912 -2.665 -0.191 1.00 0.00 C ATOM 465 O GLU A 29 -10.283 -2.434 0.940 1.00 0.00 O ATOM 466 CB GLU A 29 -12.211 -3.076 -0.990 1.00 0.00 C ATOM 467 CG GLU A 29 -12.757 -2.397 0.270 1.00 0.00 C ATOM 468 CD GLU A 29 -14.155 -1.845 -0.014 1.00 0.00 C ATOM 469 OE1 GLU A 29 -15.067 -2.643 -0.152 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.290 -0.635 -0.088 1.00 0.00 O ATOM 0 H GLU A 29 -10.567 -4.194 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.920 -1.416 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.918 -2.955 -1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.105 -4.147 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.796 -3.111 1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.092 -1.591 0.579 1.00 0.00 H new ATOM 477 N ARG A 30 -8.702 -3.070 -0.405 1.00 0.00 N ATOM 478 CA ARG A 30 -7.823 -3.232 0.745 1.00 0.00 C ATOM 479 C ARG A 30 -6.355 -3.325 0.352 1.00 0.00 C ATOM 480 O ARG A 30 -6.001 -3.537 -0.790 1.00 0.00 O ATOM 481 CB ARG A 30 -8.227 -4.471 1.561 1.00 0.00 C ATOM 482 CG ARG A 30 -7.358 -5.689 1.222 1.00 0.00 C ATOM 483 CD ARG A 30 -8.231 -6.940 1.220 1.00 0.00 C ATOM 484 NE ARG A 30 -9.324 -6.742 0.290 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.086 -7.745 -0.057 1.00 0.00 C ATOM 486 NH1 ARG A 30 -9.873 -8.935 0.439 1.00 0.00 N ATOM 487 NH2 ARG A 30 -11.062 -7.558 -0.903 1.00 0.00 N ATOM 0 H ARG A 30 -8.298 -3.290 -1.315 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.939 -2.337 1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.141 -4.249 2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.274 -4.707 1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.889 -5.556 0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.554 -5.792 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.643 -7.811 0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.617 -7.133 2.221 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.500 -5.814 -0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.110 -9.083 1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.470 -9.716 0.166 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.229 -6.630 -1.292 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.658 -8.340 -1.175 1.00 0.00 H new ATOM 501 N ILE A 31 -5.508 -3.202 1.333 1.00 0.00 N ATOM 502 CA ILE A 31 -4.083 -3.315 1.100 1.00 0.00 C ATOM 503 C ILE A 31 -3.607 -4.573 1.844 1.00 0.00 C ATOM 504 O ILE A 31 -4.150 -4.923 2.873 1.00 0.00 O ATOM 505 CB ILE A 31 -3.372 -2.038 1.606 1.00 0.00 C ATOM 506 CG1 ILE A 31 -3.022 -1.159 0.403 1.00 0.00 C ATOM 507 CG2 ILE A 31 -2.080 -2.384 2.358 1.00 0.00 C ATOM 508 CD1 ILE A 31 -1.885 -1.807 -0.392 1.00 0.00 C ATOM 0 H ILE A 31 -5.771 -3.024 2.302 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.849 -3.408 0.039 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.042 -1.515 2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.897 -1.031 -0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.724 -0.166 0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.602 -1.467 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.316 -3.014 3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.403 -2.918 1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.637 -1.180 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.008 -1.912 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.200 -2.790 -0.741 1.00 0.00 H new ATOM 520 N ALA A 32 -2.634 -5.281 1.331 1.00 0.00 N ATOM 521 CA ALA A 32 -2.215 -6.494 2.013 1.00 0.00 C ATOM 522 C ALA A 32 -0.697 -6.648 2.038 1.00 0.00 C ATOM 523 O ALA A 32 0.009 -6.253 1.132 1.00 0.00 O ATOM 524 CB ALA A 32 -2.838 -7.707 1.321 1.00 0.00 C ATOM 0 H ALA A 32 -2.128 -5.057 0.474 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.556 -6.426 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.525 -8.618 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.925 -7.627 1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.509 -7.742 0.282 1.00 0.00 H new ATOM 530 N TRP A 33 -0.207 -7.224 3.103 1.00 0.00 N ATOM 531 CA TRP A 33 1.220 -7.413 3.241 1.00 0.00 C ATOM 532 C TRP A 33 1.570 -8.894 3.216 1.00 0.00 C ATOM 533 O TRP A 33 0.834 -9.736 3.690 1.00 0.00 O ATOM 534 CB TRP A 33 1.687 -6.811 4.556 1.00 0.00 C ATOM 535 CG TRP A 33 3.162 -6.718 4.552 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.886 -6.330 3.492 1.00 0.00 C ATOM 537 CD2 TRP A 33 4.122 -7.021 5.609 1.00 0.00 C ATOM 538 NE1 TRP A 33 5.206 -6.274 3.863 1.00 0.00 N ATOM 539 CE2 TRP A 33 5.407 -6.718 5.124 1.00 0.00 C ATOM 540 CE3 TRP A 33 4.017 -7.501 6.924 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.544 -6.866 5.884 1.00 0.00 C ATOM 542 CZ3 TRP A 33 5.174 -7.678 7.701 1.00 0.00 C ATOM 543 CH2 TRP A 33 6.438 -7.354 7.180 1.00 0.00 C ATOM 0 H TRP A 33 -0.765 -7.569 3.884 1.00 0.00 H new ATOM 0 HA TRP A 33 1.718 -6.919 2.407 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.249 -5.822 4.693 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.352 -7.427 5.391 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.496 -6.100 2.511 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.952 -5.935 3.255 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.047 -7.734 7.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.510 -6.605 5.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.091 -8.066 8.706 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.323 -7.484 7.785 1.00 0.00 H new ATOM 554 N ALA A 34 2.710 -9.204 2.674 1.00 0.00 N ATOM 555 CA ALA A 34 3.141 -10.585 2.618 1.00 0.00 C ATOM 556 C ALA A 34 4.671 -10.682 2.620 1.00 0.00 C ATOM 557 O ALA A 34 5.322 -10.298 1.667 1.00 0.00 O ATOM 558 CB ALA A 34 2.563 -11.263 1.390 1.00 0.00 C ATOM 0 H ALA A 34 3.359 -8.532 2.265 1.00 0.00 H new ATOM 0 HA ALA A 34 2.772 -11.097 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.894 -12.301 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.474 -11.230 1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.905 -10.746 0.494 1.00 0.00 H new ATOM 564 N PRO A 35 5.193 -11.218 3.698 1.00 0.00 N ATOM 565 CA PRO A 35 6.661 -11.380 3.788 1.00 0.00 C ATOM 566 C PRO A 35 6.990 -12.875 3.804 1.00 0.00 C ATOM 567 O PRO A 35 6.233 -13.686 3.311 1.00 0.00 O ATOM 568 CB PRO A 35 7.071 -10.732 5.117 1.00 0.00 C ATOM 569 CG PRO A 35 5.779 -10.317 5.848 1.00 0.00 C ATOM 570 CD PRO A 35 4.599 -10.666 4.937 1.00 0.00 C ATOM 0 HA PRO A 35 7.185 -10.923 2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.647 -11.432 5.723 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.707 -9.865 4.941 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.694 -10.839 6.801 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.790 -9.250 6.069 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.940 -11.393 5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.997 -9.783 4.722 1.00 0.00 H new ATOM 578 N GLU A 36 8.097 -13.254 4.379 1.00 0.00 N ATOM 579 CA GLU A 36 8.431 -14.663 4.432 1.00 0.00 C ATOM 580 C GLU A 36 7.755 -15.285 5.659 1.00 0.00 C ATOM 581 O GLU A 36 8.374 -15.991 6.431 1.00 0.00 O ATOM 582 CB GLU A 36 9.948 -14.828 4.537 1.00 0.00 C ATOM 583 CG GLU A 36 10.413 -14.416 5.935 1.00 0.00 C ATOM 584 CD GLU A 36 10.941 -15.643 6.680 1.00 0.00 C ATOM 585 OE1 GLU A 36 10.606 -16.745 6.278 1.00 0.00 O ATOM 586 OE2 GLU A 36 11.670 -15.459 7.640 1.00 0.00 O ATOM 0 H GLU A 36 8.776 -12.627 4.811 1.00 0.00 H new ATOM 0 HA GLU A 36 8.083 -15.161 3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.226 -15.864 4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.444 -14.217 3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.193 -13.658 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.586 -13.970 6.488 1.00 0.00 H new ATOM 593 N GLY A 37 6.489 -15.020 5.847 1.00 0.00 N ATOM 594 CA GLY A 37 5.788 -15.569 6.993 1.00 0.00 C ATOM 595 C GLY A 37 5.658 -17.084 6.847 1.00 0.00 C ATOM 596 O GLY A 37 6.588 -17.761 6.454 1.00 0.00 O ATOM 0 H GLY A 37 5.922 -14.435 5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.327 -15.328 7.909 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.800 -15.117 7.076 1.00 0.00 H new ATOM 600 N LYS A 38 4.513 -17.627 7.166 1.00 0.00 N ATOM 601 CA LYS A 38 4.343 -19.062 7.051 1.00 0.00 C ATOM 602 C LYS A 38 3.013 -19.380 6.371 1.00 0.00 C ATOM 603 O LYS A 38 2.291 -20.267 6.780 1.00 0.00 O ATOM 604 CB LYS A 38 4.374 -19.696 8.443 1.00 0.00 C ATOM 605 CG LYS A 38 5.411 -20.820 8.470 1.00 0.00 C ATOM 606 CD LYS A 38 5.403 -21.487 9.847 1.00 0.00 C ATOM 607 CE LYS A 38 6.289 -22.733 9.815 1.00 0.00 C ATOM 608 NZ LYS A 38 7.172 -22.745 11.015 1.00 0.00 N ATOM 0 H LYS A 38 3.697 -17.116 7.501 1.00 0.00 H new ATOM 0 HA LYS A 38 5.155 -19.469 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.619 -18.943 9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.390 -20.089 8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.187 -21.555 7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.402 -20.421 8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.765 -20.790 10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.385 -21.759 10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.672 -23.631 9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.892 -22.741 8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.775 -23.592 10.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.770 -21.894 11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.588 -22.757 11.876 1.00 0.00 H new ATOM 622 N ASP A 39 2.693 -18.676 5.324 1.00 0.00 N ATOM 623 CA ASP A 39 1.461 -18.933 4.612 1.00 0.00 C ATOM 624 C ASP A 39 1.611 -18.326 3.215 1.00 0.00 C ATOM 625 O ASP A 39 2.325 -18.847 2.381 1.00 0.00 O ATOM 626 CB ASP A 39 0.288 -18.287 5.353 1.00 0.00 C ATOM 627 CG ASP A 39 0.745 -16.971 5.986 1.00 0.00 C ATOM 628 OD1 ASP A 39 1.692 -16.391 5.481 1.00 0.00 O ATOM 629 OD2 ASP A 39 0.139 -16.565 6.964 1.00 0.00 O ATOM 0 H ASP A 39 3.261 -17.921 4.940 1.00 0.00 H new ATOM 0 HA ASP A 39 1.264 -20.003 4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.535 -18.104 4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.086 -18.962 6.123 1.00 0.00 H new ATOM 634 N ARG A 40 0.974 -17.218 2.955 1.00 0.00 N ATOM 635 CA ARG A 40 1.104 -16.580 1.655 1.00 0.00 C ATOM 636 C ARG A 40 0.950 -15.084 1.861 1.00 0.00 C ATOM 637 O ARG A 40 1.754 -14.283 1.427 1.00 0.00 O ATOM 638 CB ARG A 40 0.018 -17.067 0.684 1.00 0.00 C ATOM 639 CG ARG A 40 -0.623 -18.356 1.207 1.00 0.00 C ATOM 640 CD ARG A 40 -1.752 -18.782 0.266 1.00 0.00 C ATOM 641 NE ARG A 40 -1.219 -18.977 -1.069 1.00 0.00 N ATOM 642 CZ ARG A 40 -1.916 -19.622 -1.967 1.00 0.00 C ATOM 643 NH1 ARG A 40 -3.099 -20.090 -1.671 1.00 0.00 N ATOM 644 NH2 ARG A 40 -1.429 -19.797 -3.165 1.00 0.00 N ATOM 0 H ARG A 40 0.363 -16.734 3.613 1.00 0.00 H new ATOM 0 HA ARG A 40 2.074 -16.828 1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.744 -16.297 0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.452 -17.242 -0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.126 -19.145 1.275 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.013 -18.199 2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.211 -19.703 0.624 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.533 -18.022 0.250 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.298 -18.610 -1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.482 -19.953 -0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.639 -20.593 -2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.506 -19.431 -3.399 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.971 -20.300 -3.867 1.00 0.00 H new ATOM 658 N PHE A 41 -0.085 -14.723 2.538 1.00 0.00 N ATOM 659 CA PHE A 41 -0.346 -13.328 2.821 1.00 0.00 C ATOM 660 C PHE A 41 0.085 -13.016 4.251 1.00 0.00 C ATOM 661 O PHE A 41 0.628 -13.855 4.941 1.00 0.00 O ATOM 662 CB PHE A 41 -1.838 -13.048 2.665 1.00 0.00 C ATOM 663 CG PHE A 41 -2.129 -12.835 1.207 1.00 0.00 C ATOM 664 CD1 PHE A 41 -1.953 -11.568 0.642 1.00 0.00 C ATOM 665 CD2 PHE A 41 -2.554 -13.907 0.416 1.00 0.00 C ATOM 666 CE1 PHE A 41 -2.206 -11.373 -0.721 1.00 0.00 C ATOM 667 CE2 PHE A 41 -2.804 -13.714 -0.944 1.00 0.00 C ATOM 668 CZ PHE A 41 -2.631 -12.449 -1.513 1.00 0.00 C ATOM 0 H PHE A 41 -0.778 -15.370 2.915 1.00 0.00 H new ATOM 0 HA PHE A 41 0.214 -12.702 2.126 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.423 -13.883 3.051 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.121 -12.167 3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.623 -10.743 1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.689 -14.884 0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.074 -10.396 -1.161 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.131 -14.542 -1.556 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.825 -12.300 -2.565 1.00 0.00 H new ATOM 678 N THR A 42 -0.153 -11.819 4.707 1.00 0.00 N ATOM 679 CA THR A 42 0.238 -11.486 6.061 1.00 0.00 C ATOM 680 C THR A 42 -0.631 -10.341 6.607 1.00 0.00 C ATOM 681 O THR A 42 -0.861 -10.246 7.797 1.00 0.00 O ATOM 682 CB THR A 42 1.739 -11.112 6.085 1.00 0.00 C ATOM 683 OG1 THR A 42 2.418 -11.971 6.989 1.00 0.00 O ATOM 684 CG2 THR A 42 1.968 -9.657 6.513 1.00 0.00 C ATOM 0 H THR A 42 -0.604 -11.069 4.182 1.00 0.00 H new ATOM 0 HA THR A 42 0.084 -12.351 6.706 1.00 0.00 H new ATOM 0 HB THR A 42 2.125 -11.227 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.191 -12.903 6.788 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.037 -9.442 6.515 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.464 -8.989 5.814 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.566 -9.505 7.515 1.00 0.00 H new ATOM 692 N ILE A 43 -1.091 -9.456 5.762 1.00 0.00 N ATOM 693 CA ILE A 43 -1.886 -8.348 6.258 1.00 0.00 C ATOM 694 C ILE A 43 -2.971 -7.977 5.257 1.00 0.00 C ATOM 695 O ILE A 43 -2.814 -8.145 4.066 1.00 0.00 O ATOM 696 CB ILE A 43 -0.956 -7.141 6.497 1.00 0.00 C ATOM 697 CG1 ILE A 43 -1.072 -6.690 7.954 1.00 0.00 C ATOM 698 CG2 ILE A 43 -1.293 -5.946 5.567 1.00 0.00 C ATOM 699 CD1 ILE A 43 -0.653 -5.224 8.057 1.00 0.00 C ATOM 0 H ILE A 43 -0.939 -9.471 4.754 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.370 -8.638 7.191 1.00 0.00 H new ATOM 0 HB ILE A 43 0.061 -7.462 6.272 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.096 -6.814 8.306 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.439 -7.308 8.591 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.611 -5.121 5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.187 -6.253 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.318 -5.623 5.747 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.733 -4.895 9.093 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.378 -5.116 7.720 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.305 -4.614 7.431 1.00 0.00 H new ATOM 711 N SER A 44 -4.059 -7.462 5.745 1.00 0.00 N ATOM 712 CA SER A 44 -5.124 -7.066 4.854 1.00 0.00 C ATOM 713 C SER A 44 -6.038 -6.047 5.538 1.00 0.00 C ATOM 714 O SER A 44 -6.786 -6.374 6.437 1.00 0.00 O ATOM 715 CB SER A 44 -5.938 -8.294 4.447 1.00 0.00 C ATOM 716 OG SER A 44 -7.248 -7.887 4.075 1.00 0.00 O ATOM 0 H SER A 44 -4.238 -7.305 6.737 1.00 0.00 H new ATOM 0 HA SER A 44 -4.688 -6.608 3.966 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.454 -8.806 3.615 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.986 -9.003 5.273 1.00 0.00 H new ATOM 0 HG SER A 44 -7.772 -8.672 3.812 1.00 0.00 H new ATOM 722 N HIS A 45 -6.000 -4.814 5.101 1.00 0.00 N ATOM 723 CA HIS A 45 -6.866 -3.813 5.696 1.00 0.00 C ATOM 724 C HIS A 45 -7.759 -3.208 4.613 1.00 0.00 C ATOM 725 O HIS A 45 -7.286 -2.585 3.679 1.00 0.00 O ATOM 726 CB HIS A 45 -6.068 -2.675 6.350 1.00 0.00 C ATOM 727 CG HIS A 45 -4.583 -2.866 6.200 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.784 -3.094 5.108 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -3.722 -2.761 7.280 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -2.450 -3.128 5.502 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -2.470 -2.920 6.819 1.00 0.00 N flip ATOM 0 H HIS A 45 -5.395 -4.478 4.352 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.457 -4.309 6.466 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.358 -1.725 5.901 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.321 -2.618 7.409 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -4.117 -3.220 4.152 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.006 -2.583 8.307 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.585 -3.288 4.876 1.00 0.00 H new ATOM 739 N MET A 46 -9.047 -3.377 4.737 1.00 0.00 N ATOM 740 CA MET A 46 -9.942 -2.810 3.753 1.00 0.00 C ATOM 741 C MET A 46 -9.761 -1.293 3.781 1.00 0.00 C ATOM 742 O MET A 46 -9.775 -0.681 4.825 1.00 0.00 O ATOM 743 CB MET A 46 -11.392 -3.178 4.083 1.00 0.00 C ATOM 744 CG MET A 46 -11.887 -4.240 3.099 1.00 0.00 C ATOM 745 SD MET A 46 -13.697 -4.278 3.113 1.00 0.00 S ATOM 746 CE MET A 46 -13.894 -5.929 2.400 1.00 0.00 C ATOM 0 H MET A 46 -9.499 -3.892 5.493 1.00 0.00 H new ATOM 0 HA MET A 46 -9.715 -3.201 2.761 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.459 -3.554 5.104 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.025 -2.292 4.027 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.525 -4.018 2.095 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.490 -5.218 3.372 1.00 0.00 H new ATOM 0 HE1 MET A 46 -14.955 -6.165 2.316 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.437 -5.955 1.411 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.409 -6.663 3.043 1.00 0.00 H new ATOM 756 N TYR A 47 -9.520 -0.686 2.658 1.00 0.00 N ATOM 757 CA TYR A 47 -9.289 0.743 2.671 1.00 0.00 C ATOM 758 C TYR A 47 -10.358 1.443 3.549 1.00 0.00 C ATOM 759 O TYR A 47 -10.020 2.248 4.382 1.00 0.00 O ATOM 760 CB TYR A 47 -9.266 1.292 1.238 1.00 0.00 C ATOM 761 CG TYR A 47 -7.851 1.193 0.661 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.720 1.346 1.491 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.660 0.970 -0.718 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.434 1.280 0.949 1.00 0.00 C ATOM 765 CE2 TYR A 47 -6.370 0.901 -1.244 1.00 0.00 C ATOM 766 CZ TYR A 47 -5.259 1.059 -0.415 1.00 0.00 C ATOM 767 OH TYR A 47 -3.987 0.996 -0.946 1.00 0.00 O ATOM 0 H TYR A 47 -9.477 -1.133 1.742 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.314 0.951 3.111 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.962 0.731 0.614 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.598 2.330 1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.849 1.515 2.550 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.514 0.852 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.573 1.401 1.590 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.230 0.724 -2.300 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.385 1.563 -0.421 1.00 0.00 H new ATOM 777 N ALA A 48 -11.629 1.127 3.417 1.00 0.00 N ATOM 778 CA ALA A 48 -12.631 1.760 4.290 1.00 0.00 C ATOM 779 C ALA A 48 -12.401 1.262 5.735 1.00 0.00 C ATOM 780 O ALA A 48 -12.646 1.946 6.709 1.00 0.00 O ATOM 781 CB ALA A 48 -14.036 1.377 3.820 1.00 0.00 C ATOM 0 H ALA A 48 -11.998 0.459 2.740 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.535 2.845 4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.777 1.846 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.182 1.717 2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.151 0.294 3.863 1.00 0.00 H new ATOM 787 N ASP A 49 -11.869 0.077 5.828 1.00 0.00 N ATOM 788 CA ASP A 49 -11.526 -0.521 7.120 1.00 0.00 C ATOM 789 C ASP A 49 -10.398 0.307 7.763 1.00 0.00 C ATOM 790 O ASP A 49 -10.005 0.083 8.890 1.00 0.00 O ATOM 791 CB ASP A 49 -11.066 -1.970 6.953 1.00 0.00 C ATOM 792 CG ASP A 49 -12.255 -2.909 7.166 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.354 -2.410 7.344 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.046 -4.111 7.147 1.00 0.00 O ATOM 0 H ASP A 49 -11.655 -0.513 5.024 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.411 -0.519 7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.646 -2.117 5.958 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.276 -2.197 7.669 1.00 0.00 H new ATOM 799 N ILE A 50 -9.902 1.277 7.042 1.00 0.00 N ATOM 800 CA ILE A 50 -8.859 2.128 7.562 1.00 0.00 C ATOM 801 C ILE A 50 -9.108 3.563 7.067 1.00 0.00 C ATOM 802 O ILE A 50 -9.402 3.757 5.909 1.00 0.00 O ATOM 803 CB ILE A 50 -7.516 1.634 7.032 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.580 1.513 5.508 1.00 0.00 C ATOM 805 CG2 ILE A 50 -7.205 0.263 7.631 1.00 0.00 C ATOM 806 CD1 ILE A 50 -6.217 1.064 4.977 1.00 0.00 C ATOM 0 H ILE A 50 -10.202 1.500 6.093 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.854 2.107 8.652 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.736 2.343 7.311 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.349 0.796 5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.857 2.471 5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.246 -0.090 7.253 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.160 0.342 8.717 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.987 -0.442 7.351 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.260 0.977 3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.460 1.798 5.252 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.959 0.097 5.408 1.00 0.00 H new ATOM 818 N LYS A 51 -8.977 4.591 7.879 1.00 0.00 N ATOM 819 CA LYS A 51 -9.202 5.900 7.309 1.00 0.00 C ATOM 820 C LYS A 51 -8.102 6.873 7.681 1.00 0.00 C ATOM 821 O LYS A 51 -8.052 7.435 8.758 1.00 0.00 O ATOM 822 CB LYS A 51 -10.529 6.480 7.762 1.00 0.00 C ATOM 823 CG LYS A 51 -11.017 7.408 6.652 1.00 0.00 C ATOM 824 CD LYS A 51 -10.131 8.657 6.596 1.00 0.00 C ATOM 825 CE LYS A 51 -10.086 9.323 7.974 1.00 0.00 C ATOM 826 NZ LYS A 51 -10.387 10.775 7.830 1.00 0.00 N ATOM 0 H LYS A 51 -8.733 4.556 8.869 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.210 5.763 6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.253 5.686 7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.411 7.027 8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.992 6.889 5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.053 7.693 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.124 8.386 6.280 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.520 9.357 5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.810 8.854 8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.103 9.187 8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.357 11.230 8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.680 11.216 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.334 10.894 7.417 1.00 0.00 H new ATOM 840 N CYS A 52 -7.263 7.100 6.735 1.00 0.00 N ATOM 841 CA CYS A 52 -6.188 8.042 6.860 1.00 0.00 C ATOM 842 C CYS A 52 -5.348 7.877 5.621 1.00 0.00 C ATOM 843 O CYS A 52 -5.036 6.766 5.251 1.00 0.00 O ATOM 844 CB CYS A 52 -5.371 7.752 8.086 1.00 0.00 C ATOM 845 SG CYS A 52 -5.689 9.023 9.338 1.00 0.00 S ATOM 0 H CYS A 52 -7.298 6.631 5.830 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.563 9.061 6.959 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.623 6.767 8.480 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.311 7.732 7.833 1.00 0.00 H new ATOM 0 HG CYS A 52 -6.925 8.943 9.733 1.00 0.00 H new ATOM 851 N GLN A 53 -4.987 8.922 4.966 1.00 0.00 N ATOM 852 CA GLN A 53 -4.209 8.736 3.764 1.00 0.00 C ATOM 853 C GLN A 53 -3.180 9.851 3.627 1.00 0.00 C ATOM 854 O GLN A 53 -3.479 11.022 3.756 1.00 0.00 O ATOM 855 CB GLN A 53 -5.131 8.777 2.539 1.00 0.00 C ATOM 856 CG GLN A 53 -5.937 7.477 2.413 1.00 0.00 C ATOM 857 CD GLN A 53 -7.062 7.469 3.447 1.00 0.00 C ATOM 858 OE1 GLN A 53 -7.305 8.462 4.101 1.00 0.00 O ATOM 859 NE2 GLN A 53 -7.764 6.383 3.622 1.00 0.00 N ATOM 0 H GLN A 53 -5.201 9.887 5.218 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.704 7.772 3.825 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.812 9.625 2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.537 8.930 1.638 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.352 7.390 1.409 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.285 6.617 2.564 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.559 5.549 3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.518 6.368 4.309 1.00 0.00 H new ATOM 868 N LYS A 54 -1.961 9.478 3.366 1.00 0.00 N ATOM 869 CA LYS A 54 -0.911 10.456 3.219 1.00 0.00 C ATOM 870 C LYS A 54 0.130 9.901 2.241 1.00 0.00 C ATOM 871 O LYS A 54 0.815 8.940 2.532 1.00 0.00 O ATOM 872 CB LYS A 54 -0.285 10.709 4.602 1.00 0.00 C ATOM 873 CG LYS A 54 1.208 11.037 4.479 1.00 0.00 C ATOM 874 CD LYS A 54 1.579 12.120 5.495 1.00 0.00 C ATOM 875 CE LYS A 54 2.341 11.488 6.661 1.00 0.00 C ATOM 876 NZ LYS A 54 2.378 12.442 7.806 1.00 0.00 N ATOM 0 H LYS A 54 -1.665 8.509 3.250 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.296 11.398 2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.802 11.533 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.417 9.829 5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.803 10.141 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.434 11.378 3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.192 12.885 5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.679 12.614 5.860 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.858 10.559 6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.355 11.235 6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.896 12.013 8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.857 13.317 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.407 12.662 8.106 1.00 0.00 H new ATOM 890 N ILE A 55 0.266 10.502 1.091 1.00 0.00 N ATOM 891 CA ILE A 55 1.251 10.014 0.145 1.00 0.00 C ATOM 892 C ILE A 55 1.931 11.200 -0.533 1.00 0.00 C ATOM 893 O ILE A 55 1.401 11.801 -1.446 1.00 0.00 O ATOM 894 CB ILE A 55 0.574 9.147 -0.924 1.00 0.00 C ATOM 895 CG1 ILE A 55 -0.903 9.535 -1.056 1.00 0.00 C ATOM 896 CG2 ILE A 55 0.677 7.675 -0.530 1.00 0.00 C ATOM 897 CD1 ILE A 55 -1.012 10.945 -1.638 1.00 0.00 C ATOM 0 H ILE A 55 -0.274 11.311 0.784 1.00 0.00 H new ATOM 0 HA ILE A 55 1.988 9.415 0.679 1.00 0.00 H new ATOM 0 HB ILE A 55 1.074 9.307 -1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.420 8.824 -1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.389 9.494 -0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.196 7.060 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.727 7.393 -0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.182 7.520 0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.063 11.220 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.510 11.651 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.542 10.970 -2.621 1.00 0.00 H new ATOM 909 N SER A 56 3.115 11.524 -0.105 1.00 0.00 N ATOM 910 CA SER A 56 3.831 12.623 -0.718 1.00 0.00 C ATOM 911 C SER A 56 5.166 12.139 -1.303 1.00 0.00 C ATOM 912 O SER A 56 6.110 12.901 -1.349 1.00 0.00 O ATOM 913 CB SER A 56 4.102 13.700 0.332 1.00 0.00 C ATOM 914 OG SER A 56 3.061 14.668 0.291 1.00 0.00 O ATOM 0 H SER A 56 3.607 11.055 0.655 1.00 0.00 H new ATOM 0 HA SER A 56 3.221 13.031 -1.524 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.158 13.251 1.324 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.064 14.176 0.142 1.00 0.00 H new ATOM 0 HG SER A 56 3.231 15.360 0.964 1.00 0.00 H new ATOM 920 N PRO A 57 5.231 10.890 -1.715 1.00 0.00 N ATOM 921 CA PRO A 57 6.540 10.438 -2.240 1.00 0.00 C ATOM 922 C PRO A 57 6.980 11.251 -3.453 1.00 0.00 C ATOM 923 O PRO A 57 8.104 11.140 -3.901 1.00 0.00 O ATOM 924 CB PRO A 57 6.387 8.959 -2.576 1.00 0.00 C ATOM 925 CG PRO A 57 4.936 8.553 -2.247 1.00 0.00 C ATOM 926 CD PRO A 57 4.214 9.805 -1.732 1.00 0.00 C ATOM 0 HA PRO A 57 7.323 10.586 -1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 57 6.605 8.781 -3.629 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.092 8.360 -1.999 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.437 8.160 -3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.919 7.764 -1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.377 10.066 -2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.806 9.637 -0.735 1.00 0.00 H new ATOM 934 N GLU A 58 6.137 12.091 -3.974 1.00 0.00 N ATOM 935 CA GLU A 58 6.558 12.893 -5.095 1.00 0.00 C ATOM 936 C GLU A 58 7.785 13.700 -4.659 1.00 0.00 C ATOM 937 O GLU A 58 8.550 14.179 -5.473 1.00 0.00 O ATOM 938 CB GLU A 58 5.432 13.845 -5.503 1.00 0.00 C ATOM 939 CG GLU A 58 5.220 13.767 -7.016 1.00 0.00 C ATOM 940 CD GLU A 58 4.593 15.071 -7.511 1.00 0.00 C ATOM 941 OE1 GLU A 58 4.454 15.981 -6.709 1.00 0.00 O ATOM 942 OE2 GLU A 58 4.263 15.139 -8.683 1.00 0.00 O ATOM 0 H GLU A 58 5.179 12.241 -3.656 1.00 0.00 H new ATOM 0 HA GLU A 58 6.801 12.258 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.512 13.581 -4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.681 14.866 -5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.172 13.595 -7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.573 12.924 -7.260 1.00 0.00 H new ATOM 949 N GLY A 59 7.987 13.836 -3.369 1.00 0.00 N ATOM 950 CA GLY A 59 9.139 14.570 -2.879 1.00 0.00 C ATOM 951 C GLY A 59 9.707 13.886 -1.623 1.00 0.00 C ATOM 952 O GLY A 59 10.338 14.522 -0.803 1.00 0.00 O ATOM 0 H GLY A 59 7.379 13.455 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.905 14.619 -3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.854 15.596 -2.646 1.00 0.00 H new ATOM 956 N LYS A 60 9.484 12.605 -1.449 1.00 0.00 N ATOM 957 CA LYS A 60 10.002 11.944 -0.255 1.00 0.00 C ATOM 958 C LYS A 60 11.383 11.335 -0.536 1.00 0.00 C ATOM 959 O LYS A 60 12.354 12.043 -0.714 1.00 0.00 O ATOM 960 CB LYS A 60 9.037 10.840 0.215 1.00 0.00 C ATOM 961 CG LYS A 60 7.745 11.451 0.782 1.00 0.00 C ATOM 962 CD LYS A 60 8.053 12.735 1.564 1.00 0.00 C ATOM 963 CE LYS A 60 9.110 12.449 2.633 1.00 0.00 C ATOM 964 NZ LYS A 60 9.941 13.669 2.848 1.00 0.00 N ATOM 0 H LYS A 60 8.965 12.007 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 60 10.095 12.692 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.797 10.181 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.520 10.228 0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.053 11.671 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.252 10.731 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.410 13.509 0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.144 13.115 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.629 12.154 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.741 11.616 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.888 13.519 2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.491 14.482 2.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.024 13.857 3.867 1.00 0.00 H new ATOM 978 N ALA A 61 11.482 10.031 -0.571 1.00 0.00 N ATOM 979 CA ALA A 61 12.763 9.409 -0.824 1.00 0.00 C ATOM 980 C ALA A 61 12.677 8.601 -2.116 1.00 0.00 C ATOM 981 O ALA A 61 13.506 8.728 -2.995 1.00 0.00 O ATOM 982 CB ALA A 61 13.119 8.480 0.339 1.00 0.00 C ATOM 0 H ALA A 61 10.706 9.384 -0.430 1.00 0.00 H new ATOM 0 HA ALA A 61 13.532 10.175 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.084 8.011 0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.172 9.057 1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.354 7.709 0.436 1.00 0.00 H new ATOM 988 N LYS A 62 11.654 7.804 -2.259 1.00 0.00 N ATOM 989 CA LYS A 62 11.502 7.052 -3.485 1.00 0.00 C ATOM 990 C LYS A 62 10.166 6.354 -3.529 1.00 0.00 C ATOM 991 O LYS A 62 10.071 5.418 -4.257 1.00 0.00 O ATOM 992 CB LYS A 62 12.566 5.956 -3.635 1.00 0.00 C ATOM 993 CG LYS A 62 12.620 5.125 -2.353 1.00 0.00 C ATOM 994 CD LYS A 62 13.750 5.619 -1.447 1.00 0.00 C ATOM 995 CE LYS A 62 15.100 5.341 -2.109 1.00 0.00 C ATOM 996 NZ LYS A 62 15.080 3.987 -2.730 1.00 0.00 N ATOM 0 H LYS A 62 10.925 7.656 -1.561 1.00 0.00 H new ATOM 0 HA LYS A 62 11.600 7.783 -4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.329 5.318 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.540 6.403 -3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.667 5.193 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.775 4.074 -2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.639 6.687 -1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.699 5.119 -0.480 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.308 6.097 -2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.899 5.402 -1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.051 3.700 -2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.672 3.304 -2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.503 4.010 -3.595 1.00 0.00 H new ATOM 1010 N ILE A 63 9.141 6.827 -2.837 1.00 0.00 N ATOM 1011 CA ILE A 63 7.796 6.218 -2.872 1.00 0.00 C ATOM 1012 C ILE A 63 7.402 5.572 -1.533 1.00 0.00 C ATOM 1013 O ILE A 63 7.466 4.372 -1.353 1.00 0.00 O ATOM 1014 CB ILE A 63 7.567 5.238 -4.021 1.00 0.00 C ATOM 1015 CG1 ILE A 63 6.138 4.722 -3.947 1.00 0.00 C ATOM 1016 CG2 ILE A 63 8.457 4.004 -3.922 1.00 0.00 C ATOM 1017 CD1 ILE A 63 5.424 4.987 -5.273 1.00 0.00 C ATOM 0 H ILE A 63 9.206 7.645 -2.231 1.00 0.00 H new ATOM 0 HA ILE A 63 7.137 7.066 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 63 7.786 5.778 -4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.138 3.654 -3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.606 5.213 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.254 3.341 -4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.504 4.308 -3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.250 3.480 -2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.401 4.616 -5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.411 6.059 -5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.951 4.476 -6.079 1.00 0.00 H new ATOM 1029 N GLN A 64 6.955 6.390 -0.610 1.00 0.00 N ATOM 1030 CA GLN A 64 6.508 5.915 0.685 1.00 0.00 C ATOM 1031 C GLN A 64 5.069 6.400 0.894 1.00 0.00 C ATOM 1032 O GLN A 64 4.759 7.547 0.639 1.00 0.00 O ATOM 1033 CB GLN A 64 7.407 6.490 1.790 1.00 0.00 C ATOM 1034 CG GLN A 64 7.080 7.971 2.005 1.00 0.00 C ATOM 1035 CD GLN A 64 7.907 8.511 3.172 1.00 0.00 C ATOM 1036 OE1 GLN A 64 9.078 7.992 3.421 1.00 0.00 O flip ATOM 1037 NE2 GLN A 64 7.483 9.415 3.866 1.00 0.00 N flip ATOM 0 H GLN A 64 6.890 7.401 -0.731 1.00 0.00 H new ATOM 0 HA GLN A 64 6.556 4.827 0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.258 5.937 2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.456 6.376 1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.296 8.537 1.099 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.017 8.094 2.211 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.568 9.821 3.672 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.043 9.767 4.643 1.00 0.00 H new ATOM 1046 N LEU A 65 4.182 5.557 1.349 1.00 0.00 N ATOM 1047 CA LEU A 65 2.817 6.013 1.547 1.00 0.00 C ATOM 1048 C LEU A 65 2.368 5.713 2.990 1.00 0.00 C ATOM 1049 O LEU A 65 3.024 4.980 3.707 1.00 0.00 O ATOM 1050 CB LEU A 65 1.881 5.362 0.505 1.00 0.00 C ATOM 1051 CG LEU A 65 1.927 3.822 0.544 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.280 3.325 0.044 1.00 0.00 C ATOM 1053 CD2 LEU A 65 1.684 3.298 1.962 1.00 0.00 C ATOM 0 H LEU A 65 4.362 4.581 1.585 1.00 0.00 H new ATOM 0 HA LEU A 65 2.768 7.092 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.859 5.695 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.159 5.705 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 65 1.136 3.447 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.302 2.236 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.435 3.661 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.071 3.722 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.722 2.209 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.453 3.686 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.704 3.626 2.308 1.00 0.00 H new ATOM 1065 N GLN A 66 1.266 6.276 3.430 1.00 0.00 N ATOM 1066 CA GLN A 66 0.823 6.021 4.799 1.00 0.00 C ATOM 1067 C GLN A 66 -0.712 6.064 4.910 1.00 0.00 C ATOM 1068 O GLN A 66 -1.373 6.909 4.339 1.00 0.00 O ATOM 1069 CB GLN A 66 1.426 7.072 5.734 1.00 0.00 C ATOM 1070 CG GLN A 66 1.973 6.387 6.990 1.00 0.00 C ATOM 1071 CD GLN A 66 2.793 7.390 7.803 1.00 0.00 C ATOM 1072 OE1 GLN A 66 2.708 7.380 9.105 1.00 0.00 O flip ATOM 1073 NE2 GLN A 66 3.519 8.191 7.248 1.00 0.00 N flip ATOM 0 H GLN A 66 0.668 6.898 2.885 1.00 0.00 H new ATOM 0 HA GLN A 66 1.159 5.024 5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.224 7.612 5.225 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.669 7.807 6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.152 6.000 7.593 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.593 5.535 6.711 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.586 8.199 6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.062 8.855 7.800 1.00 0.00 H new ATOM 1082 N LEU A 67 -1.268 5.133 5.646 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.707 5.063 5.817 1.00 0.00 C ATOM 1084 C LEU A 67 -2.990 4.762 7.282 1.00 0.00 C ATOM 1085 O LEU A 67 -2.209 4.110 7.947 1.00 0.00 O ATOM 1086 CB LEU A 67 -3.260 3.923 4.952 1.00 0.00 C ATOM 1087 CG LEU A 67 -4.464 4.405 4.138 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -4.634 3.511 2.908 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -5.730 4.320 4.995 1.00 0.00 C ATOM 0 H LEU A 67 -0.747 4.408 6.140 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.176 6.002 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.483 3.557 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.553 3.086 5.586 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.300 5.437 3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.491 3.852 2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.735 3.562 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.798 2.481 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.586 4.663 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.892 3.287 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.615 4.949 5.878 1.00 0.00 H new ATOM 1101 N VAL A 68 -4.097 5.202 7.797 1.00 0.00 N ATOM 1102 CA VAL A 68 -4.376 4.892 9.193 1.00 0.00 C ATOM 1103 C VAL A 68 -5.731 4.247 9.338 1.00 0.00 C ATOM 1104 O VAL A 68 -6.591 4.325 8.485 1.00 0.00 O ATOM 1105 CB VAL A 68 -4.283 6.101 10.123 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.132 5.615 11.557 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -3.048 6.901 9.793 1.00 0.00 C ATOM 0 H VAL A 68 -4.803 5.754 7.310 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.595 4.196 9.499 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.180 6.708 10.003 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.065 6.472 12.227 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.996 5.009 11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.226 5.015 11.644 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.984 7.763 10.458 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.164 6.276 9.923 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.102 7.243 8.760 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.889 3.566 10.415 1.00 0.00 N ATOM 1118 CA LEU A 69 -7.101 2.850 10.673 1.00 0.00 C ATOM 1119 C LEU A 69 -8.020 3.701 11.539 1.00 0.00 C ATOM 1120 O LEU A 69 -7.566 4.341 12.467 1.00 0.00 O ATOM 1121 CB LEU A 69 -6.711 1.565 11.433 1.00 0.00 C ATOM 1122 CG LEU A 69 -5.506 0.842 10.755 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -5.813 -0.626 10.540 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -5.158 1.427 9.386 1.00 0.00 C ATOM 0 H LEU A 69 -5.185 3.485 11.148 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.623 2.612 9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.454 1.814 12.463 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.566 0.890 11.472 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.664 0.980 11.434 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.959 -1.111 10.066 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.012 -1.101 11.501 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.688 -0.724 9.898 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.313 0.884 8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.017 1.335 8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.895 2.479 9.496 1.00 0.00 H new ATOM 1136 N HIS A 70 -9.315 3.689 11.286 1.00 0.00 N ATOM 1137 CA HIS A 70 -10.217 4.449 12.144 1.00 0.00 C ATOM 1138 C HIS A 70 -9.794 4.122 13.579 1.00 0.00 C ATOM 1139 O HIS A 70 -9.834 4.932 14.483 1.00 0.00 O ATOM 1140 CB HIS A 70 -11.661 3.996 11.904 1.00 0.00 C ATOM 1141 CG HIS A 70 -11.721 2.490 11.873 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -11.730 1.729 13.032 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -11.778 1.589 10.834 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -11.789 0.435 12.668 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -11.820 0.293 11.341 1.00 0.00 N ATOM 0 H HIS A 70 -9.759 3.181 10.521 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.167 5.519 11.944 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.309 4.379 12.692 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -12.029 4.404 10.963 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.789 1.848 9.786 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.809 -0.389 13.365 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.865 -0.578 10.812 1.00 0.00 H new ATOM 1153 N ALA A 71 -9.323 2.916 13.723 1.00 0.00 N ATOM 1154 CA ALA A 71 -8.813 2.462 14.987 1.00 0.00 C ATOM 1155 C ALA A 71 -7.512 3.227 15.256 1.00 0.00 C ATOM 1156 O ALA A 71 -7.314 4.324 14.775 1.00 0.00 O ATOM 1157 CB ALA A 71 -8.532 0.959 14.928 1.00 0.00 C ATOM 0 H ALA A 71 -9.281 2.224 12.975 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.537 2.641 15.782 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.146 0.623 15.890 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.455 0.425 14.701 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.795 0.757 14.151 1.00 0.00 H new ATOM 1163 N GLY A 72 -6.646 2.673 16.041 1.00 0.00 N ATOM 1164 CA GLY A 72 -5.401 3.355 16.368 1.00 0.00 C ATOM 1165 C GLY A 72 -4.255 2.614 15.708 1.00 0.00 C ATOM 1166 O GLY A 72 -3.312 2.183 16.342 1.00 0.00 O ATOM 0 H GLY A 72 -6.761 1.756 16.474 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.433 4.388 16.021 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.259 3.386 17.448 1.00 0.00 H new ATOM 1170 N ASP A 73 -4.361 2.443 14.435 1.00 0.00 N ATOM 1171 CA ASP A 73 -3.337 1.721 13.734 1.00 0.00 C ATOM 1172 C ASP A 73 -2.977 2.435 12.446 1.00 0.00 C ATOM 1173 O ASP A 73 -3.821 2.798 11.657 1.00 0.00 O ATOM 1174 CB ASP A 73 -3.826 0.305 13.431 1.00 0.00 C ATOM 1175 CG ASP A 73 -3.491 -0.615 14.606 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -2.719 -0.201 15.455 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -4.013 -1.717 14.637 1.00 0.00 O ATOM 0 H ASP A 73 -5.131 2.784 13.859 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.446 1.668 14.360 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.902 0.311 13.255 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.356 -0.066 12.520 1.00 0.00 H new ATOM 1182 N THR A 74 -1.717 2.628 12.234 1.00 0.00 N ATOM 1183 CA THR A 74 -1.293 3.292 11.033 1.00 0.00 C ATOM 1184 C THR A 74 -0.676 2.251 10.130 1.00 0.00 C ATOM 1185 O THR A 74 -0.240 1.208 10.574 1.00 0.00 O ATOM 1186 CB THR A 74 -0.258 4.376 11.346 1.00 0.00 C ATOM 1187 OG1 THR A 74 -0.558 4.971 12.600 1.00 0.00 O ATOM 1188 CG2 THR A 74 -0.292 5.442 10.246 1.00 0.00 C ATOM 0 H THR A 74 -0.967 2.342 12.864 1.00 0.00 H new ATOM 0 HA THR A 74 -2.147 3.772 10.554 1.00 0.00 H new ATOM 0 HB THR A 74 0.736 3.931 11.389 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.106 5.664 12.801 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.444 6.215 10.466 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.059 4.982 9.286 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.285 5.888 10.202 1.00 0.00 H new ATOM 1196 N THR A 75 -0.616 2.523 8.872 1.00 0.00 N ATOM 1197 CA THR A 75 -0.026 1.585 7.969 1.00 0.00 C ATOM 1198 C THR A 75 0.992 2.365 7.160 1.00 0.00 C ATOM 1199 O THR A 75 0.639 3.184 6.334 1.00 0.00 O ATOM 1200 CB THR A 75 -1.099 1.003 7.044 1.00 0.00 C ATOM 1201 OG1 THR A 75 -2.379 1.178 7.636 1.00 0.00 O ATOM 1202 CG2 THR A 75 -0.836 -0.488 6.824 1.00 0.00 C ATOM 0 H THR A 75 -0.965 3.380 8.443 1.00 0.00 H new ATOM 0 HA THR A 75 0.438 0.754 8.500 1.00 0.00 H new ATOM 0 HB THR A 75 -1.068 1.519 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.067 0.807 7.044 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.601 -0.899 6.165 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.145 -0.621 6.368 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.864 -1.008 7.782 1.00 0.00 H new ATOM 1210 N ASN A 76 2.246 2.132 7.374 1.00 0.00 N ATOM 1211 CA ASN A 76 3.235 2.852 6.621 1.00 0.00 C ATOM 1212 C ASN A 76 3.855 1.864 5.665 1.00 0.00 C ATOM 1213 O ASN A 76 4.248 0.782 6.054 1.00 0.00 O ATOM 1214 CB ASN A 76 4.310 3.400 7.558 1.00 0.00 C ATOM 1215 CG ASN A 76 3.666 4.326 8.591 1.00 0.00 C ATOM 1216 OD1 ASN A 76 2.464 4.322 8.763 1.00 0.00 O ATOM 1217 ND2 ASN A 76 4.423 5.125 9.292 1.00 0.00 N ATOM 0 H ASN A 76 2.611 1.462 8.051 1.00 0.00 H new ATOM 0 HA ASN A 76 2.786 3.692 6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.822 2.579 8.060 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.062 3.943 6.986 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.005 5.746 9.985 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.433 5.128 9.147 1.00 0.00 H new ATOM 1224 N PHE A 77 3.948 2.194 4.421 1.00 0.00 N ATOM 1225 CA PHE A 77 4.525 1.251 3.515 1.00 0.00 C ATOM 1226 C PHE A 77 5.482 1.971 2.577 1.00 0.00 C ATOM 1227 O PHE A 77 5.320 3.134 2.264 1.00 0.00 O ATOM 1228 CB PHE A 77 3.414 0.525 2.755 1.00 0.00 C ATOM 1229 CG PHE A 77 3.456 -0.922 3.165 1.00 0.00 C ATOM 1230 CD1 PHE A 77 4.689 -1.565 3.179 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.292 -1.626 3.533 1.00 0.00 C ATOM 1232 CE1 PHE A 77 4.782 -2.893 3.548 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.390 -2.961 3.903 1.00 0.00 C ATOM 1234 CZ PHE A 77 3.640 -3.588 3.906 1.00 0.00 C ATOM 0 H PHE A 77 3.644 3.079 4.014 1.00 0.00 H new ATOM 0 HA PHE A 77 5.096 0.501 4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.442 0.961 2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.558 0.623 1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.580 -1.022 2.899 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.332 -1.132 3.527 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.742 -3.387 3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.506 -3.512 4.187 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.715 -4.627 4.191 1.00 0.00 H new ATOM 1244 N HIS A 78 6.514 1.294 2.178 1.00 0.00 N ATOM 1245 CA HIS A 78 7.494 1.933 1.339 1.00 0.00 C ATOM 1246 C HIS A 78 8.142 0.939 0.394 1.00 0.00 C ATOM 1247 O HIS A 78 8.065 -0.256 0.546 1.00 0.00 O ATOM 1248 CB HIS A 78 8.587 2.566 2.217 1.00 0.00 C ATOM 1249 CG HIS A 78 9.582 3.298 1.351 1.00 0.00 C ATOM 1250 ND1 HIS A 78 9.487 4.421 0.556 1.00 0.00 N flip ATOM 1251 CD2 HIS A 78 10.883 2.854 1.207 1.00 0.00 C flip ATOM 1252 CE1 HIS A 78 10.699 4.662 -0.058 1.00 0.00 C flip ATOM 1253 NE2 HIS A 78 11.501 3.689 0.354 1.00 0.00 N flip ATOM 0 H HIS A 78 6.703 0.319 2.411 1.00 0.00 H new ATOM 0 HA HIS A 78 6.986 2.697 0.750 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.138 3.255 2.932 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.094 1.793 2.795 1.00 0.00 H new ATOM 0 HD2 HIS A 78 11.322 1.994 1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.943 5.471 -0.731 1.00 0.00 H new ATOM 0 HE2 HIS A 78 12.472 3.587 0.058 1.00 0.00 H new ATOM 1261 N PHE A 79 8.786 1.476 -0.574 1.00 0.00 N ATOM 1262 CA PHE A 79 9.479 0.689 -1.553 1.00 0.00 C ATOM 1263 C PHE A 79 10.896 1.236 -1.591 1.00 0.00 C ATOM 1264 O PHE A 79 11.067 2.418 -1.496 1.00 0.00 O ATOM 1265 CB PHE A 79 8.788 0.894 -2.873 1.00 0.00 C ATOM 1266 CG PHE A 79 7.313 0.572 -2.722 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.848 -0.736 -2.900 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.404 1.598 -2.397 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.484 -1.018 -2.754 1.00 0.00 C ATOM 1270 CE2 PHE A 79 5.038 1.312 -2.250 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.583 0.001 -2.429 1.00 0.00 C ATOM 0 H PHE A 79 8.854 2.483 -0.721 1.00 0.00 H new ATOM 0 HA PHE A 79 9.489 -0.378 -1.328 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.915 1.924 -3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.236 0.255 -3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.540 -1.527 -3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 79 6.760 2.609 -2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.126 -2.027 -2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.342 2.099 -2.000 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.533 -0.225 -2.316 1.00 0.00 H new ATOM 1281 N SER A 80 11.926 0.456 -1.757 1.00 0.00 N ATOM 1282 CA SER A 80 13.242 1.063 -1.768 1.00 0.00 C ATOM 1283 C SER A 80 14.269 0.038 -2.245 1.00 0.00 C ATOM 1284 O SER A 80 14.384 -1.038 -1.694 1.00 0.00 O ATOM 1285 CB SER A 80 13.586 1.498 -0.349 1.00 0.00 C ATOM 1286 OG SER A 80 14.379 2.677 -0.395 1.00 0.00 O ATOM 0 H SER A 80 11.896 -0.556 -1.882 1.00 0.00 H new ATOM 0 HA SER A 80 13.253 1.923 -2.438 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.673 1.682 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.126 0.703 0.166 1.00 0.00 H new ATOM 0 HG SER A 80 14.348 3.126 0.475 1.00 0.00 H new ATOM 1292 N ASN A 81 15.011 0.354 -3.265 1.00 0.00 N ATOM 1293 CA ASN A 81 15.991 -0.588 -3.755 1.00 0.00 C ATOM 1294 C ASN A 81 17.155 0.169 -4.380 1.00 0.00 C ATOM 1295 O ASN A 81 17.082 1.362 -4.597 1.00 0.00 O ATOM 1296 CB ASN A 81 15.335 -1.480 -4.805 1.00 0.00 C ATOM 1297 CG ASN A 81 14.300 -2.362 -4.123 1.00 0.00 C ATOM 1298 OD1 ASN A 81 13.120 -2.072 -4.151 1.00 0.00 O ATOM 1299 ND2 ASN A 81 14.691 -3.435 -3.508 1.00 0.00 N ATOM 0 H ASN A 81 14.964 1.239 -3.771 1.00 0.00 H new ATOM 0 HA ASN A 81 16.363 -1.199 -2.933 1.00 0.00 H new ATOM 0 HB2 ASN A 81 14.863 -0.871 -5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 81 16.087 -2.095 -5.301 1.00 0.00 H new ATOM 0 HD21 ASN A 81 14.008 -4.036 -3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 81 15.682 -3.677 -3.485 1.00 0.00 H new ATOM 1306 N GLU A 82 18.223 -0.512 -4.695 1.00 0.00 N ATOM 1307 CA GLU A 82 19.340 0.167 -5.315 1.00 0.00 C ATOM 1308 C GLU A 82 18.794 1.003 -6.471 1.00 0.00 C ATOM 1309 O GLU A 82 19.097 2.172 -6.608 1.00 0.00 O ATOM 1310 CB GLU A 82 20.341 -0.861 -5.845 1.00 0.00 C ATOM 1311 CG GLU A 82 21.733 -0.551 -5.292 1.00 0.00 C ATOM 1312 CD GLU A 82 22.227 0.778 -5.868 1.00 0.00 C ATOM 1313 OE1 GLU A 82 22.734 0.768 -6.977 1.00 0.00 O ATOM 1314 OE2 GLU A 82 22.088 1.783 -5.190 1.00 0.00 O ATOM 0 H GLU A 82 18.348 -1.512 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 82 19.849 0.804 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.037 -1.866 -5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 82 20.358 -0.839 -6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 82 21.700 -0.498 -4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 82 22.426 -1.352 -5.551 1.00 0.00 H new ATOM 1321 N SER A 83 17.973 0.408 -7.295 1.00 0.00 N ATOM 1322 CA SER A 83 17.403 1.144 -8.403 1.00 0.00 C ATOM 1323 C SER A 83 16.021 0.584 -8.765 1.00 0.00 C ATOM 1324 O SER A 83 15.512 0.848 -9.836 1.00 0.00 O ATOM 1325 CB SER A 83 18.318 1.030 -9.615 1.00 0.00 C ATOM 1326 OG SER A 83 19.670 1.176 -9.201 1.00 0.00 O ATOM 0 H SER A 83 17.685 -0.568 -7.227 1.00 0.00 H new ATOM 0 HA SER A 83 17.299 2.189 -8.110 1.00 0.00 H new ATOM 0 HB2 SER A 83 18.177 0.065 -10.101 1.00 0.00 H new ATOM 0 HB3 SER A 83 18.066 1.796 -10.348 1.00 0.00 H new ATOM 0 HG SER A 83 20.260 1.101 -9.980 1.00 0.00 H new ATOM 1332 N THR A 84 15.398 -0.187 -7.906 1.00 0.00 N ATOM 1333 CA THR A 84 14.094 -0.716 -8.255 1.00 0.00 C ATOM 1334 C THR A 84 13.010 0.071 -7.517 1.00 0.00 C ATOM 1335 O THR A 84 11.832 -0.179 -7.680 1.00 0.00 O ATOM 1336 CB THR A 84 14.008 -2.196 -7.863 1.00 0.00 C ATOM 1337 OG1 THR A 84 13.496 -2.304 -6.544 1.00 0.00 O ATOM 1338 CG2 THR A 84 15.397 -2.836 -7.928 1.00 0.00 C ATOM 0 H THR A 84 15.754 -0.457 -6.989 1.00 0.00 H new ATOM 0 HA THR A 84 13.946 -0.622 -9.331 1.00 0.00 H new ATOM 0 HB THR A 84 13.346 -2.714 -8.557 1.00 0.00 H new ATOM 0 HG1 THR A 84 13.394 -3.250 -6.309 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.327 -3.887 -7.648 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.787 -2.756 -8.943 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.067 -2.321 -7.240 1.00 0.00 H new ATOM 1346 N ALA A 85 13.390 1.041 -6.730 1.00 0.00 N ATOM 1347 CA ALA A 85 12.404 1.844 -6.032 1.00 0.00 C ATOM 1348 C ALA A 85 12.061 3.054 -6.892 1.00 0.00 C ATOM 1349 O ALA A 85 12.467 4.167 -6.619 1.00 0.00 O ATOM 1350 CB ALA A 85 12.964 2.290 -4.691 1.00 0.00 C ATOM 0 H ALA A 85 14.361 1.298 -6.553 1.00 0.00 H new ATOM 0 HA ALA A 85 11.502 1.259 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 85 12.221 2.893 -4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.208 1.415 -4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.865 2.883 -4.852 1.00 0.00 H new ATOM 1356 N VAL A 86 11.300 2.842 -7.908 1.00 0.00 N ATOM 1357 CA VAL A 86 10.906 3.938 -8.764 1.00 0.00 C ATOM 1358 C VAL A 86 9.559 3.635 -9.455 1.00 0.00 C ATOM 1359 O VAL A 86 8.554 3.445 -8.806 1.00 0.00 O ATOM 1360 CB VAL A 86 12.007 4.197 -9.795 1.00 0.00 C ATOM 1361 CG1 VAL A 86 13.233 4.787 -9.095 1.00 0.00 C ATOM 1362 CG2 VAL A 86 12.394 2.879 -10.470 1.00 0.00 C ATOM 0 H VAL A 86 10.932 1.929 -8.177 1.00 0.00 H new ATOM 0 HA VAL A 86 10.769 4.835 -8.160 1.00 0.00 H new ATOM 0 HB VAL A 86 11.643 4.898 -10.546 1.00 0.00 H new ATOM 0 HG11 VAL A 86 14.017 4.972 -9.829 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.960 5.725 -8.612 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.596 4.085 -8.344 1.00 0.00 H new ATOM 0 HG21 VAL A 86 13.178 3.063 -11.204 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.758 2.178 -9.718 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.522 2.456 -10.969 1.00 0.00 H new ATOM 1372 N LYS A 87 9.544 3.602 -10.773 1.00 0.00 N ATOM 1373 CA LYS A 87 8.316 3.341 -11.518 1.00 0.00 C ATOM 1374 C LYS A 87 7.446 2.294 -10.816 1.00 0.00 C ATOM 1375 O LYS A 87 6.346 2.585 -10.393 1.00 0.00 O ATOM 1376 CB LYS A 87 8.678 2.832 -12.916 1.00 0.00 C ATOM 1377 CG LYS A 87 7.766 3.489 -13.954 1.00 0.00 C ATOM 1378 CD LYS A 87 8.544 3.700 -15.254 1.00 0.00 C ATOM 1379 CE LYS A 87 9.324 5.014 -15.177 1.00 0.00 C ATOM 1380 NZ LYS A 87 8.368 6.155 -15.119 1.00 0.00 N ATOM 0 H LYS A 87 10.367 3.752 -11.356 1.00 0.00 H new ATOM 0 HA LYS A 87 7.750 4.271 -11.580 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.721 3.059 -13.138 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.572 1.748 -12.958 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.894 2.861 -14.137 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.398 4.444 -13.578 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.229 2.868 -15.419 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.858 3.721 -16.101 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.965 5.018 -14.296 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.975 5.115 -16.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.799 6.992 -15.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.497 5.904 -15.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.140 6.367 -14.127 1.00 0.00 H new ATOM 1394 N GLU A 88 7.920 1.074 -10.726 1.00 0.00 N ATOM 1395 CA GLU A 88 7.135 0.013 -10.099 1.00 0.00 C ATOM 1396 C GLU A 88 6.362 0.587 -8.910 1.00 0.00 C ATOM 1397 O GLU A 88 5.159 0.773 -8.957 1.00 0.00 O ATOM 1398 CB GLU A 88 8.073 -1.096 -9.601 1.00 0.00 C ATOM 1399 CG GLU A 88 9.444 -0.512 -9.231 1.00 0.00 C ATOM 1400 CD GLU A 88 10.487 -0.981 -10.247 1.00 0.00 C ATOM 1401 OE1 GLU A 88 10.747 -2.172 -10.292 1.00 0.00 O ATOM 1402 OE2 GLU A 88 11.007 -0.142 -10.963 1.00 0.00 O ATOM 0 H GLU A 88 8.834 0.784 -11.072 1.00 0.00 H new ATOM 0 HA GLU A 88 6.437 -0.398 -10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.635 -1.589 -8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.191 -1.856 -10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.396 0.577 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.728 -0.830 -8.228 1.00 0.00 H new ATOM 1409 N ARG A 89 7.050 0.880 -7.858 1.00 0.00 N ATOM 1410 CA ARG A 89 6.390 1.448 -6.699 1.00 0.00 C ATOM 1411 C ARG A 89 5.570 2.651 -7.175 1.00 0.00 C ATOM 1412 O ARG A 89 4.471 2.905 -6.723 1.00 0.00 O ATOM 1413 CB ARG A 89 7.422 1.925 -5.671 1.00 0.00 C ATOM 1414 CG ARG A 89 8.755 1.174 -5.821 1.00 0.00 C ATOM 1415 CD ARG A 89 8.513 -0.340 -5.775 1.00 0.00 C ATOM 1416 NE ARG A 89 9.755 -1.039 -6.045 1.00 0.00 N ATOM 1417 CZ ARG A 89 9.866 -2.311 -5.764 1.00 0.00 C ATOM 1418 NH1 ARG A 89 8.860 -2.960 -5.240 1.00 0.00 N ATOM 1419 NH2 ARG A 89 10.984 -2.936 -6.010 1.00 0.00 N ATOM 0 H ARG A 89 8.056 0.743 -7.763 1.00 0.00 H new ATOM 0 HA ARG A 89 5.756 0.695 -6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.590 2.995 -5.792 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.030 1.776 -4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.231 1.446 -6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.438 1.466 -5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.127 -0.627 -4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.759 -0.621 -6.510 1.00 0.00 H new ATOM 0 HE ARG A 89 10.543 -0.537 -6.455 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.984 -2.474 -5.049 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.951 -3.952 -5.022 1.00 0.00 H new ATOM 0 HH21 ARG A 89 11.770 -2.432 -6.421 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.072 -3.928 -5.791 1.00 0.00 H new ATOM 1433 N ASP A 90 6.123 3.376 -8.105 1.00 0.00 N ATOM 1434 CA ASP A 90 5.438 4.535 -8.646 1.00 0.00 C ATOM 1435 C ASP A 90 4.104 4.083 -9.241 1.00 0.00 C ATOM 1436 O ASP A 90 3.181 4.860 -9.400 1.00 0.00 O ATOM 1437 CB ASP A 90 6.290 5.185 -9.739 1.00 0.00 C ATOM 1438 CG ASP A 90 6.586 6.638 -9.363 1.00 0.00 C ATOM 1439 OD1 ASP A 90 5.640 7.389 -9.191 1.00 0.00 O ATOM 1440 OD2 ASP A 90 7.754 6.975 -9.253 1.00 0.00 O ATOM 0 H ASP A 90 7.042 3.194 -8.509 1.00 0.00 H new ATOM 0 HA ASP A 90 5.268 5.263 -7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.222 4.634 -9.863 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.766 5.145 -10.694 1.00 0.00 H new ATOM 1445 N ALA A 91 3.968 2.811 -9.499 1.00 0.00 N ATOM 1446 CA ALA A 91 2.716 2.305 -10.011 1.00 0.00 C ATOM 1447 C ALA A 91 1.853 1.949 -8.808 1.00 0.00 C ATOM 1448 O ALA A 91 0.662 2.217 -8.758 1.00 0.00 O ATOM 1449 CB ALA A 91 2.968 1.057 -10.859 1.00 0.00 C ATOM 0 H ALA A 91 4.697 2.110 -9.366 1.00 0.00 H new ATOM 0 HA ALA A 91 2.222 3.048 -10.638 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.020 0.680 -11.242 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.622 1.310 -11.694 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.442 0.290 -10.246 1.00 0.00 H new ATOM 1455 N VAL A 92 2.470 1.390 -7.806 1.00 0.00 N ATOM 1456 CA VAL A 92 1.734 1.070 -6.611 1.00 0.00 C ATOM 1457 C VAL A 92 1.072 2.356 -6.136 1.00 0.00 C ATOM 1458 O VAL A 92 -0.132 2.503 -6.198 1.00 0.00 O ATOM 1459 CB VAL A 92 2.685 0.546 -5.536 1.00 0.00 C ATOM 1460 CG1 VAL A 92 1.875 0.082 -4.325 1.00 0.00 C ATOM 1461 CG2 VAL A 92 3.487 -0.630 -6.096 1.00 0.00 C ATOM 0 H VAL A 92 3.461 1.149 -7.788 1.00 0.00 H new ATOM 0 HA VAL A 92 0.990 0.299 -6.809 1.00 0.00 H new ATOM 0 HB VAL A 92 3.368 1.340 -5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.551 -0.292 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.302 0.920 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.193 -0.713 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.166 -1.005 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.805 -1.425 -6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.062 -0.299 -6.961 1.00 0.00 H new ATOM 1471 N LYS A 93 1.856 3.307 -5.693 1.00 0.00 N ATOM 1472 CA LYS A 93 1.283 4.562 -5.258 1.00 0.00 C ATOM 1473 C LYS A 93 0.364 5.086 -6.352 1.00 0.00 C ATOM 1474 O LYS A 93 -0.675 5.630 -6.051 1.00 0.00 O ATOM 1475 CB LYS A 93 2.379 5.592 -4.988 1.00 0.00 C ATOM 1476 CG LYS A 93 1.725 6.961 -4.764 1.00 0.00 C ATOM 1477 CD LYS A 93 2.797 8.046 -4.699 1.00 0.00 C ATOM 1478 CE LYS A 93 2.538 9.086 -5.789 1.00 0.00 C ATOM 1479 NZ LYS A 93 3.775 9.280 -6.596 1.00 0.00 N ATOM 0 H LYS A 93 2.872 3.243 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 93 0.726 4.397 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.961 5.304 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.070 5.637 -5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.026 7.176 -5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.149 6.951 -3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.789 8.522 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.785 7.604 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.720 8.759 -6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.233 10.031 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.598 9.988 -7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.544 9.610 -5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.047 8.378 -7.036 1.00 0.00 H new ATOM 1493 N ASP A 94 0.741 4.934 -7.615 1.00 0.00 N ATOM 1494 CA ASP A 94 -0.107 5.419 -8.697 1.00 0.00 C ATOM 1495 C ASP A 94 -1.521 4.870 -8.522 1.00 0.00 C ATOM 1496 O ASP A 94 -2.487 5.482 -8.935 1.00 0.00 O ATOM 1497 CB ASP A 94 0.441 4.954 -10.045 1.00 0.00 C ATOM 1498 CG ASP A 94 -0.556 5.308 -11.151 1.00 0.00 C ATOM 1499 OD1 ASP A 94 -1.647 4.762 -11.135 1.00 0.00 O ATOM 1500 OD2 ASP A 94 -0.210 6.117 -11.995 1.00 0.00 O ATOM 0 H ASP A 94 1.609 4.489 -7.912 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.123 6.509 -8.669 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.402 5.428 -10.242 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.614 3.878 -10.028 1.00 0.00 H new ATOM 1505 N LEU A 95 -1.662 3.726 -7.907 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.995 3.173 -7.703 1.00 0.00 C ATOM 1507 C LEU A 95 -3.530 3.623 -6.330 1.00 0.00 C ATOM 1508 O LEU A 95 -4.655 4.075 -6.197 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.923 1.647 -7.755 1.00 0.00 C ATOM 1510 CG LEU A 95 -3.250 1.171 -9.171 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -4.644 1.664 -9.565 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -2.219 1.734 -10.153 1.00 0.00 C ATOM 0 H LEU A 95 -0.895 3.161 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.665 3.529 -8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.928 1.309 -7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.625 1.214 -7.043 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.224 0.082 -9.200 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.878 1.325 -10.574 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.381 1.265 -8.868 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.667 2.753 -9.534 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.454 1.394 -11.162 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.244 2.823 -10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.224 1.386 -9.875 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.730 3.483 -5.315 1.00 0.00 N ATOM 1525 CA LEU A 96 -3.141 3.861 -3.970 1.00 0.00 C ATOM 1526 C LEU A 96 -3.866 5.215 -3.936 1.00 0.00 C ATOM 1527 O LEU A 96 -5.045 5.290 -3.652 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.901 3.982 -3.094 1.00 0.00 C ATOM 1529 CG LEU A 96 -0.970 2.787 -3.314 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.018 2.654 -2.125 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.791 1.501 -3.443 1.00 0.00 C ATOM 0 H LEU A 96 -1.783 3.110 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.826 3.092 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.374 4.908 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.193 4.035 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.400 2.947 -4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.644 1.803 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.576 3.563 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.594 2.501 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.121 0.656 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.367 1.344 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.471 1.587 -4.291 1.00 0.00 H new ATOM 1543 N GLN A 97 -3.162 6.290 -4.198 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.785 7.611 -4.153 1.00 0.00 C ATOM 1545 C GLN A 97 -4.968 7.701 -5.128 1.00 0.00 C ATOM 1546 O GLN A 97 -5.651 8.704 -5.191 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.763 8.689 -4.533 1.00 0.00 C ATOM 1548 CG GLN A 97 -1.889 8.223 -5.707 1.00 0.00 C ATOM 1549 CD GLN A 97 -2.744 7.427 -6.688 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -2.710 6.133 -6.633 1.00 0.00 O flip ATOM 1551 NE2 GLN A 97 -3.444 7.989 -7.507 1.00 0.00 N flip ATOM 0 H GLN A 97 -2.172 6.288 -4.442 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.144 7.769 -3.136 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.282 9.609 -4.803 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.133 8.918 -3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.445 9.083 -6.209 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.067 7.608 -5.341 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.466 9.008 -7.545 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.009 7.442 -8.156 1.00 0.00 H new ATOM 1560 N GLN A 98 -5.222 6.670 -5.881 1.00 0.00 N ATOM 1561 CA GLN A 98 -6.328 6.708 -6.806 1.00 0.00 C ATOM 1562 C GLN A 98 -7.526 5.997 -6.174 1.00 0.00 C ATOM 1563 O GLN A 98 -8.664 6.340 -6.420 1.00 0.00 O ATOM 1564 CB GLN A 98 -5.937 6.007 -8.108 1.00 0.00 C ATOM 1565 CG GLN A 98 -6.570 6.744 -9.290 1.00 0.00 C ATOM 1566 CD GLN A 98 -7.738 5.921 -9.838 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -8.813 5.920 -9.272 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -7.572 5.216 -10.924 1.00 0.00 N ATOM 0 H GLN A 98 -4.689 5.801 -5.877 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.589 7.743 -7.028 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.852 5.991 -8.214 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.271 4.970 -8.090 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.920 7.727 -8.974 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.827 6.906 -10.071 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -6.670 5.217 -11.399 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -8.345 4.665 -11.297 1.00 0.00 H new ATOM 1577 N LEU A 99 -7.276 5.016 -5.347 1.00 0.00 N ATOM 1578 CA LEU A 99 -8.376 4.315 -4.705 1.00 0.00 C ATOM 1579 C LEU A 99 -8.722 5.042 -3.407 1.00 0.00 C ATOM 1580 O LEU A 99 -9.863 5.106 -2.998 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.990 2.867 -4.357 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.825 2.372 -5.218 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.666 2.003 -4.307 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -7.239 1.123 -5.978 1.00 0.00 C ATOM 0 H LEU A 99 -6.344 4.683 -5.100 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.222 4.297 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.716 2.806 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.852 2.215 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.538 3.157 -5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.829 1.649 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.358 2.880 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.979 1.216 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.406 0.776 -6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.520 0.343 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.089 1.353 -6.621 1.00 0.00 H new ATOM 1596 N LEU A 100 -7.729 5.572 -2.748 1.00 0.00 N ATOM 1597 CA LEU A 100 -7.962 6.262 -1.499 1.00 0.00 C ATOM 1598 C LEU A 100 -9.067 7.295 -1.712 1.00 0.00 C ATOM 1599 O LEU A 100 -9.880 7.533 -0.840 1.00 0.00 O ATOM 1600 CB LEU A 100 -6.668 6.941 -1.041 1.00 0.00 C ATOM 1601 CG LEU A 100 -5.754 5.902 -0.390 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -4.508 6.594 0.164 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -6.501 5.203 0.749 1.00 0.00 C ATOM 0 H LEU A 100 -6.755 5.543 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.272 5.558 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.165 7.402 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.893 7.738 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.458 5.163 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.857 5.853 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.975 7.088 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.803 7.334 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.848 4.463 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.800 5.940 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.387 4.708 0.353 1.00 0.00 H new ATOM 1615 N PRO A 101 -9.072 7.849 -2.893 1.00 0.00 N ATOM 1616 CA PRO A 101 -10.118 8.835 -3.235 1.00 0.00 C ATOM 1617 C PRO A 101 -11.477 8.144 -3.421 1.00 0.00 C ATOM 1618 O PRO A 101 -12.474 8.779 -3.701 1.00 0.00 O ATOM 1619 CB PRO A 101 -9.645 9.433 -4.559 1.00 0.00 C ATOM 1620 CG PRO A 101 -8.138 9.165 -4.667 1.00 0.00 C ATOM 1621 CD PRO A 101 -7.813 8.073 -3.649 1.00 0.00 C ATOM 0 HA PRO A 101 -10.255 9.584 -2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.177 8.981 -5.397 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.848 10.503 -4.592 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.873 8.846 -5.675 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.568 10.070 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.485 7.159 -4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.006 8.383 -2.985 1.00 0.00 H new ATOM 1629 N LYS A 102 -11.514 6.847 -3.294 1.00 0.00 N ATOM 1630 CA LYS A 102 -12.759 6.121 -3.484 1.00 0.00 C ATOM 1631 C LYS A 102 -13.501 5.957 -2.156 1.00 0.00 C ATOM 1632 O LYS A 102 -14.714 5.989 -2.102 1.00 0.00 O ATOM 1633 CB LYS A 102 -12.431 4.732 -4.028 1.00 0.00 C ATOM 1634 CG LYS A 102 -13.719 3.997 -4.395 1.00 0.00 C ATOM 1635 CD LYS A 102 -13.374 2.747 -5.206 1.00 0.00 C ATOM 1636 CE LYS A 102 -14.661 2.089 -5.704 1.00 0.00 C ATOM 1637 NZ LYS A 102 -14.337 0.780 -6.337 1.00 0.00 N ATOM 0 H LYS A 102 -10.709 6.266 -3.062 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.390 6.678 -4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.789 4.818 -4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.877 4.162 -3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.263 3.720 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.372 4.651 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.739 3.013 -6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.809 2.046 -4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.352 1.942 -4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -15.160 2.739 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.212 0.332 -6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.693 0.932 -7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.879 0.160 -5.638 1.00 0.00 H new ATOM 1651 N PHE A 103 -12.783 5.746 -1.092 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.426 5.542 0.197 1.00 0.00 C ATOM 1653 C PHE A 103 -13.168 6.751 1.097 1.00 0.00 C ATOM 1654 O PHE A 103 -13.613 6.803 2.226 1.00 0.00 O ATOM 1655 CB PHE A 103 -12.867 4.268 0.859 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.821 3.665 -0.045 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -12.203 2.768 -1.047 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -10.480 4.034 0.097 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -11.243 2.236 -1.909 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -9.515 3.496 -0.760 1.00 0.00 C ATOM 1661 CZ PHE A 103 -9.899 2.598 -1.765 1.00 0.00 C ATOM 0 H PHE A 103 -11.764 5.709 -1.078 1.00 0.00 H new ATOM 0 HA PHE A 103 -14.500 5.427 0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -12.433 4.507 1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.670 3.552 1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -13.240 2.487 -1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -10.190 4.733 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -11.537 1.546 -2.686 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.477 3.772 -0.648 1.00 0.00 H new ATOM 0 HZ PHE A 103 -9.156 2.184 -2.430 1.00 0.00 H new ATOM 1671 N LYS A 104 -12.461 7.727 0.602 1.00 0.00 N ATOM 1672 CA LYS A 104 -12.190 8.905 1.402 1.00 0.00 C ATOM 1673 C LYS A 104 -13.497 9.659 1.660 1.00 0.00 C ATOM 1674 O LYS A 104 -14.573 9.168 1.380 1.00 0.00 O ATOM 1675 CB LYS A 104 -11.209 9.814 0.657 1.00 0.00 C ATOM 1676 CG LYS A 104 -10.037 10.171 1.573 1.00 0.00 C ATOM 1677 CD LYS A 104 -9.485 8.900 2.219 1.00 0.00 C ATOM 1678 CE LYS A 104 -9.776 8.929 3.720 1.00 0.00 C ATOM 1679 NZ LYS A 104 -9.085 10.098 4.332 1.00 0.00 N ATOM 0 H LYS A 104 -12.063 7.739 -0.337 1.00 0.00 H new ATOM 0 HA LYS A 104 -11.752 8.605 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.843 9.313 -0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.716 10.721 0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.254 10.670 1.001 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.364 10.870 2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.941 8.020 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.411 8.827 2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.850 8.995 3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.435 8.005 4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.736 10.586 4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.251 9.771 4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.785 10.755 3.584 1.00 0.00 H new ATOM 1693 N ARG A 105 -13.414 10.848 2.195 1.00 0.00 N ATOM 1694 CA ARG A 105 -14.623 11.603 2.465 1.00 0.00 C ATOM 1695 C ARG A 105 -14.547 12.973 1.776 1.00 0.00 C ATOM 1696 O ARG A 105 -13.550 13.662 1.848 1.00 0.00 O ATOM 1697 CB ARG A 105 -14.798 11.764 3.988 1.00 0.00 C ATOM 1698 CG ARG A 105 -14.153 13.066 4.491 1.00 0.00 C ATOM 1699 CD ARG A 105 -12.630 12.974 4.374 1.00 0.00 C ATOM 1700 NE ARG A 105 -12.037 14.209 4.851 1.00 0.00 N ATOM 1701 CZ ARG A 105 -10.764 14.259 5.141 1.00 0.00 C ATOM 1702 NH1 ARG A 105 -10.016 13.198 5.003 1.00 0.00 N ATOM 1703 NH2 ARG A 105 -10.238 15.374 5.568 1.00 0.00 N ATOM 0 H ARG A 105 -12.543 11.313 2.451 1.00 0.00 H new ATOM 0 HA ARG A 105 -15.486 11.069 2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -15.859 11.762 4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -14.349 10.912 4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -14.520 13.912 3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.436 13.245 5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.259 12.130 4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.343 12.796 3.337 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.616 15.042 4.960 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.425 12.326 4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -9.023 13.241 5.230 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -10.820 16.205 5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.244 15.415 5.795 1.00 0.00 H new ATOM 1717 N LYS A 106 -15.598 13.369 1.111 1.00 0.00 N ATOM 1718 CA LYS A 106 -15.590 14.656 0.441 1.00 0.00 C ATOM 1719 C LYS A 106 -17.029 15.101 0.175 1.00 0.00 C ATOM 1720 O LYS A 106 -17.294 15.872 -0.726 1.00 0.00 O ATOM 1721 CB LYS A 106 -14.836 14.540 -0.884 1.00 0.00 C ATOM 1722 CG LYS A 106 -13.527 15.328 -0.797 1.00 0.00 C ATOM 1723 CD LYS A 106 -13.687 16.667 -1.520 1.00 0.00 C ATOM 1724 CE LYS A 106 -13.056 17.780 -0.682 1.00 0.00 C ATOM 1725 NZ LYS A 106 -13.971 18.138 0.438 1.00 0.00 N ATOM 0 H LYS A 106 -16.461 12.835 1.015 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.094 15.391 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.629 13.493 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -15.450 14.923 -1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.260 15.496 0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.715 14.755 -1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.212 16.622 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -14.743 16.878 -1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.093 17.453 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.866 18.655 -1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.869 19.149 0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.954 17.942 0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.730 17.573 1.277 1.00 0.00 H new ATOM 1739 N ALA A 107 -17.962 14.623 0.953 1.00 0.00 N ATOM 1740 CA ALA A 107 -19.345 15.009 0.749 1.00 0.00 C ATOM 1741 C ALA A 107 -19.692 16.173 1.681 1.00 0.00 C ATOM 1742 O ALA A 107 -20.139 15.977 2.793 1.00 0.00 O ATOM 1743 CB ALA A 107 -20.258 13.820 1.054 1.00 0.00 C ATOM 0 H ALA A 107 -17.801 13.975 1.724 1.00 0.00 H new ATOM 0 HA ALA A 107 -19.487 15.318 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -21.297 14.111 0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -20.011 12.992 0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -20.117 13.509 2.089 1.00 0.00 H new ATOM 1749 N ASN A 108 -19.490 17.382 1.235 1.00 0.00 N ATOM 1750 CA ASN A 108 -19.800 18.525 2.073 1.00 0.00 C ATOM 1751 C ASN A 108 -20.841 19.402 1.373 1.00 0.00 C ATOM 1752 O ASN A 108 -21.359 20.300 2.015 1.00 0.00 O ATOM 1753 CB ASN A 108 -18.528 19.339 2.319 1.00 0.00 C ATOM 1754 CG ASN A 108 -18.186 19.314 3.810 1.00 0.00 C ATOM 1755 OD1 ASN A 108 -18.692 20.111 4.574 1.00 0.00 O ATOM 1756 ND2 ASN A 108 -17.342 18.425 4.258 1.00 0.00 N ATOM 1757 OXT ASN A 108 -21.102 19.159 0.206 1.00 0.00 O ATOM 0 H ASN A 108 -19.118 17.608 0.312 1.00 0.00 H new ATOM 0 HA ASN A 108 -20.198 18.179 3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -17.702 18.927 1.739 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -18.671 20.367 1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -17.107 18.399 5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -16.917 17.756 3.616 1.00 0.00 H new TER 1764 ASN A 108