USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 693 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 6 ASN : amide:sc= 2.1 K(o=4.3,f=-0.9!) USER MOD Set 1.2: A 25 ASN : amide:sc= 1.27 K(o=4.3,f=1.9) USER MOD Set 1.3: A 89 GLN : amide:sc= 0.9 K(o=4.3,f=-0.9) USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.11) USER MOD Single : A 9 HIS :FLIP no HD1:sc= 0.694 F(o=-3.6!,f=0.69) USER MOD Single : A 22 SER OG : rot 180:sc= 0.395 USER MOD Single : A 24 HIS : no HE2:sc= 1.73 K(o=1.7,f=-12!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -67:sc= 0.478 USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -144:sc= -0.234 (180deg=-4.19!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0516 USER MOD Single : A 46 SER OG : rot 78:sc= 0.454 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.66) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 22:sc= 0.873 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.17) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -174:sc= 1.39 USER MOD Single : A 84 ASN : amide:sc= -0.0526 X(o=-0.053,f=-0.4) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 152:sc= 1.84 (180deg=1.06!) USER MOD Single : A 96 MET CE :methyl -118:sc= -0.0498 (180deg=-0.152) USER MOD Single : A 97 ASN : amide:sc=-0.00717 K(o=-0.0072,f=-0.66) USER MOD Single : A 98 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 101 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.35) USER MOD Single : A 104 SER OG : rot 79:sc= 1.23 USER MOD Single : A 105 SER OG : rot 89:sc= 0.961 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.484 -10.905 -15.399 1.00 0.51 N ATOM 21 CA GLU A 2 -8.357 -9.910 -14.327 1.00 0.37 C ATOM 22 C GLU A 2 -7.938 -8.556 -14.909 1.00 0.34 C ATOM 23 O GLU A 2 -7.230 -8.498 -15.916 1.00 0.48 O ATOM 24 CB GLU A 2 -7.310 -10.365 -13.295 1.00 0.53 C ATOM 25 CG GLU A 2 -7.325 -11.883 -13.082 1.00 0.96 C ATOM 26 CD GLU A 2 -6.343 -12.283 -11.992 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.716 -11.388 -11.395 1.00 2.09 O ATOM 28 OE2 GLU A 2 -6.198 -13.495 -11.724 1.00 2.16 O ATOM 0 HA GLU A 2 -9.325 -9.810 -13.836 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.318 -10.057 -13.626 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.498 -9.865 -12.345 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -8.330 -12.207 -12.810 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -7.068 -12.388 -14.013 1.00 0.96 H new ATOM 35 N GLY A 3 -8.365 -7.470 -14.269 1.00 0.25 N ATOM 36 CA GLY A 3 -8.020 -6.122 -14.721 1.00 0.28 C ATOM 37 C GLY A 3 -8.972 -5.083 -14.139 1.00 0.22 C ATOM 38 O GLY A 3 -9.958 -5.421 -13.472 1.00 0.22 O ATOM 0 H GLY A 3 -8.951 -7.496 -13.435 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.997 -5.887 -14.426 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.055 -6.081 -15.810 1.00 0.28 H new ATOM 42 N PHE A 4 -8.672 -3.810 -14.402 1.00 0.24 N ATOM 43 CA PHE A 4 -9.494 -2.694 -13.921 1.00 0.21 C ATOM 44 C PHE A 4 -10.728 -2.515 -14.806 1.00 0.22 C ATOM 45 O PHE A 4 -10.687 -2.767 -16.008 1.00 0.27 O ATOM 46 CB PHE A 4 -8.682 -1.393 -13.918 1.00 0.23 C ATOM 47 CG PHE A 4 -7.793 -1.239 -12.708 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.347 -1.007 -11.456 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.420 -1.346 -12.845 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.526 -0.884 -10.349 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.600 -1.219 -11.739 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.174 -0.924 -10.482 1.00 0.41 C ATOM 0 H PHE A 4 -7.860 -3.523 -14.949 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.812 -2.924 -12.904 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.067 -1.356 -14.817 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.367 -0.547 -13.965 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.418 -0.923 -11.346 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -5.988 -1.529 -13.818 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.964 -0.755 -9.370 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.532 -1.344 -11.835 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.540 -0.731 -9.629 1.00 0.41 H new ATOM 62 N LEU A 5 -11.814 -2.062 -14.199 1.00 0.19 N ATOM 63 CA LEU A 5 -13.075 -1.824 -14.899 1.00 0.21 C ATOM 64 C LEU A 5 -13.870 -0.766 -14.140 1.00 0.20 C ATOM 65 O LEU A 5 -13.849 -0.743 -12.904 1.00 0.21 O ATOM 66 CB LEU A 5 -13.908 -3.121 -14.957 1.00 0.23 C ATOM 67 CG LEU A 5 -13.642 -3.966 -16.209 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.512 -5.221 -16.180 1.00 0.27 C ATOM 69 CD2 LEU A 5 -13.911 -3.173 -17.488 1.00 0.31 C ATOM 0 H LEU A 5 -11.850 -1.847 -13.203 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.860 -1.489 -15.914 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.694 -3.720 -14.072 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.967 -2.865 -14.920 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.590 -4.250 -16.207 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.319 -5.818 -17.071 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.275 -5.808 -15.292 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.563 -4.934 -16.155 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -13.712 -3.803 -18.355 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -14.952 -2.851 -17.504 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.261 -2.299 -17.518 1.00 0.31 H new ATOM 81 N ASN A 6 -14.611 0.075 -14.856 1.00 0.22 N ATOM 82 CA ASN A 6 -15.451 1.082 -14.199 1.00 0.23 C ATOM 83 C ASN A 6 -16.812 0.445 -13.985 1.00 0.22 C ATOM 84 O ASN A 6 -17.341 -0.187 -14.896 1.00 0.26 O ATOM 85 CB ASN A 6 -15.548 2.381 -15.016 1.00 0.28 C ATOM 86 CG ASN A 6 -14.172 3.048 -15.137 1.00 0.72 C ATOM 87 OD1 ASN A 6 -13.383 3.043 -14.192 1.00 1.49 O ATOM 88 ND2 ASN A 6 -13.886 3.640 -16.284 1.00 1.24 N ATOM 0 H ASN A 6 -14.650 0.084 -15.875 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.011 1.379 -13.247 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.941 2.164 -16.009 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.249 3.066 -14.539 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -12.989 4.111 -16.405 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -14.562 3.626 -17.048 1.00 1.24 H new ATOM 95 N ARG A 7 -17.339 0.543 -12.767 1.00 0.23 N ATOM 96 CA ARG A 7 -18.616 -0.087 -12.417 1.00 0.24 C ATOM 97 C ARG A 7 -19.637 0.940 -11.925 1.00 0.25 C ATOM 98 O ARG A 7 -19.308 1.841 -11.152 1.00 0.32 O ATOM 99 CB ARG A 7 -18.371 -1.142 -11.326 1.00 0.28 C ATOM 100 CG ARG A 7 -19.606 -2.019 -11.090 1.00 0.34 C ATOM 101 CD ARG A 7 -19.330 -3.111 -10.049 1.00 0.54 C ATOM 102 NE ARG A 7 -19.220 -2.529 -8.707 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.655 -3.165 -7.624 1.00 1.16 C ATOM 104 NH1 ARG A 7 -19.040 -4.266 -7.214 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.711 -2.701 -6.971 1.00 1.71 N ATOM 0 H ARG A 7 -16.901 1.054 -12.001 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.026 -0.555 -13.312 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.528 -1.771 -11.613 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -18.096 -0.645 -10.396 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.436 -1.397 -10.755 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.911 -2.480 -12.030 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -20.132 -3.849 -10.067 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.408 -3.636 -10.300 1.00 0.54 H new ATOM 0 HE ARG A 7 -18.796 -1.607 -8.602 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -18.235 -4.623 -7.729 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -19.372 -4.756 -6.383 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -21.185 -1.860 -7.300 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -21.049 -3.185 -6.139 1.00 1.71 H new ATOM 119 N LYS A 8 -20.882 0.774 -12.364 1.00 0.27 N ATOM 120 CA LYS A 8 -21.993 1.647 -11.973 1.00 0.29 C ATOM 121 C LYS A 8 -23.232 0.786 -11.734 1.00 0.29 C ATOM 122 O LYS A 8 -23.642 0.025 -12.613 1.00 0.38 O ATOM 123 CB LYS A 8 -22.259 2.689 -13.068 1.00 0.36 C ATOM 124 CG LYS A 8 -23.287 3.742 -12.633 1.00 0.37 C ATOM 125 CD LYS A 8 -24.564 3.667 -13.477 1.00 0.50 C ATOM 126 CE LYS A 8 -25.783 4.169 -12.690 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.771 4.867 -13.560 1.00 1.02 N ATOM 0 H LYS A 8 -21.153 0.028 -13.004 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.741 2.181 -11.057 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.324 3.184 -13.330 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.616 2.186 -13.966 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.536 3.596 -11.582 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.850 4.736 -12.722 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.441 4.264 -14.381 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.732 2.638 -13.795 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.268 3.325 -12.198 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.451 4.848 -11.904 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.627 5.082 -13.010 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.356 5.752 -13.916 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.020 4.255 -14.363 1.00 1.02 H new ATOM 141 N HIS A 9 -23.814 0.895 -10.540 1.00 0.43 N ATOM 142 CA HIS A 9 -24.999 0.119 -10.168 1.00 0.52 C ATOM 143 C HIS A 9 -26.264 0.811 -10.681 1.00 0.58 C ATOM 144 O HIS A 9 -26.693 1.825 -10.132 1.00 0.73 O ATOM 145 CB HIS A 9 -25.112 -0.094 -8.624 1.00 0.68 C ATOM 146 CG HIS A 9 -24.001 0.484 -7.782 1.00 0.88 C ATOM 147 ND1 HIS A 9 -23.340 1.663 -7.851 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -23.465 -0.156 -6.687 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -22.428 1.700 -6.813 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -22.534 0.576 -6.124 1.00 1.75 N flip ATOM 0 H HIS A 9 -23.480 1.520 -9.806 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.895 -0.862 -10.631 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -26.055 0.338 -8.288 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -25.165 -1.165 -8.430 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -23.771 -1.131 -6.338 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -21.745 2.509 -6.601 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -21.988 0.323 -5.300 1.00 1.75 H new ATOM 158 N GLU A 10 -26.868 0.242 -11.722 1.00 0.60 N ATOM 159 CA GLU A 10 -28.102 0.767 -12.300 1.00 0.73 C ATOM 160 C GLU A 10 -29.282 0.386 -11.400 1.00 0.83 C ATOM 161 O GLU A 10 -30.240 1.147 -11.237 1.00 1.00 O ATOM 162 CB GLU A 10 -28.295 0.157 -13.688 1.00 0.79 C ATOM 163 CG GLU A 10 -27.437 0.850 -14.748 1.00 1.28 C ATOM 164 CD GLU A 10 -28.209 1.977 -15.412 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.205 3.100 -14.874 1.00 1.52 O ATOM 166 OE2 GLU A 10 -28.812 1.745 -16.478 1.00 1.72 O ATOM 0 H GLU A 10 -26.516 -0.595 -12.188 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.047 1.853 -12.381 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -28.043 -0.903 -13.655 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.345 0.227 -13.971 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -26.531 1.245 -14.288 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -27.123 0.125 -15.500 1.00 1.28 H new ATOM 173 N TRP A 11 -29.173 -0.803 -10.814 1.00 0.82 N ATOM 174 CA TRP A 11 -30.176 -1.359 -9.913 1.00 0.96 C ATOM 175 C TRP A 11 -29.454 -2.232 -8.880 1.00 0.94 C ATOM 176 O TRP A 11 -28.722 -3.159 -9.244 1.00 0.84 O ATOM 177 CB TRP A 11 -31.199 -2.180 -10.718 1.00 1.08 C ATOM 178 CG TRP A 11 -32.314 -2.743 -9.875 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.327 -2.043 -9.275 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.523 -4.131 -9.531 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.124 -2.921 -8.595 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.666 -4.194 -8.727 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.849 -5.320 -9.819 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.149 -5.390 -8.224 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.329 -6.523 -9.318 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.464 -6.558 -8.525 1.00 1.53 C ATOM 0 H TRP A 11 -28.371 -1.417 -10.955 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.719 -0.566 -9.399 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.626 -1.549 -11.498 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.683 -2.999 -11.218 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.472 -0.974 -9.330 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.951 -2.656 -8.060 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.958 -5.304 -10.429 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.038 -5.413 -7.612 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.811 -7.442 -9.549 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.818 -7.502 -8.138 1.00 1.53 H new ATOM 353 N SER A 22 -22.138 6.016 -7.772 1.00 1.32 N ATOM 354 CA SER A 22 -22.058 5.872 -9.235 1.00 0.74 C ATOM 355 C SER A 22 -20.700 5.315 -9.688 1.00 0.68 C ATOM 356 O SER A 22 -20.007 4.624 -8.937 1.00 1.69 O ATOM 357 CB SER A 22 -22.369 7.204 -9.945 1.00 1.62 C ATOM 358 OG SER A 22 -22.801 6.972 -11.280 1.00 1.86 O ATOM 0 HA SER A 22 -22.818 5.146 -9.523 1.00 0.74 H new ATOM 0 HB2 SER A 22 -23.141 7.743 -9.396 1.00 1.62 H new ATOM 0 HB3 SER A 22 -21.481 7.836 -9.949 1.00 1.62 H new ATOM 0 HG SER A 22 -22.995 7.829 -11.714 1.00 1.86 H new ATOM 364 N TRP A 23 -20.379 5.610 -10.951 1.00 0.69 N ATOM 365 CA TRP A 23 -19.153 5.167 -11.651 1.00 0.41 C ATOM 366 C TRP A 23 -17.892 5.182 -10.775 1.00 0.40 C ATOM 367 O TRP A 23 -17.345 6.246 -10.474 1.00 0.55 O ATOM 368 CB TRP A 23 -18.929 6.052 -12.890 1.00 0.43 C ATOM 369 CG TRP A 23 -19.836 5.695 -14.031 1.00 0.40 C ATOM 370 CD1 TRP A 23 -20.895 6.420 -14.507 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.762 4.506 -14.839 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.466 5.734 -15.544 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.803 4.563 -15.770 1.00 0.36 C ATOM 374 CE3 TRP A 23 -18.918 3.396 -14.850 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.010 3.555 -16.701 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.114 2.392 -15.771 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.153 2.462 -16.688 1.00 0.31 C ATOM 0 H TRP A 23 -20.982 6.183 -11.541 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.316 4.126 -11.932 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.087 7.096 -12.619 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.892 5.961 -13.214 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.225 7.375 -14.127 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.276 6.054 -16.075 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.111 3.324 -14.136 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -21.816 3.619 -17.417 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.451 1.539 -15.780 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.296 1.660 -17.397 1.00 0.31 H new ATOM 388 N HIS A 24 -17.427 3.981 -10.404 1.00 0.37 N ATOM 389 CA HIS A 24 -16.210 3.798 -9.593 1.00 0.45 C ATOM 390 C HIS A 24 -15.263 2.824 -10.301 1.00 0.36 C ATOM 391 O HIS A 24 -15.700 1.808 -10.852 1.00 0.34 O ATOM 392 CB HIS A 24 -16.542 3.274 -8.173 1.00 0.61 C ATOM 393 CG HIS A 24 -17.504 2.115 -8.130 1.00 1.18 C ATOM 394 ND1 HIS A 24 -18.851 2.247 -8.330 1.00 2.08 N ATOM 395 CD2 HIS A 24 -17.315 0.790 -7.900 1.00 1.66 C ATOM 396 CE1 HIS A 24 -19.460 1.092 -8.234 1.00 2.98 C ATOM 397 NE2 HIS A 24 -18.550 0.171 -7.968 1.00 2.74 N ATOM 0 H HIS A 24 -17.884 3.105 -10.657 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.728 4.769 -9.483 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -15.614 2.974 -7.687 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.958 4.094 -7.588 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -19.320 3.131 -8.528 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -16.370 0.307 -7.700 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -20.520 0.922 -8.352 1.00 2.98 H new ATOM 405 N ASN A 25 -13.965 3.133 -10.263 1.00 0.37 N ATOM 406 CA ASN A 25 -12.929 2.290 -10.873 1.00 0.35 C ATOM 407 C ASN A 25 -12.573 1.174 -9.889 1.00 0.34 C ATOM 408 O ASN A 25 -12.112 1.444 -8.774 1.00 0.55 O ATOM 409 CB ASN A 25 -11.687 3.142 -11.208 1.00 0.44 C ATOM 410 CG ASN A 25 -10.670 2.355 -12.047 1.00 0.99 C ATOM 411 OD1 ASN A 25 -9.668 1.868 -11.527 1.00 1.71 O ATOM 412 ND2 ASN A 25 -10.921 2.227 -13.345 1.00 1.49 N ATOM 0 H ASN A 25 -13.601 3.972 -9.810 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.295 1.852 -11.802 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -11.994 4.035 -11.752 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.215 3.477 -10.284 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -10.273 1.712 -13.941 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -11.762 2.643 -13.745 1.00 1.49 H new ATOM 419 N VAL A 26 -12.821 -0.072 -10.284 1.00 0.22 N ATOM 420 CA VAL A 26 -12.560 -1.229 -9.423 1.00 0.21 C ATOM 421 C VAL A 26 -11.801 -2.312 -10.195 1.00 0.18 C ATOM 422 O VAL A 26 -11.810 -2.340 -11.428 1.00 0.23 O ATOM 423 CB VAL A 26 -13.901 -1.757 -8.871 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.612 -2.662 -9.882 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.703 -2.488 -7.544 1.00 0.31 C ATOM 0 H VAL A 26 -13.204 -0.310 -11.199 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.930 -0.932 -8.584 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.538 -0.890 -8.693 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.552 -3.014 -9.457 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.814 -2.100 -10.794 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -13.977 -3.517 -10.115 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.665 -2.848 -7.180 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.031 -3.333 -7.691 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.271 -1.804 -6.813 1.00 0.31 H new ATOM 435 N TYR A 27 -11.146 -3.200 -9.456 1.00 0.16 N ATOM 436 CA TYR A 27 -10.373 -4.299 -10.040 1.00 0.16 C ATOM 437 C TYR A 27 -11.209 -5.582 -9.986 1.00 0.19 C ATOM 438 O TYR A 27 -11.474 -6.115 -8.904 1.00 0.34 O ATOM 439 CB TYR A 27 -9.057 -4.458 -9.266 1.00 0.17 C ATOM 440 CG TYR A 27 -7.972 -5.165 -10.047 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.928 -6.546 -10.081 1.00 0.26 C ATOM 442 CD2 TYR A 27 -7.008 -4.432 -10.716 1.00 0.28 C ATOM 443 CE1 TYR A 27 -6.922 -7.193 -10.782 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.002 -5.075 -11.411 1.00 0.33 C ATOM 445 CZ TYR A 27 -5.961 -6.453 -11.446 1.00 0.29 C ATOM 446 OH TYR A 27 -4.952 -7.095 -12.136 1.00 0.37 O ATOM 0 H TYR A 27 -11.133 -3.182 -8.436 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.133 -4.087 -11.082 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.697 -3.472 -8.973 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.251 -5.012 -8.348 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.679 -7.122 -9.561 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.042 -3.353 -10.695 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.889 -8.272 -10.809 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.248 -4.499 -11.927 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.361 -6.429 -12.546 1.00 0.37 H new ATOM 456 N CYS A 28 -11.647 -6.053 -11.154 1.00 0.16 N ATOM 457 CA CYS A 28 -12.485 -7.254 -11.257 1.00 0.19 C ATOM 458 C CYS A 28 -11.645 -8.494 -11.575 1.00 0.19 C ATOM 459 O CYS A 28 -10.805 -8.474 -12.478 1.00 0.23 O ATOM 460 CB CYS A 28 -13.548 -7.050 -12.344 1.00 0.23 C ATOM 461 SG CYS A 28 -14.562 -5.590 -12.046 1.00 0.34 S ATOM 0 H CYS A 28 -11.434 -5.618 -12.052 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.970 -7.415 -10.294 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.059 -6.958 -13.314 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.189 -7.931 -12.392 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.279 -5.771 -10.977 1.00 0.34 H new ATOM 467 N VAL A 29 -11.890 -9.572 -10.829 1.00 0.21 N ATOM 468 CA VAL A 29 -11.186 -10.844 -11.009 1.00 0.24 C ATOM 469 C VAL A 29 -12.203 -11.983 -11.056 1.00 0.26 C ATOM 470 O VAL A 29 -12.891 -12.242 -10.067 1.00 0.38 O ATOM 471 CB VAL A 29 -10.205 -11.073 -9.846 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.565 -12.466 -9.922 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.127 -9.989 -9.829 1.00 0.33 C ATOM 0 H VAL A 29 -12.583 -9.589 -10.081 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.625 -10.815 -11.943 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.772 -11.015 -8.917 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.877 -12.596 -9.087 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.344 -13.227 -9.873 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -9.019 -12.565 -10.860 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.443 -10.169 -8.999 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.573 -10.012 -10.767 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.595 -9.012 -9.708 1.00 0.33 H new ATOM 483 N ILE A 30 -12.281 -12.671 -12.194 1.00 0.28 N ATOM 484 CA ILE A 30 -13.198 -13.803 -12.361 1.00 0.32 C ATOM 485 C ILE A 30 -12.539 -15.060 -11.791 1.00 0.35 C ATOM 486 O ILE A 30 -11.348 -15.297 -12.010 1.00 0.44 O ATOM 487 CB ILE A 30 -13.547 -13.998 -13.843 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.841 -12.646 -14.512 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.742 -14.943 -13.995 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.334 -12.812 -15.948 1.00 0.57 C ATOM 0 H ILE A 30 -11.718 -12.465 -13.019 1.00 0.28 H new ATOM 0 HA ILE A 30 -14.126 -13.605 -11.825 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.688 -14.448 -14.340 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.591 -12.110 -13.931 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.938 -12.035 -14.507 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.974 -15.069 -15.053 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.497 -15.912 -13.560 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.606 -14.522 -13.481 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.529 -11.831 -16.381 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.573 -13.324 -16.537 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.252 -13.400 -15.952 1.00 0.57 H new ATOM 502 N ASN A 31 -13.309 -15.841 -11.035 1.00 0.46 N ATOM 503 CA ASN A 31 -12.805 -17.060 -10.397 1.00 0.58 C ATOM 504 C ASN A 31 -13.816 -18.204 -10.535 1.00 0.71 C ATOM 505 O ASN A 31 -14.589 -18.480 -9.616 1.00 1.20 O ATOM 506 CB ASN A 31 -12.512 -16.764 -8.915 1.00 0.73 C ATOM 507 CG ASN A 31 -11.835 -17.951 -8.222 1.00 0.93 C ATOM 508 OD1 ASN A 31 -11.064 -18.690 -8.834 1.00 1.27 O ATOM 509 ND2 ASN A 31 -12.127 -18.131 -6.944 1.00 1.47 N ATOM 0 H ASN A 31 -14.293 -15.650 -10.847 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.886 -17.374 -10.891 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.872 -15.885 -8.839 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -13.443 -16.525 -8.401 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -11.708 -18.905 -6.429 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.771 -17.495 -6.474 1.00 1.47 H new ATOM 516 N ASN A 32 -13.784 -18.875 -11.687 1.00 0.85 N ATOM 517 CA ASN A 32 -14.663 -20.020 -11.980 1.00 1.00 C ATOM 518 C ASN A 32 -16.145 -19.597 -12.070 1.00 1.00 C ATOM 519 O ASN A 32 -16.570 -19.025 -13.078 1.00 1.97 O ATOM 520 CB ASN A 32 -14.435 -21.129 -10.922 1.00 1.24 C ATOM 521 CG ASN A 32 -14.785 -22.512 -11.475 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.948 -22.818 -11.738 1.00 2.06 O ATOM 523 ND2 ASN A 32 -13.776 -23.355 -11.641 1.00 2.52 N ATOM 0 H ASN A 32 -13.147 -18.643 -12.449 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.406 -20.420 -12.961 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.394 -21.118 -10.600 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -15.043 -20.924 -10.041 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -13.950 -24.294 -11.998 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -12.826 -23.064 -11.412 1.00 2.52 H new ATOM 530 N GLN A 33 -16.921 -19.885 -11.018 1.00 0.75 N ATOM 531 CA GLN A 33 -18.356 -19.559 -10.964 1.00 0.67 C ATOM 532 C GLN A 33 -18.612 -18.298 -10.123 1.00 0.56 C ATOM 533 O GLN A 33 -19.782 -17.980 -9.811 1.00 0.71 O ATOM 534 CB GLN A 33 -19.124 -20.758 -10.369 1.00 0.83 C ATOM 535 CG GLN A 33 -20.088 -21.378 -11.384 1.00 1.46 C ATOM 536 CD GLN A 33 -19.355 -22.368 -12.286 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.178 -23.532 -11.926 1.00 2.11 O ATOM 538 NE2 GLN A 33 -18.933 -21.914 -13.453 1.00 2.67 N ATOM 0 H GLN A 33 -16.574 -20.350 -10.179 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.707 -19.358 -11.976 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.414 -21.514 -10.034 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.681 -20.433 -9.491 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.898 -21.886 -10.861 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -20.542 -20.593 -11.989 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -19.100 -20.942 -13.713 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -18.440 -22.536 -14.094 1.00 2.67 H new ATOM 547 N GLU A 34 -17.526 -17.586 -9.750 1.00 0.53 N ATOM 548 CA GLU A 34 -17.622 -16.371 -8.940 1.00 0.49 C ATOM 549 C GLU A 34 -16.681 -15.307 -9.496 1.00 0.45 C ATOM 550 O GLU A 34 -15.924 -15.552 -10.440 1.00 0.64 O ATOM 551 CB GLU A 34 -17.229 -16.680 -7.482 1.00 0.61 C ATOM 552 CG GLU A 34 -18.171 -17.701 -6.822 1.00 1.25 C ATOM 553 CD GLU A 34 -17.511 -18.326 -5.595 1.00 1.42 C ATOM 554 OE1 GLU A 34 -16.348 -18.761 -5.698 1.00 1.89 O ATOM 555 OE2 GLU A 34 -18.154 -18.390 -4.529 1.00 1.79 O ATOM 0 H GLU A 34 -16.571 -17.841 -10.003 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.649 -16.006 -8.971 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.209 -17.063 -7.457 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -17.237 -15.756 -6.903 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -19.101 -17.212 -6.532 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.431 -18.480 -7.538 1.00 1.25 H new ATOM 562 N MET A 35 -16.708 -14.139 -8.881 1.00 0.36 N ATOM 563 CA MET A 35 -15.842 -13.030 -9.259 1.00 0.35 C ATOM 564 C MET A 35 -15.656 -12.136 -8.040 1.00 0.32 C ATOM 565 O MET A 35 -16.586 -11.959 -7.249 1.00 0.42 O ATOM 566 CB MET A 35 -16.416 -12.242 -10.444 1.00 0.41 C ATOM 567 CG MET A 35 -17.758 -11.595 -10.112 1.00 0.43 C ATOM 568 SD MET A 35 -18.438 -10.656 -11.495 1.00 0.60 S ATOM 569 CE MET A 35 -17.227 -9.334 -11.665 1.00 1.25 C ATOM 0 H MET A 35 -17.332 -13.929 -8.102 1.00 0.36 H new ATOM 0 HA MET A 35 -14.877 -13.417 -9.587 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.707 -11.470 -10.742 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.538 -12.910 -11.297 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.468 -12.369 -9.820 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.636 -10.934 -9.254 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.733 -8.411 -11.947 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.711 -9.189 -10.716 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.503 -9.601 -12.435 1.00 1.25 H new ATOM 579 N GLY A 36 -14.455 -11.601 -7.873 1.00 0.27 N ATOM 580 CA GLY A 36 -14.135 -10.753 -6.728 1.00 0.29 C ATOM 581 C GLY A 36 -13.815 -9.324 -7.146 1.00 0.25 C ATOM 582 O GLY A 36 -13.036 -9.091 -8.077 1.00 0.28 O ATOM 0 H GLY A 36 -13.679 -11.739 -8.520 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.976 -10.748 -6.035 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.283 -11.173 -6.193 1.00 0.29 H new ATOM 586 N PHE A 37 -14.407 -8.366 -6.430 1.00 0.24 N ATOM 587 CA PHE A 37 -14.185 -6.939 -6.674 1.00 0.25 C ATOM 588 C PHE A 37 -13.132 -6.441 -5.687 1.00 0.25 C ATOM 589 O PHE A 37 -13.417 -6.298 -4.495 1.00 0.40 O ATOM 590 CB PHE A 37 -15.490 -6.159 -6.484 1.00 0.30 C ATOM 591 CG PHE A 37 -16.534 -6.504 -7.519 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.320 -6.201 -8.853 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.710 -7.124 -7.130 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.283 -6.513 -9.795 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.669 -7.436 -8.073 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.437 -7.145 -9.423 1.00 0.33 C ATOM 0 H PHE A 37 -15.054 -8.557 -5.665 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.842 -6.787 -7.698 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.889 -6.363 -5.490 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.279 -5.091 -6.529 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.402 -5.721 -9.158 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.877 -7.363 -6.090 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.123 -6.256 -10.832 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.595 -7.903 -7.771 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.168 -7.419 -10.169 1.00 0.33 H new ATOM 606 N TYR A 38 -11.919 -6.205 -6.178 1.00 0.20 N ATOM 607 CA TYR A 38 -10.801 -5.750 -5.341 1.00 0.21 C ATOM 608 C TYR A 38 -10.421 -4.301 -5.660 1.00 0.21 C ATOM 609 O TYR A 38 -10.926 -3.705 -6.616 1.00 0.23 O ATOM 610 CB TYR A 38 -9.599 -6.678 -5.554 1.00 0.23 C ATOM 611 CG TYR A 38 -9.918 -8.122 -5.235 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.835 -8.571 -3.931 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.311 -8.992 -6.239 1.00 0.27 C ATOM 614 CE1 TYR A 38 -10.143 -9.883 -3.625 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.615 -10.309 -5.934 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.532 -10.749 -4.629 1.00 0.44 C ATOM 617 OH TYR A 38 -10.843 -12.057 -4.326 1.00 0.55 O ATOM 0 H TYR A 38 -11.679 -6.322 -7.162 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.110 -5.785 -4.296 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.265 -6.603 -6.589 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.772 -6.345 -4.927 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.528 -7.894 -3.148 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.380 -8.644 -7.259 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -10.080 -10.230 -2.604 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.916 -10.990 -6.716 1.00 0.35 H new ATOM 0 HH TYR A 38 -11.098 -12.531 -5.145 1.00 0.55 H new ATOM 627 N LYS A 39 -9.525 -3.740 -4.843 1.00 0.25 N ATOM 628 CA LYS A 39 -9.062 -2.357 -5.013 1.00 0.29 C ATOM 629 C LYS A 39 -8.151 -2.230 -6.241 1.00 0.28 C ATOM 630 O LYS A 39 -8.387 -1.394 -7.113 1.00 0.33 O ATOM 631 CB LYS A 39 -8.318 -1.895 -3.745 1.00 0.36 C ATOM 632 CG LYS A 39 -8.272 -0.366 -3.648 1.00 0.70 C ATOM 633 CD LYS A 39 -8.777 0.127 -2.286 1.00 1.15 C ATOM 634 CE LYS A 39 -9.051 1.635 -2.304 1.00 1.82 C ATOM 635 NZ LYS A 39 -8.656 2.292 -1.023 1.00 2.51 N ATOM 0 H LYS A 39 -9.102 -4.225 -4.052 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.931 -1.718 -5.171 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.812 -2.302 -2.863 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.303 -2.291 -3.753 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.250 -0.021 -3.805 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.880 0.068 -4.442 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -9.689 -0.407 -2.019 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -8.038 -0.101 -1.518 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -8.505 2.093 -3.129 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -10.111 1.808 -2.488 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -8.858 3.311 -1.078 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -9.195 1.874 -0.238 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -7.639 2.150 -0.859 1.00 2.51 H new ATOM 649 N ASP A 40 -7.108 -3.058 -6.290 1.00 0.28 N ATOM 650 CA ASP A 40 -6.139 -3.052 -7.394 1.00 0.32 C ATOM 651 C ASP A 40 -5.535 -4.451 -7.584 1.00 0.33 C ATOM 652 O ASP A 40 -6.025 -5.434 -7.018 1.00 0.32 O ATOM 653 CB ASP A 40 -5.035 -2.004 -7.123 1.00 0.38 C ATOM 654 CG ASP A 40 -4.030 -2.471 -6.061 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.455 -3.095 -5.069 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.818 -2.213 -6.214 1.00 0.94 O ATOM 0 H ASP A 40 -6.908 -3.751 -5.569 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.653 -2.780 -8.316 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.505 -1.791 -8.051 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.496 -1.071 -6.798 1.00 0.38 H new ATOM 661 N ALA A 41 -4.459 -4.529 -8.376 1.00 0.40 N ATOM 662 CA ALA A 41 -3.766 -5.798 -8.645 1.00 0.45 C ATOM 663 C ALA A 41 -3.162 -6.369 -7.358 1.00 0.45 C ATOM 664 O ALA A 41 -3.222 -7.579 -7.118 1.00 0.47 O ATOM 665 CB ALA A 41 -2.666 -5.588 -9.692 1.00 0.55 C ATOM 0 H ALA A 41 -4.046 -3.723 -8.845 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.494 -6.511 -9.032 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.160 -6.534 -9.883 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.110 -5.221 -10.617 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.945 -4.859 -9.321 1.00 0.55 H new ATOM 671 N LYS A 42 -2.603 -5.484 -6.520 1.00 0.46 N ATOM 672 CA LYS A 42 -2.005 -5.883 -5.240 1.00 0.48 C ATOM 673 C LYS A 42 -3.087 -6.415 -4.296 1.00 0.43 C ATOM 674 O LYS A 42 -2.920 -7.470 -3.677 1.00 0.47 O ATOM 675 CB LYS A 42 -1.272 -4.697 -4.597 1.00 0.54 C ATOM 676 CG LYS A 42 -0.183 -4.141 -5.519 1.00 0.77 C ATOM 677 CD LYS A 42 0.750 -3.184 -4.765 1.00 1.12 C ATOM 678 CE LYS A 42 1.411 -2.174 -5.708 1.00 1.96 C ATOM 679 NZ LYS A 42 2.340 -2.834 -6.673 1.00 2.76 N ATOM 0 H LYS A 42 -2.553 -4.483 -6.708 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.281 -6.676 -5.426 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.988 -3.909 -4.363 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.825 -5.012 -3.654 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.397 -4.963 -5.938 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.645 -3.618 -6.356 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.184 -2.651 -4.001 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.520 -3.758 -4.249 1.00 1.12 H new ATOM 0 HE2 LYS A 42 0.641 -1.634 -6.258 1.00 1.96 H new ATOM 0 HE3 LYS A 42 1.960 -1.437 -5.122 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.766 -2.115 -7.292 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 3.090 -3.328 -6.150 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 1.812 -3.519 -7.250 1.00 2.76 H new ATOM 693 N SER A 43 -4.207 -5.687 -4.212 1.00 0.38 N ATOM 694 CA SER A 43 -5.349 -6.071 -3.369 1.00 0.38 C ATOM 695 C SER A 43 -5.928 -7.421 -3.824 1.00 0.39 C ATOM 696 O SER A 43 -6.253 -8.278 -3.000 1.00 0.45 O ATOM 697 CB SER A 43 -6.421 -4.972 -3.437 1.00 0.37 C ATOM 698 OG SER A 43 -7.269 -5.008 -2.301 1.00 1.04 O ATOM 0 H SER A 43 -4.348 -4.817 -4.725 1.00 0.38 H new ATOM 0 HA SER A 43 -5.013 -6.182 -2.338 1.00 0.38 H new ATOM 0 HB2 SER A 43 -5.940 -3.996 -3.504 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.016 -5.097 -4.342 1.00 0.37 H new ATOM 0 HG SER A 43 -7.940 -4.297 -2.371 1.00 1.04 H new ATOM 704 N ALA A 44 -6.038 -7.601 -5.148 1.00 0.37 N ATOM 705 CA ALA A 44 -6.560 -8.836 -5.742 1.00 0.43 C ATOM 706 C ALA A 44 -5.625 -10.022 -5.469 1.00 0.51 C ATOM 707 O ALA A 44 -6.084 -11.139 -5.221 1.00 0.59 O ATOM 708 CB ALA A 44 -6.738 -8.647 -7.252 1.00 0.43 C ATOM 0 H ALA A 44 -5.768 -6.896 -5.834 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.525 -9.055 -5.284 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.126 -9.566 -7.691 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.439 -7.833 -7.437 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.776 -8.407 -7.705 1.00 0.43 H new ATOM 714 N ALA A 45 -4.312 -9.769 -5.511 1.00 0.54 N ATOM 715 CA ALA A 45 -3.305 -10.809 -5.265 1.00 0.64 C ATOM 716 C ALA A 45 -3.320 -11.245 -3.797 1.00 0.68 C ATOM 717 O ALA A 45 -3.318 -12.441 -3.493 1.00 0.76 O ATOM 718 CB ALA A 45 -1.915 -10.290 -5.636 1.00 0.69 C ATOM 0 H ALA A 45 -3.920 -8.849 -5.714 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.546 -11.672 -5.885 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.175 -11.068 -5.450 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.898 -10.017 -6.691 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.680 -9.414 -5.031 1.00 0.69 H new ATOM 724 N SER A 46 -3.338 -10.262 -2.892 1.00 0.65 N ATOM 725 CA SER A 46 -3.361 -10.516 -1.446 1.00 0.73 C ATOM 726 C SER A 46 -4.712 -11.106 -1.009 1.00 0.74 C ATOM 727 O SER A 46 -4.762 -11.966 -0.128 1.00 0.84 O ATOM 728 CB SER A 46 -3.085 -9.214 -0.685 1.00 0.75 C ATOM 729 OG SER A 46 -1.875 -8.617 -1.135 1.00 1.21 O ATOM 0 H SER A 46 -3.337 -9.272 -3.138 1.00 0.65 H new ATOM 0 HA SER A 46 -2.583 -11.243 -1.213 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.914 -8.521 -0.828 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.020 -9.418 0.384 1.00 0.75 H new ATOM 0 HG SER A 46 -2.033 -8.161 -1.988 1.00 1.21 H new ATOM 735 N GLY A 47 -5.794 -10.634 -1.631 1.00 0.70 N ATOM 736 CA GLY A 47 -7.151 -11.097 -1.321 1.00 0.74 C ATOM 737 C GLY A 47 -7.776 -10.241 -0.218 1.00 0.75 C ATOM 738 O GLY A 47 -8.349 -10.765 0.738 1.00 0.88 O ATOM 0 H GLY A 47 -5.757 -9.923 -2.361 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.769 -11.052 -2.217 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -7.122 -12.140 -1.006 1.00 0.74 H new ATOM 742 N ILE A 48 -7.660 -8.921 -0.363 1.00 0.67 N ATOM 743 CA ILE A 48 -8.204 -7.962 0.607 1.00 0.72 C ATOM 744 C ILE A 48 -9.564 -7.455 0.109 1.00 0.75 C ATOM 745 O ILE A 48 -9.698 -7.072 -1.051 1.00 0.75 O ATOM 746 CB ILE A 48 -7.215 -6.794 0.773 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.871 -7.292 1.314 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.768 -5.701 1.690 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.779 -6.245 1.107 1.00 0.97 C ATOM 0 H ILE A 48 -7.187 -8.484 -1.154 1.00 0.67 H new ATOM 0 HA ILE A 48 -8.344 -8.443 1.575 1.00 0.72 H new ATOM 0 HB ILE A 48 -7.067 -6.361 -0.216 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.964 -7.521 2.376 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.593 -8.218 0.811 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -7.038 -4.897 1.779 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.693 -5.306 1.269 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.968 -6.120 2.676 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.834 -6.622 1.499 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.672 -6.036 0.043 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -5.050 -5.328 1.631 1.00 0.97 H new ATOM 761 N PRO A 49 -10.599 -7.440 0.974 1.00 0.84 N ATOM 762 CA PRO A 49 -11.950 -6.973 0.590 1.00 0.93 C ATOM 763 C PRO A 49 -11.992 -5.473 0.267 1.00 0.93 C ATOM 764 O PRO A 49 -11.462 -4.645 1.016 1.00 1.08 O ATOM 765 CB PRO A 49 -12.812 -7.309 1.810 1.00 1.07 C ATOM 766 CG PRO A 49 -11.861 -7.366 2.955 1.00 1.06 C ATOM 767 CD PRO A 49 -10.555 -7.864 2.389 1.00 0.92 C ATOM 0 HA PRO A 49 -12.299 -7.452 -0.325 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.578 -6.551 1.972 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -13.327 -8.260 1.678 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.739 -6.383 3.410 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -12.228 -8.034 3.734 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.702 -7.430 2.910 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -10.467 -8.947 2.480 1.00 0.92 H new ATOM 775 N TYR A 50 -12.627 -5.133 -0.861 1.00 0.87 N ATOM 776 CA TYR A 50 -12.750 -3.741 -1.309 1.00 0.91 C ATOM 777 C TYR A 50 -13.700 -2.964 -0.388 1.00 1.12 C ATOM 778 O TYR A 50 -13.257 -2.129 0.400 1.00 1.91 O ATOM 779 CB TYR A 50 -13.238 -3.707 -2.772 1.00 0.92 C ATOM 780 CG TYR A 50 -13.324 -2.315 -3.361 1.00 0.94 C ATOM 781 CD1 TYR A 50 -12.203 -1.507 -3.390 1.00 1.02 C ATOM 782 CD2 TYR A 50 -14.522 -1.850 -3.878 1.00 1.13 C ATOM 783 CE1 TYR A 50 -12.276 -0.238 -3.936 1.00 1.13 C ATOM 784 CE2 TYR A 50 -14.596 -0.581 -4.423 1.00 1.24 C ATOM 785 CZ TYR A 50 -13.473 0.221 -4.449 1.00 1.17 C ATOM 786 OH TYR A 50 -13.546 1.485 -4.987 1.00 1.34 O ATOM 0 H TYR A 50 -13.067 -5.810 -1.485 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.773 -3.259 -1.260 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -12.564 -4.308 -3.383 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -14.221 -4.175 -2.827 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.268 -1.867 -2.986 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -15.399 -2.479 -3.855 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.399 0.392 -3.961 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -15.530 -0.219 -4.827 1.00 1.24 H new ATOM 0 HH TYR A 50 -14.458 1.653 -5.304 1.00 1.34 H new ATOM 796 N HIS A 51 -15.000 -3.257 -0.486 1.00 1.28 N ATOM 797 CA HIS A 51 -16.027 -2.600 0.338 1.00 1.53 C ATOM 798 C HIS A 51 -16.955 -3.654 0.950 1.00 1.61 C ATOM 799 O HIS A 51 -16.690 -4.170 2.038 1.00 2.07 O ATOM 800 CB HIS A 51 -16.838 -1.605 -0.520 1.00 2.01 C ATOM 801 CG HIS A 51 -16.086 -0.348 -0.855 1.00 2.54 C ATOM 802 ND1 HIS A 51 -16.375 0.438 -1.941 1.00 3.19 N ATOM 803 CD2 HIS A 51 -15.041 0.270 -0.251 1.00 2.89 C ATOM 804 CE1 HIS A 51 -15.567 1.466 -2.008 1.00 3.87 C ATOM 805 NE2 HIS A 51 -14.731 1.399 -0.986 1.00 3.74 N ATOM 0 H HIS A 51 -15.372 -3.952 -1.134 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.540 -2.049 1.143 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -17.138 -2.097 -1.445 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.752 -1.341 0.012 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -14.539 -0.061 0.646 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -15.581 2.235 -2.766 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -13.987 2.064 -0.776 1.00 3.74 H new ATOM 813 N SER A 52 -18.028 -3.984 0.233 1.00 1.60 N ATOM 814 CA SER A 52 -19.001 -4.980 0.658 1.00 1.96 C ATOM 815 C SER A 52 -19.513 -5.707 -0.582 1.00 1.85 C ATOM 816 O SER A 52 -19.636 -5.114 -1.659 1.00 2.45 O ATOM 817 CB SER A 52 -20.167 -4.319 1.409 1.00 2.44 C ATOM 818 OG SER A 52 -19.731 -3.794 2.661 1.00 2.65 O ATOM 0 H SER A 52 -18.246 -3.561 -0.669 1.00 1.60 H new ATOM 0 HA SER A 52 -18.529 -5.687 1.340 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.590 -3.519 0.801 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.960 -5.048 1.572 1.00 2.44 H new ATOM 0 HG SER A 52 -20.488 -3.376 3.122 1.00 2.65 H new ATOM 824 N GLU A 53 -19.769 -6.998 -0.417 1.00 1.45 N ATOM 825 CA GLU A 53 -20.234 -7.886 -1.496 1.00 1.37 C ATOM 826 C GLU A 53 -19.120 -8.055 -2.529 1.00 1.08 C ATOM 827 O GLU A 53 -19.324 -7.862 -3.729 1.00 1.24 O ATOM 828 CB GLU A 53 -21.515 -7.350 -2.168 1.00 1.73 C ATOM 829 CG GLU A 53 -22.633 -7.068 -1.158 1.00 2.39 C ATOM 830 CD GLU A 53 -23.062 -8.343 -0.445 1.00 2.88 C ATOM 831 OE1 GLU A 53 -22.995 -9.433 -1.053 1.00 3.46 O ATOM 832 OE2 GLU A 53 -23.475 -8.259 0.730 1.00 3.23 O ATOM 0 H GLU A 53 -19.661 -7.473 0.479 1.00 1.45 H new ATOM 0 HA GLU A 53 -20.481 -8.854 -1.060 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.281 -6.434 -2.711 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.867 -8.075 -2.902 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.290 -6.336 -0.426 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -23.489 -6.629 -1.671 1.00 2.39 H new ATOM 839 N VAL A 54 -17.930 -8.407 -2.036 1.00 0.84 N ATOM 840 CA VAL A 54 -16.752 -8.596 -2.884 1.00 0.66 C ATOM 841 C VAL A 54 -16.870 -9.894 -3.698 1.00 0.55 C ATOM 842 O VAL A 54 -16.713 -9.853 -4.916 1.00 0.49 O ATOM 843 CB VAL A 54 -15.462 -8.561 -2.033 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.245 -9.073 -2.819 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.200 -7.142 -1.520 1.00 1.34 C ATOM 0 H VAL A 54 -17.757 -8.568 -1.044 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.696 -7.773 -3.597 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.612 -9.228 -1.184 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.359 -9.032 -2.185 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.420 -10.102 -3.131 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -14.091 -8.448 -3.699 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.288 -7.134 -0.923 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.086 -6.465 -2.366 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -16.039 -6.816 -0.906 1.00 1.34 H new ATOM 855 N PRO A 55 -17.169 -11.061 -3.061 1.00 0.62 N ATOM 856 CA PRO A 55 -17.316 -12.331 -3.783 1.00 0.59 C ATOM 857 C PRO A 55 -18.745 -12.499 -4.307 1.00 0.58 C ATOM 858 O PRO A 55 -19.638 -12.949 -3.579 1.00 0.83 O ATOM 859 CB PRO A 55 -16.986 -13.385 -2.726 1.00 0.76 C ATOM 860 CG PRO A 55 -17.296 -12.751 -1.405 1.00 0.87 C ATOM 861 CD PRO A 55 -17.414 -11.254 -1.617 1.00 0.83 C ATOM 0 HA PRO A 55 -16.672 -12.400 -4.660 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.579 -14.287 -2.875 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.938 -13.680 -2.782 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.225 -13.152 -0.999 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.510 -12.972 -0.683 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.400 -10.890 -1.330 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.686 -10.710 -1.015 1.00 0.83 H new ATOM 869 N VAL A 56 -18.961 -12.117 -5.561 1.00 0.41 N ATOM 870 CA VAL A 56 -20.286 -12.211 -6.182 1.00 0.43 C ATOM 871 C VAL A 56 -20.389 -13.472 -7.045 1.00 0.42 C ATOM 872 O VAL A 56 -19.385 -13.992 -7.544 1.00 0.43 O ATOM 873 CB VAL A 56 -20.594 -10.917 -6.977 1.00 0.44 C ATOM 874 CG1 VAL A 56 -20.876 -11.162 -8.462 1.00 0.62 C ATOM 875 CG2 VAL A 56 -21.788 -10.205 -6.351 1.00 0.63 C ATOM 0 H VAL A 56 -18.237 -11.738 -6.172 1.00 0.41 H new ATOM 0 HA VAL A 56 -21.045 -12.301 -5.405 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.697 -10.301 -6.923 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.083 -10.212 -8.955 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -20.007 -11.629 -8.925 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -21.739 -11.820 -8.565 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -22.004 -9.295 -6.911 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -22.658 -10.862 -6.377 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -21.558 -9.949 -5.317 1.00 0.63 H new ATOM 885 N SER A 57 -21.615 -13.963 -7.197 1.00 0.47 N ATOM 886 CA SER A 57 -21.898 -15.163 -7.973 1.00 0.48 C ATOM 887 C SER A 57 -21.964 -14.852 -9.474 1.00 0.46 C ATOM 888 O SER A 57 -22.668 -13.931 -9.895 1.00 0.59 O ATOM 889 CB SER A 57 -23.226 -15.732 -7.496 1.00 0.61 C ATOM 890 OG SER A 57 -23.213 -15.935 -6.083 1.00 0.91 O ATOM 0 H SER A 57 -22.444 -13.536 -6.783 1.00 0.47 H new ATOM 0 HA SER A 57 -21.097 -15.887 -7.826 1.00 0.48 H new ATOM 0 HB2 SER A 57 -24.035 -15.052 -7.763 1.00 0.61 H new ATOM 0 HB3 SER A 57 -23.424 -16.677 -8.002 1.00 0.61 H new ATOM 0 HG SER A 57 -24.077 -16.300 -5.797 1.00 0.91 H new ATOM 896 N LEU A 58 -21.228 -15.634 -10.272 1.00 0.44 N ATOM 897 CA LEU A 58 -21.184 -15.470 -11.736 1.00 0.49 C ATOM 898 C LEU A 58 -21.658 -16.750 -12.441 1.00 0.60 C ATOM 899 O LEU A 58 -21.327 -16.988 -13.602 1.00 0.89 O ATOM 900 CB LEU A 58 -19.747 -15.121 -12.171 1.00 0.67 C ATOM 901 CG LEU A 58 -19.712 -14.362 -13.504 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.286 -12.952 -13.344 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.283 -14.288 -14.037 1.00 0.86 C ATOM 0 H LEU A 58 -20.646 -16.397 -9.926 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.855 -14.659 -12.021 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.272 -14.516 -11.398 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.164 -16.038 -12.262 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.329 -14.906 -14.219 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.250 -12.434 -14.302 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.320 -13.016 -13.004 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.697 -12.400 -12.611 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -18.275 -13.747 -14.983 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -17.652 -13.768 -13.316 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -17.900 -15.297 -14.193 1.00 0.86 H new ATOM 915 N LYS A 59 -22.450 -17.567 -11.745 1.00 0.70 N ATOM 916 CA LYS A 59 -22.977 -18.808 -12.314 1.00 0.90 C ATOM 917 C LYS A 59 -24.197 -18.494 -13.181 1.00 0.87 C ATOM 918 O LYS A 59 -25.250 -18.116 -12.665 1.00 0.95 O ATOM 919 CB LYS A 59 -23.354 -19.784 -11.188 1.00 1.13 C ATOM 920 CG LYS A 59 -23.964 -21.077 -11.746 1.00 1.41 C ATOM 921 CD LYS A 59 -23.699 -22.286 -10.833 1.00 1.78 C ATOM 922 CE LYS A 59 -25.000 -22.860 -10.253 1.00 2.18 C ATOM 923 NZ LYS A 59 -25.320 -22.279 -8.919 1.00 2.83 N ATOM 0 H LYS A 59 -22.741 -17.391 -10.783 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.213 -19.276 -12.934 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -22.468 -20.023 -10.600 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.065 -19.306 -10.514 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -25.039 -20.946 -11.869 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -23.551 -21.274 -12.735 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -23.180 -23.061 -11.398 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -23.038 -21.988 -10.019 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -25.822 -22.662 -10.941 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -24.911 -23.943 -10.165 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.205 -22.693 -8.563 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -24.548 -22.489 -8.255 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -25.431 -21.249 -9.007 1.00 2.83 H new ATOM 937 N GLU A 60 -24.039 -18.644 -14.500 1.00 0.89 N ATOM 938 CA GLU A 60 -25.107 -18.376 -15.476 1.00 0.93 C ATOM 939 C GLU A 60 -25.487 -16.887 -15.472 1.00 0.71 C ATOM 940 O GLU A 60 -26.669 -16.530 -15.432 1.00 0.82 O ATOM 941 CB GLU A 60 -26.342 -19.256 -15.192 1.00 1.20 C ATOM 942 CG GLU A 60 -25.962 -20.738 -15.049 1.00 1.43 C ATOM 943 CD GLU A 60 -27.182 -21.590 -14.712 1.00 1.80 C ATOM 944 OE1 GLU A 60 -28.200 -21.025 -14.264 1.00 2.04 O ATOM 945 OE2 GLU A 60 -27.136 -22.823 -14.893 1.00 2.33 O ATOM 0 H GLU A 60 -23.165 -18.955 -14.925 1.00 0.89 H new ATOM 0 HA GLU A 60 -24.731 -18.628 -16.468 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.829 -18.915 -14.279 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.064 -19.142 -16.000 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -25.513 -21.092 -15.977 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -25.210 -20.850 -14.268 1.00 1.43 H new ATOM 952 N ALA A 61 -24.469 -16.022 -15.513 1.00 0.51 N ATOM 953 CA ALA A 61 -24.667 -14.569 -15.511 1.00 0.35 C ATOM 954 C ALA A 61 -25.144 -14.079 -16.880 1.00 0.35 C ATOM 955 O ALA A 61 -24.708 -14.588 -17.916 1.00 0.43 O ATOM 956 CB ALA A 61 -23.357 -13.865 -15.142 1.00 0.31 C ATOM 0 H ALA A 61 -23.490 -16.307 -15.548 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.432 -14.331 -14.772 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.511 -12.786 -15.142 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.038 -14.186 -14.150 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.588 -14.122 -15.871 1.00 0.31 H new ATOM 962 N ILE A 62 -26.021 -13.076 -16.876 1.00 0.34 N ATOM 963 CA ILE A 62 -26.543 -12.489 -18.112 1.00 0.37 C ATOM 964 C ILE A 62 -25.750 -11.219 -18.424 1.00 0.31 C ATOM 965 O ILE A 62 -25.448 -10.433 -17.524 1.00 0.31 O ATOM 966 CB ILE A 62 -28.040 -12.179 -17.960 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.848 -13.477 -17.830 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.554 -11.349 -19.138 1.00 0.57 C ATOM 969 CD1 ILE A 62 -29.660 -13.504 -16.534 1.00 1.27 C ATOM 0 H ILE A 62 -26.388 -12.650 -16.025 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.432 -13.193 -18.936 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.170 -11.593 -17.050 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -29.519 -13.576 -18.683 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.172 -14.332 -17.855 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.616 -11.145 -19.003 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.007 -10.408 -19.186 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.406 -11.902 -20.065 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.220 -14.437 -16.475 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -28.986 -13.431 -15.681 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.354 -12.663 -16.522 1.00 1.27 H new ATOM 981 N CYS A 63 -25.403 -11.026 -19.692 1.00 0.34 N ATOM 982 CA CYS A 63 -24.626 -9.862 -20.120 1.00 0.33 C ATOM 983 C CYS A 63 -25.181 -9.302 -21.435 1.00 0.34 C ATOM 984 O CYS A 63 -25.631 -10.054 -22.308 1.00 0.52 O ATOM 985 CB CYS A 63 -23.149 -10.265 -20.267 1.00 0.37 C ATOM 986 SG CYS A 63 -22.040 -8.851 -20.401 1.00 0.53 S ATOM 0 H CYS A 63 -25.649 -11.665 -20.449 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.703 -9.076 -19.369 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.856 -10.869 -19.408 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -23.036 -10.893 -21.151 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.611 -7.802 -19.888 1.00 0.53 H new ATOM 992 N GLU A 64 -25.146 -7.973 -21.561 1.00 0.26 N ATOM 993 CA GLU A 64 -25.636 -7.268 -22.750 1.00 0.29 C ATOM 994 C GLU A 64 -24.675 -6.132 -23.104 1.00 0.24 C ATOM 995 O GLU A 64 -24.035 -5.556 -22.226 1.00 0.36 O ATOM 996 CB GLU A 64 -27.038 -6.703 -22.486 1.00 0.33 C ATOM 997 CG GLU A 64 -28.082 -7.819 -22.361 1.00 0.81 C ATOM 998 CD GLU A 64 -29.439 -7.236 -22.005 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.979 -6.442 -22.798 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -29.976 -7.575 -20.930 1.00 1.96 O ATOM 0 H GLU A 64 -24.776 -7.353 -20.840 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.690 -7.968 -23.584 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.026 -6.111 -21.571 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.319 -6.031 -23.297 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.150 -8.369 -23.300 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.773 -8.531 -21.596 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.584 -5.808 -24.390 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.700 -4.737 -24.867 1.00 0.32 C ATOM 1009 C VAL A 65 -24.403 -3.380 -24.763 1.00 0.31 C ATOM 1010 O VAL A 65 -25.590 -3.262 -25.072 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.284 -5.000 -26.326 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.149 -4.062 -26.745 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.859 -6.457 -26.521 1.00 0.39 C ATOM 0 H VAL A 65 -25.113 -6.272 -25.128 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.808 -4.721 -24.241 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.150 -4.805 -26.958 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.872 -4.266 -27.779 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.480 -3.027 -26.655 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.286 -4.224 -26.099 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.570 -6.616 -27.560 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -22.013 -6.679 -25.871 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.691 -7.115 -26.271 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.656 -2.358 -24.341 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.177 -0.994 -24.205 1.00 0.31 C ATOM 1025 C ALA A 66 -23.251 -0.029 -24.948 1.00 0.34 C ATOM 1026 O ALA A 66 -22.444 0.692 -24.347 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.291 -0.615 -22.724 1.00 0.36 C ATOM 0 H ALA A 66 -22.673 -2.451 -24.084 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.174 -0.935 -24.641 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.679 0.400 -22.637 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -24.968 -1.307 -22.223 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.307 -0.669 -22.258 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.363 -0.050 -26.276 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.546 0.789 -27.164 1.00 0.71 C ATOM 1035 C LEU A 67 -23.054 2.236 -27.187 1.00 0.89 C ATOM 1036 O LEU A 67 -22.261 3.176 -27.255 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.558 0.200 -28.587 1.00 0.76 C ATOM 1038 CG LEU A 67 -21.157 0.196 -29.206 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -20.312 -0.934 -28.622 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -21.244 0.062 -30.727 1.00 1.39 C ATOM 0 H LEU A 67 -24.023 -0.649 -26.771 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.525 0.800 -26.782 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.946 -0.818 -28.557 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -23.233 0.780 -29.216 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.676 1.145 -28.967 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -19.321 -0.919 -29.075 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -20.220 -0.800 -27.544 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.791 -1.891 -28.829 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -20.240 0.061 -31.150 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -21.746 -0.871 -30.982 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -21.808 0.901 -31.134 1.00 1.39 H new ATOM 1052 N ASP A 68 -24.379 2.408 -27.144 1.00 0.90 N ATOM 1053 CA ASP A 68 -25.006 3.743 -27.181 1.00 1.14 C ATOM 1054 C ASP A 68 -24.794 4.528 -25.873 1.00 0.87 C ATOM 1055 O ASP A 68 -25.096 5.720 -25.811 1.00 1.00 O ATOM 1056 CB ASP A 68 -26.507 3.609 -27.476 1.00 1.59 C ATOM 1057 CG ASP A 68 -27.086 4.942 -27.951 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -26.517 5.545 -28.879 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -28.117 5.381 -27.404 1.00 2.62 O ATOM 0 H ASP A 68 -25.045 1.638 -27.083 1.00 0.90 H new ATOM 0 HA ASP A 68 -24.521 4.307 -27.978 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -26.666 2.846 -28.238 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -27.031 3.278 -26.579 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.254 3.877 -24.838 1.00 0.81 N ATOM 1065 CA TYR A 69 -23.984 4.536 -23.555 1.00 0.69 C ATOM 1066 C TYR A 69 -22.678 5.333 -23.689 1.00 0.97 C ATOM 1067 O TYR A 69 -21.616 4.909 -23.235 1.00 1.47 O ATOM 1068 CB TYR A 69 -23.905 3.482 -22.430 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.598 3.914 -21.152 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -25.981 4.001 -21.113 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -23.860 4.221 -20.018 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.625 4.387 -19.947 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.507 4.608 -18.849 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.887 4.691 -18.823 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.529 5.073 -17.665 1.00 0.97 O ATOM 0 H TYR A 69 -23.994 2.891 -24.863 1.00 0.81 H new ATOM 0 HA TYR A 69 -24.789 5.223 -23.294 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.352 2.552 -22.781 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -22.858 3.270 -22.213 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.559 3.767 -21.995 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -22.782 4.159 -20.043 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.703 4.449 -19.920 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.933 4.843 -17.965 1.00 0.64 H new ATOM 0 HH TYR A 69 -25.865 5.251 -16.966 1.00 0.97 H new ATOM 1173 N HIS A 74 -16.813 2.403 -24.624 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.905 1.415 -24.713 1.00 0.38 C ATOM 1175 C HIS A 74 -18.221 0.815 -23.345 1.00 0.30 C ATOM 1176 O HIS A 74 -17.328 0.644 -22.501 1.00 0.37 O ATOM 1177 CB HIS A 74 -17.524 0.292 -25.693 1.00 0.64 C ATOM 1178 CG HIS A 74 -17.493 0.721 -27.139 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -18.039 1.896 -27.603 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.981 0.121 -28.244 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -17.875 2.013 -28.899 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -17.231 0.942 -29.327 1.00 1.53 N ATOM 0 HA HIS A 74 -18.794 1.931 -25.076 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -16.543 -0.097 -25.419 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -18.234 -0.528 -25.583 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -16.469 -0.830 -28.272 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -18.208 2.840 -29.509 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -16.964 0.753 -30.293 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.504 0.497 -23.136 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.986 -0.082 -21.882 1.00 0.23 C ATOM 1192 C VAL A 75 -20.737 -1.392 -22.156 1.00 0.22 C ATOM 1193 O VAL A 75 -21.170 -1.653 -23.283 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.924 0.937 -21.202 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.313 0.500 -19.785 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.281 2.325 -21.169 1.00 0.31 C ATOM 0 H VAL A 75 -20.235 0.635 -23.833 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.143 -0.305 -21.228 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.836 0.982 -21.797 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -21.974 1.246 -19.343 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -21.827 -0.460 -19.829 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.415 0.403 -19.175 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.959 3.029 -20.686 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.346 2.280 -20.611 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -20.079 2.657 -22.187 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.914 -2.198 -21.116 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.646 -3.455 -21.213 1.00 0.23 C ATOM 1208 C PHE A 76 -22.330 -3.728 -19.880 1.00 0.22 C ATOM 1209 O PHE A 76 -21.770 -3.465 -18.815 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.738 -4.622 -21.639 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.627 -4.980 -20.667 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.407 -4.325 -20.737 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -19.837 -5.938 -19.685 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.401 -4.627 -19.834 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.827 -6.245 -18.787 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.585 -5.678 -18.921 1.00 0.29 C ATOM 0 H PHE A 76 -20.554 -1.999 -20.182 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.401 -3.366 -21.994 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.359 -5.504 -21.793 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.289 -4.376 -22.601 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.241 -3.577 -21.498 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.789 -6.445 -19.621 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.483 -4.059 -19.832 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.019 -6.934 -17.978 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.756 -6.037 -18.329 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.555 -4.235 -19.943 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.337 -4.529 -18.744 1.00 0.28 C ATOM 1228 C LYS A 77 -24.089 -5.964 -18.290 1.00 0.31 C ATOM 1229 O LYS A 77 -23.971 -6.872 -19.112 1.00 0.58 O ATOM 1230 CB LYS A 77 -25.840 -4.329 -19.008 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.127 -3.121 -19.911 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.386 -2.370 -19.461 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.672 -3.108 -19.862 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.720 -3.005 -18.801 1.00 1.95 N ATOM 0 H LYS A 77 -24.033 -4.453 -20.817 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.022 -3.841 -17.960 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.246 -5.228 -19.471 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.357 -4.198 -18.058 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.273 -2.444 -19.897 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.251 -3.456 -20.941 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.364 -2.242 -18.379 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.389 -1.372 -19.900 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.055 -2.692 -20.794 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.446 -4.158 -20.050 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.574 -3.515 -19.106 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.363 -3.424 -17.919 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.953 -2.004 -18.639 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.037 -6.150 -16.980 1.00 0.23 N ATOM 1249 CA LEU A 78 -23.831 -7.459 -16.365 1.00 0.24 C ATOM 1250 C LEU A 78 -24.898 -7.656 -15.291 1.00 0.29 C ATOM 1251 O LEU A 78 -24.892 -6.977 -14.258 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.421 -7.545 -15.763 1.00 0.30 C ATOM 1253 CG LEU A 78 -21.689 -8.833 -16.166 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.396 -8.978 -15.366 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.572 -10.070 -15.984 1.00 0.30 C ATOM 0 H LEU A 78 -24.137 -5.392 -16.305 1.00 0.23 H new ATOM 0 HA LEU A 78 -23.918 -8.247 -17.113 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.838 -6.683 -16.086 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.489 -7.494 -14.676 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.446 -8.758 -17.226 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -19.886 -9.895 -15.661 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -19.748 -8.124 -15.563 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -20.629 -9.019 -14.302 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.017 -10.960 -16.280 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -22.866 -10.157 -14.938 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.463 -9.975 -16.604 1.00 0.30 H new ATOM 1267 N ARG A 79 -25.814 -8.578 -15.552 1.00 0.31 N ATOM 1268 CA ARG A 79 -26.907 -8.888 -14.639 1.00 0.40 C ATOM 1269 C ARG A 79 -26.615 -10.215 -13.939 1.00 0.45 C ATOM 1270 O ARG A 79 -26.559 -11.269 -14.578 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.224 -8.949 -15.421 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.432 -9.058 -14.488 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.179 -10.387 -14.676 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.604 -10.145 -14.885 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.466 -10.147 -13.882 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.926 -11.297 -13.427 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.846 -9.000 -13.337 1.00 2.99 N ATOM 0 H ARG A 79 -25.821 -9.135 -16.407 1.00 0.31 H new ATOM 0 HA ARG A 79 -26.998 -8.111 -13.880 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.321 -8.057 -16.040 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.207 -9.805 -16.096 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.101 -8.970 -13.453 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.113 -8.228 -14.677 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -29.766 -10.926 -15.529 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -30.036 -11.019 -13.800 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.944 -9.970 -15.831 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.616 -12.173 -13.848 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -33.591 -11.310 -12.654 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.474 -8.119 -13.691 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.511 -8.998 -12.563 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.409 -10.143 -12.628 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.094 -11.314 -11.811 1.00 0.68 C ATOM 1293 C LEU A 80 -27.347 -12.149 -11.539 1.00 0.84 C ATOM 1294 O LEU A 80 -28.443 -11.606 -11.361 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.480 -10.858 -10.481 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.274 -9.931 -10.688 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.701 -9.496 -9.339 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.195 -10.612 -11.533 1.00 1.26 C ATOM 0 H LEU A 80 -26.455 -9.272 -12.100 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.382 -11.934 -12.356 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.237 -10.341 -9.891 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.171 -11.731 -9.907 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.615 -9.046 -11.226 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.846 -8.839 -9.501 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -24.466 -8.963 -8.774 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -23.382 -10.375 -8.779 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.353 -9.933 -11.664 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -22.856 -11.518 -11.030 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -23.607 -10.871 -12.508 1.00 1.26 H new ATOM 1310 N SER A 81 -27.169 -13.472 -11.481 1.00 1.01 N ATOM 1311 CA SER A 81 -28.263 -14.416 -11.207 1.00 1.23 C ATOM 1312 C SER A 81 -28.551 -14.470 -9.692 1.00 1.40 C ATOM 1313 O SER A 81 -28.809 -15.534 -9.122 1.00 1.92 O ATOM 1314 CB SER A 81 -27.879 -15.805 -11.757 1.00 1.52 C ATOM 1315 OG SER A 81 -26.472 -16.022 -11.655 1.00 2.18 O ATOM 0 H SER A 81 -26.264 -13.921 -11.622 1.00 1.01 H new ATOM 0 HA SER A 81 -29.175 -14.084 -11.703 1.00 1.23 H new ATOM 0 HB2 SER A 81 -28.411 -16.579 -11.205 1.00 1.52 H new ATOM 0 HB3 SER A 81 -28.189 -15.886 -12.799 1.00 1.52 H new ATOM 0 HG SER A 81 -26.238 -16.863 -12.100 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.503 -13.296 -9.058 1.00 1.33 N ATOM 1322 CA ASP A 82 -28.747 -13.139 -7.618 1.00 1.76 C ATOM 1323 C ASP A 82 -29.843 -12.093 -7.406 1.00 1.31 C ATOM 1324 O ASP A 82 -30.871 -12.371 -6.789 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.442 -12.711 -6.920 1.00 2.76 C ATOM 1326 CG ASP A 82 -27.655 -12.465 -5.425 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -27.612 -13.431 -4.644 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -27.848 -11.297 -5.029 1.00 3.98 O ATOM 0 H ASP A 82 -28.292 -12.418 -9.532 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.075 -14.085 -7.188 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -26.685 -13.483 -7.058 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.060 -11.804 -7.387 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.611 -10.890 -7.927 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.566 -9.786 -7.814 1.00 1.53 C ATOM 1335 C GLY A 83 -29.831 -8.452 -7.797 1.00 1.31 C ATOM 1336 O GLY A 83 -30.079 -7.615 -6.904 1.00 1.88 O ATOM 0 H GLY A 83 -28.760 -10.652 -8.437 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.265 -9.813 -8.650 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.154 -9.897 -6.903 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.940 -8.259 -8.796 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.150 -7.031 -8.939 1.00 0.71 C ATOM 1342 C ASN A 84 -27.780 -6.863 -10.411 1.00 0.62 C ATOM 1343 O ASN A 84 -27.626 -7.859 -11.129 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.856 -7.101 -8.101 1.00 0.84 C ATOM 1345 CG ASN A 84 -27.124 -6.886 -6.609 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.836 -5.964 -6.217 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.545 -7.737 -5.778 1.00 1.32 N ATOM 0 H ASN A 84 -28.754 -8.953 -9.520 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.743 -6.187 -8.586 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.382 -8.071 -8.248 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.154 -6.346 -8.455 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -26.683 -7.641 -4.772 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.961 -8.489 -6.143 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.629 -5.614 -10.852 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.269 -5.306 -12.239 1.00 0.55 C ATOM 1356 C GLU A 85 -26.306 -4.112 -12.252 1.00 0.47 C ATOM 1357 O GLU A 85 -26.553 -3.091 -11.600 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.565 -5.052 -13.063 1.00 0.70 C ATOM 1359 CG GLU A 85 -28.615 -3.673 -13.729 1.00 1.16 C ATOM 1360 CD GLU A 85 -29.896 -3.520 -14.548 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.495 -4.546 -14.925 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -30.307 -2.369 -14.819 1.00 1.43 O ATOM 0 H GLU A 85 -27.752 -4.790 -10.263 1.00 0.59 H new ATOM 0 HA GLU A 85 -26.753 -6.144 -12.707 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -28.652 -5.820 -13.832 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -29.428 -5.159 -12.407 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.567 -2.894 -12.969 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -27.746 -3.543 -14.374 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.192 -4.261 -12.972 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.162 -3.214 -13.048 1.00 0.31 C ATOM 1371 C TYR A 86 -23.737 -2.936 -14.494 1.00 0.29 C ATOM 1372 O TYR A 86 -23.806 -3.814 -15.360 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.913 -3.654 -12.267 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.172 -4.010 -10.823 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.228 -3.017 -9.856 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.377 -5.329 -10.468 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.488 -3.351 -8.537 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.632 -5.660 -9.152 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.606 -4.653 -8.173 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.949 -5.006 -6.883 1.00 0.77 O ATOM 0 H TYR A 86 -24.977 -5.098 -13.514 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.594 -2.308 -12.622 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.472 -4.516 -12.767 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.175 -2.852 -12.304 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.069 -1.985 -10.131 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.338 -6.102 -11.221 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.597 -2.573 -7.796 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.849 -6.682 -8.878 1.00 0.62 H new ATOM 0 HH TYR A 86 -23.987 -5.983 -6.810 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.234 -1.719 -14.715 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.707 -1.289 -16.014 1.00 0.23 C ATOM 1392 C LEU A 87 -21.187 -1.299 -15.918 1.00 0.22 C ATOM 1393 O LEU A 87 -20.619 -0.569 -15.097 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.155 0.140 -16.371 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.665 0.267 -16.514 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.026 1.649 -17.061 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.224 -0.826 -17.421 1.00 0.38 C ATOM 0 H LEU A 87 -23.180 -1.000 -13.994 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.080 -1.964 -16.784 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.809 0.828 -15.599 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.680 0.442 -17.304 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.113 0.147 -15.528 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.109 1.730 -17.160 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.666 2.417 -16.376 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.561 1.787 -18.037 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.305 -0.711 -17.505 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -24.772 -0.745 -18.410 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -24.995 -1.803 -16.997 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.538 -2.110 -16.746 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.081 -2.204 -16.764 1.00 0.19 C ATOM 1411 C PHE A 88 -18.556 -1.534 -18.025 1.00 0.20 C ATOM 1412 O PHE A 88 -18.969 -1.871 -19.133 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.633 -3.664 -16.692 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.722 -4.215 -15.288 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.786 -3.844 -14.342 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.744 -5.077 -14.942 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.870 -4.334 -13.053 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.831 -5.573 -13.653 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.892 -5.201 -12.708 1.00 0.22 C ATOM 0 H PHE A 88 -21.003 -2.718 -17.420 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.673 -1.694 -15.892 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.251 -4.266 -17.358 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.607 -3.746 -17.049 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -16.987 -3.169 -14.611 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.478 -5.365 -15.680 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.138 -4.041 -12.315 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.630 -6.249 -13.386 1.00 0.25 H new ATOM 0 HZ PHE A 88 -18.956 -5.587 -11.701 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.666 -0.570 -17.843 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.086 0.185 -18.953 1.00 0.26 C ATOM 1431 C GLN A 89 -15.602 -0.148 -19.089 1.00 0.22 C ATOM 1432 O GLN A 89 -14.863 -0.186 -18.092 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.331 1.689 -18.726 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.175 2.583 -19.178 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.472 4.025 -18.793 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -15.761 4.615 -17.988 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -17.528 4.589 -19.356 1.00 1.63 N ATOM 0 H GLN A 89 -17.323 -0.286 -16.925 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.564 -0.093 -19.892 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.235 1.984 -19.259 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -17.516 1.860 -17.666 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.244 2.255 -18.714 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -16.039 2.503 -20.257 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -18.093 4.062 -20.022 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -17.777 5.551 -19.125 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.189 -0.384 -20.338 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.801 -0.723 -20.680 1.00 0.24 C ATOM 1448 C ALA A 90 -13.112 0.468 -21.351 1.00 0.27 C ATOM 1449 O ALA A 90 -13.743 1.496 -21.617 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.794 -1.941 -21.616 1.00 0.29 C ATOM 0 H ALA A 90 -15.810 -0.345 -21.146 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.253 -0.964 -19.769 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.766 -2.197 -21.873 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.264 -2.787 -21.115 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.347 -1.704 -22.525 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.815 0.330 -21.626 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.038 1.402 -22.266 1.00 0.44 C ATOM 1458 C LYS A 91 -10.938 1.197 -23.782 1.00 0.49 C ATOM 1459 O LYS A 91 -10.655 2.145 -24.516 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.630 1.468 -21.666 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.667 1.560 -20.134 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.031 0.326 -19.483 1.00 1.43 C ATOM 1463 CE LYS A 91 -9.892 -0.244 -18.354 1.00 1.86 C ATOM 1464 NZ LYS A 91 -9.534 -1.662 -18.076 1.00 2.29 N ATOM 0 H LYS A 91 -11.277 -0.511 -21.417 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.560 2.341 -22.080 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.066 0.584 -21.964 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.103 2.333 -22.069 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.140 2.457 -19.809 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -10.700 1.658 -19.799 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -8.875 -0.442 -20.241 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -8.049 0.591 -19.090 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -9.757 0.353 -17.452 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -10.945 -0.177 -18.626 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -9.740 -1.883 -17.081 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -10.091 -2.288 -18.692 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -8.521 -1.807 -18.261 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.159 -0.034 -24.246 1.00 0.49 N ATOM 1479 CA ASP A 92 -11.081 -0.348 -25.681 1.00 0.66 C ATOM 1480 C ASP A 92 -12.189 -1.320 -26.089 1.00 0.59 C ATOM 1481 O ASP A 92 -12.820 -1.963 -25.244 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.697 -0.944 -26.025 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.982 -0.075 -27.053 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.457 0.008 -28.201 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -7.957 0.547 -26.710 1.00 2.01 O ATOM 0 H ASP A 92 -11.393 -0.831 -23.654 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.216 0.579 -26.239 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -9.093 -1.020 -25.121 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.817 -1.955 -26.415 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.406 -1.426 -27.401 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.427 -2.319 -27.977 1.00 0.63 C ATOM 1492 C ASP A 93 -13.065 -3.788 -27.721 1.00 0.49 C ATOM 1493 O ASP A 93 -13.906 -4.578 -27.293 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.544 -2.055 -29.486 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.691 -2.858 -30.106 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -15.851 -2.408 -30.018 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -14.437 -3.939 -30.667 1.00 2.13 O ATOM 0 H ASP A 93 -11.882 -0.898 -28.099 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.386 -2.117 -27.500 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.707 -0.991 -29.659 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.607 -2.318 -29.977 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.800 -4.138 -27.974 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.301 -5.506 -27.766 1.00 0.41 C ATOM 1504 C GLU A 94 -11.442 -5.917 -26.302 1.00 0.36 C ATOM 1505 O GLU A 94 -11.825 -7.046 -26.003 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.838 -5.599 -28.201 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.724 -5.732 -29.721 1.00 1.21 C ATOM 1508 CD GLU A 94 -8.313 -5.406 -30.173 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.447 -6.300 -30.128 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -8.064 -4.247 -30.568 1.00 2.43 O ATOM 0 H GLU A 94 -11.096 -3.489 -28.326 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.898 -6.188 -28.372 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.299 -4.712 -27.869 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.366 -6.457 -27.721 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.986 -6.746 -30.025 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -10.433 -5.061 -30.206 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.153 -4.984 -25.389 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.270 -5.240 -23.949 1.00 0.29 C ATOM 1519 C GLU A 95 -12.726 -5.567 -23.594 1.00 0.24 C ATOM 1520 O GLU A 95 -13.002 -6.570 -22.935 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.787 -4.025 -23.145 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.244 -4.450 -21.772 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.394 -3.330 -20.749 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.438 -2.143 -21.147 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.459 -3.632 -19.540 1.00 1.30 O ATOM 0 H GLU A 95 -10.836 -4.043 -25.622 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.642 -6.093 -23.693 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -10.009 -3.503 -23.702 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.610 -3.322 -23.012 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.776 -5.336 -21.426 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.193 -4.725 -21.863 1.00 0.42 H new ATOM 1532 N MET A 96 -13.652 -4.723 -24.071 1.00 0.24 N ATOM 1533 CA MET A 96 -15.093 -4.915 -23.845 1.00 0.22 C ATOM 1534 C MET A 96 -15.540 -6.278 -24.397 1.00 0.22 C ATOM 1535 O MET A 96 -16.237 -7.040 -23.721 1.00 0.23 O ATOM 1536 CB MET A 96 -15.882 -3.778 -24.520 1.00 0.26 C ATOM 1537 CG MET A 96 -17.395 -3.966 -24.375 1.00 0.39 C ATOM 1538 SD MET A 96 -18.150 -4.728 -25.826 1.00 0.94 S ATOM 1539 CE MET A 96 -18.070 -3.373 -27.009 1.00 0.77 C ATOM 0 H MET A 96 -13.426 -3.894 -24.620 1.00 0.24 H new ATOM 0 HA MET A 96 -15.292 -4.895 -22.773 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.591 -2.824 -24.080 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.622 -3.734 -25.578 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.597 -4.584 -23.500 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.861 -2.997 -24.196 1.00 0.39 H new ATOM 0 HE1 MET A 96 -19.080 -3.091 -27.308 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.575 -2.518 -26.550 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.507 -3.689 -27.887 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.106 -6.579 -25.626 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.424 -7.847 -26.303 1.00 0.28 C ATOM 1551 C ASN A 97 -14.867 -9.045 -25.516 1.00 0.26 C ATOM 1552 O ASN A 97 -15.559 -10.048 -25.321 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.838 -7.825 -27.730 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.511 -8.856 -28.642 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.186 -9.778 -28.180 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -15.325 -8.700 -29.943 1.00 1.24 N ATOM 0 H ASN A 97 -14.524 -5.952 -26.182 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.507 -7.956 -26.356 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.959 -6.829 -28.157 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.767 -8.024 -27.686 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -15.747 -9.356 -30.601 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -14.760 -7.924 -30.288 1.00 1.24 H new ATOM 1563 N THR A 98 -13.616 -8.935 -25.058 1.00 0.25 N ATOM 1564 CA THR A 98 -12.970 -10.008 -24.292 1.00 0.27 C ATOM 1565 C THR A 98 -13.666 -10.225 -22.934 1.00 0.23 C ATOM 1566 O THR A 98 -13.890 -11.367 -22.534 1.00 0.27 O ATOM 1567 CB THR A 98 -11.476 -9.689 -24.091 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.855 -9.409 -25.343 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.744 -10.854 -23.421 1.00 0.39 C ATOM 0 H THR A 98 -13.029 -8.113 -25.204 1.00 0.25 H new ATOM 0 HA THR A 98 -13.061 -10.933 -24.861 1.00 0.27 H new ATOM 0 HB THR A 98 -11.413 -8.814 -23.444 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.964 -8.459 -25.557 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.692 -10.598 -23.293 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.190 -11.052 -22.446 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.827 -11.743 -24.045 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.007 -9.131 -22.237 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.678 -9.205 -20.921 1.00 0.20 C ATOM 1579 C TRP A 99 -16.003 -9.978 -21.015 1.00 0.21 C ATOM 1580 O TRP A 99 -16.257 -10.896 -20.231 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.946 -7.787 -20.380 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.793 -7.196 -19.606 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.078 -6.073 -19.932 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.236 -7.681 -18.361 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.125 -5.862 -18.976 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.191 -6.815 -18.009 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.515 -8.762 -17.517 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.441 -7.000 -16.859 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.764 -8.950 -16.364 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.736 -8.075 -16.038 1.00 0.29 C ATOM 0 H TRP A 99 -13.830 -8.180 -22.560 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.015 -9.737 -20.238 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.184 -7.129 -21.216 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.825 -7.815 -19.737 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.241 -5.455 -20.803 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.455 -5.093 -18.986 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.312 -9.448 -17.762 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.642 -6.319 -16.608 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -12.982 -9.785 -15.714 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.162 -8.234 -15.137 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.842 -9.597 -21.983 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.148 -10.237 -22.197 1.00 0.24 C ATOM 1603 C ILE A 100 -17.976 -11.726 -22.539 1.00 0.28 C ATOM 1604 O ILE A 100 -18.641 -12.585 -21.953 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.913 -9.507 -23.317 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.209 -8.059 -22.914 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.222 -10.223 -23.660 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.747 -7.258 -24.093 1.00 0.29 C ATOM 0 H ILE A 100 -16.639 -8.842 -22.638 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.726 -10.169 -21.275 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.276 -9.511 -24.202 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.935 -8.046 -22.101 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.300 -7.590 -22.537 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.736 -9.681 -24.454 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -20.005 -11.237 -23.995 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.858 -10.261 -22.776 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.948 -6.235 -23.776 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.009 -7.251 -24.895 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.670 -7.714 -24.452 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.076 -12.027 -23.482 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.813 -13.416 -23.893 1.00 0.35 C ATOM 1622 C GLN A 101 -16.232 -14.234 -22.734 1.00 0.36 C ATOM 1623 O GLN A 101 -16.527 -15.424 -22.597 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.852 -13.443 -25.089 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.519 -12.908 -26.366 1.00 0.48 C ATOM 1626 CD GLN A 101 -17.689 -13.794 -26.790 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -17.562 -15.015 -26.872 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -18.829 -13.180 -27.065 1.00 1.76 N ATOM 0 H GLN A 101 -16.517 -11.331 -23.976 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.761 -13.866 -24.186 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.970 -12.844 -24.861 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.509 -14.464 -25.258 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.872 -11.891 -26.196 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.785 -12.860 -27.170 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -18.894 -12.165 -26.985 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -19.642 -13.722 -27.357 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.421 -13.585 -21.895 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.807 -14.239 -20.735 1.00 0.37 C ATOM 1639 C ALA A 102 -15.871 -14.599 -19.695 1.00 0.38 C ATOM 1640 O ALA A 102 -15.924 -15.729 -19.229 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.750 -13.324 -20.108 1.00 0.38 C ATOM 0 H ALA A 102 -15.173 -12.601 -21.998 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.326 -15.157 -21.073 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.302 -13.822 -19.248 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -12.976 -13.104 -20.844 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.219 -12.394 -19.786 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.727 -13.633 -19.344 1.00 0.33 N ATOM 1648 CA ILE A 103 -17.801 -13.849 -18.357 1.00 0.38 C ATOM 1649 C ILE A 103 -18.782 -14.929 -18.835 1.00 0.47 C ATOM 1650 O ILE A 103 -19.267 -15.733 -18.039 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.544 -12.521 -18.096 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.629 -11.530 -17.358 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -19.842 -12.744 -17.297 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -17.976 -10.074 -17.687 1.00 0.35 C ATOM 0 H ILE A 103 -16.700 -12.689 -19.728 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.352 -14.197 -17.427 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.817 -12.101 -19.064 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -17.715 -11.689 -16.283 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.591 -11.725 -17.628 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.337 -11.787 -17.133 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.505 -13.404 -17.856 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -19.604 -13.199 -16.336 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.305 -9.408 -17.144 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.865 -9.907 -18.758 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.006 -9.870 -17.393 1.00 0.35 H new ATOM 1666 N SER A 104 -19.062 -14.946 -20.138 1.00 0.53 N ATOM 1667 CA SER A 104 -19.981 -15.932 -20.727 1.00 0.66 C ATOM 1668 C SER A 104 -19.333 -17.326 -20.829 1.00 0.72 C ATOM 1669 O SER A 104 -20.011 -18.307 -21.134 1.00 0.89 O ATOM 1670 CB SER A 104 -20.425 -15.460 -22.117 1.00 0.81 C ATOM 1671 OG SER A 104 -20.907 -14.119 -22.066 1.00 1.05 O ATOM 0 H SER A 104 -18.667 -14.289 -20.811 1.00 0.53 H new ATOM 0 HA SER A 104 -20.848 -16.016 -20.071 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.588 -15.524 -22.812 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.206 -16.118 -22.497 1.00 0.81 H new ATOM 0 HG SER A 104 -20.148 -13.499 -22.038 1.00 1.05 H new ATOM 1677 N SER A 105 -18.022 -17.405 -20.576 1.00 0.80 N ATOM 1678 CA SER A 105 -17.280 -18.668 -20.640 1.00 1.13 C ATOM 1679 C SER A 105 -16.814 -19.103 -19.245 1.00 1.23 C ATOM 1680 O SER A 105 -17.276 -20.116 -18.719 1.00 1.61 O ATOM 1681 CB SER A 105 -16.069 -18.507 -21.571 1.00 1.48 C ATOM 1682 OG SER A 105 -16.492 -18.210 -22.897 1.00 1.63 O ATOM 0 H SER A 105 -17.449 -16.600 -20.323 1.00 0.80 H new ATOM 0 HA SER A 105 -17.943 -19.440 -21.032 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.424 -17.710 -21.202 1.00 1.48 H new ATOM 0 HB3 SER A 105 -15.478 -19.423 -21.569 1.00 1.48 H new ATOM 0 HG SER A 105 -16.572 -17.239 -23.005 1.00 1.63 H new ATOM 1688 N ALA A 106 -15.902 -18.330 -18.657 1.00 1.29 N ATOM 1689 CA ALA A 106 -15.342 -18.603 -17.333 1.00 1.59 C ATOM 1690 C ALA A 106 -14.200 -17.621 -17.066 1.00 2.40 C ATOM 1691 O ALA A 106 -13.986 -17.241 -15.902 1.00 3.00 O ATOM 1692 CB ALA A 106 -14.817 -20.043 -17.253 1.00 1.90 C ATOM 1693 OXT ALA A 106 -13.497 -17.246 -18.030 1.00 3.05 O ATOM 0 H ALA A 106 -15.527 -17.487 -19.091 1.00 1.29 H new ATOM 0 HA ALA A 106 -16.123 -18.482 -16.583 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -14.405 -20.225 -16.261 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -15.635 -20.739 -17.440 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -14.038 -20.188 -18.002 1.00 1.90 H new