USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 LYS NZ :NH3+ -176:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 138:sc= 1.03 USER MOD Single : A 1 MET CE :methyl 168:sc= 0 (180deg=-0.227) USER MOD Single : A 1 MET N :NH3+ 178:sc= 2.23 (180deg=2.15) USER MOD Single : A 2 GLN : amide:sc= 1.03 K(o=1,f=-0.32) USER MOD Single : A 7 THR OG1 : rot -24:sc= 0.514 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A 11 LYS NZ :NH3+ -123:sc= 1.16 (180deg=-1.24!) USER MOD Single : A 14 THR OG1 : rot -96:sc= 0.0382 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00455 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.318 USER MOD Single : A 25 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.0051) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 1.28 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ -127:sc= 1.06 (180deg=-0.795!) USER MOD Single : A 31 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.62 K(o=1.6,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.01 K(o=1,f=-0.022) USER MOD Single : A 55 THR OG1 : rot -76:sc= 1.14 USER MOD Single : A 57 SER OG : rot 73:sc= 0.582 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.863 USER MOD Single : A 60 ASN : amide:sc= -0.0301 X(o=-0.03,f=0.26) USER MOD Single : A 62 GLN : amide:sc= -0.0601 X(o=-0.06,f=-0.37) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -160:sc= -0.0855 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.904 32.139 15.429 1.00 0.00 N ATOM 2 CA MET A 1 13.807 32.338 16.886 1.00 0.00 C ATOM 3 C MET A 1 15.202 32.524 17.497 1.00 0.00 C ATOM 4 O MET A 1 16.153 31.995 16.912 1.00 0.00 O ATOM 5 CB MET A 1 13.136 31.142 17.549 1.00 0.00 C ATOM 6 CG MET A 1 13.871 29.804 17.551 1.00 0.00 C ATOM 7 SD MET A 1 12.953 28.249 17.700 1.00 0.00 S ATOM 8 CE MET A 1 14.224 27.091 18.275 1.00 0.00 C ATOM 0 H1 MET A 1 12.954 31.981 15.036 1.00 0.00 H new ATOM 0 H2 MET A 1 14.324 32.983 14.990 1.00 0.00 H new ATOM 0 H3 MET A 1 14.503 31.312 15.231 1.00 0.00 H new ATOM 0 HA MET A 1 13.209 33.232 17.060 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.931 31.409 18.586 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.173 30.990 17.062 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.445 29.751 16.626 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.589 29.833 18.370 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.751 26.167 18.606 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.914 26.874 17.460 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.772 27.536 19.106 1.00 0.00 H new ATOM 20 N GLN A 2 15.375 33.334 18.534 1.00 0.00 N ATOM 21 CA GLN A 2 16.626 33.547 19.234 1.00 0.00 C ATOM 22 C GLN A 2 16.848 32.572 20.385 1.00 0.00 C ATOM 23 O GLN A 2 15.907 32.051 20.976 1.00 0.00 O ATOM 24 CB GLN A 2 16.670 34.948 19.835 1.00 0.00 C ATOM 25 CG GLN A 2 16.021 36.013 18.961 1.00 0.00 C ATOM 26 CD GLN A 2 16.677 36.161 17.602 1.00 0.00 C ATOM 27 OE1 GLN A 2 17.879 36.235 17.335 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.810 36.127 16.593 1.00 0.00 N ATOM 0 H GLN A 2 14.609 33.883 18.924 1.00 0.00 H new ATOM 0 HA GLN A 2 17.402 33.398 18.483 1.00 0.00 H new ATOM 0 HB2 GLN A 2 16.171 34.933 20.804 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.709 35.223 20.016 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.968 35.767 18.823 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.059 36.971 19.480 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.810 36.066 16.782 1.00 0.00 H new ATOM 0 HE22 GLN A 2 16.146 36.162 15.631 1.00 0.00 H new ATOM 37 N ILE A 3 18.100 32.139 20.520 1.00 0.00 N ATOM 38 CA ILE A 3 18.642 31.337 21.600 1.00 0.00 C ATOM 39 C ILE A 3 19.980 31.961 22.020 1.00 0.00 C ATOM 40 O ILE A 3 20.599 32.732 21.289 1.00 0.00 O ATOM 41 CB ILE A 3 18.764 29.862 21.231 1.00 0.00 C ATOM 42 CG1 ILE A 3 19.687 29.456 20.079 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.359 29.277 21.057 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.121 27.991 20.180 1.00 0.00 C ATOM 0 H ILE A 3 18.810 32.360 19.822 1.00 0.00 H new ATOM 0 HA ILE A 3 17.956 31.346 22.447 1.00 0.00 H new ATOM 0 HB ILE A 3 19.298 29.429 22.077 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.175 29.618 19.130 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.569 30.096 20.079 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.434 28.222 20.793 1.00 0.00 H new ATOM 0 HG22 ILE A 3 16.804 29.379 21.990 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.837 29.813 20.264 1.00 0.00 H new ATOM 0 HD11 ILE A 3 20.775 27.747 19.343 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.657 27.834 21.116 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.241 27.348 20.153 1.00 0.00 H new ATOM 56 N PHE A 4 20.469 31.648 23.211 1.00 0.00 N ATOM 57 CA PHE A 4 21.595 32.285 23.864 1.00 0.00 C ATOM 58 C PHE A 4 22.659 31.235 24.207 1.00 0.00 C ATOM 59 O PHE A 4 22.355 30.301 24.949 1.00 0.00 O ATOM 60 CB PHE A 4 21.125 33.000 25.133 1.00 0.00 C ATOM 61 CG PHE A 4 20.068 34.050 24.890 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.374 35.173 24.108 1.00 0.00 C ATOM 63 CD2 PHE A 4 18.771 33.800 25.340 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.310 36.014 23.745 1.00 0.00 C ATOM 65 CE2 PHE A 4 17.714 34.648 24.999 1.00 0.00 C ATOM 66 CZ PHE A 4 17.997 35.696 24.119 1.00 0.00 C ATOM 0 H PHE A 4 20.066 30.901 23.776 1.00 0.00 H new ATOM 0 HA PHE A 4 22.032 33.021 23.189 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.734 32.260 25.831 1.00 0.00 H new ATOM 0 HB3 PHE A 4 21.984 33.468 25.613 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.387 35.382 23.798 1.00 0.00 H new ATOM 0 HD2 PHE A 4 18.581 32.937 25.962 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.504 36.910 23.175 1.00 0.00 H new ATOM 0 HE2 PHE A 4 16.721 34.500 25.398 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.181 36.277 23.716 1.00 0.00 H new ATOM 76 N VAL A 5 23.795 31.341 23.525 1.00 0.00 N ATOM 77 CA VAL A 5 24.914 30.450 23.756 1.00 0.00 C ATOM 78 C VAL A 5 25.774 31.326 24.667 1.00 0.00 C ATOM 79 O VAL A 5 26.173 32.448 24.340 1.00 0.00 O ATOM 80 CB VAL A 5 25.706 30.151 22.477 1.00 0.00 C ATOM 81 CG1 VAL A 5 26.863 29.220 22.857 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.928 29.568 21.295 1.00 0.00 C ATOM 0 H VAL A 5 23.960 32.043 22.803 1.00 0.00 H new ATOM 0 HA VAL A 5 24.614 29.477 24.145 1.00 0.00 H new ATOM 0 HB VAL A 5 26.035 31.119 22.099 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.449 28.986 21.968 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.500 29.712 23.592 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.464 28.299 23.281 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.607 29.405 20.458 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.478 28.619 21.588 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.144 30.264 20.996 1.00 0.00 H new ATOM 92 N LYS A 6 26.124 30.666 25.771 1.00 0.00 N ATOM 93 CA LYS A 6 27.073 31.206 26.724 1.00 0.00 C ATOM 94 C LYS A 6 28.455 30.730 26.295 1.00 0.00 C ATOM 95 O LYS A 6 28.598 29.574 25.899 1.00 0.00 O ATOM 96 CB LYS A 6 26.728 30.752 28.141 1.00 0.00 C ATOM 97 CG LYS A 6 25.395 31.232 28.698 1.00 0.00 C ATOM 98 CD LYS A 6 25.448 32.696 29.115 1.00 0.00 C ATOM 99 CE LYS A 6 24.004 33.189 29.227 1.00 0.00 C ATOM 100 NZ LYS A 6 23.932 34.656 29.348 1.00 0.00 N ATOM 0 H LYS A 6 25.756 29.748 26.022 1.00 0.00 H new ATOM 0 HA LYS A 6 27.044 32.296 26.737 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.735 29.662 28.162 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.520 31.089 28.810 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.617 31.097 27.946 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.119 30.620 29.556 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.967 32.806 30.067 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.999 33.285 28.382 1.00 0.00 H new ATOM 0 HE2 LYS A 6 23.442 32.869 28.349 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.530 32.729 30.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.943 34.945 29.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.503 34.966 30.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 24.300 35.094 28.479 1.00 0.00 H new ATOM 114 N THR A 7 29.427 31.643 26.326 1.00 0.00 N ATOM 115 CA THR A 7 30.811 31.240 26.210 1.00 0.00 C ATOM 116 C THR A 7 31.549 31.551 27.507 1.00 0.00 C ATOM 117 O THR A 7 31.273 32.574 28.131 1.00 0.00 O ATOM 118 CB THR A 7 31.541 31.706 24.944 1.00 0.00 C ATOM 119 OG1 THR A 7 31.387 33.083 24.731 1.00 0.00 O ATOM 120 CG2 THR A 7 31.048 30.937 23.712 1.00 0.00 C ATOM 0 H THR A 7 29.277 32.647 26.429 1.00 0.00 H new ATOM 0 HA THR A 7 30.807 30.160 26.065 1.00 0.00 H new ATOM 0 HB THR A 7 32.600 31.499 25.096 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.573 33.394 25.179 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.581 31.286 22.828 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.233 29.872 23.850 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.979 31.106 23.581 1.00 0.00 H new ATOM 128 N LEU A 8 32.342 30.663 28.117 1.00 0.00 N ATOM 129 CA LEU A 8 32.569 30.644 29.546 1.00 0.00 C ATOM 130 C LEU A 8 33.455 31.781 30.048 1.00 0.00 C ATOM 131 O LEU A 8 33.569 31.863 31.261 1.00 0.00 O ATOM 132 CB LEU A 8 33.117 29.296 30.013 1.00 0.00 C ATOM 133 CG LEU A 8 32.364 28.060 29.511 1.00 0.00 C ATOM 134 CD1 LEU A 8 32.997 26.886 30.261 1.00 0.00 C ATOM 135 CD2 LEU A 8 30.872 28.204 29.819 1.00 0.00 C ATOM 0 H LEU A 8 32.846 29.932 27.615 1.00 0.00 H new ATOM 0 HA LEU A 8 31.586 30.800 29.990 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.157 29.218 29.696 1.00 0.00 H new ATOM 0 HB3 LEU A 8 33.114 29.282 31.103 1.00 0.00 H new ATOM 0 HG LEU A 8 32.438 27.919 28.433 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.513 25.957 29.958 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.060 26.835 30.026 1.00 0.00 H new ATOM 0 HD13 LEU A 8 32.869 27.029 31.334 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.340 27.323 29.460 1.00 0.00 H new ATOM 0 HD22 LEU A 8 30.730 28.300 30.895 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.482 29.091 29.321 1.00 0.00 H new ATOM 147 N THR A 9 34.025 32.651 29.213 1.00 0.00 N ATOM 148 CA THR A 9 34.506 33.959 29.580 1.00 0.00 C ATOM 149 C THR A 9 33.436 35.036 29.772 1.00 0.00 C ATOM 150 O THR A 9 33.734 36.153 30.186 1.00 0.00 O ATOM 151 CB THR A 9 35.579 34.317 28.547 1.00 0.00 C ATOM 152 OG1 THR A 9 34.980 33.954 27.322 1.00 0.00 O ATOM 153 CG2 THR A 9 36.887 33.523 28.506 1.00 0.00 C ATOM 0 H THR A 9 34.164 32.443 28.224 1.00 0.00 H new ATOM 0 HA THR A 9 34.923 33.922 30.587 1.00 0.00 H new ATOM 0 HB THR A 9 35.855 35.347 28.772 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.597 34.149 26.586 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.526 33.915 27.714 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.399 33.615 29.464 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.669 32.473 28.310 1.00 0.00 H new ATOM 161 N GLY A 10 32.153 34.783 29.489 1.00 0.00 N ATOM 162 CA GLY A 10 31.043 35.549 30.005 1.00 0.00 C ATOM 163 C GLY A 10 30.126 36.018 28.864 1.00 0.00 C ATOM 164 O GLY A 10 29.058 36.512 29.204 1.00 0.00 O ATOM 0 H GLY A 10 31.865 34.018 28.879 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.473 34.943 30.710 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.416 36.412 30.556 1.00 0.00 H new ATOM 168 N LYS A 11 30.547 35.770 27.623 1.00 0.00 N ATOM 169 CA LYS A 11 30.016 36.372 26.424 1.00 0.00 C ATOM 170 C LYS A 11 28.814 35.492 26.064 1.00 0.00 C ATOM 171 O LYS A 11 28.985 34.287 25.881 1.00 0.00 O ATOM 172 CB LYS A 11 31.088 36.380 25.334 1.00 0.00 C ATOM 173 CG LYS A 11 31.083 37.698 24.561 1.00 0.00 C ATOM 174 CD LYS A 11 32.272 37.730 23.599 1.00 0.00 C ATOM 175 CE LYS A 11 32.044 38.676 22.415 1.00 0.00 C ATOM 176 NZ LYS A 11 33.110 38.518 21.413 1.00 0.00 N ATOM 0 H LYS A 11 31.302 35.112 27.430 1.00 0.00 H new ATOM 0 HA LYS A 11 29.715 37.412 26.547 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.068 36.223 25.784 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.917 35.552 24.646 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.150 37.803 24.007 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.139 38.538 25.253 1.00 0.00 H new ATOM 0 HD2 LYS A 11 33.165 38.040 24.141 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.460 36.724 23.225 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.076 38.470 21.959 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.018 39.707 22.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.573 39.435 21.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.811 37.832 21.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.700 38.175 20.521 1.00 0.00 H new ATOM 190 N THR A 12 27.682 36.170 25.885 1.00 0.00 N ATOM 191 CA THR A 12 26.434 35.593 25.433 1.00 0.00 C ATOM 192 C THR A 12 26.252 35.766 23.927 1.00 0.00 C ATOM 193 O THR A 12 25.956 36.861 23.452 1.00 0.00 O ATOM 194 CB THR A 12 25.340 36.327 26.208 1.00 0.00 C ATOM 195 OG1 THR A 12 25.614 35.752 27.465 1.00 0.00 O ATOM 196 CG2 THR A 12 23.898 36.065 25.773 1.00 0.00 C ATOM 0 H THR A 12 27.615 37.173 26.059 1.00 0.00 H new ATOM 0 HA THR A 12 26.404 34.519 25.614 1.00 0.00 H new ATOM 0 HB THR A 12 25.374 37.412 26.105 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.564 36.443 28.159 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.218 36.643 26.399 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.773 36.361 24.732 1.00 0.00 H new ATOM 0 HG23 THR A 12 23.674 35.004 25.878 1.00 0.00 H new ATOM 204 N ILE A 13 26.496 34.736 23.110 1.00 0.00 N ATOM 205 CA ILE A 13 26.329 34.749 21.670 1.00 0.00 C ATOM 206 C ILE A 13 24.861 34.412 21.432 1.00 0.00 C ATOM 207 O ILE A 13 24.307 33.349 21.725 1.00 0.00 O ATOM 208 CB ILE A 13 27.257 33.722 21.012 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.507 33.360 21.819 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.636 34.115 19.583 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.447 34.549 22.025 1.00 0.00 C ATOM 0 H ILE A 13 26.829 33.837 23.458 1.00 0.00 H new ATOM 0 HA ILE A 13 26.588 35.713 21.233 1.00 0.00 H new ATOM 0 HB ILE A 13 26.654 32.814 20.983 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.205 32.969 22.791 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.045 32.562 21.307 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.294 33.356 19.159 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.734 34.193 18.976 1.00 0.00 H new ATOM 0 HG23 ILE A 13 28.150 35.076 19.594 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.314 34.231 22.603 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.775 34.926 21.056 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.922 35.339 22.563 1.00 0.00 H new ATOM 223 N THR A 14 24.185 35.416 20.893 1.00 0.00 N ATOM 224 CA THR A 14 22.765 35.310 20.604 1.00 0.00 C ATOM 225 C THR A 14 22.698 34.997 19.107 1.00 0.00 C ATOM 226 O THR A 14 23.085 35.786 18.252 1.00 0.00 O ATOM 227 CB THR A 14 22.010 36.624 20.807 1.00 0.00 C ATOM 228 OG1 THR A 14 22.360 37.215 22.044 1.00 0.00 O ATOM 229 CG2 THR A 14 20.488 36.434 20.753 1.00 0.00 C ATOM 0 H THR A 14 24.599 36.315 20.647 1.00 0.00 H new ATOM 0 HA THR A 14 22.316 34.567 21.263 1.00 0.00 H new ATOM 0 HB THR A 14 22.301 37.281 19.987 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.694 36.974 22.722 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.996 37.395 20.902 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.206 36.029 19.781 1.00 0.00 H new ATOM 0 HG23 THR A 14 20.180 35.743 21.537 1.00 0.00 H new ATOM 237 N LEU A 15 22.227 33.791 18.792 1.00 0.00 N ATOM 238 CA LEU A 15 22.111 33.327 17.430 1.00 0.00 C ATOM 239 C LEU A 15 20.643 33.324 16.974 1.00 0.00 C ATOM 240 O LEU A 15 19.763 33.110 17.807 1.00 0.00 O ATOM 241 CB LEU A 15 22.589 31.878 17.402 1.00 0.00 C ATOM 242 CG LEU A 15 24.040 31.640 17.827 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.451 30.187 17.579 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.964 32.624 17.118 1.00 0.00 C ATOM 0 H LEU A 15 21.916 33.112 19.487 1.00 0.00 H new ATOM 0 HA LEU A 15 22.693 33.980 16.779 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.940 31.290 18.051 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.460 31.494 16.390 1.00 0.00 H new ATOM 0 HG LEU A 15 24.127 31.816 18.899 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.486 30.044 17.889 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.805 29.523 18.153 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.355 29.958 16.518 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.993 32.445 17.428 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.881 32.488 16.040 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.679 33.643 17.378 1.00 0.00 H new ATOM 256 N GLU A 16 20.381 33.438 15.684 1.00 0.00 N ATOM 257 CA GLU A 16 19.095 33.155 15.074 1.00 0.00 C ATOM 258 C GLU A 16 19.143 31.699 14.603 1.00 0.00 C ATOM 259 O GLU A 16 20.110 31.201 14.030 1.00 0.00 O ATOM 260 CB GLU A 16 18.936 34.041 13.841 1.00 0.00 C ATOM 261 CG GLU A 16 17.651 33.965 13.007 1.00 0.00 C ATOM 262 CD GLU A 16 16.483 34.609 13.734 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.556 35.808 14.100 1.00 0.00 O ATOM 264 OE2 GLU A 16 15.488 33.901 13.989 1.00 0.00 O ATOM 0 H GLU A 16 21.083 33.741 15.009 1.00 0.00 H new ATOM 0 HA GLU A 16 18.277 33.332 15.773 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.051 35.075 14.167 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.770 33.822 13.174 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.806 34.463 12.050 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.417 32.923 12.790 1.00 0.00 H new ATOM 271 N VAL A 17 18.052 30.981 14.839 1.00 0.00 N ATOM 272 CA VAL A 17 17.839 29.565 14.616 1.00 0.00 C ATOM 273 C VAL A 17 16.396 29.262 14.181 1.00 0.00 C ATOM 274 O VAL A 17 15.570 30.170 14.285 1.00 0.00 O ATOM 275 CB VAL A 17 18.419 28.689 15.718 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.901 28.974 16.019 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.577 28.725 16.992 1.00 0.00 C ATOM 0 H VAL A 17 17.218 31.422 15.228 1.00 0.00 H new ATOM 0 HA VAL A 17 18.435 29.268 13.753 1.00 0.00 H new ATOM 0 HB VAL A 17 18.379 27.674 15.322 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.245 28.312 16.814 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.494 28.801 15.121 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.015 30.011 16.335 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.032 28.084 17.747 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.526 29.748 17.366 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.570 28.369 16.773 1.00 0.00 H new ATOM 287 N GLU A 18 16.082 28.020 13.861 1.00 0.00 N ATOM 288 CA GLU A 18 14.763 27.420 13.717 1.00 0.00 C ATOM 289 C GLU A 18 14.769 26.010 14.325 1.00 0.00 C ATOM 290 O GLU A 18 15.889 25.523 14.493 1.00 0.00 O ATOM 291 CB GLU A 18 14.461 27.393 12.226 1.00 0.00 C ATOM 292 CG GLU A 18 14.170 28.711 11.493 1.00 0.00 C ATOM 293 CD GLU A 18 12.780 29.256 11.791 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.998 28.540 12.451 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.541 30.455 11.545 1.00 0.00 O ATOM 0 H GLU A 18 16.816 27.336 13.677 1.00 0.00 H new ATOM 0 HA GLU A 18 13.994 27.987 14.242 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.309 26.922 11.729 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.601 26.739 12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.915 29.453 11.779 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.272 28.555 10.419 1.00 0.00 H new ATOM 302 N PRO A 19 13.673 25.448 14.808 1.00 0.00 N ATOM 303 CA PRO A 19 13.667 24.177 15.511 1.00 0.00 C ATOM 304 C PRO A 19 14.190 22.962 14.752 1.00 0.00 C ATOM 305 O PRO A 19 14.880 22.197 15.409 1.00 0.00 O ATOM 306 CB PRO A 19 12.215 23.982 15.955 1.00 0.00 C ATOM 307 CG PRO A 19 11.337 25.107 15.401 1.00 0.00 C ATOM 308 CD PRO A 19 12.351 26.045 14.767 1.00 0.00 C ATOM 0 HA PRO A 19 14.381 24.235 16.332 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.847 23.018 15.605 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.159 23.969 17.043 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.617 24.736 14.671 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.767 25.600 16.188 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.069 26.254 13.735 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.357 26.998 15.295 1.00 0.00 H new ATOM 316 N SER A 20 14.079 22.862 13.428 1.00 0.00 N ATOM 317 CA SER A 20 14.556 21.735 12.636 1.00 0.00 C ATOM 318 C SER A 20 15.982 21.980 12.151 1.00 0.00 C ATOM 319 O SER A 20 16.420 21.361 11.193 1.00 0.00 O ATOM 320 CB SER A 20 13.578 21.434 11.501 1.00 0.00 C ATOM 321 OG SER A 20 13.209 22.599 10.782 1.00 0.00 O ATOM 0 H SER A 20 13.640 23.588 12.861 1.00 0.00 H new ATOM 0 HA SER A 20 14.596 20.843 13.262 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.030 20.716 10.817 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.684 20.965 11.911 1.00 0.00 H new ATOM 0 HG SER A 20 12.585 22.358 10.066 1.00 0.00 H new ATOM 327 N ASP A 21 16.757 22.871 12.774 1.00 0.00 N ATOM 328 CA ASP A 21 18.023 23.274 12.193 1.00 0.00 C ATOM 329 C ASP A 21 19.158 22.524 12.898 1.00 0.00 C ATOM 330 O ASP A 21 19.153 22.530 14.126 1.00 0.00 O ATOM 331 CB ASP A 21 18.426 24.739 12.409 1.00 0.00 C ATOM 332 CG ASP A 21 17.916 25.807 11.451 1.00 0.00 C ATOM 333 OD1 ASP A 21 17.418 25.414 10.381 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.223 26.981 11.760 1.00 0.00 O ATOM 0 H ASP A 21 16.529 23.315 13.663 1.00 0.00 H new ATOM 0 HA ASP A 21 17.885 23.075 11.130 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.106 25.021 13.412 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.515 24.783 12.397 1.00 0.00 H new ATOM 339 N THR A 22 20.127 22.128 12.091 1.00 0.00 N ATOM 340 CA THR A 22 21.155 21.202 12.506 1.00 0.00 C ATOM 341 C THR A 22 22.107 21.856 13.513 1.00 0.00 C ATOM 342 O THR A 22 22.263 23.077 13.564 1.00 0.00 O ATOM 343 CB THR A 22 21.902 20.750 11.254 1.00 0.00 C ATOM 344 OG1 THR A 22 22.613 21.823 10.669 1.00 0.00 O ATOM 345 CG2 THR A 22 21.112 20.057 10.147 1.00 0.00 C ATOM 0 H THR A 22 20.219 22.444 11.126 1.00 0.00 H new ATOM 0 HA THR A 22 20.711 20.342 13.008 1.00 0.00 H new ATOM 0 HB THR A 22 22.551 19.976 11.664 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.951 21.551 9.790 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.783 19.798 9.328 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.653 19.150 10.541 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.334 20.727 9.781 1.00 0.00 H new ATOM 353 N ILE A 23 22.807 21.061 14.315 1.00 0.00 N ATOM 354 CA ILE A 23 23.946 21.538 15.071 1.00 0.00 C ATOM 355 C ILE A 23 25.068 22.049 14.147 1.00 0.00 C ATOM 356 O ILE A 23 25.763 22.955 14.583 1.00 0.00 O ATOM 357 CB ILE A 23 24.291 20.512 16.150 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.184 20.405 17.190 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.599 20.917 16.830 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.112 19.028 17.870 1.00 0.00 C ATOM 0 H ILE A 23 22.597 20.073 14.455 1.00 0.00 H new ATOM 0 HA ILE A 23 23.720 22.444 15.634 1.00 0.00 H new ATOM 0 HB ILE A 23 24.400 19.537 15.675 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.337 21.170 17.951 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.227 20.616 16.713 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.849 20.188 17.601 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.398 20.952 16.090 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.483 21.901 17.285 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.301 19.024 18.599 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.928 18.260 17.118 1.00 0.00 H new ATOM 0 HD13 ILE A 23 24.055 18.822 18.376 1.00 0.00 H new ATOM 372 N GLU A 24 25.260 21.593 12.910 1.00 0.00 N ATOM 373 CA GLU A 24 26.236 22.039 11.946 1.00 0.00 C ATOM 374 C GLU A 24 25.910 23.508 11.662 1.00 0.00 C ATOM 375 O GLU A 24 26.859 24.291 11.752 1.00 0.00 O ATOM 376 CB GLU A 24 26.005 21.076 10.772 1.00 0.00 C ATOM 377 CG GLU A 24 27.248 20.874 9.913 1.00 0.00 C ATOM 378 CD GLU A 24 28.401 20.039 10.467 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.364 19.605 11.631 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.408 19.773 9.780 1.00 0.00 O ATOM 0 H GLU A 24 24.683 20.839 12.536 1.00 0.00 H new ATOM 0 HA GLU A 24 27.288 22.016 12.231 1.00 0.00 H new ATOM 0 HB2 GLU A 24 25.678 20.111 11.160 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.198 21.460 10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 24 26.930 20.416 8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 24 27.643 21.860 9.668 1.00 0.00 H new ATOM 387 N ASN A 25 24.675 23.941 11.397 1.00 0.00 N ATOM 388 CA ASN A 25 24.247 25.287 11.076 1.00 0.00 C ATOM 389 C ASN A 25 24.378 26.222 12.278 1.00 0.00 C ATOM 390 O ASN A 25 24.838 27.345 12.084 1.00 0.00 O ATOM 391 CB ASN A 25 22.790 25.308 10.609 1.00 0.00 C ATOM 392 CG ASN A 25 22.334 26.363 9.617 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.655 26.211 8.439 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.418 27.272 9.933 1.00 0.00 N ATOM 0 H ASN A 25 23.886 23.294 11.405 1.00 0.00 H new ATOM 0 HA ASN A 25 24.899 25.634 10.274 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.574 24.334 10.171 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.165 25.404 11.497 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.987 27.837 9.202 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.146 27.405 10.907 1.00 0.00 H new ATOM 401 N VAL A 26 24.085 25.753 13.490 1.00 0.00 N ATOM 402 CA VAL A 26 24.390 26.362 14.760 1.00 0.00 C ATOM 403 C VAL A 26 25.873 26.672 14.972 1.00 0.00 C ATOM 404 O VAL A 26 26.249 27.840 15.076 1.00 0.00 O ATOM 405 CB VAL A 26 23.808 25.468 15.864 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.279 25.800 17.269 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.284 25.366 15.817 1.00 0.00 C ATOM 0 H VAL A 26 23.590 24.869 13.605 1.00 0.00 H new ATOM 0 HA VAL A 26 23.925 27.347 14.789 1.00 0.00 H new ATOM 0 HB VAL A 26 24.220 24.486 15.630 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.815 25.116 17.979 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.363 25.699 17.323 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.998 26.824 17.515 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.938 24.720 16.624 1.00 0.00 H new ATOM 0 HG22 VAL A 26 21.849 26.359 15.935 1.00 0.00 H new ATOM 0 HG23 VAL A 26 21.977 24.947 14.859 1.00 0.00 H new ATOM 417 N LYS A 27 26.717 25.645 14.898 1.00 0.00 N ATOM 418 CA LYS A 27 28.161 25.667 14.914 1.00 0.00 C ATOM 419 C LYS A 27 28.685 26.623 13.837 1.00 0.00 C ATOM 420 O LYS A 27 29.614 27.382 14.131 1.00 0.00 O ATOM 421 CB LYS A 27 28.809 24.297 14.706 1.00 0.00 C ATOM 422 CG LYS A 27 28.825 23.403 15.950 1.00 0.00 C ATOM 423 CD LYS A 27 29.121 21.940 15.590 1.00 0.00 C ATOM 424 CE LYS A 27 30.289 21.314 16.343 1.00 0.00 C ATOM 425 NZ LYS A 27 30.750 20.103 15.645 1.00 0.00 N ATOM 0 H LYS A 27 26.364 24.691 14.818 1.00 0.00 H new ATOM 0 HA LYS A 27 28.436 26.004 15.913 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.280 23.777 13.908 1.00 0.00 H new ATOM 0 HB3 LYS A 27 29.834 24.443 14.366 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.578 23.766 16.650 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.862 23.466 16.457 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.226 21.347 15.780 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.323 21.879 14.521 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.106 22.031 16.423 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.984 21.064 17.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.653 19.789 16.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.041 19.349 15.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.881 20.313 14.635 1.00 0.00 H new ATOM 439 N ALA A 28 27.977 26.663 12.718 1.00 0.00 N ATOM 440 CA ALA A 28 28.404 27.603 11.700 1.00 0.00 C ATOM 441 C ALA A 28 28.143 29.058 12.114 1.00 0.00 C ATOM 442 O ALA A 28 28.819 30.027 11.765 1.00 0.00 O ATOM 443 CB ALA A 28 27.651 27.300 10.405 1.00 0.00 C ATOM 0 H ALA A 28 27.158 26.096 12.501 1.00 0.00 H new ATOM 0 HA ALA A 28 29.479 27.489 11.560 1.00 0.00 H new ATOM 0 HB1 ALA A 28 27.963 28.000 9.630 1.00 0.00 H new ATOM 0 HB2 ALA A 28 27.873 26.282 10.085 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.579 27.401 10.575 1.00 0.00 H new ATOM 449 N LYS A 29 27.092 29.336 12.877 1.00 0.00 N ATOM 450 CA LYS A 29 26.635 30.681 13.174 1.00 0.00 C ATOM 451 C LYS A 29 27.427 31.194 14.380 1.00 0.00 C ATOM 452 O LYS A 29 27.422 32.404 14.586 1.00 0.00 O ATOM 453 CB LYS A 29 25.139 30.580 13.470 1.00 0.00 C ATOM 454 CG LYS A 29 24.281 30.615 12.199 1.00 0.00 C ATOM 455 CD LYS A 29 22.786 30.597 12.494 1.00 0.00 C ATOM 456 CE LYS A 29 21.875 30.538 11.260 1.00 0.00 C ATOM 457 NZ LYS A 29 20.443 30.612 11.596 1.00 0.00 N ATOM 0 H LYS A 29 26.523 28.612 13.315 1.00 0.00 H new ATOM 0 HA LYS A 29 26.791 31.378 12.351 1.00 0.00 H new ATOM 0 HB2 LYS A 29 24.941 29.655 14.012 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.846 31.401 14.124 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.523 31.511 11.628 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.533 29.760 11.572 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.568 29.738 13.128 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.535 31.489 13.068 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.128 31.359 10.589 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.068 29.613 10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.942 29.812 11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.326 30.572 12.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.048 31.505 11.237 1.00 0.00 H new ATOM 471 N ILE A 30 28.241 30.366 15.035 1.00 0.00 N ATOM 472 CA ILE A 30 29.176 30.822 16.047 1.00 0.00 C ATOM 473 C ILE A 30 30.483 31.222 15.349 1.00 0.00 C ATOM 474 O ILE A 30 31.153 32.153 15.796 1.00 0.00 O ATOM 475 CB ILE A 30 29.352 29.693 17.052 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.093 29.566 17.922 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.543 29.828 18.001 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.968 28.169 18.509 1.00 0.00 C ATOM 0 H ILE A 30 28.266 29.359 14.874 1.00 0.00 H new ATOM 0 HA ILE A 30 28.820 31.698 16.589 1.00 0.00 H new ATOM 0 HB ILE A 30 29.536 28.815 16.433 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.129 30.300 18.727 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.210 29.792 17.324 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.572 28.970 18.673 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.466 29.868 17.423 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.441 30.743 18.585 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.067 28.110 19.120 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.907 27.439 17.702 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.840 27.955 19.127 1.00 0.00 H new ATOM 490 N GLN A 31 30.822 30.522 14.266 1.00 0.00 N ATOM 491 CA GLN A 31 31.958 30.850 13.448 1.00 0.00 C ATOM 492 C GLN A 31 31.739 32.216 12.799 1.00 0.00 C ATOM 493 O GLN A 31 32.659 33.027 12.701 1.00 0.00 O ATOM 494 CB GLN A 31 32.224 29.802 12.355 1.00 0.00 C ATOM 495 CG GLN A 31 33.554 29.976 11.619 1.00 0.00 C ATOM 496 CD GLN A 31 33.855 28.734 10.793 1.00 0.00 C ATOM 497 OE1 GLN A 31 32.886 28.172 10.289 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.106 28.377 10.561 1.00 0.00 N ATOM 0 H GLN A 31 30.302 29.707 13.941 1.00 0.00 H new ATOM 0 HA GLN A 31 32.832 30.868 14.099 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.200 28.810 12.807 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.413 29.840 11.628 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.510 30.852 10.972 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.356 30.150 12.336 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.872 28.881 11.008 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.306 27.597 9.935 1.00 0.00 H new ATOM 507 N ASP A 32 30.501 32.481 12.377 1.00 0.00 N ATOM 508 CA ASP A 32 30.055 33.734 11.798 1.00 0.00 C ATOM 509 C ASP A 32 30.339 34.965 12.655 1.00 0.00 C ATOM 510 O ASP A 32 30.951 35.933 12.207 1.00 0.00 O ATOM 511 CB ASP A 32 28.570 33.652 11.408 1.00 0.00 C ATOM 512 CG ASP A 32 28.055 34.880 10.670 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.745 35.306 9.722 1.00 0.00 O ATOM 514 OD2 ASP A 32 26.957 35.365 11.017 1.00 0.00 O ATOM 0 H ASP A 32 29.753 31.790 12.436 1.00 0.00 H new ATOM 0 HA ASP A 32 30.655 33.875 10.899 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.418 32.773 10.781 1.00 0.00 H new ATOM 0 HB3 ASP A 32 27.975 33.507 12.310 1.00 0.00 H new ATOM 519 N LYS A 33 29.949 34.922 13.926 1.00 0.00 N ATOM 520 CA LYS A 33 30.190 36.061 14.799 1.00 0.00 C ATOM 521 C LYS A 33 31.577 36.134 15.427 1.00 0.00 C ATOM 522 O LYS A 33 32.312 37.119 15.336 1.00 0.00 O ATOM 523 CB LYS A 33 29.035 36.090 15.797 1.00 0.00 C ATOM 524 CG LYS A 33 27.771 36.768 15.272 1.00 0.00 C ATOM 525 CD LYS A 33 27.946 38.283 15.162 1.00 0.00 C ATOM 526 CE LYS A 33 26.709 39.124 14.856 1.00 0.00 C ATOM 527 NZ LYS A 33 26.759 40.558 15.204 1.00 0.00 N ATOM 0 H LYS A 33 29.477 34.131 14.364 1.00 0.00 H new ATOM 0 HA LYS A 33 30.206 36.975 14.205 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.792 35.067 16.085 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.362 36.606 16.700 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.518 36.359 14.294 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.936 36.545 15.936 1.00 0.00 H new ATOM 0 HD2 LYS A 33 28.369 38.640 16.101 1.00 0.00 H new ATOM 0 HD3 LYS A 33 28.684 38.479 14.385 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.503 39.043 13.789 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.862 38.680 15.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.859 41.010 14.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.916 40.662 16.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 27.537 41.014 14.686 1.00 0.00 H new ATOM 541 N GLU A 34 31.982 35.035 16.070 1.00 0.00 N ATOM 542 CA GLU A 34 33.170 34.913 16.890 1.00 0.00 C ATOM 543 C GLU A 34 34.459 34.371 16.282 1.00 0.00 C ATOM 544 O GLU A 34 35.505 34.593 16.899 1.00 0.00 O ATOM 545 CB GLU A 34 32.877 33.983 18.076 1.00 0.00 C ATOM 546 CG GLU A 34 31.948 34.621 19.108 1.00 0.00 C ATOM 547 CD GLU A 34 32.568 35.784 19.876 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.342 35.472 20.804 1.00 0.00 O ATOM 549 OE2 GLU A 34 32.450 36.945 19.440 1.00 0.00 O ATOM 0 H GLU A 34 31.454 34.164 16.024 1.00 0.00 H new ATOM 0 HA GLU A 34 33.368 35.960 17.120 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.426 33.061 17.708 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.815 33.708 18.558 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.049 34.973 18.602 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.635 33.857 19.819 1.00 0.00 H new ATOM 556 N GLY A 35 34.265 33.759 15.128 1.00 0.00 N ATOM 557 CA GLY A 35 35.231 33.277 14.163 1.00 0.00 C ATOM 558 C GLY A 35 35.634 31.806 14.293 1.00 0.00 C ATOM 559 O GLY A 35 36.605 31.415 13.643 1.00 0.00 O ATOM 0 H GLY A 35 33.315 33.567 14.810 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.826 33.435 13.163 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.130 33.888 14.243 1.00 0.00 H new ATOM 563 N ILE A 36 35.058 31.005 15.182 1.00 0.00 N ATOM 564 CA ILE A 36 35.674 29.820 15.722 1.00 0.00 C ATOM 565 C ILE A 36 35.337 28.697 14.742 1.00 0.00 C ATOM 566 O ILE A 36 34.149 28.402 14.621 1.00 0.00 O ATOM 567 CB ILE A 36 35.123 29.661 17.139 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.278 30.801 18.151 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.821 28.479 17.820 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.241 30.582 19.248 1.00 0.00 C ATOM 0 H ILE A 36 34.123 31.176 15.551 1.00 0.00 H new ATOM 0 HA ILE A 36 36.760 29.838 15.818 1.00 0.00 H new ATOM 0 HB ILE A 36 34.057 29.572 16.932 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.284 30.808 18.570 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.127 31.766 17.668 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.432 28.360 18.831 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.634 27.569 17.250 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.894 28.666 17.863 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.322 31.377 19.989 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.242 30.593 18.812 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.417 29.619 19.728 1.00 0.00 H new ATOM 582 N PRO A 37 36.321 28.001 14.186 1.00 0.00 N ATOM 583 CA PRO A 37 36.049 26.781 13.437 1.00 0.00 C ATOM 584 C PRO A 37 35.426 25.708 14.327 1.00 0.00 C ATOM 585 O PRO A 37 35.976 25.522 15.414 1.00 0.00 O ATOM 586 CB PRO A 37 37.349 26.373 12.750 1.00 0.00 C ATOM 587 CG PRO A 37 38.466 27.151 13.449 1.00 0.00 C ATOM 588 CD PRO A 37 37.739 28.259 14.220 1.00 0.00 C ATOM 0 HA PRO A 37 35.296 26.940 12.665 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.512 25.299 12.833 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.317 26.609 11.686 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.036 26.509 14.120 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.171 27.566 12.729 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.091 28.293 15.251 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.956 29.231 13.777 1.00 0.00 H new ATOM 596 N PRO A 38 34.363 24.992 13.981 1.00 0.00 N ATOM 597 CA PRO A 38 33.736 23.900 14.696 1.00 0.00 C ATOM 598 C PRO A 38 34.574 22.816 15.394 1.00 0.00 C ATOM 599 O PRO A 38 34.130 22.345 16.440 1.00 0.00 O ATOM 600 CB PRO A 38 32.617 23.286 13.859 1.00 0.00 C ATOM 601 CG PRO A 38 32.327 24.414 12.873 1.00 0.00 C ATOM 602 CD PRO A 38 33.596 25.252 12.779 1.00 0.00 C ATOM 0 HA PRO A 38 33.370 24.428 15.576 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.934 22.372 13.356 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.745 23.032 14.462 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.055 24.014 11.896 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.488 25.020 13.214 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.169 24.987 11.891 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.354 26.312 12.697 1.00 0.00 H new ATOM 610 N ASP A 39 35.806 22.596 14.949 1.00 0.00 N ATOM 611 CA ASP A 39 36.838 21.849 15.637 1.00 0.00 C ATOM 612 C ASP A 39 37.109 22.295 17.069 1.00 0.00 C ATOM 613 O ASP A 39 37.078 21.493 17.993 1.00 0.00 O ATOM 614 CB ASP A 39 38.077 21.889 14.739 1.00 0.00 C ATOM 615 CG ASP A 39 39.371 21.417 15.383 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.439 20.484 16.203 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.418 22.032 15.082 1.00 0.00 O ATOM 0 H ASP A 39 36.123 22.956 14.049 1.00 0.00 H new ATOM 0 HA ASP A 39 36.501 20.823 15.787 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.885 21.275 13.859 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.218 22.912 14.390 1.00 0.00 H new ATOM 622 N GLN A 40 37.322 23.581 17.335 1.00 0.00 N ATOM 623 CA GLN A 40 37.685 24.209 18.592 1.00 0.00 C ATOM 624 C GLN A 40 36.436 24.467 19.439 1.00 0.00 C ATOM 625 O GLN A 40 36.533 24.537 20.666 1.00 0.00 O ATOM 626 CB GLN A 40 38.351 25.562 18.385 1.00 0.00 C ATOM 627 CG GLN A 40 39.654 25.410 17.604 1.00 0.00 C ATOM 628 CD GLN A 40 40.446 26.666 17.282 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.567 26.488 16.805 1.00 0.00 O ATOM 630 NE2 GLN A 40 39.962 27.871 17.593 1.00 0.00 N ATOM 0 H GLN A 40 37.234 24.277 16.595 1.00 0.00 H new ATOM 0 HA GLN A 40 38.375 23.524 19.085 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.675 26.227 17.848 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.552 26.025 19.351 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.304 24.741 18.168 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.422 24.911 16.663 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.025 27.958 17.986 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.529 28.704 17.437 1.00 0.00 H new ATOM 639 N GLN A 41 35.251 24.460 18.834 1.00 0.00 N ATOM 640 CA GLN A 41 33.958 24.477 19.493 1.00 0.00 C ATOM 641 C GLN A 41 33.623 23.092 20.054 1.00 0.00 C ATOM 642 O GLN A 41 33.080 22.266 19.331 1.00 0.00 O ATOM 643 CB GLN A 41 32.846 24.812 18.496 1.00 0.00 C ATOM 644 CG GLN A 41 33.026 26.121 17.750 1.00 0.00 C ATOM 645 CD GLN A 41 31.774 26.545 17.003 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.679 26.440 17.540 1.00 0.00 O ATOM 647 NE2 GLN A 41 31.818 27.136 15.807 1.00 0.00 N ATOM 0 H GLN A 41 35.168 24.441 17.818 1.00 0.00 H new ATOM 0 HA GLN A 41 34.016 25.224 20.285 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.775 24.003 17.768 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.897 24.844 19.031 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.305 26.902 18.457 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.850 26.022 17.043 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.710 27.244 15.324 1.00 0.00 H new ATOM 0 HE22 GLN A 41 30.960 27.479 15.376 1.00 0.00 H new ATOM 656 N ARG A 42 33.813 22.817 21.342 1.00 0.00 N ATOM 657 CA ARG A 42 33.634 21.499 21.922 1.00 0.00 C ATOM 658 C ARG A 42 32.297 21.485 22.656 1.00 0.00 C ATOM 659 O ARG A 42 32.082 22.266 23.575 1.00 0.00 O ATOM 660 CB ARG A 42 34.822 21.096 22.804 1.00 0.00 C ATOM 661 CG ARG A 42 36.164 21.035 22.093 1.00 0.00 C ATOM 662 CD ARG A 42 37.142 19.929 22.488 1.00 0.00 C ATOM 663 NE ARG A 42 37.893 20.393 23.659 1.00 0.00 N ATOM 664 CZ ARG A 42 38.778 19.763 24.430 1.00 0.00 C ATOM 665 NH1 ARG A 42 39.061 18.490 24.110 1.00 0.00 N ATOM 666 NH2 ARG A 42 39.391 20.527 25.341 1.00 0.00 N ATOM 0 H ARG A 42 34.101 23.522 22.021 1.00 0.00 H new ATOM 0 HA ARG A 42 33.608 20.741 21.139 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.898 21.804 23.629 1.00 0.00 H new ATOM 0 HB3 ARG A 42 34.615 20.119 23.240 1.00 0.00 H new ATOM 0 HG2 ARG A 42 35.970 20.942 21.024 1.00 0.00 H new ATOM 0 HG3 ARG A 42 36.664 21.991 22.244 1.00 0.00 H new ATOM 0 HD2 ARG A 42 36.605 19.009 22.718 1.00 0.00 H new ATOM 0 HD3 ARG A 42 37.819 19.705 21.664 1.00 0.00 H new ATOM 0 HE ARG A 42 37.707 21.359 23.928 1.00 0.00 H new ATOM 0 HH11 ARG A 42 38.605 18.052 23.310 1.00 0.00 H new ATOM 0 HH12 ARG A 42 39.732 17.961 24.667 1.00 0.00 H new ATOM 0 HH21 ARG A 42 39.167 21.520 25.408 1.00 0.00 H new ATOM 0 HH22 ARG A 42 40.082 20.117 25.969 1.00 0.00 H new ATOM 680 N LEU A 43 31.287 20.793 22.118 1.00 0.00 N ATOM 681 CA LEU A 43 29.922 20.646 22.566 1.00 0.00 C ATOM 682 C LEU A 43 29.863 19.723 23.787 1.00 0.00 C ATOM 683 O LEU A 43 29.035 18.811 23.823 1.00 0.00 O ATOM 684 CB LEU A 43 28.995 20.056 21.504 1.00 0.00 C ATOM 685 CG LEU A 43 29.081 20.712 20.124 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.356 19.870 19.083 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.436 22.095 20.104 1.00 0.00 C ATOM 0 H LEU A 43 31.438 20.266 21.258 1.00 0.00 H new ATOM 0 HA LEU A 43 29.581 21.654 22.802 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.220 18.995 21.398 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.968 20.130 21.860 1.00 0.00 H new ATOM 0 HG LEU A 43 30.144 20.796 19.896 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.429 20.354 18.109 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.813 18.882 19.032 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.307 19.771 19.361 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.521 22.522 19.105 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.383 22.009 20.374 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.942 22.743 20.819 1.00 0.00 H new ATOM 699 N ILE A 44 30.554 20.163 24.828 1.00 0.00 N ATOM 700 CA ILE A 44 30.510 19.541 26.141 1.00 0.00 C ATOM 701 C ILE A 44 29.358 20.150 26.933 1.00 0.00 C ATOM 702 O ILE A 44 29.471 21.347 27.204 1.00 0.00 O ATOM 703 CB ILE A 44 31.901 19.735 26.746 1.00 0.00 C ATOM 704 CG1 ILE A 44 33.117 19.414 25.876 1.00 0.00 C ATOM 705 CG2 ILE A 44 31.944 19.031 28.106 1.00 0.00 C ATOM 706 CD1 ILE A 44 33.292 17.909 25.694 1.00 0.00 C ATOM 0 H ILE A 44 31.170 20.975 24.783 1.00 0.00 H new ATOM 0 HA ILE A 44 30.303 18.471 26.128 1.00 0.00 H new ATOM 0 HB ILE A 44 32.018 20.814 26.850 1.00 0.00 H new ATOM 0 HG12 ILE A 44 33.004 19.889 24.901 1.00 0.00 H new ATOM 0 HG13 ILE A 44 34.014 19.833 26.333 1.00 0.00 H new ATOM 0 HG21 ILE A 44 32.930 19.160 28.551 1.00 0.00 H new ATOM 0 HG22 ILE A 44 31.190 19.463 28.763 1.00 0.00 H new ATOM 0 HG23 ILE A 44 31.742 17.968 27.972 1.00 0.00 H new ATOM 0 HD11 ILE A 44 34.165 17.717 25.071 1.00 0.00 H new ATOM 0 HD12 ILE A 44 33.430 17.438 26.667 1.00 0.00 H new ATOM 0 HD13 ILE A 44 32.405 17.495 25.214 1.00 0.00 H new ATOM 718 N PHE A 45 28.243 19.474 27.184 1.00 0.00 N ATOM 719 CA PHE A 45 26.986 19.943 27.714 1.00 0.00 C ATOM 720 C PHE A 45 26.476 19.022 28.825 1.00 0.00 C ATOM 721 O PHE A 45 26.301 17.832 28.551 1.00 0.00 O ATOM 722 CB PHE A 45 25.926 20.413 26.716 1.00 0.00 C ATOM 723 CG PHE A 45 24.808 21.297 27.230 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.101 22.650 27.461 1.00 0.00 C ATOM 725 CD2 PHE A 45 23.526 20.771 27.412 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.116 23.501 27.971 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.581 21.624 27.985 1.00 0.00 C ATOM 728 CZ PHE A 45 22.837 22.984 28.197 1.00 0.00 C ATOM 0 H PHE A 45 28.203 18.472 26.997 1.00 0.00 H new ATOM 0 HA PHE A 45 27.226 20.904 28.170 1.00 0.00 H new ATOM 0 HB2 PHE A 45 26.435 20.950 25.916 1.00 0.00 H new ATOM 0 HB3 PHE A 45 25.473 19.528 26.268 1.00 0.00 H new ATOM 0 HD1 PHE A 45 26.087 23.034 27.245 1.00 0.00 H new ATOM 0 HD2 PHE A 45 23.280 19.759 27.125 1.00 0.00 H new ATOM 0 HE1 PHE A 45 24.338 24.536 28.186 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.621 21.222 28.274 1.00 0.00 H new ATOM 0 HZ PHE A 45 22.045 23.635 28.536 1.00 0.00 H new ATOM 738 N ALA A 46 26.318 19.543 30.036 1.00 0.00 N ATOM 739 CA ALA A 46 25.866 18.904 31.255 1.00 0.00 C ATOM 740 C ALA A 46 26.648 17.672 31.702 1.00 0.00 C ATOM 741 O ALA A 46 26.129 16.574 31.895 1.00 0.00 O ATOM 742 CB ALA A 46 24.381 18.525 31.146 1.00 0.00 C ATOM 0 H ALA A 46 26.527 20.528 30.199 1.00 0.00 H new ATOM 0 HA ALA A 46 26.041 19.661 32.020 1.00 0.00 H new ATOM 0 HB1 ALA A 46 24.059 18.046 32.071 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.788 19.424 30.977 1.00 0.00 H new ATOM 0 HB3 ALA A 46 24.242 17.836 30.313 1.00 0.00 H new ATOM 748 N GLY A 47 27.971 17.758 31.633 1.00 0.00 N ATOM 749 CA GLY A 47 28.933 16.727 31.976 1.00 0.00 C ATOM 750 C GLY A 47 29.397 15.868 30.805 1.00 0.00 C ATOM 751 O GLY A 47 30.519 15.352 30.782 1.00 0.00 O ATOM 0 H GLY A 47 28.428 18.612 31.313 1.00 0.00 H new ATOM 0 HA2 GLY A 47 29.805 17.200 32.429 1.00 0.00 H new ATOM 0 HA3 GLY A 47 28.493 16.077 32.733 1.00 0.00 H new ATOM 755 N LYS A 48 28.501 15.737 29.831 1.00 0.00 N ATOM 756 CA LYS A 48 28.646 14.831 28.715 1.00 0.00 C ATOM 757 C LYS A 48 29.318 15.602 27.573 1.00 0.00 C ATOM 758 O LYS A 48 29.149 16.813 27.420 1.00 0.00 O ATOM 759 CB LYS A 48 27.239 14.553 28.204 1.00 0.00 C ATOM 760 CG LYS A 48 26.312 13.844 29.188 1.00 0.00 C ATOM 761 CD LYS A 48 24.818 14.021 28.920 1.00 0.00 C ATOM 762 CE LYS A 48 24.022 13.699 30.183 1.00 0.00 C ATOM 763 NZ LYS A 48 22.593 13.617 29.827 1.00 0.00 N ATOM 0 H LYS A 48 27.635 16.275 29.803 1.00 0.00 H new ATOM 0 HA LYS A 48 29.199 13.938 29.006 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.781 15.500 27.918 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.312 13.948 27.300 1.00 0.00 H new ATOM 0 HG2 LYS A 48 26.543 12.779 29.176 1.00 0.00 H new ATOM 0 HG3 LYS A 48 26.530 14.206 30.193 1.00 0.00 H new ATOM 0 HD2 LYS A 48 24.615 15.044 28.603 1.00 0.00 H new ATOM 0 HD3 LYS A 48 24.506 13.367 28.106 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.360 12.756 30.614 1.00 0.00 H new ATOM 0 HE3 LYS A 48 24.181 14.469 30.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.035 13.398 30.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.281 14.527 29.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 22.454 12.868 29.119 1.00 0.00 H new ATOM 777 N GLN A 49 29.826 14.899 26.570 1.00 0.00 N ATOM 778 CA GLN A 49 30.004 15.280 25.183 1.00 0.00 C ATOM 779 C GLN A 49 28.610 15.050 24.586 1.00 0.00 C ATOM 780 O GLN A 49 28.174 13.902 24.545 1.00 0.00 O ATOM 781 CB GLN A 49 31.036 14.402 24.473 1.00 0.00 C ATOM 782 CG GLN A 49 31.195 14.661 22.982 1.00 0.00 C ATOM 783 CD GLN A 49 31.690 16.051 22.601 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.889 16.284 22.740 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.789 16.841 22.022 1.00 0.00 N ATOM 0 H GLN A 49 30.157 13.948 26.730 1.00 0.00 H new ATOM 0 HA GLN A 49 30.373 16.300 25.076 1.00 0.00 H new ATOM 0 HB2 GLN A 49 32.003 14.545 24.955 1.00 0.00 H new ATOM 0 HB3 GLN A 49 30.760 13.357 24.616 1.00 0.00 H new ATOM 0 HG2 GLN A 49 31.889 13.925 22.576 1.00 0.00 H new ATOM 0 HG3 GLN A 49 30.233 14.493 22.498 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.815 16.545 21.962 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.073 17.743 21.639 1.00 0.00 H new ATOM 794 N LEU A 50 27.970 16.107 24.090 1.00 0.00 N ATOM 795 CA LEU A 50 26.681 16.042 23.444 1.00 0.00 C ATOM 796 C LEU A 50 27.010 15.795 21.970 1.00 0.00 C ATOM 797 O LEU A 50 28.031 16.342 21.566 1.00 0.00 O ATOM 798 CB LEU A 50 26.023 17.404 23.716 1.00 0.00 C ATOM 799 CG LEU A 50 24.691 17.616 22.995 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.642 18.277 23.893 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.062 18.486 21.789 1.00 0.00 C ATOM 0 H LEU A 50 28.352 17.052 24.132 1.00 0.00 H new ATOM 0 HA LEU A 50 25.996 15.266 23.785 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.862 17.509 24.789 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.713 18.193 23.419 1.00 0.00 H new ATOM 0 HG LEU A 50 24.224 16.677 22.699 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.715 18.406 23.335 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.458 17.646 24.763 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.006 19.250 24.222 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.167 18.696 21.203 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.496 19.423 22.136 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.787 17.958 21.169 1.00 0.00 H new ATOM 813 N GLU A 51 26.312 15.035 21.136 1.00 0.00 N ATOM 814 CA GLU A 51 26.905 14.596 19.892 1.00 0.00 C ATOM 815 C GLU A 51 26.513 15.505 18.730 1.00 0.00 C ATOM 816 O GLU A 51 25.512 16.209 18.844 1.00 0.00 O ATOM 817 CB GLU A 51 26.181 13.289 19.593 1.00 0.00 C ATOM 818 CG GLU A 51 26.869 12.198 20.411 1.00 0.00 C ATOM 819 CD GLU A 51 26.135 11.034 21.068 1.00 0.00 C ATOM 820 OE1 GLU A 51 24.905 11.169 21.234 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.786 10.031 21.436 1.00 0.00 O ATOM 0 H GLU A 51 25.356 14.718 21.298 1.00 0.00 H new ATOM 0 HA GLU A 51 27.990 14.557 19.985 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.127 13.363 19.859 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.226 13.059 18.529 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.619 11.754 19.756 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.406 12.709 21.210 1.00 0.00 H new ATOM 828 N ASP A 52 27.232 15.388 17.620 1.00 0.00 N ATOM 829 CA ASP A 52 26.974 15.918 16.298 1.00 0.00 C ATOM 830 C ASP A 52 25.828 15.150 15.631 1.00 0.00 C ATOM 831 O ASP A 52 25.803 13.927 15.719 1.00 0.00 O ATOM 832 CB ASP A 52 28.201 15.812 15.398 1.00 0.00 C ATOM 833 CG ASP A 52 29.256 16.861 15.734 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.057 18.069 15.510 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.346 16.409 16.153 1.00 0.00 O ATOM 0 H ASP A 52 28.105 14.860 17.633 1.00 0.00 H new ATOM 0 HA ASP A 52 26.711 16.968 16.424 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.636 14.817 15.496 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.897 15.926 14.357 1.00 0.00 H new ATOM 840 N GLY A 53 24.957 15.739 14.817 1.00 0.00 N ATOM 841 CA GLY A 53 24.180 14.988 13.837 1.00 0.00 C ATOM 842 C GLY A 53 22.670 15.029 14.028 1.00 0.00 C ATOM 843 O GLY A 53 21.928 14.313 13.360 1.00 0.00 O ATOM 0 H GLY A 53 24.771 16.742 14.818 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.414 15.371 12.843 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.504 13.948 13.862 1.00 0.00 H new ATOM 847 N ARG A 54 22.235 15.854 14.984 1.00 0.00 N ATOM 848 CA ARG A 54 20.857 16.121 15.321 1.00 0.00 C ATOM 849 C ARG A 54 20.565 17.618 15.206 1.00 0.00 C ATOM 850 O ARG A 54 21.453 18.452 15.019 1.00 0.00 O ATOM 851 CB ARG A 54 20.721 15.553 16.740 1.00 0.00 C ATOM 852 CG ARG A 54 20.830 14.048 16.976 1.00 0.00 C ATOM 853 CD ARG A 54 20.865 13.746 18.481 1.00 0.00 C ATOM 854 NE ARG A 54 20.997 12.303 18.713 1.00 0.00 N ATOM 855 CZ ARG A 54 21.870 11.595 19.428 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.967 12.194 19.933 1.00 0.00 N ATOM 857 NH2 ARG A 54 21.680 10.274 19.550 1.00 0.00 N ATOM 0 H ARG A 54 22.883 16.379 15.571 1.00 0.00 H new ATOM 0 HA ARG A 54 20.127 15.663 14.654 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.482 16.033 17.355 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.752 15.872 17.125 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.984 13.539 16.516 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.732 13.663 16.500 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.699 14.273 18.944 1.00 0.00 H new ATOM 0 HD3 ARG A 54 19.954 14.114 18.953 1.00 0.00 H new ATOM 0 HE ARG A 54 20.291 11.739 18.240 1.00 0.00 H new ATOM 0 HH11 ARG A 54 23.127 13.188 19.767 1.00 0.00 H new ATOM 0 HH12 ARG A 54 23.637 11.654 20.481 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.879 9.830 19.100 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.336 9.712 20.093 1.00 0.00 H new ATOM 871 N THR A 55 19.301 18.011 15.286 1.00 0.00 N ATOM 872 CA THR A 55 18.710 19.340 15.234 1.00 0.00 C ATOM 873 C THR A 55 18.401 19.829 16.654 1.00 0.00 C ATOM 874 O THR A 55 18.506 19.105 17.643 1.00 0.00 O ATOM 875 CB THR A 55 17.426 19.261 14.414 1.00 0.00 C ATOM 876 OG1 THR A 55 16.301 18.718 15.060 1.00 0.00 O ATOM 877 CG2 THR A 55 17.649 18.654 13.022 1.00 0.00 C ATOM 0 H THR A 55 18.570 17.310 15.405 1.00 0.00 H new ATOM 0 HA THR A 55 19.403 20.043 14.772 1.00 0.00 H new ATOM 0 HB THR A 55 17.157 20.309 14.285 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.388 17.743 15.104 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.702 18.622 12.483 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.361 19.265 12.468 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.042 17.643 13.125 1.00 0.00 H new ATOM 885 N LEU A 56 18.146 21.131 16.770 1.00 0.00 N ATOM 886 CA LEU A 56 17.641 21.857 17.921 1.00 0.00 C ATOM 887 C LEU A 56 16.534 21.126 18.665 1.00 0.00 C ATOM 888 O LEU A 56 16.647 21.081 19.893 1.00 0.00 O ATOM 889 CB LEU A 56 17.446 23.325 17.539 1.00 0.00 C ATOM 890 CG LEU A 56 18.774 24.075 17.435 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.455 25.327 16.621 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.427 24.499 18.754 1.00 0.00 C ATOM 0 H LEU A 56 18.305 21.759 15.982 1.00 0.00 H new ATOM 0 HA LEU A 56 18.377 21.887 18.724 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.921 23.384 16.585 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.813 23.811 18.282 1.00 0.00 H new ATOM 0 HG LEU A 56 19.503 23.397 16.992 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.360 25.923 16.500 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.078 25.037 15.640 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.699 25.916 17.141 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.361 25.021 18.546 1.00 0.00 H new ATOM 0 HD22 LEU A 56 18.753 25.162 19.297 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.632 23.616 19.359 1.00 0.00 H new ATOM 904 N SER A 57 15.510 20.549 18.039 1.00 0.00 N ATOM 905 CA SER A 57 14.414 19.887 18.707 1.00 0.00 C ATOM 906 C SER A 57 14.741 18.431 19.057 1.00 0.00 C ATOM 907 O SER A 57 14.079 17.836 19.898 1.00 0.00 O ATOM 908 CB SER A 57 13.205 19.913 17.764 1.00 0.00 C ATOM 909 OG SER A 57 12.926 21.223 17.324 1.00 0.00 O ATOM 0 H SER A 57 15.427 20.534 17.023 1.00 0.00 H new ATOM 0 HA SER A 57 14.212 20.410 19.642 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.398 19.272 16.904 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.333 19.506 18.276 1.00 0.00 H new ATOM 0 HG SER A 57 13.603 21.500 16.671 1.00 0.00 H new ATOM 915 N ASP A 58 15.710 17.816 18.371 1.00 0.00 N ATOM 916 CA ASP A 58 16.136 16.488 18.767 1.00 0.00 C ATOM 917 C ASP A 58 16.863 16.458 20.109 1.00 0.00 C ATOM 918 O ASP A 58 16.875 15.375 20.691 1.00 0.00 O ATOM 919 CB ASP A 58 17.162 16.116 17.696 1.00 0.00 C ATOM 920 CG ASP A 58 16.531 15.608 16.412 1.00 0.00 C ATOM 921 OD1 ASP A 58 15.634 14.738 16.457 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.033 16.115 15.392 1.00 0.00 O ATOM 0 H ASP A 58 16.196 18.209 17.565 1.00 0.00 H new ATOM 0 HA ASP A 58 15.274 15.828 18.862 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.775 16.989 17.471 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.830 15.351 18.092 1.00 0.00 H new ATOM 927 N TYR A 59 17.356 17.609 20.564 1.00 0.00 N ATOM 928 CA TYR A 59 17.789 17.890 21.912 1.00 0.00 C ATOM 929 C TYR A 59 16.836 18.828 22.665 1.00 0.00 C ATOM 930 O TYR A 59 17.219 19.243 23.764 1.00 0.00 O ATOM 931 CB TYR A 59 19.227 18.388 21.906 1.00 0.00 C ATOM 932 CG TYR A 59 20.286 17.330 21.710 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.573 16.416 22.725 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.984 17.304 20.487 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.698 15.591 22.572 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.088 16.458 20.303 1.00 0.00 C ATOM 937 CZ TYR A 59 22.389 15.578 21.351 1.00 0.00 C ATOM 938 OH TYR A 59 23.422 14.689 21.227 1.00 0.00 O ATOM 0 H TYR A 59 17.467 18.417 19.952 1.00 0.00 H new ATOM 0 HA TYR A 59 17.759 16.956 22.473 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.331 19.131 21.115 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.419 18.898 22.850 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.948 16.346 23.603 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.665 17.945 19.679 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.030 14.969 23.390 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.677 16.484 19.398 1.00 0.00 H new ATOM 0 HH TYR A 59 23.370 14.024 21.945 1.00 0.00 H new ATOM 948 N ASN A 60 15.649 19.071 22.115 1.00 0.00 N ATOM 949 CA ASN A 60 14.502 19.707 22.733 1.00 0.00 C ATOM 950 C ASN A 60 14.634 21.173 23.154 1.00 0.00 C ATOM 951 O ASN A 60 13.886 21.704 23.975 1.00 0.00 O ATOM 952 CB ASN A 60 13.863 18.877 23.849 1.00 0.00 C ATOM 953 CG ASN A 60 14.572 18.794 25.205 1.00 0.00 C ATOM 954 OD1 ASN A 60 14.617 19.735 25.988 1.00 0.00 O ATOM 955 ND2 ASN A 60 15.122 17.624 25.514 1.00 0.00 N ATOM 0 H ASN A 60 15.455 18.805 21.150 1.00 0.00 H new ATOM 0 HA ASN A 60 13.824 19.741 21.881 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.862 19.273 24.023 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.743 17.860 23.476 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.589 17.501 26.413 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.077 16.849 24.853 1.00 0.00 H new ATOM 962 N ILE A 61 15.495 21.893 22.448 1.00 0.00 N ATOM 963 CA ILE A 61 15.762 23.292 22.702 1.00 0.00 C ATOM 964 C ILE A 61 14.641 24.174 22.118 1.00 0.00 C ATOM 965 O ILE A 61 14.200 23.952 21.003 1.00 0.00 O ATOM 966 CB ILE A 61 17.144 23.705 22.196 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.213 22.829 22.855 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.460 25.196 22.277 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.581 22.714 22.199 1.00 0.00 C ATOM 0 H ILE A 61 16.034 21.510 21.671 1.00 0.00 H new ATOM 0 HA ILE A 61 15.771 23.444 23.781 1.00 0.00 H new ATOM 0 HB ILE A 61 17.143 23.527 21.121 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.364 23.201 23.868 1.00 0.00 H new ATOM 0 HG13 ILE A 61 17.805 21.822 22.943 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.464 25.377 21.893 1.00 0.00 H new ATOM 0 HG22 ILE A 61 16.738 25.754 21.681 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.405 25.524 23.315 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.216 22.057 22.794 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.470 22.301 21.196 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.039 23.701 22.136 1.00 0.00 H new ATOM 981 N GLN A 62 14.096 25.115 22.876 1.00 0.00 N ATOM 982 CA GLN A 62 13.021 26.049 22.636 1.00 0.00 C ATOM 983 C GLN A 62 13.619 27.443 22.452 1.00 0.00 C ATOM 984 O GLN A 62 14.778 27.786 22.669 1.00 0.00 O ATOM 985 CB GLN A 62 11.892 25.964 23.665 1.00 0.00 C ATOM 986 CG GLN A 62 11.335 24.587 24.015 1.00 0.00 C ATOM 987 CD GLN A 62 9.983 24.607 24.698 1.00 0.00 C ATOM 988 OE1 GLN A 62 9.141 25.364 24.211 1.00 0.00 O ATOM 989 NE2 GLN A 62 9.862 24.032 25.892 1.00 0.00 N ATOM 0 H GLN A 62 14.462 25.254 23.818 1.00 0.00 H new ATOM 0 HA GLN A 62 12.509 25.779 21.712 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.247 26.423 24.587 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.065 26.575 23.303 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.257 23.999 23.101 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.047 24.076 24.663 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.597 23.414 26.237 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.035 24.209 26.462 1.00 0.00 H new ATOM 998 N LYS A 63 12.741 28.274 21.893 1.00 0.00 N ATOM 999 CA LYS A 63 12.926 29.711 21.748 1.00 0.00 C ATOM 1000 C LYS A 63 13.259 30.410 23.061 1.00 0.00 C ATOM 1001 O LYS A 63 12.778 30.029 24.123 1.00 0.00 O ATOM 1002 CB LYS A 63 11.746 30.436 21.091 1.00 0.00 C ATOM 1003 CG LYS A 63 10.340 30.293 21.656 1.00 0.00 C ATOM 1004 CD LYS A 63 9.308 31.188 20.963 1.00 0.00 C ATOM 1005 CE LYS A 63 8.026 31.536 21.719 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.372 32.748 21.184 1.00 0.00 N ATOM 0 H LYS A 63 11.850 27.950 21.516 1.00 0.00 H new ATOM 0 HA LYS A 63 13.782 29.781 21.076 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.984 31.500 21.086 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.709 30.113 20.051 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.025 29.253 21.567 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.359 30.530 22.720 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.803 32.123 20.699 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.022 30.704 20.029 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.333 30.696 21.661 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.258 31.686 22.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.507 32.945 21.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.022 33.556 21.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.126 32.597 20.185 1.00 0.00 H new ATOM 1020 N GLU A 64 14.100 31.441 23.081 1.00 0.00 N ATOM 1021 CA GLU A 64 14.636 32.117 24.238 1.00 0.00 C ATOM 1022 C GLU A 64 15.420 31.272 25.250 1.00 0.00 C ATOM 1023 O GLU A 64 15.714 31.726 26.353 1.00 0.00 O ATOM 1024 CB GLU A 64 13.686 33.169 24.823 1.00 0.00 C ATOM 1025 CG GLU A 64 13.232 34.281 23.883 1.00 0.00 C ATOM 1026 CD GLU A 64 12.150 35.175 24.490 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.228 35.667 25.636 1.00 0.00 O ATOM 1028 OE2 GLU A 64 11.267 35.572 23.703 1.00 0.00 O ATOM 0 H GLU A 64 14.446 31.851 22.213 1.00 0.00 H new ATOM 0 HA GLU A 64 15.464 32.692 23.824 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.800 32.656 25.197 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.175 33.628 25.682 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.092 34.894 23.613 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.854 33.838 22.962 1.00 0.00 H new ATOM 1035 N SER A 65 15.732 30.034 24.870 1.00 0.00 N ATOM 1036 CA SER A 65 16.543 29.158 25.689 1.00 0.00 C ATOM 1037 C SER A 65 18.029 29.544 25.720 1.00 0.00 C ATOM 1038 O SER A 65 18.612 29.861 24.687 1.00 0.00 O ATOM 1039 CB SER A 65 16.415 27.711 25.221 1.00 0.00 C ATOM 1040 OG SER A 65 15.029 27.505 25.352 1.00 0.00 O ATOM 0 H SER A 65 15.428 29.619 23.989 1.00 0.00 H new ATOM 0 HA SER A 65 16.158 29.267 26.703 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.756 27.579 24.194 1.00 0.00 H new ATOM 0 HB3 SER A 65 16.994 27.025 25.840 1.00 0.00 H new ATOM 0 HG SER A 65 14.843 26.544 25.390 1.00 0.00 H new ATOM 1046 N THR A 66 18.634 29.270 26.869 1.00 0.00 N ATOM 1047 CA THR A 66 20.011 29.488 27.257 1.00 0.00 C ATOM 1048 C THR A 66 20.720 28.136 27.257 1.00 0.00 C ATOM 1049 O THR A 66 20.239 27.074 27.677 1.00 0.00 O ATOM 1050 CB THR A 66 20.026 30.138 28.640 1.00 0.00 C ATOM 1051 OG1 THR A 66 19.114 31.201 28.801 1.00 0.00 O ATOM 1052 CG2 THR A 66 21.399 30.654 29.091 1.00 0.00 C ATOM 0 H THR A 66 18.108 28.843 27.631 1.00 0.00 H new ATOM 0 HA THR A 66 20.530 30.152 26.565 1.00 0.00 H new ATOM 0 HB THR A 66 19.726 29.299 29.267 1.00 0.00 H new ATOM 0 HG1 THR A 66 19.186 31.559 29.711 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.313 31.099 30.083 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.106 29.825 29.125 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.755 31.405 28.386 1.00 0.00 H new ATOM 1060 N LEU A 67 21.950 28.178 26.762 1.00 0.00 N ATOM 1061 CA LEU A 67 22.809 27.009 26.793 1.00 0.00 C ATOM 1062 C LEU A 67 24.292 27.404 26.768 1.00 0.00 C ATOM 1063 O LEU A 67 24.500 28.608 26.627 1.00 0.00 O ATOM 1064 CB LEU A 67 22.411 25.940 25.781 1.00 0.00 C ATOM 1065 CG LEU A 67 22.319 26.282 24.291 1.00 0.00 C ATOM 1066 CD1 LEU A 67 23.707 26.444 23.658 1.00 0.00 C ATOM 1067 CD2 LEU A 67 21.473 25.284 23.510 1.00 0.00 C ATOM 0 H LEU A 67 22.370 29.005 26.337 1.00 0.00 H new ATOM 0 HA LEU A 67 22.654 26.514 27.752 1.00 0.00 H new ATOM 0 HB2 LEU A 67 23.123 25.121 25.881 1.00 0.00 H new ATOM 0 HB3 LEU A 67 21.437 25.555 26.084 1.00 0.00 H new ATOM 0 HG LEU A 67 21.809 27.244 24.232 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.599 26.686 22.601 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.245 27.248 24.161 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.265 25.513 23.762 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.443 25.576 22.460 1.00 0.00 H new ATOM 0 HD22 LEU A 67 21.910 24.289 23.598 1.00 0.00 H new ATOM 0 HD23 LEU A 67 20.460 25.272 23.913 1.00 0.00 H new ATOM 1079 N HIS A 68 25.192 26.431 26.793 1.00 0.00 N ATOM 1080 CA HIS A 68 26.608 26.656 26.994 1.00 0.00 C ATOM 1081 C HIS A 68 27.448 26.043 25.877 1.00 0.00 C ATOM 1082 O HIS A 68 27.223 24.894 25.497 1.00 0.00 O ATOM 1083 CB HIS A 68 26.863 26.064 28.378 1.00 0.00 C ATOM 1084 CG HIS A 68 26.277 26.835 29.533 1.00 0.00 C ATOM 1085 ND1 HIS A 68 24.939 26.772 29.915 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.785 27.801 30.366 1.00 0.00 C ATOM 1087 CE1 HIS A 68 24.731 27.480 31.029 1.00 0.00 C ATOM 1088 NE2 HIS A 68 25.793 28.279 31.188 1.00 0.00 N ATOM 0 H HIS A 68 24.950 25.448 26.672 1.00 0.00 H new ATOM 0 HA HIS A 68 26.898 27.706 26.954 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.462 25.051 28.400 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.940 25.984 28.527 1.00 0.00 H new ATOM 0 HD2 HIS A 68 27.812 28.136 30.374 1.00 0.00 H new ATOM 0 HE1 HIS A 68 23.870 27.419 31.678 1.00 0.00 H new ATOM 0 HE2 HIS A 68 25.854 29.090 31.803 1.00 0.00 H new ATOM 1096 N LEU A 69 28.375 26.820 25.320 1.00 0.00 N ATOM 1097 CA LEU A 69 29.434 26.391 24.432 1.00 0.00 C ATOM 1098 C LEU A 69 30.717 26.343 25.268 1.00 0.00 C ATOM 1099 O LEU A 69 30.996 27.229 26.075 1.00 0.00 O ATOM 1100 CB LEU A 69 29.533 27.323 23.232 1.00 0.00 C ATOM 1101 CG LEU A 69 30.553 26.832 22.206 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.120 25.549 21.498 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.010 27.979 21.307 1.00 0.00 C ATOM 0 H LEU A 69 28.401 27.825 25.492 1.00 0.00 H new ATOM 0 HA LEU A 69 29.242 25.403 24.014 1.00 0.00 H new ATOM 0 HB2 LEU A 69 28.555 27.408 22.758 1.00 0.00 H new ATOM 0 HB3 LEU A 69 29.811 28.321 23.571 1.00 0.00 H new ATOM 0 HG LEU A 69 31.453 26.511 22.731 1.00 0.00 H new ATOM 0 HD11 LEU A 69 30.886 25.252 20.782 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.983 24.756 22.233 1.00 0.00 H new ATOM 0 HD13 LEU A 69 29.181 25.722 20.973 1.00 0.00 H new ATOM 0 HD21 LEU A 69 31.736 27.607 20.584 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.151 28.392 20.779 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.470 28.757 21.916 1.00 0.00 H new ATOM 1115 N VAL A 70 31.602 25.411 24.942 1.00 0.00 N ATOM 1116 CA VAL A 70 32.965 25.369 25.460 1.00 0.00 C ATOM 1117 C VAL A 70 33.947 25.425 24.281 1.00 0.00 C ATOM 1118 O VAL A 70 33.673 25.149 23.114 1.00 0.00 O ATOM 1119 CB VAL A 70 33.097 24.085 26.284 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.525 23.591 26.524 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.175 24.022 27.502 1.00 0.00 C ATOM 0 H VAL A 70 31.390 24.648 24.298 1.00 0.00 H new ATOM 0 HA VAL A 70 33.194 26.219 26.103 1.00 0.00 H new ATOM 0 HB VAL A 70 32.703 23.320 25.614 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.499 22.677 27.117 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.006 23.389 25.567 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.089 24.355 27.059 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.332 23.081 28.029 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.398 24.854 28.170 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.137 24.086 27.176 1.00 0.00 H new ATOM 1131 N LEU A 71 35.072 26.001 24.688 1.00 0.00 N ATOM 1132 CA LEU A 71 36.183 26.090 23.760 1.00 0.00 C ATOM 1133 C LEU A 71 37.331 25.191 24.204 1.00 0.00 C ATOM 1134 O LEU A 71 37.643 25.101 25.388 1.00 0.00 O ATOM 1135 CB LEU A 71 36.605 27.564 23.719 1.00 0.00 C ATOM 1136 CG LEU A 71 35.874 28.418 22.684 1.00 0.00 C ATOM 1137 CD1 LEU A 71 34.444 28.869 22.975 1.00 0.00 C ATOM 1138 CD2 LEU A 71 36.666 29.720 22.557 1.00 0.00 C ATOM 0 H LEU A 71 35.233 26.397 25.614 1.00 0.00 H new ATOM 0 HA LEU A 71 35.895 25.749 22.766 1.00 0.00 H new ATOM 0 HB2 LEU A 71 36.445 27.999 24.705 1.00 0.00 H new ATOM 0 HB3 LEU A 71 37.675 27.614 23.518 1.00 0.00 H new ATOM 0 HG LEU A 71 35.807 27.766 21.813 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.074 29.465 22.141 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.807 27.995 23.108 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.430 29.470 23.884 1.00 0.00 H new ATOM 0 HD21 LEU A 71 36.184 30.369 21.826 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.698 30.222 23.524 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.682 29.498 22.230 1.00 0.00 H new