USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 520 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 Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.848 X(o=-0.85,f=-0.85) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.23) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0577 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0043 USER MOD Single : A 29 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.14) USER MOD Single : A 32 SER OG : rot -65:sc= 0.629 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.133) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= -0.0228 (180deg=-0.204) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0686 K(o=-0.069,f=-2.6!) USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= -0.0147 (180deg=-0.185) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 6 2.426 -1.950 -2.517 1.00 60.21 N ATOM 2 CA TYR A 6 2.519 -2.283 -3.934 1.00 31.44 C ATOM 3 C TYR A 6 1.487 -3.341 -4.313 1.00 61.22 C ATOM 4 O TYR A 6 0.714 -3.799 -3.472 1.00 64.20 O ATOM 5 CB TYR A 6 3.925 -2.782 -4.271 1.00 30.45 C ATOM 6 CG TYR A 6 5.027 -1.955 -3.647 1.00 74.32 C ATOM 7 CD1 TYR A 6 5.230 -0.634 -4.027 1.00 61.35 C ATOM 8 CD2 TYR A 6 5.864 -2.495 -2.679 1.00 44.40 C ATOM 9 CE1 TYR A 6 6.236 0.125 -3.461 1.00 53.13 C ATOM 10 CE2 TYR A 6 6.872 -1.742 -2.106 1.00 75.24 C ATOM 11 CZ TYR A 6 7.053 -0.433 -2.501 1.00 24.10 C ATOM 12 OH TYR A 6 8.056 0.319 -1.934 1.00 44.30 O ATOM 0 HA TYR A 6 2.314 -1.379 -4.508 1.00 31.44 H new ATOM 0 HB2 TYR A 6 4.024 -3.815 -3.938 1.00 30.45 H new ATOM 0 HB3 TYR A 6 4.051 -2.783 -5.354 1.00 30.45 H new ATOM 0 HD1 TYR A 6 4.591 -0.193 -4.777 1.00 61.35 H new ATOM 0 HD2 TYR A 6 5.725 -3.520 -2.369 1.00 44.40 H new ATOM 0 HE1 TYR A 6 6.382 1.150 -3.769 1.00 53.13 H new ATOM 0 HE2 TYR A 6 7.514 -2.176 -1.354 1.00 75.24 H new ATOM 0 HH TYR A 6 8.539 -0.223 -1.275 1.00 44.30 H new ATOM 22 N GLN A 7 1.483 -3.724 -5.586 1.00 33.11 N ATOM 23 CA GLN A 7 0.546 -4.728 -6.078 1.00 4.21 C ATOM 24 C GLN A 7 0.453 -5.904 -5.112 1.00 74.42 C ATOM 25 O GLN A 7 1.104 -5.916 -4.067 1.00 72.14 O ATOM 26 CB GLN A 7 0.975 -5.221 -7.461 1.00 51.11 C ATOM 27 CG GLN A 7 0.524 -4.316 -8.596 1.00 51.22 C ATOM 28 CD GLN A 7 0.871 -2.860 -8.355 1.00 14.13 C ATOM 29 OE1 GLN A 7 0.046 -2.086 -7.866 1.00 65.40 O ATOM 30 NE2 GLN A 7 2.096 -2.478 -8.696 1.00 74.24 N ATOM 0 H GLN A 7 2.117 -3.355 -6.295 1.00 33.11 H new ATOM 0 HA GLN A 7 -0.438 -4.265 -6.154 1.00 4.21 H new ATOM 0 HB2 GLN A 7 2.061 -5.307 -7.486 1.00 51.11 H new ATOM 0 HB3 GLN A 7 0.572 -6.221 -7.622 1.00 51.11 H new ATOM 0 HG2 GLN A 7 0.987 -4.647 -9.525 1.00 51.22 H new ATOM 0 HG3 GLN A 7 -0.554 -4.412 -8.726 1.00 51.22 H new ATOM 0 HE21 GLN A 7 2.747 -3.152 -9.098 1.00 74.24 H new ATOM 0 HE22 GLN A 7 2.386 -1.510 -8.556 1.00 74.24 H new ATOM 39 N ASP A 8 -0.361 -6.892 -5.468 1.00 55.11 N ATOM 40 CA ASP A 8 -0.540 -8.074 -4.633 1.00 72.22 C ATOM 41 C ASP A 8 0.771 -8.466 -3.959 1.00 32.41 C ATOM 42 O ASP A 8 0.776 -8.951 -2.828 1.00 5.24 O ATOM 43 CB ASP A 8 -1.067 -9.241 -5.470 1.00 64.02 C ATOM 44 CG ASP A 8 -0.337 -9.381 -6.792 1.00 13.11 C ATOM 45 OD1 ASP A 8 -0.561 -8.537 -7.685 1.00 31.14 O ATOM 46 OD2 ASP A 8 0.457 -10.335 -6.934 1.00 14.31 O ATOM 0 H ASP A 8 -0.907 -6.898 -6.329 1.00 55.11 H new ATOM 0 HA ASP A 8 -1.269 -7.835 -3.858 1.00 72.22 H new ATOM 0 HB2 ASP A 8 -0.966 -10.166 -4.903 1.00 64.02 H new ATOM 0 HB3 ASP A 8 -2.131 -9.098 -5.659 1.00 64.02 H new ATOM 51 N GLN A 9 1.879 -8.254 -4.662 1.00 74.50 N ATOM 52 CA GLN A 9 3.195 -8.588 -4.131 1.00 41.14 C ATOM 53 C GLN A 9 3.362 -8.053 -2.713 1.00 34.43 C ATOM 54 O GLN A 9 3.859 -8.753 -1.831 1.00 0.41 O ATOM 55 CB GLN A 9 4.291 -8.020 -5.035 1.00 22.22 C ATOM 56 CG GLN A 9 4.447 -8.770 -6.348 1.00 34.52 C ATOM 57 CD GLN A 9 4.983 -7.893 -7.461 1.00 40.15 C ATOM 58 OE1 GLN A 9 6.194 -7.798 -7.664 1.00 71.23 O ATOM 59 NE2 GLN A 9 4.082 -7.245 -8.191 1.00 63.10 N ATOM 0 H GLN A 9 1.891 -7.853 -5.600 1.00 74.50 H new ATOM 0 HA GLN A 9 3.283 -9.674 -4.102 1.00 41.14 H new ATOM 0 HB2 GLN A 9 4.069 -6.974 -5.248 1.00 22.22 H new ATOM 0 HB3 GLN A 9 5.240 -8.042 -4.499 1.00 22.22 H new ATOM 0 HG2 GLN A 9 5.119 -9.616 -6.201 1.00 34.52 H new ATOM 0 HG3 GLN A 9 3.481 -9.178 -6.646 1.00 34.52 H new ATOM 0 HE21 GLN A 9 3.088 -7.353 -7.988 1.00 63.10 H new ATOM 0 HE22 GLN A 9 4.384 -6.640 -8.955 1.00 63.10 H new ATOM 68 N GLU A 10 2.942 -6.810 -2.501 1.00 42.31 N ATOM 69 CA GLU A 10 3.047 -6.182 -1.189 1.00 54.11 C ATOM 70 C GLU A 10 1.934 -6.667 -0.264 1.00 25.23 C ATOM 71 O GLU A 10 2.174 -6.970 0.905 1.00 41.32 O ATOM 72 CB GLU A 10 2.986 -4.659 -1.322 1.00 4.32 C ATOM 73 CG GLU A 10 3.240 -3.924 -0.016 1.00 42.44 C ATOM 74 CD GLU A 10 2.188 -2.872 0.275 1.00 53.42 C ATOM 75 OE1 GLU A 10 0.999 -3.129 -0.007 1.00 75.11 O ATOM 76 OE2 GLU A 10 2.553 -1.791 0.784 1.00 74.41 O ATOM 0 H GLU A 10 2.526 -6.218 -3.220 1.00 42.31 H new ATOM 0 HA GLU A 10 4.006 -6.464 -0.755 1.00 54.11 H new ATOM 0 HB2 GLU A 10 3.721 -4.337 -2.059 1.00 4.32 H new ATOM 0 HB3 GLU A 10 2.006 -4.375 -1.705 1.00 4.32 H new ATOM 0 HG2 GLU A 10 3.265 -4.643 0.803 1.00 42.44 H new ATOM 0 HG3 GLU A 10 4.221 -3.451 -0.055 1.00 42.44 H new ATOM 83 N GLN A 11 0.719 -6.738 -0.796 1.00 14.31 N ATOM 84 CA GLN A 11 -0.431 -7.185 -0.018 1.00 4.34 C ATOM 85 C GLN A 11 -0.204 -8.591 0.529 1.00 55.43 C ATOM 86 O GLN A 11 -0.707 -8.940 1.597 1.00 61.11 O ATOM 87 CB GLN A 11 -1.697 -7.156 -0.875 1.00 43.45 C ATOM 88 CG GLN A 11 -2.129 -8.527 -1.368 1.00 73.12 C ATOM 89 CD GLN A 11 -3.418 -8.481 -2.165 1.00 33.12 C ATOM 90 OE1 GLN A 11 -4.304 -9.317 -1.983 1.00 61.25 O ATOM 91 NE2 GLN A 11 -3.531 -7.501 -3.054 1.00 3.14 N ATOM 0 H GLN A 11 0.505 -6.492 -1.762 1.00 14.31 H new ATOM 0 HA GLN A 11 -0.556 -6.503 0.823 1.00 4.34 H new ATOM 0 HB2 GLN A 11 -2.508 -6.715 -0.295 1.00 43.45 H new ATOM 0 HB3 GLN A 11 -1.529 -6.506 -1.734 1.00 43.45 H new ATOM 0 HG2 GLN A 11 -1.339 -8.952 -1.987 1.00 73.12 H new ATOM 0 HG3 GLN A 11 -2.258 -9.192 -0.514 1.00 73.12 H new ATOM 0 HE21 GLN A 11 -2.772 -6.830 -3.172 1.00 3.14 H new ATOM 0 HE22 GLN A 11 -4.377 -7.420 -3.619 1.00 3.14 H new ATOM 100 N ARG A 12 0.554 -9.393 -0.211 1.00 41.32 N ATOM 101 CA ARG A 12 0.845 -10.761 0.199 1.00 62.25 C ATOM 102 C ARG A 12 1.862 -10.784 1.336 1.00 43.52 C ATOM 103 O ARG A 12 1.605 -11.345 2.401 1.00 73.00 O ATOM 104 CB ARG A 12 1.373 -11.570 -0.988 1.00 31.11 C ATOM 105 CG ARG A 12 1.315 -13.074 -0.774 1.00 3.33 C ATOM 106 CD ARG A 12 -0.033 -13.644 -1.187 1.00 25.03 C ATOM 107 NE ARG A 12 -0.150 -13.776 -2.636 1.00 61.24 N ATOM 108 CZ ARG A 12 0.395 -14.769 -3.330 1.00 75.53 C ATOM 109 NH1 ARG A 12 1.090 -15.713 -2.710 1.00 13.31 N ATOM 110 NH2 ARG A 12 0.243 -14.821 -4.648 1.00 5.14 N ATOM 0 H ARG A 12 0.978 -9.119 -1.097 1.00 41.32 H new ATOM 0 HA ARG A 12 -0.082 -11.212 0.555 1.00 62.25 H new ATOM 0 HB2 ARG A 12 0.795 -11.315 -1.876 1.00 31.11 H new ATOM 0 HB3 ARG A 12 2.405 -11.279 -1.185 1.00 31.11 H new ATOM 0 HG2 ARG A 12 2.106 -13.555 -1.349 1.00 3.33 H new ATOM 0 HG3 ARG A 12 1.501 -13.301 0.276 1.00 3.33 H new ATOM 0 HD2 ARG A 12 -0.172 -14.620 -0.722 1.00 25.03 H new ATOM 0 HD3 ARG A 12 -0.829 -12.998 -0.816 1.00 25.03 H new ATOM 0 HE ARG A 12 -0.679 -13.067 -3.143 1.00 61.24 H new ATOM 0 HH11 ARG A 12 1.207 -15.678 -1.697 1.00 13.31 H new ATOM 0 HH12 ARG A 12 1.507 -16.474 -3.246 1.00 13.31 H new ATOM 0 HH21 ARG A 12 -0.293 -14.098 -5.129 1.00 5.14 H new ATOM 0 HH22 ARG A 12 0.662 -15.584 -5.180 1.00 5.14 H new ATOM 124 N ILE A 13 3.017 -10.170 1.102 1.00 65.15 N ATOM 125 CA ILE A 13 4.072 -10.119 2.106 1.00 23.42 C ATOM 126 C ILE A 13 3.594 -9.412 3.370 1.00 64.31 C ATOM 127 O ILE A 13 3.972 -9.782 4.482 1.00 24.33 O ATOM 128 CB ILE A 13 5.325 -9.400 1.571 1.00 32.15 C ATOM 129 CG1 ILE A 13 4.969 -7.986 1.109 1.00 51.14 C ATOM 130 CG2 ILE A 13 5.947 -10.195 0.433 1.00 33.21 C ATOM 131 CD1 ILE A 13 6.132 -7.241 0.492 1.00 24.12 C ATOM 0 H ILE A 13 3.246 -9.701 0.226 1.00 65.15 H new ATOM 0 HA ILE A 13 4.330 -11.151 2.345 1.00 23.42 H new ATOM 0 HB ILE A 13 6.055 -9.326 2.377 1.00 32.15 H new ATOM 0 HG12 ILE A 13 4.158 -8.043 0.383 1.00 51.14 H new ATOM 0 HG13 ILE A 13 4.595 -7.418 1.961 1.00 51.14 H new ATOM 0 HG21 ILE A 13 6.831 -9.674 0.066 1.00 33.21 H new ATOM 0 HG22 ILE A 13 6.232 -11.184 0.793 1.00 33.21 H new ATOM 0 HG23 ILE A 13 5.224 -10.298 -0.376 1.00 33.21 H new ATOM 0 HD11 ILE A 13 5.807 -6.246 0.188 1.00 24.12 H new ATOM 0 HD12 ILE A 13 6.936 -7.152 1.223 1.00 24.12 H new ATOM 0 HD13 ILE A 13 6.493 -7.787 -0.380 1.00 24.12 H new ATOM 143 N LEU A 14 2.760 -8.394 3.192 1.00 70.23 N ATOM 144 CA LEU A 14 2.228 -7.635 4.318 1.00 35.21 C ATOM 145 C LEU A 14 1.306 -8.501 5.171 1.00 24.24 C ATOM 146 O LEU A 14 1.331 -8.429 6.400 1.00 15.03 O ATOM 147 CB LEU A 14 1.470 -6.405 3.817 1.00 54.23 C ATOM 148 CG LEU A 14 2.301 -5.136 3.625 1.00 23.11 C ATOM 149 CD1 LEU A 14 1.443 -4.015 3.060 1.00 33.12 C ATOM 150 CD2 LEU A 14 2.938 -4.712 4.941 1.00 55.22 C ATOM 0 H LEU A 14 2.437 -8.075 2.278 1.00 70.23 H new ATOM 0 HA LEU A 14 3.067 -7.311 4.935 1.00 35.21 H new ATOM 0 HB2 LEU A 14 1.001 -6.655 2.866 1.00 54.23 H new ATOM 0 HB3 LEU A 14 0.667 -6.186 4.521 1.00 54.23 H new ATOM 0 HG LEU A 14 3.096 -5.350 2.911 1.00 23.11 H new ATOM 0 HD11 LEU A 14 2.052 -3.120 2.931 1.00 33.12 H new ATOM 0 HD12 LEU A 14 1.036 -4.319 2.096 1.00 33.12 H new ATOM 0 HD13 LEU A 14 0.625 -3.801 3.748 1.00 33.12 H new ATOM 0 HD21 LEU A 14 3.526 -3.807 4.786 1.00 55.22 H new ATOM 0 HD22 LEU A 14 2.158 -4.516 5.676 1.00 55.22 H new ATOM 0 HD23 LEU A 14 3.587 -5.509 5.304 1.00 55.22 H new ATOM 162 N LYS A 15 0.496 -9.322 4.512 1.00 51.11 N ATOM 163 CA LYS A 15 -0.431 -10.205 5.209 1.00 74.54 C ATOM 164 C LYS A 15 0.315 -11.343 5.898 1.00 70.22 C ATOM 165 O LYS A 15 -0.186 -11.940 6.851 1.00 1.34 O ATOM 166 CB LYS A 15 -1.459 -10.776 4.228 1.00 0.42 C ATOM 167 CG LYS A 15 -2.656 -9.867 4.005 1.00 64.23 C ATOM 168 CD LYS A 15 -3.648 -10.481 3.031 1.00 23.23 C ATOM 169 CE LYS A 15 -4.439 -11.608 3.678 1.00 2.32 C ATOM 170 NZ LYS A 15 -5.781 -11.772 3.054 1.00 21.42 N ATOM 0 H LYS A 15 0.463 -9.394 3.495 1.00 51.11 H new ATOM 0 HA LYS A 15 -0.948 -9.620 5.969 1.00 74.54 H new ATOM 0 HB2 LYS A 15 -0.971 -10.962 3.271 1.00 0.42 H new ATOM 0 HB3 LYS A 15 -1.809 -11.739 4.600 1.00 0.42 H new ATOM 0 HG2 LYS A 15 -3.151 -9.675 4.957 1.00 64.23 H new ATOM 0 HG3 LYS A 15 -2.317 -8.904 3.622 1.00 64.23 H new ATOM 0 HD2 LYS A 15 -4.333 -9.712 2.675 1.00 23.23 H new ATOM 0 HD3 LYS A 15 -3.116 -10.862 2.160 1.00 23.23 H new ATOM 0 HE2 LYS A 15 -3.881 -12.540 3.590 1.00 2.32 H new ATOM 0 HE3 LYS A 15 -4.556 -11.405 4.743 1.00 2.32 H new ATOM 0 HZ1 LYS A 15 -6.289 -12.549 3.522 1.00 21.42 H new ATOM 0 HZ2 LYS A 15 -6.323 -10.891 3.160 1.00 21.42 H new ATOM 0 HZ3 LYS A 15 -5.670 -11.991 2.043 1.00 21.42 H new ATOM 184 N PHE A 16 1.516 -11.638 5.410 1.00 35.23 N ATOM 185 CA PHE A 16 2.331 -12.704 5.980 1.00 22.30 C ATOM 186 C PHE A 16 2.852 -12.313 7.360 1.00 53.41 C ATOM 187 O PHE A 16 2.584 -12.991 8.353 1.00 65.24 O ATOM 188 CB PHE A 16 3.505 -13.028 5.053 1.00 34.41 C ATOM 189 CG PHE A 16 4.147 -14.355 5.340 1.00 32.45 C ATOM 190 CD1 PHE A 16 3.656 -15.517 4.766 1.00 54.44 C ATOM 191 CD2 PHE A 16 5.242 -14.442 6.185 1.00 52.31 C ATOM 192 CE1 PHE A 16 4.244 -16.739 5.029 1.00 3.12 C ATOM 193 CE2 PHE A 16 5.835 -15.661 6.452 1.00 70.32 C ATOM 194 CZ PHE A 16 5.336 -16.811 5.872 1.00 30.32 C ATOM 0 H PHE A 16 1.946 -11.154 4.622 1.00 35.23 H new ATOM 0 HA PHE A 16 1.704 -13.589 6.085 1.00 22.30 H new ATOM 0 HB2 PHE A 16 3.156 -13.018 4.021 1.00 34.41 H new ATOM 0 HB3 PHE A 16 4.256 -12.243 5.143 1.00 34.41 H new ATOM 0 HD1 PHE A 16 2.803 -15.466 4.105 1.00 54.44 H new ATOM 0 HD2 PHE A 16 5.637 -13.546 6.640 1.00 52.31 H new ATOM 0 HE1 PHE A 16 3.850 -17.637 4.576 1.00 3.12 H new ATOM 0 HE2 PHE A 16 6.687 -15.715 7.113 1.00 70.32 H new ATOM 0 HZ PHE A 16 5.799 -17.765 6.077 1.00 30.32 H new ATOM 204 N LEU A 17 3.597 -11.214 7.415 1.00 74.15 N ATOM 205 CA LEU A 17 4.156 -10.731 8.672 1.00 0.31 C ATOM 206 C LEU A 17 3.052 -10.447 9.686 1.00 61.21 C ATOM 207 O LEU A 17 3.197 -10.739 10.872 1.00 33.44 O ATOM 208 CB LEU A 17 4.982 -9.465 8.433 1.00 73.51 C ATOM 209 CG LEU A 17 4.198 -8.222 8.012 1.00 13.13 C ATOM 210 CD1 LEU A 17 4.091 -7.241 9.170 1.00 62.31 C ATOM 211 CD2 LEU A 17 4.853 -7.560 6.809 1.00 71.01 C ATOM 0 H LEU A 17 3.828 -10.641 6.603 1.00 74.15 H new ATOM 0 HA LEU A 17 4.803 -11.509 9.076 1.00 0.31 H new ATOM 0 HB2 LEU A 17 5.528 -9.233 9.348 1.00 73.51 H new ATOM 0 HB3 LEU A 17 5.724 -9.679 7.664 1.00 73.51 H new ATOM 0 HG LEU A 17 3.191 -8.530 7.729 1.00 13.13 H new ATOM 0 HD11 LEU A 17 3.530 -6.362 8.852 1.00 62.31 H new ATOM 0 HD12 LEU A 17 3.576 -7.718 10.004 1.00 62.31 H new ATOM 0 HD13 LEU A 17 5.090 -6.939 9.485 1.00 62.31 H new ATOM 0 HD21 LEU A 17 4.281 -6.677 6.523 1.00 71.01 H new ATOM 0 HD22 LEU A 17 5.871 -7.266 7.065 1.00 71.01 H new ATOM 0 HD23 LEU A 17 4.877 -8.262 5.976 1.00 71.01 H new ATOM 223 N GLU A 18 1.949 -9.878 9.209 1.00 64.32 N ATOM 224 CA GLU A 18 0.821 -9.557 10.074 1.00 34.13 C ATOM 225 C GLU A 18 0.076 -10.823 10.490 1.00 4.30 C ATOM 226 O GLU A 18 -0.679 -10.819 11.461 1.00 33.41 O ATOM 227 CB GLU A 18 -0.138 -8.598 9.365 1.00 61.42 C ATOM 228 CG GLU A 18 -1.229 -9.302 8.575 1.00 21.03 C ATOM 229 CD GLU A 18 -2.079 -8.339 7.769 1.00 32.25 C ATOM 230 OE1 GLU A 18 -1.532 -7.324 7.289 1.00 20.44 O ATOM 231 OE2 GLU A 18 -3.291 -8.600 7.619 1.00 11.02 O ATOM 0 H GLU A 18 1.813 -9.630 8.229 1.00 64.32 H new ATOM 0 HA GLU A 18 1.210 -9.074 10.970 1.00 34.13 H new ATOM 0 HB2 GLU A 18 -0.601 -7.946 10.106 1.00 61.42 H new ATOM 0 HB3 GLU A 18 0.433 -7.959 8.691 1.00 61.42 H new ATOM 0 HG2 GLU A 18 -0.774 -10.029 7.903 1.00 21.03 H new ATOM 0 HG3 GLU A 18 -1.868 -9.858 9.261 1.00 21.03 H new ATOM 238 N GLU A 19 0.296 -11.903 9.747 1.00 43.33 N ATOM 239 CA GLU A 19 -0.355 -13.175 10.037 1.00 4.24 C ATOM 240 C GLU A 19 0.014 -13.668 11.434 1.00 52.13 C ATOM 241 O GLU A 19 -0.718 -14.451 12.041 1.00 25.20 O ATOM 242 CB GLU A 19 0.037 -14.224 8.994 1.00 1.53 C ATOM 243 CG GLU A 19 -1.118 -15.108 8.557 1.00 33.21 C ATOM 244 CD GLU A 19 -0.931 -15.664 7.159 1.00 50.55 C ATOM 245 OE1 GLU A 19 -1.088 -14.894 6.188 1.00 53.01 O ATOM 246 OE2 GLU A 19 -0.627 -16.869 7.035 1.00 3.43 O ATOM 0 H GLU A 19 0.920 -11.922 8.940 1.00 43.33 H new ATOM 0 HA GLU A 19 -1.433 -13.020 9.998 1.00 4.24 H new ATOM 0 HB2 GLU A 19 0.448 -13.719 8.120 1.00 1.53 H new ATOM 0 HB3 GLU A 19 0.830 -14.851 9.402 1.00 1.53 H new ATOM 0 HG2 GLU A 19 -1.225 -15.933 9.261 1.00 33.21 H new ATOM 0 HG3 GLU A 19 -2.044 -14.534 8.595 1.00 33.21 H new ATOM 253 N LEU A 20 1.153 -13.205 11.937 1.00 53.42 N ATOM 254 CA LEU A 20 1.620 -13.598 13.262 1.00 60.15 C ATOM 255 C LEU A 20 0.894 -12.814 14.350 1.00 30.21 C ATOM 256 O LEU A 20 0.584 -13.350 15.413 1.00 31.12 O ATOM 257 CB LEU A 20 3.129 -13.377 13.378 1.00 1.31 C ATOM 258 CG LEU A 20 3.578 -11.940 13.649 1.00 32.33 C ATOM 259 CD1 LEU A 20 3.638 -11.673 15.145 1.00 35.23 C ATOM 260 CD2 LEU A 20 4.930 -11.673 13.004 1.00 54.14 C ATOM 0 H LEU A 20 1.770 -12.557 11.447 1.00 53.42 H new ATOM 0 HA LEU A 20 1.403 -14.657 13.398 1.00 60.15 H new ATOM 0 HB2 LEU A 20 3.509 -14.012 14.178 1.00 1.31 H new ATOM 0 HB3 LEU A 20 3.598 -13.715 12.454 1.00 1.31 H new ATOM 0 HG LEU A 20 2.847 -11.262 13.208 1.00 32.33 H new ATOM 0 HD11 LEU A 20 3.959 -10.646 15.319 1.00 35.23 H new ATOM 0 HD12 LEU A 20 2.650 -11.823 15.581 1.00 35.23 H new ATOM 0 HD13 LEU A 20 4.347 -12.358 15.609 1.00 35.23 H new ATOM 0 HD21 LEU A 20 5.234 -10.646 13.207 1.00 54.14 H new ATOM 0 HD22 LEU A 20 5.671 -12.359 13.415 1.00 54.14 H new ATOM 0 HD23 LEU A 20 4.855 -11.823 11.927 1.00 54.14 H new ATOM 272 N GLY A 21 0.624 -11.541 14.076 1.00 72.52 N ATOM 273 CA GLY A 21 -0.066 -10.705 15.041 1.00 42.05 C ATOM 274 C GLY A 21 0.138 -9.226 14.776 1.00 20.42 C ATOM 275 O GLY A 21 0.962 -8.582 15.424 1.00 42.10 O ATOM 0 H GLY A 21 0.871 -11.074 13.203 1.00 72.52 H new ATOM 0 HA2 GLY A 21 -1.132 -10.932 15.017 1.00 42.05 H new ATOM 0 HA3 GLY A 21 0.289 -10.944 16.044 1.00 42.05 H new ATOM 279 N GLU A 22 -0.614 -8.688 13.821 1.00 64.32 N ATOM 280 CA GLU A 22 -0.509 -7.277 13.471 1.00 3.43 C ATOM 281 C GLU A 22 -0.582 -6.400 14.719 1.00 74.45 C ATOM 282 O GLU A 22 -1.471 -6.564 15.554 1.00 40.35 O ATOM 283 CB GLU A 22 -1.620 -6.886 12.494 1.00 25.31 C ATOM 284 CG GLU A 22 -2.980 -6.725 13.152 1.00 62.13 C ATOM 285 CD GLU A 22 -3.455 -7.996 13.829 1.00 64.00 C ATOM 286 OE1 GLU A 22 -3.337 -9.076 13.214 1.00 73.32 O ATOM 287 OE2 GLU A 22 -3.943 -7.910 14.975 1.00 13.31 O ATOM 0 H GLU A 22 -1.302 -9.208 13.276 1.00 64.32 H new ATOM 0 HA GLU A 22 0.457 -7.119 12.992 1.00 3.43 H new ATOM 0 HB2 GLU A 22 -1.349 -5.950 12.005 1.00 25.31 H new ATOM 0 HB3 GLU A 22 -1.690 -7.645 11.714 1.00 25.31 H new ATOM 0 HG2 GLU A 22 -2.931 -5.923 13.888 1.00 62.13 H new ATOM 0 HG3 GLU A 22 -3.710 -6.424 12.400 1.00 62.13 H new ATOM 294 N GLY A 23 0.360 -5.470 14.837 1.00 13.44 N ATOM 295 CA GLY A 23 0.385 -4.582 15.985 1.00 14.31 C ATOM 296 C GLY A 23 1.228 -5.126 17.121 1.00 41.11 C ATOM 297 O GLY A 23 1.114 -4.675 18.261 1.00 73.11 O ATOM 0 H GLY A 23 1.106 -5.315 14.159 1.00 13.44 H new ATOM 0 HA2 GLY A 23 0.775 -3.611 15.681 1.00 14.31 H new ATOM 0 HA3 GLY A 23 -0.634 -4.421 16.338 1.00 14.31 H new ATOM 301 N LYS A 24 2.077 -6.100 16.811 1.00 3.31 N ATOM 302 CA LYS A 24 2.944 -6.708 17.814 1.00 51.41 C ATOM 303 C LYS A 24 4.412 -6.443 17.496 1.00 22.33 C ATOM 304 O LYS A 24 4.732 -5.713 16.559 1.00 64.43 O ATOM 305 CB LYS A 24 2.691 -8.215 17.890 1.00 11.01 C ATOM 306 CG LYS A 24 1.352 -8.576 18.509 1.00 74.44 C ATOM 307 CD LYS A 24 1.037 -10.053 18.335 1.00 5.10 C ATOM 308 CE LYS A 24 1.445 -10.857 19.560 1.00 32.21 C ATOM 309 NZ LYS A 24 0.296 -11.087 20.479 1.00 22.45 N ATOM 0 H LYS A 24 2.183 -6.486 15.873 1.00 3.31 H new ATOM 0 HA LYS A 24 2.713 -6.258 18.780 1.00 51.41 H new ATOM 0 HB2 LYS A 24 2.742 -8.635 16.885 1.00 11.01 H new ATOM 0 HB3 LYS A 24 3.488 -8.680 18.471 1.00 11.01 H new ATOM 0 HG2 LYS A 24 1.362 -8.328 19.570 1.00 74.44 H new ATOM 0 HG3 LYS A 24 0.565 -7.979 18.049 1.00 74.44 H new ATOM 0 HD2 LYS A 24 -0.030 -10.180 18.154 1.00 5.10 H new ATOM 0 HD3 LYS A 24 1.557 -10.436 17.457 1.00 5.10 H new ATOM 0 HE2 LYS A 24 1.856 -11.816 19.245 1.00 32.21 H new ATOM 0 HE3 LYS A 24 2.237 -10.331 20.093 1.00 32.21 H new ATOM 0 HZ1 LYS A 24 0.614 -11.638 21.301 1.00 22.45 H new ATOM 0 HZ2 LYS A 24 -0.080 -10.172 20.800 1.00 22.45 H new ATOM 0 HZ3 LYS A 24 -0.449 -11.612 19.978 1.00 22.45 H new ATOM 323 N ALA A 25 5.300 -7.043 18.283 1.00 42.24 N ATOM 324 CA ALA A 25 6.734 -6.875 18.082 1.00 2.34 C ATOM 325 C ALA A 25 7.355 -8.128 17.475 1.00 35.54 C ATOM 326 O ALA A 25 6.947 -9.249 17.786 1.00 44.42 O ATOM 327 CB ALA A 25 7.414 -6.532 19.400 1.00 43.44 C ATOM 0 H ALA A 25 5.051 -7.649 19.065 1.00 42.24 H new ATOM 0 HA ALA A 25 6.884 -6.053 17.382 1.00 2.34 H new ATOM 0 HB1 ALA A 25 8.485 -6.409 19.236 1.00 43.44 H new ATOM 0 HB2 ALA A 25 6.998 -5.604 19.793 1.00 43.44 H new ATOM 0 HB3 ALA A 25 7.247 -7.337 20.116 1.00 43.44 H new ATOM 333 N THR A 26 8.342 -7.934 16.607 1.00 2.30 N ATOM 334 CA THR A 26 9.017 -9.048 15.955 1.00 65.51 C ATOM 335 C THR A 26 10.467 -8.702 15.634 1.00 53.42 C ATOM 336 O THR A 26 10.921 -7.586 15.891 1.00 63.31 O ATOM 337 CB THR A 26 8.299 -9.457 14.655 1.00 23.50 C ATOM 338 OG1 THR A 26 8.818 -10.705 14.180 1.00 3.31 O ATOM 339 CG2 THR A 26 8.470 -8.391 13.584 1.00 53.21 C ATOM 0 H THR A 26 8.692 -7.014 16.339 1.00 2.30 H new ATOM 0 HA THR A 26 8.992 -9.884 16.654 1.00 65.51 H new ATOM 0 HB THR A 26 7.236 -9.565 14.872 1.00 23.50 H new ATOM 0 HG1 THR A 26 8.355 -10.959 13.354 1.00 3.31 H new ATOM 0 HG21 THR A 26 7.954 -8.702 12.675 1.00 53.21 H new ATOM 0 HG22 THR A 26 8.048 -7.450 13.937 1.00 53.21 H new ATOM 0 HG23 THR A 26 9.530 -8.256 13.371 1.00 53.21 H new ATOM 347 N THR A 27 11.190 -9.664 15.069 1.00 13.11 N ATOM 348 CA THR A 27 12.588 -9.460 14.713 1.00 22.31 C ATOM 349 C THR A 27 12.763 -9.367 13.202 1.00 53.24 C ATOM 350 O THR A 27 11.940 -9.874 12.440 1.00 61.02 O ATOM 351 CB THR A 27 13.476 -10.598 15.252 1.00 44.34 C ATOM 352 OG1 THR A 27 12.705 -11.795 15.395 1.00 30.54 O ATOM 353 CG2 THR A 27 14.088 -10.218 16.592 1.00 71.41 C ATOM 0 H THR A 27 10.830 -10.592 14.848 1.00 13.11 H new ATOM 0 HA THR A 27 12.897 -8.520 15.170 1.00 22.31 H new ATOM 0 HB THR A 27 14.282 -10.770 14.539 1.00 44.34 H new ATOM 0 HG1 THR A 27 13.277 -12.514 15.736 1.00 30.54 H new ATOM 0 HG21 THR A 27 14.711 -11.037 16.953 1.00 71.41 H new ATOM 0 HG22 THR A 27 14.699 -9.323 16.472 1.00 71.41 H new ATOM 0 HG23 THR A 27 13.294 -10.022 17.312 1.00 71.41 H new ATOM 361 N ALA A 28 13.840 -8.716 12.774 1.00 14.31 N ATOM 362 CA ALA A 28 14.123 -8.559 11.353 1.00 1.50 C ATOM 363 C ALA A 28 14.660 -9.854 10.754 1.00 43.22 C ATOM 364 O ALA A 28 14.200 -10.301 9.703 1.00 45.15 O ATOM 365 CB ALA A 28 15.113 -7.424 11.135 1.00 53.43 C ATOM 0 H ALA A 28 14.531 -8.289 13.391 1.00 14.31 H new ATOM 0 HA ALA A 28 13.189 -8.315 10.846 1.00 1.50 H new ATOM 0 HB1 ALA A 28 15.316 -7.318 10.069 1.00 53.43 H new ATOM 0 HB2 ALA A 28 14.692 -6.495 11.519 1.00 53.43 H new ATOM 0 HB3 ALA A 28 16.042 -7.645 11.661 1.00 53.43 H new ATOM 371 N HIS A 29 15.637 -10.452 11.429 1.00 73.44 N ATOM 372 CA HIS A 29 16.237 -11.697 10.962 1.00 33.31 C ATOM 373 C HIS A 29 15.162 -12.735 10.650 1.00 4.14 C ATOM 374 O HIS A 29 15.337 -13.579 9.771 1.00 3.13 O ATOM 375 CB HIS A 29 17.204 -12.247 12.011 1.00 13.43 C ATOM 376 CG HIS A 29 18.212 -11.244 12.480 1.00 44.53 C ATOM 377 ND1 HIS A 29 19.163 -10.688 11.649 1.00 11.04 N ATOM 378 CD2 HIS A 29 18.414 -10.695 13.700 1.00 5.15 C ATOM 379 CE1 HIS A 29 19.907 -9.842 12.340 1.00 61.44 C ATOM 380 NE2 HIS A 29 19.473 -9.828 13.587 1.00 2.20 N ATOM 0 H HIS A 29 16.030 -10.095 12.300 1.00 73.44 H new ATOM 0 HA HIS A 29 16.789 -11.484 10.046 1.00 33.31 H new ATOM 0 HB2 HIS A 29 16.633 -12.604 12.868 1.00 13.43 H new ATOM 0 HB3 HIS A 29 17.727 -13.108 11.595 1.00 13.43 H new ATOM 0 HD2 HIS A 29 17.848 -10.900 14.596 1.00 5.15 H new ATOM 0 HE1 HIS A 29 20.730 -9.261 11.951 1.00 61.44 H new ATOM 0 HE2 HIS A 29 19.861 -9.265 14.344 1.00 2.20 H new ATOM 388 N ASP A 30 14.052 -12.666 11.377 1.00 63.33 N ATOM 389 CA ASP A 30 12.949 -13.599 11.178 1.00 65.43 C ATOM 390 C ASP A 30 12.100 -13.189 9.979 1.00 63.34 C ATOM 391 O ASP A 30 11.755 -14.019 9.136 1.00 13.22 O ATOM 392 CB ASP A 30 12.080 -13.670 12.434 1.00 51.01 C ATOM 393 CG ASP A 30 11.648 -15.086 12.760 1.00 13.01 C ATOM 394 OD1 ASP A 30 11.036 -15.736 11.887 1.00 71.15 O ATOM 395 OD2 ASP A 30 11.922 -15.544 13.889 1.00 71.43 O ATOM 0 H ASP A 30 13.892 -11.974 12.109 1.00 63.33 H new ATOM 0 HA ASP A 30 13.371 -14.585 10.982 1.00 65.43 H new ATOM 0 HB2 ASP A 30 12.633 -13.258 13.278 1.00 51.01 H new ATOM 0 HB3 ASP A 30 11.197 -13.046 12.297 1.00 51.01 H new ATOM 400 N LEU A 31 11.766 -11.905 9.908 1.00 24.52 N ATOM 401 CA LEU A 31 10.956 -11.385 8.812 1.00 3.45 C ATOM 402 C LEU A 31 11.658 -11.585 7.473 1.00 5.42 C ATOM 403 O LEU A 31 11.028 -11.939 6.477 1.00 11.22 O ATOM 404 CB LEU A 31 10.663 -9.899 9.031 1.00 74.35 C ATOM 405 CG LEU A 31 9.394 -9.575 9.820 1.00 52.33 C ATOM 406 CD1 LEU A 31 9.267 -8.074 10.034 1.00 65.41 C ATOM 407 CD2 LEU A 31 8.166 -10.118 9.103 1.00 23.31 C ATOM 0 H LEU A 31 12.044 -11.205 10.596 1.00 24.52 H new ATOM 0 HA LEU A 31 10.016 -11.936 8.793 1.00 3.45 H new ATOM 0 HB2 LEU A 31 11.513 -9.454 9.549 1.00 74.35 H new ATOM 0 HB3 LEU A 31 10.595 -9.415 8.057 1.00 74.35 H new ATOM 0 HG LEU A 31 9.463 -10.057 10.795 1.00 52.33 H new ATOM 0 HD11 LEU A 31 8.358 -7.862 10.597 1.00 65.41 H new ATOM 0 HD12 LEU A 31 10.131 -7.711 10.590 1.00 65.41 H new ATOM 0 HD13 LEU A 31 9.220 -7.571 9.068 1.00 65.41 H new ATOM 0 HD21 LEU A 31 7.272 -9.878 9.679 1.00 23.31 H new ATOM 0 HD22 LEU A 31 8.092 -9.666 8.114 1.00 23.31 H new ATOM 0 HD23 LEU A 31 8.253 -11.200 9.002 1.00 23.31 H new ATOM 419 N SER A 32 12.968 -11.357 7.458 1.00 70.13 N ATOM 420 CA SER A 32 13.756 -11.511 6.241 1.00 42.35 C ATOM 421 C SER A 32 13.470 -12.853 5.574 1.00 53.34 C ATOM 422 O SER A 32 13.334 -12.936 4.354 1.00 54.13 O ATOM 423 CB SER A 32 15.249 -11.393 6.556 1.00 74.41 C ATOM 424 OG SER A 32 15.730 -12.566 7.189 1.00 71.32 O ATOM 0 H SER A 32 13.505 -11.065 8.274 1.00 70.13 H new ATOM 0 HA SER A 32 13.473 -10.715 5.552 1.00 42.35 H new ATOM 0 HB2 SER A 32 15.806 -11.218 5.635 1.00 74.41 H new ATOM 0 HB3 SER A 32 15.421 -10.531 7.201 1.00 74.41 H new ATOM 0 HG SER A 32 15.304 -12.663 8.066 1.00 71.32 H new ATOM 430 N GLY A 33 13.380 -13.902 6.385 1.00 75.43 N ATOM 431 CA GLY A 33 13.110 -15.227 5.857 1.00 61.04 C ATOM 432 C GLY A 33 11.626 -15.508 5.725 1.00 4.10 C ATOM 433 O GLY A 33 11.223 -16.452 5.046 1.00 61.33 O ATOM 0 H GLY A 33 13.489 -13.858 7.398 1.00 75.43 H new ATOM 0 HA2 GLY A 33 13.584 -15.329 4.881 1.00 61.04 H new ATOM 0 HA3 GLY A 33 13.561 -15.974 6.510 1.00 61.04 H new ATOM 437 N LYS A 34 10.810 -14.687 6.378 1.00 63.32 N ATOM 438 CA LYS A 34 9.362 -14.851 6.332 1.00 62.30 C ATOM 439 C LYS A 34 8.817 -14.486 4.955 1.00 14.22 C ATOM 440 O LYS A 34 7.868 -15.102 4.468 1.00 31.44 O ATOM 441 CB LYS A 34 8.696 -13.984 7.403 1.00 60.51 C ATOM 442 CG LYS A 34 8.918 -14.489 8.818 1.00 35.03 C ATOM 443 CD LYS A 34 7.633 -15.028 9.425 1.00 23.34 C ATOM 444 CE LYS A 34 7.606 -16.549 9.411 1.00 74.01 C ATOM 445 NZ LYS A 34 6.352 -17.087 10.009 1.00 4.34 N ATOM 0 H LYS A 34 11.127 -13.901 6.946 1.00 63.32 H new ATOM 0 HA LYS A 34 9.133 -15.899 6.528 1.00 62.30 H new ATOM 0 HB2 LYS A 34 9.079 -12.967 7.325 1.00 60.51 H new ATOM 0 HB3 LYS A 34 7.625 -13.937 7.207 1.00 60.51 H new ATOM 0 HG2 LYS A 34 9.675 -15.273 8.811 1.00 35.03 H new ATOM 0 HG3 LYS A 34 9.303 -13.680 9.438 1.00 35.03 H new ATOM 0 HD2 LYS A 34 7.536 -14.671 10.450 1.00 23.34 H new ATOM 0 HD3 LYS A 34 6.777 -14.643 8.870 1.00 23.34 H new ATOM 0 HE2 LYS A 34 7.701 -16.905 8.385 1.00 74.01 H new ATOM 0 HE3 LYS A 34 8.465 -16.933 9.962 1.00 74.01 H new ATOM 0 HZ1 LYS A 34 6.372 -18.126 9.981 1.00 4.34 H new ATOM 0 HZ2 LYS A 34 6.274 -16.769 10.996 1.00 4.34 H new ATOM 0 HZ3 LYS A 34 5.534 -16.742 9.468 1.00 4.34 H new ATOM 459 N LEU A 35 9.422 -13.481 4.332 1.00 60.13 N ATOM 460 CA LEU A 35 8.998 -13.035 3.009 1.00 13.53 C ATOM 461 C LEU A 35 10.055 -13.361 1.959 1.00 11.52 C ATOM 462 O LEU A 35 9.757 -13.442 0.768 1.00 22.24 O ATOM 463 CB LEU A 35 8.722 -11.530 3.022 1.00 52.02 C ATOM 464 CG LEU A 35 8.055 -10.980 4.283 1.00 23.24 C ATOM 465 CD1 LEU A 35 8.008 -9.461 4.243 1.00 13.31 C ATOM 466 CD2 LEU A 35 6.655 -11.555 4.441 1.00 63.51 C ATOM 0 H LEU A 35 10.207 -12.959 4.721 1.00 60.13 H new ATOM 0 HA LEU A 35 8.081 -13.565 2.750 1.00 13.53 H new ATOM 0 HB2 LEU A 35 9.667 -11.007 2.877 1.00 52.02 H new ATOM 0 HB3 LEU A 35 8.090 -11.289 2.167 1.00 52.02 H new ATOM 0 HG LEU A 35 8.649 -11.282 5.146 1.00 23.24 H new ATOM 0 HD11 LEU A 35 7.530 -9.088 5.149 1.00 13.31 H new ATOM 0 HD12 LEU A 35 9.022 -9.067 4.179 1.00 13.31 H new ATOM 0 HD13 LEU A 35 7.438 -9.137 3.372 1.00 13.31 H new ATOM 0 HD21 LEU A 35 6.196 -11.152 5.344 1.00 63.51 H new ATOM 0 HD22 LEU A 35 6.051 -11.285 3.575 1.00 63.51 H new ATOM 0 HD23 LEU A 35 6.714 -12.641 4.517 1.00 63.51 H new ATOM 478 N GLY A 36 11.292 -13.548 2.410 1.00 33.11 N ATOM 479 CA GLY A 36 12.374 -13.865 1.497 1.00 60.30 C ATOM 480 C GLY A 36 13.259 -12.669 1.209 1.00 3.02 C ATOM 481 O GLY A 36 14.198 -12.757 0.417 1.00 22.21 O ATOM 0 H GLY A 36 11.564 -13.486 3.391 1.00 33.11 H new ATOM 0 HA2 GLY A 36 12.979 -14.667 1.920 1.00 60.30 H new ATOM 0 HA3 GLY A 36 11.958 -14.239 0.561 1.00 60.30 H new ATOM 485 N THR A 37 12.960 -11.545 1.853 1.00 40.34 N ATOM 486 CA THR A 37 13.733 -10.325 1.660 1.00 44.42 C ATOM 487 C THR A 37 15.035 -10.368 2.452 1.00 42.13 C ATOM 488 O THR A 37 15.168 -11.097 3.435 1.00 70.12 O ATOM 489 CB THR A 37 12.931 -9.079 2.080 1.00 3.41 C ATOM 490 OG1 THR A 37 12.222 -9.340 3.296 1.00 0.13 O ATOM 491 CG2 THR A 37 11.949 -8.675 0.991 1.00 10.41 C ATOM 0 H THR A 37 12.188 -11.455 2.513 1.00 40.34 H new ATOM 0 HA THR A 37 13.960 -10.260 0.596 1.00 44.42 H new ATOM 0 HB THR A 37 13.632 -8.259 2.237 1.00 3.41 H new ATOM 0 HG1 THR A 37 11.716 -8.542 3.557 1.00 0.13 H new ATOM 0 HG21 THR A 37 11.394 -7.793 1.310 1.00 10.41 H new ATOM 0 HG22 THR A 37 12.495 -8.449 0.075 1.00 10.41 H new ATOM 0 HG23 THR A 37 11.254 -9.494 0.806 1.00 10.41 H new ATOM 499 N PRO A 38 16.020 -9.569 2.016 1.00 5.44 N ATOM 500 CA PRO A 38 17.330 -9.497 2.672 1.00 73.01 C ATOM 501 C PRO A 38 17.257 -8.827 4.040 1.00 44.34 C ATOM 502 O PRO A 38 16.271 -8.167 4.368 1.00 32.42 O ATOM 503 CB PRO A 38 18.164 -8.652 1.706 1.00 63.41 C ATOM 504 CG PRO A 38 17.169 -7.825 0.968 1.00 34.35 C ATOM 505 CD PRO A 38 15.932 -8.673 0.851 1.00 40.20 C ATOM 0 HA PRO A 38 17.746 -10.486 2.862 1.00 73.01 H new ATOM 0 HB2 PRO A 38 18.878 -8.027 2.242 1.00 63.41 H new ATOM 0 HB3 PRO A 38 18.739 -9.280 1.026 1.00 63.41 H new ATOM 0 HG2 PRO A 38 16.958 -6.899 1.502 1.00 34.35 H new ATOM 0 HG3 PRO A 38 17.546 -7.547 -0.016 1.00 34.35 H new ATOM 0 HD2 PRO A 38 15.026 -8.068 0.877 1.00 40.20 H new ATOM 0 HD3 PRO A 38 15.915 -9.231 -0.085 1.00 40.20 H new ATOM 513 N LYS A 39 18.308 -8.999 4.834 1.00 44.20 N ATOM 514 CA LYS A 39 18.366 -8.409 6.166 1.00 32.23 C ATOM 515 C LYS A 39 18.421 -6.887 6.086 1.00 54.02 C ATOM 516 O LYS A 39 18.026 -6.191 7.021 1.00 3.35 O ATOM 517 CB LYS A 39 19.585 -8.935 6.927 1.00 45.42 C ATOM 518 CG LYS A 39 19.550 -8.633 8.415 1.00 23.41 C ATOM 519 CD LYS A 39 20.947 -8.426 8.975 1.00 5.22 C ATOM 520 CE LYS A 39 21.387 -6.975 8.854 1.00 53.43 C ATOM 521 NZ LYS A 39 22.462 -6.637 9.827 1.00 62.31 N ATOM 0 H LYS A 39 19.132 -9.543 4.578 1.00 44.20 H new ATOM 0 HA LYS A 39 17.460 -8.694 6.701 1.00 32.23 H new ATOM 0 HB2 LYS A 39 19.654 -10.014 6.785 1.00 45.42 H new ATOM 0 HB3 LYS A 39 20.487 -8.499 6.497 1.00 45.42 H new ATOM 0 HG2 LYS A 39 18.950 -7.740 8.592 1.00 23.41 H new ATOM 0 HG3 LYS A 39 19.064 -9.454 8.942 1.00 23.41 H new ATOM 0 HD2 LYS A 39 20.969 -8.728 10.022 1.00 5.22 H new ATOM 0 HD3 LYS A 39 21.651 -9.066 8.444 1.00 5.22 H new ATOM 0 HE2 LYS A 39 21.742 -6.787 7.841 1.00 53.43 H new ATOM 0 HE3 LYS A 39 20.530 -6.321 9.018 1.00 53.43 H new ATOM 0 HZ1 LYS A 39 22.733 -5.640 9.712 1.00 62.31 H new ATOM 0 HZ2 LYS A 39 22.115 -6.792 10.795 1.00 62.31 H new ATOM 0 HZ3 LYS A 39 23.289 -7.243 9.655 1.00 62.31 H new ATOM 535 N LYS A 40 18.911 -6.376 4.962 1.00 53.25 N ATOM 536 CA LYS A 40 19.015 -4.936 4.757 1.00 52.13 C ATOM 537 C LYS A 40 17.687 -4.357 4.279 1.00 12.14 C ATOM 538 O LYS A 40 17.501 -3.141 4.263 1.00 54.34 O ATOM 539 CB LYS A 40 20.115 -4.623 3.740 1.00 52.12 C ATOM 540 CG LYS A 40 21.478 -5.166 4.132 1.00 40.20 C ATOM 541 CD LYS A 40 21.664 -6.598 3.661 1.00 65.25 C ATOM 542 CE LYS A 40 23.133 -6.923 3.433 1.00 73.44 C ATOM 543 NZ LYS A 40 23.965 -6.595 4.623 1.00 12.21 N ATOM 0 H LYS A 40 19.243 -6.938 4.178 1.00 53.25 H new ATOM 0 HA LYS A 40 19.269 -4.476 5.712 1.00 52.13 H new ATOM 0 HB2 LYS A 40 19.832 -5.038 2.772 1.00 52.12 H new ATOM 0 HB3 LYS A 40 20.186 -3.543 3.615 1.00 52.12 H new ATOM 0 HG2 LYS A 40 22.258 -4.537 3.704 1.00 40.20 H new ATOM 0 HG3 LYS A 40 21.591 -5.121 5.215 1.00 40.20 H new ATOM 0 HD2 LYS A 40 21.249 -7.282 4.401 1.00 65.25 H new ATOM 0 HD3 LYS A 40 21.108 -6.753 2.736 1.00 65.25 H new ATOM 0 HE2 LYS A 40 23.238 -7.982 3.197 1.00 73.44 H new ATOM 0 HE3 LYS A 40 23.498 -6.366 2.570 1.00 73.44 H new ATOM 0 HZ1 LYS A 40 24.906 -7.026 4.518 1.00 12.21 H new ATOM 0 HZ2 LYS A 40 24.064 -5.563 4.703 1.00 12.21 H new ATOM 0 HZ3 LYS A 40 23.507 -6.966 5.480 1.00 12.21 H new ATOM 557 N GLU A 41 16.767 -5.236 3.894 1.00 63.21 N ATOM 558 CA GLU A 41 15.457 -4.810 3.417 1.00 34.42 C ATOM 559 C GLU A 41 14.543 -4.453 4.586 1.00 54.23 C ATOM 560 O GLU A 41 14.136 -3.301 4.739 1.00 0.41 O ATOM 561 CB GLU A 41 14.814 -5.912 2.572 1.00 63.04 C ATOM 562 CG GLU A 41 13.327 -5.709 2.335 1.00 43.42 C ATOM 563 CD GLU A 41 12.996 -4.301 1.880 1.00 43.44 C ATOM 564 OE1 GLU A 41 13.879 -3.644 1.289 1.00 24.15 O ATOM 565 OE2 GLU A 41 11.853 -3.855 2.114 1.00 61.43 O ATOM 0 H GLU A 41 16.905 -6.247 3.903 1.00 63.21 H new ATOM 0 HA GLU A 41 15.594 -3.922 2.800 1.00 34.42 H new ATOM 0 HB2 GLU A 41 15.323 -5.963 1.609 1.00 63.04 H new ATOM 0 HB3 GLU A 41 14.967 -6.872 3.065 1.00 63.04 H new ATOM 0 HG2 GLU A 41 12.982 -6.420 1.584 1.00 43.42 H new ATOM 0 HG3 GLU A 41 12.783 -5.927 3.254 1.00 43.42 H new ATOM 572 N ILE A 42 14.223 -5.448 5.406 1.00 65.43 N ATOM 573 CA ILE A 42 13.358 -5.239 6.560 1.00 64.30 C ATOM 574 C ILE A 42 14.006 -4.296 7.568 1.00 32.24 C ATOM 575 O ILE A 42 13.317 -3.627 8.338 1.00 5.12 O ATOM 576 CB ILE A 42 13.022 -6.569 7.260 1.00 24.31 C ATOM 577 CG1 ILE A 42 14.210 -7.043 8.100 1.00 3.11 C ATOM 578 CG2 ILE A 42 12.637 -7.625 6.235 1.00 63.14 C ATOM 579 CD1 ILE A 42 15.387 -7.510 7.273 1.00 44.12 C ATOM 0 H ILE A 42 14.550 -6.407 5.292 1.00 65.43 H new ATOM 0 HA ILE A 42 12.437 -4.792 6.187 1.00 64.30 H new ATOM 0 HB ILE A 42 12.173 -6.408 7.924 1.00 24.31 H new ATOM 0 HG12 ILE A 42 14.533 -6.229 8.750 1.00 3.11 H new ATOM 0 HG13 ILE A 42 13.885 -7.858 8.747 1.00 3.11 H new ATOM 0 HG21 ILE A 42 12.402 -8.559 6.745 1.00 63.14 H new ATOM 0 HG22 ILE A 42 11.764 -7.288 5.676 1.00 63.14 H new ATOM 0 HG23 ILE A 42 13.468 -7.786 5.548 1.00 63.14 H new ATOM 0 HD11 ILE A 42 16.192 -7.831 7.934 1.00 44.12 H new ATOM 0 HD12 ILE A 42 15.080 -8.345 6.643 1.00 44.12 H new ATOM 0 HD13 ILE A 42 15.738 -6.691 6.645 1.00 44.12 H new ATOM 591 N ALA A 43 15.334 -4.248 7.557 1.00 52.31 N ATOM 592 CA ALA A 43 16.075 -3.384 8.468 1.00 54.33 C ATOM 593 C ALA A 43 15.945 -1.919 8.063 1.00 60.35 C ATOM 594 O ALA A 43 16.016 -1.024 8.904 1.00 4.14 O ATOM 595 CB ALA A 43 17.539 -3.794 8.510 1.00 1.14 C ATOM 0 H ALA A 43 15.919 -4.797 6.927 1.00 52.31 H new ATOM 0 HA ALA A 43 15.649 -3.497 9.465 1.00 54.33 H new ATOM 0 HB1 ALA A 43 18.080 -3.140 9.194 1.00 1.14 H new ATOM 0 HB2 ALA A 43 17.618 -4.825 8.854 1.00 1.14 H new ATOM 0 HB3 ALA A 43 17.969 -3.711 7.512 1.00 1.14 H new ATOM 601 N ARG A 44 15.755 -1.683 6.769 1.00 40.24 N ATOM 602 CA ARG A 44 15.618 -0.326 6.252 1.00 34.41 C ATOM 603 C ARG A 44 14.169 0.145 6.342 1.00 42.35 C ATOM 604 O ARG A 44 13.902 1.317 6.607 1.00 41.42 O ATOM 605 CB ARG A 44 16.098 -0.259 4.801 1.00 24.24 C ATOM 606 CG ARG A 44 17.450 0.417 4.638 1.00 14.43 C ATOM 607 CD ARG A 44 17.384 1.890 5.012 1.00 21.13 C ATOM 608 NE ARG A 44 18.702 2.433 5.330 1.00 30.03 N ATOM 609 CZ ARG A 44 18.909 3.694 5.693 1.00 62.02 C ATOM 610 NH1 ARG A 44 17.890 4.537 5.783 1.00 2.32 N ATOM 611 NH2 ARG A 44 20.138 4.114 5.966 1.00 30.44 N ATOM 0 H ARG A 44 15.692 -2.413 6.060 1.00 40.24 H new ATOM 0 HA ARG A 44 16.236 0.333 6.862 1.00 34.41 H new ATOM 0 HB2 ARG A 44 16.156 -1.271 4.399 1.00 24.24 H new ATOM 0 HB3 ARG A 44 15.359 0.278 4.207 1.00 24.24 H new ATOM 0 HG2 ARG A 44 18.187 -0.086 5.264 1.00 14.43 H new ATOM 0 HG3 ARG A 44 17.786 0.317 3.606 1.00 14.43 H new ATOM 0 HD2 ARG A 44 16.949 2.454 4.187 1.00 21.13 H new ATOM 0 HD3 ARG A 44 16.723 2.017 5.869 1.00 21.13 H new ATOM 0 HE ARG A 44 19.507 1.810 5.270 1.00 30.03 H new ATOM 0 HH11 ARG A 44 16.944 4.218 5.573 1.00 2.32 H new ATOM 0 HH12 ARG A 44 18.052 5.505 6.062 1.00 2.32 H new ATOM 0 HH21 ARG A 44 20.925 3.468 5.897 1.00 30.44 H new ATOM 0 HH22 ARG A 44 20.296 5.082 6.245 1.00 30.44 H new ATOM 625 N VAL A 45 13.237 -0.776 6.118 1.00 43.13 N ATOM 626 CA VAL A 45 11.816 -0.455 6.173 1.00 1.05 C ATOM 627 C VAL A 45 11.393 -0.080 7.589 1.00 14.21 C ATOM 628 O VAL A 45 10.682 0.905 7.796 1.00 34.51 O ATOM 629 CB VAL A 45 10.955 -1.636 5.688 1.00 54.45 C ATOM 630 CG1 VAL A 45 9.475 -1.317 5.843 1.00 24.34 C ATOM 631 CG2 VAL A 45 11.286 -1.977 4.242 1.00 14.25 C ATOM 0 H VAL A 45 13.441 -1.751 5.897 1.00 43.13 H new ATOM 0 HA VAL A 45 11.657 0.396 5.511 1.00 1.05 H new ATOM 0 HB VAL A 45 11.181 -2.506 6.304 1.00 54.45 H new ATOM 0 HG11 VAL A 45 8.882 -2.163 5.495 1.00 24.34 H new ATOM 0 HG12 VAL A 45 9.252 -1.125 6.893 1.00 24.34 H new ATOM 0 HG13 VAL A 45 9.229 -0.434 5.252 1.00 24.34 H new ATOM 0 HG21 VAL A 45 10.669 -2.814 3.915 1.00 14.25 H new ATOM 0 HG22 VAL A 45 11.088 -1.111 3.610 1.00 14.25 H new ATOM 0 HG23 VAL A 45 12.338 -2.250 4.164 1.00 14.25 H new ATOM 641 N LEU A 46 11.834 -0.870 8.562 1.00 51.14 N ATOM 642 CA LEU A 46 11.501 -0.621 9.960 1.00 43.00 C ATOM 643 C LEU A 46 12.191 0.641 10.467 1.00 1.34 C ATOM 644 O LEU A 46 11.686 1.320 11.360 1.00 13.45 O ATOM 645 CB LEU A 46 11.906 -1.818 10.822 1.00 74.42 C ATOM 646 CG LEU A 46 13.365 -1.855 11.278 1.00 15.10 C ATOM 647 CD1 LEU A 46 13.528 -1.124 12.602 1.00 64.04 C ATOM 648 CD2 LEU A 46 13.850 -3.292 11.397 1.00 65.14 C ATOM 0 H LEU A 46 12.423 -1.688 8.408 1.00 51.14 H new ATOM 0 HA LEU A 46 10.423 -0.478 10.031 1.00 43.00 H new ATOM 0 HB2 LEU A 46 11.269 -1.835 11.707 1.00 74.42 H new ATOM 0 HB3 LEU A 46 11.698 -2.730 10.262 1.00 74.42 H new ATOM 0 HG LEU A 46 13.973 -1.348 10.529 1.00 15.10 H new ATOM 0 HD11 LEU A 46 14.573 -1.160 12.911 1.00 64.04 H new ATOM 0 HD12 LEU A 46 13.220 -0.085 12.484 1.00 64.04 H new ATOM 0 HD13 LEU A 46 12.908 -1.602 13.360 1.00 64.04 H new ATOM 0 HD21 LEU A 46 14.890 -3.299 11.723 1.00 65.14 H new ATOM 0 HD22 LEU A 46 13.238 -3.823 12.126 1.00 65.14 H new ATOM 0 HD23 LEU A 46 13.770 -3.785 10.428 1.00 65.14 H new ATOM 660 N ALA A 47 13.348 0.950 9.890 1.00 54.21 N ATOM 661 CA ALA A 47 14.105 2.133 10.281 1.00 55.05 C ATOM 662 C ALA A 47 13.514 3.393 9.657 1.00 43.21 C ATOM 663 O ALA A 47 13.746 4.502 10.138 1.00 40.42 O ATOM 664 CB ALA A 47 15.565 1.980 9.883 1.00 23.35 C ATOM 0 H ALA A 47 13.781 0.397 9.150 1.00 54.21 H new ATOM 0 HA ALA A 47 14.044 2.232 11.365 1.00 55.05 H new ATOM 0 HB1 ALA A 47 16.119 2.870 10.181 1.00 23.35 H new ATOM 0 HB2 ALA A 47 15.988 1.107 10.380 1.00 23.35 H new ATOM 0 HB3 ALA A 47 15.636 1.853 8.803 1.00 23.35 H new ATOM 670 N SER A 48 12.751 3.215 8.583 1.00 1.04 N ATOM 671 CA SER A 48 12.131 4.339 7.891 1.00 22.21 C ATOM 672 C SER A 48 10.829 4.746 8.574 1.00 70.03 C ATOM 673 O SER A 48 10.476 5.926 8.611 1.00 22.41 O ATOM 674 CB SER A 48 11.863 3.979 6.429 1.00 73.14 C ATOM 675 OG SER A 48 11.796 5.142 5.621 1.00 31.52 O ATOM 0 H SER A 48 12.547 2.303 8.173 1.00 1.04 H new ATOM 0 HA SER A 48 12.820 5.183 7.930 1.00 22.21 H new ATOM 0 HB2 SER A 48 12.652 3.323 6.062 1.00 73.14 H new ATOM 0 HB3 SER A 48 10.927 3.425 6.353 1.00 73.14 H new ATOM 0 HG SER A 48 11.625 4.885 4.691 1.00 31.52 H new ATOM 681 N LEU A 49 10.118 3.762 9.113 1.00 62.43 N ATOM 682 CA LEU A 49 8.854 4.015 9.795 1.00 0.40 C ATOM 683 C LEU A 49 9.091 4.440 11.241 1.00 61.41 C ATOM 684 O LEU A 49 8.279 5.152 11.830 1.00 31.23 O ATOM 685 CB LEU A 49 7.971 2.767 9.756 1.00 21.11 C ATOM 686 CG LEU A 49 7.674 2.198 8.368 1.00 22.23 C ATOM 687 CD1 LEU A 49 6.483 1.254 8.422 1.00 21.21 C ATOM 688 CD2 LEU A 49 7.422 3.322 7.374 1.00 72.32 C ATOM 0 H LEU A 49 10.396 2.781 9.091 1.00 62.43 H new ATOM 0 HA LEU A 49 8.346 4.827 9.276 1.00 0.40 H new ATOM 0 HB2 LEU A 49 8.450 1.989 10.351 1.00 21.11 H new ATOM 0 HB3 LEU A 49 7.023 3.001 10.241 1.00 21.11 H new ATOM 0 HG LEU A 49 8.544 1.633 8.034 1.00 22.23 H new ATOM 0 HD11 LEU A 49 6.286 0.859 7.425 1.00 21.21 H new ATOM 0 HD12 LEU A 49 6.702 0.431 9.102 1.00 21.21 H new ATOM 0 HD13 LEU A 49 5.606 1.795 8.777 1.00 21.21 H new ATOM 0 HD21 LEU A 49 7.212 2.899 6.392 1.00 72.32 H new ATOM 0 HD22 LEU A 49 6.569 3.915 7.703 1.00 72.32 H new ATOM 0 HD23 LEU A 49 8.304 3.959 7.314 1.00 72.32 H new ATOM 700 N ALA A 50 10.211 3.999 11.805 1.00 35.34 N ATOM 701 CA ALA A 50 10.557 4.336 13.181 1.00 52.15 C ATOM 702 C ALA A 50 10.996 5.792 13.295 1.00 62.24 C ATOM 703 O ALA A 50 11.006 6.365 14.384 1.00 20.13 O ATOM 704 CB ALA A 50 11.651 3.411 13.691 1.00 24.24 C ATOM 0 H ALA A 50 10.894 3.408 11.331 1.00 35.34 H new ATOM 0 HA ALA A 50 9.668 4.203 13.797 1.00 52.15 H new ATOM 0 HB1 ALA A 50 11.900 3.674 14.719 1.00 24.24 H new ATOM 0 HB2 ALA A 50 11.301 2.379 13.654 1.00 24.24 H new ATOM 0 HB3 ALA A 50 12.537 3.516 13.065 1.00 24.24 H new ATOM 710 N LYS A 51 11.360 6.386 12.163 1.00 61.50 N ATOM 711 CA LYS A 51 11.800 7.775 12.135 1.00 44.32 C ATOM 712 C LYS A 51 10.607 8.723 12.072 1.00 72.00 C ATOM 713 O LYS A 51 10.712 9.895 12.433 1.00 12.25 O ATOM 714 CB LYS A 51 12.720 8.016 10.935 1.00 0.15 C ATOM 715 CG LYS A 51 13.649 9.205 11.111 1.00 61.15 C ATOM 716 CD LYS A 51 14.389 9.529 9.823 1.00 34.13 C ATOM 717 CE LYS A 51 15.294 10.740 9.990 1.00 32.22 C ATOM 718 NZ LYS A 51 14.517 11.977 10.280 1.00 44.02 N ATOM 0 H LYS A 51 11.359 5.926 11.253 1.00 61.50 H new ATOM 0 HA LYS A 51 12.351 7.974 13.054 1.00 44.32 H new ATOM 0 HB2 LYS A 51 13.318 7.121 10.760 1.00 0.15 H new ATOM 0 HB3 LYS A 51 12.110 8.171 10.045 1.00 0.15 H new ATOM 0 HG2 LYS A 51 13.073 10.074 11.430 1.00 61.15 H new ATOM 0 HG3 LYS A 51 14.369 8.992 11.902 1.00 61.15 H new ATOM 0 HD2 LYS A 51 14.984 8.668 9.517 1.00 34.13 H new ATOM 0 HD3 LYS A 51 13.669 9.718 9.026 1.00 34.13 H new ATOM 0 HE2 LYS A 51 16.000 10.557 10.800 1.00 32.22 H new ATOM 0 HE3 LYS A 51 15.880 10.884 9.082 1.00 32.22 H new ATOM 0 HZ1 LYS A 51 15.133 12.808 10.170 1.00 44.02 H new ATOM 0 HZ2 LYS A 51 13.718 12.048 9.618 1.00 44.02 H new ATOM 0 HZ3 LYS A 51 14.157 11.940 11.255 1.00 44.02 H new ATOM 732 N LYS A 52 9.472 8.208 11.612 1.00 33.22 N ATOM 733 CA LYS A 52 8.257 9.007 11.504 1.00 33.44 C ATOM 734 C LYS A 52 7.381 8.834 12.741 1.00 12.43 C ATOM 735 O LYS A 52 6.450 9.606 12.967 1.00 0.52 O ATOM 736 CB LYS A 52 7.472 8.612 10.252 1.00 75.24 C ATOM 737 CG LYS A 52 6.929 7.194 10.296 1.00 74.04 C ATOM 738 CD LYS A 52 5.817 6.991 9.280 1.00 33.22 C ATOM 739 CE LYS A 52 4.549 7.725 9.688 1.00 53.54 C ATOM 740 NZ LYS A 52 3.884 8.372 8.523 1.00 74.04 N ATOM 0 H LYS A 52 9.368 7.240 11.308 1.00 33.22 H new ATOM 0 HA LYS A 52 8.547 10.055 11.428 1.00 33.44 H new ATOM 0 HB2 LYS A 52 6.642 9.306 10.120 1.00 75.24 H new ATOM 0 HB3 LYS A 52 8.118 8.718 9.380 1.00 75.24 H new ATOM 0 HG2 LYS A 52 7.736 6.488 10.099 1.00 74.04 H new ATOM 0 HG3 LYS A 52 6.553 6.978 11.296 1.00 74.04 H new ATOM 0 HD2 LYS A 52 6.146 7.346 8.303 1.00 33.22 H new ATOM 0 HD3 LYS A 52 5.606 5.927 9.178 1.00 33.22 H new ATOM 0 HE2 LYS A 52 3.859 7.024 10.157 1.00 53.54 H new ATOM 0 HE3 LYS A 52 4.791 8.482 10.434 1.00 53.54 H new ATOM 0 HZ1 LYS A 52 3.024 8.862 8.842 1.00 74.04 H new ATOM 0 HZ2 LYS A 52 4.533 9.059 8.090 1.00 74.04 H new ATOM 0 HZ3 LYS A 52 3.630 7.647 7.822 1.00 74.04 H new ATOM 754 N GLY A 53 7.687 7.817 13.541 1.00 74.23 N ATOM 755 CA GLY A 53 6.918 7.563 14.746 1.00 45.05 C ATOM 756 C GLY A 53 5.896 6.459 14.560 1.00 45.12 C ATOM 757 O GLY A 53 5.001 6.285 15.387 1.00 4.21 O ATOM 0 H GLY A 53 8.453 7.164 13.376 1.00 74.23 H new ATOM 0 HA2 GLY A 53 7.596 7.294 15.556 1.00 45.05 H new ATOM 0 HA3 GLY A 53 6.409 8.478 15.048 1.00 45.05 H new ATOM 761 N LYS A 54 6.028 5.711 13.470 1.00 74.05 N ATOM 762 CA LYS A 54 5.108 4.618 13.176 1.00 24.21 C ATOM 763 C LYS A 54 5.669 3.288 13.670 1.00 0.12 C ATOM 764 O LYS A 54 4.920 2.344 13.928 1.00 45.43 O ATOM 765 CB LYS A 54 4.838 4.542 11.672 1.00 74.22 C ATOM 766 CG LYS A 54 3.824 3.477 11.289 1.00 24.12 C ATOM 767 CD LYS A 54 3.086 3.843 10.013 1.00 74.11 C ATOM 768 CE LYS A 54 2.338 2.649 9.440 1.00 61.35 C ATOM 769 NZ LYS A 54 2.043 2.823 7.990 1.00 22.33 N ATOM 0 H LYS A 54 6.763 5.842 12.775 1.00 74.05 H new ATOM 0 HA LYS A 54 4.171 4.814 13.698 1.00 24.21 H new ATOM 0 HB2 LYS A 54 4.482 5.512 11.326 1.00 74.22 H new ATOM 0 HB3 LYS A 54 5.775 4.343 11.153 1.00 74.22 H new ATOM 0 HG2 LYS A 54 4.331 2.522 11.156 1.00 24.12 H new ATOM 0 HG3 LYS A 54 3.108 3.347 12.100 1.00 24.12 H new ATOM 0 HD2 LYS A 54 2.383 4.651 10.217 1.00 74.11 H new ATOM 0 HD3 LYS A 54 3.796 4.217 9.275 1.00 74.11 H new ATOM 0 HE2 LYS A 54 2.931 1.746 9.584 1.00 61.35 H new ATOM 0 HE3 LYS A 54 1.405 2.509 9.986 1.00 61.35 H new ATOM 0 HZ1 LYS A 54 1.533 1.988 7.637 1.00 22.33 H new ATOM 0 HZ2 LYS A 54 1.456 3.671 7.854 1.00 22.33 H new ATOM 0 HZ3 LYS A 54 2.934 2.931 7.465 1.00 22.33 H new ATOM 783 N LEU A 55 6.989 3.220 13.802 1.00 42.33 N ATOM 784 CA LEU A 55 7.650 2.006 14.267 1.00 63.10 C ATOM 785 C LEU A 55 8.553 2.300 15.461 1.00 53.50 C ATOM 786 O LEU A 55 8.805 3.460 15.789 1.00 60.45 O ATOM 787 CB LEU A 55 8.470 1.382 13.136 1.00 55.23 C ATOM 788 CG LEU A 55 7.763 0.307 12.309 1.00 21.25 C ATOM 789 CD1 LEU A 55 7.595 -0.967 13.123 1.00 24.00 C ATOM 790 CD2 LEU A 55 6.413 0.811 11.820 1.00 2.03 C ATOM 0 H LEU A 55 7.623 3.992 13.594 1.00 42.33 H new ATOM 0 HA LEU A 55 6.880 1.301 14.581 1.00 63.10 H new ATOM 0 HB2 LEU A 55 8.789 2.178 12.463 1.00 55.23 H new ATOM 0 HB3 LEU A 55 9.372 0.947 13.566 1.00 55.23 H new ATOM 0 HG LEU A 55 8.380 0.081 11.439 1.00 21.25 H new ATOM 0 HD11 LEU A 55 7.090 -1.721 12.519 1.00 24.00 H new ATOM 0 HD12 LEU A 55 8.575 -1.339 13.423 1.00 24.00 H new ATOM 0 HD13 LEU A 55 7.000 -0.755 14.011 1.00 24.00 H new ATOM 0 HD21 LEU A 55 5.925 0.033 11.234 1.00 2.03 H new ATOM 0 HD22 LEU A 55 5.788 1.066 12.676 1.00 2.03 H new ATOM 0 HD23 LEU A 55 6.558 1.696 11.200 1.00 2.03 H new ATOM 802 N GLN A 56 9.037 1.244 16.105 1.00 32.43 N ATOM 803 CA GLN A 56 9.913 1.390 17.262 1.00 75.21 C ATOM 804 C GLN A 56 10.955 0.277 17.300 1.00 52.03 C ATOM 805 O GLN A 56 10.648 -0.864 17.645 1.00 70.32 O ATOM 806 CB GLN A 56 9.093 1.381 18.553 1.00 34.12 C ATOM 807 CG GLN A 56 8.469 2.726 18.887 1.00 0.52 C ATOM 808 CD GLN A 56 9.436 3.660 19.587 1.00 5.52 C ATOM 809 OE1 GLN A 56 10.605 3.758 19.211 1.00 11.22 O ATOM 810 NE2 GLN A 56 8.954 4.354 20.612 1.00 71.32 N ATOM 0 H GLN A 56 8.838 0.278 15.846 1.00 32.43 H new ATOM 0 HA GLN A 56 10.431 2.345 17.175 1.00 75.21 H new ATOM 0 HB2 GLN A 56 8.303 0.635 18.467 1.00 34.12 H new ATOM 0 HB3 GLN A 56 9.734 1.072 19.379 1.00 34.12 H new ATOM 0 HG2 GLN A 56 8.116 3.196 17.969 1.00 0.52 H new ATOM 0 HG3 GLN A 56 7.597 2.570 19.522 1.00 0.52 H new ATOM 0 HE21 GLN A 56 7.979 4.242 20.890 1.00 71.32 H new ATOM 0 HE22 GLN A 56 9.559 4.999 21.121 1.00 71.32 H new ATOM 819 N LYS A 57 12.189 0.616 16.942 1.00 14.52 N ATOM 820 CA LYS A 57 13.278 -0.353 16.936 1.00 52.23 C ATOM 821 C LYS A 57 13.902 -0.480 18.322 1.00 53.42 C ATOM 822 O LYS A 57 14.686 0.372 18.739 1.00 31.10 O ATOM 823 CB LYS A 57 14.346 0.057 15.919 1.00 23.44 C ATOM 824 CG LYS A 57 14.831 1.486 16.089 1.00 1.01 C ATOM 825 CD LYS A 57 16.336 1.544 16.289 1.00 42.30 C ATOM 826 CE LYS A 57 17.082 1.249 14.997 1.00 50.24 C ATOM 827 NZ LYS A 57 16.931 2.350 14.005 1.00 33.01 N ATOM 0 H LYS A 57 12.460 1.556 16.652 1.00 14.52 H new ATOM 0 HA LYS A 57 12.867 -1.322 16.653 1.00 52.23 H new ATOM 0 HB2 LYS A 57 15.197 -0.619 16.005 1.00 23.44 H new ATOM 0 HB3 LYS A 57 13.943 -0.064 14.913 1.00 23.44 H new ATOM 0 HG2 LYS A 57 14.557 2.071 15.211 1.00 1.01 H new ATOM 0 HG3 LYS A 57 14.332 1.941 16.944 1.00 1.01 H new ATOM 0 HD2 LYS A 57 16.618 2.531 16.656 1.00 42.30 H new ATOM 0 HD3 LYS A 57 16.631 0.824 17.053 1.00 42.30 H new ATOM 0 HE2 LYS A 57 18.139 1.099 15.214 1.00 50.24 H new ATOM 0 HE3 LYS A 57 16.710 0.319 14.567 1.00 50.24 H new ATOM 0 HZ1 LYS A 57 17.642 2.240 13.254 1.00 33.01 H new ATOM 0 HZ2 LYS A 57 15.979 2.314 13.588 1.00 33.01 H new ATOM 0 HZ3 LYS A 57 17.067 3.266 14.479 1.00 33.01 H new ATOM 841 N GLU A 58 13.549 -1.548 19.029 1.00 32.43 N ATOM 842 CA GLU A 58 14.076 -1.785 20.368 1.00 34.41 C ATOM 843 C GLU A 58 15.557 -2.149 20.314 1.00 53.05 C ATOM 844 O GLU A 58 15.917 -3.325 20.277 1.00 31.14 O ATOM 845 CB GLU A 58 13.290 -2.902 21.059 1.00 22.11 C ATOM 846 CG GLU A 58 12.883 -2.568 22.484 1.00 25.14 C ATOM 847 CD GLU A 58 11.736 -1.578 22.547 1.00 23.41 C ATOM 848 OE1 GLU A 58 11.182 -1.244 21.480 1.00 54.13 O ATOM 849 OE2 GLU A 58 11.393 -1.139 23.665 1.00 44.33 O ATOM 0 H GLU A 58 12.901 -2.263 18.698 1.00 32.43 H new ATOM 0 HA GLU A 58 13.967 -0.865 20.942 1.00 34.41 H new ATOM 0 HB2 GLU A 58 12.395 -3.119 20.476 1.00 22.11 H new ATOM 0 HB3 GLU A 58 13.894 -3.809 21.066 1.00 22.11 H new ATOM 0 HG2 GLU A 58 12.596 -3.484 23.000 1.00 25.14 H new ATOM 0 HG3 GLU A 58 13.741 -2.158 23.016 1.00 25.14 H new ATOM 856 N ALA A 59 16.410 -1.130 20.307 1.00 21.22 N ATOM 857 CA ALA A 59 17.851 -1.342 20.258 1.00 5.54 C ATOM 858 C ALA A 59 18.456 -1.325 21.658 1.00 24.11 C ATOM 859 O ALA A 59 19.095 -0.353 22.057 1.00 4.35 O ATOM 860 CB ALA A 59 18.510 -0.285 19.384 1.00 5.12 C ATOM 0 H ALA A 59 16.128 -0.150 20.335 1.00 21.22 H new ATOM 0 HA ALA A 59 18.035 -2.324 19.823 1.00 5.54 H new ATOM 0 HB1 ALA A 59 19.586 -0.455 19.356 1.00 5.12 H new ATOM 0 HB2 ALA A 59 18.107 -0.346 18.373 1.00 5.12 H new ATOM 0 HB3 ALA A 59 18.310 0.704 19.796 1.00 5.12 H new ATOM 866 N GLY A 60 18.250 -2.409 22.400 1.00 33.01 N ATOM 867 CA GLY A 60 18.781 -2.498 23.748 1.00 54.22 C ATOM 868 C GLY A 60 18.956 -3.931 24.209 1.00 60.13 C ATOM 869 O GLY A 60 19.445 -4.778 23.459 1.00 14.53 O ATOM 0 H GLY A 60 17.725 -3.227 22.092 1.00 33.01 H new ATOM 0 HA2 GLY A 60 19.742 -1.986 23.791 1.00 54.22 H new ATOM 0 HA3 GLY A 60 18.112 -1.978 24.434 1.00 54.22 H new ATOM 873 N THR A 61 18.558 -4.206 25.447 1.00 0.01 N ATOM 874 CA THR A 61 18.676 -5.546 26.008 1.00 3.22 C ATOM 875 C THR A 61 17.885 -6.558 25.187 1.00 3.41 C ATOM 876 O THR A 61 18.437 -7.504 24.626 1.00 74.53 O ATOM 877 CB THR A 61 18.185 -5.589 27.467 1.00 34.23 C ATOM 878 OG1 THR A 61 19.258 -5.258 28.356 1.00 74.11 O ATOM 879 CG2 THR A 61 17.639 -6.966 27.814 1.00 61.32 C ATOM 0 H THR A 61 18.151 -3.518 26.081 1.00 0.01 H new ATOM 0 HA THR A 61 19.734 -5.808 25.980 1.00 3.22 H new ATOM 0 HB THR A 61 17.383 -4.859 27.578 1.00 34.23 H new ATOM 0 HG1 THR A 61 18.937 -5.286 29.281 1.00 74.11 H new ATOM 0 HG21 THR A 61 17.298 -6.972 28.849 1.00 61.32 H new ATOM 0 HG22 THR A 61 16.803 -7.203 27.156 1.00 61.32 H new ATOM 0 HG23 THR A 61 18.424 -7.711 27.686 1.00 61.32 H new ATOM 887 N PRO A 62 16.561 -6.355 25.113 1.00 64.20 N ATOM 888 CA PRO A 62 15.666 -7.239 24.361 1.00 62.51 C ATOM 889 C PRO A 62 15.867 -7.122 22.854 1.00 64.40 C ATOM 890 O PRO A 62 15.515 -6.120 22.232 1.00 3.45 O ATOM 891 CB PRO A 62 14.271 -6.749 24.754 1.00 55.21 C ATOM 892 CG PRO A 62 14.466 -5.324 25.144 1.00 33.30 C ATOM 893 CD PRO A 62 15.837 -5.247 25.757 1.00 35.02 C ATOM 0 HA PRO A 62 15.844 -8.290 24.590 1.00 62.51 H new ATOM 0 HB2 PRO A 62 13.571 -6.840 23.924 1.00 55.21 H new ATOM 0 HB3 PRO A 62 13.864 -7.333 25.579 1.00 55.21 H new ATOM 0 HG2 PRO A 62 14.389 -4.668 24.277 1.00 33.30 H new ATOM 0 HG3 PRO A 62 13.703 -5.006 25.854 1.00 33.30 H new ATOM 0 HD2 PRO A 62 16.313 -4.287 25.558 1.00 35.02 H new ATOM 0 HD3 PRO A 62 15.800 -5.366 26.840 1.00 35.02 H new ATOM 901 N PRO A 63 16.447 -8.171 22.250 1.00 15.22 N ATOM 902 CA PRO A 63 16.706 -8.210 20.808 1.00 4.51 C ATOM 903 C PRO A 63 15.424 -8.322 19.991 1.00 61.42 C ATOM 904 O PRO A 63 14.986 -9.423 19.652 1.00 3.12 O ATOM 905 CB PRO A 63 17.563 -9.466 20.636 1.00 71.54 C ATOM 906 CG PRO A 63 17.200 -10.333 21.792 1.00 63.44 C ATOM 907 CD PRO A 63 16.892 -9.399 22.929 1.00 72.51 C ATOM 0 HA PRO A 63 17.187 -7.298 20.455 1.00 4.51 H new ATOM 0 HB2 PRO A 63 17.353 -9.962 19.688 1.00 71.54 H new ATOM 0 HB3 PRO A 63 18.626 -9.224 20.641 1.00 71.54 H new ATOM 0 HG2 PRO A 63 16.339 -10.958 21.556 1.00 63.44 H new ATOM 0 HG3 PRO A 63 18.020 -11.004 22.049 1.00 63.44 H new ATOM 0 HD2 PRO A 63 16.117 -9.801 23.581 1.00 72.51 H new ATOM 0 HD3 PRO A 63 17.769 -9.219 23.550 1.00 72.51 H new ATOM 915 N LEU A 64 14.826 -7.179 19.676 1.00 0.22 N ATOM 916 CA LEU A 64 13.593 -7.149 18.897 1.00 31.12 C ATOM 917 C LEU A 64 13.116 -5.716 18.687 1.00 41.32 C ATOM 918 O LEU A 64 13.826 -4.762 19.006 1.00 41.13 O ATOM 919 CB LEU A 64 12.504 -7.963 19.598 1.00 20.32 C ATOM 920 CG LEU A 64 11.663 -8.872 18.701 1.00 62.20 C ATOM 921 CD1 LEU A 64 11.983 -10.334 18.973 1.00 54.02 C ATOM 922 CD2 LEU A 64 10.180 -8.601 18.907 1.00 21.14 C ATOM 0 H LEU A 64 15.175 -6.260 19.948 1.00 0.22 H new ATOM 0 HA LEU A 64 13.798 -7.591 17.922 1.00 31.12 H new ATOM 0 HB2 LEU A 64 12.975 -8.578 20.365 1.00 20.32 H new ATOM 0 HB3 LEU A 64 11.835 -7.272 20.110 1.00 20.32 H new ATOM 0 HG LEU A 64 11.910 -8.654 17.662 1.00 62.20 H new ATOM 0 HD11 LEU A 64 11.375 -10.966 18.326 1.00 54.02 H new ATOM 0 HD12 LEU A 64 13.038 -10.519 18.773 1.00 54.02 H new ATOM 0 HD13 LEU A 64 11.765 -10.566 20.015 1.00 54.02 H new ATOM 0 HD21 LEU A 64 9.597 -9.257 18.261 1.00 21.14 H new ATOM 0 HD22 LEU A 64 9.917 -8.790 19.948 1.00 21.14 H new ATOM 0 HD23 LEU A 64 9.962 -7.562 18.661 1.00 21.14 H new ATOM 934 N TRP A 65 11.910 -5.572 18.150 1.00 33.05 N ATOM 935 CA TRP A 65 11.337 -4.254 17.900 1.00 71.33 C ATOM 936 C TRP A 65 9.815 -4.326 17.831 1.00 25.14 C ATOM 937 O TRP A 65 9.247 -5.364 17.490 1.00 4.25 O ATOM 938 CB TRP A 65 11.891 -3.674 16.598 1.00 45.22 C ATOM 939 CG TRP A 65 11.913 -4.660 15.470 1.00 65.24 C ATOM 940 CD1 TRP A 65 12.887 -5.581 15.205 1.00 52.13 C ATOM 941 CD2 TRP A 65 10.918 -4.823 14.454 1.00 52.53 C ATOM 942 NE1 TRP A 65 12.556 -6.306 14.085 1.00 1.23 N ATOM 943 CE2 TRP A 65 11.352 -5.861 13.606 1.00 5.44 C ATOM 944 CE3 TRP A 65 9.701 -4.194 14.178 1.00 14.24 C ATOM 945 CZ2 TRP A 65 10.613 -6.281 12.504 1.00 14.43 C ATOM 946 CZ3 TRP A 65 8.968 -4.612 13.084 1.00 15.40 C ATOM 947 CH2 TRP A 65 9.425 -5.647 12.258 1.00 33.33 C ATOM 0 H TRP A 65 11.310 -6.351 17.879 1.00 33.05 H new ATOM 0 HA TRP A 65 11.614 -3.602 18.728 1.00 71.33 H new ATOM 0 HB2 TRP A 65 11.289 -2.813 16.307 1.00 45.22 H new ATOM 0 HB3 TRP A 65 12.904 -3.310 16.773 1.00 45.22 H new ATOM 0 HD1 TRP A 65 13.785 -5.719 15.789 1.00 52.13 H new ATOM 0 HE1 TRP A 65 13.116 -7.054 13.677 1.00 1.23 H new ATOM 0 HE3 TRP A 65 9.340 -3.395 14.809 1.00 14.24 H new ATOM 0 HZ2 TRP A 65 10.964 -7.078 11.866 1.00 14.43 H new ATOM 0 HZ3 TRP A 65 8.026 -4.132 12.862 1.00 15.40 H new ATOM 0 HH2 TRP A 65 8.828 -5.951 11.411 1.00 33.33 H new ATOM 958 N LYS A 66 9.160 -3.217 18.157 1.00 31.32 N ATOM 959 CA LYS A 66 7.703 -3.153 18.131 1.00 24.45 C ATOM 960 C LYS A 66 7.224 -2.018 17.232 1.00 24.40 C ATOM 961 O LYS A 66 8.018 -1.186 16.792 1.00 12.32 O ATOM 962 CB LYS A 66 7.156 -2.962 19.548 1.00 53.04 C ATOM 963 CG LYS A 66 7.382 -1.567 20.104 1.00 55.34 C ATOM 964 CD LYS A 66 6.830 -1.432 21.513 1.00 22.11 C ATOM 965 CE LYS A 66 6.588 0.024 21.880 1.00 30.13 C ATOM 966 NZ LYS A 66 5.912 0.158 23.201 1.00 45.04 N ATOM 0 H LYS A 66 9.615 -2.350 18.442 1.00 31.32 H new ATOM 0 HA LYS A 66 7.329 -4.094 17.727 1.00 24.45 H new ATOM 0 HB2 LYS A 66 6.087 -3.175 19.548 1.00 53.04 H new ATOM 0 HB3 LYS A 66 7.626 -3.689 20.211 1.00 53.04 H new ATOM 0 HG2 LYS A 66 8.449 -1.344 20.107 1.00 55.34 H new ATOM 0 HG3 LYS A 66 6.905 -0.834 19.454 1.00 55.34 H new ATOM 0 HD2 LYS A 66 5.896 -1.989 21.594 1.00 22.11 H new ATOM 0 HD3 LYS A 66 7.528 -1.876 22.223 1.00 22.11 H new ATOM 0 HE2 LYS A 66 7.539 0.556 21.903 1.00 30.13 H new ATOM 0 HE3 LYS A 66 5.978 0.496 21.110 1.00 30.13 H new ATOM 0 HZ1 LYS A 66 5.765 1.165 23.415 1.00 45.04 H new ATOM 0 HZ2 LYS A 66 4.993 -0.328 23.171 1.00 45.04 H new ATOM 0 HZ3 LYS A 66 6.506 -0.270 23.940 1.00 45.04 H new ATOM 980 N ILE A 67 5.923 -1.991 16.964 1.00 3.11 N ATOM 981 CA ILE A 67 5.340 -0.956 16.119 1.00 35.34 C ATOM 982 C ILE A 67 4.632 0.103 16.957 1.00 3.35 C ATOM 983 O ILE A 67 4.457 -0.060 18.164 1.00 22.45 O ATOM 984 CB ILE A 67 4.338 -1.551 15.112 1.00 12.20 C ATOM 985 CG1 ILE A 67 2.954 -1.682 15.752 1.00 24.33 C ATOM 986 CG2 ILE A 67 4.827 -2.902 14.613 1.00 21.33 C ATOM 987 CD1 ILE A 67 2.940 -2.558 16.986 1.00 3.50 C ATOM 0 H ILE A 67 5.253 -2.673 17.319 1.00 3.11 H new ATOM 0 HA ILE A 67 6.162 -0.494 15.572 1.00 35.34 H new ATOM 0 HB ILE A 67 4.260 -0.877 14.259 1.00 12.20 H new ATOM 0 HG12 ILE A 67 2.589 -0.689 16.017 1.00 24.33 H new ATOM 0 HG13 ILE A 67 2.260 -2.091 15.018 1.00 24.33 H new ATOM 0 HG21 ILE A 67 4.108 -3.309 13.902 1.00 21.33 H new ATOM 0 HG22 ILE A 67 5.793 -2.781 14.123 1.00 21.33 H new ATOM 0 HG23 ILE A 67 4.931 -3.585 15.456 1.00 21.33 H new ATOM 0 HD11 ILE A 67 1.927 -2.606 17.387 1.00 3.50 H new ATOM 0 HD12 ILE A 67 3.274 -3.562 16.723 1.00 3.50 H new ATOM 0 HD13 ILE A 67 3.608 -2.138 17.738 1.00 3.50 H new ATOM 999 N ALA A 68 4.226 1.189 16.308 1.00 2.52 N ATOM 1000 CA ALA A 68 3.534 2.275 16.993 1.00 61.55 C ATOM 1001 C ALA A 68 2.164 2.529 16.373 1.00 42.01 C ATOM 1002 O ALA A 68 1.172 2.696 17.084 1.00 43.03 O ATOM 1003 CB ALA A 68 4.375 3.542 16.957 1.00 1.04 C ATOM 0 H ALA A 68 4.364 1.341 15.309 1.00 2.52 H new ATOM 0 HA ALA A 68 3.385 1.981 18.032 1.00 61.55 H new ATOM 0 HB1 ALA A 68 3.846 4.344 17.472 1.00 1.04 H new ATOM 0 HB2 ALA A 68 5.329 3.360 17.452 1.00 1.04 H new ATOM 0 HB3 ALA A 68 4.553 3.831 15.921 1.00 1.04 H new