USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 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 37 TYR OH : rot 135:sc= 0.488 USER MOD Set 1.2: A 40 GLN : amide:sc= 0.275 X(o=0.76,f=0.99) USER MOD Set 2.1: A 32 GLN : amide:sc= 0.428 K(o=0.44,f=-4!) USER MOD Set 2.2: A 88 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 2 THR OG1 : rot 44:sc= 0.207 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 8 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.057) USER MOD Single : A 13 LYS NZ :NH3+ 143:sc= 1.29 (180deg=0.556) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -150:sc= -0.317 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.774 K(o=-0.77,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.045 X(o=-0.045,f=-0.37) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.0855 (180deg=-0.358) USER MOD Single : A 34 MET CE :methyl -147:sc= -0.307 (180deg=-0.783) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 160:sc= -0.0878 (180deg=-0.513) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 14:sc= 0.355 USER MOD Single : A 51 GLN : amide:sc= 0.3 K(o=0.3,f=-4.7!) USER MOD Single : A 53 HIS : no HD1:sc= 1.06 K(o=1.1,f=-3.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -2.16! C(o=-2.2!,f=-4.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 75 THR OG1 : rot 92:sc= 0.508 USER MOD Single : A 76 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.64) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.577 USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0375) USER MOD Single : A 85 LYS NZ :NH3+ -146:sc= 0.603 (180deg=0.125) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -11.385 -2.767 -1.955 1.00 33.10 N ATOM 21 CA THR A 2 -10.970 -3.781 -2.943 1.00 10.53 C ATOM 22 C THR A 2 -9.633 -3.368 -3.576 1.00 54.03 C ATOM 23 O THR A 2 -9.230 -2.190 -3.502 1.00 4.04 O ATOM 24 CB THR A 2 -12.050 -4.025 -4.066 1.00 71.41 C ATOM 25 OG1 THR A 2 -11.599 -5.031 -4.989 1.00 43.14 O ATOM 26 CG2 THR A 2 -12.409 -2.752 -4.847 1.00 14.20 C ATOM 0 HA THR A 2 -10.858 -4.724 -2.408 1.00 10.53 H new ATOM 0 HB THR A 2 -12.950 -4.359 -3.550 1.00 71.41 H new ATOM 0 HG1 THR A 2 -11.197 -5.774 -4.492 1.00 43.14 H new ATOM 0 HG21 THR A 2 -13.157 -2.988 -5.604 1.00 14.20 H new ATOM 0 HG22 THR A 2 -12.810 -2.006 -4.161 1.00 14.20 H new ATOM 0 HG23 THR A 2 -11.515 -2.357 -5.330 1.00 14.20 H new ATOM 34 N GLY A 3 -8.963 -4.345 -4.206 1.00 3.53 N ATOM 35 CA GLY A 3 -7.706 -4.110 -4.906 1.00 74.22 C ATOM 36 C GLY A 3 -7.824 -3.151 -6.077 1.00 31.10 C ATOM 37 O GLY A 3 -6.818 -2.609 -6.519 1.00 4.21 O ATOM 0 H GLY A 3 -9.281 -5.313 -4.240 1.00 3.53 H new ATOM 0 HA2 GLY A 3 -6.976 -3.716 -4.199 1.00 74.22 H new ATOM 0 HA3 GLY A 3 -7.319 -5.063 -5.267 1.00 74.22 H new ATOM 41 N GLN A 4 -9.062 -2.946 -6.573 1.00 35.53 N ATOM 42 CA GLN A 4 -9.348 -2.012 -7.676 1.00 12.41 C ATOM 43 C GLN A 4 -9.213 -0.552 -7.193 1.00 5.35 C ATOM 44 O GLN A 4 -8.737 0.310 -7.940 1.00 72.53 O ATOM 45 CB GLN A 4 -10.767 -2.289 -8.242 1.00 33.03 C ATOM 46 CG GLN A 4 -11.109 -1.525 -9.538 1.00 55.31 C ATOM 47 CD GLN A 4 -12.523 -1.803 -10.058 1.00 53.30 C ATOM 48 OE1 GLN A 4 -13.079 -2.885 -9.862 1.00 4.43 O ATOM 49 NE2 GLN A 4 -13.111 -0.830 -10.730 1.00 31.13 N ATOM 0 H GLN A 4 -9.890 -3.425 -6.218 1.00 35.53 H new ATOM 0 HA GLN A 4 -8.623 -2.165 -8.475 1.00 12.41 H new ATOM 0 HB2 GLN A 4 -10.865 -3.358 -8.431 1.00 33.03 H new ATOM 0 HB3 GLN A 4 -11.503 -2.031 -7.480 1.00 33.03 H new ATOM 0 HG2 GLN A 4 -11.000 -0.455 -9.359 1.00 55.31 H new ATOM 0 HG3 GLN A 4 -10.388 -1.794 -10.310 1.00 55.31 H new ATOM 0 HE21 GLN A 4 -12.625 0.055 -10.876 1.00 31.13 H new ATOM 0 HE22 GLN A 4 -14.051 -0.963 -11.103 1.00 31.13 H new ATOM 58 N GLU A 5 -9.623 -0.295 -5.925 1.00 22.33 N ATOM 59 CA GLU A 5 -9.500 1.042 -5.290 1.00 62.05 C ATOM 60 C GLU A 5 -8.026 1.401 -5.093 1.00 32.43 C ATOM 61 O GLU A 5 -7.584 2.492 -5.444 1.00 2.21 O ATOM 62 CB GLU A 5 -10.206 1.087 -3.908 1.00 42.30 C ATOM 63 CG GLU A 5 -11.667 0.628 -3.908 1.00 53.12 C ATOM 64 CD GLU A 5 -12.562 1.411 -4.879 1.00 40.04 C ATOM 65 OE1 GLU A 5 -13.037 2.504 -4.501 1.00 14.15 O ATOM 66 OE2 GLU A 5 -12.796 0.938 -6.014 1.00 41.04 O ATOM 0 H GLU A 5 -10.044 -1.000 -5.320 1.00 22.33 H new ATOM 0 HA GLU A 5 -9.980 1.759 -5.956 1.00 62.05 H new ATOM 0 HB2 GLU A 5 -9.646 0.464 -3.211 1.00 42.30 H new ATOM 0 HB3 GLU A 5 -10.162 2.108 -3.528 1.00 42.30 H new ATOM 0 HG2 GLU A 5 -11.706 -0.430 -4.166 1.00 53.12 H new ATOM 0 HG3 GLU A 5 -12.069 0.725 -2.899 1.00 53.12 H new ATOM 73 N LEU A 6 -7.291 0.433 -4.521 1.00 12.32 N ATOM 74 CA LEU A 6 -5.869 0.571 -4.186 1.00 72.41 C ATOM 75 C LEU A 6 -5.022 0.722 -5.467 1.00 62.52 C ATOM 76 O LEU A 6 -4.100 1.538 -5.507 1.00 2.14 O ATOM 77 CB LEU A 6 -5.440 -0.658 -3.341 1.00 22.02 C ATOM 78 CG LEU A 6 -3.995 -0.654 -2.743 1.00 52.20 C ATOM 79 CD1 LEU A 6 -3.692 0.636 -1.940 1.00 22.10 C ATOM 80 CD2 LEU A 6 -3.786 -1.911 -1.868 1.00 23.45 C ATOM 0 H LEU A 6 -7.676 -0.479 -4.276 1.00 12.32 H new ATOM 0 HA LEU A 6 -5.704 1.474 -3.597 1.00 72.41 H new ATOM 0 HB2 LEU A 6 -6.145 -0.762 -2.516 1.00 22.02 H new ATOM 0 HB3 LEU A 6 -5.544 -1.547 -3.963 1.00 22.02 H new ATOM 0 HG LEU A 6 -3.292 -0.674 -3.575 1.00 52.20 H new ATOM 0 HD11 LEU A 6 -2.677 0.589 -1.546 1.00 22.10 H new ATOM 0 HD12 LEU A 6 -3.788 1.503 -2.594 1.00 22.10 H new ATOM 0 HD13 LEU A 6 -4.398 0.725 -1.114 1.00 22.10 H new ATOM 0 HD21 LEU A 6 -2.778 -1.903 -1.454 1.00 23.45 H new ATOM 0 HD22 LEU A 6 -4.512 -1.913 -1.055 1.00 23.45 H new ATOM 0 HD23 LEU A 6 -3.921 -2.805 -2.477 1.00 23.45 H new ATOM 92 N ARG A 7 -5.389 -0.045 -6.517 1.00 60.31 N ATOM 93 CA ARG A 7 -4.794 0.060 -7.872 1.00 1.34 C ATOM 94 C ARG A 7 -4.954 1.490 -8.404 1.00 21.31 C ATOM 95 O ARG A 7 -3.970 2.145 -8.769 1.00 44.32 O ATOM 96 CB ARG A 7 -5.493 -0.943 -8.844 1.00 62.40 C ATOM 97 CG ARG A 7 -5.006 -0.919 -10.315 1.00 33.42 C ATOM 98 CD ARG A 7 -3.521 -1.304 -10.481 1.00 35.23 C ATOM 99 NE ARG A 7 -3.149 -1.476 -11.901 1.00 44.40 N ATOM 100 CZ ARG A 7 -3.024 -2.657 -12.530 1.00 25.24 C ATOM 101 NH1 ARG A 7 -3.230 -3.796 -11.883 1.00 24.20 N ATOM 102 NH2 ARG A 7 -2.678 -2.686 -13.802 1.00 42.03 N ATOM 0 H ARG A 7 -6.112 -0.761 -6.450 1.00 60.31 H new ATOM 0 HA ARG A 7 -3.733 -0.184 -7.810 1.00 1.34 H new ATOM 0 HB2 ARG A 7 -5.355 -1.951 -8.454 1.00 62.40 H new ATOM 0 HB3 ARG A 7 -6.564 -0.741 -8.834 1.00 62.40 H new ATOM 0 HG2 ARG A 7 -5.618 -1.603 -10.903 1.00 33.42 H new ATOM 0 HG3 ARG A 7 -5.162 0.079 -10.724 1.00 33.42 H new ATOM 0 HD2 ARG A 7 -2.894 -0.533 -10.033 1.00 35.23 H new ATOM 0 HD3 ARG A 7 -3.324 -2.229 -9.940 1.00 35.23 H new ATOM 0 HE ARG A 7 -2.973 -0.632 -12.446 1.00 44.40 H new ATOM 0 HH11 ARG A 7 -3.487 -3.783 -10.896 1.00 24.20 H new ATOM 0 HH12 ARG A 7 -3.132 -4.686 -12.372 1.00 24.20 H new ATOM 0 HH21 ARG A 7 -2.507 -1.815 -14.304 1.00 42.03 H new ATOM 0 HH22 ARG A 7 -2.582 -3.580 -14.284 1.00 42.03 H new ATOM 116 N GLN A 8 -6.213 1.967 -8.378 1.00 34.33 N ATOM 117 CA GLN A 8 -6.589 3.282 -8.905 1.00 33.12 C ATOM 118 C GLN A 8 -5.860 4.391 -8.115 1.00 64.02 C ATOM 119 O GLN A 8 -5.411 5.358 -8.698 1.00 23.32 O ATOM 120 CB GLN A 8 -8.142 3.462 -8.834 1.00 43.32 C ATOM 121 CG GLN A 8 -8.772 4.352 -9.932 1.00 1.14 C ATOM 122 CD GLN A 8 -8.263 5.795 -9.954 1.00 64.22 C ATOM 123 OE1 GLN A 8 -8.813 6.676 -9.291 1.00 55.31 O ATOM 124 NE2 GLN A 8 -7.202 6.035 -10.715 1.00 41.55 N ATOM 0 H GLN A 8 -6.997 1.445 -7.988 1.00 34.33 H new ATOM 0 HA GLN A 8 -6.288 3.355 -9.950 1.00 33.12 H new ATOM 0 HB2 GLN A 8 -8.605 2.476 -8.883 1.00 43.32 H new ATOM 0 HB3 GLN A 8 -8.395 3.885 -7.862 1.00 43.32 H new ATOM 0 HG2 GLN A 8 -8.579 3.898 -10.904 1.00 1.14 H new ATOM 0 HG3 GLN A 8 -9.853 4.364 -9.795 1.00 1.14 H new ATOM 0 HE21 GLN A 8 -6.776 5.278 -11.249 1.00 41.55 H new ATOM 0 HE22 GLN A 8 -6.813 6.977 -10.766 1.00 41.55 H new ATOM 133 N LEU A 9 -5.701 4.186 -6.795 1.00 33.14 N ATOM 134 CA LEU A 9 -5.102 5.183 -5.879 1.00 41.23 C ATOM 135 C LEU A 9 -3.615 5.451 -6.228 1.00 32.44 C ATOM 136 O LEU A 9 -3.142 6.594 -6.150 1.00 4.01 O ATOM 137 CB LEU A 9 -5.263 4.691 -4.409 1.00 12.52 C ATOM 138 CG LEU A 9 -4.863 5.693 -3.280 1.00 53.11 C ATOM 139 CD1 LEU A 9 -5.667 7.013 -3.368 1.00 22.23 C ATOM 140 CD2 LEU A 9 -5.019 5.034 -1.886 1.00 55.32 C ATOM 0 H LEU A 9 -5.984 3.324 -6.329 1.00 33.14 H new ATOM 0 HA LEU A 9 -5.626 6.132 -5.995 1.00 41.23 H new ATOM 0 HB2 LEU A 9 -6.305 4.409 -4.258 1.00 12.52 H new ATOM 0 HB3 LEU A 9 -4.667 3.787 -4.287 1.00 12.52 H new ATOM 0 HG LEU A 9 -3.813 5.950 -3.423 1.00 53.11 H new ATOM 0 HD11 LEU A 9 -5.358 7.682 -2.565 1.00 22.23 H new ATOM 0 HD12 LEU A 9 -5.479 7.490 -4.330 1.00 22.23 H new ATOM 0 HD13 LEU A 9 -6.731 6.798 -3.272 1.00 22.23 H new ATOM 0 HD21 LEU A 9 -4.736 5.748 -1.112 1.00 55.32 H new ATOM 0 HD22 LEU A 9 -6.056 4.733 -1.740 1.00 55.32 H new ATOM 0 HD23 LEU A 9 -4.375 4.157 -1.824 1.00 55.32 H new ATOM 152 N LEU A 10 -2.902 4.390 -6.653 1.00 54.14 N ATOM 153 CA LEU A 10 -1.479 4.480 -7.066 1.00 30.01 C ATOM 154 C LEU A 10 -1.369 5.074 -8.493 1.00 23.43 C ATOM 155 O LEU A 10 -0.398 5.766 -8.819 1.00 3.23 O ATOM 156 CB LEU A 10 -0.814 3.075 -7.010 1.00 2.25 C ATOM 157 CG LEU A 10 -1.051 2.253 -5.701 1.00 51.41 C ATOM 158 CD1 LEU A 10 -0.513 0.821 -5.835 1.00 55.05 C ATOM 159 CD2 LEU A 10 -0.460 2.949 -4.463 1.00 25.11 C ATOM 0 H LEU A 10 -3.289 3.449 -6.721 1.00 54.14 H new ATOM 0 HA LEU A 10 -0.955 5.141 -6.375 1.00 30.01 H new ATOM 0 HB2 LEU A 10 -1.179 2.489 -7.854 1.00 2.25 H new ATOM 0 HB3 LEU A 10 0.260 3.198 -7.148 1.00 2.25 H new ATOM 0 HG LEU A 10 -2.130 2.198 -5.555 1.00 51.41 H new ATOM 0 HD11 LEU A 10 -0.693 0.276 -4.908 1.00 55.05 H new ATOM 0 HD12 LEU A 10 -1.021 0.317 -6.657 1.00 55.05 H new ATOM 0 HD13 LEU A 10 0.558 0.852 -6.035 1.00 55.05 H new ATOM 0 HD21 LEU A 10 -0.649 2.341 -3.579 1.00 25.11 H new ATOM 0 HD22 LEU A 10 0.615 3.074 -4.594 1.00 25.11 H new ATOM 0 HD23 LEU A 10 -0.926 3.926 -4.338 1.00 25.11 H new ATOM 171 N LEU A 11 -2.390 4.791 -9.329 1.00 11.03 N ATOM 172 CA LEU A 11 -2.481 5.305 -10.721 1.00 73.24 C ATOM 173 C LEU A 11 -2.937 6.774 -10.750 1.00 33.02 C ATOM 174 O LEU A 11 -2.653 7.512 -11.698 1.00 65.15 O ATOM 175 CB LEU A 11 -3.477 4.446 -11.540 1.00 10.11 C ATOM 176 CG LEU A 11 -3.098 2.949 -11.721 1.00 14.45 C ATOM 177 CD1 LEU A 11 -4.224 2.181 -12.443 1.00 2.01 C ATOM 178 CD2 LEU A 11 -1.751 2.809 -12.456 1.00 61.42 C ATOM 0 H LEU A 11 -3.177 4.200 -9.062 1.00 11.03 H new ATOM 0 HA LEU A 11 -1.486 5.243 -11.162 1.00 73.24 H new ATOM 0 HB2 LEU A 11 -4.453 4.497 -11.057 1.00 10.11 H new ATOM 0 HB3 LEU A 11 -3.586 4.894 -12.527 1.00 10.11 H new ATOM 0 HG LEU A 11 -2.979 2.503 -10.733 1.00 14.45 H new ATOM 0 HD11 LEU A 11 -3.936 1.136 -12.558 1.00 2.01 H new ATOM 0 HD12 LEU A 11 -5.140 2.242 -11.856 1.00 2.01 H new ATOM 0 HD13 LEU A 11 -4.393 2.621 -13.426 1.00 2.01 H new ATOM 0 HD21 LEU A 11 -1.507 1.753 -12.571 1.00 61.42 H new ATOM 0 HD22 LEU A 11 -1.823 3.274 -13.439 1.00 61.42 H new ATOM 0 HD23 LEU A 11 -0.969 3.301 -11.879 1.00 61.42 H new ATOM 190 N ASP A 12 -3.653 7.170 -9.701 1.00 74.25 N ATOM 191 CA ASP A 12 -4.196 8.521 -9.546 1.00 42.12 C ATOM 192 C ASP A 12 -3.088 9.444 -9.045 1.00 31.31 C ATOM 193 O ASP A 12 -2.888 10.536 -9.572 1.00 23.32 O ATOM 194 CB ASP A 12 -5.399 8.495 -8.557 1.00 62.14 C ATOM 195 CG ASP A 12 -6.002 9.883 -8.274 1.00 44.12 C ATOM 196 OD1 ASP A 12 -6.787 10.392 -9.112 1.00 2.31 O ATOM 197 OD2 ASP A 12 -5.701 10.479 -7.215 1.00 71.04 O ATOM 0 H ASP A 12 -3.877 6.553 -8.921 1.00 74.25 H new ATOM 0 HA ASP A 12 -4.558 8.895 -10.504 1.00 42.12 H new ATOM 0 HB2 ASP A 12 -6.176 7.847 -8.962 1.00 62.14 H new ATOM 0 HB3 ASP A 12 -5.074 8.052 -7.616 1.00 62.14 H new ATOM 202 N LYS A 13 -2.362 8.958 -8.030 1.00 60.45 N ATOM 203 CA LYS A 13 -1.296 9.712 -7.371 1.00 52.42 C ATOM 204 C LYS A 13 -0.027 9.797 -8.246 1.00 61.45 C ATOM 205 O LYS A 13 0.422 10.892 -8.603 1.00 71.34 O ATOM 206 CB LYS A 13 -0.953 9.061 -6.001 1.00 34.13 C ATOM 207 CG LYS A 13 0.074 9.855 -5.170 1.00 32.40 C ATOM 208 CD LYS A 13 -0.406 11.296 -4.899 1.00 71.44 C ATOM 209 CE LYS A 13 0.658 12.165 -4.231 1.00 23.53 C ATOM 210 NZ LYS A 13 0.139 13.538 -3.992 1.00 14.31 N ATOM 0 H LYS A 13 -2.501 8.025 -7.643 1.00 60.45 H new ATOM 0 HA LYS A 13 -1.659 10.728 -7.213 1.00 52.42 H new ATOM 0 HB2 LYS A 13 -1.870 8.954 -5.421 1.00 34.13 H new ATOM 0 HB3 LYS A 13 -0.567 8.057 -6.174 1.00 34.13 H new ATOM 0 HG2 LYS A 13 0.248 9.345 -4.223 1.00 32.40 H new ATOM 0 HG3 LYS A 13 1.027 9.882 -5.698 1.00 32.40 H new ATOM 0 HD2 LYS A 13 -0.704 11.757 -5.841 1.00 71.44 H new ATOM 0 HD3 LYS A 13 -1.292 11.265 -4.265 1.00 71.44 H new ATOM 0 HE2 LYS A 13 0.961 11.715 -3.285 1.00 23.53 H new ATOM 0 HE3 LYS A 13 1.546 12.211 -4.861 1.00 23.53 H new ATOM 0 HZ1 LYS A 13 0.507 13.895 -3.087 1.00 14.31 H new ATOM 0 HZ2 LYS A 13 0.447 14.165 -4.763 1.00 14.31 H new ATOM 0 HZ3 LYS A 13 -0.900 13.515 -3.959 1.00 14.31 H new ATOM 224 N TRP A 14 0.541 8.629 -8.571 1.00 34.44 N ATOM 225 CA TRP A 14 1.864 8.527 -9.224 1.00 55.12 C ATOM 226 C TRP A 14 1.746 8.148 -10.713 1.00 4.24 C ATOM 227 O TRP A 14 2.657 8.430 -11.499 1.00 3.12 O ATOM 228 CB TRP A 14 2.726 7.482 -8.473 1.00 11.10 C ATOM 229 CG TRP A 14 3.086 7.865 -7.045 1.00 22.22 C ATOM 230 CD1 TRP A 14 3.853 8.928 -6.647 1.00 55.11 C ATOM 231 CD2 TRP A 14 2.726 7.175 -5.834 1.00 1.45 C ATOM 232 NE1 TRP A 14 3.976 8.944 -5.283 1.00 73.52 N ATOM 233 CE2 TRP A 14 3.296 7.883 -4.758 1.00 40.24 C ATOM 234 CE3 TRP A 14 1.970 6.035 -5.554 1.00 42.24 C ATOM 235 CZ2 TRP A 14 3.137 7.492 -3.432 1.00 44.34 C ATOM 236 CZ3 TRP A 14 1.820 5.645 -4.235 1.00 21.40 C ATOM 237 CH2 TRP A 14 2.401 6.371 -3.190 1.00 22.03 C ATOM 0 H TRP A 14 0.102 7.726 -8.392 1.00 34.44 H new ATOM 0 HA TRP A 14 2.341 9.506 -9.178 1.00 55.12 H new ATOM 0 HB2 TRP A 14 2.190 6.533 -8.456 1.00 11.10 H new ATOM 0 HB3 TRP A 14 3.646 7.319 -9.034 1.00 11.10 H new ATOM 0 HD1 TRP A 14 4.298 9.651 -7.314 1.00 55.11 H new ATOM 0 HE1 TRP A 14 4.494 9.639 -4.745 1.00 73.52 H new ATOM 0 HE3 TRP A 14 1.511 5.469 -6.351 1.00 42.24 H new ATOM 0 HZ2 TRP A 14 3.580 8.056 -2.625 1.00 44.34 H new ATOM 0 HZ3 TRP A 14 1.242 4.761 -4.007 1.00 21.40 H new ATOM 0 HH2 TRP A 14 2.264 6.037 -2.172 1.00 22.03 H new ATOM 248 N GLY A 15 0.631 7.498 -11.091 1.00 70.41 N ATOM 249 CA GLY A 15 0.420 7.041 -12.473 1.00 22.34 C ATOM 250 C GLY A 15 1.120 5.721 -12.788 1.00 45.14 C ATOM 251 O GLY A 15 1.313 5.379 -13.958 1.00 3.33 O ATOM 0 H GLY A 15 -0.137 7.278 -10.457 1.00 70.41 H new ATOM 0 HA2 GLY A 15 -0.649 6.928 -12.651 1.00 22.34 H new ATOM 0 HA3 GLY A 15 0.779 7.807 -13.160 1.00 22.34 H new ATOM 255 N TYR A 16 1.503 4.978 -11.732 1.00 11.54 N ATOM 256 CA TYR A 16 2.188 3.673 -11.851 1.00 31.11 C ATOM 257 C TYR A 16 1.568 2.677 -10.878 1.00 3.52 C ATOM 258 O TYR A 16 1.207 3.036 -9.747 1.00 31.13 O ATOM 259 CB TYR A 16 3.716 3.791 -11.592 1.00 64.43 C ATOM 260 CG TYR A 16 4.466 4.544 -12.693 1.00 41.43 C ATOM 261 CD1 TYR A 16 4.833 3.897 -13.873 1.00 60.24 C ATOM 262 CD2 TYR A 16 4.767 5.904 -12.573 1.00 23.42 C ATOM 263 CE1 TYR A 16 5.469 4.579 -14.899 1.00 62.24 C ATOM 264 CE2 TYR A 16 5.412 6.585 -13.591 1.00 43.23 C ATOM 265 CZ TYR A 16 5.755 5.921 -14.749 1.00 73.42 C ATOM 266 OH TYR A 16 6.368 6.611 -15.779 1.00 24.11 O ATOM 0 H TYR A 16 1.346 5.266 -10.766 1.00 11.54 H new ATOM 0 HA TYR A 16 2.057 3.321 -12.874 1.00 31.11 H new ATOM 0 HB2 TYR A 16 3.877 4.299 -10.641 1.00 64.43 H new ATOM 0 HB3 TYR A 16 4.138 2.791 -11.495 1.00 64.43 H new ATOM 0 HD1 TYR A 16 4.618 2.845 -13.990 1.00 60.24 H new ATOM 0 HD2 TYR A 16 4.492 6.432 -11.672 1.00 23.42 H new ATOM 0 HE1 TYR A 16 5.739 4.064 -15.809 1.00 62.24 H new ATOM 0 HE2 TYR A 16 5.646 7.633 -13.478 1.00 43.23 H new ATOM 0 HH TYR A 16 6.498 7.546 -15.515 1.00 24.11 H new ATOM 276 N SER A 17 1.458 1.434 -11.338 1.00 61.51 N ATOM 277 CA SER A 17 0.844 0.340 -10.595 1.00 0.45 C ATOM 278 C SER A 17 1.864 -0.291 -9.627 1.00 1.03 C ATOM 279 O SER A 17 2.364 -1.397 -9.865 1.00 53.44 O ATOM 280 CB SER A 17 0.294 -0.682 -11.619 1.00 15.21 C ATOM 281 OG SER A 17 1.291 -1.019 -12.582 1.00 61.40 O ATOM 0 H SER A 17 1.801 1.154 -12.257 1.00 61.51 H new ATOM 0 HA SER A 17 0.020 0.702 -9.980 1.00 0.45 H new ATOM 0 HB2 SER A 17 -0.036 -1.582 -11.100 1.00 15.21 H new ATOM 0 HB3 SER A 17 -0.579 -0.266 -12.122 1.00 15.21 H new ATOM 0 HG SER A 17 0.861 -1.244 -13.433 1.00 61.40 H new ATOM 287 N TYR A 18 2.174 0.429 -8.534 1.00 12.13 N ATOM 288 CA TYR A 18 3.166 -0.007 -7.527 1.00 44.31 C ATOM 289 C TYR A 18 2.665 -1.185 -6.677 1.00 4.22 C ATOM 290 O TYR A 18 1.464 -1.402 -6.533 1.00 43.21 O ATOM 291 CB TYR A 18 3.555 1.174 -6.603 1.00 30.11 C ATOM 292 CG TYR A 18 4.392 2.249 -7.291 1.00 1.32 C ATOM 293 CD1 TYR A 18 5.734 2.016 -7.585 1.00 43.15 C ATOM 294 CD2 TYR A 18 3.853 3.484 -7.644 1.00 73.24 C ATOM 295 CE1 TYR A 18 6.509 2.975 -8.197 1.00 44.32 C ATOM 296 CE2 TYR A 18 4.628 4.444 -8.261 1.00 31.52 C ATOM 297 CZ TYR A 18 5.951 4.186 -8.536 1.00 20.11 C ATOM 298 OH TYR A 18 6.721 5.150 -9.153 1.00 2.05 O ATOM 0 H TYR A 18 1.746 1.330 -8.321 1.00 12.13 H new ATOM 0 HA TYR A 18 4.042 -0.348 -8.078 1.00 44.31 H new ATOM 0 HB2 TYR A 18 2.646 1.631 -6.211 1.00 30.11 H new ATOM 0 HB3 TYR A 18 4.110 0.786 -5.749 1.00 30.11 H new ATOM 0 HD1 TYR A 18 6.175 1.064 -7.328 1.00 43.15 H new ATOM 0 HD2 TYR A 18 2.815 3.693 -7.432 1.00 73.24 H new ATOM 0 HE1 TYR A 18 7.549 2.778 -8.410 1.00 44.32 H new ATOM 0 HE2 TYR A 18 4.196 5.397 -8.528 1.00 31.52 H new ATOM 0 HH TYR A 18 6.174 5.945 -9.325 1.00 2.05 H new ATOM 308 N ASP A 19 3.609 -1.934 -6.109 1.00 55.11 N ATOM 309 CA ASP A 19 3.301 -3.037 -5.198 1.00 24.34 C ATOM 310 C ASP A 19 3.434 -2.530 -3.764 1.00 2.11 C ATOM 311 O ASP A 19 4.459 -1.968 -3.398 1.00 71.32 O ATOM 312 CB ASP A 19 4.256 -4.224 -5.445 1.00 42.12 C ATOM 313 CG ASP A 19 3.785 -5.500 -4.726 1.00 31.24 C ATOM 314 OD1 ASP A 19 4.139 -5.707 -3.544 1.00 50.20 O ATOM 315 OD2 ASP A 19 3.024 -6.284 -5.336 1.00 24.31 O ATOM 0 H ASP A 19 4.607 -1.794 -6.266 1.00 55.11 H new ATOM 0 HA ASP A 19 2.284 -3.389 -5.372 1.00 24.34 H new ATOM 0 HB2 ASP A 19 4.327 -4.416 -6.516 1.00 42.12 H new ATOM 0 HB3 ASP A 19 5.257 -3.962 -5.101 1.00 42.12 H new ATOM 320 N VAL A 20 2.387 -2.713 -2.973 1.00 20.50 N ATOM 321 CA VAL A 20 2.345 -2.265 -1.572 1.00 24.44 C ATOM 322 C VAL A 20 2.501 -3.484 -0.638 1.00 31.23 C ATOM 323 O VAL A 20 1.873 -4.524 -0.859 1.00 61.43 O ATOM 324 CB VAL A 20 1.003 -1.498 -1.290 1.00 5.40 C ATOM 325 CG1 VAL A 20 0.926 -0.185 -2.104 1.00 1.25 C ATOM 326 CG2 VAL A 20 -0.230 -2.382 -1.577 1.00 24.34 C ATOM 0 H VAL A 20 1.533 -3.179 -3.279 1.00 20.50 H new ATOM 0 HA VAL A 20 3.168 -1.576 -1.382 1.00 24.44 H new ATOM 0 HB VAL A 20 0.996 -1.246 -0.230 1.00 5.40 H new ATOM 0 HG11 VAL A 20 -0.014 0.323 -1.887 1.00 1.25 H new ATOM 0 HG12 VAL A 20 1.759 0.462 -1.831 1.00 1.25 H new ATOM 0 HG13 VAL A 20 0.978 -0.413 -3.169 1.00 1.25 H new ATOM 0 HG21 VAL A 20 -1.139 -1.817 -1.370 1.00 24.34 H new ATOM 0 HG22 VAL A 20 -0.223 -2.688 -2.623 1.00 24.34 H new ATOM 0 HG23 VAL A 20 -0.200 -3.266 -0.940 1.00 24.34 H new ATOM 336 N GLN A 21 3.336 -3.353 0.403 1.00 54.14 N ATOM 337 CA GLN A 21 3.690 -4.483 1.290 1.00 34.24 C ATOM 338 C GLN A 21 3.569 -4.077 2.769 1.00 63.24 C ATOM 339 O GLN A 21 4.125 -3.059 3.181 1.00 15.12 O ATOM 340 CB GLN A 21 5.138 -4.965 0.993 1.00 60.04 C ATOM 341 CG GLN A 21 5.610 -6.149 1.879 1.00 75.15 C ATOM 342 CD GLN A 21 7.083 -6.535 1.705 1.00 53.33 C ATOM 343 OE1 GLN A 21 7.458 -7.693 1.880 1.00 63.11 O ATOM 344 NE2 GLN A 21 7.940 -5.567 1.411 1.00 61.40 N ATOM 0 H GLN A 21 3.784 -2.472 0.657 1.00 54.14 H new ATOM 0 HA GLN A 21 2.993 -5.298 1.096 1.00 34.24 H new ATOM 0 HB2 GLN A 21 5.202 -5.261 -0.054 1.00 60.04 H new ATOM 0 HB3 GLN A 21 5.823 -4.128 1.130 1.00 60.04 H new ATOM 0 HG2 GLN A 21 5.437 -5.894 2.924 1.00 75.15 H new ATOM 0 HG3 GLN A 21 4.992 -7.019 1.657 1.00 75.15 H new ATOM 0 HE21 GLN A 21 7.604 -4.614 1.270 1.00 61.40 H new ATOM 0 HE22 GLN A 21 8.935 -5.775 1.325 1.00 61.40 H new ATOM 353 N PHE A 22 2.832 -4.886 3.550 1.00 50.34 N ATOM 354 CA PHE A 22 2.745 -4.735 5.015 1.00 31.41 C ATOM 355 C PHE A 22 4.086 -5.058 5.687 1.00 23.40 C ATOM 356 O PHE A 22 4.843 -5.910 5.209 1.00 32.24 O ATOM 357 CB PHE A 22 1.644 -5.649 5.613 1.00 25.12 C ATOM 358 CG PHE A 22 0.225 -5.168 5.348 1.00 22.44 C ATOM 359 CD1 PHE A 22 -0.229 -3.960 5.880 1.00 4.22 C ATOM 360 CD2 PHE A 22 -0.657 -5.927 4.595 1.00 63.35 C ATOM 361 CE1 PHE A 22 -1.522 -3.536 5.660 1.00 41.42 C ATOM 362 CE2 PHE A 22 -1.942 -5.498 4.377 1.00 72.24 C ATOM 363 CZ PHE A 22 -2.377 -4.307 4.907 1.00 53.24 C ATOM 0 H PHE A 22 2.280 -5.662 3.185 1.00 50.34 H new ATOM 0 HA PHE A 22 2.488 -3.694 5.210 1.00 31.41 H new ATOM 0 HB2 PHE A 22 1.758 -6.653 5.204 1.00 25.12 H new ATOM 0 HB3 PHE A 22 1.795 -5.725 6.690 1.00 25.12 H new ATOM 0 HD1 PHE A 22 0.440 -3.351 6.470 1.00 4.22 H new ATOM 0 HD2 PHE A 22 -0.329 -6.867 4.175 1.00 63.35 H new ATOM 0 HE1 PHE A 22 -1.863 -2.600 6.078 1.00 41.42 H new ATOM 0 HE2 PHE A 22 -2.616 -6.100 3.785 1.00 72.24 H new ATOM 0 HZ PHE A 22 -3.390 -3.976 4.732 1.00 53.24 H new ATOM 373 N ARG A 23 4.340 -4.390 6.814 1.00 72.25 N ATOM 374 CA ARG A 23 5.574 -4.558 7.571 1.00 73.11 C ATOM 375 C ARG A 23 5.364 -4.082 9.003 1.00 20.44 C ATOM 376 O ARG A 23 5.006 -2.923 9.238 1.00 21.41 O ATOM 377 CB ARG A 23 6.723 -3.766 6.914 1.00 24.44 C ATOM 378 CG ARG A 23 8.101 -3.977 7.576 1.00 23.40 C ATOM 379 CD ARG A 23 9.185 -3.177 6.862 1.00 0.13 C ATOM 380 NE ARG A 23 10.531 -3.431 7.389 1.00 14.33 N ATOM 381 CZ ARG A 23 11.662 -2.976 6.836 1.00 23.42 C ATOM 382 NH1 ARG A 23 11.637 -2.232 5.728 1.00 1.52 N ATOM 383 NH2 ARG A 23 12.824 -3.294 7.376 1.00 13.12 N ATOM 0 H ARG A 23 3.693 -3.717 7.225 1.00 72.25 H new ATOM 0 HA ARG A 23 5.843 -5.614 7.577 1.00 73.11 H new ATOM 0 HB2 ARG A 23 6.790 -4.050 5.864 1.00 24.44 H new ATOM 0 HB3 ARG A 23 6.479 -2.704 6.942 1.00 24.44 H new ATOM 0 HG2 ARG A 23 8.054 -3.677 8.623 1.00 23.40 H new ATOM 0 HG3 ARG A 23 8.357 -5.036 7.559 1.00 23.40 H new ATOM 0 HD2 ARG A 23 9.166 -3.419 5.799 1.00 0.13 H new ATOM 0 HD3 ARG A 23 8.961 -2.114 6.951 1.00 0.13 H new ATOM 0 HE ARG A 23 10.610 -3.994 8.236 1.00 14.33 H new ATOM 0 HH11 ARG A 23 10.746 -2.001 5.289 1.00 1.52 H new ATOM 0 HH12 ARG A 23 12.509 -1.894 5.321 1.00 1.52 H new ATOM 0 HH21 ARG A 23 12.855 -3.882 8.209 1.00 13.12 H new ATOM 0 HH22 ARG A 23 13.690 -2.951 6.961 1.00 13.12 H new ATOM 397 N ARG A 24 5.608 -4.982 9.943 1.00 12.41 N ATOM 398 CA ARG A 24 5.461 -4.702 11.373 1.00 33.12 C ATOM 399 C ARG A 24 6.822 -4.234 11.920 1.00 32.13 C ATOM 400 O ARG A 24 7.758 -5.020 12.074 1.00 44.34 O ATOM 401 CB ARG A 24 4.888 -5.941 12.129 1.00 64.15 C ATOM 402 CG ARG A 24 5.665 -7.262 11.925 1.00 63.33 C ATOM 403 CD ARG A 24 5.015 -8.464 12.632 1.00 25.32 C ATOM 404 NE ARG A 24 5.759 -9.715 12.391 1.00 71.40 N ATOM 405 CZ ARG A 24 5.221 -10.947 12.366 1.00 31.03 C ATOM 406 NH1 ARG A 24 3.914 -11.129 12.558 1.00 13.32 N ATOM 407 NH2 ARG A 24 6.005 -11.995 12.143 1.00 31.21 N ATOM 0 H ARG A 24 5.915 -5.933 9.740 1.00 12.41 H new ATOM 0 HA ARG A 24 4.737 -3.903 11.533 1.00 33.12 H new ATOM 0 HB2 ARG A 24 4.863 -5.715 13.195 1.00 64.15 H new ATOM 0 HB3 ARG A 24 3.856 -6.094 11.812 1.00 64.15 H new ATOM 0 HG2 ARG A 24 5.737 -7.472 10.858 1.00 63.33 H new ATOM 0 HG3 ARG A 24 6.683 -7.138 12.295 1.00 63.33 H new ATOM 0 HD2 ARG A 24 4.967 -8.272 13.704 1.00 25.32 H new ATOM 0 HD3 ARG A 24 3.989 -8.579 12.282 1.00 25.32 H new ATOM 0 HE ARG A 24 6.763 -9.639 12.230 1.00 71.40 H new ATOM 0 HH11 ARG A 24 3.307 -10.327 12.727 1.00 13.32 H new ATOM 0 HH12 ARG A 24 3.521 -12.070 12.536 1.00 13.32 H new ATOM 0 HH21 ARG A 24 7.005 -11.861 11.993 1.00 31.21 H new ATOM 0 HH22 ARG A 24 5.607 -12.934 12.122 1.00 31.21 H new ATOM 421 N THR A 25 6.934 -2.925 12.156 1.00 25.11 N ATOM 422 CA THR A 25 8.186 -2.279 12.580 1.00 5.11 C ATOM 423 C THR A 25 7.876 -1.174 13.608 1.00 45.42 C ATOM 424 O THR A 25 6.845 -0.504 13.504 1.00 25.31 O ATOM 425 CB THR A 25 8.991 -1.724 11.344 1.00 2.34 C ATOM 426 OG1 THR A 25 10.163 -1.002 11.767 1.00 4.04 O ATOM 427 CG2 THR A 25 8.137 -0.830 10.433 1.00 24.21 C ATOM 0 H THR A 25 6.154 -2.275 12.058 1.00 25.11 H new ATOM 0 HA THR A 25 8.824 -3.022 13.058 1.00 5.11 H new ATOM 0 HB THR A 25 9.293 -2.597 10.765 1.00 2.34 H new ATOM 0 HG1 THR A 25 10.644 -0.670 10.981 1.00 4.04 H new ATOM 0 HG21 THR A 25 8.743 -0.476 9.599 1.00 24.21 H new ATOM 0 HG22 THR A 25 7.292 -1.402 10.051 1.00 24.21 H new ATOM 0 HG23 THR A 25 7.769 0.024 11.002 1.00 24.21 H new ATOM 435 N GLN A 26 8.744 -1.070 14.646 1.00 30.11 N ATOM 436 CA GLN A 26 8.588 -0.126 15.784 1.00 3.53 C ATOM 437 C GLN A 26 7.337 -0.448 16.646 1.00 71.44 C ATOM 438 O GLN A 26 6.887 0.381 17.446 1.00 11.43 O ATOM 439 CB GLN A 26 8.596 1.355 15.292 1.00 42.32 C ATOM 440 CG GLN A 26 9.912 1.805 14.610 1.00 70.20 C ATOM 441 CD GLN A 26 11.137 1.762 15.534 1.00 61.22 C ATOM 442 OE1 GLN A 26 11.032 1.953 16.749 1.00 73.45 O ATOM 443 NE2 GLN A 26 12.311 1.523 14.970 1.00 44.42 N ATOM 0 H GLN A 26 9.583 -1.646 14.718 1.00 30.11 H new ATOM 0 HA GLN A 26 9.451 -0.258 16.436 1.00 3.53 H new ATOM 0 HB2 GLN A 26 7.773 1.495 14.591 1.00 42.32 H new ATOM 0 HB3 GLN A 26 8.403 2.007 16.144 1.00 42.32 H new ATOM 0 HG2 GLN A 26 10.098 1.168 13.746 1.00 70.20 H new ATOM 0 HG3 GLN A 26 9.787 2.821 14.236 1.00 70.20 H new ATOM 0 HE21 GLN A 26 12.371 1.368 13.964 1.00 44.42 H new ATOM 0 HE22 GLN A 26 13.155 1.494 15.542 1.00 44.42 H new ATOM 452 N GLY A 27 6.802 -1.675 16.479 1.00 24.41 N ATOM 453 CA GLY A 27 5.665 -2.178 17.250 1.00 40.51 C ATOM 454 C GLY A 27 4.351 -2.043 16.504 1.00 3.43 C ATOM 455 O GLY A 27 3.345 -2.651 16.888 1.00 40.52 O ATOM 0 H GLY A 27 7.157 -2.345 15.796 1.00 24.41 H new ATOM 0 HA2 GLY A 27 5.833 -3.226 17.497 1.00 40.51 H new ATOM 0 HA3 GLY A 27 5.601 -1.635 18.193 1.00 40.51 H new ATOM 459 N LYS A 28 4.359 -1.241 15.428 1.00 13.44 N ATOM 460 CA LYS A 28 3.160 -0.918 14.642 1.00 51.32 C ATOM 461 C LYS A 28 3.199 -1.610 13.275 1.00 72.40 C ATOM 462 O LYS A 28 4.263 -2.036 12.822 1.00 42.34 O ATOM 463 CB LYS A 28 3.093 0.610 14.434 1.00 75.25 C ATOM 464 CG LYS A 28 3.185 1.429 15.728 1.00 40.11 C ATOM 465 CD LYS A 28 3.385 2.928 15.451 1.00 12.04 C ATOM 466 CE LYS A 28 3.326 3.779 16.726 1.00 74.14 C ATOM 467 NZ LYS A 28 2.049 3.589 17.466 1.00 64.44 N ATOM 0 H LYS A 28 5.206 -0.795 15.077 1.00 13.44 H new ATOM 0 HA LYS A 28 2.281 -1.269 15.184 1.00 51.32 H new ATOM 0 HB2 LYS A 28 3.903 0.910 13.770 1.00 75.25 H new ATOM 0 HB3 LYS A 28 2.159 0.855 13.928 1.00 75.25 H new ATOM 0 HG2 LYS A 28 2.276 1.287 16.312 1.00 40.11 H new ATOM 0 HG3 LYS A 28 4.013 1.059 16.333 1.00 40.11 H new ATOM 0 HD2 LYS A 28 4.348 3.078 14.963 1.00 12.04 H new ATOM 0 HD3 LYS A 28 2.619 3.270 14.755 1.00 12.04 H new ATOM 0 HE2 LYS A 28 4.163 3.519 17.374 1.00 74.14 H new ATOM 0 HE3 LYS A 28 3.440 4.831 16.465 1.00 74.14 H new ATOM 0 HZ1 LYS A 28 1.928 4.360 18.154 1.00 64.44 H new ATOM 0 HZ2 LYS A 28 1.255 3.596 16.795 1.00 64.44 H new ATOM 0 HZ3 LYS A 28 2.071 2.678 17.967 1.00 64.44 H new ATOM 481 N ILE A 29 2.032 -1.692 12.614 1.00 12.41 N ATOM 482 CA ILE A 29 1.929 -2.163 11.223 1.00 71.42 C ATOM 483 C ILE A 29 2.010 -0.940 10.263 1.00 71.55 C ATOM 484 O ILE A 29 1.420 0.117 10.530 1.00 42.12 O ATOM 485 CB ILE A 29 0.607 -3.009 11.000 1.00 31.41 C ATOM 486 CG1 ILE A 29 0.569 -3.670 9.579 1.00 41.32 C ATOM 487 CG2 ILE A 29 -0.671 -2.178 11.269 1.00 40.12 C ATOM 488 CD1 ILE A 29 1.682 -4.683 9.325 1.00 32.35 C ATOM 0 H ILE A 29 1.136 -1.434 13.028 1.00 12.41 H new ATOM 0 HA ILE A 29 2.761 -2.832 11.004 1.00 71.42 H new ATOM 0 HB ILE A 29 0.627 -3.814 11.735 1.00 31.41 H new ATOM 0 HG12 ILE A 29 -0.393 -4.165 9.448 1.00 41.32 H new ATOM 0 HG13 ILE A 29 0.629 -2.885 8.825 1.00 41.32 H new ATOM 0 HG21 ILE A 29 -1.551 -2.800 11.103 1.00 40.12 H new ATOM 0 HG22 ILE A 29 -0.665 -1.825 12.300 1.00 40.12 H new ATOM 0 HG23 ILE A 29 -0.698 -1.323 10.593 1.00 40.12 H new ATOM 0 HD11 ILE A 29 1.580 -5.091 8.319 1.00 32.35 H new ATOM 0 HD12 ILE A 29 2.650 -4.192 9.421 1.00 32.35 H new ATOM 0 HD13 ILE A 29 1.612 -5.491 10.053 1.00 32.35 H new ATOM 500 N PHE A 30 2.800 -1.086 9.189 1.00 10.03 N ATOM 501 CA PHE A 30 3.023 -0.041 8.163 1.00 33.11 C ATOM 502 C PHE A 30 2.815 -0.657 6.779 1.00 21.44 C ATOM 503 O PHE A 30 3.137 -1.827 6.572 1.00 70.34 O ATOM 504 CB PHE A 30 4.470 0.539 8.251 1.00 33.13 C ATOM 505 CG PHE A 30 4.748 1.415 9.481 1.00 10.34 C ATOM 506 CD1 PHE A 30 5.027 0.848 10.723 1.00 64.45 C ATOM 507 CD2 PHE A 30 4.730 2.809 9.390 1.00 3.14 C ATOM 508 CE1 PHE A 30 5.283 1.642 11.829 1.00 1.24 C ATOM 509 CE2 PHE A 30 4.985 3.600 10.501 1.00 24.11 C ATOM 510 CZ PHE A 30 5.259 3.016 11.720 1.00 23.50 C ATOM 0 H PHE A 30 3.314 -1.947 9.000 1.00 10.03 H new ATOM 0 HA PHE A 30 2.317 0.771 8.335 1.00 33.11 H new ATOM 0 HB2 PHE A 30 5.178 -0.290 8.248 1.00 33.13 H new ATOM 0 HB3 PHE A 30 4.664 1.127 7.354 1.00 33.13 H new ATOM 0 HD1 PHE A 30 5.044 -0.227 10.825 1.00 64.45 H new ATOM 0 HD2 PHE A 30 4.514 3.278 8.441 1.00 3.14 H new ATOM 0 HE1 PHE A 30 5.502 1.182 12.781 1.00 1.24 H new ATOM 0 HE2 PHE A 30 4.969 4.676 10.411 1.00 24.11 H new ATOM 0 HZ PHE A 30 5.454 3.632 12.585 1.00 23.50 H new ATOM 520 N LEU A 31 2.287 0.134 5.836 1.00 72.45 N ATOM 521 CA LEU A 31 2.143 -0.306 4.434 1.00 40.52 C ATOM 522 C LEU A 31 3.196 0.417 3.569 1.00 74.40 C ATOM 523 O LEU A 31 3.005 1.558 3.172 1.00 32.51 O ATOM 524 CB LEU A 31 0.701 -0.022 3.909 1.00 74.11 C ATOM 525 CG LEU A 31 0.398 -0.567 2.477 1.00 73.51 C ATOM 526 CD1 LEU A 31 0.558 -2.096 2.425 1.00 54.54 C ATOM 527 CD2 LEU A 31 -1.001 -0.127 1.988 1.00 54.42 C ATOM 0 H LEU A 31 1.952 1.081 6.014 1.00 72.45 H new ATOM 0 HA LEU A 31 2.306 -1.382 4.375 1.00 40.52 H new ATOM 0 HB2 LEU A 31 -0.015 -0.458 4.606 1.00 74.11 H new ATOM 0 HB3 LEU A 31 0.535 1.055 3.914 1.00 74.11 H new ATOM 0 HG LEU A 31 1.129 -0.133 1.795 1.00 73.51 H new ATOM 0 HD11 LEU A 31 0.341 -2.450 1.417 1.00 54.54 H new ATOM 0 HD12 LEU A 31 1.580 -2.364 2.692 1.00 54.54 H new ATOM 0 HD13 LEU A 31 -0.134 -2.558 3.129 1.00 54.54 H new ATOM 0 HD21 LEU A 31 -1.178 -0.524 0.988 1.00 54.42 H new ATOM 0 HD22 LEU A 31 -1.761 -0.508 2.670 1.00 54.42 H new ATOM 0 HD23 LEU A 31 -1.051 0.961 1.960 1.00 54.42 H new ATOM 539 N GLN A 32 4.318 -0.255 3.300 1.00 30.43 N ATOM 540 CA GLN A 32 5.419 0.331 2.516 1.00 45.31 C ATOM 541 C GLN A 32 5.204 0.084 1.011 1.00 53.12 C ATOM 542 O GLN A 32 5.291 -1.056 0.535 1.00 22.13 O ATOM 543 CB GLN A 32 6.784 -0.245 2.990 1.00 21.24 C ATOM 544 CG GLN A 32 7.072 0.002 4.489 1.00 71.22 C ATOM 545 CD GLN A 32 8.534 -0.219 4.895 1.00 3.42 C ATOM 546 OE1 GLN A 32 9.240 -1.052 4.324 1.00 62.31 O ATOM 547 NE2 GLN A 32 8.997 0.525 5.892 1.00 3.55 N ATOM 0 H GLN A 32 4.493 -1.210 3.613 1.00 30.43 H new ATOM 0 HA GLN A 32 5.430 1.409 2.679 1.00 45.31 H new ATOM 0 HB2 GLN A 32 6.803 -1.318 2.797 1.00 21.24 H new ATOM 0 HB3 GLN A 32 7.583 0.200 2.397 1.00 21.24 H new ATOM 0 HG2 GLN A 32 6.789 1.025 4.738 1.00 71.22 H new ATOM 0 HG3 GLN A 32 6.439 -0.658 5.082 1.00 71.22 H new ATOM 0 HE21 GLN A 32 8.388 1.206 6.345 1.00 3.55 H new ATOM 0 HE22 GLN A 32 9.962 0.415 6.205 1.00 3.55 H new ATOM 556 N VAL A 33 4.888 1.173 0.289 1.00 63.11 N ATOM 557 CA VAL A 33 4.780 1.177 -1.174 1.00 70.01 C ATOM 558 C VAL A 33 6.180 0.988 -1.784 1.00 43.41 C ATOM 559 O VAL A 33 7.032 1.884 -1.688 1.00 60.03 O ATOM 560 CB VAL A 33 4.149 2.524 -1.709 1.00 21.21 C ATOM 561 CG1 VAL A 33 3.965 2.498 -3.241 1.00 40.02 C ATOM 562 CG2 VAL A 33 2.817 2.842 -0.996 1.00 31.23 C ATOM 0 H VAL A 33 4.699 2.082 0.712 1.00 63.11 H new ATOM 0 HA VAL A 33 4.122 0.359 -1.469 1.00 70.01 H new ATOM 0 HB VAL A 33 4.852 3.324 -1.477 1.00 21.21 H new ATOM 0 HG11 VAL A 33 3.529 3.441 -3.571 1.00 40.02 H new ATOM 0 HG12 VAL A 33 4.933 2.358 -3.721 1.00 40.02 H new ATOM 0 HG13 VAL A 33 3.303 1.677 -3.514 1.00 40.02 H new ATOM 0 HG21 VAL A 33 2.409 3.774 -1.386 1.00 31.23 H new ATOM 0 HG22 VAL A 33 2.108 2.033 -1.172 1.00 31.23 H new ATOM 0 HG23 VAL A 33 2.993 2.943 0.075 1.00 31.23 H new ATOM 572 N MET A 34 6.421 -0.199 -2.349 1.00 54.34 N ATOM 573 CA MET A 34 7.676 -0.527 -3.043 1.00 30.03 C ATOM 574 C MET A 34 7.837 0.298 -4.334 1.00 20.13 C ATOM 575 O MET A 34 6.857 0.742 -4.938 1.00 33.14 O ATOM 576 CB MET A 34 7.720 -2.047 -3.385 1.00 20.12 C ATOM 577 CG MET A 34 7.683 -3.015 -2.184 1.00 11.15 C ATOM 578 SD MET A 34 9.189 -2.979 -1.171 1.00 32.42 S ATOM 579 CE MET A 34 8.823 -1.738 0.075 1.00 52.21 C ATOM 0 H MET A 34 5.748 -0.966 -2.339 1.00 54.34 H new ATOM 0 HA MET A 34 8.500 -0.279 -2.373 1.00 30.03 H new ATOM 0 HB2 MET A 34 6.877 -2.276 -4.037 1.00 20.12 H new ATOM 0 HB3 MET A 34 8.627 -2.244 -3.956 1.00 20.12 H new ATOM 0 HG2 MET A 34 6.827 -2.768 -1.556 1.00 11.15 H new ATOM 0 HG3 MET A 34 7.527 -4.029 -2.551 1.00 11.15 H new ATOM 0 HE1 MET A 34 9.739 -1.214 0.347 1.00 52.21 H new ATOM 0 HE2 MET A 34 8.102 -1.024 -0.323 1.00 52.21 H new ATOM 0 HE3 MET A 34 8.405 -2.221 0.958 1.00 52.21 H new ATOM 589 N TRP A 35 9.102 0.461 -4.742 1.00 44.44 N ATOM 590 CA TRP A 35 9.504 1.047 -6.039 1.00 72.04 C ATOM 591 C TRP A 35 9.176 0.105 -7.213 1.00 65.32 C ATOM 592 O TRP A 35 9.308 0.484 -8.373 1.00 50.24 O ATOM 593 CB TRP A 35 11.021 1.367 -6.006 1.00 64.10 C ATOM 594 CG TRP A 35 11.903 0.214 -5.551 1.00 74.03 C ATOM 595 CD1 TRP A 35 12.509 -0.736 -6.332 1.00 24.53 C ATOM 596 CD2 TRP A 35 12.255 -0.107 -4.192 1.00 23.11 C ATOM 597 NE1 TRP A 35 13.216 -1.610 -5.539 1.00 5.00 N ATOM 598 CE2 TRP A 35 13.076 -1.245 -4.229 1.00 0.05 C ATOM 599 CE3 TRP A 35 11.956 0.466 -2.949 1.00 64.51 C ATOM 600 CZ2 TRP A 35 13.597 -1.825 -3.076 1.00 45.44 C ATOM 601 CZ3 TRP A 35 12.468 -0.110 -1.807 1.00 61.51 C ATOM 602 CH2 TRP A 35 13.284 -1.244 -1.876 1.00 2.33 C ATOM 0 H TRP A 35 9.899 0.184 -4.169 1.00 44.44 H new ATOM 0 HA TRP A 35 8.938 1.966 -6.195 1.00 72.04 H new ATOM 0 HB2 TRP A 35 11.335 1.676 -7.003 1.00 64.10 H new ATOM 0 HB3 TRP A 35 11.185 2.216 -5.343 1.00 64.10 H new ATOM 0 HD1 TRP A 35 12.441 -0.790 -7.409 1.00 24.53 H new ATOM 0 HE1 TRP A 35 13.759 -2.405 -5.875 1.00 5.00 H new ATOM 0 HE3 TRP A 35 11.333 1.346 -2.887 1.00 64.51 H new ATOM 0 HZ2 TRP A 35 14.226 -2.702 -3.126 1.00 45.44 H new ATOM 0 HZ3 TRP A 35 12.236 0.320 -0.844 1.00 61.51 H new ATOM 0 HH2 TRP A 35 13.675 -1.670 -0.964 1.00 2.33 H new ATOM 613 N LYS A 36 8.786 -1.128 -6.881 1.00 72.30 N ATOM 614 CA LYS A 36 8.386 -2.150 -7.847 1.00 34.45 C ATOM 615 C LYS A 36 6.973 -1.839 -8.371 1.00 13.24 C ATOM 616 O LYS A 36 6.062 -1.624 -7.576 1.00 51.14 O ATOM 617 CB LYS A 36 8.417 -3.534 -7.142 1.00 5.41 C ATOM 618 CG LYS A 36 9.763 -3.835 -6.434 1.00 11.45 C ATOM 619 CD LYS A 36 9.690 -5.060 -5.494 1.00 24.01 C ATOM 620 CE LYS A 36 10.997 -5.271 -4.704 1.00 13.14 C ATOM 621 NZ LYS A 36 10.890 -6.422 -3.757 1.00 74.02 N ATOM 0 H LYS A 36 8.739 -1.449 -5.914 1.00 72.30 H new ATOM 0 HA LYS A 36 9.071 -2.161 -8.695 1.00 34.45 H new ATOM 0 HB2 LYS A 36 7.612 -3.578 -6.409 1.00 5.41 H new ATOM 0 HB3 LYS A 36 8.220 -4.313 -7.879 1.00 5.41 H new ATOM 0 HG2 LYS A 36 10.533 -4.007 -7.187 1.00 11.45 H new ATOM 0 HG3 LYS A 36 10.068 -2.961 -5.859 1.00 11.45 H new ATOM 0 HD2 LYS A 36 8.863 -4.930 -4.796 1.00 24.01 H new ATOM 0 HD3 LYS A 36 9.475 -5.953 -6.081 1.00 24.01 H new ATOM 0 HE2 LYS A 36 11.818 -5.447 -5.399 1.00 13.14 H new ATOM 0 HE3 LYS A 36 11.237 -4.364 -4.149 1.00 13.14 H new ATOM 0 HZ1 LYS A 36 11.787 -6.534 -3.243 1.00 74.02 H new ATOM 0 HZ2 LYS A 36 10.123 -6.243 -3.078 1.00 74.02 H new ATOM 0 HZ3 LYS A 36 10.685 -7.292 -4.289 1.00 74.02 H new ATOM 635 N TYR A 37 6.809 -1.810 -9.702 1.00 62.55 N ATOM 636 CA TYR A 37 5.507 -1.579 -10.366 1.00 72.22 C ATOM 637 C TYR A 37 5.348 -2.534 -11.564 1.00 13.43 C ATOM 638 O TYR A 37 6.348 -2.957 -12.164 1.00 63.24 O ATOM 639 CB TYR A 37 5.320 -0.086 -10.788 1.00 35.01 C ATOM 640 CG TYR A 37 6.505 0.538 -11.529 1.00 41.00 C ATOM 641 CD1 TYR A 37 7.574 1.105 -10.837 1.00 70.42 C ATOM 642 CD2 TYR A 37 6.541 0.590 -12.908 1.00 61.51 C ATOM 643 CE1 TYR A 37 8.637 1.681 -11.500 1.00 60.41 C ATOM 644 CE2 TYR A 37 7.600 1.160 -13.577 1.00 52.04 C ATOM 645 CZ TYR A 37 8.640 1.713 -12.869 1.00 35.33 C ATOM 646 OH TYR A 37 9.696 2.282 -13.538 1.00 22.21 O ATOM 0 H TYR A 37 7.579 -1.947 -10.357 1.00 62.55 H new ATOM 0 HA TYR A 37 4.717 -1.794 -9.646 1.00 72.22 H new ATOM 0 HB2 TYR A 37 4.437 -0.013 -11.423 1.00 35.01 H new ATOM 0 HB3 TYR A 37 5.120 0.505 -9.894 1.00 35.01 H new ATOM 0 HD1 TYR A 37 7.570 1.093 -9.757 1.00 70.42 H new ATOM 0 HD2 TYR A 37 5.720 0.174 -13.474 1.00 61.51 H new ATOM 0 HE1 TYR A 37 9.461 2.104 -10.944 1.00 60.41 H new ATOM 0 HE2 TYR A 37 7.614 1.173 -14.657 1.00 52.04 H new ATOM 0 HH TYR A 37 9.966 1.700 -14.279 1.00 22.21 H new ATOM 656 N LEU A 38 4.077 -2.844 -11.904 1.00 71.11 N ATOM 657 CA LEU A 38 3.719 -3.921 -12.867 1.00 0.53 C ATOM 658 C LEU A 38 4.209 -3.622 -14.310 1.00 73.54 C ATOM 659 O LEU A 38 4.308 -4.536 -15.138 1.00 72.55 O ATOM 660 CB LEU A 38 2.176 -4.164 -12.847 1.00 34.10 C ATOM 661 CG LEU A 38 1.666 -5.398 -13.666 1.00 23.03 C ATOM 662 CD1 LEU A 38 2.165 -6.731 -13.061 1.00 13.04 C ATOM 663 CD2 LEU A 38 0.131 -5.378 -13.815 1.00 11.13 C ATOM 0 H LEU A 38 3.267 -2.357 -11.521 1.00 71.11 H new ATOM 0 HA LEU A 38 4.233 -4.827 -12.546 1.00 0.53 H new ATOM 0 HB2 LEU A 38 1.860 -4.285 -11.811 1.00 34.10 H new ATOM 0 HB3 LEU A 38 1.682 -3.270 -13.228 1.00 34.10 H new ATOM 0 HG LEU A 38 2.091 -5.323 -14.667 1.00 23.03 H new ATOM 0 HD11 LEU A 38 1.791 -7.564 -13.657 1.00 13.04 H new ATOM 0 HD12 LEU A 38 3.255 -6.745 -13.062 1.00 13.04 H new ATOM 0 HD13 LEU A 38 1.802 -6.825 -12.038 1.00 13.04 H new ATOM 0 HD21 LEU A 38 -0.190 -6.248 -14.388 1.00 11.13 H new ATOM 0 HD22 LEU A 38 -0.331 -5.403 -12.828 1.00 11.13 H new ATOM 0 HD23 LEU A 38 -0.172 -4.469 -14.334 1.00 11.13 H new ATOM 675 N GLU A 39 4.536 -2.343 -14.590 1.00 12.31 N ATOM 676 CA GLU A 39 5.028 -1.895 -15.917 1.00 61.12 C ATOM 677 C GLU A 39 6.381 -2.548 -16.268 1.00 75.33 C ATOM 678 O GLU A 39 6.696 -2.752 -17.448 1.00 4.24 O ATOM 679 CB GLU A 39 5.153 -0.349 -15.955 1.00 33.32 C ATOM 680 CG GLU A 39 3.878 0.423 -15.530 1.00 54.50 C ATOM 681 CD GLU A 39 2.736 0.318 -16.549 1.00 73.31 C ATOM 682 OE1 GLU A 39 2.001 -0.689 -16.539 1.00 14.34 O ATOM 683 OE2 GLU A 39 2.585 1.233 -17.388 1.00 23.33 O ATOM 0 H GLU A 39 4.468 -1.590 -13.906 1.00 12.31 H new ATOM 0 HA GLU A 39 4.300 -2.211 -16.664 1.00 61.12 H new ATOM 0 HB2 GLU A 39 5.974 -0.050 -15.304 1.00 33.32 H new ATOM 0 HB3 GLU A 39 5.422 -0.046 -16.967 1.00 33.32 H new ATOM 0 HG2 GLU A 39 3.534 0.041 -14.569 1.00 54.50 H new ATOM 0 HG3 GLU A 39 4.130 1.473 -15.384 1.00 54.50 H new ATOM 690 N GLN A 40 7.169 -2.869 -15.230 1.00 43.53 N ATOM 691 CA GLN A 40 8.461 -3.558 -15.386 1.00 2.13 C ATOM 692 C GLN A 40 8.242 -5.085 -15.476 1.00 33.10 C ATOM 693 O GLN A 40 7.431 -5.649 -14.732 1.00 24.31 O ATOM 694 CB GLN A 40 9.404 -3.221 -14.197 1.00 52.11 C ATOM 695 CG GLN A 40 9.702 -1.720 -14.025 1.00 62.41 C ATOM 696 CD GLN A 40 10.328 -1.043 -15.255 1.00 51.14 C ATOM 697 OE1 GLN A 40 10.060 0.126 -15.534 1.00 34.42 O ATOM 698 NE2 GLN A 40 11.203 -1.738 -15.973 1.00 63.40 N ATOM 0 H GLN A 40 6.930 -2.659 -14.261 1.00 43.53 H new ATOM 0 HA GLN A 40 8.929 -3.214 -16.308 1.00 2.13 H new ATOM 0 HB2 GLN A 40 8.957 -3.598 -13.277 1.00 52.11 H new ATOM 0 HB3 GLN A 40 10.346 -3.752 -14.335 1.00 52.11 H new ATOM 0 HG2 GLN A 40 8.774 -1.205 -13.778 1.00 62.41 H new ATOM 0 HG3 GLN A 40 10.373 -1.592 -13.176 1.00 62.41 H new ATOM 0 HE21 GLN A 40 11.412 -2.705 -15.726 1.00 63.40 H new ATOM 0 HE22 GLN A 40 11.666 -1.304 -16.772 1.00 63.40 H new ATOM 707 N ALA A 41 9.006 -5.736 -16.375 1.00 61.51 N ATOM 708 CA ALA A 41 8.927 -7.194 -16.630 1.00 75.02 C ATOM 709 C ALA A 41 9.786 -7.999 -15.628 1.00 31.11 C ATOM 710 O ALA A 41 9.890 -9.223 -15.739 1.00 64.21 O ATOM 711 CB ALA A 41 9.326 -7.499 -18.092 1.00 31.15 C ATOM 0 H ALA A 41 9.702 -5.263 -16.951 1.00 61.51 H new ATOM 0 HA ALA A 41 7.895 -7.510 -16.480 1.00 75.02 H new ATOM 0 HB1 ALA A 41 9.265 -8.573 -18.269 1.00 31.15 H new ATOM 0 HB2 ALA A 41 8.648 -6.980 -18.770 1.00 31.15 H new ATOM 0 HB3 ALA A 41 10.347 -7.160 -18.269 1.00 31.15 H new ATOM 717 N SER A 42 10.400 -7.306 -14.655 1.00 33.20 N ATOM 718 CA SER A 42 11.146 -7.938 -13.548 1.00 24.21 C ATOM 719 C SER A 42 10.321 -7.934 -12.243 1.00 22.03 C ATOM 720 O SER A 42 10.871 -8.144 -11.153 1.00 2.55 O ATOM 721 CB SER A 42 12.487 -7.196 -13.361 1.00 53.51 C ATOM 722 OG SER A 42 13.255 -7.212 -14.562 1.00 22.31 O ATOM 0 H SER A 42 10.394 -6.287 -14.612 1.00 33.20 H new ATOM 0 HA SER A 42 11.342 -8.981 -13.796 1.00 24.21 H new ATOM 0 HB2 SER A 42 12.297 -6.165 -13.061 1.00 53.51 H new ATOM 0 HB3 SER A 42 13.055 -7.663 -12.556 1.00 53.51 H new ATOM 0 HG SER A 42 14.098 -6.734 -14.417 1.00 22.31 H new ATOM 728 N PHE A 43 9.000 -7.719 -12.374 1.00 0.04 N ATOM 729 CA PHE A 43 8.066 -7.651 -11.242 1.00 10.31 C ATOM 730 C PHE A 43 7.935 -9.045 -10.549 1.00 75.11 C ATOM 731 O PHE A 43 7.801 -10.053 -11.246 1.00 5.10 O ATOM 732 CB PHE A 43 6.689 -7.136 -11.756 1.00 51.34 C ATOM 733 CG PHE A 43 5.735 -6.750 -10.643 1.00 61.21 C ATOM 734 CD1 PHE A 43 5.899 -5.547 -9.967 1.00 0.24 C ATOM 735 CD2 PHE A 43 4.714 -7.603 -10.237 1.00 24.23 C ATOM 736 CE1 PHE A 43 5.073 -5.206 -8.924 1.00 61.51 C ATOM 737 CE2 PHE A 43 3.885 -7.257 -9.196 1.00 72.33 C ATOM 738 CZ PHE A 43 4.070 -6.062 -8.539 1.00 1.41 C ATOM 0 H PHE A 43 8.549 -7.587 -13.279 1.00 0.04 H new ATOM 0 HA PHE A 43 8.445 -6.957 -10.492 1.00 10.31 H new ATOM 0 HB2 PHE A 43 6.851 -6.272 -12.401 1.00 51.34 H new ATOM 0 HB3 PHE A 43 6.226 -7.910 -12.369 1.00 51.34 H new ATOM 0 HD1 PHE A 43 6.687 -4.871 -10.266 1.00 0.24 H new ATOM 0 HD2 PHE A 43 4.571 -8.546 -10.744 1.00 24.23 H new ATOM 0 HE1 PHE A 43 5.212 -4.267 -8.408 1.00 61.51 H new ATOM 0 HE2 PHE A 43 3.090 -7.922 -8.894 1.00 72.33 H new ATOM 0 HZ PHE A 43 3.423 -5.796 -7.716 1.00 1.41 H new ATOM 748 N PRO A 44 7.992 -9.114 -9.168 1.00 74.12 N ATOM 749 CA PRO A 44 7.969 -10.399 -8.394 1.00 24.23 C ATOM 750 C PRO A 44 6.792 -11.345 -8.736 1.00 12.23 C ATOM 751 O PRO A 44 6.963 -12.570 -8.739 1.00 35.03 O ATOM 752 CB PRO A 44 7.906 -9.934 -6.907 1.00 25.43 C ATOM 753 CG PRO A 44 7.530 -8.481 -6.961 1.00 4.21 C ATOM 754 CD PRO A 44 8.132 -7.956 -8.238 1.00 70.03 C ATOM 0 HA PRO A 44 8.843 -11.004 -8.635 1.00 24.23 H new ATOM 0 HB2 PRO A 44 7.170 -10.510 -6.346 1.00 25.43 H new ATOM 0 HB3 PRO A 44 8.866 -10.073 -6.410 1.00 25.43 H new ATOM 0 HG2 PRO A 44 6.447 -8.356 -6.957 1.00 4.21 H new ATOM 0 HG3 PRO A 44 7.916 -7.943 -6.095 1.00 4.21 H new ATOM 0 HD2 PRO A 44 7.602 -7.077 -8.604 1.00 70.03 H new ATOM 0 HD3 PRO A 44 9.175 -7.667 -8.105 1.00 70.03 H new ATOM 762 N MET A 45 5.608 -10.776 -9.003 1.00 63.33 N ATOM 763 CA MET A 45 4.394 -11.556 -9.340 1.00 73.12 C ATOM 764 C MET A 45 3.979 -11.328 -10.803 1.00 61.35 C ATOM 765 O MET A 45 4.604 -10.553 -11.540 1.00 61.32 O ATOM 766 CB MET A 45 3.215 -11.194 -8.381 1.00 74.20 C ATOM 767 CG MET A 45 3.326 -11.784 -6.965 1.00 61.34 C ATOM 768 SD MET A 45 4.614 -11.010 -5.966 1.00 61.32 S ATOM 769 CE MET A 45 3.966 -9.345 -5.781 1.00 61.54 C ATOM 0 H MET A 45 5.458 -9.767 -8.993 1.00 63.33 H new ATOM 0 HA MET A 45 4.633 -12.612 -9.212 1.00 73.12 H new ATOM 0 HB2 MET A 45 3.150 -10.109 -8.302 1.00 74.20 H new ATOM 0 HB3 MET A 45 2.283 -11.537 -8.830 1.00 74.20 H new ATOM 0 HG2 MET A 45 2.368 -11.674 -6.457 1.00 61.34 H new ATOM 0 HG3 MET A 45 3.527 -12.853 -7.039 1.00 61.34 H new ATOM 0 HE1 MET A 45 4.440 -8.863 -4.926 1.00 61.54 H new ATOM 0 HE2 MET A 45 4.176 -8.771 -6.683 1.00 61.54 H new ATOM 0 HE3 MET A 45 2.889 -9.389 -5.622 1.00 61.54 H new ATOM 779 N ASN A 46 2.920 -12.052 -11.211 1.00 33.15 N ATOM 780 CA ASN A 46 2.267 -11.895 -12.523 1.00 60.44 C ATOM 781 C ASN A 46 1.238 -10.742 -12.465 1.00 0.23 C ATOM 782 O ASN A 46 1.126 -10.058 -11.444 1.00 25.13 O ATOM 783 CB ASN A 46 1.572 -13.230 -12.919 1.00 22.43 C ATOM 784 CG ASN A 46 2.541 -14.402 -13.118 1.00 24.10 C ATOM 785 OD1 ASN A 46 3.680 -14.222 -13.551 1.00 22.14 O ATOM 786 ND2 ASN A 46 2.092 -15.615 -12.813 1.00 43.34 N ATOM 0 H ASN A 46 2.489 -12.772 -10.631 1.00 33.15 H new ATOM 0 HA ASN A 46 3.016 -11.650 -13.276 1.00 60.44 H new ATOM 0 HB2 ASN A 46 0.851 -13.495 -12.146 1.00 22.43 H new ATOM 0 HB3 ASN A 46 1.010 -13.076 -13.840 1.00 22.43 H new ATOM 0 HD21 ASN A 46 2.696 -16.428 -12.936 1.00 43.34 H new ATOM 0 HD22 ASN A 46 1.144 -15.733 -12.456 1.00 43.34 H new ATOM 793 N GLU A 47 0.489 -10.545 -13.564 1.00 72.02 N ATOM 794 CA GLU A 47 -0.548 -9.501 -13.683 1.00 45.50 C ATOM 795 C GLU A 47 -1.700 -9.738 -12.675 1.00 61.02 C ATOM 796 O GLU A 47 -1.966 -8.888 -11.809 1.00 23.30 O ATOM 797 CB GLU A 47 -1.090 -9.489 -15.138 1.00 34.23 C ATOM 798 CG GLU A 47 -2.204 -8.466 -15.398 1.00 33.11 C ATOM 799 CD GLU A 47 -2.885 -8.659 -16.755 1.00 11.41 C ATOM 800 OE1 GLU A 47 -2.347 -8.188 -17.779 1.00 31.04 O ATOM 801 OE2 GLU A 47 -3.968 -9.288 -16.804 1.00 21.21 O ATOM 0 H GLU A 47 0.587 -11.113 -14.406 1.00 72.02 H new ATOM 0 HA GLU A 47 -0.105 -8.533 -13.449 1.00 45.50 H new ATOM 0 HB2 GLU A 47 -0.263 -9.286 -15.818 1.00 34.23 H new ATOM 0 HB3 GLU A 47 -1.465 -10.484 -15.380 1.00 34.23 H new ATOM 0 HG2 GLU A 47 -2.951 -8.542 -14.608 1.00 33.11 H new ATOM 0 HG3 GLU A 47 -1.786 -7.461 -15.346 1.00 33.11 H new ATOM 808 N THR A 48 -2.362 -10.911 -12.798 1.00 4.41 N ATOM 809 CA THR A 48 -3.514 -11.292 -11.946 1.00 23.41 C ATOM 810 C THR A 48 -3.065 -11.438 -10.478 1.00 4.52 C ATOM 811 O THR A 48 -3.735 -10.956 -9.562 1.00 62.12 O ATOM 812 CB THR A 48 -4.181 -12.631 -12.446 1.00 23.42 C ATOM 813 OG1 THR A 48 -4.476 -12.547 -13.858 1.00 33.22 O ATOM 814 CG2 THR A 48 -5.475 -12.964 -11.674 1.00 60.32 C ATOM 0 H THR A 48 -2.114 -11.619 -13.489 1.00 4.41 H new ATOM 0 HA THR A 48 -4.259 -10.499 -12.016 1.00 23.41 H new ATOM 0 HB THR A 48 -3.464 -13.431 -12.261 1.00 23.42 H new ATOM 0 HG1 THR A 48 -4.888 -13.385 -14.157 1.00 33.22 H new ATOM 0 HG21 THR A 48 -5.897 -13.894 -12.055 1.00 60.32 H new ATOM 0 HG22 THR A 48 -5.248 -13.076 -10.614 1.00 60.32 H new ATOM 0 HG23 THR A 48 -6.196 -12.158 -11.807 1.00 60.32 H new ATOM 822 N GLU A 49 -1.887 -12.067 -10.290 1.00 14.21 N ATOM 823 CA GLU A 49 -1.257 -12.247 -8.965 1.00 0.34 C ATOM 824 C GLU A 49 -1.027 -10.896 -8.252 1.00 42.25 C ATOM 825 O GLU A 49 -1.217 -10.792 -7.037 1.00 5.22 O ATOM 826 CB GLU A 49 0.091 -12.986 -9.121 1.00 73.34 C ATOM 827 CG GLU A 49 -0.023 -14.434 -9.629 1.00 35.10 C ATOM 828 CD GLU A 49 -0.588 -15.413 -8.587 1.00 73.11 C ATOM 829 OE1 GLU A 49 0.109 -15.684 -7.584 1.00 43.15 O ATOM 830 OE2 GLU A 49 -1.713 -15.929 -8.769 1.00 20.30 O ATOM 0 H GLU A 49 -1.344 -12.466 -11.055 1.00 14.21 H new ATOM 0 HA GLU A 49 -1.937 -12.839 -8.353 1.00 0.34 H new ATOM 0 HB2 GLU A 49 0.721 -12.423 -9.810 1.00 73.34 H new ATOM 0 HB3 GLU A 49 0.599 -12.993 -8.157 1.00 73.34 H new ATOM 0 HG2 GLU A 49 -0.661 -14.450 -10.513 1.00 35.10 H new ATOM 0 HG3 GLU A 49 0.963 -14.779 -9.941 1.00 35.10 H new ATOM 837 N TYR A 50 -0.610 -9.875 -9.031 1.00 4.31 N ATOM 838 CA TYR A 50 -0.400 -8.501 -8.528 1.00 31.32 C ATOM 839 C TYR A 50 -1.728 -7.860 -8.072 1.00 55.02 C ATOM 840 O TYR A 50 -1.789 -7.248 -6.998 1.00 72.31 O ATOM 841 CB TYR A 50 0.280 -7.610 -9.619 1.00 61.33 C ATOM 842 CG TYR A 50 0.154 -6.097 -9.377 1.00 14.42 C ATOM 843 CD1 TYR A 50 0.756 -5.485 -8.276 1.00 11.23 C ATOM 844 CD2 TYR A 50 -0.620 -5.294 -10.217 1.00 43.45 C ATOM 845 CE1 TYR A 50 0.584 -4.141 -8.025 1.00 44.15 C ATOM 846 CE2 TYR A 50 -0.776 -3.949 -9.971 1.00 10.45 C ATOM 847 CZ TYR A 50 -0.184 -3.381 -8.880 1.00 54.13 C ATOM 848 OH TYR A 50 -0.400 -2.044 -8.615 1.00 0.52 O ATOM 0 H TYR A 50 -0.410 -9.980 -10.026 1.00 4.31 H new ATOM 0 HA TYR A 50 0.261 -8.566 -7.664 1.00 31.32 H new ATOM 0 HB2 TYR A 50 1.337 -7.869 -9.674 1.00 61.33 H new ATOM 0 HB3 TYR A 50 -0.158 -7.848 -10.589 1.00 61.33 H new ATOM 0 HD1 TYR A 50 1.367 -6.075 -7.609 1.00 11.23 H new ATOM 0 HD2 TYR A 50 -1.105 -5.736 -11.075 1.00 43.45 H new ATOM 0 HE1 TYR A 50 1.049 -3.686 -7.163 1.00 44.15 H new ATOM 0 HE2 TYR A 50 -1.367 -3.343 -10.641 1.00 10.45 H new ATOM 0 HH TYR A 50 0.227 -1.742 -7.925 1.00 0.52 H new ATOM 858 N GLN A 51 -2.771 -7.975 -8.909 1.00 63.21 N ATOM 859 CA GLN A 51 -4.068 -7.314 -8.649 1.00 40.30 C ATOM 860 C GLN A 51 -4.756 -7.922 -7.403 1.00 72.53 C ATOM 861 O GLN A 51 -5.386 -7.207 -6.609 1.00 61.03 O ATOM 862 CB GLN A 51 -4.981 -7.390 -9.904 1.00 72.11 C ATOM 863 CG GLN A 51 -6.276 -6.544 -9.808 1.00 13.01 C ATOM 864 CD GLN A 51 -6.032 -5.041 -9.556 1.00 40.02 C ATOM 865 OE1 GLN A 51 -5.022 -4.473 -9.964 1.00 71.11 O ATOM 866 NE2 GLN A 51 -6.961 -4.385 -8.886 1.00 60.22 N ATOM 0 H GLN A 51 -2.746 -8.518 -9.772 1.00 63.21 H new ATOM 0 HA GLN A 51 -3.884 -6.261 -8.437 1.00 40.30 H new ATOM 0 HB2 GLN A 51 -4.411 -7.061 -10.773 1.00 72.11 H new ATOM 0 HB3 GLN A 51 -5.254 -8.431 -10.077 1.00 72.11 H new ATOM 0 HG2 GLN A 51 -6.841 -6.659 -10.733 1.00 13.01 H new ATOM 0 HG3 GLN A 51 -6.897 -6.940 -9.004 1.00 13.01 H new ATOM 0 HE21 GLN A 51 -7.793 -4.874 -8.555 1.00 60.22 H new ATOM 0 HE22 GLN A 51 -6.847 -3.389 -8.699 1.00 60.22 H new ATOM 875 N GLU A 52 -4.578 -9.243 -7.230 1.00 34.33 N ATOM 876 CA GLU A 52 -5.082 -9.988 -6.063 1.00 32.20 C ATOM 877 C GLU A 52 -4.187 -9.758 -4.829 1.00 23.44 C ATOM 878 O GLU A 52 -4.643 -9.939 -3.701 1.00 43.14 O ATOM 879 CB GLU A 52 -5.172 -11.496 -6.387 1.00 42.24 C ATOM 880 CG GLU A 52 -6.128 -11.839 -7.545 1.00 52.11 C ATOM 881 CD GLU A 52 -6.222 -13.344 -7.802 1.00 53.03 C ATOM 882 OE1 GLU A 52 -5.293 -13.904 -8.420 1.00 54.14 O ATOM 883 OE2 GLU A 52 -7.213 -13.989 -7.371 1.00 54.13 O ATOM 0 H GLU A 52 -4.078 -9.827 -7.900 1.00 34.33 H new ATOM 0 HA GLU A 52 -6.080 -9.617 -5.831 1.00 32.20 H new ATOM 0 HB2 GLU A 52 -4.176 -11.863 -6.633 1.00 42.24 H new ATOM 0 HB3 GLU A 52 -5.496 -12.029 -5.493 1.00 42.24 H new ATOM 0 HG2 GLU A 52 -7.121 -11.450 -7.319 1.00 52.11 H new ATOM 0 HG3 GLU A 52 -5.788 -11.339 -8.452 1.00 52.11 H new ATOM 890 N HIS A 53 -2.910 -9.379 -5.061 1.00 33.01 N ATOM 891 CA HIS A 53 -1.994 -8.935 -3.985 1.00 13.13 C ATOM 892 C HIS A 53 -2.522 -7.624 -3.379 1.00 10.04 C ATOM 893 O HIS A 53 -2.576 -7.484 -2.156 1.00 42.23 O ATOM 894 CB HIS A 53 -0.536 -8.755 -4.513 1.00 13.23 C ATOM 895 CG HIS A 53 0.426 -8.135 -3.528 1.00 53.35 C ATOM 896 ND1 HIS A 53 1.236 -8.870 -2.702 1.00 3.44 N ATOM 897 CD2 HIS A 53 0.721 -6.836 -3.271 1.00 13.45 C ATOM 898 CE1 HIS A 53 1.981 -8.057 -1.980 1.00 24.42 C ATOM 899 NE2 HIS A 53 1.695 -6.819 -2.312 1.00 12.45 N ATOM 0 H HIS A 53 -2.488 -9.372 -5.990 1.00 33.01 H new ATOM 0 HA HIS A 53 -1.962 -9.704 -3.213 1.00 13.13 H new ATOM 0 HB2 HIS A 53 -0.150 -9.730 -4.811 1.00 13.23 H new ATOM 0 HB3 HIS A 53 -0.564 -8.136 -5.410 1.00 13.23 H new ATOM 0 HD2 HIS A 53 0.269 -5.974 -3.738 1.00 13.45 H new ATOM 0 HE1 HIS A 53 2.706 -8.359 -1.239 1.00 24.42 H new ATOM 0 HE2 HIS A 53 2.128 -5.983 -1.919 1.00 12.45 H new ATOM 908 N LEU A 54 -2.917 -6.681 -4.260 1.00 3.21 N ATOM 909 CA LEU A 54 -3.527 -5.400 -3.846 1.00 45.21 C ATOM 910 C LEU A 54 -4.830 -5.650 -3.084 1.00 50.14 C ATOM 911 O LEU A 54 -5.119 -4.972 -2.117 1.00 43.11 O ATOM 912 CB LEU A 54 -3.847 -4.499 -5.063 1.00 44.44 C ATOM 913 CG LEU A 54 -2.656 -4.036 -5.942 1.00 2.00 C ATOM 914 CD1 LEU A 54 -3.175 -3.187 -7.115 1.00 11.23 C ATOM 915 CD2 LEU A 54 -1.598 -3.270 -5.112 1.00 73.35 C ATOM 0 H LEU A 54 -2.823 -6.785 -5.270 1.00 3.21 H new ATOM 0 HA LEU A 54 -2.801 -4.897 -3.207 1.00 45.21 H new ATOM 0 HB2 LEU A 54 -4.549 -5.034 -5.702 1.00 44.44 H new ATOM 0 HB3 LEU A 54 -4.361 -3.610 -4.698 1.00 44.44 H new ATOM 0 HG LEU A 54 -2.159 -4.919 -6.344 1.00 2.00 H new ATOM 0 HD11 LEU A 54 -2.335 -2.864 -7.730 1.00 11.23 H new ATOM 0 HD12 LEU A 54 -3.860 -3.782 -7.720 1.00 11.23 H new ATOM 0 HD13 LEU A 54 -3.699 -2.313 -6.728 1.00 11.23 H new ATOM 0 HD21 LEU A 54 -0.779 -2.962 -5.762 1.00 73.35 H new ATOM 0 HD22 LEU A 54 -2.056 -2.389 -4.663 1.00 73.35 H new ATOM 0 HD23 LEU A 54 -1.213 -3.919 -4.326 1.00 73.35 H new ATOM 927 N ASP A 55 -5.600 -6.637 -3.570 1.00 41.34 N ATOM 928 CA ASP A 55 -6.909 -7.005 -2.999 1.00 34.22 C ATOM 929 C ASP A 55 -6.746 -7.678 -1.626 1.00 13.21 C ATOM 930 O ASP A 55 -7.592 -7.524 -0.743 1.00 42.32 O ATOM 931 CB ASP A 55 -7.666 -7.924 -3.994 1.00 53.33 C ATOM 932 CG ASP A 55 -9.120 -8.190 -3.577 1.00 12.24 C ATOM 933 OD1 ASP A 55 -9.972 -7.290 -3.761 1.00 63.34 O ATOM 934 OD2 ASP A 55 -9.428 -9.291 -3.072 1.00 72.21 O ATOM 0 H ASP A 55 -5.332 -7.205 -4.373 1.00 41.34 H new ATOM 0 HA ASP A 55 -7.496 -6.100 -2.842 1.00 34.22 H new ATOM 0 HB2 ASP A 55 -7.655 -7.466 -4.983 1.00 53.33 H new ATOM 0 HB3 ASP A 55 -7.138 -8.874 -4.077 1.00 53.33 H new ATOM 939 N SER A 56 -5.631 -8.412 -1.469 1.00 32.23 N ATOM 940 CA SER A 56 -5.279 -9.099 -0.214 1.00 0.33 C ATOM 941 C SER A 56 -4.828 -8.080 0.845 1.00 25.15 C ATOM 942 O SER A 56 -5.216 -8.170 2.016 1.00 13.13 O ATOM 943 CB SER A 56 -4.179 -10.160 -0.471 1.00 75.02 C ATOM 944 OG SER A 56 -4.048 -11.026 0.635 1.00 12.13 O ATOM 0 H SER A 56 -4.945 -8.546 -2.212 1.00 32.23 H new ATOM 0 HA SER A 56 -6.162 -9.613 0.166 1.00 0.33 H new ATOM 0 HB2 SER A 56 -4.425 -10.737 -1.363 1.00 75.02 H new ATOM 0 HB3 SER A 56 -3.228 -9.664 -0.665 1.00 75.02 H new ATOM 0 HG SER A 56 -3.350 -11.688 0.451 1.00 12.13 H new ATOM 950 N VAL A 57 -4.030 -7.095 0.395 1.00 31.41 N ATOM 951 CA VAL A 57 -3.597 -5.960 1.224 1.00 3.32 C ATOM 952 C VAL A 57 -4.818 -5.124 1.652 1.00 10.12 C ATOM 953 O VAL A 57 -5.016 -4.855 2.836 1.00 4.41 O ATOM 954 CB VAL A 57 -2.553 -5.055 0.451 1.00 71.53 C ATOM 955 CG1 VAL A 57 -2.339 -3.694 1.150 1.00 11.32 C ATOM 956 CG2 VAL A 57 -1.203 -5.795 0.265 1.00 64.21 C ATOM 0 H VAL A 57 -3.667 -7.066 -0.558 1.00 31.41 H new ATOM 0 HA VAL A 57 -3.106 -6.354 2.114 1.00 3.32 H new ATOM 0 HB VAL A 57 -2.973 -4.853 -0.534 1.00 71.53 H new ATOM 0 HG11 VAL A 57 -1.615 -3.105 0.586 1.00 11.32 H new ATOM 0 HG12 VAL A 57 -3.286 -3.156 1.197 1.00 11.32 H new ATOM 0 HG13 VAL A 57 -1.964 -3.859 2.160 1.00 11.32 H new ATOM 0 HG21 VAL A 57 -0.505 -5.150 -0.269 1.00 64.21 H new ATOM 0 HG22 VAL A 57 -0.789 -6.048 1.241 1.00 64.21 H new ATOM 0 HG23 VAL A 57 -1.364 -6.708 -0.308 1.00 64.21 H new ATOM 966 N ALA A 58 -5.654 -4.791 0.661 1.00 43.42 N ATOM 967 CA ALA A 58 -6.842 -3.936 0.829 1.00 13.41 C ATOM 968 C ALA A 58 -7.909 -4.596 1.730 1.00 33.11 C ATOM 969 O ALA A 58 -8.738 -3.903 2.349 1.00 63.51 O ATOM 970 CB ALA A 58 -7.410 -3.601 -0.552 1.00 55.24 C ATOM 0 H ALA A 58 -5.524 -5.112 -0.298 1.00 43.42 H new ATOM 0 HA ALA A 58 -6.544 -3.017 1.334 1.00 13.41 H new ATOM 0 HB1 ALA A 58 -8.290 -2.968 -0.440 1.00 55.24 H new ATOM 0 HB2 ALA A 58 -6.656 -3.074 -1.137 1.00 55.24 H new ATOM 0 HB3 ALA A 58 -7.688 -4.522 -1.064 1.00 55.24 H new ATOM 976 N ASN A 59 -7.864 -5.942 1.779 1.00 62.04 N ATOM 977 CA ASN A 59 -8.664 -6.762 2.706 1.00 40.11 C ATOM 978 C ASN A 59 -8.274 -6.443 4.162 1.00 73.00 C ATOM 979 O ASN A 59 -9.137 -6.156 4.991 1.00 25.01 O ATOM 980 CB ASN A 59 -8.455 -8.273 2.387 1.00 11.11 C ATOM 981 CG ASN A 59 -9.232 -9.225 3.302 1.00 31.30 C ATOM 982 OD1 ASN A 59 -10.329 -8.914 3.767 1.00 51.22 O ATOM 983 ND2 ASN A 59 -8.664 -10.394 3.568 1.00 1.14 N ATOM 0 H ASN A 59 -7.263 -6.496 1.168 1.00 62.04 H new ATOM 0 HA ASN A 59 -9.721 -6.528 2.580 1.00 40.11 H new ATOM 0 HB2 ASN A 59 -8.751 -8.458 1.354 1.00 11.11 H new ATOM 0 HB3 ASN A 59 -7.392 -8.504 2.461 1.00 11.11 H new ATOM 0 HD21 ASN A 59 -9.137 -11.065 4.173 1.00 1.14 H new ATOM 0 HD22 ASN A 59 -7.754 -10.622 3.167 1.00 1.14 H new ATOM 990 N TYR A 60 -6.957 -6.452 4.443 1.00 31.53 N ATOM 991 CA TYR A 60 -6.425 -6.141 5.792 1.00 24.50 C ATOM 992 C TYR A 60 -6.538 -4.643 6.125 1.00 10.53 C ATOM 993 O TYR A 60 -6.602 -4.278 7.298 1.00 33.51 O ATOM 994 CB TYR A 60 -4.953 -6.591 5.932 1.00 30.21 C ATOM 995 CG TYR A 60 -4.748 -8.107 5.947 1.00 45.23 C ATOM 996 CD1 TYR A 60 -5.060 -8.849 7.082 1.00 32.52 C ATOM 997 CD2 TYR A 60 -4.238 -8.788 4.843 1.00 23.41 C ATOM 998 CE1 TYR A 60 -4.872 -10.212 7.117 1.00 40.05 C ATOM 999 CE2 TYR A 60 -4.050 -10.158 4.872 1.00 32.44 C ATOM 1000 CZ TYR A 60 -4.367 -10.864 6.013 1.00 23.44 C ATOM 1001 OH TYR A 60 -4.179 -12.229 6.051 1.00 0.22 O ATOM 0 H TYR A 60 -6.237 -6.671 3.755 1.00 31.53 H new ATOM 0 HA TYR A 60 -7.037 -6.697 6.501 1.00 24.50 H new ATOM 0 HB2 TYR A 60 -4.378 -6.168 5.108 1.00 30.21 H new ATOM 0 HB3 TYR A 60 -4.545 -6.174 6.853 1.00 30.21 H new ATOM 0 HD1 TYR A 60 -5.457 -8.346 7.951 1.00 32.52 H new ATOM 0 HD2 TYR A 60 -3.985 -8.236 3.950 1.00 23.41 H new ATOM 0 HE1 TYR A 60 -5.120 -10.770 8.008 1.00 40.05 H new ATOM 0 HE2 TYR A 60 -3.657 -10.671 4.007 1.00 32.44 H new ATOM 0 HH TYR A 60 -3.818 -12.533 5.192 1.00 0.22 H new ATOM 1011 N LEU A 61 -6.548 -3.789 5.089 1.00 51.12 N ATOM 1012 CA LEU A 61 -6.749 -2.335 5.261 1.00 10.34 C ATOM 1013 C LEU A 61 -8.154 -2.059 5.823 1.00 62.03 C ATOM 1014 O LEU A 61 -8.327 -1.207 6.703 1.00 54.13 O ATOM 1015 CB LEU A 61 -6.521 -1.573 3.922 1.00 34.41 C ATOM 1016 CG LEU A 61 -5.071 -1.623 3.345 1.00 14.44 C ATOM 1017 CD1 LEU A 61 -4.941 -0.775 2.057 1.00 73.33 C ATOM 1018 CD2 LEU A 61 -4.032 -1.206 4.408 1.00 33.22 C ATOM 0 H LEU A 61 -6.419 -4.078 4.119 1.00 51.12 H new ATOM 0 HA LEU A 61 -6.012 -1.967 5.975 1.00 10.34 H new ATOM 0 HB2 LEU A 61 -7.202 -1.980 3.175 1.00 34.41 H new ATOM 0 HB3 LEU A 61 -6.796 -0.529 4.070 1.00 34.41 H new ATOM 0 HG LEU A 61 -4.862 -2.657 3.070 1.00 14.44 H new ATOM 0 HD11 LEU A 61 -3.918 -0.834 1.684 1.00 73.33 H new ATOM 0 HD12 LEU A 61 -5.626 -1.156 1.300 1.00 73.33 H new ATOM 0 HD13 LEU A 61 -5.187 0.263 2.279 1.00 73.33 H new ATOM 0 HD21 LEU A 61 -3.032 -1.251 3.977 1.00 33.22 H new ATOM 0 HD22 LEU A 61 -4.239 -0.188 4.740 1.00 33.22 H new ATOM 0 HD23 LEU A 61 -4.090 -1.884 5.260 1.00 33.22 H new ATOM 1030 N HIS A 62 -9.143 -2.815 5.319 1.00 31.11 N ATOM 1031 CA HIS A 62 -10.519 -2.763 5.829 1.00 5.14 C ATOM 1032 C HIS A 62 -10.576 -3.365 7.248 1.00 43.03 C ATOM 1033 O HIS A 62 -11.073 -2.726 8.179 1.00 11.55 O ATOM 1034 CB HIS A 62 -11.485 -3.514 4.877 1.00 71.32 C ATOM 1035 CG HIS A 62 -12.935 -3.474 5.308 1.00 13.01 C ATOM 1036 ND1 HIS A 62 -13.558 -4.517 5.962 1.00 25.11 N ATOM 1037 CD2 HIS A 62 -13.871 -2.495 5.201 1.00 23.34 C ATOM 1038 CE1 HIS A 62 -14.809 -4.191 6.219 1.00 12.53 C ATOM 1039 NE2 HIS A 62 -15.021 -2.973 5.773 1.00 73.00 N ATOM 0 H HIS A 62 -9.011 -3.474 4.552 1.00 31.11 H new ATOM 0 HA HIS A 62 -10.836 -1.721 5.876 1.00 5.14 H new ATOM 0 HB2 HIS A 62 -11.402 -3.083 3.879 1.00 71.32 H new ATOM 0 HB3 HIS A 62 -11.168 -4.554 4.802 1.00 71.32 H new ATOM 0 HD2 HIS A 62 -13.734 -1.523 4.750 1.00 23.34 H new ATOM 0 HE1 HIS A 62 -15.537 -4.818 6.712 1.00 12.53 H new ATOM 0 HE2 HIS A 62 -15.902 -2.464 5.842 1.00 73.00 H new ATOM 1048 N ALA A 63 -9.998 -4.571 7.389 1.00 20.11 N ATOM 1049 CA ALA A 63 -10.068 -5.398 8.615 1.00 73.11 C ATOM 1050 C ALA A 63 -9.518 -4.677 9.862 1.00 43.12 C ATOM 1051 O ALA A 63 -10.179 -4.624 10.906 1.00 2.34 O ATOM 1052 CB ALA A 63 -9.306 -6.714 8.383 1.00 12.42 C ATOM 0 H ALA A 63 -9.458 -5.010 6.643 1.00 20.11 H new ATOM 0 HA ALA A 63 -11.121 -5.598 8.814 1.00 73.11 H new ATOM 0 HB1 ALA A 63 -9.355 -7.326 9.283 1.00 12.42 H new ATOM 0 HB2 ALA A 63 -9.758 -7.255 7.552 1.00 12.42 H new ATOM 0 HB3 ALA A 63 -8.264 -6.495 8.149 1.00 12.42 H new ATOM 1058 N LEU A 64 -8.307 -4.125 9.725 1.00 24.12 N ATOM 1059 CA LEU A 64 -7.577 -3.479 10.834 1.00 54.54 C ATOM 1060 C LEU A 64 -8.032 -2.017 11.038 1.00 54.43 C ATOM 1061 O LEU A 64 -7.732 -1.415 12.073 1.00 33.03 O ATOM 1062 CB LEU A 64 -6.049 -3.556 10.547 1.00 44.32 C ATOM 1063 CG LEU A 64 -5.464 -5.000 10.371 1.00 3.13 C ATOM 1064 CD1 LEU A 64 -3.990 -4.972 9.896 1.00 34.21 C ATOM 1065 CD2 LEU A 64 -5.623 -5.828 11.666 1.00 24.52 C ATOM 0 H LEU A 64 -7.799 -4.111 8.840 1.00 24.12 H new ATOM 0 HA LEU A 64 -7.799 -4.009 11.760 1.00 54.54 H new ATOM 0 HB2 LEU A 64 -5.838 -2.985 9.642 1.00 44.32 H new ATOM 0 HB3 LEU A 64 -5.519 -3.066 11.364 1.00 44.32 H new ATOM 0 HG LEU A 64 -6.043 -5.490 9.588 1.00 3.13 H new ATOM 0 HD11 LEU A 64 -3.623 -5.993 9.787 1.00 34.21 H new ATOM 0 HD12 LEU A 64 -3.927 -4.459 8.936 1.00 34.21 H new ATOM 0 HD13 LEU A 64 -3.381 -4.445 10.630 1.00 34.21 H new ATOM 0 HD21 LEU A 64 -5.208 -6.825 11.514 1.00 24.52 H new ATOM 0 HD22 LEU A 64 -5.093 -5.335 12.481 1.00 24.52 H new ATOM 0 HD23 LEU A 64 -6.680 -5.910 11.918 1.00 24.52 H new ATOM 1077 N GLY A 65 -8.762 -1.466 10.040 1.00 51.01 N ATOM 1078 CA GLY A 65 -9.233 -0.074 10.080 1.00 62.24 C ATOM 1079 C GLY A 65 -8.151 0.927 9.676 1.00 71.42 C ATOM 1080 O GLY A 65 -8.143 2.072 10.146 1.00 61.13 O ATOM 0 H GLY A 65 -9.035 -1.972 9.197 1.00 51.01 H new ATOM 0 HA2 GLY A 65 -10.089 0.035 9.414 1.00 62.24 H new ATOM 0 HA3 GLY A 65 -9.580 0.159 11.087 1.00 62.24 H new ATOM 1084 N GLY A 66 -7.243 0.486 8.781 1.00 3.44 N ATOM 1085 CA GLY A 66 -6.141 1.318 8.288 1.00 40.43 C ATOM 1086 C GLY A 66 -6.317 1.754 6.835 1.00 51.44 C ATOM 1087 O GLY A 66 -5.382 2.288 6.242 1.00 72.02 O ATOM 0 H GLY A 66 -7.258 -0.454 8.385 1.00 3.44 H new ATOM 0 HA2 GLY A 66 -6.053 2.203 8.918 1.00 40.43 H new ATOM 0 HA3 GLY A 66 -5.206 0.765 8.384 1.00 40.43 H new ATOM 1091 N ALA A 67 -7.529 1.555 6.271 1.00 45.32 N ATOM 1092 CA ALA A 67 -7.823 1.870 4.853 1.00 13.21 C ATOM 1093 C ALA A 67 -7.816 3.382 4.596 1.00 52.11 C ATOM 1094 O ALA A 67 -7.188 3.860 3.640 1.00 13.22 O ATOM 1095 CB ALA A 67 -9.168 1.257 4.442 1.00 43.12 C ATOM 0 H ALA A 67 -8.326 1.174 6.781 1.00 45.32 H new ATOM 0 HA ALA A 67 -7.034 1.432 4.242 1.00 13.21 H new ATOM 0 HB1 ALA A 67 -9.373 1.495 3.398 1.00 43.12 H new ATOM 0 HB2 ALA A 67 -9.128 0.175 4.566 1.00 43.12 H new ATOM 0 HB3 ALA A 67 -9.961 1.665 5.069 1.00 43.12 H new ATOM 1101 N VAL A 68 -8.508 4.119 5.481 1.00 53.52 N ATOM 1102 CA VAL A 68 -8.570 5.593 5.434 1.00 23.41 C ATOM 1103 C VAL A 68 -7.172 6.193 5.692 1.00 43.44 C ATOM 1104 O VAL A 68 -6.839 7.226 5.131 1.00 25.25 O ATOM 1105 CB VAL A 68 -9.627 6.160 6.467 1.00 21.04 C ATOM 1106 CG1 VAL A 68 -9.688 7.708 6.456 1.00 25.30 C ATOM 1107 CG2 VAL A 68 -11.028 5.560 6.200 1.00 55.34 C ATOM 0 H VAL A 68 -9.041 3.712 6.250 1.00 53.52 H new ATOM 0 HA VAL A 68 -8.898 5.887 4.437 1.00 23.41 H new ATOM 0 HB VAL A 68 -9.296 5.858 7.461 1.00 21.04 H new ATOM 0 HG11 VAL A 68 -10.427 8.048 7.181 1.00 25.30 H new ATOM 0 HG12 VAL A 68 -8.710 8.113 6.718 1.00 25.30 H new ATOM 0 HG13 VAL A 68 -9.969 8.054 5.461 1.00 25.30 H new ATOM 0 HG21 VAL A 68 -11.740 5.963 6.921 1.00 55.34 H new ATOM 0 HG22 VAL A 68 -11.348 5.819 5.191 1.00 55.34 H new ATOM 0 HG23 VAL A 68 -10.984 4.475 6.300 1.00 55.34 H new ATOM 1117 N GLN A 69 -6.347 5.492 6.505 1.00 74.33 N ATOM 1118 CA GLN A 69 -4.951 5.913 6.799 1.00 10.34 C ATOM 1119 C GLN A 69 -4.086 5.904 5.511 1.00 11.32 C ATOM 1120 O GLN A 69 -3.251 6.792 5.312 1.00 74.44 O ATOM 1121 CB GLN A 69 -4.311 4.991 7.884 1.00 22.30 C ATOM 1122 CG GLN A 69 -5.111 4.858 9.206 1.00 13.33 C ATOM 1123 CD GLN A 69 -5.181 6.129 10.073 1.00 64.25 C ATOM 1124 OE1 GLN A 69 -5.130 7.257 9.587 1.00 20.23 O ATOM 1125 NE2 GLN A 69 -5.342 5.949 11.383 1.00 74.43 N ATOM 0 H GLN A 69 -6.623 4.628 6.972 1.00 74.33 H new ATOM 0 HA GLN A 69 -4.985 6.932 7.185 1.00 10.34 H new ATOM 0 HB2 GLN A 69 -4.179 3.996 7.458 1.00 22.30 H new ATOM 0 HB3 GLN A 69 -3.317 5.372 8.118 1.00 22.30 H new ATOM 0 HG2 GLN A 69 -6.128 4.548 8.965 1.00 13.33 H new ATOM 0 HG3 GLN A 69 -4.667 4.059 9.800 1.00 13.33 H new ATOM 0 HE21 GLN A 69 -5.382 5.005 11.767 1.00 74.43 H new ATOM 0 HE22 GLN A 69 -5.425 6.755 12.002 1.00 74.43 H new ATOM 1134 N VAL A 70 -4.319 4.894 4.648 1.00 70.22 N ATOM 1135 CA VAL A 70 -3.620 4.748 3.353 1.00 43.44 C ATOM 1136 C VAL A 70 -4.081 5.823 2.354 1.00 13.13 C ATOM 1137 O VAL A 70 -3.253 6.476 1.715 1.00 71.32 O ATOM 1138 CB VAL A 70 -3.847 3.309 2.751 1.00 64.13 C ATOM 1139 CG1 VAL A 70 -3.216 3.146 1.350 1.00 11.02 C ATOM 1140 CG2 VAL A 70 -3.301 2.241 3.713 1.00 44.51 C ATOM 0 H VAL A 70 -4.998 4.155 4.829 1.00 70.22 H new ATOM 0 HA VAL A 70 -2.554 4.882 3.534 1.00 43.44 H new ATOM 0 HB VAL A 70 -4.922 3.175 2.631 1.00 64.13 H new ATOM 0 HG11 VAL A 70 -3.402 2.137 0.982 1.00 11.02 H new ATOM 0 HG12 VAL A 70 -3.659 3.869 0.665 1.00 11.02 H new ATOM 0 HG13 VAL A 70 -2.141 3.317 1.413 1.00 11.02 H new ATOM 0 HG21 VAL A 70 -3.463 1.251 3.287 1.00 44.51 H new ATOM 0 HG22 VAL A 70 -2.234 2.400 3.865 1.00 44.51 H new ATOM 0 HG23 VAL A 70 -3.819 2.314 4.669 1.00 44.51 H new ATOM 1150 N LYS A 71 -5.412 6.002 2.249 1.00 20.44 N ATOM 1151 CA LYS A 71 -6.025 6.993 1.338 1.00 44.34 C ATOM 1152 C LYS A 71 -5.584 8.430 1.696 1.00 52.41 C ATOM 1153 O LYS A 71 -5.243 9.217 0.808 1.00 25.23 O ATOM 1154 CB LYS A 71 -7.573 6.875 1.370 1.00 35.32 C ATOM 1155 CG LYS A 71 -8.124 5.532 0.845 1.00 43.24 C ATOM 1156 CD LYS A 71 -9.665 5.442 0.957 1.00 62.13 C ATOM 1157 CE LYS A 71 -10.398 6.471 0.074 1.00 54.40 C ATOM 1158 NZ LYS A 71 -11.866 6.493 0.348 1.00 4.42 N ATOM 0 H LYS A 71 -6.091 5.467 2.790 1.00 20.44 H new ATOM 0 HA LYS A 71 -5.679 6.779 0.327 1.00 44.34 H new ATOM 0 HB2 LYS A 71 -7.914 7.017 2.395 1.00 35.32 H new ATOM 0 HB3 LYS A 71 -7.999 7.685 0.777 1.00 35.32 H new ATOM 0 HG2 LYS A 71 -7.830 5.404 -0.197 1.00 43.24 H new ATOM 0 HG3 LYS A 71 -7.673 4.713 1.406 1.00 43.24 H new ATOM 0 HD2 LYS A 71 -9.985 4.439 0.677 1.00 62.13 H new ATOM 0 HD3 LYS A 71 -9.957 5.591 1.997 1.00 62.13 H new ATOM 0 HE2 LYS A 71 -9.981 7.463 0.249 1.00 54.40 H new ATOM 0 HE3 LYS A 71 -10.228 6.235 -0.976 1.00 54.40 H new ATOM 0 HZ1 LYS A 71 -12.323 7.197 -0.266 1.00 4.42 H new ATOM 0 HZ2 LYS A 71 -12.269 5.554 0.157 1.00 4.42 H new ATOM 0 HZ3 LYS A 71 -12.030 6.743 1.344 1.00 4.42 H new ATOM 1172 N THR A 72 -5.576 8.735 3.008 1.00 30.03 N ATOM 1173 CA THR A 72 -5.167 10.048 3.535 1.00 42.31 C ATOM 1174 C THR A 72 -3.687 10.316 3.228 1.00 42.43 C ATOM 1175 O THR A 72 -3.338 11.380 2.702 1.00 12.42 O ATOM 1176 CB THR A 72 -5.407 10.147 5.089 1.00 23.24 C ATOM 1177 OG1 THR A 72 -6.798 9.938 5.387 1.00 30.35 O ATOM 1178 CG2 THR A 72 -4.967 11.505 5.668 1.00 62.44 C ATOM 0 H THR A 72 -5.854 8.074 3.733 1.00 30.03 H new ATOM 0 HA THR A 72 -5.782 10.801 3.042 1.00 42.31 H new ATOM 0 HB THR A 72 -4.797 9.372 5.553 1.00 23.24 H new ATOM 0 HG1 THR A 72 -6.982 8.976 5.433 1.00 30.35 H new ATOM 0 HG21 THR A 72 -5.154 11.521 6.742 1.00 62.44 H new ATOM 0 HG22 THR A 72 -3.903 11.652 5.483 1.00 62.44 H new ATOM 0 HG23 THR A 72 -5.532 12.305 5.190 1.00 62.44 H new ATOM 1186 N PHE A 73 -2.833 9.320 3.528 1.00 11.03 N ATOM 1187 CA PHE A 73 -1.378 9.475 3.411 1.00 65.12 C ATOM 1188 C PHE A 73 -0.958 9.644 1.943 1.00 24.02 C ATOM 1189 O PHE A 73 -0.293 10.619 1.617 1.00 64.34 O ATOM 1190 CB PHE A 73 -0.615 8.289 4.046 1.00 61.44 C ATOM 1191 CG PHE A 73 0.904 8.491 4.068 1.00 24.31 C ATOM 1192 CD1 PHE A 73 1.495 9.365 4.979 1.00 41.23 C ATOM 1193 CD2 PHE A 73 1.734 7.831 3.164 1.00 11.12 C ATOM 1194 CE1 PHE A 73 2.867 9.553 4.991 1.00 74.42 C ATOM 1195 CE2 PHE A 73 3.101 8.019 3.180 1.00 13.43 C ATOM 1196 CZ PHE A 73 3.665 8.881 4.087 1.00 62.15 C ATOM 0 H PHE A 73 -3.130 8.400 3.853 1.00 11.03 H new ATOM 0 HA PHE A 73 -1.112 10.377 3.962 1.00 65.12 H new ATOM 0 HB2 PHE A 73 -0.970 8.141 5.066 1.00 61.44 H new ATOM 0 HB3 PHE A 73 -0.846 7.379 3.493 1.00 61.44 H new ATOM 0 HD1 PHE A 73 0.876 9.901 5.683 1.00 41.23 H new ATOM 0 HD2 PHE A 73 1.300 7.160 2.438 1.00 11.12 H new ATOM 0 HE1 PHE A 73 3.313 10.226 5.708 1.00 74.42 H new ATOM 0 HE2 PHE A 73 3.727 7.488 2.479 1.00 13.43 H new ATOM 0 HZ PHE A 73 4.734 9.034 4.093 1.00 62.15 H new ATOM 1206 N ILE A 74 -1.375 8.692 1.072 1.00 43.24 N ATOM 1207 CA ILE A 74 -0.997 8.673 -0.362 1.00 60.24 C ATOM 1208 C ILE A 74 -1.413 9.986 -1.065 1.00 75.52 C ATOM 1209 O ILE A 74 -0.636 10.538 -1.841 1.00 61.40 O ATOM 1210 CB ILE A 74 -1.583 7.399 -1.111 1.00 71.01 C ATOM 1211 CG1 ILE A 74 -0.878 6.102 -0.589 1.00 55.01 C ATOM 1212 CG2 ILE A 74 -1.458 7.509 -2.653 1.00 43.13 C ATOM 1213 CD1 ILE A 74 -1.270 4.815 -1.300 1.00 13.14 C ATOM 0 H ILE A 74 -1.981 7.918 1.344 1.00 43.24 H new ATOM 0 HA ILE A 74 0.089 8.599 -0.412 1.00 60.24 H new ATOM 0 HB ILE A 74 -2.648 7.347 -0.886 1.00 71.01 H new ATOM 0 HG12 ILE A 74 0.200 6.233 -0.680 1.00 55.01 H new ATOM 0 HG13 ILE A 74 -1.097 5.992 0.473 1.00 55.01 H new ATOM 0 HG21 ILE A 74 -1.873 6.614 -3.116 1.00 43.13 H new ATOM 0 HG22 ILE A 74 -2.006 8.385 -3.001 1.00 43.13 H new ATOM 0 HG23 ILE A 74 -0.407 7.606 -2.927 1.00 43.13 H new ATOM 0 HD11 ILE A 74 -0.726 3.978 -0.863 1.00 13.14 H new ATOM 0 HD12 ILE A 74 -2.342 4.649 -1.188 1.00 13.14 H new ATOM 0 HD13 ILE A 74 -1.024 4.895 -2.359 1.00 13.14 H new ATOM 1225 N THR A 75 -2.607 10.504 -0.737 1.00 2.22 N ATOM 1226 CA THR A 75 -3.108 11.769 -1.315 1.00 51.11 C ATOM 1227 C THR A 75 -2.309 12.994 -0.794 1.00 1.33 C ATOM 1228 O THR A 75 -1.789 13.791 -1.593 1.00 0.41 O ATOM 1229 CB THR A 75 -4.636 11.941 -1.027 1.00 62.14 C ATOM 1230 OG1 THR A 75 -5.357 10.846 -1.626 1.00 51.42 O ATOM 1231 CG2 THR A 75 -5.198 13.267 -1.569 1.00 54.00 C ATOM 0 H THR A 75 -3.247 10.068 -0.074 1.00 2.22 H new ATOM 0 HA THR A 75 -2.962 11.718 -2.394 1.00 51.11 H new ATOM 0 HB THR A 75 -4.763 11.950 0.056 1.00 62.14 H new ATOM 0 HG1 THR A 75 -5.456 10.123 -0.972 1.00 51.42 H new ATOM 0 HG21 THR A 75 -6.262 13.332 -1.340 1.00 54.00 H new ATOM 0 HG22 THR A 75 -4.675 14.102 -1.102 1.00 54.00 H new ATOM 0 HG23 THR A 75 -5.056 13.308 -2.649 1.00 54.00 H new ATOM 1239 N GLN A 76 -2.185 13.110 0.540 1.00 63.13 N ATOM 1240 CA GLN A 76 -1.561 14.288 1.195 1.00 3.51 C ATOM 1241 C GLN A 76 -0.026 14.315 1.048 1.00 64.15 C ATOM 1242 O GLN A 76 0.584 15.383 1.191 1.00 20.43 O ATOM 1243 CB GLN A 76 -1.948 14.377 2.699 1.00 72.01 C ATOM 1244 CG GLN A 76 -3.429 14.739 2.975 1.00 0.40 C ATOM 1245 CD GLN A 76 -3.738 14.990 4.461 1.00 60.22 C ATOM 1246 OE1 GLN A 76 -2.876 15.416 5.236 1.00 21.44 O ATOM 1247 NE2 GLN A 76 -4.978 14.765 4.863 1.00 72.13 N ATOM 0 H GLN A 76 -2.510 12.399 1.196 1.00 63.13 H new ATOM 0 HA GLN A 76 -1.957 15.159 0.673 1.00 3.51 H new ATOM 0 HB2 GLN A 76 -1.730 13.419 3.172 1.00 72.01 H new ATOM 0 HB3 GLN A 76 -1.312 15.121 3.179 1.00 72.01 H new ATOM 0 HG2 GLN A 76 -3.688 15.630 2.404 1.00 0.40 H new ATOM 0 HG3 GLN A 76 -4.065 13.931 2.612 1.00 0.40 H new ATOM 0 HE21 GLN A 76 -5.672 14.413 4.204 1.00 72.13 H new ATOM 0 HE22 GLN A 76 -5.240 14.944 5.832 1.00 72.13 H new ATOM 1256 N THR A 77 0.593 13.154 0.767 1.00 65.33 N ATOM 1257 CA THR A 77 2.050 13.070 0.535 1.00 71.41 C ATOM 1258 C THR A 77 2.372 13.517 -0.904 1.00 51.15 C ATOM 1259 O THR A 77 1.473 13.875 -1.668 1.00 64.51 O ATOM 1260 CB THR A 77 2.630 11.622 0.818 1.00 45.43 C ATOM 1261 OG1 THR A 77 4.058 11.690 0.937 1.00 64.24 O ATOM 1262 CG2 THR A 77 2.275 10.591 -0.278 1.00 44.24 C ATOM 0 H THR A 77 0.108 12.260 0.695 1.00 65.33 H new ATOM 0 HA THR A 77 2.537 13.740 1.243 1.00 71.41 H new ATOM 0 HB THR A 77 2.169 11.283 1.746 1.00 45.43 H new ATOM 0 HG1 THR A 77 4.415 10.794 1.114 1.00 64.24 H new ATOM 0 HG21 THR A 77 2.704 9.623 -0.019 1.00 44.24 H new ATOM 0 HG22 THR A 77 1.192 10.499 -0.354 1.00 44.24 H new ATOM 0 HG23 THR A 77 2.679 10.923 -1.234 1.00 44.24 H new ATOM 1270 N LYS A 78 3.663 13.531 -1.242 1.00 34.30 N ATOM 1271 CA LYS A 78 4.143 13.773 -2.610 1.00 3.01 C ATOM 1272 C LYS A 78 5.461 13.018 -2.819 1.00 13.02 C ATOM 1273 O LYS A 78 6.241 13.333 -3.724 1.00 13.40 O ATOM 1274 CB LYS A 78 4.294 15.299 -2.872 1.00 23.22 C ATOM 1275 CG LYS A 78 5.284 16.035 -1.939 1.00 71.13 C ATOM 1276 CD LYS A 78 5.331 17.551 -2.230 1.00 10.20 C ATOM 1277 CE LYS A 78 6.359 18.291 -1.362 1.00 23.23 C ATOM 1278 NZ LYS A 78 7.759 17.884 -1.668 1.00 44.31 N ATOM 0 H LYS A 78 4.414 13.374 -0.570 1.00 34.30 H new ATOM 0 HA LYS A 78 3.417 13.400 -3.332 1.00 3.01 H new ATOM 0 HB2 LYS A 78 4.616 15.444 -3.903 1.00 23.22 H new ATOM 0 HB3 LYS A 78 3.314 15.766 -2.776 1.00 23.22 H new ATOM 0 HG2 LYS A 78 4.993 15.873 -0.901 1.00 71.13 H new ATOM 0 HG3 LYS A 78 6.281 15.611 -2.060 1.00 71.13 H new ATOM 0 HD2 LYS A 78 5.570 17.707 -3.282 1.00 10.20 H new ATOM 0 HD3 LYS A 78 4.343 17.980 -2.061 1.00 10.20 H new ATOM 0 HE2 LYS A 78 6.254 19.365 -1.515 1.00 23.23 H new ATOM 0 HE3 LYS A 78 6.149 18.097 -0.310 1.00 23.23 H new ATOM 0 HZ1 LYS A 78 8.419 18.481 -1.131 1.00 44.31 H new ATOM 0 HZ2 LYS A 78 7.897 16.888 -1.401 1.00 44.31 H new ATOM 0 HZ3 LYS A 78 7.939 17.998 -2.686 1.00 44.31 H new ATOM 1292 N GLU A 79 5.678 11.980 -1.986 1.00 43.14 N ATOM 1293 CA GLU A 79 6.902 11.179 -2.012 1.00 41.14 C ATOM 1294 C GLU A 79 6.774 10.073 -3.041 1.00 50.43 C ATOM 1295 O GLU A 79 5.799 9.321 -3.026 1.00 11.24 O ATOM 1296 CB GLU A 79 7.210 10.597 -0.611 1.00 41.20 C ATOM 1297 CG GLU A 79 7.326 11.660 0.492 1.00 21.44 C ATOM 1298 CD GLU A 79 8.260 12.825 0.116 1.00 51.24 C ATOM 1299 OE1 GLU A 79 9.498 12.644 0.145 1.00 61.23 O ATOM 1300 OE2 GLU A 79 7.755 13.921 -0.226 1.00 21.22 O ATOM 0 H GLU A 79 5.006 11.680 -1.280 1.00 43.14 H new ATOM 0 HA GLU A 79 7.735 11.823 -2.294 1.00 41.14 H new ATOM 0 HB2 GLU A 79 6.425 9.891 -0.341 1.00 41.20 H new ATOM 0 HB3 GLU A 79 8.142 10.034 -0.659 1.00 41.20 H new ATOM 0 HG2 GLU A 79 6.334 12.055 0.713 1.00 21.44 H new ATOM 0 HG3 GLU A 79 7.692 11.189 1.404 1.00 21.44 H new ATOM 1307 N ARG A 80 7.772 9.984 -3.914 1.00 35.04 N ATOM 1308 CA ARG A 80 7.805 9.007 -5.009 1.00 71.53 C ATOM 1309 C ARG A 80 8.610 7.770 -4.566 1.00 70.34 C ATOM 1310 O ARG A 80 9.674 7.922 -3.945 1.00 62.35 O ATOM 1311 CB ARG A 80 8.428 9.600 -6.315 1.00 65.51 C ATOM 1312 CG ARG A 80 7.550 10.643 -7.059 1.00 60.00 C ATOM 1313 CD ARG A 80 7.528 12.033 -6.383 1.00 72.11 C ATOM 1314 NE ARG A 80 6.760 13.027 -7.158 1.00 60.45 N ATOM 1315 CZ ARG A 80 7.058 14.339 -7.252 1.00 53.33 C ATOM 1316 NH1 ARG A 80 8.109 14.852 -6.619 1.00 12.33 N ATOM 1317 NH2 ARG A 80 6.296 15.137 -7.983 1.00 64.25 N ATOM 0 H ARG A 80 8.591 10.592 -3.885 1.00 35.04 H new ATOM 0 HA ARG A 80 6.776 8.730 -5.236 1.00 71.53 H new ATOM 0 HB2 ARG A 80 9.381 10.066 -6.064 1.00 65.51 H new ATOM 0 HB3 ARG A 80 8.645 8.779 -6.999 1.00 65.51 H new ATOM 0 HG2 ARG A 80 7.917 10.751 -8.080 1.00 60.00 H new ATOM 0 HG3 ARG A 80 6.530 10.265 -7.125 1.00 60.00 H new ATOM 0 HD2 ARG A 80 7.096 11.942 -5.386 1.00 72.11 H new ATOM 0 HD3 ARG A 80 8.551 12.388 -6.256 1.00 72.11 H new ATOM 0 HE ARG A 80 5.938 12.695 -7.663 1.00 60.45 H new ATOM 0 HH11 ARG A 80 8.705 14.251 -6.051 1.00 12.33 H new ATOM 0 HH12 ARG A 80 8.319 15.847 -6.702 1.00 12.33 H new ATOM 0 HH21 ARG A 80 5.485 14.759 -8.474 1.00 64.25 H new ATOM 0 HH22 ARG A 80 6.519 16.130 -8.056 1.00 64.25 H new ATOM 1331 N PRO A 81 8.097 6.533 -4.852 1.00 73.21 N ATOM 1332 CA PRO A 81 8.856 5.287 -4.620 1.00 13.24 C ATOM 1333 C PRO A 81 10.056 5.198 -5.597 1.00 32.20 C ATOM 1334 O PRO A 81 9.874 5.196 -6.820 1.00 33.12 O ATOM 1335 CB PRO A 81 7.796 4.161 -4.866 1.00 23.41 C ATOM 1336 CG PRO A 81 6.464 4.860 -4.916 1.00 2.41 C ATOM 1337 CD PRO A 81 6.752 6.252 -5.420 1.00 63.04 C ATOM 0 HA PRO A 81 9.295 5.216 -3.625 1.00 13.24 H new ATOM 0 HB2 PRO A 81 7.996 3.632 -5.798 1.00 23.41 H new ATOM 0 HB3 PRO A 81 7.820 3.420 -4.067 1.00 23.41 H new ATOM 0 HG2 PRO A 81 5.773 4.339 -5.579 1.00 2.41 H new ATOM 0 HG3 PRO A 81 6.000 4.889 -3.930 1.00 2.41 H new ATOM 0 HD2 PRO A 81 6.755 6.296 -6.509 1.00 63.04 H new ATOM 0 HD3 PRO A 81 6.008 6.970 -5.074 1.00 63.04 H new ATOM 1345 N ARG A 82 11.268 5.146 -5.033 1.00 10.34 N ATOM 1346 CA ARG A 82 12.539 5.123 -5.793 1.00 65.00 C ATOM 1347 C ARG A 82 13.345 3.880 -5.366 1.00 62.33 C ATOM 1348 O ARG A 82 13.019 3.273 -4.346 1.00 32.12 O ATOM 1349 CB ARG A 82 13.314 6.449 -5.522 1.00 1.54 C ATOM 1350 CG ARG A 82 14.612 6.652 -6.344 1.00 43.13 C ATOM 1351 CD ARG A 82 15.276 8.019 -6.087 1.00 41.41 C ATOM 1352 NE ARG A 82 16.430 8.275 -6.967 1.00 51.43 N ATOM 1353 CZ ARG A 82 17.356 9.237 -6.773 1.00 71.13 C ATOM 1354 NH1 ARG A 82 17.279 10.055 -5.715 1.00 42.15 N ATOM 1355 NH2 ARG A 82 18.350 9.391 -7.647 1.00 65.32 N ATOM 0 H ARG A 82 11.404 5.118 -4.022 1.00 10.34 H new ATOM 0 HA ARG A 82 12.359 5.057 -6.866 1.00 65.00 H new ATOM 0 HB2 ARG A 82 12.645 7.286 -5.722 1.00 1.54 H new ATOM 0 HB3 ARG A 82 13.567 6.490 -4.463 1.00 1.54 H new ATOM 0 HG2 ARG A 82 15.319 5.859 -6.100 1.00 43.13 H new ATOM 0 HG3 ARG A 82 14.382 6.559 -7.405 1.00 43.13 H new ATOM 0 HD2 ARG A 82 14.537 8.808 -6.228 1.00 41.41 H new ATOM 0 HD3 ARG A 82 15.601 8.069 -5.048 1.00 41.41 H new ATOM 0 HE ARG A 82 16.537 7.678 -7.787 1.00 51.43 H new ATOM 0 HH11 ARG A 82 16.515 9.954 -5.047 1.00 42.15 H new ATOM 0 HH12 ARG A 82 17.984 10.779 -5.578 1.00 42.15 H new ATOM 0 HH21 ARG A 82 18.411 8.782 -8.463 1.00 65.32 H new ATOM 0 HH22 ARG A 82 19.050 10.118 -7.500 1.00 65.32 H new ATOM 1369 N LEU A 83 14.364 3.481 -6.157 1.00 52.13 N ATOM 1370 CA LEU A 83 15.198 2.296 -5.854 1.00 3.14 C ATOM 1371 C LEU A 83 15.880 2.434 -4.467 1.00 2.20 C ATOM 1372 O LEU A 83 16.748 3.289 -4.283 1.00 51.42 O ATOM 1373 CB LEU A 83 16.259 2.082 -6.968 1.00 4.24 C ATOM 1374 CG LEU A 83 17.173 0.823 -6.812 1.00 35.31 C ATOM 1375 CD1 LEU A 83 16.359 -0.488 -6.883 1.00 53.02 C ATOM 1376 CD2 LEU A 83 18.319 0.834 -7.850 1.00 54.40 C ATOM 0 H LEU A 83 14.630 3.965 -7.015 1.00 52.13 H new ATOM 0 HA LEU A 83 14.548 1.422 -5.821 1.00 3.14 H new ATOM 0 HB2 LEU A 83 15.743 2.015 -7.926 1.00 4.24 H new ATOM 0 HB3 LEU A 83 16.896 2.966 -7.010 1.00 4.24 H new ATOM 0 HG LEU A 83 17.623 0.867 -5.820 1.00 35.31 H new ATOM 0 HD11 LEU A 83 17.030 -1.340 -6.771 1.00 53.02 H new ATOM 0 HD12 LEU A 83 15.619 -0.501 -6.083 1.00 53.02 H new ATOM 0 HD13 LEU A 83 15.852 -0.550 -7.846 1.00 53.02 H new ATOM 0 HD21 LEU A 83 18.938 -0.053 -7.718 1.00 54.40 H new ATOM 0 HD22 LEU A 83 17.899 0.837 -8.856 1.00 54.40 H new ATOM 0 HD23 LEU A 83 18.929 1.726 -7.709 1.00 54.40 H new ATOM 1388 N GLY A 84 15.453 1.593 -3.504 1.00 71.42 N ATOM 1389 CA GLY A 84 15.980 1.620 -2.123 1.00 71.12 C ATOM 1390 C GLY A 84 15.258 2.623 -1.220 1.00 53.34 C ATOM 1391 O GLY A 84 15.673 2.863 -0.083 1.00 13.44 O ATOM 0 H GLY A 84 14.739 0.881 -3.658 1.00 71.42 H new ATOM 0 HA2 GLY A 84 15.895 0.624 -1.689 1.00 71.12 H new ATOM 0 HA3 GLY A 84 17.042 1.865 -2.151 1.00 71.12 H new ATOM 1395 N LYS A 85 14.201 3.240 -1.766 1.00 4.43 N ATOM 1396 CA LYS A 85 13.381 4.258 -1.089 1.00 5.51 C ATOM 1397 C LYS A 85 11.879 3.881 -1.202 1.00 14.33 C ATOM 1398 O LYS A 85 11.277 4.033 -2.268 1.00 22.02 O ATOM 1399 CB LYS A 85 13.683 5.639 -1.750 1.00 41.12 C ATOM 1400 CG LYS A 85 12.874 6.834 -1.202 1.00 12.31 C ATOM 1401 CD LYS A 85 13.296 8.170 -1.873 1.00 50.02 C ATOM 1402 CE LYS A 85 12.466 9.364 -1.396 1.00 25.33 C ATOM 1403 NZ LYS A 85 11.041 9.260 -1.809 1.00 72.01 N ATOM 0 H LYS A 85 13.883 3.041 -2.715 1.00 4.43 H new ATOM 0 HA LYS A 85 13.622 4.313 -0.027 1.00 5.51 H new ATOM 0 HB2 LYS A 85 14.744 5.856 -1.628 1.00 41.12 H new ATOM 0 HB3 LYS A 85 13.496 5.557 -2.821 1.00 41.12 H new ATOM 0 HG2 LYS A 85 11.811 6.662 -1.371 1.00 12.31 H new ATOM 0 HG3 LYS A 85 13.018 6.907 -0.124 1.00 12.31 H new ATOM 0 HD2 LYS A 85 14.349 8.359 -1.664 1.00 50.02 H new ATOM 0 HD3 LYS A 85 13.198 8.075 -2.954 1.00 50.02 H new ATOM 0 HE2 LYS A 85 12.523 9.433 -0.310 1.00 25.33 H new ATOM 0 HE3 LYS A 85 12.892 10.284 -1.797 1.00 25.33 H new ATOM 0 HZ1 LYS A 85 10.666 10.210 -2.005 1.00 72.01 H new ATOM 0 HZ2 LYS A 85 10.970 8.676 -2.667 1.00 72.01 H new ATOM 0 HZ3 LYS A 85 10.489 8.821 -1.045 1.00 72.01 H new ATOM 1417 N ALA A 86 11.290 3.364 -0.111 1.00 24.01 N ATOM 1418 CA ALA A 86 9.846 3.033 -0.056 1.00 4.25 C ATOM 1419 C ALA A 86 9.027 4.223 0.471 1.00 62.33 C ATOM 1420 O ALA A 86 9.571 5.130 1.108 1.00 41.40 O ATOM 1421 CB ALA A 86 9.624 1.799 0.837 1.00 61.33 C ATOM 0 H ALA A 86 11.792 3.163 0.754 1.00 24.01 H new ATOM 0 HA ALA A 86 9.507 2.810 -1.067 1.00 4.25 H new ATOM 0 HB1 ALA A 86 8.561 1.562 0.872 1.00 61.33 H new ATOM 0 HB2 ALA A 86 10.171 0.950 0.427 1.00 61.33 H new ATOM 0 HB3 ALA A 86 9.983 2.010 1.845 1.00 61.33 H new ATOM 1427 N VAL A 87 7.715 4.214 0.177 1.00 71.24 N ATOM 1428 CA VAL A 87 6.745 5.165 0.755 1.00 14.24 C ATOM 1429 C VAL A 87 6.033 4.456 1.926 1.00 0.22 C ATOM 1430 O VAL A 87 5.031 3.760 1.733 1.00 45.24 O ATOM 1431 CB VAL A 87 5.707 5.668 -0.335 1.00 24.13 C ATOM 1432 CG1 VAL A 87 4.683 6.676 0.241 1.00 54.23 C ATOM 1433 CG2 VAL A 87 6.438 6.269 -1.555 1.00 12.24 C ATOM 0 H VAL A 87 7.295 3.546 -0.469 1.00 71.24 H new ATOM 0 HA VAL A 87 7.263 6.054 1.116 1.00 14.24 H new ATOM 0 HB VAL A 87 5.144 4.793 -0.660 1.00 24.13 H new ATOM 0 HG11 VAL A 87 3.997 6.988 -0.546 1.00 54.23 H new ATOM 0 HG12 VAL A 87 4.121 6.203 1.046 1.00 54.23 H new ATOM 0 HG13 VAL A 87 5.210 7.548 0.629 1.00 54.23 H new ATOM 0 HG21 VAL A 87 5.705 6.607 -2.288 1.00 12.24 H new ATOM 0 HG22 VAL A 87 7.047 7.114 -1.234 1.00 12.24 H new ATOM 0 HG23 VAL A 87 7.079 5.511 -2.005 1.00 12.24 H new ATOM 1443 N SER A 88 6.605 4.595 3.131 1.00 52.34 N ATOM 1444 CA SER A 88 6.144 3.888 4.332 1.00 13.03 C ATOM 1445 C SER A 88 4.928 4.615 4.923 1.00 34.20 C ATOM 1446 O SER A 88 5.062 5.687 5.527 1.00 1.03 O ATOM 1447 CB SER A 88 7.295 3.782 5.364 1.00 52.03 C ATOM 1448 OG SER A 88 6.918 3.008 6.493 1.00 51.43 O ATOM 0 H SER A 88 7.405 5.205 3.299 1.00 52.34 H new ATOM 0 HA SER A 88 5.842 2.875 4.066 1.00 13.03 H new ATOM 0 HB2 SER A 88 8.168 3.333 4.890 1.00 52.03 H new ATOM 0 HB3 SER A 88 7.586 4.781 5.688 1.00 52.03 H new ATOM 0 HG SER A 88 7.668 2.961 7.122 1.00 51.43 H new ATOM 1454 N ILE A 89 3.744 4.035 4.688 1.00 61.53 N ATOM 1455 CA ILE A 89 2.459 4.567 5.154 1.00 30.13 C ATOM 1456 C ILE A 89 2.236 4.167 6.628 1.00 60.52 C ATOM 1457 O ILE A 89 2.164 2.969 6.925 1.00 22.23 O ATOM 1458 CB ILE A 89 1.280 4.010 4.272 1.00 52.50 C ATOM 1459 CG1 ILE A 89 1.544 4.342 2.769 1.00 65.10 C ATOM 1460 CG2 ILE A 89 -0.097 4.540 4.751 1.00 4.23 C ATOM 1461 CD1 ILE A 89 0.576 3.723 1.799 1.00 53.43 C ATOM 0 H ILE A 89 3.652 3.168 4.159 1.00 61.53 H new ATOM 0 HA ILE A 89 2.478 5.653 5.068 1.00 30.13 H new ATOM 0 HB ILE A 89 1.244 2.926 4.383 1.00 52.50 H new ATOM 0 HG12 ILE A 89 1.519 5.424 2.642 1.00 65.10 H new ATOM 0 HG13 ILE A 89 2.551 4.014 2.512 1.00 65.10 H new ATOM 0 HG21 ILE A 89 -0.884 4.133 4.117 1.00 4.23 H new ATOM 0 HG22 ILE A 89 -0.267 4.232 5.783 1.00 4.23 H new ATOM 0 HG23 ILE A 89 -0.109 5.628 4.691 1.00 4.23 H new ATOM 0 HD11 ILE A 89 0.844 4.013 0.783 1.00 53.43 H new ATOM 0 HD12 ILE A 89 0.615 2.637 1.889 1.00 53.43 H new ATOM 0 HD13 ILE A 89 -0.433 4.069 2.021 1.00 53.43 H new ATOM 1473 N PRO A 90 2.157 5.154 7.575 1.00 24.31 N ATOM 1474 CA PRO A 90 1.840 4.860 8.978 1.00 11.12 C ATOM 1475 C PRO A 90 0.350 4.516 9.154 1.00 55.52 C ATOM 1476 O PRO A 90 -0.535 5.355 8.916 1.00 5.22 O ATOM 1477 CB PRO A 90 2.249 6.164 9.719 1.00 74.41 C ATOM 1478 CG PRO A 90 2.120 7.255 8.698 1.00 43.22 C ATOM 1479 CD PRO A 90 2.391 6.608 7.352 1.00 62.13 C ATOM 0 HA PRO A 90 2.363 3.987 9.368 1.00 11.12 H new ATOM 0 HB2 PRO A 90 1.602 6.349 10.576 1.00 74.41 H new ATOM 0 HB3 PRO A 90 3.269 6.098 10.098 1.00 74.41 H new ATOM 0 HG2 PRO A 90 1.124 7.697 8.724 1.00 43.22 H new ATOM 0 HG3 PRO A 90 2.830 8.058 8.894 1.00 43.22 H new ATOM 0 HD2 PRO A 90 1.727 7.002 6.583 1.00 62.13 H new ATOM 0 HD3 PRO A 90 3.412 6.798 7.020 1.00 62.13 H new ATOM 1487 N LEU A 91 0.076 3.252 9.521 1.00 71.31 N ATOM 1488 CA LEU A 91 -1.267 2.824 9.910 1.00 11.21 C ATOM 1489 C LEU A 91 -1.432 3.117 11.401 1.00 53.33 C ATOM 1490 O LEU A 91 -0.984 2.336 12.256 1.00 34.33 O ATOM 1491 CB LEU A 91 -1.505 1.325 9.572 1.00 0.03 C ATOM 1492 CG LEU A 91 -1.317 0.918 8.074 1.00 52.14 C ATOM 1493 CD1 LEU A 91 -1.690 -0.561 7.853 1.00 32.12 C ATOM 1494 CD2 LEU A 91 -2.106 1.845 7.126 1.00 31.21 C ATOM 0 H LEU A 91 0.775 2.510 9.554 1.00 71.31 H new ATOM 0 HA LEU A 91 -2.021 3.374 9.346 1.00 11.21 H new ATOM 0 HB2 LEU A 91 -0.826 0.725 10.178 1.00 0.03 H new ATOM 0 HB3 LEU A 91 -2.519 1.062 9.874 1.00 0.03 H new ATOM 0 HG LEU A 91 -0.261 1.037 7.832 1.00 52.14 H new ATOM 0 HD11 LEU A 91 -1.550 -0.818 6.803 1.00 32.12 H new ATOM 0 HD12 LEU A 91 -1.051 -1.193 8.470 1.00 32.12 H new ATOM 0 HD13 LEU A 91 -2.732 -0.719 8.130 1.00 32.12 H new ATOM 0 HD21 LEU A 91 -1.949 1.529 6.095 1.00 31.21 H new ATOM 0 HD22 LEU A 91 -3.168 1.791 7.365 1.00 31.21 H new ATOM 0 HD23 LEU A 91 -1.759 2.871 7.248 1.00 31.21 H new ATOM 1506 N ASP A 92 -1.988 4.306 11.687 1.00 41.22 N ATOM 1507 CA ASP A 92 -2.167 4.816 13.054 1.00 23.42 C ATOM 1508 C ASP A 92 -3.227 3.976 13.793 1.00 34.35 C ATOM 1509 O ASP A 92 -4.433 4.272 13.751 1.00 30.10 O ATOM 1510 CB ASP A 92 -2.529 6.330 13.024 1.00 3.32 C ATOM 1511 CG ASP A 92 -2.783 6.950 14.418 1.00 32.31 C ATOM 1512 OD1 ASP A 92 -1.812 7.147 15.176 1.00 3.11 O ATOM 1513 OD2 ASP A 92 -3.952 7.251 14.755 1.00 62.34 O ATOM 0 H ASP A 92 -2.328 4.945 10.968 1.00 41.22 H new ATOM 0 HA ASP A 92 -1.231 4.722 13.605 1.00 23.42 H new ATOM 0 HB2 ASP A 92 -1.720 6.876 12.538 1.00 3.32 H new ATOM 0 HB3 ASP A 92 -3.419 6.467 12.410 1.00 3.32 H new ATOM 1518 N LEU A 93 -2.753 2.873 14.403 1.00 25.23 N ATOM 1519 CA LEU A 93 -3.582 1.910 15.147 1.00 32.20 C ATOM 1520 C LEU A 93 -3.024 1.766 16.574 1.00 2.41 C ATOM 1521 O LEU A 93 -2.723 0.660 17.038 1.00 64.20 O ATOM 1522 CB LEU A 93 -3.616 0.526 14.414 1.00 3.34 C ATOM 1523 CG LEU A 93 -4.156 0.509 12.942 1.00 11.10 C ATOM 1524 CD1 LEU A 93 -4.107 -0.913 12.344 1.00 71.21 C ATOM 1525 CD2 LEU A 93 -5.579 1.104 12.842 1.00 0.01 C ATOM 0 H LEU A 93 -1.764 2.623 14.391 1.00 25.23 H new ATOM 0 HA LEU A 93 -4.607 2.276 15.199 1.00 32.20 H new ATOM 0 HB2 LEU A 93 -2.604 0.122 14.407 1.00 3.34 H new ATOM 0 HB3 LEU A 93 -4.227 -0.155 15.006 1.00 3.34 H new ATOM 0 HG LEU A 93 -3.496 1.146 12.352 1.00 11.10 H new ATOM 0 HD11 LEU A 93 -4.488 -0.892 11.323 1.00 71.21 H new ATOM 0 HD12 LEU A 93 -3.077 -1.271 12.340 1.00 71.21 H new ATOM 0 HD13 LEU A 93 -4.721 -1.582 12.946 1.00 71.21 H new ATOM 0 HD21 LEU A 93 -5.914 1.073 11.805 1.00 0.01 H new ATOM 0 HD22 LEU A 93 -6.261 0.522 13.462 1.00 0.01 H new ATOM 0 HD23 LEU A 93 -5.566 2.137 13.188 1.00 0.01 H new