USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 632 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 81 SER OG : rot -59:sc= 0.987 USER MOD Set 1.2: A 84 GLN : amide:sc= 1.43 K(o=2.4,f=-0.86!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= 1.23 (180deg=1.13) USER MOD Single : A 16 SER OG : rot -86:sc= 0.382 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -140:sc= -0.0895 (180deg=-1.55) USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= -0.0174 (180deg=-0.228) USER MOD Single : A 36 ASN : amide:sc= 1.08 K(o=1.1,f=-1.7!) USER MOD Single : A 37 LYS NZ :NH3+ -115:sc= 0.416 (180deg=-0.487) USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= 0.283 (180deg=0.00126) USER MOD Single : A 44 MET CE :methyl 169:sc= -0.0367 (180deg=-0.302) USER MOD Single : A 46 THR OG1 : rot -127:sc= -1.46 USER MOD Single : A 51 GLN : amide:sc= -0.0484 X(o=-0.048,f=-0.44) USER MOD Single : A 52 ASN : amide:sc= 1.11 K(o=1.1,f=-0.091) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -8.29! C(o=-8.3!,f=-4.9!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.432 USER MOD Single : A 72 ASN : amide:sc= 0.0236 K(o=0.024,f=-1.9) USER MOD Single : A 75 LYS NZ :NH3+ -143:sc= -1.58! (180deg=-2.26) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 77 THR OG1 : rot -90:sc= -0.792 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N ASP A 6 14.137 13.138 -2.701 1.00 0.94 N ATOM 63 CA ASP A 6 13.062 12.170 -2.820 1.00 0.82 C ATOM 64 C ASP A 6 11.721 12.899 -2.799 1.00 0.72 C ATOM 65 O ASP A 6 10.930 12.784 -1.863 1.00 0.76 O ATOM 66 CB ASP A 6 13.155 11.096 -1.720 1.00 0.88 C ATOM 67 CG ASP A 6 13.079 11.654 -0.308 1.00 1.03 C ATOM 68 OD1 ASP A 6 12.210 11.205 0.465 1.00 1.40 O ATOM 69 OD2 ASP A 6 13.895 12.540 0.037 1.00 1.79 O ATOM 0 HA ASP A 6 13.153 11.645 -3.771 1.00 0.82 H new ATOM 0 HB2 ASP A 6 12.349 10.376 -1.860 1.00 0.88 H new ATOM 0 HB3 ASP A 6 14.092 10.552 -1.835 1.00 0.88 H new ATOM 74 N SER A 7 11.495 13.685 -3.848 1.00 0.68 N ATOM 75 CA SER A 7 10.260 14.439 -4.012 1.00 0.67 C ATOM 76 C SER A 7 9.063 13.493 -4.035 1.00 0.53 C ATOM 77 O SER A 7 9.037 12.534 -4.802 1.00 0.46 O ATOM 78 CB SER A 7 10.321 15.231 -5.319 1.00 0.77 C ATOM 79 OG SER A 7 11.519 15.987 -5.412 1.00 1.33 O ATOM 0 H SER A 7 12.164 13.816 -4.607 1.00 0.68 H new ATOM 0 HA SER A 7 10.145 15.126 -3.173 1.00 0.67 H new ATOM 0 HB2 SER A 7 10.255 14.546 -6.164 1.00 0.77 H new ATOM 0 HB3 SER A 7 9.462 15.899 -5.382 1.00 0.77 H new ATOM 0 HG SER A 7 11.529 16.481 -6.259 1.00 1.33 H new ATOM 85 N GLN A 8 8.071 13.798 -3.193 1.00 0.53 N ATOM 86 CA GLN A 8 6.910 12.929 -2.981 1.00 0.47 C ATOM 87 C GLN A 8 6.220 12.561 -4.287 1.00 0.48 C ATOM 88 O GLN A 8 5.697 11.457 -4.420 1.00 0.50 O ATOM 89 CB GLN A 8 5.898 13.589 -2.040 1.00 0.53 C ATOM 90 CG GLN A 8 6.450 13.885 -0.657 1.00 0.86 C ATOM 91 CD GLN A 8 5.390 14.410 0.296 1.00 1.25 C ATOM 92 OE1 GLN A 8 5.160 15.614 0.382 1.00 1.88 O ATOM 93 NE2 GLN A 8 4.746 13.510 1.027 1.00 1.57 N ATOM 0 H GLN A 8 8.050 14.654 -2.639 1.00 0.53 H new ATOM 0 HA GLN A 8 7.287 12.013 -2.526 1.00 0.47 H new ATOM 0 HB2 GLN A 8 5.551 14.520 -2.489 1.00 0.53 H new ATOM 0 HB3 GLN A 8 5.029 12.939 -1.943 1.00 0.53 H new ATOM 0 HG2 GLN A 8 6.888 12.977 -0.243 1.00 0.86 H new ATOM 0 HG3 GLN A 8 7.253 14.617 -0.740 1.00 0.86 H new ATOM 0 HE21 GLN A 8 4.966 12.519 0.926 1.00 1.57 H new ATOM 0 HE22 GLN A 8 4.031 13.809 1.690 1.00 1.57 H new ATOM 102 N GLU A 9 6.216 13.483 -5.241 1.00 0.54 N ATOM 103 CA GLU A 9 5.616 13.222 -6.543 1.00 0.59 C ATOM 104 C GLU A 9 6.415 12.163 -7.298 1.00 0.51 C ATOM 105 O GLU A 9 5.853 11.201 -7.817 1.00 0.50 O ATOM 106 CB GLU A 9 5.538 14.503 -7.370 1.00 0.73 C ATOM 107 CG GLU A 9 4.677 15.586 -6.742 1.00 1.34 C ATOM 108 CD GLU A 9 4.530 16.796 -7.638 1.00 1.57 C ATOM 109 OE1 GLU A 9 3.494 16.907 -8.330 1.00 1.45 O ATOM 110 OE2 GLU A 9 5.455 17.635 -7.670 1.00 2.17 O ATOM 0 H GLU A 9 6.620 14.414 -5.139 1.00 0.54 H new ATOM 0 HA GLU A 9 4.604 12.851 -6.380 1.00 0.59 H new ATOM 0 HB2 GLU A 9 6.546 14.892 -7.516 1.00 0.73 H new ATOM 0 HB3 GLU A 9 5.142 14.264 -8.357 1.00 0.73 H new ATOM 0 HG2 GLU A 9 3.690 15.179 -6.520 1.00 1.34 H new ATOM 0 HG3 GLU A 9 5.117 15.891 -5.793 1.00 1.34 H new ATOM 117 N LYS A 10 7.732 12.338 -7.338 1.00 0.50 N ATOM 118 CA LYS A 10 8.603 11.397 -8.031 1.00 0.48 C ATOM 119 C LYS A 10 8.668 10.069 -7.282 1.00 0.38 C ATOM 120 O LYS A 10 8.741 9.004 -7.897 1.00 0.38 O ATOM 121 CB LYS A 10 10.011 11.979 -8.205 1.00 0.58 C ATOM 122 CG LYS A 10 10.935 11.081 -9.012 1.00 0.75 C ATOM 123 CD LYS A 10 10.325 10.741 -10.362 1.00 1.63 C ATOM 124 CE LYS A 10 11.133 9.687 -11.097 1.00 2.14 C ATOM 125 NZ LYS A 10 10.467 9.266 -12.359 1.00 2.55 N ATOM 0 H LYS A 10 8.218 13.121 -6.900 1.00 0.50 H new ATOM 0 HA LYS A 10 8.182 11.217 -9.020 1.00 0.48 H new ATOM 0 HB2 LYS A 10 9.938 12.949 -8.696 1.00 0.58 H new ATOM 0 HB3 LYS A 10 10.450 12.152 -7.222 1.00 0.58 H new ATOM 0 HG2 LYS A 10 11.894 11.578 -9.158 1.00 0.75 H new ATOM 0 HG3 LYS A 10 11.132 10.164 -8.457 1.00 0.75 H new ATOM 0 HD2 LYS A 10 9.305 10.384 -10.220 1.00 1.63 H new ATOM 0 HD3 LYS A 10 10.265 11.643 -10.971 1.00 1.63 H new ATOM 0 HE2 LYS A 10 12.125 10.080 -11.322 1.00 2.14 H new ATOM 0 HE3 LYS A 10 11.272 8.820 -10.452 1.00 2.14 H new ATOM 0 HZ1 LYS A 10 11.113 8.663 -12.908 1.00 2.55 H new ATOM 0 HZ2 LYS A 10 9.603 8.733 -12.134 1.00 2.55 H new ATOM 0 HZ3 LYS A 10 10.219 10.107 -12.918 1.00 2.55 H new ATOM 139 N VAL A 11 8.637 10.136 -5.956 1.00 0.34 N ATOM 140 CA VAL A 11 8.620 8.934 -5.136 1.00 0.30 C ATOM 141 C VAL A 11 7.418 8.072 -5.498 1.00 0.27 C ATOM 142 O VAL A 11 7.574 6.922 -5.895 1.00 0.31 O ATOM 143 CB VAL A 11 8.586 9.264 -3.626 1.00 0.31 C ATOM 144 CG1 VAL A 11 8.394 8.003 -2.795 1.00 0.39 C ATOM 145 CG2 VAL A 11 9.862 9.973 -3.209 1.00 0.37 C ATOM 0 H VAL A 11 8.623 11.009 -5.428 1.00 0.34 H new ATOM 0 HA VAL A 11 9.542 8.388 -5.338 1.00 0.30 H new ATOM 0 HB VAL A 11 7.739 9.925 -3.446 1.00 0.31 H new ATOM 0 HG11 VAL A 11 8.374 8.264 -1.737 1.00 0.39 H new ATOM 0 HG12 VAL A 11 7.453 7.526 -3.069 1.00 0.39 H new ATOM 0 HG13 VAL A 11 9.218 7.314 -2.983 1.00 0.39 H new ATOM 0 HG21 VAL A 11 9.822 10.198 -2.143 1.00 0.37 H new ATOM 0 HG22 VAL A 11 10.718 9.330 -3.412 1.00 0.37 H new ATOM 0 HG23 VAL A 11 9.963 10.901 -3.772 1.00 0.37 H new ATOM 149 N ALA A 12 6.227 8.658 -5.406 1.00 0.26 N ATOM 150 CA ALA A 12 4.991 7.954 -5.735 1.00 0.27 C ATOM 151 C ALA A 12 5.036 7.409 -7.158 1.00 0.26 C ATOM 152 O ALA A 12 4.550 6.307 -7.441 1.00 0.31 O ATOM 153 CB ALA A 12 3.804 8.887 -5.568 1.00 0.35 C ATOM 0 H ALA A 12 6.092 9.623 -5.105 1.00 0.26 H new ATOM 0 HA ALA A 12 4.883 7.111 -5.053 1.00 0.27 H new ATOM 0 HB1 ALA A 12 2.885 8.355 -5.815 1.00 0.35 H new ATOM 0 HB2 ALA A 12 3.756 9.234 -4.536 1.00 0.35 H new ATOM 0 HB3 ALA A 12 3.918 9.743 -6.233 1.00 0.35 H new ATOM 159 N ASP A 13 5.631 8.193 -8.046 1.00 0.26 N ATOM 160 CA ASP A 13 5.797 7.809 -9.440 1.00 0.32 C ATOM 161 C ASP A 13 6.652 6.549 -9.567 1.00 0.30 C ATOM 162 O ASP A 13 6.383 5.685 -10.404 1.00 0.42 O ATOM 163 CB ASP A 13 6.434 8.963 -10.217 1.00 0.39 C ATOM 164 CG ASP A 13 6.712 8.618 -11.664 1.00 0.59 C ATOM 165 OD1 ASP A 13 5.748 8.382 -12.418 1.00 0.86 O ATOM 166 OD2 ASP A 13 7.897 8.600 -12.059 1.00 0.67 O ATOM 0 H ASP A 13 6.012 9.112 -7.820 1.00 0.26 H new ATOM 0 HA ASP A 13 4.815 7.589 -9.858 1.00 0.32 H new ATOM 0 HB2 ASP A 13 5.774 9.830 -10.176 1.00 0.39 H new ATOM 0 HB3 ASP A 13 7.367 9.250 -9.732 1.00 0.39 H new ATOM 171 N GLU A 14 7.686 6.452 -8.741 1.00 0.25 N ATOM 172 CA GLU A 14 8.572 5.299 -8.769 1.00 0.35 C ATOM 173 C GLU A 14 7.956 4.085 -8.072 1.00 0.28 C ATOM 174 O GLU A 14 8.074 2.966 -8.572 1.00 0.32 O ATOM 175 CB GLU A 14 9.931 5.626 -8.147 1.00 0.53 C ATOM 176 CG GLU A 14 10.969 4.540 -8.393 1.00 1.18 C ATOM 177 CD GLU A 14 12.343 4.899 -7.874 1.00 1.35 C ATOM 178 OE1 GLU A 14 12.923 5.895 -8.359 1.00 1.53 O ATOM 179 OE2 GLU A 14 12.838 4.198 -6.965 1.00 2.05 O ATOM 0 H GLU A 14 7.930 7.157 -8.045 1.00 0.25 H new ATOM 0 HA GLU A 14 8.719 5.046 -9.819 1.00 0.35 H new ATOM 0 HB2 GLU A 14 10.295 6.569 -8.555 1.00 0.53 H new ATOM 0 HB3 GLU A 14 9.809 5.769 -7.073 1.00 0.53 H new ATOM 0 HG2 GLU A 14 10.638 3.616 -7.918 1.00 1.18 H new ATOM 0 HG3 GLU A 14 11.032 4.343 -9.463 1.00 1.18 H new ATOM 186 N ILE A 15 7.291 4.299 -6.928 1.00 0.22 N ATOM 187 CA ILE A 15 6.759 3.178 -6.137 1.00 0.19 C ATOM 188 C ILE A 15 5.842 2.317 -6.991 1.00 0.17 C ATOM 189 O ILE A 15 6.008 1.101 -7.072 1.00 0.22 O ATOM 190 CB ILE A 15 5.931 3.618 -4.904 1.00 0.21 C ATOM 191 CG1 ILE A 15 6.531 4.829 -4.196 1.00 0.25 C ATOM 192 CG2 ILE A 15 5.822 2.459 -3.923 1.00 0.29 C ATOM 193 CD1 ILE A 15 7.864 4.563 -3.527 1.00 0.33 C ATOM 0 H ILE A 15 7.110 5.222 -6.534 1.00 0.22 H new ATOM 0 HA ILE A 15 7.639 2.634 -5.793 1.00 0.19 H new ATOM 0 HB ILE A 15 4.944 3.908 -5.264 1.00 0.21 H new ATOM 0 HG12 ILE A 15 6.656 5.634 -4.920 1.00 0.25 H new ATOM 0 HG13 ILE A 15 5.825 5.183 -3.445 1.00 0.25 H new ATOM 0 HG21 ILE A 15 5.239 2.770 -3.056 1.00 0.29 H new ATOM 0 HG22 ILE A 15 5.329 1.617 -4.408 1.00 0.29 H new ATOM 0 HG23 ILE A 15 6.819 2.160 -3.601 1.00 0.29 H new ATOM 0 HD11 ILE A 15 8.219 5.475 -3.048 1.00 0.33 H new ATOM 0 HD12 ILE A 15 7.745 3.782 -2.776 1.00 0.33 H new ATOM 0 HD13 ILE A 15 8.588 4.240 -4.275 1.00 0.33 H new ATOM 200 N SER A 16 4.896 2.973 -7.649 1.00 0.18 N ATOM 201 CA SER A 16 3.906 2.288 -8.466 1.00 0.25 C ATOM 202 C SER A 16 4.569 1.447 -9.551 1.00 0.22 C ATOM 203 O SER A 16 4.141 0.329 -9.830 1.00 0.30 O ATOM 204 CB SER A 16 2.952 3.306 -9.083 1.00 0.32 C ATOM 205 OG SER A 16 3.662 4.416 -9.616 1.00 0.30 O ATOM 0 H SER A 16 4.794 3.988 -7.632 1.00 0.18 H new ATOM 0 HA SER A 16 3.340 1.611 -7.826 1.00 0.25 H new ATOM 0 HB2 SER A 16 2.369 2.831 -9.872 1.00 0.32 H new ATOM 0 HB3 SER A 16 2.246 3.651 -8.328 1.00 0.32 H new ATOM 0 HG SER A 16 3.809 5.080 -8.910 1.00 0.30 H new ATOM 211 N PHE A 17 5.627 1.984 -10.140 1.00 0.18 N ATOM 212 CA PHE A 17 6.387 1.273 -11.156 1.00 0.24 C ATOM 213 C PHE A 17 7.093 0.058 -10.557 1.00 0.28 C ATOM 214 O PHE A 17 7.045 -1.037 -11.114 1.00 0.37 O ATOM 215 CB PHE A 17 7.406 2.220 -11.796 1.00 0.29 C ATOM 216 CG PHE A 17 8.411 1.532 -12.673 1.00 0.38 C ATOM 217 CD1 PHE A 17 9.737 1.432 -12.278 1.00 0.39 C ATOM 218 CD2 PHE A 17 8.032 0.980 -13.885 1.00 0.49 C ATOM 219 CE1 PHE A 17 10.665 0.793 -13.077 1.00 0.49 C ATOM 220 CE2 PHE A 17 8.957 0.342 -14.687 1.00 0.59 C ATOM 221 CZ PHE A 17 10.275 0.249 -14.282 1.00 0.58 C ATOM 0 H PHE A 17 5.980 2.917 -9.929 1.00 0.18 H new ATOM 0 HA PHE A 17 5.698 0.918 -11.922 1.00 0.24 H new ATOM 0 HB2 PHE A 17 6.873 2.965 -12.387 1.00 0.29 H new ATOM 0 HB3 PHE A 17 7.934 2.756 -11.007 1.00 0.29 H new ATOM 0 HD1 PHE A 17 10.047 1.858 -11.335 1.00 0.39 H new ATOM 0 HD2 PHE A 17 7.003 1.049 -14.206 1.00 0.49 H new ATOM 0 HE1 PHE A 17 11.694 0.720 -12.758 1.00 0.49 H new ATOM 0 HE2 PHE A 17 8.651 -0.084 -15.631 1.00 0.59 H new ATOM 0 HZ PHE A 17 10.999 -0.250 -14.909 1.00 0.58 H new ATOM 231 N ARG A 18 7.723 0.262 -9.407 1.00 0.24 N ATOM 232 CA ARG A 18 8.521 -0.783 -8.773 1.00 0.29 C ATOM 233 C ARG A 18 7.661 -1.957 -8.329 1.00 0.28 C ATOM 234 O ARG A 18 8.030 -3.115 -8.531 1.00 0.30 O ATOM 235 CB ARG A 18 9.307 -0.216 -7.588 1.00 0.37 C ATOM 236 CG ARG A 18 10.349 0.814 -7.997 1.00 0.41 C ATOM 237 CD ARG A 18 11.064 1.414 -6.794 1.00 0.57 C ATOM 238 NE ARG A 18 11.859 0.428 -6.064 1.00 1.49 N ATOM 239 CZ ARG A 18 12.961 0.721 -5.373 1.00 1.74 C ATOM 240 NH1 ARG A 18 13.447 1.958 -5.369 1.00 1.26 N ATOM 241 NH2 ARG A 18 13.585 -0.233 -4.696 1.00 2.83 N ATOM 0 H ARG A 18 7.697 1.142 -8.893 1.00 0.24 H new ATOM 0 HA ARG A 18 9.226 -1.154 -9.517 1.00 0.29 H new ATOM 0 HB2 ARG A 18 8.611 0.241 -6.884 1.00 0.37 H new ATOM 0 HB3 ARG A 18 9.801 -1.034 -7.063 1.00 0.37 H new ATOM 0 HG2 ARG A 18 11.080 0.347 -8.657 1.00 0.41 H new ATOM 0 HG3 ARG A 18 9.868 1.609 -8.566 1.00 0.41 H new ATOM 0 HD2 ARG A 18 11.713 2.223 -7.128 1.00 0.57 H new ATOM 0 HD3 ARG A 18 10.328 1.853 -6.120 1.00 0.57 H new ATOM 0 HE ARG A 18 11.552 -0.544 -6.085 1.00 1.49 H new ATOM 0 HH11 ARG A 18 12.976 2.693 -5.897 1.00 1.26 H new ATOM 0 HH12 ARG A 18 14.291 2.173 -4.837 1.00 1.26 H new ATOM 0 HH21 ARG A 18 13.222 -1.186 -4.705 1.00 2.83 H new ATOM 0 HH22 ARG A 18 14.428 -0.014 -4.166 1.00 2.83 H new ATOM 255 N LEU A 19 6.512 -1.667 -7.737 1.00 0.27 N ATOM 256 CA LEU A 19 5.632 -2.717 -7.256 1.00 0.25 C ATOM 257 C LEU A 19 4.751 -3.275 -8.359 1.00 0.28 C ATOM 258 O LEU A 19 4.057 -4.273 -8.155 1.00 0.38 O ATOM 259 CB LEU A 19 4.752 -2.222 -6.110 1.00 0.29 C ATOM 260 CG LEU A 19 5.462 -2.075 -4.768 1.00 0.35 C ATOM 261 CD1 LEU A 19 6.255 -3.329 -4.436 1.00 0.99 C ATOM 262 CD2 LEU A 19 6.370 -0.876 -4.782 1.00 0.63 C ATOM 0 H LEU A 19 6.170 -0.719 -7.580 1.00 0.27 H new ATOM 0 HA LEU A 19 6.279 -3.516 -6.894 1.00 0.25 H new ATOM 0 HB2 LEU A 19 4.329 -1.257 -6.388 1.00 0.29 H new ATOM 0 HB3 LEU A 19 3.917 -2.913 -5.989 1.00 0.29 H new ATOM 0 HG LEU A 19 4.704 -1.933 -3.998 1.00 0.35 H new ATOM 0 HD11 LEU A 19 6.753 -3.201 -3.475 1.00 0.99 H new ATOM 0 HD12 LEU A 19 5.580 -4.183 -4.384 1.00 0.99 H new ATOM 0 HD13 LEU A 19 7.002 -3.503 -5.211 1.00 0.99 H new ATOM 0 HD21 LEU A 19 6.869 -0.786 -3.817 1.00 0.63 H new ATOM 0 HD22 LEU A 19 7.117 -0.995 -5.567 1.00 0.63 H new ATOM 0 HD23 LEU A 19 5.783 0.023 -4.972 1.00 0.63 H new ATOM 274 N GLN A 20 4.795 -2.634 -9.531 1.00 0.25 N ATOM 275 CA GLN A 20 3.847 -2.923 -10.601 1.00 0.28 C ATOM 276 C GLN A 20 2.443 -2.730 -10.050 1.00 0.28 C ATOM 277 O GLN A 20 1.506 -3.466 -10.367 1.00 0.35 O ATOM 278 CB GLN A 20 4.056 -4.337 -11.151 1.00 0.36 C ATOM 279 CG GLN A 20 5.422 -4.525 -11.793 1.00 0.88 C ATOM 280 CD GLN A 20 5.718 -5.967 -12.145 1.00 1.00 C ATOM 281 OE1 GLN A 20 6.265 -6.716 -11.333 1.00 1.36 O ATOM 282 NE2 GLN A 20 5.373 -6.366 -13.357 1.00 1.60 N ATOM 0 H GLN A 20 5.479 -1.912 -9.759 1.00 0.25 H new ATOM 0 HA GLN A 20 4.003 -2.243 -11.439 1.00 0.28 H new ATOM 0 HB2 GLN A 20 3.938 -5.058 -10.342 1.00 0.36 H new ATOM 0 HB3 GLN A 20 3.281 -4.554 -11.886 1.00 0.36 H new ATOM 0 HG2 GLN A 20 5.479 -3.917 -12.696 1.00 0.88 H new ATOM 0 HG3 GLN A 20 6.190 -4.158 -11.113 1.00 0.88 H new ATOM 0 HE21 GLN A 20 4.922 -5.715 -13.999 1.00 1.60 H new ATOM 0 HE22 GLN A 20 5.558 -7.325 -13.650 1.00 1.60 H new ATOM 291 N GLU A 21 2.350 -1.713 -9.202 1.00 0.29 N ATOM 292 CA GLU A 21 1.152 -1.379 -8.446 1.00 0.36 C ATOM 293 C GLU A 21 -0.020 -1.048 -9.377 1.00 0.31 C ATOM 294 O GLU A 21 0.050 -0.116 -10.178 1.00 0.36 O ATOM 295 CB GLU A 21 1.500 -0.198 -7.522 1.00 0.53 C ATOM 296 CG GLU A 21 0.318 0.547 -6.927 1.00 0.79 C ATOM 297 CD GLU A 21 -0.502 -0.274 -5.953 1.00 0.70 C ATOM 298 OE1 GLU A 21 -0.346 -0.086 -4.732 1.00 1.07 O ATOM 299 OE2 GLU A 21 -1.320 -1.094 -6.408 1.00 1.31 O ATOM 0 H GLU A 21 3.129 -1.081 -9.017 1.00 0.29 H new ATOM 0 HA GLU A 21 0.830 -2.233 -7.850 1.00 0.36 H new ATOM 0 HB2 GLU A 21 2.119 -0.570 -6.706 1.00 0.53 H new ATOM 0 HB3 GLU A 21 2.107 0.512 -8.084 1.00 0.53 H new ATOM 0 HG2 GLU A 21 0.683 1.438 -6.417 1.00 0.79 H new ATOM 0 HG3 GLU A 21 -0.329 0.885 -7.736 1.00 0.79 H new ATOM 306 N PRO A 22 -1.090 -1.858 -9.314 1.00 0.27 N ATOM 307 CA PRO A 22 -2.341 -1.617 -10.050 1.00 0.28 C ATOM 308 C PRO A 22 -3.052 -0.344 -9.608 1.00 0.30 C ATOM 309 O PRO A 22 -3.517 0.441 -10.435 1.00 0.41 O ATOM 310 CB PRO A 22 -3.193 -2.839 -9.695 1.00 0.30 C ATOM 311 CG PRO A 22 -2.640 -3.282 -8.394 1.00 0.31 C ATOM 312 CD PRO A 22 -1.164 -3.102 -8.533 1.00 0.31 C ATOM 0 HA PRO A 22 -2.161 -1.485 -11.117 1.00 0.28 H new ATOM 0 HB2 PRO A 22 -4.249 -2.582 -9.615 1.00 0.30 H new ATOM 0 HB3 PRO A 22 -3.111 -3.619 -10.452 1.00 0.30 H new ATOM 0 HG2 PRO A 22 -3.036 -2.687 -7.571 1.00 0.31 H new ATOM 0 HG3 PRO A 22 -2.895 -4.321 -8.188 1.00 0.31 H new ATOM 0 HD2 PRO A 22 -0.670 -3.009 -7.566 1.00 0.31 H new ATOM 0 HD3 PRO A 22 -0.696 -3.939 -9.051 1.00 0.31 H new ATOM 320 N LYS A 23 -3.124 -0.139 -8.305 1.00 0.30 N ATOM 321 CA LYS A 23 -3.848 0.982 -7.745 1.00 0.35 C ATOM 322 C LYS A 23 -2.872 2.048 -7.272 1.00 0.34 C ATOM 323 O LYS A 23 -2.674 2.288 -6.081 1.00 0.45 O ATOM 324 CB LYS A 23 -4.795 0.498 -6.653 1.00 0.42 C ATOM 325 CG LYS A 23 -4.202 -0.563 -5.754 1.00 0.44 C ATOM 326 CD LYS A 23 -3.767 0.040 -4.450 1.00 0.77 C ATOM 327 CE LYS A 23 -3.221 -1.003 -3.523 1.00 0.73 C ATOM 328 NZ LYS A 23 -4.304 -1.741 -2.819 1.00 1.41 N ATOM 0 H LYS A 23 -2.684 -0.743 -7.611 1.00 0.30 H new ATOM 0 HA LYS A 23 -4.469 1.449 -8.509 1.00 0.35 H new ATOM 0 HB2 LYS A 23 -5.096 1.350 -6.043 1.00 0.42 H new ATOM 0 HB3 LYS A 23 -5.698 0.103 -7.118 1.00 0.42 H new ATOM 0 HG2 LYS A 23 -4.937 -1.347 -5.572 1.00 0.44 H new ATOM 0 HG3 LYS A 23 -3.351 -1.032 -6.247 1.00 0.44 H new ATOM 0 HD2 LYS A 23 -3.007 0.800 -4.634 1.00 0.77 H new ATOM 0 HD3 LYS A 23 -4.612 0.542 -3.979 1.00 0.77 H new ATOM 0 HE2 LYS A 23 -2.610 -1.707 -4.088 1.00 0.73 H new ATOM 0 HE3 LYS A 23 -2.567 -0.531 -2.790 1.00 0.73 H new ATOM 0 HZ1 LYS A 23 -4.027 -1.904 -1.830 1.00 1.41 H new ATOM 0 HZ2 LYS A 23 -5.180 -1.181 -2.845 1.00 1.41 H new ATOM 0 HZ3 LYS A 23 -4.463 -2.655 -3.289 1.00 1.41 H new ATOM 342 N LYS A 24 -2.289 2.706 -8.259 1.00 0.29 N ATOM 343 CA LYS A 24 -1.140 3.573 -8.069 1.00 0.29 C ATOM 344 C LYS A 24 -1.465 4.806 -7.234 1.00 0.31 C ATOM 345 O LYS A 24 -0.564 5.449 -6.700 1.00 0.35 O ATOM 346 CB LYS A 24 -0.597 3.983 -9.433 1.00 0.31 C ATOM 347 CG LYS A 24 -0.468 2.806 -10.388 1.00 0.30 C ATOM 348 CD LYS A 24 0.157 3.215 -11.714 1.00 0.42 C ATOM 349 CE LYS A 24 -0.724 4.186 -12.483 1.00 1.15 C ATOM 350 NZ LYS A 24 -2.051 3.597 -12.818 1.00 1.75 N ATOM 0 H LYS A 24 -2.605 2.652 -9.227 1.00 0.29 H new ATOM 0 HA LYS A 24 -0.387 3.014 -7.514 1.00 0.29 H new ATOM 0 HB2 LYS A 24 -1.256 4.732 -9.872 1.00 0.31 H new ATOM 0 HB3 LYS A 24 0.379 4.452 -9.306 1.00 0.31 H new ATOM 0 HG2 LYS A 24 0.140 2.028 -9.925 1.00 0.30 H new ATOM 0 HG3 LYS A 24 -1.453 2.376 -10.569 1.00 0.30 H new ATOM 0 HD2 LYS A 24 1.128 3.674 -11.531 1.00 0.42 H new ATOM 0 HD3 LYS A 24 0.334 2.327 -12.321 1.00 0.42 H new ATOM 0 HE2 LYS A 24 -0.868 5.090 -11.891 1.00 1.15 H new ATOM 0 HE3 LYS A 24 -0.218 4.484 -13.401 1.00 1.15 H new ATOM 0 HZ1 LYS A 24 -2.522 4.187 -13.533 1.00 1.75 H new ATOM 0 HZ2 LYS A 24 -1.919 2.636 -13.194 1.00 1.75 H new ATOM 0 HZ3 LYS A 24 -2.639 3.556 -11.961 1.00 1.75 H new ATOM 364 N ASP A 25 -2.743 5.139 -7.112 1.00 0.31 N ATOM 365 CA ASP A 25 -3.134 6.291 -6.312 1.00 0.38 C ATOM 366 C ASP A 25 -2.931 5.983 -4.832 1.00 0.31 C ATOM 367 O ASP A 25 -2.592 6.863 -4.039 1.00 0.34 O ATOM 368 CB ASP A 25 -4.592 6.693 -6.586 1.00 0.54 C ATOM 369 CG ASP A 25 -5.590 5.947 -5.721 1.00 1.32 C ATOM 370 OD1 ASP A 25 -5.924 4.787 -6.058 1.00 2.14 O ATOM 371 OD2 ASP A 25 -6.052 6.516 -4.712 1.00 1.87 O ATOM 0 H ASP A 25 -3.516 4.637 -7.549 1.00 0.31 H new ATOM 0 HA ASP A 25 -2.503 7.135 -6.592 1.00 0.38 H new ATOM 0 HB2 ASP A 25 -4.705 7.764 -6.418 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -4.822 6.509 -7.636 1.00 0.54 H new ATOM 376 N LEU A 26 -3.128 4.721 -4.464 1.00 0.28 N ATOM 377 CA LEU A 26 -2.933 4.293 -3.088 1.00 0.31 C ATOM 378 C LEU A 26 -1.448 4.221 -2.764 1.00 0.25 C ATOM 379 O LEU A 26 -1.027 4.615 -1.679 1.00 0.24 O ATOM 380 CB LEU A 26 -3.619 2.945 -2.835 1.00 0.40 C ATOM 381 CG LEU A 26 -3.696 2.501 -1.369 1.00 0.58 C ATOM 382 CD1 LEU A 26 -4.838 1.525 -1.184 1.00 1.33 C ATOM 383 CD2 LEU A 26 -2.391 1.859 -0.916 1.00 1.18 C ATOM 0 H LEU A 26 -3.422 3.980 -5.100 1.00 0.28 H new ATOM 0 HA LEU A 26 -3.392 5.028 -2.427 1.00 0.31 H new ATOM 0 HB2 LEU A 26 -4.632 2.994 -3.234 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -3.090 2.178 -3.400 1.00 0.40 H new ATOM 0 HG LEU A 26 -3.870 3.387 -0.758 1.00 0.58 H new ATOM 0 HD11 LEU A 26 -4.886 1.215 -0.140 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -5.776 2.005 -1.463 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -4.676 0.651 -1.815 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -2.478 1.555 0.127 1.00 1.18 H new ATOM 0 HD22 LEU A 26 -2.183 0.985 -1.532 1.00 1.18 H new ATOM 0 HD23 LEU A 26 -1.577 2.577 -1.018 1.00 1.18 H new ATOM 395 N ILE A 27 -0.657 3.725 -3.707 1.00 0.23 N ATOM 396 CA ILE A 27 0.784 3.629 -3.510 1.00 0.23 C ATOM 397 C ILE A 27 1.376 5.034 -3.338 1.00 0.22 C ATOM 398 O ILE A 27 2.369 5.222 -2.635 1.00 0.24 O ATOM 399 CB ILE A 27 1.471 2.855 -4.674 1.00 0.24 C ATOM 400 CG1 ILE A 27 2.628 1.997 -4.155 1.00 0.28 C ATOM 401 CG2 ILE A 27 1.957 3.789 -5.767 1.00 0.34 C ATOM 402 CD1 ILE A 27 2.197 0.946 -3.160 1.00 0.44 C ATOM 0 H ILE A 27 -0.986 3.385 -4.611 1.00 0.23 H new ATOM 0 HA ILE A 27 0.975 3.058 -2.602 1.00 0.23 H new ATOM 0 HB ILE A 27 0.717 2.199 -5.109 1.00 0.24 H new ATOM 0 HG12 ILE A 27 3.116 1.509 -4.999 1.00 0.28 H new ATOM 0 HG13 ILE A 27 3.370 2.645 -3.689 1.00 0.28 H new ATOM 0 HG21 ILE A 27 2.430 3.208 -6.559 1.00 0.34 H new ATOM 0 HG22 ILE A 27 1.111 4.340 -6.177 1.00 0.34 H new ATOM 0 HG23 ILE A 27 2.680 4.491 -5.351 1.00 0.34 H new ATOM 0 HD11 ILE A 27 3.067 0.375 -2.834 1.00 0.44 H new ATOM 0 HD12 ILE A 27 1.736 1.428 -2.298 1.00 0.44 H new ATOM 0 HD13 ILE A 27 1.477 0.275 -3.629 1.00 0.44 H new ATOM 409 N ALA A 28 0.732 6.021 -3.970 1.00 0.21 N ATOM 410 CA ALA A 28 1.081 7.425 -3.772 1.00 0.21 C ATOM 411 C ALA A 28 0.584 7.906 -2.417 1.00 0.21 C ATOM 412 O ALA A 28 1.205 8.745 -1.768 1.00 0.20 O ATOM 413 CB ALA A 28 0.486 8.291 -4.866 1.00 0.21 C ATOM 0 H ALA A 28 -0.036 5.869 -4.624 1.00 0.21 H new ATOM 0 HA ALA A 28 2.167 7.509 -3.810 1.00 0.21 H new ATOM 0 HB1 ALA A 28 0.760 9.332 -4.696 1.00 0.21 H new ATOM 0 HB2 ALA A 28 0.869 7.968 -5.834 1.00 0.21 H new ATOM 0 HB3 ALA A 28 -0.600 8.196 -4.855 1.00 0.21 H new ATOM 419 N ARG A 29 -0.561 7.382 -2.010 1.00 0.21 N ATOM 420 CA ARG A 29 -1.140 7.721 -0.726 1.00 0.21 C ATOM 421 C ARG A 29 -0.231 7.286 0.419 1.00 0.19 C ATOM 422 O ARG A 29 -0.081 8.012 1.402 1.00 0.17 O ATOM 423 CB ARG A 29 -2.510 7.078 -0.559 1.00 0.22 C ATOM 424 CG ARG A 29 -3.020 7.210 0.852 1.00 0.27 C ATOM 425 CD ARG A 29 -4.193 6.274 1.120 1.00 0.29 C ATOM 426 NE ARG A 29 -5.356 6.595 0.284 1.00 0.64 N ATOM 427 CZ ARG A 29 -6.596 6.154 0.511 1.00 1.11 C ATOM 428 NH1 ARG A 29 -6.871 5.439 1.593 1.00 1.48 N ATOM 429 NH2 ARG A 29 -7.569 6.446 -0.345 1.00 1.47 N ATOM 0 H ARG A 29 -1.108 6.717 -2.556 1.00 0.21 H new ATOM 0 HA ARG A 29 -1.250 8.805 -0.696 1.00 0.21 H new ATOM 0 HB2 ARG A 29 -3.217 7.544 -1.246 1.00 0.22 H new ATOM 0 HB3 ARG A 29 -2.452 6.023 -0.828 1.00 0.22 H new ATOM 0 HG2 ARG A 29 -2.213 6.992 1.552 1.00 0.27 H new ATOM 0 HG3 ARG A 29 -3.328 8.240 1.032 1.00 0.27 H new ATOM 0 HD2 ARG A 29 -3.885 5.245 0.933 1.00 0.29 H new ATOM 0 HD3 ARG A 29 -4.474 6.337 2.171 1.00 0.29 H new ATOM 0 HE ARG A 29 -5.207 7.196 -0.526 1.00 0.64 H new ATOM 0 HH11 ARG A 29 -6.132 5.221 2.262 1.00 1.48 H new ATOM 0 HH12 ARG A 29 -7.821 5.107 1.757 1.00 1.48 H new ATOM 0 HH21 ARG A 29 -7.368 7.006 -1.174 1.00 1.47 H new ATOM 0 HH22 ARG A 29 -8.517 6.110 -0.174 1.00 1.47 H new ATOM 443 N VAL A 30 0.360 6.096 0.299 1.00 0.21 N ATOM 444 CA VAL A 30 1.307 5.609 1.302 1.00 0.23 C ATOM 445 C VAL A 30 2.389 6.656 1.515 1.00 0.19 C ATOM 446 O VAL A 30 2.712 7.026 2.644 1.00 0.17 O ATOM 447 CB VAL A 30 1.983 4.288 0.871 1.00 0.34 C ATOM 448 CG1 VAL A 30 2.787 3.705 2.021 1.00 1.03 C ATOM 449 CG2 VAL A 30 0.964 3.278 0.367 1.00 1.10 C ATOM 0 H VAL A 30 0.201 5.455 -0.478 1.00 0.21 H new ATOM 0 HA VAL A 30 0.749 5.424 2.220 1.00 0.23 H new ATOM 0 HB VAL A 30 2.660 4.514 0.047 1.00 0.34 H new ATOM 0 HG11 VAL A 30 3.257 2.775 1.702 1.00 1.03 H new ATOM 0 HG12 VAL A 30 3.557 4.415 2.324 1.00 1.03 H new ATOM 0 HG13 VAL A 30 2.125 3.506 2.864 1.00 1.03 H new ATOM 0 HG21 VAL A 30 1.475 2.361 0.073 1.00 1.10 H new ATOM 0 HG22 VAL A 30 0.249 3.056 1.159 1.00 1.10 H new ATOM 0 HG23 VAL A 30 0.437 3.691 -0.493 1.00 1.10 H new ATOM 453 N VAL A 31 2.888 7.153 0.397 1.00 0.19 N ATOM 454 CA VAL A 31 3.860 8.232 0.357 1.00 0.19 C ATOM 455 C VAL A 31 3.384 9.437 1.159 1.00 0.17 C ATOM 456 O VAL A 31 4.116 9.974 1.989 1.00 0.20 O ATOM 457 CB VAL A 31 4.047 8.669 -1.099 1.00 0.20 C ATOM 458 CG1 VAL A 31 4.932 9.905 -1.197 1.00 0.20 C ATOM 459 CG2 VAL A 31 4.622 7.533 -1.930 1.00 0.22 C ATOM 0 H VAL A 31 2.624 6.811 -0.527 1.00 0.19 H new ATOM 0 HA VAL A 31 4.793 7.870 0.788 1.00 0.19 H new ATOM 0 HB VAL A 31 3.066 8.928 -1.497 1.00 0.20 H new ATOM 0 HG11 VAL A 31 5.045 10.190 -2.243 1.00 0.20 H new ATOM 0 HG12 VAL A 31 4.473 10.726 -0.645 1.00 0.20 H new ATOM 0 HG13 VAL A 31 5.912 9.686 -0.773 1.00 0.20 H new ATOM 0 HG21 VAL A 31 4.747 7.864 -2.961 1.00 0.22 H new ATOM 0 HG22 VAL A 31 5.589 7.238 -1.523 1.00 0.22 H new ATOM 0 HG23 VAL A 31 3.942 6.681 -1.902 1.00 0.22 H new ATOM 463 N ARG A 32 2.156 9.859 0.890 1.00 0.16 N ATOM 464 CA ARG A 32 1.570 11.008 1.562 1.00 0.19 C ATOM 465 C ARG A 32 1.471 10.788 3.070 1.00 0.18 C ATOM 466 O ARG A 32 1.900 11.630 3.861 1.00 0.23 O ATOM 467 CB ARG A 32 0.179 11.297 0.996 1.00 0.26 C ATOM 468 CG ARG A 32 0.189 12.131 -0.273 1.00 1.08 C ATOM 469 CD ARG A 32 -1.215 12.306 -0.833 1.00 1.37 C ATOM 470 NE ARG A 32 -2.187 12.679 0.198 1.00 2.21 N ATOM 471 CZ ARG A 32 -3.335 13.314 -0.045 1.00 2.78 C ATOM 472 NH1 ARG A 32 -3.607 13.777 -1.265 1.00 2.81 N ATOM 473 NH2 ARG A 32 -4.200 13.511 0.943 1.00 3.75 N ATOM 0 H ARG A 32 1.543 9.418 0.205 1.00 0.16 H new ATOM 0 HA ARG A 32 2.224 11.861 1.384 1.00 0.19 H new ATOM 0 HB2 ARG A 32 -0.323 10.351 0.793 1.00 0.26 H new ATOM 0 HB3 ARG A 32 -0.410 11.814 1.754 1.00 0.26 H new ATOM 0 HG2 ARG A 32 0.624 13.109 -0.064 1.00 1.08 H new ATOM 0 HG3 ARG A 32 0.823 11.653 -1.020 1.00 1.08 H new ATOM 0 HD2 ARG A 32 -1.201 13.072 -1.609 1.00 1.37 H new ATOM 0 HD3 ARG A 32 -1.532 11.377 -1.308 1.00 1.37 H new ATOM 0 HE ARG A 32 -1.972 12.437 1.165 1.00 2.21 H new ATOM 0 HH11 ARG A 32 -2.935 13.647 -2.021 1.00 2.81 H new ATOM 0 HH12 ARG A 32 -4.487 14.261 -1.442 1.00 2.81 H new ATOM 0 HH21 ARG A 32 -3.985 13.177 1.883 1.00 3.75 H new ATOM 0 HH22 ARG A 32 -5.079 13.996 0.762 1.00 3.75 H new ATOM 487 N ILE A 33 0.920 9.646 3.457 1.00 0.16 N ATOM 488 CA ILE A 33 0.597 9.383 4.854 1.00 0.17 C ATOM 489 C ILE A 33 1.838 9.097 5.704 1.00 0.18 C ATOM 490 O ILE A 33 2.038 9.739 6.735 1.00 0.22 O ATOM 491 CB ILE A 33 -0.420 8.232 4.979 1.00 0.21 C ATOM 492 CG1 ILE A 33 -1.699 8.617 4.233 1.00 0.30 C ATOM 493 CG2 ILE A 33 -0.724 7.924 6.441 1.00 0.21 C ATOM 494 CD1 ILE A 33 -2.822 7.622 4.391 1.00 0.80 C ATOM 0 H ILE A 33 0.686 8.884 2.821 1.00 0.16 H new ATOM 0 HA ILE A 33 0.146 10.296 5.244 1.00 0.17 H new ATOM 0 HB ILE A 33 0.005 7.331 4.537 1.00 0.21 H new ATOM 0 HG12 ILE A 33 -2.036 9.590 4.589 1.00 0.30 H new ATOM 0 HG13 ILE A 33 -1.471 8.727 3.173 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -1.444 7.108 6.499 1.00 0.21 H new ATOM 0 HG22 ILE A 33 0.195 7.634 6.950 1.00 0.21 H new ATOM 0 HG23 ILE A 33 -1.140 8.810 6.921 1.00 0.21 H new ATOM 0 HD11 ILE A 33 -3.693 7.965 3.833 1.00 0.80 H new ATOM 0 HD12 ILE A 33 -2.505 6.652 4.008 1.00 0.80 H new ATOM 0 HD13 ILE A 33 -3.080 7.529 5.446 1.00 0.80 H new ATOM 501 N ILE A 34 2.686 8.164 5.281 1.00 0.20 N ATOM 502 CA ILE A 34 3.840 7.797 6.101 1.00 0.25 C ATOM 503 C ILE A 34 5.006 8.752 5.876 1.00 0.23 C ATOM 504 O ILE A 34 5.815 8.982 6.774 1.00 0.30 O ATOM 505 CB ILE A 34 4.312 6.339 5.869 1.00 0.30 C ATOM 506 CG1 ILE A 34 4.889 6.143 4.464 1.00 0.26 C ATOM 507 CG2 ILE A 34 3.166 5.371 6.100 1.00 0.40 C ATOM 508 CD1 ILE A 34 5.413 4.741 4.218 1.00 0.34 C ATOM 0 H ILE A 34 2.602 7.659 4.399 1.00 0.20 H new ATOM 0 HA ILE A 34 3.502 7.873 7.134 1.00 0.25 H new ATOM 0 HB ILE A 34 5.107 6.135 6.586 1.00 0.30 H new ATOM 0 HG12 ILE A 34 4.118 6.369 3.728 1.00 0.26 H new ATOM 0 HG13 ILE A 34 5.697 6.857 4.308 1.00 0.26 H new ATOM 0 HG21 ILE A 34 3.512 4.351 5.933 1.00 0.40 H new ATOM 0 HG22 ILE A 34 2.807 5.470 7.125 1.00 0.40 H new ATOM 0 HG23 ILE A 34 2.354 5.596 5.408 1.00 0.40 H new ATOM 0 HD11 ILE A 34 5.807 4.672 3.204 1.00 0.34 H new ATOM 0 HD12 ILE A 34 6.207 4.519 4.931 1.00 0.34 H new ATOM 0 HD13 ILE A 34 4.603 4.023 4.342 1.00 0.34 H new ATOM 515 N GLY A 35 5.078 9.321 4.687 1.00 0.23 N ATOM 516 CA GLY A 35 6.163 10.218 4.366 1.00 0.24 C ATOM 517 C GLY A 35 6.984 9.707 3.207 1.00 0.22 C ATOM 518 O GLY A 35 7.104 8.496 3.008 1.00 0.26 O ATOM 0 H GLY A 35 4.403 9.178 3.936 1.00 0.23 H new ATOM 0 HA2 GLY A 35 5.762 11.202 4.122 1.00 0.24 H new ATOM 0 HA3 GLY A 35 6.803 10.342 5.239 1.00 0.24 H new ATOM 522 N ASN A 36 7.553 10.628 2.448 1.00 0.30 N ATOM 523 CA ASN A 36 8.329 10.288 1.259 1.00 0.34 C ATOM 524 C ASN A 36 9.532 9.408 1.591 1.00 0.27 C ATOM 525 O ASN A 36 9.812 8.444 0.879 1.00 0.27 O ATOM 526 CB ASN A 36 8.771 11.565 0.536 1.00 0.46 C ATOM 527 CG ASN A 36 9.232 12.656 1.488 1.00 0.55 C ATOM 528 OD1 ASN A 36 8.413 13.407 2.024 1.00 0.91 O ATOM 529 ND2 ASN A 36 10.532 12.767 1.694 1.00 0.71 N ATOM 0 H ASN A 36 7.493 11.629 2.634 1.00 0.30 H new ATOM 0 HA ASN A 36 7.685 9.709 0.597 1.00 0.34 H new ATOM 0 HB2 ASN A 36 9.581 11.325 -0.152 1.00 0.46 H new ATOM 0 HB3 ASN A 36 7.943 11.941 -0.065 1.00 0.46 H new ATOM 0 HD21 ASN A 36 10.890 13.493 2.315 1.00 0.71 H new ATOM 0 HD22 ASN A 36 11.178 12.127 1.232 1.00 0.71 H new ATOM 536 N LYS A 37 10.220 9.714 2.684 1.00 0.31 N ATOM 537 CA LYS A 37 11.385 8.934 3.077 1.00 0.33 C ATOM 538 C LYS A 37 10.955 7.570 3.593 1.00 0.27 C ATOM 539 O LYS A 37 11.641 6.570 3.388 1.00 0.31 O ATOM 540 CB LYS A 37 12.198 9.655 4.154 1.00 0.46 C ATOM 541 CG LYS A 37 13.452 8.894 4.565 1.00 1.24 C ATOM 542 CD LYS A 37 14.073 9.459 5.831 1.00 1.85 C ATOM 543 CE LYS A 37 13.209 9.192 7.055 1.00 2.58 C ATOM 544 NZ LYS A 37 13.066 7.736 7.344 1.00 3.19 N ATOM 0 H LYS A 37 9.994 10.489 3.308 1.00 0.31 H new ATOM 0 HA LYS A 37 12.014 8.809 2.195 1.00 0.33 H new ATOM 0 HB2 LYS A 37 12.482 10.641 3.787 1.00 0.46 H new ATOM 0 HB3 LYS A 37 11.570 9.810 5.032 1.00 0.46 H new ATOM 0 HG2 LYS A 37 13.204 7.844 4.721 1.00 1.24 H new ATOM 0 HG3 LYS A 37 14.181 8.933 3.755 1.00 1.24 H new ATOM 0 HD2 LYS A 37 15.059 9.019 5.980 1.00 1.85 H new ATOM 0 HD3 LYS A 37 14.218 10.533 5.716 1.00 1.85 H new ATOM 0 HE2 LYS A 37 13.646 9.690 7.920 1.00 2.58 H new ATOM 0 HE3 LYS A 37 12.222 9.628 6.901 1.00 2.58 H new ATOM 0 HZ1 LYS A 37 12.072 7.454 7.222 1.00 3.19 H new ATOM 0 HZ2 LYS A 37 13.663 7.192 6.689 1.00 3.19 H new ATOM 0 HZ3 LYS A 37 13.362 7.546 8.323 1.00 3.19 H new ATOM 558 N LYS A 38 9.809 7.533 4.263 1.00 0.27 N ATOM 559 CA LYS A 38 9.309 6.292 4.824 1.00 0.27 C ATOM 560 C LYS A 38 8.861 5.339 3.726 1.00 0.24 C ATOM 561 O LYS A 38 8.849 4.125 3.912 1.00 0.32 O ATOM 562 CB LYS A 38 8.181 6.546 5.818 1.00 0.36 C ATOM 563 CG LYS A 38 8.621 7.333 7.040 1.00 1.07 C ATOM 564 CD LYS A 38 7.755 7.015 8.249 1.00 1.33 C ATOM 565 CE LYS A 38 8.083 5.652 8.843 1.00 1.33 C ATOM 566 NZ LYS A 38 9.458 5.609 9.413 1.00 2.45 N ATOM 0 H LYS A 38 9.214 8.345 4.428 1.00 0.27 H new ATOM 0 HA LYS A 38 10.129 5.822 5.367 1.00 0.27 H new ATOM 0 HB2 LYS A 38 7.379 7.087 5.316 1.00 0.36 H new ATOM 0 HB3 LYS A 38 7.768 5.590 6.140 1.00 0.36 H new ATOM 0 HG2 LYS A 38 9.662 7.103 7.266 1.00 1.07 H new ATOM 0 HG3 LYS A 38 8.569 8.400 6.825 1.00 1.07 H new ATOM 0 HD2 LYS A 38 7.896 7.785 9.008 1.00 1.33 H new ATOM 0 HD3 LYS A 38 6.705 7.041 7.959 1.00 1.33 H new ATOM 0 HE2 LYS A 38 7.360 5.412 9.622 1.00 1.33 H new ATOM 0 HE3 LYS A 38 7.986 4.888 8.072 1.00 1.33 H new ATOM 0 HZ1 LYS A 38 9.672 4.642 9.730 1.00 2.45 H new ATOM 0 HZ2 LYS A 38 10.144 5.895 8.686 1.00 2.45 H new ATOM 0 HZ3 LYS A 38 9.519 6.260 10.222 1.00 2.45 H new ATOM 580 N ALA A 39 8.500 5.888 2.576 1.00 0.20 N ATOM 581 CA ALA A 39 8.200 5.066 1.415 1.00 0.22 C ATOM 582 C ALA A 39 9.475 4.386 0.926 1.00 0.24 C ATOM 583 O ALA A 39 9.457 3.235 0.491 1.00 0.29 O ATOM 584 CB ALA A 39 7.582 5.909 0.312 1.00 0.26 C ATOM 0 H ALA A 39 8.408 6.892 2.423 1.00 0.20 H new ATOM 0 HA ALA A 39 7.478 4.300 1.697 1.00 0.22 H new ATOM 0 HB1 ALA A 39 7.364 5.278 -0.549 1.00 0.26 H new ATOM 0 HB2 ALA A 39 6.659 6.361 0.674 1.00 0.26 H new ATOM 0 HB3 ALA A 39 8.280 6.694 0.019 1.00 0.26 H new ATOM 590 N ILE A 40 10.585 5.110 1.023 1.00 0.24 N ATOM 591 CA ILE A 40 11.883 4.594 0.612 1.00 0.32 C ATOM 592 C ILE A 40 12.402 3.543 1.592 1.00 0.30 C ATOM 593 O ILE A 40 12.956 2.522 1.179 1.00 0.35 O ATOM 594 CB ILE A 40 12.926 5.724 0.473 1.00 0.42 C ATOM 595 CG1 ILE A 40 12.463 6.738 -0.575 1.00 0.55 C ATOM 596 CG2 ILE A 40 14.297 5.161 0.106 1.00 0.52 C ATOM 597 CD1 ILE A 40 13.443 7.868 -0.800 1.00 1.13 C ATOM 0 H ILE A 40 10.610 6.063 1.386 1.00 0.24 H new ATOM 0 HA ILE A 40 11.738 4.128 -0.363 1.00 0.32 H new ATOM 0 HB ILE A 40 13.018 6.228 1.435 1.00 0.42 H new ATOM 0 HG12 ILE A 40 12.295 6.221 -1.520 1.00 0.55 H new ATOM 0 HG13 ILE A 40 11.505 7.156 -0.266 1.00 0.55 H new ATOM 0 HG21 ILE A 40 15.013 5.978 0.014 1.00 0.52 H new ATOM 0 HG22 ILE A 40 14.628 4.474 0.884 1.00 0.52 H new ATOM 0 HG23 ILE A 40 14.230 4.629 -0.843 1.00 0.52 H new ATOM 0 HD11 ILE A 40 13.048 8.547 -1.555 1.00 1.13 H new ATOM 0 HD12 ILE A 40 13.593 8.411 0.133 1.00 1.13 H new ATOM 0 HD13 ILE A 40 14.395 7.461 -1.140 1.00 1.13 H new ATOM 604 N GLU A 41 12.218 3.782 2.888 1.00 0.28 N ATOM 605 CA GLU A 41 12.685 2.835 3.894 1.00 0.32 C ATOM 606 C GLU A 41 11.890 1.533 3.811 1.00 0.31 C ATOM 607 O GLU A 41 12.422 0.453 4.077 1.00 0.37 O ATOM 608 CB GLU A 41 12.622 3.432 5.306 1.00 0.38 C ATOM 609 CG GLU A 41 11.227 3.810 5.768 1.00 0.79 C ATOM 610 CD GLU A 41 11.214 4.378 7.169 1.00 1.42 C ATOM 611 OE1 GLU A 41 11.277 5.615 7.312 1.00 2.10 O ATOM 612 OE2 GLU A 41 11.160 3.588 8.136 1.00 1.57 O ATOM 0 H GLU A 41 11.756 4.611 3.262 1.00 0.28 H new ATOM 0 HA GLU A 41 13.732 2.614 3.685 1.00 0.32 H new ATOM 0 HB2 GLU A 41 13.042 2.713 6.010 1.00 0.38 H new ATOM 0 HB3 GLU A 41 13.255 4.319 5.340 1.00 0.38 H new ATOM 0 HG2 GLU A 41 10.806 4.542 5.079 1.00 0.79 H new ATOM 0 HG3 GLU A 41 10.585 2.930 5.730 1.00 0.79 H new ATOM 619 N LEU A 42 10.618 1.631 3.422 1.00 0.26 N ATOM 620 CA LEU A 42 9.837 0.438 3.129 1.00 0.25 C ATOM 621 C LEU A 42 10.363 -0.209 1.855 1.00 0.24 C ATOM 622 O LEU A 42 10.523 -1.420 1.790 1.00 0.26 O ATOM 623 CB LEU A 42 8.341 0.758 2.979 1.00 0.25 C ATOM 624 CG LEU A 42 7.595 1.078 4.279 1.00 0.28 C ATOM 625 CD1 LEU A 42 6.104 1.240 4.015 1.00 0.29 C ATOM 626 CD2 LEU A 42 7.833 -0.008 5.318 1.00 0.28 C ATOM 0 H LEU A 42 10.117 2.512 3.305 1.00 0.26 H new ATOM 0 HA LEU A 42 9.941 -0.251 3.967 1.00 0.25 H new ATOM 0 HB2 LEU A 42 8.236 1.607 2.303 1.00 0.25 H new ATOM 0 HB3 LEU A 42 7.853 -0.092 2.502 1.00 0.25 H new ATOM 0 HG LEU A 42 7.982 2.019 4.670 1.00 0.28 H new ATOM 0 HD11 LEU A 42 5.591 1.467 4.950 1.00 0.29 H new ATOM 0 HD12 LEU A 42 5.946 2.054 3.308 1.00 0.29 H new ATOM 0 HD13 LEU A 42 5.706 0.315 3.598 1.00 0.29 H new ATOM 0 HD21 LEU A 42 7.294 0.239 6.233 1.00 0.28 H new ATOM 0 HD22 LEU A 42 7.476 -0.964 4.934 1.00 0.28 H new ATOM 0 HD23 LEU A 42 8.899 -0.079 5.533 1.00 0.28 H new ATOM 638 N LEU A 43 10.669 0.625 0.866 1.00 0.28 N ATOM 639 CA LEU A 43 11.183 0.177 -0.433 1.00 0.33 C ATOM 640 C LEU A 43 12.457 -0.659 -0.283 1.00 0.31 C ATOM 641 O LEU A 43 12.717 -1.568 -1.073 1.00 0.38 O ATOM 642 CB LEU A 43 11.466 1.402 -1.303 1.00 0.46 C ATOM 643 CG LEU A 43 10.709 1.493 -2.629 1.00 0.52 C ATOM 644 CD1 LEU A 43 9.226 1.200 -2.429 1.00 1.36 C ATOM 645 CD2 LEU A 43 10.908 2.881 -3.234 1.00 1.24 C ATOM 0 H LEU A 43 10.568 1.637 0.939 1.00 0.28 H new ATOM 0 HA LEU A 43 10.430 -0.456 -0.901 1.00 0.33 H new ATOM 0 HB2 LEU A 43 11.238 2.294 -0.719 1.00 0.46 H new ATOM 0 HB3 LEU A 43 12.534 1.427 -1.519 1.00 0.46 H new ATOM 0 HG LEU A 43 11.105 0.744 -3.315 1.00 0.52 H new ATOM 0 HD11 LEU A 43 8.709 1.271 -3.386 1.00 1.36 H new ATOM 0 HD12 LEU A 43 9.105 0.195 -2.025 1.00 1.36 H new ATOM 0 HD13 LEU A 43 8.803 1.924 -1.733 1.00 1.36 H new ATOM 0 HD21 LEU A 43 10.369 2.947 -4.179 1.00 1.24 H new ATOM 0 HD22 LEU A 43 10.527 3.636 -2.546 1.00 1.24 H new ATOM 0 HD23 LEU A 43 11.970 3.053 -3.410 1.00 1.24 H new ATOM 657 N MET A 44 13.259 -0.336 0.721 1.00 0.28 N ATOM 658 CA MET A 44 14.455 -1.114 1.024 1.00 0.32 C ATOM 659 C MET A 44 14.077 -2.423 1.706 1.00 0.34 C ATOM 660 O MET A 44 14.615 -3.485 1.389 1.00 0.44 O ATOM 661 CB MET A 44 15.401 -0.309 1.917 1.00 0.33 C ATOM 662 CG MET A 44 16.020 0.889 1.217 1.00 0.93 C ATOM 663 SD MET A 44 16.837 2.026 2.357 1.00 1.99 S ATOM 664 CE MET A 44 18.027 0.937 3.136 1.00 2.20 C ATOM 0 H MET A 44 13.105 0.459 1.341 1.00 0.28 H new ATOM 0 HA MET A 44 14.966 -1.342 0.088 1.00 0.32 H new ATOM 0 HB2 MET A 44 14.854 0.035 2.795 1.00 0.33 H new ATOM 0 HB3 MET A 44 16.197 -0.963 2.273 1.00 0.33 H new ATOM 0 HG2 MET A 44 16.743 0.539 0.481 1.00 0.93 H new ATOM 0 HG3 MET A 44 15.244 1.425 0.671 1.00 0.93 H new ATOM 0 HE1 MET A 44 18.734 1.528 3.719 1.00 2.20 H new ATOM 0 HE2 MET A 44 17.507 0.241 3.794 1.00 2.20 H new ATOM 0 HE3 MET A 44 18.565 0.379 2.370 1.00 2.20 H new ATOM 674 N GLU A 45 13.133 -2.339 2.633 1.00 0.32 N ATOM 675 CA GLU A 45 12.699 -3.496 3.400 1.00 0.42 C ATOM 676 C GLU A 45 11.915 -4.479 2.530 1.00 0.42 C ATOM 677 O GLU A 45 11.855 -5.671 2.836 1.00 0.53 O ATOM 678 CB GLU A 45 11.859 -3.059 4.596 1.00 0.48 C ATOM 679 CG GLU A 45 11.749 -4.131 5.666 1.00 1.12 C ATOM 680 CD GLU A 45 10.957 -3.679 6.872 1.00 1.39 C ATOM 681 OE1 GLU A 45 11.327 -2.651 7.475 1.00 1.78 O ATOM 682 OE2 GLU A 45 9.953 -4.342 7.211 1.00 1.83 O ATOM 0 H GLU A 45 12.650 -1.473 2.873 1.00 0.32 H new ATOM 0 HA GLU A 45 13.590 -4.007 3.764 1.00 0.42 H new ATOM 0 HB2 GLU A 45 12.297 -2.161 5.032 1.00 0.48 H new ATOM 0 HB3 GLU A 45 10.860 -2.792 4.253 1.00 0.48 H new ATOM 0 HG2 GLU A 45 11.278 -5.016 5.239 1.00 1.12 H new ATOM 0 HG3 GLU A 45 12.750 -4.424 5.984 1.00 1.12 H new ATOM 689 N THR A 46 11.305 -3.979 1.451 1.00 0.35 N ATOM 690 CA THR A 46 10.554 -4.833 0.530 1.00 0.42 C ATOM 691 C THR A 46 11.448 -5.956 0.009 1.00 0.52 C ATOM 692 O THR A 46 11.002 -7.088 -0.160 1.00 0.57 O ATOM 693 CB THR A 46 9.993 -4.044 -0.677 1.00 0.46 C ATOM 694 OG1 THR A 46 10.160 -2.644 -0.467 1.00 1.03 O ATOM 695 CG2 THR A 46 8.511 -4.333 -0.895 1.00 0.66 C ATOM 0 H THR A 46 11.317 -2.992 1.196 1.00 0.35 H new ATOM 0 HA THR A 46 9.714 -5.242 1.091 1.00 0.42 H new ATOM 0 HB THR A 46 10.547 -4.362 -1.560 1.00 0.46 H new ATOM 0 HG1 THR A 46 9.299 -2.191 -0.585 1.00 1.03 H new ATOM 0 HG21 THR A 46 8.151 -3.762 -1.751 1.00 0.66 H new ATOM 0 HG22 THR A 46 8.372 -5.397 -1.085 1.00 0.66 H new ATOM 0 HG23 THR A 46 7.950 -4.047 -0.006 1.00 0.66 H new ATOM 703 N ALA A 47 12.723 -5.634 -0.216 1.00 0.58 N ATOM 704 CA ALA A 47 13.695 -6.615 -0.684 1.00 0.71 C ATOM 705 C ALA A 47 13.950 -7.681 0.378 1.00 0.76 C ATOM 706 O ALA A 47 14.173 -8.851 0.063 1.00 0.88 O ATOM 707 CB ALA A 47 14.998 -5.929 -1.057 1.00 0.78 C ATOM 0 H ALA A 47 13.104 -4.698 -0.080 1.00 0.58 H new ATOM 0 HA ALA A 47 13.284 -7.103 -1.568 1.00 0.71 H new ATOM 0 HB1 ALA A 47 15.714 -6.673 -1.405 1.00 0.78 H new ATOM 0 HB2 ALA A 47 14.814 -5.204 -1.850 1.00 0.78 H new ATOM 0 HB3 ALA A 47 15.402 -5.416 -0.184 1.00 0.78 H new ATOM 713 N GLU A 48 13.907 -7.267 1.637 1.00 0.74 N ATOM 714 CA GLU A 48 14.103 -8.179 2.754 1.00 0.85 C ATOM 715 C GLU A 48 12.900 -9.100 2.893 1.00 0.78 C ATOM 716 O GLU A 48 13.041 -10.301 3.104 1.00 0.94 O ATOM 717 CB GLU A 48 14.317 -7.392 4.045 1.00 0.94 C ATOM 718 CG GLU A 48 15.510 -6.455 3.988 1.00 1.48 C ATOM 719 CD GLU A 48 15.638 -5.609 5.231 1.00 1.79 C ATOM 720 OE1 GLU A 48 15.883 -6.175 6.316 1.00 2.51 O ATOM 721 OE2 GLU A 48 15.501 -4.375 5.128 1.00 1.88 O ATOM 0 H GLU A 48 13.737 -6.299 1.911 1.00 0.74 H new ATOM 0 HA GLU A 48 14.989 -8.785 2.563 1.00 0.85 H new ATOM 0 HB2 GLU A 48 13.419 -6.813 4.262 1.00 0.94 H new ATOM 0 HB3 GLU A 48 14.452 -8.091 4.870 1.00 0.94 H new ATOM 0 HG2 GLU A 48 16.421 -7.039 3.854 1.00 1.48 H new ATOM 0 HG3 GLU A 48 15.417 -5.805 3.118 1.00 1.48 H new ATOM 728 N VAL A 49 11.715 -8.530 2.759 1.00 0.60 N ATOM 729 CA VAL A 49 10.488 -9.310 2.789 1.00 0.55 C ATOM 730 C VAL A 49 10.426 -10.225 1.567 1.00 0.65 C ATOM 731 O VAL A 49 9.905 -11.344 1.631 1.00 0.76 O ATOM 732 CB VAL A 49 9.245 -8.397 2.837 1.00 0.47 C ATOM 733 CG1 VAL A 49 7.970 -9.214 2.853 1.00 0.57 C ATOM 734 CG2 VAL A 49 9.302 -7.494 4.056 1.00 0.59 C ATOM 0 H VAL A 49 11.575 -7.528 2.628 1.00 0.60 H new ATOM 0 HA VAL A 49 10.491 -9.917 3.694 1.00 0.55 H new ATOM 0 HB VAL A 49 9.244 -7.781 1.938 1.00 0.47 H new ATOM 0 HG11 VAL A 49 7.110 -8.545 2.887 1.00 0.57 H new ATOM 0 HG12 VAL A 49 7.919 -9.826 1.952 1.00 0.57 H new ATOM 0 HG13 VAL A 49 7.963 -9.860 3.731 1.00 0.57 H new ATOM 0 HG21 VAL A 49 8.419 -6.855 4.077 1.00 0.59 H new ATOM 0 HG22 VAL A 49 9.331 -8.103 4.959 1.00 0.59 H new ATOM 0 HG23 VAL A 49 10.197 -6.874 4.008 1.00 0.59 H new ATOM 738 N GLU A 50 10.976 -9.739 0.461 1.00 0.70 N ATOM 739 CA GLU A 50 11.086 -10.521 -0.760 1.00 0.91 C ATOM 740 C GLU A 50 11.953 -11.750 -0.506 1.00 1.07 C ATOM 741 O GLU A 50 11.534 -12.875 -0.772 1.00 1.22 O ATOM 742 CB GLU A 50 11.691 -9.660 -1.879 1.00 1.03 C ATOM 743 CG GLU A 50 11.322 -10.088 -3.297 1.00 1.14 C ATOM 744 CD GLU A 50 11.933 -11.413 -3.716 1.00 1.46 C ATOM 745 OE1 GLU A 50 11.176 -12.342 -4.056 1.00 1.81 O ATOM 746 OE2 GLU A 50 13.175 -11.533 -3.685 1.00 1.96 O ATOM 0 H GLU A 50 11.356 -8.795 0.387 1.00 0.70 H new ATOM 0 HA GLU A 50 10.094 -10.848 -1.071 1.00 0.91 H new ATOM 0 HB2 GLU A 50 11.373 -8.627 -1.734 1.00 1.03 H new ATOM 0 HB3 GLU A 50 12.777 -9.676 -1.782 1.00 1.03 H new ATOM 0 HG2 GLU A 50 10.237 -10.158 -3.374 1.00 1.14 H new ATOM 0 HG3 GLU A 50 11.642 -9.314 -3.995 1.00 1.14 H new ATOM 753 N GLN A 51 13.139 -11.536 0.061 1.00 1.10 N ATOM 754 CA GLN A 51 14.085 -12.626 0.291 1.00 1.31 C ATOM 755 C GLN A 51 13.532 -13.640 1.300 1.00 1.39 C ATOM 756 O GLN A 51 14.007 -14.772 1.382 1.00 1.61 O ATOM 757 CB GLN A 51 15.439 -12.079 0.774 1.00 1.34 C ATOM 758 CG GLN A 51 15.509 -11.822 2.269 1.00 1.24 C ATOM 759 CD GLN A 51 16.771 -11.090 2.684 1.00 1.70 C ATOM 760 OE1 GLN A 51 17.805 -11.180 2.026 1.00 2.25 O ATOM 761 NE2 GLN A 51 16.702 -10.381 3.796 1.00 2.01 N ATOM 0 H GLN A 51 13.467 -10.621 0.369 1.00 1.10 H new ATOM 0 HA GLN A 51 14.234 -13.139 -0.659 1.00 1.31 H new ATOM 0 HB2 GLN A 51 16.222 -12.786 0.501 1.00 1.34 H new ATOM 0 HB3 GLN A 51 15.652 -11.149 0.246 1.00 1.34 H new ATOM 0 HG2 GLN A 51 14.640 -11.239 2.573 1.00 1.24 H new ATOM 0 HG3 GLN A 51 15.456 -12.773 2.799 1.00 1.24 H new ATOM 0 HE21 GLN A 51 15.825 -10.330 4.315 1.00 2.01 H new ATOM 0 HE22 GLN A 51 17.525 -9.884 4.136 1.00 2.01 H new ATOM 770 N ASN A 52 12.524 -13.228 2.066 1.00 1.22 N ATOM 771 CA ASN A 52 11.916 -14.102 3.067 1.00 1.34 C ATOM 772 C ASN A 52 10.628 -14.734 2.555 1.00 1.34 C ATOM 773 O ASN A 52 10.057 -15.606 3.206 1.00 1.53 O ATOM 774 CB ASN A 52 11.630 -13.338 4.365 1.00 1.26 C ATOM 775 CG ASN A 52 12.857 -13.183 5.242 1.00 1.72 C ATOM 776 OD1 ASN A 52 13.140 -14.032 6.086 1.00 2.34 O ATOM 777 ND2 ASN A 52 13.583 -12.093 5.059 1.00 2.03 N ATOM 0 H ASN A 52 12.112 -12.297 2.013 1.00 1.22 H new ATOM 0 HA ASN A 52 12.634 -14.896 3.270 1.00 1.34 H new ATOM 0 HB2 ASN A 52 11.238 -12.351 4.121 1.00 1.26 H new ATOM 0 HB3 ASN A 52 10.854 -13.860 4.924 1.00 1.26 H new ATOM 0 HD21 ASN A 52 14.413 -11.931 5.629 1.00 2.03 H new ATOM 0 HD22 ASN A 52 13.313 -11.414 4.348 1.00 2.03 H new ATOM 784 N GLY A 53 10.178 -14.286 1.388 1.00 1.22 N ATOM 785 CA GLY A 53 8.963 -14.821 0.794 1.00 1.33 C ATOM 786 C GLY A 53 7.721 -14.514 1.615 1.00 0.94 C ATOM 787 O GLY A 53 6.795 -15.323 1.675 1.00 1.13 O ATOM 0 H GLY A 53 10.635 -13.558 0.839 1.00 1.22 H new ATOM 0 HA2 GLY A 53 8.842 -14.409 -0.208 1.00 1.33 H new ATOM 0 HA3 GLY A 53 9.063 -15.901 0.684 1.00 1.33 H new ATOM 791 N GLY A 54 7.689 -13.340 2.233 1.00 0.62 N ATOM 792 CA GLY A 54 6.596 -13.006 3.130 1.00 0.72 C ATOM 793 C GLY A 54 5.505 -12.174 2.482 1.00 0.50 C ATOM 794 O GLY A 54 5.722 -11.010 2.163 1.00 0.89 O ATOM 0 H GLY A 54 8.398 -12.614 2.130 1.00 0.62 H new ATOM 0 HA2 GLY A 54 6.158 -13.928 3.513 1.00 0.72 H new ATOM 0 HA3 GLY A 54 6.994 -12.462 3.987 1.00 0.72 H new ATOM 798 N LEU A 55 4.340 -12.782 2.262 1.00 0.68 N ATOM 799 CA LEU A 55 3.142 -12.041 1.857 1.00 0.60 C ATOM 800 C LEU A 55 1.943 -12.968 1.752 1.00 0.60 C ATOM 801 O LEU A 55 1.972 -13.968 1.032 1.00 0.63 O ATOM 802 CB LEU A 55 3.353 -11.317 0.510 1.00 0.64 C ATOM 803 CG LEU A 55 2.196 -10.451 -0.011 1.00 0.65 C ATOM 804 CD1 LEU A 55 1.199 -11.282 -0.802 1.00 1.38 C ATOM 805 CD2 LEU A 55 1.499 -9.738 1.136 1.00 1.19 C ATOM 0 H LEU A 55 4.198 -13.788 2.357 1.00 0.68 H new ATOM 0 HA LEU A 55 2.951 -11.293 2.627 1.00 0.60 H new ATOM 0 HB2 LEU A 55 4.235 -10.683 0.602 1.00 0.64 H new ATOM 0 HB3 LEU A 55 3.579 -12.069 -0.246 1.00 0.64 H new ATOM 0 HG LEU A 55 2.618 -9.702 -0.681 1.00 0.65 H new ATOM 0 HD11 LEU A 55 0.392 -10.641 -1.157 1.00 1.38 H new ATOM 0 HD12 LEU A 55 1.702 -11.739 -1.654 1.00 1.38 H new ATOM 0 HD13 LEU A 55 0.787 -12.063 -0.162 1.00 1.38 H new ATOM 0 HD21 LEU A 55 0.683 -9.130 0.745 1.00 1.19 H new ATOM 0 HD22 LEU A 55 1.101 -10.474 1.834 1.00 1.19 H new ATOM 0 HD23 LEU A 55 2.213 -9.097 1.653 1.00 1.19 H new ATOM 817 N PHE A 56 0.899 -12.618 2.476 1.00 0.62 N ATOM 818 CA PHE A 56 -0.421 -13.175 2.269 1.00 0.66 C ATOM 819 C PHE A 56 -1.395 -12.024 2.074 1.00 0.63 C ATOM 820 O PHE A 56 -1.773 -11.364 3.037 1.00 0.71 O ATOM 821 CB PHE A 56 -0.845 -14.050 3.452 1.00 0.78 C ATOM 822 CG PHE A 56 -0.009 -15.288 3.607 1.00 1.13 C ATOM 823 CD1 PHE A 56 1.103 -15.288 4.433 1.00 2.02 C ATOM 824 CD2 PHE A 56 -0.337 -16.453 2.931 1.00 1.07 C ATOM 825 CE1 PHE A 56 1.870 -16.424 4.585 1.00 2.87 C ATOM 826 CE2 PHE A 56 0.428 -17.593 3.078 1.00 1.81 C ATOM 827 CZ PHE A 56 1.541 -17.576 3.879 1.00 2.74 C ATOM 0 H PHE A 56 0.944 -11.933 3.231 1.00 0.62 H new ATOM 0 HA PHE A 56 -0.415 -13.815 1.386 1.00 0.66 H new ATOM 0 HB2 PHE A 56 -0.785 -13.463 4.368 1.00 0.78 H new ATOM 0 HB3 PHE A 56 -1.889 -14.338 3.326 1.00 0.78 H new ATOM 0 HD1 PHE A 56 1.373 -14.387 4.964 1.00 2.02 H new ATOM 0 HD2 PHE A 56 -1.200 -16.469 2.282 1.00 1.07 H new ATOM 0 HE1 PHE A 56 2.722 -16.419 5.249 1.00 2.87 H new ATOM 0 HE2 PHE A 56 0.149 -18.500 2.561 1.00 1.81 H new ATOM 0 HZ PHE A 56 2.161 -18.456 3.961 1.00 2.74 H new ATOM 837 N ILE A 57 -1.750 -11.752 0.825 1.00 0.57 N ATOM 838 CA ILE A 57 -2.624 -10.624 0.506 1.00 0.53 C ATOM 839 C ILE A 57 -4.057 -10.876 0.935 1.00 0.58 C ATOM 840 O ILE A 57 -4.366 -11.911 1.522 1.00 0.68 O ATOM 841 CB ILE A 57 -2.619 -10.286 -0.999 1.00 0.51 C ATOM 842 CG1 ILE A 57 -2.442 -11.550 -1.833 1.00 0.53 C ATOM 843 CG2 ILE A 57 -1.567 -9.243 -1.334 1.00 0.52 C ATOM 844 CD1 ILE A 57 -2.160 -11.267 -3.284 1.00 0.61 C ATOM 0 H ILE A 57 -1.448 -12.294 0.016 1.00 0.57 H new ATOM 0 HA ILE A 57 -2.220 -9.779 1.064 1.00 0.53 H new ATOM 0 HB ILE A 57 -3.587 -9.852 -1.249 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -1.624 -12.140 -1.419 1.00 0.53 H new ATOM 0 HG13 ILE A 57 -3.344 -12.158 -1.756 1.00 0.53 H new ATOM 0 HG21 ILE A 57 -1.593 -9.030 -2.403 1.00 0.52 H new ATOM 0 HG22 ILE A 57 -1.771 -8.329 -0.777 1.00 0.52 H new ATOM 0 HG23 ILE A 57 -0.581 -9.621 -1.063 1.00 0.52 H new ATOM 0 HD11 ILE A 57 -2.044 -12.208 -3.822 1.00 0.61 H new ATOM 0 HD12 ILE A 57 -2.989 -10.703 -3.712 1.00 0.61 H new ATOM 0 HD13 ILE A 57 -1.242 -10.685 -3.370 1.00 0.61 H new ATOM 851 N MET A 58 -4.919 -9.919 0.600 1.00 0.56 N ATOM 852 CA MET A 58 -6.341 -9.967 0.932 1.00 0.61 C ATOM 853 C MET A 58 -6.945 -11.368 0.740 1.00 0.70 C ATOM 854 O MET A 58 -7.679 -11.855 1.598 1.00 0.79 O ATOM 855 CB MET A 58 -7.108 -8.953 0.078 1.00 0.75 C ATOM 856 CG MET A 58 -6.424 -8.594 -1.239 1.00 0.60 C ATOM 857 SD MET A 58 -7.569 -7.898 -2.445 1.00 0.77 S ATOM 858 CE MET A 58 -7.586 -6.194 -1.908 1.00 0.91 C ATOM 0 H MET A 58 -4.648 -9.081 0.086 1.00 0.56 H new ATOM 0 HA MET A 58 -6.434 -9.716 1.989 1.00 0.61 H new ATOM 0 HB2 MET A 58 -8.098 -9.353 -0.138 1.00 0.75 H new ATOM 0 HB3 MET A 58 -7.252 -8.042 0.659 1.00 0.75 H new ATOM 0 HG2 MET A 58 -5.625 -7.878 -1.046 1.00 0.60 H new ATOM 0 HG3 MET A 58 -5.958 -9.486 -1.658 1.00 0.60 H new ATOM 0 HE1 MET A 58 -8.250 -5.617 -2.551 1.00 0.91 H new ATOM 0 HE2 MET A 58 -7.940 -6.140 -0.879 1.00 0.91 H new ATOM 0 HE3 MET A 58 -6.578 -5.784 -1.967 1.00 0.91 H new ATOM 868 N ASN A 59 -6.638 -12.014 -0.387 1.00 0.78 N ATOM 869 CA ASN A 59 -7.178 -13.354 -0.658 1.00 0.98 C ATOM 870 C ASN A 59 -6.215 -14.474 -0.235 1.00 0.95 C ATOM 871 O ASN A 59 -6.648 -15.535 0.216 1.00 1.12 O ATOM 872 CB ASN A 59 -7.572 -13.513 -2.142 1.00 1.17 C ATOM 873 CG ASN A 59 -6.397 -13.629 -3.113 1.00 1.50 C ATOM 874 OD1 ASN A 59 -6.479 -14.333 -4.112 1.00 2.28 O ATOM 875 ND2 ASN A 59 -5.311 -12.922 -2.855 1.00 1.66 N ATOM 0 H ASN A 59 -6.030 -11.642 -1.117 1.00 0.78 H new ATOM 0 HA ASN A 59 -8.076 -13.451 -0.048 1.00 0.98 H new ATOM 0 HB2 ASN A 59 -8.197 -14.400 -2.243 1.00 1.17 H new ATOM 0 HB3 ASN A 59 -8.182 -12.658 -2.434 1.00 1.17 H new ATOM 0 HD21 ASN A 59 -4.517 -12.955 -3.494 1.00 1.66 H new ATOM 0 HD22 ASN A 59 -5.267 -12.343 -2.016 1.00 1.66 H new ATOM 882 N GLY A 60 -4.914 -14.239 -0.379 1.00 0.86 N ATOM 883 CA GLY A 60 -3.916 -15.244 -0.028 1.00 0.96 C ATOM 884 C GLY A 60 -3.652 -16.242 -1.146 1.00 1.09 C ATOM 885 O GLY A 60 -2.638 -16.940 -1.127 1.00 1.21 O ATOM 0 H GLY A 60 -4.527 -13.365 -0.735 1.00 0.86 H new ATOM 0 HA2 GLY A 60 -2.983 -14.745 0.232 1.00 0.96 H new ATOM 0 HA3 GLY A 60 -4.248 -15.782 0.860 1.00 0.96 H new ATOM 889 N SER A 61 -4.562 -16.308 -2.115 1.00 1.15 N ATOM 890 CA SER A 61 -4.447 -17.250 -3.224 1.00 1.32 C ATOM 891 C SER A 61 -3.220 -16.959 -4.087 1.00 1.22 C ATOM 892 O SER A 61 -2.365 -17.822 -4.273 1.00 1.35 O ATOM 893 CB SER A 61 -5.712 -17.199 -4.076 1.00 1.51 C ATOM 894 OG SER A 61 -6.851 -17.586 -3.319 1.00 2.18 O ATOM 0 H SER A 61 -5.392 -15.716 -2.154 1.00 1.15 H new ATOM 0 HA SER A 61 -4.327 -18.250 -2.806 1.00 1.32 H new ATOM 0 HB2 SER A 61 -5.854 -16.190 -4.463 1.00 1.51 H new ATOM 0 HB3 SER A 61 -5.602 -17.858 -4.937 1.00 1.51 H new ATOM 0 HG SER A 61 -7.650 -17.544 -3.885 1.00 2.18 H new ATOM 900 N ARG A 62 -3.140 -15.747 -4.622 1.00 1.08 N ATOM 901 CA ARG A 62 -1.958 -15.331 -5.360 1.00 1.05 C ATOM 902 C ARG A 62 -0.892 -14.885 -4.372 1.00 1.03 C ATOM 903 O ARG A 62 -0.728 -13.698 -4.100 1.00 1.46 O ATOM 904 CB ARG A 62 -2.294 -14.198 -6.326 1.00 1.14 C ATOM 905 CG ARG A 62 -1.119 -13.770 -7.190 1.00 1.69 C ATOM 906 CD ARG A 62 -1.459 -12.541 -8.000 1.00 1.79 C ATOM 907 NE ARG A 62 -0.342 -12.078 -8.819 1.00 2.06 N ATOM 908 CZ ARG A 62 -0.463 -11.167 -9.782 1.00 2.25 C ATOM 909 NH1 ARG A 62 -1.657 -10.662 -10.082 1.00 2.23 N ATOM 910 NH2 ARG A 62 0.603 -10.764 -10.456 1.00 2.89 N ATOM 0 H ARG A 62 -3.874 -15.041 -4.559 1.00 1.08 H new ATOM 0 HA ARG A 62 -1.586 -16.171 -5.947 1.00 1.05 H new ATOM 0 HB2 ARG A 62 -3.114 -14.513 -6.972 1.00 1.14 H new ATOM 0 HB3 ARG A 62 -2.648 -13.339 -5.757 1.00 1.14 H new ATOM 0 HG2 ARG A 62 -0.255 -13.565 -6.558 1.00 1.69 H new ATOM 0 HG3 ARG A 62 -0.840 -14.584 -7.859 1.00 1.69 H new ATOM 0 HD2 ARG A 62 -2.310 -12.760 -8.645 1.00 1.79 H new ATOM 0 HD3 ARG A 62 -1.766 -11.741 -7.327 1.00 1.79 H new ATOM 0 HE ARG A 62 0.581 -12.474 -8.644 1.00 2.06 H new ATOM 0 HH11 ARG A 62 -2.485 -10.973 -9.573 1.00 2.23 H new ATOM 0 HH12 ARG A 62 -1.745 -9.964 -10.821 1.00 2.23 H new ATOM 0 HH21 ARG A 62 1.521 -11.152 -10.238 1.00 2.89 H new ATOM 0 HH22 ARG A 62 0.506 -10.066 -11.193 1.00 2.89 H new ATOM 924 N ARG A 63 -0.185 -15.846 -3.822 1.00 0.89 N ATOM 925 CA ARG A 63 0.761 -15.581 -2.758 1.00 0.87 C ATOM 926 C ARG A 63 1.990 -14.846 -3.284 1.00 0.75 C ATOM 927 O ARG A 63 2.612 -15.267 -4.260 1.00 0.75 O ATOM 928 CB ARG A 63 1.165 -16.891 -2.082 1.00 0.98 C ATOM 929 CG ARG A 63 1.892 -16.696 -0.762 1.00 1.56 C ATOM 930 CD ARG A 63 2.092 -18.019 -0.038 1.00 1.54 C ATOM 931 NE ARG A 63 3.058 -18.885 -0.717 1.00 2.34 N ATOM 932 CZ ARG A 63 3.586 -19.989 -0.180 1.00 2.60 C ATOM 933 NH1 ARG A 63 3.195 -20.407 1.019 1.00 2.07 N ATOM 934 NH2 ARG A 63 4.500 -20.679 -0.853 1.00 3.59 N ATOM 0 H ARG A 63 -0.247 -16.827 -4.096 1.00 0.89 H new ATOM 0 HA ARG A 63 0.280 -14.936 -2.022 1.00 0.87 H new ATOM 0 HB2 ARG A 63 0.272 -17.492 -1.910 1.00 0.98 H new ATOM 0 HB3 ARG A 63 1.804 -17.457 -2.759 1.00 0.98 H new ATOM 0 HG2 ARG A 63 2.860 -16.229 -0.944 1.00 1.56 H new ATOM 0 HG3 ARG A 63 1.323 -16.015 -0.129 1.00 1.56 H new ATOM 0 HD2 ARG A 63 2.433 -17.826 0.979 1.00 1.54 H new ATOM 0 HD3 ARG A 63 1.136 -18.536 0.039 1.00 1.54 H new ATOM 0 HE ARG A 63 3.347 -18.629 -1.661 1.00 2.34 H new ATOM 0 HH11 ARG A 63 2.488 -19.884 1.536 1.00 2.07 H new ATOM 0 HH12 ARG A 63 3.602 -21.250 1.423 1.00 2.07 H new ATOM 0 HH21 ARG A 63 4.797 -20.366 -1.777 1.00 3.59 H new ATOM 0 HH22 ARG A 63 4.905 -21.522 -0.446 1.00 3.59 H new ATOM 948 N ARG A 64 2.297 -13.724 -2.640 1.00 0.70 N ATOM 949 CA ARG A 64 3.521 -12.967 -2.893 1.00 0.62 C ATOM 950 C ARG A 64 3.541 -12.269 -4.249 1.00 0.57 C ATOM 951 O ARG A 64 4.443 -12.474 -5.061 1.00 0.77 O ATOM 952 CB ARG A 64 4.746 -13.855 -2.706 1.00 0.71 C ATOM 953 CG ARG A 64 5.274 -13.799 -1.294 1.00 0.77 C ATOM 954 CD ARG A 64 5.890 -12.442 -1.023 1.00 0.75 C ATOM 955 NE ARG A 64 7.345 -12.501 -1.117 1.00 1.06 N ATOM 956 CZ ARG A 64 8.028 -12.409 -2.259 1.00 1.34 C ATOM 957 NH1 ARG A 64 7.412 -12.113 -3.399 1.00 1.98 N ATOM 958 NH2 ARG A 64 9.331 -12.611 -2.261 1.00 1.56 N ATOM 0 H ARG A 64 1.700 -13.311 -1.923 1.00 0.70 H new ATOM 0 HA ARG A 64 3.547 -12.166 -2.154 1.00 0.62 H new ATOM 0 HB2 ARG A 64 4.489 -14.884 -2.957 1.00 0.71 H new ATOM 0 HB3 ARG A 64 5.528 -13.544 -3.398 1.00 0.71 H new ATOM 0 HG2 ARG A 64 4.466 -13.988 -0.587 1.00 0.77 H new ATOM 0 HG3 ARG A 64 6.018 -14.581 -1.144 1.00 0.77 H new ATOM 0 HD2 ARG A 64 5.505 -11.714 -1.737 1.00 0.75 H new ATOM 0 HD3 ARG A 64 5.600 -12.098 -0.030 1.00 0.75 H new ATOM 0 HE ARG A 64 7.874 -12.620 -0.253 1.00 1.06 H new ATOM 0 HH11 ARG A 64 6.405 -11.953 -3.408 1.00 1.98 H new ATOM 0 HH12 ARG A 64 7.947 -12.046 -4.265 1.00 1.98 H new ATOM 0 HH21 ARG A 64 9.813 -12.837 -1.391 1.00 1.56 H new ATOM 0 HH22 ARG A 64 9.857 -12.541 -3.132 1.00 1.56 H new ATOM 972 N THR A 65 2.551 -11.421 -4.460 1.00 0.44 N ATOM 973 CA THR A 65 2.538 -10.508 -5.592 1.00 0.40 C ATOM 974 C THR A 65 3.456 -9.318 -5.289 1.00 0.35 C ATOM 975 O THR A 65 3.518 -8.882 -4.144 1.00 0.33 O ATOM 976 CB THR A 65 1.093 -10.023 -5.863 1.00 0.40 C ATOM 977 OG1 THR A 65 1.069 -9.013 -6.875 1.00 0.41 O ATOM 978 CG2 THR A 65 0.458 -9.486 -4.586 1.00 0.40 C ATOM 0 H THR A 65 1.734 -11.345 -3.854 1.00 0.44 H new ATOM 0 HA THR A 65 2.900 -11.021 -6.483 1.00 0.40 H new ATOM 0 HB THR A 65 0.518 -10.880 -6.214 1.00 0.40 H new ATOM 0 HG1 THR A 65 0.145 -8.725 -7.028 1.00 0.41 H new ATOM 0 HG21 THR A 65 -0.557 -9.150 -4.798 1.00 0.40 H new ATOM 0 HG22 THR A 65 0.430 -10.275 -3.834 1.00 0.40 H new ATOM 0 HG23 THR A 65 1.046 -8.648 -4.211 1.00 0.40 H new ATOM 986 N PRO A 66 4.183 -8.788 -6.298 1.00 0.36 N ATOM 987 CA PRO A 66 5.190 -7.710 -6.123 1.00 0.35 C ATOM 988 C PRO A 66 4.701 -6.558 -5.255 1.00 0.27 C ATOM 989 O PRO A 66 5.281 -6.284 -4.204 1.00 0.26 O ATOM 990 CB PRO A 66 5.429 -7.222 -7.565 1.00 0.42 C ATOM 991 CG PRO A 66 4.329 -7.841 -8.365 1.00 0.44 C ATOM 992 CD PRO A 66 4.070 -9.158 -7.709 1.00 0.43 C ATOM 0 HA PRO A 66 6.081 -8.077 -5.613 1.00 0.35 H new ATOM 0 HB2 PRO A 66 5.398 -6.134 -7.625 1.00 0.42 H new ATOM 0 HB3 PRO A 66 6.407 -7.533 -7.931 1.00 0.42 H new ATOM 0 HG2 PRO A 66 3.437 -7.215 -8.360 1.00 0.44 H new ATOM 0 HG3 PRO A 66 4.622 -7.970 -9.407 1.00 0.44 H new ATOM 0 HD2 PRO A 66 3.085 -9.555 -7.954 1.00 0.43 H new ATOM 0 HD3 PRO A 66 4.800 -9.914 -7.998 1.00 0.43 H new ATOM 1000 N GLY A 67 3.623 -5.911 -5.672 1.00 0.25 N ATOM 1001 CA GLY A 67 3.083 -4.817 -4.897 1.00 0.21 C ATOM 1002 C GLY A 67 2.501 -5.302 -3.599 1.00 0.20 C ATOM 1003 O GLY A 67 2.588 -4.633 -2.574 1.00 0.23 O ATOM 0 H GLY A 67 3.115 -6.124 -6.530 1.00 0.25 H new ATOM 0 HA2 GLY A 67 3.868 -4.088 -4.696 1.00 0.21 H new ATOM 0 HA3 GLY A 67 2.313 -4.305 -5.474 1.00 0.21 H new ATOM 1007 N GLY A 68 1.929 -6.491 -3.654 1.00 0.23 N ATOM 1008 CA GLY A 68 1.378 -7.118 -2.478 1.00 0.28 C ATOM 1009 C GLY A 68 2.404 -7.257 -1.372 1.00 0.27 C ATOM 1010 O GLY A 68 2.089 -7.066 -0.200 1.00 0.30 O ATOM 0 H GLY A 68 1.836 -7.040 -4.508 1.00 0.23 H new ATOM 0 HA2 GLY A 68 0.534 -6.531 -2.117 1.00 0.28 H new ATOM 0 HA3 GLY A 68 0.992 -8.103 -2.740 1.00 0.28 H new ATOM 1014 N VAL A 69 3.638 -7.577 -1.752 1.00 0.27 N ATOM 1015 CA VAL A 69 4.735 -7.703 -0.797 1.00 0.27 C ATOM 1016 C VAL A 69 4.945 -6.386 -0.060 1.00 0.24 C ATOM 1017 O VAL A 69 5.174 -6.363 1.148 1.00 0.23 O ATOM 1018 CB VAL A 69 6.053 -8.104 -1.489 1.00 0.31 C ATOM 1019 CG1 VAL A 69 7.122 -8.407 -0.468 1.00 0.64 C ATOM 1020 CG2 VAL A 69 5.851 -9.303 -2.386 1.00 0.74 C ATOM 0 H VAL A 69 3.904 -7.755 -2.720 1.00 0.27 H new ATOM 0 HA VAL A 69 4.461 -8.488 -0.093 1.00 0.27 H new ATOM 0 HB VAL A 69 6.375 -7.261 -2.100 1.00 0.31 H new ATOM 0 HG11 VAL A 69 8.043 -8.688 -0.978 1.00 0.64 H new ATOM 0 HG12 VAL A 69 7.301 -7.523 0.144 1.00 0.64 H new ATOM 0 HG13 VAL A 69 6.795 -9.229 0.168 1.00 0.64 H new ATOM 0 HG21 VAL A 69 6.796 -9.565 -2.862 1.00 0.74 H new ATOM 0 HG22 VAL A 69 5.498 -10.146 -1.792 1.00 0.74 H new ATOM 0 HG23 VAL A 69 5.113 -9.064 -3.152 1.00 0.74 H new ATOM 1024 N PHE A 70 4.864 -5.292 -0.804 1.00 0.22 N ATOM 1025 CA PHE A 70 4.943 -3.967 -0.218 1.00 0.20 C ATOM 1026 C PHE A 70 3.741 -3.710 0.684 1.00 0.20 C ATOM 1027 O PHE A 70 3.869 -3.056 1.715 1.00 0.20 O ATOM 1028 CB PHE A 70 5.043 -2.892 -1.305 1.00 0.22 C ATOM 1029 CG PHE A 70 4.905 -1.491 -0.781 1.00 0.20 C ATOM 1030 CD1 PHE A 70 3.657 -0.927 -0.552 1.00 0.23 C ATOM 1031 CD2 PHE A 70 6.034 -0.728 -0.545 1.00 0.21 C ATOM 1032 CE1 PHE A 70 3.548 0.369 -0.099 1.00 0.26 C ATOM 1033 CE2 PHE A 70 5.933 0.562 -0.093 1.00 0.24 C ATOM 1034 CZ PHE A 70 4.617 1.067 0.239 1.00 0.25 C ATOM 0 H PHE A 70 4.743 -5.299 -1.817 1.00 0.22 H new ATOM 0 HA PHE A 70 5.847 -3.917 0.389 1.00 0.20 H new ATOM 0 HB2 PHE A 70 6.003 -2.988 -1.812 1.00 0.22 H new ATOM 0 HB3 PHE A 70 4.269 -3.069 -2.052 1.00 0.22 H new ATOM 0 HD1 PHE A 70 2.765 -1.509 -0.730 1.00 0.23 H new ATOM 0 HD2 PHE A 70 7.010 -1.155 -0.720 1.00 0.21 H new ATOM 0 HE1 PHE A 70 2.571 0.823 -0.019 1.00 0.26 H new ATOM 0 HE2 PHE A 70 6.810 1.184 0.013 1.00 0.24 H new ATOM 0 HZ PHE A 70 4.511 2.007 0.759 1.00 0.25 H new ATOM 1044 N LEU A 71 2.568 -4.203 0.298 1.00 0.21 N ATOM 1045 CA LEU A 71 1.391 -4.053 1.149 1.00 0.24 C ATOM 1046 C LEU A 71 1.685 -4.681 2.508 1.00 0.24 C ATOM 1047 O LEU A 71 1.278 -4.164 3.546 1.00 0.26 O ATOM 1048 CB LEU A 71 0.125 -4.707 0.559 1.00 0.31 C ATOM 1049 CG LEU A 71 -0.484 -4.112 -0.727 1.00 0.28 C ATOM 1050 CD1 LEU A 71 -1.883 -3.596 -0.461 1.00 0.32 C ATOM 1051 CD2 LEU A 71 0.378 -3.004 -1.291 1.00 0.30 C ATOM 0 H LEU A 71 2.407 -4.699 -0.578 1.00 0.21 H new ATOM 0 HA LEU A 71 1.189 -2.985 1.234 1.00 0.24 H new ATOM 0 HB2 LEU A 71 0.355 -5.754 0.362 1.00 0.31 H new ATOM 0 HB3 LEU A 71 -0.646 -4.689 1.329 1.00 0.31 H new ATOM 0 HG LEU A 71 -0.532 -4.911 -1.467 1.00 0.28 H new ATOM 0 HD11 LEU A 71 -2.298 -3.180 -1.379 1.00 0.32 H new ATOM 0 HD12 LEU A 71 -2.514 -4.416 -0.117 1.00 0.32 H new ATOM 0 HD13 LEU A 71 -1.846 -2.821 0.304 1.00 0.32 H new ATOM 0 HD21 LEU A 71 -0.083 -2.609 -2.196 1.00 0.30 H new ATOM 0 HD22 LEU A 71 0.473 -2.206 -0.555 1.00 0.30 H new ATOM 0 HD23 LEU A 71 1.366 -3.397 -1.529 1.00 0.30 H new ATOM 1063 N ASN A 72 2.429 -5.791 2.479 1.00 0.24 N ATOM 1064 CA ASN A 72 2.834 -6.501 3.692 1.00 0.27 C ATOM 1065 C ASN A 72 3.729 -5.614 4.560 1.00 0.26 C ATOM 1066 O ASN A 72 3.765 -5.755 5.779 1.00 0.34 O ATOM 1067 CB ASN A 72 3.575 -7.800 3.343 1.00 0.31 C ATOM 1068 CG ASN A 72 3.741 -8.719 4.541 1.00 0.46 C ATOM 1069 OD1 ASN A 72 2.915 -8.730 5.456 1.00 1.08 O ATOM 1070 ND2 ASN A 72 4.803 -9.507 4.534 1.00 0.67 N ATOM 0 H ASN A 72 2.765 -6.220 1.617 1.00 0.24 H new ATOM 0 HA ASN A 72 1.932 -6.751 4.250 1.00 0.27 H new ATOM 0 HB2 ASN A 72 3.029 -8.326 2.560 1.00 0.31 H new ATOM 0 HB3 ASN A 72 4.557 -7.556 2.938 1.00 0.31 H new ATOM 0 HD21 ASN A 72 4.962 -10.155 5.305 1.00 0.67 H new ATOM 0 HD22 ASN A 72 5.463 -9.467 3.757 1.00 0.67 H new ATOM 1077 N LEU A 73 4.440 -4.690 3.917 1.00 0.23 N ATOM 1078 CA LEU A 73 5.334 -3.764 4.614 1.00 0.25 C ATOM 1079 C LEU A 73 4.596 -2.944 5.649 1.00 0.36 C ATOM 1080 O LEU A 73 5.135 -2.628 6.705 1.00 0.46 O ATOM 1081 CB LEU A 73 5.995 -2.820 3.621 1.00 0.23 C ATOM 1082 CG LEU A 73 7.103 -3.445 2.801 1.00 0.20 C ATOM 1083 CD1 LEU A 73 7.660 -2.437 1.820 1.00 0.35 C ATOM 1084 CD2 LEU A 73 8.176 -3.944 3.738 1.00 0.27 C ATOM 0 H LEU A 73 4.414 -4.561 2.905 1.00 0.23 H new ATOM 0 HA LEU A 73 6.089 -4.366 5.119 1.00 0.25 H new ATOM 0 HB2 LEU A 73 5.233 -2.434 2.944 1.00 0.23 H new ATOM 0 HB3 LEU A 73 6.400 -1.967 4.165 1.00 0.23 H new ATOM 0 HG LEU A 73 6.714 -4.284 2.225 1.00 0.20 H new ATOM 0 HD11 LEU A 73 8.456 -2.899 1.236 1.00 0.35 H new ATOM 0 HD12 LEU A 73 6.867 -2.103 1.151 1.00 0.35 H new ATOM 0 HD13 LEU A 73 8.059 -1.581 2.365 1.00 0.35 H new ATOM 0 HD21 LEU A 73 8.982 -4.397 3.160 1.00 0.27 H new ATOM 0 HD22 LEU A 73 8.570 -3.109 4.317 1.00 0.27 H new ATOM 0 HD23 LEU A 73 7.752 -4.687 4.414 1.00 0.27 H new ATOM 1096 N LEU A 74 3.362 -2.598 5.342 1.00 0.41 N ATOM 1097 CA LEU A 74 2.547 -1.844 6.271 1.00 0.58 C ATOM 1098 C LEU A 74 2.274 -2.662 7.535 1.00 0.66 C ATOM 1099 O LEU A 74 1.912 -2.117 8.560 1.00 0.80 O ATOM 1100 CB LEU A 74 1.239 -1.370 5.622 1.00 0.63 C ATOM 1101 CG LEU A 74 1.380 -0.214 4.617 1.00 0.49 C ATOM 1102 CD1 LEU A 74 1.924 -0.709 3.286 1.00 1.08 C ATOM 1103 CD2 LEU A 74 0.046 0.501 4.422 1.00 0.78 C ATOM 0 H LEU A 74 2.904 -2.826 4.460 1.00 0.41 H new ATOM 0 HA LEU A 74 3.105 -0.952 6.556 1.00 0.58 H new ATOM 0 HB2 LEU A 74 0.779 -2.217 5.113 1.00 0.63 H new ATOM 0 HB3 LEU A 74 0.553 -1.061 6.411 1.00 0.63 H new ATOM 0 HG LEU A 74 2.094 0.500 5.027 1.00 0.49 H new ATOM 0 HD11 LEU A 74 2.013 0.129 2.595 1.00 1.08 H new ATOM 0 HD12 LEU A 74 2.905 -1.159 3.439 1.00 1.08 H new ATOM 0 HD13 LEU A 74 1.244 -1.452 2.869 1.00 1.08 H new ATOM 0 HD21 LEU A 74 0.170 1.315 3.707 1.00 0.78 H new ATOM 0 HD22 LEU A 74 -0.693 -0.205 4.043 1.00 0.78 H new ATOM 0 HD23 LEU A 74 -0.293 0.905 5.376 1.00 0.78 H new ATOM 1115 N LYS A 75 2.430 -3.983 7.451 1.00 0.66 N ATOM 1116 CA LYS A 75 2.285 -4.843 8.626 1.00 0.82 C ATOM 1117 C LYS A 75 3.576 -4.859 9.425 1.00 0.77 C ATOM 1118 O LYS A 75 3.559 -4.825 10.655 1.00 0.95 O ATOM 1119 CB LYS A 75 1.924 -6.282 8.237 1.00 1.04 C ATOM 1120 CG LYS A 75 0.436 -6.536 8.048 1.00 0.81 C ATOM 1121 CD LYS A 75 0.014 -6.512 6.584 1.00 0.71 C ATOM 1122 CE LYS A 75 0.065 -5.114 5.988 1.00 0.70 C ATOM 1123 NZ LYS A 75 -0.523 -4.101 6.907 1.00 1.93 N ATOM 0 H LYS A 75 2.655 -4.479 6.588 1.00 0.66 H new ATOM 0 HA LYS A 75 1.474 -4.433 9.228 1.00 0.82 H new ATOM 0 HB2 LYS A 75 2.442 -6.534 7.312 1.00 1.04 H new ATOM 0 HB3 LYS A 75 2.299 -6.957 9.007 1.00 1.04 H new ATOM 0 HG2 LYS A 75 0.180 -7.504 8.479 1.00 0.81 H new ATOM 0 HG3 LYS A 75 -0.129 -5.783 8.597 1.00 0.81 H new ATOM 0 HD2 LYS A 75 0.665 -7.172 6.010 1.00 0.71 H new ATOM 0 HD3 LYS A 75 -0.999 -6.905 6.494 1.00 0.71 H new ATOM 0 HE2 LYS A 75 1.099 -4.849 5.769 1.00 0.70 H new ATOM 0 HE3 LYS A 75 -0.474 -5.102 5.041 1.00 0.70 H new ATOM 0 HZ1 LYS A 75 -1.038 -3.388 6.353 1.00 1.93 H new ATOM 0 HZ2 LYS A 75 -1.179 -4.568 7.565 1.00 1.93 H new ATOM 0 HZ3 LYS A 75 0.237 -3.638 7.446 1.00 1.93 H new ATOM 1137 N ASN A 76 4.693 -4.899 8.714 1.00 0.64 N ATOM 1138 CA ASN A 76 6.005 -4.976 9.344 1.00 0.69 C ATOM 1139 C ASN A 76 6.552 -3.585 9.629 1.00 0.61 C ATOM 1140 O ASN A 76 7.723 -3.430 9.970 1.00 0.79 O ATOM 1141 CB ASN A 76 6.989 -5.735 8.446 1.00 0.81 C ATOM 1142 CG ASN A 76 6.613 -7.193 8.252 1.00 1.22 C ATOM 1143 OD1 ASN A 76 6.000 -7.814 9.122 1.00 1.80 O ATOM 1144 ND2 ASN A 76 6.981 -7.754 7.111 1.00 2.12 N ATOM 0 H ASN A 76 4.718 -4.879 7.694 1.00 0.64 H new ATOM 0 HA ASN A 76 5.890 -5.511 10.286 1.00 0.69 H new ATOM 0 HB2 ASN A 76 7.036 -5.245 7.473 1.00 0.81 H new ATOM 0 HB3 ASN A 76 7.987 -5.678 8.881 1.00 0.81 H new ATOM 0 HD21 ASN A 76 6.758 -8.732 6.929 1.00 2.12 H new ATOM 0 HD22 ASN A 76 7.487 -7.208 6.414 1.00 2.12 H new ATOM 1151 N THR A 77 5.701 -2.579 9.491 1.00 0.54 N ATOM 1152 CA THR A 77 6.119 -1.206 9.693 1.00 0.60 C ATOM 1153 C THR A 77 6.538 -0.997 11.149 1.00 0.56 C ATOM 1154 O THR A 77 5.854 -1.414 12.088 1.00 0.61 O ATOM 1155 CB THR A 77 5.010 -0.208 9.294 1.00 0.75 C ATOM 1156 OG1 THR A 77 5.524 1.129 9.304 1.00 0.94 O ATOM 1157 CG2 THR A 77 3.811 -0.302 10.221 1.00 0.78 C ATOM 0 H THR A 77 4.719 -2.691 9.240 1.00 0.54 H new ATOM 0 HA THR A 77 6.975 -1.014 9.046 1.00 0.60 H new ATOM 0 HB THR A 77 4.680 -0.467 8.288 1.00 0.75 H new ATOM 0 HG1 THR A 77 5.398 1.521 10.193 1.00 0.94 H new ATOM 0 HG21 THR A 77 3.052 0.415 9.908 1.00 0.78 H new ATOM 0 HG22 THR A 77 3.397 -1.309 10.179 1.00 0.78 H new ATOM 0 HG23 THR A 77 4.122 -0.079 11.242 1.00 0.78 H new ATOM 1165 N PRO A 78 7.704 -0.376 11.336 1.00 0.63 N ATOM 1166 CA PRO A 78 8.367 -0.291 12.633 1.00 0.67 C ATOM 1167 C PRO A 78 7.689 0.670 13.613 1.00 0.70 C ATOM 1168 O PRO A 78 7.480 0.328 14.773 1.00 0.84 O ATOM 1169 CB PRO A 78 9.787 0.197 12.279 1.00 0.92 C ATOM 1170 CG PRO A 78 9.879 0.142 10.787 1.00 1.00 C ATOM 1171 CD PRO A 78 8.483 0.301 10.291 1.00 0.84 C ATOM 0 HA PRO A 78 8.342 -1.250 13.151 1.00 0.67 H new ATOM 0 HB2 PRO A 78 9.954 1.211 12.644 1.00 0.92 H new ATOM 0 HB3 PRO A 78 10.544 -0.437 12.741 1.00 0.92 H new ATOM 0 HG2 PRO A 78 10.523 0.934 10.405 1.00 1.00 H new ATOM 0 HG3 PRO A 78 10.307 -0.804 10.456 1.00 1.00 H new ATOM 0 HD2 PRO A 78 8.204 1.350 10.190 1.00 0.84 H new ATOM 0 HD3 PRO A 78 8.343 -0.162 9.314 1.00 0.84 H new ATOM 1179 N SER A 79 7.362 1.876 13.157 1.00 0.75 N ATOM 1180 CA SER A 79 6.864 2.917 14.058 1.00 0.96 C ATOM 1181 C SER A 79 5.401 3.302 13.799 1.00 0.91 C ATOM 1182 O SER A 79 4.952 4.354 14.249 1.00 1.06 O ATOM 1183 CB SER A 79 7.746 4.159 13.931 1.00 1.23 C ATOM 1184 OG SER A 79 9.121 3.810 13.986 1.00 1.49 O ATOM 0 H SER A 79 7.431 2.157 12.179 1.00 0.75 H new ATOM 0 HA SER A 79 6.906 2.507 15.067 1.00 0.96 H new ATOM 0 HB2 SER A 79 7.533 4.667 12.991 1.00 1.23 H new ATOM 0 HB3 SER A 79 7.512 4.860 14.732 1.00 1.23 H new ATOM 0 HG SER A 79 9.667 4.619 13.901 1.00 1.49 H new ATOM 1190 N ILE A 80 4.661 2.475 13.079 1.00 0.76 N ATOM 1191 CA ILE A 80 3.295 2.837 12.700 1.00 0.76 C ATOM 1192 C ILE A 80 2.283 1.844 13.269 1.00 0.74 C ATOM 1193 O ILE A 80 2.522 0.637 13.278 1.00 0.67 O ATOM 1194 CB ILE A 80 3.155 2.924 11.164 1.00 0.69 C ATOM 1195 CG1 ILE A 80 4.192 3.902 10.600 1.00 0.89 C ATOM 1196 CG2 ILE A 80 1.749 3.360 10.773 1.00 0.76 C ATOM 1197 CD1 ILE A 80 4.185 3.986 9.095 1.00 1.21 C ATOM 0 H ILE A 80 4.971 1.562 12.747 1.00 0.76 H new ATOM 0 HA ILE A 80 3.084 3.819 13.124 1.00 0.76 H new ATOM 0 HB ILE A 80 3.333 1.935 10.743 1.00 0.69 H new ATOM 0 HG12 ILE A 80 4.006 4.894 11.012 1.00 0.89 H new ATOM 0 HG13 ILE A 80 5.184 3.599 10.934 1.00 0.89 H new ATOM 0 HG21 ILE A 80 1.674 3.414 9.687 1.00 0.76 H new ATOM 0 HG22 ILE A 80 1.026 2.638 11.151 1.00 0.76 H new ATOM 0 HG23 ILE A 80 1.540 4.341 11.201 1.00 0.76 H new ATOM 0 HD11 ILE A 80 4.944 4.696 8.767 1.00 1.21 H new ATOM 0 HD12 ILE A 80 4.402 3.004 8.675 1.00 1.21 H new ATOM 0 HD13 ILE A 80 3.205 4.319 8.754 1.00 1.21 H new ATOM 1204 N SER A 81 1.155 2.360 13.759 1.00 0.90 N ATOM 1205 CA SER A 81 0.134 1.522 14.386 1.00 1.01 C ATOM 1206 C SER A 81 -1.003 1.185 13.415 1.00 0.88 C ATOM 1207 O SER A 81 -1.143 1.807 12.357 1.00 0.74 O ATOM 1208 CB SER A 81 -0.417 2.207 15.637 1.00 1.26 C ATOM 1209 OG SER A 81 -0.970 3.477 15.330 1.00 1.79 O ATOM 0 H SER A 81 0.926 3.354 13.733 1.00 0.90 H new ATOM 0 HA SER A 81 0.607 0.583 14.672 1.00 1.01 H new ATOM 0 HB2 SER A 81 -1.180 1.576 16.093 1.00 1.26 H new ATOM 0 HB3 SER A 81 0.380 2.323 16.371 1.00 1.26 H new ATOM 0 HG SER A 81 -0.282 4.044 14.924 1.00 1.79 H new ATOM 1215 N GLU A 82 -1.828 0.217 13.821 1.00 0.99 N ATOM 1216 CA GLU A 82 -2.809 -0.423 12.938 1.00 0.96 C ATOM 1217 C GLU A 82 -3.715 0.560 12.192 1.00 0.84 C ATOM 1218 O GLU A 82 -3.874 0.442 10.981 1.00 0.75 O ATOM 1219 CB GLU A 82 -3.699 -1.391 13.721 1.00 1.22 C ATOM 1220 CG GLU A 82 -2.942 -2.301 14.671 1.00 1.50 C ATOM 1221 CD GLU A 82 -2.691 -1.649 16.013 1.00 2.29 C ATOM 1222 OE1 GLU A 82 -3.555 -1.772 16.906 1.00 2.89 O ATOM 1223 OE2 GLU A 82 -1.640 -1.001 16.180 1.00 2.75 O ATOM 0 H GLU A 82 -1.835 -0.147 14.774 1.00 0.99 H new ATOM 0 HA GLU A 82 -2.211 -0.952 12.196 1.00 0.96 H new ATOM 0 HB2 GLU A 82 -4.429 -0.816 14.291 1.00 1.22 H new ATOM 0 HB3 GLU A 82 -4.258 -2.005 13.015 1.00 1.22 H new ATOM 0 HG2 GLU A 82 -3.507 -3.221 14.817 1.00 1.50 H new ATOM 0 HG3 GLU A 82 -1.989 -2.580 14.221 1.00 1.50 H new ATOM 1230 N GLU A 83 -4.301 1.526 12.892 1.00 0.90 N ATOM 1231 CA GLU A 83 -5.283 2.410 12.263 1.00 0.87 C ATOM 1232 C GLU A 83 -4.641 3.321 11.226 1.00 0.74 C ATOM 1233 O GLU A 83 -5.232 3.595 10.182 1.00 0.73 O ATOM 1234 CB GLU A 83 -6.029 3.240 13.303 1.00 1.05 C ATOM 1235 CG GLU A 83 -6.940 2.410 14.187 1.00 1.30 C ATOM 1236 CD GLU A 83 -8.182 3.164 14.607 1.00 1.60 C ATOM 1237 OE1 GLU A 83 -8.096 4.014 15.516 1.00 1.98 O ATOM 1238 OE2 GLU A 83 -9.255 2.911 14.022 1.00 2.06 O ATOM 0 H GLU A 83 -4.120 1.717 13.877 1.00 0.90 H new ATOM 0 HA GLU A 83 -6.001 1.770 11.751 1.00 0.87 H new ATOM 0 HB2 GLU A 83 -5.305 3.764 13.928 1.00 1.05 H new ATOM 0 HB3 GLU A 83 -6.621 4.001 12.795 1.00 1.05 H new ATOM 0 HG2 GLU A 83 -7.231 1.504 13.655 1.00 1.30 H new ATOM 0 HG3 GLU A 83 -6.392 2.096 15.075 1.00 1.30 H new ATOM 1245 N GLN A 84 -3.432 3.775 11.511 1.00 0.73 N ATOM 1246 CA GLN A 84 -2.682 4.584 10.557 1.00 0.68 C ATOM 1247 C GLN A 84 -2.419 3.765 9.302 1.00 0.56 C ATOM 1248 O GLN A 84 -2.466 4.270 8.184 1.00 0.59 O ATOM 1249 CB GLN A 84 -1.354 5.034 11.164 1.00 0.76 C ATOM 1250 CG GLN A 84 -1.503 5.745 12.493 1.00 1.11 C ATOM 1251 CD GLN A 84 -0.169 6.091 13.119 1.00 1.60 C ATOM 1252 OE1 GLN A 84 0.405 5.293 13.864 1.00 2.31 O ATOM 1253 NE2 GLN A 84 0.333 7.280 12.823 1.00 2.28 N ATOM 0 H GLN A 84 -2.948 3.600 12.391 1.00 0.73 H new ATOM 0 HA GLN A 84 -3.267 5.469 10.306 1.00 0.68 H new ATOM 0 HB2 GLN A 84 -0.712 4.163 11.298 1.00 0.76 H new ATOM 0 HB3 GLN A 84 -0.850 5.697 10.461 1.00 0.76 H new ATOM 0 HG2 GLN A 84 -2.081 6.658 12.350 1.00 1.11 H new ATOM 0 HG3 GLN A 84 -2.069 5.113 13.178 1.00 1.11 H new ATOM 0 HE21 GLN A 84 -0.177 7.908 12.202 1.00 2.28 H new ATOM 0 HE22 GLN A 84 1.229 7.567 13.216 1.00 2.28 H new ATOM 1262 N ILE A 85 -2.164 2.484 9.522 1.00 0.50 N ATOM 1263 CA ILE A 85 -1.926 1.531 8.448 1.00 0.45 C ATOM 1264 C ILE A 85 -3.201 1.289 7.640 1.00 0.43 C ATOM 1265 O ILE A 85 -3.193 1.358 6.409 1.00 0.43 O ATOM 1266 CB ILE A 85 -1.429 0.191 9.029 1.00 0.46 C ATOM 1267 CG1 ILE A 85 -0.130 0.403 9.804 1.00 0.51 C ATOM 1268 CG2 ILE A 85 -1.229 -0.834 7.927 1.00 0.47 C ATOM 1269 CD1 ILE A 85 0.285 -0.791 10.634 1.00 1.41 C ATOM 0 H ILE A 85 -2.116 2.074 10.455 1.00 0.50 H new ATOM 0 HA ILE A 85 -1.166 1.950 7.789 1.00 0.45 H new ATOM 0 HB ILE A 85 -2.187 -0.191 9.713 1.00 0.46 H new ATOM 0 HG12 ILE A 85 0.668 0.640 9.100 1.00 0.51 H new ATOM 0 HG13 ILE A 85 -0.245 1.267 10.459 1.00 0.51 H new ATOM 0 HG21 ILE A 85 -0.878 -1.771 8.361 1.00 0.47 H new ATOM 0 HG22 ILE A 85 -2.175 -1.004 7.412 1.00 0.47 H new ATOM 0 HG23 ILE A 85 -0.490 -0.464 7.216 1.00 0.47 H new ATOM 0 HD11 ILE A 85 1.215 -0.566 11.155 1.00 1.41 H new ATOM 0 HD12 ILE A 85 -0.494 -1.016 11.363 1.00 1.41 H new ATOM 0 HD13 ILE A 85 0.433 -1.653 9.983 1.00 1.41 H new ATOM 1276 N LYS A 86 -4.294 1.011 8.348 1.00 0.47 N ATOM 1277 CA LYS A 86 -5.583 0.718 7.725 1.00 0.50 C ATOM 1278 C LYS A 86 -6.040 1.859 6.819 1.00 0.41 C ATOM 1279 O LYS A 86 -6.545 1.626 5.716 1.00 0.47 O ATOM 1280 CB LYS A 86 -6.642 0.451 8.803 1.00 0.59 C ATOM 1281 CG LYS A 86 -8.047 0.275 8.257 1.00 0.71 C ATOM 1282 CD LYS A 86 -9.056 0.054 9.370 1.00 0.92 C ATOM 1283 CE LYS A 86 -8.791 -1.239 10.125 1.00 1.90 C ATOM 1284 NZ LYS A 86 -9.751 -1.432 11.241 1.00 2.45 N ATOM 0 H LYS A 86 -4.311 0.983 9.367 1.00 0.47 H new ATOM 0 HA LYS A 86 -5.459 -0.173 7.109 1.00 0.50 H new ATOM 0 HB2 LYS A 86 -6.364 -0.445 9.357 1.00 0.59 H new ATOM 0 HB3 LYS A 86 -6.640 1.278 9.513 1.00 0.59 H new ATOM 0 HG2 LYS A 86 -8.327 1.157 7.681 1.00 0.71 H new ATOM 0 HG3 LYS A 86 -8.068 -0.573 7.572 1.00 0.71 H new ATOM 0 HD2 LYS A 86 -9.021 0.894 10.064 1.00 0.92 H new ATOM 0 HD3 LYS A 86 -10.061 0.030 8.949 1.00 0.92 H new ATOM 0 HE2 LYS A 86 -8.859 -2.082 9.437 1.00 1.90 H new ATOM 0 HE3 LYS A 86 -7.774 -1.229 10.518 1.00 1.90 H new ATOM 0 HZ1 LYS A 86 -9.538 -2.324 11.732 1.00 2.45 H new ATOM 0 HZ2 LYS A 86 -9.669 -0.640 11.910 1.00 2.45 H new ATOM 0 HZ3 LYS A 86 -10.719 -1.467 10.864 1.00 2.45 H new ATOM 1298 N ASP A 87 -5.846 3.089 7.279 1.00 0.34 N ATOM 1299 CA ASP A 87 -6.282 4.262 6.529 1.00 0.31 C ATOM 1300 C ASP A 87 -5.606 4.325 5.164 1.00 0.29 C ATOM 1301 O ASP A 87 -6.199 4.776 4.182 1.00 0.35 O ATOM 1302 CB ASP A 87 -5.999 5.548 7.322 1.00 0.34 C ATOM 1303 CG ASP A 87 -6.481 6.807 6.616 1.00 1.00 C ATOM 1304 OD1 ASP A 87 -7.690 7.116 6.692 1.00 1.09 O ATOM 1305 OD2 ASP A 87 -5.657 7.490 5.966 1.00 1.70 O ATOM 0 H ASP A 87 -5.390 3.301 8.167 1.00 0.34 H new ATOM 0 HA ASP A 87 -7.357 4.176 6.373 1.00 0.31 H new ATOM 0 HB2 ASP A 87 -6.481 5.479 8.297 1.00 0.34 H new ATOM 0 HB3 ASP A 87 -4.927 5.628 7.501 1.00 0.34 H new ATOM 1310 N ILE A 88 -4.375 3.848 5.106 1.00 0.26 N ATOM 1311 CA ILE A 88 -3.591 3.901 3.882 1.00 0.27 C ATOM 1312 C ILE A 88 -4.112 2.935 2.816 1.00 0.31 C ATOM 1313 O ILE A 88 -4.693 3.353 1.815 1.00 0.36 O ATOM 1314 CB ILE A 88 -2.106 3.581 4.148 1.00 0.28 C ATOM 1315 CG1 ILE A 88 -1.561 4.459 5.268 1.00 0.36 C ATOM 1316 CG2 ILE A 88 -1.292 3.775 2.879 1.00 0.38 C ATOM 1317 CD1 ILE A 88 -0.154 4.103 5.685 1.00 0.42 C ATOM 0 H ILE A 88 -3.894 3.417 5.896 1.00 0.26 H new ATOM 0 HA ILE A 88 -3.688 4.922 3.512 1.00 0.27 H new ATOM 0 HB ILE A 88 -2.026 2.539 4.459 1.00 0.28 H new ATOM 0 HG12 ILE A 88 -1.583 5.500 4.946 1.00 0.36 H new ATOM 0 HG13 ILE A 88 -2.219 4.379 6.134 1.00 0.36 H new ATOM 0 HG21 ILE A 88 -0.245 3.546 3.080 1.00 0.38 H new ATOM 0 HG22 ILE A 88 -1.666 3.109 2.101 1.00 0.38 H new ATOM 0 HG23 ILE A 88 -1.380 4.809 2.545 1.00 0.38 H new ATOM 0 HD11 ILE A 88 0.168 4.769 6.486 1.00 0.42 H new ATOM 0 HD12 ILE A 88 -0.129 3.072 6.039 1.00 0.42 H new ATOM 0 HD13 ILE A 88 0.516 4.210 4.832 1.00 0.42 H new ATOM 1324 N PHE A 89 -3.920 1.646 3.045 1.00 0.33 N ATOM 1325 CA PHE A 89 -4.064 0.660 1.974 1.00 0.41 C ATOM 1326 C PHE A 89 -5.330 -0.184 2.098 1.00 0.44 C ATOM 1327 O PHE A 89 -5.706 -0.882 1.158 1.00 0.52 O ATOM 1328 CB PHE A 89 -2.834 -0.255 1.945 1.00 0.45 C ATOM 1329 CG PHE A 89 -2.800 -1.286 3.042 1.00 0.32 C ATOM 1330 CD1 PHE A 89 -2.379 -2.583 2.795 1.00 0.57 C ATOM 1331 CD2 PHE A 89 -3.183 -0.948 4.325 1.00 0.56 C ATOM 1332 CE1 PHE A 89 -2.339 -3.517 3.806 1.00 0.75 C ATOM 1333 CE2 PHE A 89 -3.150 -1.879 5.339 1.00 0.49 C ATOM 1334 CZ PHE A 89 -2.753 -3.204 5.044 1.00 0.51 C ATOM 0 H PHE A 89 -3.666 1.256 3.952 1.00 0.33 H new ATOM 0 HA PHE A 89 -4.148 1.218 1.042 1.00 0.41 H new ATOM 0 HB2 PHE A 89 -2.798 -0.765 0.982 1.00 0.45 H new ATOM 0 HB3 PHE A 89 -1.937 0.360 2.013 1.00 0.45 H new ATOM 0 HD1 PHE A 89 -2.078 -2.865 1.797 1.00 0.57 H new ATOM 0 HD2 PHE A 89 -3.512 0.059 4.536 1.00 0.56 H new ATOM 0 HE1 PHE A 89 -1.971 -4.511 3.601 1.00 0.75 H new ATOM 0 HE2 PHE A 89 -3.424 -1.601 6.346 1.00 0.49 H new ATOM 0 HZ PHE A 89 -2.783 -3.962 5.813 1.00 0.51 H new ATOM 1344 N TYR A 90 -5.984 -0.124 3.245 1.00 0.44 N ATOM 1345 CA TYR A 90 -7.111 -1.008 3.513 1.00 0.53 C ATOM 1346 C TYR A 90 -8.422 -0.371 3.062 1.00 0.56 C ATOM 1347 O TYR A 90 -9.308 -1.051 2.547 1.00 0.71 O ATOM 1348 CB TYR A 90 -7.158 -1.345 5.002 1.00 0.56 C ATOM 1349 CG TYR A 90 -8.249 -2.319 5.384 1.00 0.70 C ATOM 1350 CD1 TYR A 90 -9.367 -1.925 6.121 1.00 0.78 C ATOM 1351 CD2 TYR A 90 -8.159 -3.643 4.992 1.00 0.77 C ATOM 1352 CE1 TYR A 90 -10.351 -2.838 6.452 1.00 0.93 C ATOM 1353 CE2 TYR A 90 -9.134 -4.555 5.315 1.00 0.91 C ATOM 1354 CZ TYR A 90 -10.279 -4.065 6.123 1.00 0.96 C ATOM 1355 OH TYR A 90 -11.204 -5.063 6.378 1.00 1.13 O ATOM 0 H TYR A 90 -5.759 0.521 4.002 1.00 0.44 H new ATOM 0 HA TYR A 90 -6.977 -1.929 2.945 1.00 0.53 H new ATOM 0 HB2 TYR A 90 -6.195 -1.761 5.299 1.00 0.56 H new ATOM 0 HB3 TYR A 90 -7.295 -0.423 5.567 1.00 0.56 H new ATOM 0 HD1 TYR A 90 -9.464 -0.897 6.436 1.00 0.78 H new ATOM 0 HD2 TYR A 90 -7.303 -3.967 4.419 1.00 0.77 H new ATOM 0 HE1 TYR A 90 -11.211 -2.498 7.009 1.00 0.93 H new ATOM 0 HE2 TYR A 90 -9.070 -5.584 4.995 1.00 0.91 H new ATOM 0 HH TYR A 90 -10.882 -5.910 6.005 1.00 1.13 H new ATOM 1365 N ILE A 91 -8.543 0.935 3.261 1.00 0.48 N ATOM 1366 CA ILE A 91 -9.734 1.660 2.837 1.00 0.53 C ATOM 1367 C ILE A 91 -9.802 1.728 1.314 1.00 0.61 C ATOM 1368 O ILE A 91 -10.710 1.167 0.700 1.00 0.86 O ATOM 1369 CB ILE A 91 -9.752 3.093 3.407 1.00 0.50 C ATOM 1370 CG1 ILE A 91 -9.634 3.060 4.932 1.00 0.47 C ATOM 1371 CG2 ILE A 91 -11.023 3.813 2.986 1.00 0.60 C ATOM 1372 CD1 ILE A 91 -9.656 4.433 5.567 1.00 0.51 C ATOM 0 H ILE A 91 -7.834 1.513 3.712 1.00 0.48 H new ATOM 0 HA ILE A 91 -10.599 1.119 3.221 1.00 0.53 H new ATOM 0 HB ILE A 91 -8.898 3.639 3.006 1.00 0.50 H new ATOM 0 HG12 ILE A 91 -10.452 2.466 5.339 1.00 0.47 H new ATOM 0 HG13 ILE A 91 -8.707 2.556 5.206 1.00 0.47 H new ATOM 0 HG21 ILE A 91 -11.022 4.823 3.396 1.00 0.60 H new ATOM 0 HG22 ILE A 91 -11.070 3.863 1.898 1.00 0.60 H new ATOM 0 HG23 ILE A 91 -11.890 3.270 3.362 1.00 0.60 H new ATOM 0 HD11 ILE A 91 -9.568 4.335 6.649 1.00 0.51 H new ATOM 0 HD12 ILE A 91 -8.822 5.023 5.187 1.00 0.51 H new ATOM 0 HD13 ILE A 91 -10.594 4.932 5.323 1.00 0.51 H new