USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=15 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 38 LYS NZ :NH3+ 173:sc= 1.15 (180deg=0.974) USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 59 ASN : amide:sc= 1.86 K(o=2.9,f=-2.7!) USER MOD Set 2.2: A 61 SER OG : rot -100:sc= 1.05 USER MOD Single : A 7 SER OG : rot 180:sc= 0.00803 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= -0.0181 (180deg=-0.224) USER MOD Single : A 16 SER OG : rot -85:sc= 0.587 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -145:sc= -1.57 (180deg=-2.87!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4.45! K(o=-4.5!,f=-1.6) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -155:sc= -0.386 (180deg=-1.24) USER MOD Single : A 46 THR OG1 : rot -76:sc= 1.18 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 52 ASN : amide:sc= 1.27 K(o=1.3,f=-0.044) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 72 ASN : amide:sc= 0.232 K(o=0.23,f=-0.74!) USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= -0.142 (180deg=-0.427) USER MOD Single : A 76 ASN : amide:sc= -0.0218 K(o=-0.022,f=-2.3!) USER MOD Single : A 77 THR OG1 : rot 150:sc= 0 USER MOD Single : A 81 SER OG : rot 11:sc= 0.0152 USER MOD Single : A 84 GLN : amide:sc= -0.214 K(o=-0.21,f=-0.92) USER MOD Single : A 86 LYS NZ :NH3+ -107:sc= 0.932 (180deg=-0.0522) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N ASP A 6 13.751 13.237 -2.240 1.00 0.94 N ATOM 63 CA ASP A 6 12.615 12.330 -2.275 1.00 0.82 C ATOM 64 C ASP A 6 11.328 13.126 -2.436 1.00 0.72 C ATOM 65 O ASP A 6 10.452 13.086 -1.574 1.00 0.76 O ATOM 66 CB ASP A 6 12.542 11.480 -0.996 1.00 0.88 C ATOM 67 CG ASP A 6 13.882 10.911 -0.578 1.00 1.03 C ATOM 68 OD1 ASP A 6 14.614 11.577 0.181 1.00 1.40 O ATOM 69 OD2 ASP A 6 14.213 9.787 -1.019 1.00 1.79 O ATOM 0 HA ASP A 6 12.742 11.658 -3.124 1.00 0.82 H new ATOM 0 HB2 ASP A 6 12.145 12.090 -0.185 1.00 0.88 H new ATOM 0 HB3 ASP A 6 11.840 10.661 -1.152 1.00 0.88 H new ATOM 74 N SER A 7 11.238 13.880 -3.526 1.00 0.68 N ATOM 75 CA SER A 7 10.030 14.627 -3.846 1.00 0.67 C ATOM 76 C SER A 7 8.850 13.669 -3.961 1.00 0.53 C ATOM 77 O SER A 7 8.884 12.725 -4.746 1.00 0.46 O ATOM 78 CB SER A 7 10.229 15.379 -5.159 1.00 0.77 C ATOM 79 OG SER A 7 11.478 16.045 -5.169 1.00 1.33 O ATOM 0 H SER A 7 11.991 13.989 -4.205 1.00 0.68 H new ATOM 0 HA SER A 7 9.824 15.346 -3.053 1.00 0.67 H new ATOM 0 HB2 SER A 7 10.176 14.682 -5.995 1.00 0.77 H new ATOM 0 HB3 SER A 7 9.425 16.102 -5.296 1.00 0.77 H new ATOM 0 HG SER A 7 11.589 16.520 -6.019 1.00 1.33 H new ATOM 85 N GLN A 8 7.804 13.937 -3.178 1.00 0.53 N ATOM 86 CA GLN A 8 6.686 13.008 -3.006 1.00 0.47 C ATOM 87 C GLN A 8 6.025 12.651 -4.334 1.00 0.48 C ATOM 88 O GLN A 8 5.530 11.539 -4.505 1.00 0.50 O ATOM 89 CB GLN A 8 5.640 13.596 -2.054 1.00 0.53 C ATOM 90 CG GLN A 8 6.173 13.893 -0.663 1.00 0.86 C ATOM 91 CD GLN A 8 5.089 14.373 0.281 1.00 1.25 C ATOM 92 OE1 GLN A 8 4.812 15.566 0.375 1.00 1.88 O ATOM 93 NE2 GLN A 8 4.466 13.442 0.986 1.00 1.57 N ATOM 0 H GLN A 8 7.708 14.802 -2.646 1.00 0.53 H new ATOM 0 HA GLN A 8 7.097 12.093 -2.579 1.00 0.47 H new ATOM 0 HB2 GLN A 8 5.246 14.516 -2.486 1.00 0.53 H new ATOM 0 HB3 GLN A 8 4.805 12.900 -1.972 1.00 0.53 H new ATOM 0 HG2 GLN A 8 6.635 12.994 -0.254 1.00 0.86 H new ATOM 0 HG3 GLN A 8 6.954 14.650 -0.730 1.00 0.86 H new ATOM 0 HE21 GLN A 8 4.726 12.462 0.879 1.00 1.57 H new ATOM 0 HE22 GLN A 8 3.726 13.705 1.637 1.00 1.57 H new ATOM 102 N GLU A 9 6.023 13.595 -5.265 1.00 0.54 N ATOM 103 CA GLU A 9 5.436 13.377 -6.581 1.00 0.59 C ATOM 104 C GLU A 9 6.287 12.392 -7.385 1.00 0.51 C ATOM 105 O GLU A 9 5.765 11.498 -8.051 1.00 0.50 O ATOM 106 CB GLU A 9 5.305 14.713 -7.315 1.00 0.73 C ATOM 107 CG GLU A 9 4.453 15.719 -6.560 1.00 1.34 C ATOM 108 CD GLU A 9 4.574 17.121 -7.113 1.00 1.57 C ATOM 109 OE1 GLU A 9 3.732 17.511 -7.942 1.00 1.45 O ATOM 110 OE2 GLU A 9 5.512 17.842 -6.709 1.00 2.17 O ATOM 0 H GLU A 9 6.423 14.524 -5.133 1.00 0.54 H new ATOM 0 HA GLU A 9 4.442 12.946 -6.465 1.00 0.59 H new ATOM 0 HB2 GLU A 9 6.298 15.133 -7.476 1.00 0.73 H new ATOM 0 HB3 GLU A 9 4.869 14.540 -8.299 1.00 0.73 H new ATOM 0 HG2 GLU A 9 3.409 15.407 -6.599 1.00 1.34 H new ATOM 0 HG3 GLU A 9 4.746 15.721 -5.510 1.00 1.34 H new ATOM 117 N LYS A 10 7.601 12.560 -7.300 1.00 0.50 N ATOM 118 CA LYS A 10 8.538 11.648 -7.943 1.00 0.48 C ATOM 119 C LYS A 10 8.547 10.301 -7.220 1.00 0.38 C ATOM 120 O LYS A 10 8.613 9.247 -7.848 1.00 0.38 O ATOM 121 CB LYS A 10 9.944 12.264 -7.963 1.00 0.58 C ATOM 122 CG LYS A 10 11.002 11.370 -8.597 1.00 0.75 C ATOM 123 CD LYS A 10 12.324 12.103 -8.786 1.00 1.63 C ATOM 124 CE LYS A 10 12.225 13.182 -9.858 1.00 2.14 C ATOM 125 NZ LYS A 10 11.979 12.602 -11.208 1.00 2.55 N ATOM 0 H LYS A 10 8.043 13.324 -6.789 1.00 0.50 H new ATOM 0 HA LYS A 10 8.220 11.481 -8.972 1.00 0.48 H new ATOM 0 HB2 LYS A 10 9.908 13.209 -8.506 1.00 0.58 H new ATOM 0 HB3 LYS A 10 10.243 12.495 -6.941 1.00 0.58 H new ATOM 0 HG2 LYS A 10 11.160 10.493 -7.970 1.00 0.75 H new ATOM 0 HG3 LYS A 10 10.644 11.012 -9.562 1.00 0.75 H new ATOM 0 HD2 LYS A 10 12.627 12.556 -7.842 1.00 1.63 H new ATOM 0 HD3 LYS A 10 13.100 11.388 -9.060 1.00 1.63 H new ATOM 0 HE2 LYS A 10 11.419 13.871 -9.606 1.00 2.14 H new ATOM 0 HE3 LYS A 10 13.147 13.763 -9.875 1.00 2.14 H new ATOM 0 HZ1 LYS A 10 12.152 13.326 -11.934 1.00 2.55 H new ATOM 0 HZ2 LYS A 10 12.620 11.797 -11.362 1.00 2.55 H new ATOM 0 HZ3 LYS A 10 10.993 12.277 -11.272 1.00 2.55 H new ATOM 139 N VAL A 11 8.462 10.352 -5.893 1.00 0.34 N ATOM 140 CA VAL A 11 8.421 9.150 -5.068 1.00 0.30 C ATOM 141 C VAL A 11 7.243 8.263 -5.454 1.00 0.27 C ATOM 142 O VAL A 11 7.417 7.075 -5.714 1.00 0.31 O ATOM 143 CB VAL A 11 8.333 9.502 -3.566 1.00 0.31 C ATOM 144 CG1 VAL A 11 8.086 8.259 -2.724 1.00 0.39 C ATOM 145 CG2 VAL A 11 9.604 10.196 -3.108 1.00 0.37 C ATOM 0 H VAL A 11 8.420 11.222 -5.363 1.00 0.34 H new ATOM 0 HA VAL A 11 9.349 8.606 -5.245 1.00 0.30 H new ATOM 0 HB VAL A 11 7.490 10.180 -3.431 1.00 0.31 H new ATOM 0 HG11 VAL A 11 8.029 8.538 -1.672 1.00 0.39 H new ATOM 0 HG12 VAL A 11 7.148 7.794 -3.028 1.00 0.39 H new ATOM 0 HG13 VAL A 11 8.904 7.553 -2.868 1.00 0.39 H new ATOM 0 HG21 VAL A 11 9.525 10.437 -2.048 1.00 0.37 H new ATOM 0 HG22 VAL A 11 10.457 9.536 -3.268 1.00 0.37 H new ATOM 0 HG23 VAL A 11 9.744 11.114 -3.679 1.00 0.37 H new ATOM 149 N ALA A 12 6.053 8.854 -5.504 1.00 0.26 N ATOM 150 CA ALA A 12 4.836 8.123 -5.852 1.00 0.27 C ATOM 151 C ALA A 12 4.994 7.392 -7.182 1.00 0.26 C ATOM 152 O ALA A 12 4.512 6.267 -7.353 1.00 0.31 O ATOM 153 CB ALA A 12 3.655 9.077 -5.917 1.00 0.35 C ATOM 0 H ALA A 12 5.904 9.844 -5.307 1.00 0.26 H new ATOM 0 HA ALA A 12 4.654 7.379 -5.076 1.00 0.27 H new ATOM 0 HB1 ALA A 12 2.753 8.523 -6.177 1.00 0.35 H new ATOM 0 HB2 ALA A 12 3.520 9.555 -4.947 1.00 0.35 H new ATOM 0 HB3 ALA A 12 3.844 9.838 -6.674 1.00 0.35 H new ATOM 159 N ASP A 13 5.686 8.035 -8.111 1.00 0.26 N ATOM 160 CA ASP A 13 5.927 7.466 -9.430 1.00 0.32 C ATOM 161 C ASP A 13 6.871 6.272 -9.324 1.00 0.30 C ATOM 162 O ASP A 13 6.668 5.240 -9.964 1.00 0.42 O ATOM 163 CB ASP A 13 6.528 8.530 -10.348 1.00 0.39 C ATOM 164 CG ASP A 13 6.449 8.151 -11.809 1.00 0.59 C ATOM 165 OD1 ASP A 13 5.453 8.530 -12.462 1.00 0.86 O ATOM 166 OD2 ASP A 13 7.380 7.489 -12.313 1.00 0.67 O ATOM 0 H ASP A 13 6.094 8.960 -7.974 1.00 0.26 H new ATOM 0 HA ASP A 13 4.980 7.126 -9.849 1.00 0.32 H new ATOM 0 HB2 ASP A 13 6.006 9.474 -10.193 1.00 0.39 H new ATOM 0 HB3 ASP A 13 7.571 8.693 -10.075 1.00 0.39 H new ATOM 171 N GLU A 14 7.890 6.420 -8.487 1.00 0.25 N ATOM 172 CA GLU A 14 8.881 5.374 -8.274 1.00 0.35 C ATOM 173 C GLU A 14 8.268 4.130 -7.634 1.00 0.28 C ATOM 174 O GLU A 14 8.507 3.013 -8.094 1.00 0.32 O ATOM 175 CB GLU A 14 10.023 5.894 -7.399 1.00 0.53 C ATOM 176 CG GLU A 14 10.939 6.873 -8.112 1.00 1.18 C ATOM 177 CD GLU A 14 11.657 6.233 -9.279 1.00 1.35 C ATOM 178 OE1 GLU A 14 12.593 5.437 -9.039 1.00 1.53 O ATOM 179 OE2 GLU A 14 11.295 6.517 -10.438 1.00 2.05 O ATOM 0 H GLU A 14 8.052 7.265 -7.939 1.00 0.25 H new ATOM 0 HA GLU A 14 9.269 5.092 -9.253 1.00 0.35 H new ATOM 0 HB2 GLU A 14 9.602 6.379 -6.518 1.00 0.53 H new ATOM 0 HB3 GLU A 14 10.613 5.048 -7.046 1.00 0.53 H new ATOM 0 HG2 GLU A 14 10.355 7.722 -8.468 1.00 1.18 H new ATOM 0 HG3 GLU A 14 11.672 7.263 -7.406 1.00 1.18 H new ATOM 186 N ILE A 15 7.478 4.317 -6.579 1.00 0.22 N ATOM 187 CA ILE A 15 6.917 3.181 -5.848 1.00 0.19 C ATOM 188 C ILE A 15 6.046 2.335 -6.771 1.00 0.17 C ATOM 189 O ILE A 15 6.215 1.118 -6.860 1.00 0.22 O ATOM 190 CB ILE A 15 6.052 3.592 -4.634 1.00 0.21 C ATOM 191 CG1 ILE A 15 6.562 4.867 -3.960 1.00 0.25 C ATOM 192 CG2 ILE A 15 6.027 2.457 -3.622 1.00 0.29 C ATOM 193 CD1 ILE A 15 7.905 4.713 -3.282 1.00 0.33 C ATOM 0 H ILE A 15 7.214 5.232 -6.214 1.00 0.22 H new ATOM 0 HA ILE A 15 7.776 2.620 -5.480 1.00 0.19 H new ATOM 0 HB ILE A 15 5.047 3.797 -5.002 1.00 0.21 H new ATOM 0 HG12 ILE A 15 6.633 5.657 -4.708 1.00 0.25 H new ATOM 0 HG13 ILE A 15 5.829 5.192 -3.221 1.00 0.25 H new ATOM 0 HG21 ILE A 15 5.417 2.746 -2.766 1.00 0.29 H new ATOM 0 HG22 ILE A 15 5.603 1.566 -4.085 1.00 0.29 H new ATOM 0 HG23 ILE A 15 7.043 2.244 -3.289 1.00 0.29 H new ATOM 0 HD11 ILE A 15 8.195 5.661 -2.829 1.00 0.33 H new ATOM 0 HD12 ILE A 15 7.837 3.948 -2.509 1.00 0.33 H new ATOM 0 HD13 ILE A 15 8.653 4.419 -4.019 1.00 0.33 H new ATOM 200 N SER A 16 5.137 2.997 -7.482 1.00 0.18 N ATOM 201 CA SER A 16 4.191 2.308 -8.355 1.00 0.25 C ATOM 202 C SER A 16 4.913 1.535 -9.455 1.00 0.22 C ATOM 203 O SER A 16 4.453 0.479 -9.892 1.00 0.30 O ATOM 204 CB SER A 16 3.214 3.313 -8.969 1.00 0.32 C ATOM 205 OG SER A 16 3.903 4.404 -9.560 1.00 0.30 O ATOM 0 H SER A 16 5.036 4.012 -7.470 1.00 0.18 H new ATOM 0 HA SER A 16 3.635 1.591 -7.751 1.00 0.25 H new ATOM 0 HB2 SER A 16 2.602 2.816 -9.721 1.00 0.32 H new ATOM 0 HB3 SER A 16 2.536 3.682 -8.199 1.00 0.32 H new ATOM 0 HG SER A 16 4.103 5.075 -8.874 1.00 0.30 H new ATOM 211 N PHE A 17 6.045 2.065 -9.895 1.00 0.18 N ATOM 212 CA PHE A 17 6.844 1.425 -10.927 1.00 0.24 C ATOM 213 C PHE A 17 7.505 0.163 -10.389 1.00 0.28 C ATOM 214 O PHE A 17 7.481 -0.884 -11.031 1.00 0.37 O ATOM 215 CB PHE A 17 7.911 2.399 -11.441 1.00 0.29 C ATOM 216 CG PHE A 17 8.874 1.794 -12.424 1.00 0.38 C ATOM 217 CD1 PHE A 17 10.132 1.384 -12.014 1.00 0.39 C ATOM 218 CD2 PHE A 17 8.525 1.643 -13.756 1.00 0.49 C ATOM 219 CE1 PHE A 17 11.022 0.830 -12.912 1.00 0.49 C ATOM 220 CE2 PHE A 17 9.412 1.090 -14.660 1.00 0.59 C ATOM 221 CZ PHE A 17 10.663 0.684 -14.236 1.00 0.58 C ATOM 0 H PHE A 17 6.432 2.943 -9.550 1.00 0.18 H new ATOM 0 HA PHE A 17 6.187 1.146 -11.751 1.00 0.24 H new ATOM 0 HB2 PHE A 17 7.415 3.249 -11.911 1.00 0.29 H new ATOM 0 HB3 PHE A 17 8.472 2.787 -10.591 1.00 0.29 H new ATOM 0 HD1 PHE A 17 10.420 1.499 -10.979 1.00 0.39 H new ATOM 0 HD2 PHE A 17 7.549 1.961 -14.092 1.00 0.49 H new ATOM 0 HE1 PHE A 17 11.998 0.511 -12.578 1.00 0.49 H new ATOM 0 HE2 PHE A 17 9.128 0.975 -15.696 1.00 0.59 H new ATOM 0 HZ PHE A 17 11.359 0.253 -14.940 1.00 0.58 H new ATOM 231 N ARG A 18 8.070 0.266 -9.194 1.00 0.24 N ATOM 232 CA ARG A 18 8.859 -0.819 -8.631 1.00 0.29 C ATOM 233 C ARG A 18 7.977 -1.956 -8.131 1.00 0.28 C ATOM 234 O ARG A 18 8.378 -3.120 -8.158 1.00 0.30 O ATOM 235 CB ARG A 18 9.760 -0.293 -7.508 1.00 0.37 C ATOM 236 CG ARG A 18 10.698 0.812 -7.969 1.00 0.41 C ATOM 237 CD ARG A 18 11.525 1.370 -6.825 1.00 0.57 C ATOM 238 NE ARG A 18 12.255 2.570 -7.226 1.00 1.49 N ATOM 239 CZ ARG A 18 13.372 3.003 -6.644 1.00 1.74 C ATOM 240 NH1 ARG A 18 13.962 2.282 -5.695 1.00 1.26 N ATOM 241 NH2 ARG A 18 13.912 4.148 -7.033 1.00 2.83 N ATOM 0 H ARG A 18 7.996 1.090 -8.597 1.00 0.24 H new ATOM 0 HA ARG A 18 9.487 -1.223 -9.425 1.00 0.29 H new ATOM 0 HB2 ARG A 18 9.138 0.081 -6.695 1.00 0.37 H new ATOM 0 HB3 ARG A 18 10.348 -1.117 -7.105 1.00 0.37 H new ATOM 0 HG2 ARG A 18 11.362 0.425 -8.741 1.00 0.41 H new ATOM 0 HG3 ARG A 18 10.117 1.615 -8.422 1.00 0.41 H new ATOM 0 HD2 ARG A 18 10.873 1.604 -5.984 1.00 0.57 H new ATOM 0 HD3 ARG A 18 12.229 0.613 -6.481 1.00 0.57 H new ATOM 0 HE ARG A 18 11.884 3.114 -8.005 1.00 1.49 H new ATOM 0 HH11 ARG A 18 13.559 1.390 -5.408 1.00 1.26 H new ATOM 0 HH12 ARG A 18 14.817 2.621 -5.254 1.00 1.26 H new ATOM 0 HH21 ARG A 18 13.473 4.693 -7.775 1.00 2.83 H new ATOM 0 HH22 ARG A 18 14.767 4.485 -6.591 1.00 2.83 H new ATOM 255 N LEU A 19 6.780 -1.629 -7.669 1.00 0.27 N ATOM 256 CA LEU A 19 5.830 -2.657 -7.283 1.00 0.25 C ATOM 257 C LEU A 19 5.084 -3.194 -8.489 1.00 0.28 C ATOM 258 O LEU A 19 4.469 -4.259 -8.425 1.00 0.38 O ATOM 259 CB LEU A 19 4.832 -2.135 -6.254 1.00 0.29 C ATOM 260 CG LEU A 19 5.343 -2.108 -4.818 1.00 0.35 C ATOM 261 CD1 LEU A 19 5.866 -3.472 -4.407 1.00 0.99 C ATOM 262 CD2 LEU A 19 6.428 -1.077 -4.654 1.00 0.63 C ATOM 0 H LEU A 19 6.447 -0.672 -7.554 1.00 0.27 H new ATOM 0 HA LEU A 19 6.403 -3.468 -6.833 1.00 0.25 H new ATOM 0 HB2 LEU A 19 4.535 -1.125 -6.537 1.00 0.29 H new ATOM 0 HB3 LEU A 19 3.935 -2.753 -6.293 1.00 0.29 H new ATOM 0 HG LEU A 19 4.506 -1.842 -4.173 1.00 0.35 H new ATOM 0 HD11 LEU A 19 6.225 -3.429 -3.379 1.00 0.99 H new ATOM 0 HD12 LEU A 19 5.064 -4.207 -4.481 1.00 0.99 H new ATOM 0 HD13 LEU A 19 6.685 -3.761 -5.066 1.00 0.99 H new ATOM 0 HD21 LEU A 19 6.776 -1.077 -3.621 1.00 0.63 H new ATOM 0 HD22 LEU A 19 7.259 -1.315 -5.317 1.00 0.63 H new ATOM 0 HD23 LEU A 19 6.035 -0.092 -4.905 1.00 0.63 H new ATOM 274 N GLN A 20 5.166 -2.448 -9.599 1.00 0.25 N ATOM 275 CA GLN A 20 4.341 -2.709 -10.777 1.00 0.28 C ATOM 276 C GLN A 20 2.882 -2.706 -10.351 1.00 0.28 C ATOM 277 O GLN A 20 2.030 -3.374 -10.939 1.00 0.35 O ATOM 278 CB GLN A 20 4.724 -4.041 -11.427 1.00 0.36 C ATOM 279 CG GLN A 20 6.175 -4.092 -11.880 1.00 0.88 C ATOM 280 CD GLN A 20 6.580 -5.449 -12.416 1.00 1.00 C ATOM 281 OE1 GLN A 20 7.048 -6.312 -11.671 1.00 1.36 O ATOM 282 NE2 GLN A 20 6.413 -5.649 -13.712 1.00 1.60 N ATOM 0 H GLN A 20 5.800 -1.656 -9.702 1.00 0.25 H new ATOM 0 HA GLN A 20 4.505 -1.931 -11.523 1.00 0.28 H new ATOM 0 HB2 GLN A 20 4.543 -4.849 -10.718 1.00 0.36 H new ATOM 0 HB3 GLN A 20 4.076 -4.219 -12.285 1.00 0.36 H new ATOM 0 HG2 GLN A 20 6.335 -3.340 -12.652 1.00 0.88 H new ATOM 0 HG3 GLN A 20 6.821 -3.831 -11.042 1.00 0.88 H new ATOM 0 HE21 GLN A 20 6.022 -4.910 -14.296 1.00 1.60 H new ATOM 0 HE22 GLN A 20 6.675 -6.543 -14.128 1.00 1.60 H new ATOM 291 N GLU A 21 2.625 -1.913 -9.320 1.00 0.29 N ATOM 292 CA GLU A 21 1.360 -1.942 -8.601 1.00 0.36 C ATOM 293 C GLU A 21 0.216 -1.349 -9.419 1.00 0.31 C ATOM 294 O GLU A 21 0.345 -0.287 -10.022 1.00 0.36 O ATOM 295 CB GLU A 21 1.512 -1.204 -7.266 1.00 0.53 C ATOM 296 CG GLU A 21 0.245 -1.200 -6.432 1.00 0.79 C ATOM 297 CD GLU A 21 0.467 -0.831 -4.982 1.00 0.70 C ATOM 298 OE1 GLU A 21 0.051 0.274 -4.579 1.00 1.07 O ATOM 299 OE2 GLU A 21 0.986 -1.669 -4.222 1.00 1.31 O ATOM 0 H GLU A 21 3.290 -1.230 -8.958 1.00 0.29 H new ATOM 0 HA GLU A 21 1.104 -2.985 -8.415 1.00 0.36 H new ATOM 0 HB2 GLU A 21 2.314 -1.668 -6.692 1.00 0.53 H new ATOM 0 HB3 GLU A 21 1.813 -0.175 -7.461 1.00 0.53 H new ATOM 0 HG2 GLU A 21 -0.465 -0.499 -6.871 1.00 0.79 H new ATOM 0 HG3 GLU A 21 -0.213 -2.188 -6.479 1.00 0.79 H new ATOM 306 N PRO A 22 -0.921 -2.078 -9.446 1.00 0.27 N ATOM 307 CA PRO A 22 -2.161 -1.678 -10.142 1.00 0.28 C ATOM 308 C PRO A 22 -2.793 -0.408 -9.583 1.00 0.30 C ATOM 309 O PRO A 22 -3.151 0.504 -10.327 1.00 0.41 O ATOM 310 CB PRO A 22 -3.099 -2.865 -9.885 1.00 0.30 C ATOM 311 CG PRO A 22 -2.556 -3.494 -8.652 1.00 0.31 C ATOM 312 CD PRO A 22 -1.077 -3.393 -8.803 1.00 0.31 C ATOM 0 HA PRO A 22 -1.966 -1.457 -11.192 1.00 0.28 H new ATOM 0 HB2 PRO A 22 -4.129 -2.537 -9.745 1.00 0.30 H new ATOM 0 HB3 PRO A 22 -3.098 -3.563 -10.722 1.00 0.30 H new ATOM 0 HG2 PRO A 22 -2.900 -2.975 -7.757 1.00 0.31 H new ATOM 0 HG3 PRO A 22 -2.876 -4.532 -8.562 1.00 0.31 H new ATOM 0 HD2 PRO A 22 -0.565 -3.440 -7.842 1.00 0.31 H new ATOM 0 HD3 PRO A 22 -0.674 -4.198 -9.418 1.00 0.31 H new ATOM 320 N LYS A 23 -2.939 -0.370 -8.271 1.00 0.30 N ATOM 321 CA LYS A 23 -3.615 0.728 -7.597 1.00 0.35 C ATOM 322 C LYS A 23 -2.623 1.828 -7.229 1.00 0.34 C ATOM 323 O LYS A 23 -2.323 2.071 -6.062 1.00 0.45 O ATOM 324 CB LYS A 23 -4.370 0.194 -6.382 1.00 0.42 C ATOM 325 CG LYS A 23 -3.618 -0.872 -5.620 1.00 0.44 C ATOM 326 CD LYS A 23 -3.122 -0.334 -4.304 1.00 0.77 C ATOM 327 CE LYS A 23 -2.294 -1.361 -3.585 1.00 0.73 C ATOM 328 NZ LYS A 23 -1.405 -0.750 -2.563 1.00 1.41 N ATOM 0 H LYS A 23 -2.594 -1.096 -7.643 1.00 0.30 H new ATOM 0 HA LYS A 23 -4.344 1.179 -8.271 1.00 0.35 H new ATOM 0 HB2 LYS A 23 -4.590 1.023 -5.709 1.00 0.42 H new ATOM 0 HB3 LYS A 23 -5.327 -0.213 -6.710 1.00 0.42 H new ATOM 0 HG2 LYS A 23 -4.268 -1.729 -5.446 1.00 0.44 H new ATOM 0 HG3 LYS A 23 -2.776 -1.226 -6.215 1.00 0.44 H new ATOM 0 HD2 LYS A 23 -2.528 0.564 -4.474 1.00 0.77 H new ATOM 0 HD3 LYS A 23 -3.969 -0.043 -3.683 1.00 0.77 H new ATOM 0 HE2 LYS A 23 -2.953 -2.085 -3.105 1.00 0.73 H new ATOM 0 HE3 LYS A 23 -1.690 -1.910 -4.308 1.00 0.73 H new ATOM 0 HZ1 LYS A 23 -0.510 -1.278 -2.521 1.00 1.41 H new ATOM 0 HZ2 LYS A 23 -1.211 0.239 -2.818 1.00 1.41 H new ATOM 0 HZ3 LYS A 23 -1.871 -0.783 -1.634 1.00 1.41 H new ATOM 342 N LYS A 24 -2.140 2.502 -8.260 1.00 0.29 N ATOM 343 CA LYS A 24 -1.044 3.456 -8.144 1.00 0.29 C ATOM 344 C LYS A 24 -1.428 4.694 -7.328 1.00 0.31 C ATOM 345 O LYS A 24 -0.563 5.360 -6.760 1.00 0.35 O ATOM 346 CB LYS A 24 -0.569 3.832 -9.548 1.00 0.31 C ATOM 347 CG LYS A 24 -0.416 2.603 -10.436 1.00 0.30 C ATOM 348 CD LYS A 24 0.208 2.915 -11.789 1.00 0.42 C ATOM 349 CE LYS A 24 0.422 1.633 -12.579 1.00 1.15 C ATOM 350 NZ LYS A 24 0.981 1.881 -13.932 1.00 1.75 N ATOM 0 H LYS A 24 -2.499 2.403 -9.210 1.00 0.29 H new ATOM 0 HA LYS A 24 -0.228 2.985 -7.596 1.00 0.29 H new ATOM 0 HB2 LYS A 24 -1.281 4.522 -10.001 1.00 0.31 H new ATOM 0 HB3 LYS A 24 0.385 4.355 -9.482 1.00 0.31 H new ATOM 0 HG2 LYS A 24 0.199 1.865 -9.921 1.00 0.30 H new ATOM 0 HG3 LYS A 24 -1.395 2.150 -10.590 1.00 0.30 H new ATOM 0 HD2 LYS A 24 -0.439 3.591 -12.348 1.00 0.42 H new ATOM 0 HD3 LYS A 24 1.160 3.427 -11.649 1.00 0.42 H new ATOM 0 HE2 LYS A 24 1.096 0.978 -12.026 1.00 1.15 H new ATOM 0 HE3 LYS A 24 -0.528 1.106 -12.673 1.00 1.15 H new ATOM 0 HZ1 LYS A 24 1.107 0.975 -14.427 1.00 1.75 H new ATOM 0 HZ2 LYS A 24 0.328 2.483 -14.473 1.00 1.75 H new ATOM 0 HZ3 LYS A 24 1.901 2.359 -13.845 1.00 1.75 H new ATOM 364 N ASP A 25 -2.720 4.995 -7.260 1.00 0.31 N ATOM 365 CA ASP A 25 -3.203 6.092 -6.422 1.00 0.38 C ATOM 366 C ASP A 25 -2.955 5.774 -4.952 1.00 0.31 C ATOM 367 O ASP A 25 -2.597 6.647 -4.158 1.00 0.34 O ATOM 368 CB ASP A 25 -4.698 6.330 -6.655 1.00 0.54 C ATOM 369 CG ASP A 25 -5.252 7.448 -5.790 1.00 1.32 C ATOM 370 OD1 ASP A 25 -5.874 7.154 -4.748 1.00 2.14 O ATOM 371 OD2 ASP A 25 -5.077 8.630 -6.150 1.00 1.87 O ATOM 0 H ASP A 25 -3.450 4.499 -7.771 1.00 0.31 H new ATOM 0 HA ASP A 25 -2.659 6.997 -6.692 1.00 0.38 H new ATOM 0 HB2 ASP A 25 -4.865 6.571 -7.705 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -5.245 5.410 -6.448 1.00 0.54 H new ATOM 376 N LEU A 26 -3.122 4.504 -4.610 1.00 0.28 N ATOM 377 CA LEU A 26 -2.965 4.042 -3.239 1.00 0.31 C ATOM 378 C LEU A 26 -1.486 4.027 -2.845 1.00 0.25 C ATOM 379 O LEU A 26 -1.134 4.407 -1.729 1.00 0.24 O ATOM 380 CB LEU A 26 -3.584 2.644 -3.097 1.00 0.40 C ATOM 381 CG LEU A 26 -3.974 2.195 -1.678 1.00 0.58 C ATOM 382 CD1 LEU A 26 -2.754 1.974 -0.799 1.00 1.33 C ATOM 383 CD2 LEU A 26 -4.905 3.208 -1.043 1.00 1.18 C ATOM 0 H LEU A 26 -3.369 3.768 -5.272 1.00 0.28 H new ATOM 0 HA LEU A 26 -3.482 4.727 -2.566 1.00 0.31 H new ATOM 0 HB2 LEU A 26 -4.476 2.603 -3.723 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -2.878 1.918 -3.500 1.00 0.40 H new ATOM 0 HG LEU A 26 -4.492 1.240 -1.766 1.00 0.58 H new ATOM 0 HD11 LEU A 26 -3.073 1.658 0.194 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -2.123 1.202 -1.240 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -2.189 2.903 -0.720 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -5.173 2.877 -0.039 1.00 1.18 H new ATOM 0 HD22 LEU A 26 -4.406 4.175 -0.985 1.00 1.18 H new ATOM 0 HD23 LEU A 26 -5.808 3.301 -1.647 1.00 1.18 H new ATOM 395 N ILE A 27 -0.624 3.587 -3.762 1.00 0.23 N ATOM 396 CA ILE A 27 0.813 3.538 -3.493 1.00 0.23 C ATOM 397 C ILE A 27 1.348 4.954 -3.254 1.00 0.22 C ATOM 398 O ILE A 27 2.281 5.158 -2.478 1.00 0.24 O ATOM 399 CB ILE A 27 1.592 2.838 -4.644 1.00 0.24 C ATOM 400 CG1 ILE A 27 2.844 2.135 -4.113 1.00 0.28 C ATOM 401 CG2 ILE A 27 1.978 3.819 -5.737 1.00 0.34 C ATOM 402 CD1 ILE A 27 2.562 1.162 -2.993 1.00 0.44 C ATOM 0 H ILE A 27 -0.893 3.262 -4.691 1.00 0.23 H new ATOM 0 HA ILE A 27 0.969 2.943 -2.593 1.00 0.23 H new ATOM 0 HB ILE A 27 0.923 2.092 -5.073 1.00 0.24 H new ATOM 0 HG12 ILE A 27 3.327 1.603 -4.933 1.00 0.28 H new ATOM 0 HG13 ILE A 27 3.551 2.886 -3.761 1.00 0.28 H new ATOM 0 HG21 ILE A 27 2.520 3.293 -6.523 1.00 0.34 H new ATOM 0 HG22 ILE A 27 1.078 4.270 -6.156 1.00 0.34 H new ATOM 0 HG23 ILE A 27 2.613 4.599 -5.318 1.00 0.34 H new ATOM 0 HD11 ILE A 27 3.495 0.702 -2.667 1.00 0.44 H new ATOM 0 HD12 ILE A 27 2.107 1.692 -2.156 1.00 0.44 H new ATOM 0 HD13 ILE A 27 1.880 0.389 -3.346 1.00 0.44 H new ATOM 409 N ALA A 28 0.724 5.932 -3.913 1.00 0.21 N ATOM 410 CA ALA A 28 1.039 7.338 -3.693 1.00 0.21 C ATOM 411 C ALA A 28 0.487 7.806 -2.356 1.00 0.21 C ATOM 412 O ALA A 28 1.070 8.664 -1.695 1.00 0.20 O ATOM 413 CB ALA A 28 0.480 8.200 -4.808 1.00 0.21 C ATOM 0 H ALA A 28 -0.006 5.771 -4.607 1.00 0.21 H new ATOM 0 HA ALA A 28 2.124 7.439 -3.685 1.00 0.21 H new ATOM 0 HB1 ALA A 28 0.729 9.244 -4.620 1.00 0.21 H new ATOM 0 HB2 ALA A 28 0.912 7.890 -5.759 1.00 0.21 H new ATOM 0 HB3 ALA A 28 -0.603 8.086 -4.847 1.00 0.21 H new ATOM 419 N ARG A 29 -0.657 7.260 -1.972 1.00 0.21 N ATOM 420 CA ARG A 29 -1.261 7.599 -0.699 1.00 0.21 C ATOM 421 C ARG A 29 -0.353 7.199 0.458 1.00 0.19 C ATOM 422 O ARG A 29 -0.223 7.943 1.429 1.00 0.17 O ATOM 423 CB ARG A 29 -2.618 6.933 -0.520 1.00 0.22 C ATOM 424 CG ARG A 29 -3.179 7.192 0.859 1.00 0.27 C ATOM 425 CD ARG A 29 -4.238 6.174 1.248 1.00 0.29 C ATOM 426 NE ARG A 29 -5.428 6.249 0.402 1.00 0.64 N ATOM 427 CZ ARG A 29 -6.669 6.101 0.859 1.00 1.11 C ATOM 428 NH1 ARG A 29 -6.889 5.966 2.161 1.00 1.48 N ATOM 429 NH2 ARG A 29 -7.688 6.104 0.011 1.00 1.47 N ATOM 0 H ARG A 29 -1.182 6.582 -2.524 1.00 0.21 H new ATOM 0 HA ARG A 29 -1.401 8.680 -0.697 1.00 0.21 H new ATOM 0 HB2 ARG A 29 -3.311 7.307 -1.273 1.00 0.22 H new ATOM 0 HB3 ARG A 29 -2.522 5.859 -0.680 1.00 0.22 H new ATOM 0 HG2 ARG A 29 -2.370 7.169 1.589 1.00 0.27 H new ATOM 0 HG3 ARG A 29 -3.610 8.193 0.892 1.00 0.27 H new ATOM 0 HD2 ARG A 29 -3.814 5.172 1.184 1.00 0.29 H new ATOM 0 HD3 ARG A 29 -4.525 6.333 2.287 1.00 0.29 H new ATOM 0 HE ARG A 29 -5.300 6.425 -0.595 1.00 0.64 H new ATOM 0 HH11 ARG A 29 -6.106 5.976 2.814 1.00 1.48 H new ATOM 0 HH12 ARG A 29 -7.841 5.853 2.508 1.00 1.48 H new ATOM 0 HH21 ARG A 29 -7.520 6.219 -0.988 1.00 1.47 H new ATOM 0 HH22 ARG A 29 -8.640 5.991 0.358 1.00 1.47 H new ATOM 443 N VAL A 30 0.263 6.020 0.358 1.00 0.21 N ATOM 444 CA VAL A 30 1.198 5.565 1.386 1.00 0.23 C ATOM 445 C VAL A 30 2.261 6.630 1.594 1.00 0.19 C ATOM 446 O VAL A 30 2.588 6.998 2.721 1.00 0.17 O ATOM 447 CB VAL A 30 1.895 4.241 1.004 1.00 0.34 C ATOM 448 CG1 VAL A 30 2.683 3.699 2.183 1.00 1.03 C ATOM 449 CG2 VAL A 30 0.897 3.206 0.510 1.00 1.10 C ATOM 0 H VAL A 30 0.133 5.369 -0.416 1.00 0.21 H new ATOM 0 HA VAL A 30 0.625 5.392 2.297 1.00 0.23 H new ATOM 0 HB VAL A 30 2.584 4.452 0.186 1.00 0.34 H new ATOM 0 HG11 VAL A 30 3.168 2.766 1.898 1.00 1.03 H new ATOM 0 HG12 VAL A 30 3.439 4.425 2.480 1.00 1.03 H new ATOM 0 HG13 VAL A 30 2.008 3.516 3.019 1.00 1.03 H new ATOM 0 HG21 VAL A 30 1.424 2.288 0.250 1.00 1.10 H new ATOM 0 HG22 VAL A 30 0.170 2.998 1.295 1.00 1.10 H new ATOM 0 HG23 VAL A 30 0.381 3.589 -0.370 1.00 1.10 H new ATOM 453 N VAL A 31 2.748 7.140 0.475 1.00 0.19 N ATOM 454 CA VAL A 31 3.700 8.236 0.445 1.00 0.19 C ATOM 455 C VAL A 31 3.191 9.425 1.251 1.00 0.17 C ATOM 456 O VAL A 31 3.909 9.982 2.084 1.00 0.20 O ATOM 457 CB VAL A 31 3.903 8.688 -1.007 1.00 0.20 C ATOM 458 CG1 VAL A 31 4.809 9.910 -1.085 1.00 0.20 C ATOM 459 CG2 VAL A 31 4.459 7.552 -1.851 1.00 0.22 C ATOM 0 H VAL A 31 2.489 6.799 -0.451 1.00 0.19 H new ATOM 0 HA VAL A 31 4.637 7.886 0.879 1.00 0.19 H new ATOM 0 HB VAL A 31 2.929 8.970 -1.407 1.00 0.20 H new ATOM 0 HG11 VAL A 31 4.933 10.205 -2.127 1.00 0.20 H new ATOM 0 HG12 VAL A 31 4.361 10.731 -0.526 1.00 0.20 H new ATOM 0 HG13 VAL A 31 5.782 9.669 -0.658 1.00 0.20 H new ATOM 0 HG21 VAL A 31 4.595 7.894 -2.877 1.00 0.22 H new ATOM 0 HG22 VAL A 31 5.419 7.233 -1.444 1.00 0.22 H new ATOM 0 HG23 VAL A 31 3.762 6.714 -1.837 1.00 0.22 H new ATOM 463 N ARG A 32 1.943 9.803 0.991 1.00 0.16 N ATOM 464 CA ARG A 32 1.327 10.941 1.658 1.00 0.19 C ATOM 465 C ARG A 32 1.273 10.722 3.170 1.00 0.18 C ATOM 466 O ARG A 32 1.636 11.599 3.953 1.00 0.23 O ATOM 467 CB ARG A 32 -0.098 11.170 1.145 1.00 0.26 C ATOM 468 CG ARG A 32 -0.210 11.390 -0.355 1.00 1.08 C ATOM 469 CD ARG A 32 -1.640 11.727 -0.743 1.00 1.37 C ATOM 470 NE ARG A 32 -1.832 11.789 -2.191 1.00 2.21 N ATOM 471 CZ ARG A 32 -2.472 12.779 -2.811 1.00 2.78 C ATOM 472 NH1 ARG A 32 -2.908 13.825 -2.121 1.00 2.81 N ATOM 473 NH2 ARG A 32 -2.661 12.736 -4.122 1.00 3.75 N ATOM 0 H ARG A 32 1.337 9.333 0.319 1.00 0.16 H new ATOM 0 HA ARG A 32 1.939 11.816 1.437 1.00 0.19 H new ATOM 0 HB2 ARG A 32 -0.710 10.310 1.418 1.00 0.26 H new ATOM 0 HB3 ARG A 32 -0.518 12.036 1.657 1.00 0.26 H new ATOM 0 HG2 ARG A 32 0.455 12.198 -0.660 1.00 1.08 H new ATOM 0 HG3 ARG A 32 0.114 10.494 -0.884 1.00 1.08 H new ATOM 0 HD2 ARG A 32 -2.312 10.978 -0.323 1.00 1.37 H new ATOM 0 HD3 ARG A 32 -1.915 12.685 -0.303 1.00 1.37 H new ATOM 0 HE ARG A 32 -1.454 11.031 -2.759 1.00 2.21 H new ATOM 0 HH11 ARG A 32 -2.753 13.872 -1.114 1.00 2.81 H new ATOM 0 HH12 ARG A 32 -3.398 14.582 -2.598 1.00 2.81 H new ATOM 0 HH21 ARG A 32 -2.316 11.942 -4.661 1.00 3.75 H new ATOM 0 HH22 ARG A 32 -3.152 13.497 -4.592 1.00 3.75 H new ATOM 487 N ILE A 33 0.816 9.538 3.565 1.00 0.16 N ATOM 488 CA ILE A 33 0.561 9.235 4.969 1.00 0.17 C ATOM 489 C ILE A 33 1.853 9.027 5.763 1.00 0.18 C ATOM 490 O ILE A 33 2.054 9.668 6.795 1.00 0.22 O ATOM 491 CB ILE A 33 -0.336 7.982 5.121 1.00 0.21 C ATOM 492 CG1 ILE A 33 -1.643 8.156 4.336 1.00 0.30 C ATOM 493 CG2 ILE A 33 -0.633 7.706 6.591 1.00 0.21 C ATOM 494 CD1 ILE A 33 -2.520 9.286 4.838 1.00 0.80 C ATOM 0 H ILE A 33 0.613 8.768 2.928 1.00 0.16 H new ATOM 0 HA ILE A 33 0.043 10.104 5.376 1.00 0.17 H new ATOM 0 HB ILE A 33 0.203 7.127 4.713 1.00 0.21 H new ATOM 0 HG12 ILE A 33 -1.404 8.334 3.288 1.00 0.30 H new ATOM 0 HG13 ILE A 33 -2.208 7.225 4.380 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -1.265 6.822 6.675 1.00 0.21 H new ATOM 0 HG22 ILE A 33 0.302 7.536 7.125 1.00 0.21 H new ATOM 0 HG23 ILE A 33 -1.149 8.563 7.025 1.00 0.21 H new ATOM 0 HD11 ILE A 33 -3.423 9.343 4.231 1.00 0.80 H new ATOM 0 HD12 ILE A 33 -2.792 9.101 5.877 1.00 0.80 H new ATOM 0 HD13 ILE A 33 -1.976 10.228 4.767 1.00 0.80 H new ATOM 501 N ILE A 34 2.736 8.153 5.281 1.00 0.20 N ATOM 502 CA ILE A 34 3.910 7.773 6.063 1.00 0.25 C ATOM 503 C ILE A 34 5.062 8.759 5.879 1.00 0.23 C ATOM 504 O ILE A 34 5.872 8.949 6.781 1.00 0.30 O ATOM 505 CB ILE A 34 4.397 6.336 5.742 1.00 0.30 C ATOM 506 CG1 ILE A 34 5.021 6.243 4.344 1.00 0.26 C ATOM 507 CG2 ILE A 34 3.239 5.357 5.861 1.00 0.40 C ATOM 508 CD1 ILE A 34 5.558 4.864 4.010 1.00 0.34 C ATOM 0 H ILE A 34 2.663 7.702 4.369 1.00 0.20 H new ATOM 0 HA ILE A 34 3.590 7.798 7.105 1.00 0.25 H new ATOM 0 HB ILE A 34 5.170 6.079 6.466 1.00 0.30 H new ATOM 0 HG12 ILE A 34 4.273 6.522 3.602 1.00 0.26 H new ATOM 0 HG13 ILE A 34 5.832 6.968 4.268 1.00 0.26 H new ATOM 0 HG21 ILE A 34 3.589 4.350 5.634 1.00 0.40 H new ATOM 0 HG22 ILE A 34 2.843 5.383 6.876 1.00 0.40 H new ATOM 0 HG23 ILE A 34 2.454 5.635 5.158 1.00 0.40 H new ATOM 0 HD11 ILE A 34 5.984 4.873 3.007 1.00 0.34 H new ATOM 0 HD12 ILE A 34 6.329 4.590 4.730 1.00 0.34 H new ATOM 0 HD13 ILE A 34 4.747 4.137 4.053 1.00 0.34 H new ATOM 515 N GLY A 35 5.124 9.396 4.721 1.00 0.23 N ATOM 516 CA GLY A 35 6.193 10.334 4.458 1.00 0.24 C ATOM 517 C GLY A 35 7.037 9.923 3.273 1.00 0.22 C ATOM 518 O GLY A 35 7.116 8.741 2.935 1.00 0.26 O ATOM 0 H GLY A 35 4.455 9.281 3.960 1.00 0.23 H new ATOM 0 HA2 GLY A 35 5.770 11.322 4.275 1.00 0.24 H new ATOM 0 HA3 GLY A 35 6.826 10.417 5.341 1.00 0.24 H new ATOM 522 N ASN A 36 7.688 10.904 2.661 1.00 0.30 N ATOM 523 CA ASN A 36 8.472 10.684 1.450 1.00 0.34 C ATOM 524 C ASN A 36 9.591 9.670 1.676 1.00 0.27 C ATOM 525 O ASN A 36 9.731 8.718 0.915 1.00 0.27 O ATOM 526 CB ASN A 36 9.046 12.013 0.933 1.00 0.46 C ATOM 527 CG ASN A 36 9.916 12.727 1.954 1.00 0.55 C ATOM 528 OD1 ASN A 36 9.409 13.433 2.821 1.00 0.91 O ATOM 529 ND2 ASN A 36 11.225 12.563 1.852 1.00 0.71 N ATOM 0 H ASN A 36 7.688 11.870 2.987 1.00 0.30 H new ATOM 0 HA ASN A 36 7.803 10.271 0.695 1.00 0.34 H new ATOM 0 HB2 ASN A 36 9.633 11.823 0.035 1.00 0.46 H new ATOM 0 HB3 ASN A 36 8.224 12.668 0.644 1.00 0.46 H new ATOM 0 HD21 ASN A 36 11.850 13.032 2.508 1.00 0.71 H new ATOM 0 HD22 ASN A 36 11.609 11.968 1.118 1.00 0.71 H new ATOM 536 N LYS A 37 10.366 9.857 2.736 1.00 0.31 N ATOM 537 CA LYS A 37 11.516 9.000 2.989 1.00 0.33 C ATOM 538 C LYS A 37 11.076 7.610 3.430 1.00 0.27 C ATOM 539 O LYS A 37 11.721 6.614 3.109 1.00 0.31 O ATOM 540 CB LYS A 37 12.444 9.615 4.031 1.00 0.46 C ATOM 541 CG LYS A 37 11.744 10.008 5.311 1.00 1.24 C ATOM 542 CD LYS A 37 12.742 10.325 6.404 1.00 1.85 C ATOM 543 CE LYS A 37 12.040 10.813 7.652 1.00 2.58 C ATOM 544 NZ LYS A 37 12.962 10.886 8.815 1.00 3.19 N ATOM 0 H LYS A 37 10.221 10.590 3.430 1.00 0.31 H new ATOM 0 HA LYS A 37 12.067 8.907 2.053 1.00 0.33 H new ATOM 0 HB2 LYS A 37 13.236 8.904 4.264 1.00 0.46 H new ATOM 0 HB3 LYS A 37 12.923 10.496 3.604 1.00 0.46 H new ATOM 0 HG2 LYS A 37 11.110 10.876 5.130 1.00 1.24 H new ATOM 0 HG3 LYS A 37 11.091 9.198 5.635 1.00 1.24 H new ATOM 0 HD2 LYS A 37 13.328 9.436 6.636 1.00 1.85 H new ATOM 0 HD3 LYS A 37 13.441 11.085 6.054 1.00 1.85 H new ATOM 0 HE2 LYS A 37 11.612 11.798 7.466 1.00 2.58 H new ATOM 0 HE3 LYS A 37 11.212 10.145 7.887 1.00 2.58 H new ATOM 0 HZ1 LYS A 37 12.442 11.225 9.650 1.00 3.19 H new ATOM 0 HZ2 LYS A 37 13.351 9.941 9.009 1.00 3.19 H new ATOM 0 HZ3 LYS A 37 13.739 11.543 8.601 1.00 3.19 H new ATOM 558 N LYS A 38 9.965 7.553 4.156 1.00 0.27 N ATOM 559 CA LYS A 38 9.453 6.293 4.675 1.00 0.27 C ATOM 560 C LYS A 38 9.046 5.365 3.539 1.00 0.24 C ATOM 561 O LYS A 38 9.153 4.144 3.660 1.00 0.32 O ATOM 562 CB LYS A 38 8.274 6.542 5.612 1.00 0.36 C ATOM 563 CG LYS A 38 8.641 7.319 6.867 1.00 1.07 C ATOM 564 CD LYS A 38 9.712 6.615 7.693 1.00 1.33 C ATOM 565 CE LYS A 38 9.265 5.236 8.159 1.00 1.33 C ATOM 566 NZ LYS A 38 10.014 4.146 7.475 1.00 2.45 N ATOM 0 H LYS A 38 9.401 8.368 4.398 1.00 0.27 H new ATOM 0 HA LYS A 38 10.249 5.808 5.241 1.00 0.27 H new ATOM 0 HB2 LYS A 38 7.501 7.088 5.071 1.00 0.36 H new ATOM 0 HB3 LYS A 38 7.844 5.583 5.902 1.00 0.36 H new ATOM 0 HG2 LYS A 38 8.996 8.311 6.587 1.00 1.07 H new ATOM 0 HG3 LYS A 38 7.749 7.460 7.478 1.00 1.07 H new ATOM 0 HD2 LYS A 38 10.621 6.519 7.100 1.00 1.33 H new ATOM 0 HD3 LYS A 38 9.960 7.227 8.560 1.00 1.33 H new ATOM 0 HE2 LYS A 38 9.408 5.153 9.236 1.00 1.33 H new ATOM 0 HE3 LYS A 38 8.198 5.117 7.969 1.00 1.33 H new ATOM 0 HZ1 LYS A 38 9.765 3.232 7.904 1.00 2.45 H new ATOM 0 HZ2 LYS A 38 9.765 4.134 6.465 1.00 2.45 H new ATOM 0 HZ3 LYS A 38 11.036 4.310 7.577 1.00 2.45 H new ATOM 580 N ALA A 39 8.589 5.950 2.436 1.00 0.20 N ATOM 581 CA ALA A 39 8.235 5.179 1.251 1.00 0.22 C ATOM 582 C ALA A 39 9.470 4.488 0.675 1.00 0.24 C ATOM 583 O ALA A 39 9.432 3.308 0.332 1.00 0.29 O ATOM 584 CB ALA A 39 7.591 6.080 0.208 1.00 0.26 C ATOM 0 H ALA A 39 8.455 6.957 2.339 1.00 0.20 H new ATOM 0 HA ALA A 39 7.515 4.412 1.537 1.00 0.22 H new ATOM 0 HB1 ALA A 39 7.332 5.491 -0.672 1.00 0.26 H new ATOM 0 HB2 ALA A 39 6.689 6.529 0.623 1.00 0.26 H new ATOM 0 HB3 ALA A 39 8.291 6.866 -0.075 1.00 0.26 H new ATOM 590 N ILE A 40 10.572 5.232 0.589 1.00 0.24 N ATOM 591 CA ILE A 40 11.836 4.680 0.107 1.00 0.32 C ATOM 592 C ILE A 40 12.362 3.627 1.083 1.00 0.30 C ATOM 593 O ILE A 40 12.874 2.583 0.674 1.00 0.35 O ATOM 594 CB ILE A 40 12.911 5.782 -0.111 1.00 0.42 C ATOM 595 CG1 ILE A 40 12.664 6.552 -1.417 1.00 0.55 C ATOM 596 CG2 ILE A 40 14.315 5.191 -0.118 1.00 0.52 C ATOM 597 CD1 ILE A 40 11.435 7.432 -1.397 1.00 1.13 C ATOM 0 H ILE A 40 10.614 6.218 0.847 1.00 0.24 H new ATOM 0 HA ILE A 40 11.637 4.216 -0.859 1.00 0.32 H new ATOM 0 HB ILE A 40 12.830 6.478 0.724 1.00 0.42 H new ATOM 0 HG12 ILE A 40 13.536 7.170 -1.631 1.00 0.55 H new ATOM 0 HG13 ILE A 40 12.572 5.837 -2.235 1.00 0.55 H new ATOM 0 HG21 ILE A 40 15.044 5.987 -0.272 1.00 0.52 H new ATOM 0 HG22 ILE A 40 14.509 4.702 0.837 1.00 0.52 H new ATOM 0 HG23 ILE A 40 14.399 4.461 -0.923 1.00 0.52 H new ATOM 0 HD11 ILE A 40 11.335 7.939 -2.357 1.00 1.13 H new ATOM 0 HD12 ILE A 40 10.552 6.819 -1.216 1.00 1.13 H new ATOM 0 HD13 ILE A 40 11.531 8.173 -0.603 1.00 1.13 H new ATOM 604 N GLU A 41 12.213 3.900 2.374 1.00 0.28 N ATOM 605 CA GLU A 41 12.621 2.955 3.406 1.00 0.32 C ATOM 606 C GLU A 41 11.894 1.625 3.241 1.00 0.31 C ATOM 607 O GLU A 41 12.506 0.563 3.338 1.00 0.37 O ATOM 608 CB GLU A 41 12.367 3.540 4.797 1.00 0.38 C ATOM 609 CG GLU A 41 13.326 4.660 5.165 1.00 0.79 C ATOM 610 CD GLU A 41 12.959 5.348 6.462 1.00 1.42 C ATOM 611 OE1 GLU A 41 13.011 6.595 6.509 1.00 2.10 O ATOM 612 OE2 GLU A 41 12.599 4.648 7.432 1.00 1.57 O ATOM 0 H GLU A 41 11.813 4.768 2.731 1.00 0.28 H new ATOM 0 HA GLU A 41 13.690 2.772 3.299 1.00 0.32 H new ATOM 0 HB2 GLU A 41 11.345 3.917 4.844 1.00 0.38 H new ATOM 0 HB3 GLU A 41 12.448 2.745 5.538 1.00 0.38 H new ATOM 0 HG2 GLU A 41 14.335 4.255 5.247 1.00 0.79 H new ATOM 0 HG3 GLU A 41 13.342 5.396 4.361 1.00 0.79 H new ATOM 619 N LEU A 42 10.595 1.689 2.961 1.00 0.26 N ATOM 620 CA LEU A 42 9.807 0.484 2.719 1.00 0.25 C ATOM 621 C LEU A 42 10.308 -0.253 1.479 1.00 0.24 C ATOM 622 O LEU A 42 10.345 -1.479 1.455 1.00 0.26 O ATOM 623 CB LEU A 42 8.321 0.818 2.559 1.00 0.25 C ATOM 624 CG LEU A 42 7.600 1.269 3.832 1.00 0.28 C ATOM 625 CD1 LEU A 42 6.130 1.515 3.542 1.00 0.29 C ATOM 626 CD2 LEU A 42 7.749 0.235 4.938 1.00 0.28 C ATOM 0 H LEU A 42 10.067 2.559 2.896 1.00 0.26 H new ATOM 0 HA LEU A 42 9.926 -0.164 3.587 1.00 0.25 H new ATOM 0 HB2 LEU A 42 8.223 1.604 1.810 1.00 0.25 H new ATOM 0 HB3 LEU A 42 7.810 -0.061 2.167 1.00 0.25 H new ATOM 0 HG LEU A 42 8.057 2.199 4.170 1.00 0.28 H new ATOM 0 HD11 LEU A 42 5.628 1.835 4.455 1.00 0.29 H new ATOM 0 HD12 LEU A 42 6.034 2.292 2.783 1.00 0.29 H new ATOM 0 HD13 LEU A 42 5.672 0.595 3.179 1.00 0.29 H new ATOM 0 HD21 LEU A 42 7.228 0.580 5.831 1.00 0.28 H new ATOM 0 HD22 LEU A 42 7.320 -0.712 4.611 1.00 0.28 H new ATOM 0 HD23 LEU A 42 8.806 0.096 5.166 1.00 0.28 H new ATOM 638 N LEU A 43 10.702 0.498 0.456 1.00 0.28 N ATOM 639 CA LEU A 43 11.236 -0.092 -0.773 1.00 0.33 C ATOM 640 C LEU A 43 12.499 -0.897 -0.492 1.00 0.31 C ATOM 641 O LEU A 43 12.810 -1.853 -1.195 1.00 0.38 O ATOM 642 CB LEU A 43 11.541 0.986 -1.811 1.00 0.46 C ATOM 643 CG LEU A 43 10.344 1.806 -2.291 1.00 0.52 C ATOM 644 CD1 LEU A 43 10.784 2.813 -3.336 1.00 1.36 C ATOM 645 CD2 LEU A 43 9.258 0.905 -2.853 1.00 1.24 C ATOM 0 H LEU A 43 10.663 1.517 0.451 1.00 0.28 H new ATOM 0 HA LEU A 43 10.472 -0.760 -1.169 1.00 0.33 H new ATOM 0 HB2 LEU A 43 12.280 1.669 -1.392 1.00 0.46 H new ATOM 0 HB3 LEU A 43 12.002 0.510 -2.677 1.00 0.46 H new ATOM 0 HG LEU A 43 9.932 2.341 -1.435 1.00 0.52 H new ATOM 0 HD11 LEU A 43 9.922 3.391 -3.670 1.00 1.36 H new ATOM 0 HD12 LEU A 43 11.526 3.485 -2.904 1.00 1.36 H new ATOM 0 HD13 LEU A 43 11.220 2.288 -4.186 1.00 1.36 H new ATOM 0 HD21 LEU A 43 8.418 1.513 -3.187 1.00 1.24 H new ATOM 0 HD22 LEU A 43 9.655 0.339 -3.696 1.00 1.24 H new ATOM 0 HD23 LEU A 43 8.921 0.215 -2.079 1.00 1.24 H new ATOM 657 N MET A 44 13.250 -0.480 0.512 1.00 0.28 N ATOM 658 CA MET A 44 14.420 -1.230 0.943 1.00 0.32 C ATOM 659 C MET A 44 13.970 -2.481 1.698 1.00 0.34 C ATOM 660 O MET A 44 14.539 -3.562 1.532 1.00 0.44 O ATOM 661 CB MET A 44 15.317 -0.342 1.820 1.00 0.33 C ATOM 662 CG MET A 44 16.629 -0.989 2.253 1.00 0.93 C ATOM 663 SD MET A 44 16.449 -2.105 3.661 1.00 1.99 S ATOM 664 CE MET A 44 15.832 -0.980 4.913 1.00 2.20 C ATOM 0 H MET A 44 13.072 0.372 1.044 1.00 0.28 H new ATOM 0 HA MET A 44 15.002 -1.541 0.075 1.00 0.32 H new ATOM 0 HB2 MET A 44 15.543 0.574 1.274 1.00 0.33 H new ATOM 0 HB3 MET A 44 14.759 -0.053 2.711 1.00 0.33 H new ATOM 0 HG2 MET A 44 17.048 -1.542 1.412 1.00 0.93 H new ATOM 0 HG3 MET A 44 17.344 -0.207 2.508 1.00 0.93 H new ATOM 0 HE1 MET A 44 16.082 -1.364 5.902 1.00 2.20 H new ATOM 0 HE2 MET A 44 16.289 0.000 4.778 1.00 2.20 H new ATOM 0 HE3 MET A 44 14.749 -0.892 4.821 1.00 2.20 H new ATOM 674 N GLU A 45 12.923 -2.323 2.501 1.00 0.32 N ATOM 675 CA GLU A 45 12.398 -3.402 3.332 1.00 0.42 C ATOM 676 C GLU A 45 11.706 -4.493 2.507 1.00 0.42 C ATOM 677 O GLU A 45 11.626 -5.639 2.952 1.00 0.53 O ATOM 678 CB GLU A 45 11.442 -2.849 4.395 1.00 0.48 C ATOM 679 CG GLU A 45 12.101 -1.861 5.343 1.00 1.12 C ATOM 680 CD GLU A 45 11.280 -1.599 6.591 1.00 1.39 C ATOM 681 OE1 GLU A 45 11.326 -2.420 7.532 1.00 1.78 O ATOM 682 OE2 GLU A 45 10.569 -0.571 6.623 1.00 1.83 O ATOM 0 H GLU A 45 12.414 -1.444 2.594 1.00 0.32 H new ATOM 0 HA GLU A 45 13.252 -3.865 3.826 1.00 0.42 H new ATOM 0 HB2 GLU A 45 10.602 -2.361 3.900 1.00 0.48 H new ATOM 0 HB3 GLU A 45 11.033 -3.678 4.972 1.00 0.48 H new ATOM 0 HG2 GLU A 45 13.080 -2.242 5.632 1.00 1.12 H new ATOM 0 HG3 GLU A 45 12.267 -0.919 4.820 1.00 1.12 H new ATOM 689 N THR A 46 11.200 -4.143 1.319 1.00 0.35 N ATOM 690 CA THR A 46 10.527 -5.118 0.455 1.00 0.42 C ATOM 691 C THR A 46 11.403 -6.346 0.244 1.00 0.52 C ATOM 692 O THR A 46 10.926 -7.479 0.294 1.00 0.57 O ATOM 693 CB THR A 46 10.173 -4.535 -0.933 1.00 0.46 C ATOM 694 OG1 THR A 46 11.354 -4.063 -1.583 1.00 1.03 O ATOM 695 CG2 THR A 46 9.172 -3.399 -0.825 1.00 0.66 C ATOM 0 H THR A 46 11.243 -3.198 0.936 1.00 0.35 H new ATOM 0 HA THR A 46 9.604 -5.388 0.967 1.00 0.42 H new ATOM 0 HB THR A 46 9.721 -5.335 -1.519 1.00 0.46 H new ATOM 0 HG1 THR A 46 11.625 -3.208 -1.188 1.00 1.03 H new ATOM 0 HG21 THR A 46 8.948 -3.015 -1.820 1.00 0.66 H new ATOM 0 HG22 THR A 46 8.255 -3.765 -0.362 1.00 0.66 H new ATOM 0 HG23 THR A 46 9.593 -2.600 -0.214 1.00 0.66 H new ATOM 703 N ALA A 47 12.693 -6.105 0.044 1.00 0.58 N ATOM 704 CA ALA A 47 13.655 -7.165 -0.207 1.00 0.71 C ATOM 705 C ALA A 47 13.721 -8.147 0.962 1.00 0.76 C ATOM 706 O ALA A 47 13.883 -9.351 0.765 1.00 0.88 O ATOM 707 CB ALA A 47 15.021 -6.560 -0.481 1.00 0.78 C ATOM 0 H ALA A 47 13.099 -5.169 0.052 1.00 0.58 H new ATOM 0 HA ALA A 47 13.330 -7.726 -1.083 1.00 0.71 H new ATOM 0 HB1 ALA A 47 15.741 -7.357 -0.669 1.00 0.78 H new ATOM 0 HB2 ALA A 47 14.963 -5.910 -1.354 1.00 0.78 H new ATOM 0 HB3 ALA A 47 15.341 -5.978 0.383 1.00 0.78 H new ATOM 713 N GLU A 48 13.562 -7.632 2.174 1.00 0.74 N ATOM 714 CA GLU A 48 13.610 -8.463 3.367 1.00 0.85 C ATOM 715 C GLU A 48 12.396 -9.385 3.425 1.00 0.78 C ATOM 716 O GLU A 48 12.483 -10.519 3.898 1.00 0.94 O ATOM 717 CB GLU A 48 13.686 -7.594 4.623 1.00 0.94 C ATOM 718 CG GLU A 48 14.919 -6.707 4.670 1.00 1.48 C ATOM 719 CD GLU A 48 16.209 -7.500 4.598 1.00 1.79 C ATOM 720 OE1 GLU A 48 16.698 -7.944 5.658 1.00 2.51 O ATOM 721 OE2 GLU A 48 16.738 -7.685 3.481 1.00 1.88 O ATOM 0 H GLU A 48 13.399 -6.642 2.356 1.00 0.74 H new ATOM 0 HA GLU A 48 14.508 -9.080 3.322 1.00 0.85 H new ATOM 0 HB2 GLU A 48 12.795 -6.968 4.677 1.00 0.94 H new ATOM 0 HB3 GLU A 48 13.677 -8.238 5.502 1.00 0.94 H new ATOM 0 HG2 GLU A 48 14.885 -5.999 3.842 1.00 1.48 H new ATOM 0 HG3 GLU A 48 14.907 -6.122 5.590 1.00 1.48 H new ATOM 728 N VAL A 49 11.266 -8.900 2.935 1.00 0.60 N ATOM 729 CA VAL A 49 10.070 -9.724 2.835 1.00 0.55 C ATOM 730 C VAL A 49 10.179 -10.676 1.643 1.00 0.65 C ATOM 731 O VAL A 49 9.726 -11.820 1.702 1.00 0.76 O ATOM 732 CB VAL A 49 8.795 -8.862 2.711 1.00 0.47 C ATOM 733 CG1 VAL A 49 7.574 -9.731 2.476 1.00 0.57 C ATOM 734 CG2 VAL A 49 8.598 -8.021 3.961 1.00 0.59 C ATOM 0 H VAL A 49 11.151 -7.943 2.601 1.00 0.60 H new ATOM 0 HA VAL A 49 9.992 -10.306 3.753 1.00 0.55 H new ATOM 0 HB VAL A 49 8.920 -8.200 1.854 1.00 0.47 H new ATOM 0 HG11 VAL A 49 6.689 -9.100 2.392 1.00 0.57 H new ATOM 0 HG12 VAL A 49 7.703 -10.299 1.555 1.00 0.57 H new ATOM 0 HG13 VAL A 49 7.451 -10.419 3.312 1.00 0.57 H new ATOM 0 HG21 VAL A 49 7.695 -7.420 3.856 1.00 0.59 H new ATOM 0 HG22 VAL A 49 8.500 -8.675 4.828 1.00 0.59 H new ATOM 0 HG23 VAL A 49 9.457 -7.364 4.097 1.00 0.59 H new ATOM 738 N GLU A 50 10.798 -10.197 0.568 1.00 0.70 N ATOM 739 CA GLU A 50 11.023 -11.009 -0.622 1.00 0.91 C ATOM 740 C GLU A 50 11.890 -12.226 -0.309 1.00 1.07 C ATOM 741 O GLU A 50 11.596 -13.333 -0.758 1.00 1.22 O ATOM 742 CB GLU A 50 11.674 -10.176 -1.731 1.00 1.03 C ATOM 743 CG GLU A 50 10.737 -9.165 -2.377 1.00 1.14 C ATOM 744 CD GLU A 50 9.637 -9.825 -3.185 1.00 1.46 C ATOM 745 OE1 GLU A 50 8.702 -10.389 -2.577 1.00 1.81 O ATOM 746 OE2 GLU A 50 9.684 -9.763 -4.431 1.00 1.96 O ATOM 0 H GLU A 50 11.155 -9.244 0.497 1.00 0.70 H new ATOM 0 HA GLU A 50 10.051 -11.361 -0.967 1.00 0.91 H new ATOM 0 HB2 GLU A 50 12.533 -9.647 -1.318 1.00 1.03 H new ATOM 0 HB3 GLU A 50 12.053 -10.848 -2.501 1.00 1.03 H new ATOM 0 HG2 GLU A 50 10.290 -8.542 -1.602 1.00 1.14 H new ATOM 0 HG3 GLU A 50 11.312 -8.504 -3.025 1.00 1.14 H new ATOM 753 N GLN A 51 12.950 -12.021 0.467 1.00 1.10 N ATOM 754 CA GLN A 51 13.842 -13.116 0.838 1.00 1.31 C ATOM 755 C GLN A 51 13.148 -14.078 1.801 1.00 1.39 C ATOM 756 O GLN A 51 13.488 -15.261 1.866 1.00 1.61 O ATOM 757 CB GLN A 51 15.131 -12.584 1.477 1.00 1.34 C ATOM 758 CG GLN A 51 14.917 -11.941 2.839 1.00 1.24 C ATOM 759 CD GLN A 51 16.209 -11.588 3.553 1.00 1.70 C ATOM 760 OE1 GLN A 51 17.222 -11.278 2.925 1.00 2.25 O ATOM 761 NE2 GLN A 51 16.186 -11.648 4.874 1.00 2.01 N ATOM 0 H GLN A 51 13.212 -11.112 0.850 1.00 1.10 H new ATOM 0 HA GLN A 51 14.101 -13.653 -0.074 1.00 1.31 H new ATOM 0 HB2 GLN A 51 15.841 -13.405 1.580 1.00 1.34 H new ATOM 0 HB3 GLN A 51 15.584 -11.853 0.807 1.00 1.34 H new ATOM 0 HG2 GLN A 51 14.321 -11.037 2.715 1.00 1.24 H new ATOM 0 HG3 GLN A 51 14.339 -12.620 3.466 1.00 1.24 H new ATOM 0 HE21 GLN A 51 15.327 -11.909 5.358 1.00 2.01 H new ATOM 0 HE22 GLN A 51 17.027 -11.433 5.409 1.00 2.01 H new ATOM 770 N ASN A 52 12.175 -13.568 2.547 1.00 1.22 N ATOM 771 CA ASN A 52 11.438 -14.388 3.505 1.00 1.34 C ATOM 772 C ASN A 52 10.317 -15.155 2.819 1.00 1.34 C ATOM 773 O ASN A 52 9.889 -16.211 3.288 1.00 1.53 O ATOM 774 CB ASN A 52 10.858 -13.527 4.635 1.00 1.26 C ATOM 775 CG ASN A 52 11.777 -13.427 5.840 1.00 1.72 C ATOM 776 OD1 ASN A 52 11.698 -14.239 6.764 1.00 2.34 O ATOM 777 ND2 ASN A 52 12.642 -12.425 5.850 1.00 2.03 N ATOM 0 H ASN A 52 11.878 -12.593 2.508 1.00 1.22 H new ATOM 0 HA ASN A 52 12.142 -15.102 3.932 1.00 1.34 H new ATOM 0 HB2 ASN A 52 10.658 -12.525 4.254 1.00 1.26 H new ATOM 0 HB3 ASN A 52 9.902 -13.946 4.949 1.00 1.26 H new ATOM 0 HD21 ASN A 52 13.274 -12.304 6.642 1.00 2.03 H new ATOM 0 HD22 ASN A 52 12.677 -11.774 5.066 1.00 2.03 H new ATOM 784 N GLY A 53 9.857 -14.614 1.696 1.00 1.22 N ATOM 785 CA GLY A 53 8.776 -15.226 0.957 1.00 1.33 C ATOM 786 C GLY A 53 7.446 -15.051 1.658 1.00 0.94 C ATOM 787 O GLY A 53 6.651 -15.986 1.737 1.00 1.13 O ATOM 0 H GLY A 53 10.220 -13.754 1.284 1.00 1.22 H new ATOM 0 HA2 GLY A 53 8.722 -14.787 -0.039 1.00 1.33 H new ATOM 0 HA3 GLY A 53 8.981 -16.289 0.826 1.00 1.33 H new ATOM 791 N GLY A 54 7.187 -13.844 2.147 1.00 0.62 N ATOM 792 CA GLY A 54 6.041 -13.636 3.007 1.00 0.72 C ATOM 793 C GLY A 54 4.967 -12.741 2.430 1.00 0.50 C ATOM 794 O GLY A 54 5.243 -11.625 1.994 1.00 0.89 O ATOM 0 H GLY A 54 7.747 -13.011 1.964 1.00 0.62 H new ATOM 0 HA2 GLY A 54 5.600 -14.605 3.241 1.00 0.72 H new ATOM 0 HA3 GLY A 54 6.384 -13.207 3.948 1.00 0.72 H new ATOM 798 N LEU A 55 3.741 -13.256 2.405 1.00 0.68 N ATOM 799 CA LEU A 55 2.555 -12.430 2.221 1.00 0.60 C ATOM 800 C LEU A 55 1.282 -13.249 2.307 1.00 0.60 C ATOM 801 O LEU A 55 1.124 -14.256 1.619 1.00 0.63 O ATOM 802 CB LEU A 55 2.523 -11.677 0.889 1.00 0.64 C ATOM 803 CG LEU A 55 1.357 -10.695 0.795 1.00 0.65 C ATOM 804 CD1 LEU A 55 1.510 -9.614 1.840 1.00 1.38 C ATOM 805 CD2 LEU A 55 1.247 -10.080 -0.584 1.00 1.19 C ATOM 0 H LEU A 55 3.544 -14.251 2.511 1.00 0.68 H new ATOM 0 HA LEU A 55 2.610 -11.704 3.032 1.00 0.60 H new ATOM 0 HB2 LEU A 55 3.460 -11.135 0.760 1.00 0.64 H new ATOM 0 HB3 LEU A 55 2.455 -12.395 0.072 1.00 0.64 H new ATOM 0 HG LEU A 55 0.437 -11.251 0.978 1.00 0.65 H new ATOM 0 HD11 LEU A 55 0.675 -8.917 1.767 1.00 1.38 H new ATOM 0 HD12 LEU A 55 1.520 -10.066 2.832 1.00 1.38 H new ATOM 0 HD13 LEU A 55 2.445 -9.079 1.675 1.00 1.38 H new ATOM 0 HD21 LEU A 55 0.405 -9.388 -0.608 1.00 1.19 H new ATOM 0 HD22 LEU A 55 2.166 -9.542 -0.817 1.00 1.19 H new ATOM 0 HD23 LEU A 55 1.091 -10.867 -1.322 1.00 1.19 H new ATOM 817 N PHE A 56 0.381 -12.795 3.152 1.00 0.62 N ATOM 818 CA PHE A 56 -0.992 -13.236 3.107 1.00 0.66 C ATOM 819 C PHE A 56 -1.865 -12.023 2.843 1.00 0.63 C ATOM 820 O PHE A 56 -1.924 -11.102 3.652 1.00 0.71 O ATOM 821 CB PHE A 56 -1.393 -13.948 4.401 1.00 0.78 C ATOM 822 CG PHE A 56 -0.777 -15.311 4.529 1.00 1.13 C ATOM 823 CD1 PHE A 56 0.115 -15.599 5.549 1.00 2.02 C ATOM 824 CD2 PHE A 56 -1.083 -16.304 3.612 1.00 1.07 C ATOM 825 CE1 PHE A 56 0.691 -16.852 5.649 1.00 2.87 C ATOM 826 CE2 PHE A 56 -0.514 -17.556 3.708 1.00 1.81 C ATOM 827 CZ PHE A 56 0.375 -17.833 4.727 1.00 2.74 C ATOM 0 H PHE A 56 0.580 -12.114 3.885 1.00 0.62 H new ATOM 0 HA PHE A 56 -1.122 -13.964 2.307 1.00 0.66 H new ATOM 0 HB2 PHE A 56 -1.095 -13.338 5.254 1.00 0.78 H new ATOM 0 HB3 PHE A 56 -2.478 -14.040 4.439 1.00 0.78 H new ATOM 0 HD1 PHE A 56 0.363 -14.837 6.273 1.00 2.02 H new ATOM 0 HD2 PHE A 56 -1.777 -16.094 2.811 1.00 1.07 H new ATOM 0 HE1 PHE A 56 1.387 -17.064 6.447 1.00 2.87 H new ATOM 0 HE2 PHE A 56 -0.764 -18.320 2.986 1.00 1.81 H new ATOM 0 HZ PHE A 56 0.822 -18.813 4.804 1.00 2.74 H new ATOM 837 N ILE A 57 -2.480 -12.000 1.672 1.00 0.57 N ATOM 838 CA ILE A 57 -3.262 -10.851 1.241 1.00 0.53 C ATOM 839 C ILE A 57 -4.700 -10.937 1.735 1.00 0.58 C ATOM 840 O ILE A 57 -4.993 -11.735 2.621 1.00 0.68 O ATOM 841 CB ILE A 57 -3.230 -10.688 -0.289 1.00 0.51 C ATOM 842 CG1 ILE A 57 -3.106 -12.036 -0.989 1.00 0.53 C ATOM 843 CG2 ILE A 57 -2.101 -9.760 -0.707 1.00 0.52 C ATOM 844 CD1 ILE A 57 -3.039 -11.897 -2.485 1.00 0.61 C ATOM 0 H ILE A 57 -2.453 -12.767 1.000 1.00 0.57 H new ATOM 0 HA ILE A 57 -2.802 -9.969 1.686 1.00 0.53 H new ATOM 0 HB ILE A 57 -4.176 -10.241 -0.595 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -2.211 -12.547 -0.633 1.00 0.53 H new ATOM 0 HG13 ILE A 57 -3.958 -12.662 -0.722 1.00 0.53 H new ATOM 0 HG21 ILE A 57 -2.096 -9.659 -1.792 1.00 0.52 H new ATOM 0 HG22 ILE A 57 -2.248 -8.781 -0.252 1.00 0.52 H new ATOM 0 HG23 ILE A 57 -1.148 -10.174 -0.377 1.00 0.52 H new ATOM 0 HD11 ILE A 57 -2.951 -12.884 -2.939 1.00 0.61 H new ATOM 0 HD12 ILE A 57 -3.945 -11.411 -2.846 1.00 0.61 H new ATOM 0 HD13 ILE A 57 -2.172 -11.295 -2.756 1.00 0.61 H new ATOM 851 N MET A 58 -5.580 -10.106 1.156 1.00 0.56 N ATOM 852 CA MET A 58 -6.971 -9.977 1.613 1.00 0.61 C ATOM 853 C MET A 58 -7.589 -11.336 1.942 1.00 0.70 C ATOM 854 O MET A 58 -8.234 -11.505 2.975 1.00 0.79 O ATOM 855 CB MET A 58 -7.868 -9.321 0.553 1.00 0.75 C ATOM 856 CG MET A 58 -7.289 -8.132 -0.205 1.00 0.60 C ATOM 857 SD MET A 58 -8.607 -7.019 -0.760 1.00 0.77 S ATOM 858 CE MET A 58 -7.954 -6.367 -2.301 1.00 0.91 C ATOM 0 H MET A 58 -5.349 -9.508 0.363 1.00 0.56 H new ATOM 0 HA MET A 58 -6.923 -9.353 2.505 1.00 0.61 H new ATOM 0 HB2 MET A 58 -8.146 -10.084 -0.175 1.00 0.75 H new ATOM 0 HB3 MET A 58 -8.787 -8.996 1.041 1.00 0.75 H new ATOM 0 HG2 MET A 58 -6.595 -7.589 0.436 1.00 0.60 H new ATOM 0 HG3 MET A 58 -6.719 -8.485 -1.064 1.00 0.60 H new ATOM 0 HE1 MET A 58 -8.673 -5.672 -2.736 1.00 0.91 H new ATOM 0 HE2 MET A 58 -7.017 -5.845 -2.107 1.00 0.91 H new ATOM 0 HE3 MET A 58 -7.776 -7.187 -2.996 1.00 0.91 H new ATOM 868 N ASN A 59 -7.393 -12.300 1.047 1.00 0.78 N ATOM 869 CA ASN A 59 -8.022 -13.608 1.193 1.00 0.98 C ATOM 870 C ASN A 59 -6.971 -14.724 1.266 1.00 0.95 C ATOM 871 O ASN A 59 -7.173 -15.728 1.945 1.00 1.12 O ATOM 872 CB ASN A 59 -8.991 -13.854 0.031 1.00 1.17 C ATOM 873 CG ASN A 59 -8.273 -14.204 -1.253 1.00 1.50 C ATOM 874 OD1 ASN A 59 -8.102 -15.371 -1.569 1.00 2.28 O ATOM 875 ND2 ASN A 59 -7.837 -13.197 -1.997 1.00 1.66 N ATOM 0 H ASN A 59 -6.807 -12.201 0.218 1.00 0.78 H new ATOM 0 HA ASN A 59 -8.581 -13.618 2.129 1.00 0.98 H new ATOM 0 HB2 ASN A 59 -9.673 -14.662 0.295 1.00 1.17 H new ATOM 0 HB3 ASN A 59 -9.599 -12.963 -0.127 1.00 1.17 H new ATOM 0 HD21 ASN A 59 -7.339 -13.384 -2.867 1.00 1.66 H new ATOM 0 HD22 ASN A 59 -7.999 -12.235 -1.699 1.00 1.66 H new ATOM 882 N GLY A 60 -5.854 -14.548 0.556 1.00 0.86 N ATOM 883 CA GLY A 60 -4.744 -15.481 0.690 1.00 0.96 C ATOM 884 C GLY A 60 -4.551 -16.436 -0.484 1.00 1.09 C ATOM 885 O GLY A 60 -3.521 -17.100 -0.562 1.00 1.21 O ATOM 0 H GLY A 60 -5.700 -13.784 -0.102 1.00 0.86 H new ATOM 0 HA2 GLY A 60 -3.826 -14.910 0.828 1.00 0.96 H new ATOM 0 HA3 GLY A 60 -4.893 -16.069 1.595 1.00 0.96 H new ATOM 889 N SER A 61 -5.514 -16.522 -1.395 1.00 1.15 N ATOM 890 CA SER A 61 -5.378 -17.417 -2.550 1.00 1.32 C ATOM 891 C SER A 61 -4.238 -16.970 -3.463 1.00 1.22 C ATOM 892 O SER A 61 -3.310 -17.730 -3.743 1.00 1.35 O ATOM 893 CB SER A 61 -6.686 -17.473 -3.342 1.00 1.51 C ATOM 894 OG SER A 61 -7.089 -16.178 -3.765 1.00 2.18 O ATOM 0 H SER A 61 -6.386 -15.994 -1.363 1.00 1.15 H new ATOM 0 HA SER A 61 -5.147 -18.413 -2.172 1.00 1.32 H new ATOM 0 HB2 SER A 61 -6.560 -18.119 -4.211 1.00 1.51 H new ATOM 0 HB3 SER A 61 -7.468 -17.916 -2.726 1.00 1.51 H new ATOM 0 HG SER A 61 -7.787 -15.841 -3.166 1.00 2.18 H new ATOM 900 N ARG A 62 -4.316 -15.725 -3.905 1.00 1.08 N ATOM 901 CA ARG A 62 -3.306 -15.129 -4.775 1.00 1.05 C ATOM 902 C ARG A 62 -2.119 -14.641 -3.953 1.00 1.03 C ATOM 903 O ARG A 62 -1.424 -13.706 -4.356 1.00 1.46 O ATOM 904 CB ARG A 62 -3.914 -13.940 -5.515 1.00 1.14 C ATOM 905 CG ARG A 62 -5.193 -14.269 -6.257 1.00 1.69 C ATOM 906 CD ARG A 62 -5.980 -13.009 -6.570 1.00 1.79 C ATOM 907 NE ARG A 62 -5.213 -12.061 -7.376 1.00 2.06 N ATOM 908 CZ ARG A 62 -5.562 -10.788 -7.568 1.00 2.25 C ATOM 909 NH1 ARG A 62 -6.685 -10.316 -7.038 1.00 2.23 N ATOM 910 NH2 ARG A 62 -4.789 -9.997 -8.296 1.00 2.89 N ATOM 0 H ARG A 62 -5.083 -15.094 -3.672 1.00 1.08 H new ATOM 0 HA ARG A 62 -2.966 -15.883 -5.485 1.00 1.05 H new ATOM 0 HB2 ARG A 62 -4.115 -13.143 -4.799 1.00 1.14 H new ATOM 0 HB3 ARG A 62 -3.183 -13.553 -6.225 1.00 1.14 H new ATOM 0 HG2 ARG A 62 -4.956 -14.793 -7.183 1.00 1.69 H new ATOM 0 HG3 ARG A 62 -5.803 -14.943 -5.656 1.00 1.69 H new ATOM 0 HD2 ARG A 62 -6.894 -13.277 -7.100 1.00 1.79 H new ATOM 0 HD3 ARG A 62 -6.280 -12.530 -5.638 1.00 1.79 H new ATOM 0 HE ARG A 62 -4.357 -12.394 -7.820 1.00 2.06 H new ATOM 0 HH11 ARG A 62 -7.283 -10.928 -6.482 1.00 2.23 H new ATOM 0 HH12 ARG A 62 -6.949 -9.342 -7.187 1.00 2.23 H new ATOM 0 HH21 ARG A 62 -3.930 -10.362 -8.708 1.00 2.89 H new ATOM 0 HH22 ARG A 62 -5.053 -9.023 -8.445 1.00 2.89 H new ATOM 924 N ARG A 63 -1.911 -15.280 -2.802 1.00 0.89 N ATOM 925 CA ARG A 63 -0.974 -14.805 -1.787 1.00 0.87 C ATOM 926 C ARG A 63 0.372 -14.400 -2.381 1.00 0.75 C ATOM 927 O ARG A 63 0.942 -15.114 -3.209 1.00 0.75 O ATOM 928 CB ARG A 63 -0.771 -15.864 -0.698 1.00 0.98 C ATOM 929 CG ARG A 63 -0.208 -17.184 -1.197 1.00 1.56 C ATOM 930 CD ARG A 63 -0.141 -18.204 -0.074 1.00 1.54 C ATOM 931 NE ARG A 63 0.504 -19.449 -0.488 1.00 2.34 N ATOM 932 CZ ARG A 63 0.231 -20.641 0.049 1.00 2.60 C ATOM 933 NH1 ARG A 63 -0.714 -20.752 0.976 1.00 2.07 N ATOM 934 NH2 ARG A 63 0.898 -21.720 -0.343 1.00 3.59 N ATOM 0 H ARG A 63 -2.390 -16.144 -2.548 1.00 0.89 H new ATOM 0 HA ARG A 63 -1.417 -13.913 -1.343 1.00 0.87 H new ATOM 0 HB2 ARG A 63 -0.100 -15.462 0.061 1.00 0.98 H new ATOM 0 HB3 ARG A 63 -1.727 -16.053 -0.210 1.00 0.98 H new ATOM 0 HG2 ARG A 63 -0.831 -17.567 -2.005 1.00 1.56 H new ATOM 0 HG3 ARG A 63 0.788 -17.026 -1.610 1.00 1.56 H new ATOM 0 HD2 ARG A 63 0.405 -17.778 0.768 1.00 1.54 H new ATOM 0 HD3 ARG A 63 -1.150 -18.420 0.277 1.00 1.54 H new ATOM 0 HE ARG A 63 1.203 -19.405 -1.230 1.00 2.34 H new ATOM 0 HH11 ARG A 63 -1.232 -19.927 1.278 1.00 2.07 H new ATOM 0 HH12 ARG A 63 -0.922 -21.663 1.386 1.00 2.07 H new ATOM 0 HH21 ARG A 63 1.622 -21.641 -1.057 1.00 3.59 H new ATOM 0 HH22 ARG A 63 0.686 -22.628 0.070 1.00 3.59 H new ATOM 948 N ARG A 64 0.847 -13.231 -1.954 1.00 0.70 N ATOM 949 CA ARG A 64 2.147 -12.703 -2.355 1.00 0.62 C ATOM 950 C ARG A 64 2.138 -12.209 -3.803 1.00 0.57 C ATOM 951 O ARG A 64 2.577 -12.897 -4.728 1.00 0.77 O ATOM 952 CB ARG A 64 3.246 -13.737 -2.135 1.00 0.71 C ATOM 953 CG ARG A 64 4.630 -13.242 -2.473 1.00 0.77 C ATOM 954 CD ARG A 64 5.223 -12.410 -1.353 1.00 0.75 C ATOM 955 NE ARG A 64 6.664 -12.240 -1.545 1.00 1.06 N ATOM 956 CZ ARG A 64 7.530 -13.250 -1.676 1.00 1.34 C ATOM 957 NH1 ARG A 64 7.130 -14.511 -1.539 1.00 1.98 N ATOM 958 NH2 ARG A 64 8.796 -12.986 -1.953 1.00 1.56 N ATOM 0 H ARG A 64 0.336 -12.621 -1.316 1.00 0.70 H new ATOM 0 HA ARG A 64 2.358 -11.842 -1.721 1.00 0.62 H new ATOM 0 HB2 ARG A 64 3.229 -14.054 -1.092 1.00 0.71 H new ATOM 0 HB3 ARG A 64 3.028 -14.618 -2.739 1.00 0.71 H new ATOM 0 HG2 ARG A 64 5.280 -14.093 -2.676 1.00 0.77 H new ATOM 0 HG3 ARG A 64 4.590 -12.647 -3.385 1.00 0.77 H new ATOM 0 HD2 ARG A 64 4.737 -11.435 -1.321 1.00 0.75 H new ATOM 0 HD3 ARG A 64 5.033 -12.893 -0.394 1.00 0.75 H new ATOM 0 HE ARG A 64 7.031 -11.289 -1.581 1.00 1.06 H new ATOM 0 HH11 ARG A 64 6.153 -14.716 -1.332 1.00 1.98 H new ATOM 0 HH12 ARG A 64 7.801 -15.273 -1.641 1.00 1.98 H new ATOM 0 HH21 ARG A 64 9.103 -12.020 -2.064 1.00 1.56 H new ATOM 0 HH22 ARG A 64 9.465 -13.749 -2.055 1.00 1.56 H new ATOM 972 N THR A 65 1.625 -11.005 -3.976 1.00 0.44 N ATOM 973 CA THR A 65 1.679 -10.298 -5.244 1.00 0.40 C ATOM 974 C THR A 65 2.732 -9.193 -5.133 1.00 0.35 C ATOM 975 O THR A 65 2.914 -8.662 -4.050 1.00 0.33 O ATOM 976 CB THR A 65 0.287 -9.704 -5.591 1.00 0.40 C ATOM 977 OG1 THR A 65 0.400 -8.678 -6.585 1.00 0.41 O ATOM 978 CG2 THR A 65 -0.397 -9.146 -4.347 1.00 0.40 C ATOM 0 H THR A 65 1.155 -10.485 -3.235 1.00 0.44 H new ATOM 0 HA THR A 65 1.952 -10.984 -6.046 1.00 0.40 H new ATOM 0 HB THR A 65 -0.323 -10.514 -5.991 1.00 0.40 H new ATOM 0 HG1 THR A 65 -0.489 -8.320 -6.788 1.00 0.41 H new ATOM 0 HG21 THR A 65 -1.370 -8.737 -4.619 1.00 0.40 H new ATOM 0 HG22 THR A 65 -0.531 -9.944 -3.617 1.00 0.40 H new ATOM 0 HG23 THR A 65 0.220 -8.358 -3.915 1.00 0.40 H new ATOM 986 N PRO A 66 3.442 -8.840 -6.226 1.00 0.36 N ATOM 987 CA PRO A 66 4.540 -7.844 -6.203 1.00 0.35 C ATOM 988 C PRO A 66 4.185 -6.588 -5.429 1.00 0.27 C ATOM 989 O PRO A 66 4.826 -6.279 -4.427 1.00 0.26 O ATOM 990 CB PRO A 66 4.744 -7.518 -7.694 1.00 0.42 C ATOM 991 CG PRO A 66 3.563 -8.124 -8.383 1.00 0.44 C ATOM 992 CD PRO A 66 3.232 -9.341 -7.583 1.00 0.43 C ATOM 0 HA PRO A 66 5.428 -8.232 -5.703 1.00 0.35 H new ATOM 0 HB2 PRO A 66 4.790 -6.442 -7.861 1.00 0.42 H new ATOM 0 HB3 PRO A 66 5.678 -7.939 -8.067 1.00 0.42 H new ATOM 0 HG2 PRO A 66 2.723 -7.430 -8.411 1.00 0.44 H new ATOM 0 HG3 PRO A 66 3.798 -8.382 -9.416 1.00 0.44 H new ATOM 0 HD2 PRO A 66 2.208 -9.677 -7.746 1.00 0.43 H new ATOM 0 HD3 PRO A 66 3.885 -10.181 -7.819 1.00 0.43 H new ATOM 1000 N GLY A 67 3.140 -5.896 -5.859 1.00 0.25 N ATOM 1001 CA GLY A 67 2.682 -4.740 -5.120 1.00 0.21 C ATOM 1002 C GLY A 67 2.207 -5.136 -3.744 1.00 0.20 C ATOM 1003 O GLY A 67 2.515 -4.481 -2.755 1.00 0.23 O ATOM 0 H GLY A 67 2.605 -6.113 -6.700 1.00 0.25 H new ATOM 0 HA2 GLY A 67 3.490 -4.014 -5.035 1.00 0.21 H new ATOM 0 HA3 GLY A 67 1.872 -4.253 -5.663 1.00 0.21 H new ATOM 1007 N GLY A 68 1.504 -6.262 -3.692 1.00 0.23 N ATOM 1008 CA GLY A 68 0.966 -6.788 -2.452 1.00 0.28 C ATOM 1009 C GLY A 68 2.025 -7.013 -1.385 1.00 0.27 C ATOM 1010 O GLY A 68 1.734 -6.939 -0.191 1.00 0.30 O ATOM 0 H GLY A 68 1.293 -6.833 -4.511 1.00 0.23 H new ATOM 0 HA2 GLY A 68 0.214 -6.098 -2.068 1.00 0.28 H new ATOM 0 HA3 GLY A 68 0.459 -7.731 -2.655 1.00 0.28 H new ATOM 1014 N VAL A 69 3.248 -7.305 -1.809 1.00 0.27 N ATOM 1015 CA VAL A 69 4.349 -7.529 -0.882 1.00 0.27 C ATOM 1016 C VAL A 69 4.703 -6.233 -0.173 1.00 0.24 C ATOM 1017 O VAL A 69 5.086 -6.232 0.995 1.00 0.23 O ATOM 1018 CB VAL A 69 5.594 -8.089 -1.596 1.00 0.31 C ATOM 1019 CG1 VAL A 69 6.683 -8.416 -0.605 1.00 0.64 C ATOM 1020 CG2 VAL A 69 5.244 -9.334 -2.366 1.00 0.74 C ATOM 0 H VAL A 69 3.503 -7.392 -2.793 1.00 0.27 H new ATOM 0 HA VAL A 69 4.021 -8.270 -0.153 1.00 0.27 H new ATOM 0 HB VAL A 69 5.953 -7.322 -2.282 1.00 0.31 H new ATOM 0 HG11 VAL A 69 7.551 -8.810 -1.135 1.00 0.64 H new ATOM 0 HG12 VAL A 69 6.967 -7.513 -0.065 1.00 0.64 H new ATOM 0 HG13 VAL A 69 6.320 -9.162 0.101 1.00 0.64 H new ATOM 0 HG21 VAL A 69 6.135 -9.716 -2.864 1.00 0.74 H new ATOM 0 HG22 VAL A 69 4.859 -10.089 -1.681 1.00 0.74 H new ATOM 0 HG23 VAL A 69 4.484 -9.099 -3.111 1.00 0.74 H new ATOM 1024 N PHE A 70 4.555 -5.129 -0.883 1.00 0.22 N ATOM 1025 CA PHE A 70 4.682 -3.824 -0.273 1.00 0.20 C ATOM 1026 C PHE A 70 3.558 -3.629 0.739 1.00 0.20 C ATOM 1027 O PHE A 70 3.753 -3.004 1.776 1.00 0.20 O ATOM 1028 CB PHE A 70 4.664 -2.718 -1.333 1.00 0.22 C ATOM 1029 CG PHE A 70 4.610 -1.329 -0.766 1.00 0.20 C ATOM 1030 CD1 PHE A 70 3.415 -0.824 -0.290 1.00 0.23 C ATOM 1031 CD2 PHE A 70 5.746 -0.533 -0.703 1.00 0.21 C ATOM 1032 CE1 PHE A 70 3.340 0.438 0.239 1.00 0.26 C ATOM 1033 CE2 PHE A 70 5.680 0.739 -0.175 1.00 0.24 C ATOM 1034 CZ PHE A 70 4.475 1.228 0.298 1.00 0.25 C ATOM 0 H PHE A 70 4.347 -5.113 -1.881 1.00 0.22 H new ATOM 0 HA PHE A 70 5.640 -3.764 0.243 1.00 0.20 H new ATOM 0 HB2 PHE A 70 5.554 -2.811 -1.955 1.00 0.22 H new ATOM 0 HB3 PHE A 70 3.803 -2.867 -1.984 1.00 0.22 H new ATOM 0 HD1 PHE A 70 2.525 -1.434 -0.336 1.00 0.23 H new ATOM 0 HD2 PHE A 70 6.688 -0.913 -1.070 1.00 0.21 H new ATOM 0 HE1 PHE A 70 2.398 0.815 0.609 1.00 0.26 H new ATOM 0 HE2 PHE A 70 6.568 1.353 -0.131 1.00 0.24 H new ATOM 0 HZ PHE A 70 4.420 2.224 0.712 1.00 0.25 H new ATOM 1044 N LEU A 71 2.372 -4.159 0.437 1.00 0.21 N ATOM 1045 CA LEU A 71 1.245 -4.048 1.365 1.00 0.24 C ATOM 1046 C LEU A 71 1.649 -4.681 2.694 1.00 0.24 C ATOM 1047 O LEU A 71 1.281 -4.196 3.764 1.00 0.26 O ATOM 1048 CB LEU A 71 -0.048 -4.747 0.879 1.00 0.31 C ATOM 1049 CG LEU A 71 -0.681 -4.353 -0.480 1.00 0.28 C ATOM 1050 CD1 LEU A 71 -1.972 -3.608 -0.276 1.00 0.32 C ATOM 1051 CD2 LEU A 71 0.230 -3.511 -1.330 1.00 0.30 C ATOM 0 H LEU A 71 2.168 -4.661 -0.427 1.00 0.21 H new ATOM 0 HA LEU A 71 1.020 -2.985 1.452 1.00 0.24 H new ATOM 0 HB2 LEU A 71 0.157 -5.817 0.843 1.00 0.31 H new ATOM 0 HB3 LEU A 71 -0.807 -4.593 1.646 1.00 0.31 H new ATOM 0 HG LEU A 71 -0.864 -5.291 -1.004 1.00 0.28 H new ATOM 0 HD11 LEU A 71 -2.396 -3.343 -1.245 1.00 0.32 H new ATOM 0 HD12 LEU A 71 -2.675 -4.240 0.267 1.00 0.32 H new ATOM 0 HD13 LEU A 71 -1.782 -2.701 0.297 1.00 0.32 H new ATOM 0 HD21 LEU A 71 -0.269 -3.268 -2.268 1.00 0.30 H new ATOM 0 HD22 LEU A 71 0.475 -2.591 -0.800 1.00 0.30 H new ATOM 0 HD23 LEU A 71 1.146 -4.064 -1.539 1.00 0.30 H new ATOM 1063 N ASN A 72 2.431 -5.765 2.606 1.00 0.24 N ATOM 1064 CA ASN A 72 2.938 -6.473 3.784 1.00 0.27 C ATOM 1065 C ASN A 72 3.718 -5.507 4.676 1.00 0.26 C ATOM 1066 O ASN A 72 3.649 -5.574 5.904 1.00 0.34 O ATOM 1067 CB ASN A 72 3.848 -7.646 3.365 1.00 0.31 C ATOM 1068 CG ASN A 72 4.119 -8.628 4.500 1.00 0.46 C ATOM 1069 OD1 ASN A 72 4.053 -8.279 5.677 1.00 1.08 O ATOM 1070 ND2 ASN A 72 4.442 -9.863 4.153 1.00 0.67 N ATOM 0 H ASN A 72 2.728 -6.173 1.719 1.00 0.24 H new ATOM 0 HA ASN A 72 2.089 -6.873 4.338 1.00 0.27 H new ATOM 0 HB2 ASN A 72 3.385 -8.179 2.535 1.00 0.31 H new ATOM 0 HB3 ASN A 72 4.796 -7.250 3.001 1.00 0.31 H new ATOM 0 HD21 ASN A 72 4.645 -10.558 4.871 1.00 0.67 H new ATOM 0 HD22 ASN A 72 4.488 -10.120 3.167 1.00 0.67 H new ATOM 1077 N LEU A 73 4.407 -4.576 4.031 1.00 0.23 N ATOM 1078 CA LEU A 73 5.263 -3.608 4.707 1.00 0.25 C ATOM 1079 C LEU A 73 4.500 -2.780 5.722 1.00 0.36 C ATOM 1080 O LEU A 73 5.027 -2.456 6.776 1.00 0.46 O ATOM 1081 CB LEU A 73 5.899 -2.674 3.689 1.00 0.23 C ATOM 1082 CG LEU A 73 6.854 -3.350 2.726 1.00 0.20 C ATOM 1083 CD1 LEU A 73 7.356 -2.346 1.715 1.00 0.35 C ATOM 1084 CD2 LEU A 73 8.001 -3.951 3.506 1.00 0.27 C ATOM 0 H LEU A 73 4.388 -4.469 3.017 1.00 0.23 H new ATOM 0 HA LEU A 73 6.030 -4.174 5.236 1.00 0.25 H new ATOM 0 HB2 LEU A 73 5.109 -2.189 3.116 1.00 0.23 H new ATOM 0 HB3 LEU A 73 6.435 -1.888 4.221 1.00 0.23 H new ATOM 0 HG LEU A 73 6.340 -4.146 2.188 1.00 0.20 H new ATOM 0 HD11 LEU A 73 8.042 -2.837 1.025 1.00 0.35 H new ATOM 0 HD12 LEU A 73 6.513 -1.937 1.159 1.00 0.35 H new ATOM 0 HD13 LEU A 73 7.876 -1.539 2.231 1.00 0.35 H new ATOM 0 HD21 LEU A 73 8.692 -4.439 2.819 1.00 0.27 H new ATOM 0 HD22 LEU A 73 8.524 -3.164 4.048 1.00 0.27 H new ATOM 0 HD23 LEU A 73 7.615 -4.684 4.214 1.00 0.27 H new ATOM 1096 N LEU A 74 3.261 -2.438 5.406 1.00 0.41 N ATOM 1097 CA LEU A 74 2.464 -1.619 6.303 1.00 0.58 C ATOM 1098 C LEU A 74 2.171 -2.374 7.597 1.00 0.66 C ATOM 1099 O LEU A 74 2.032 -1.783 8.655 1.00 0.80 O ATOM 1100 CB LEU A 74 1.162 -1.165 5.636 1.00 0.63 C ATOM 1101 CG LEU A 74 1.319 -0.154 4.492 1.00 0.49 C ATOM 1102 CD1 LEU A 74 1.704 -0.852 3.195 1.00 1.08 C ATOM 1103 CD2 LEU A 74 0.041 0.653 4.310 1.00 0.78 C ATOM 0 H LEU A 74 2.790 -2.712 4.544 1.00 0.41 H new ATOM 0 HA LEU A 74 3.042 -0.727 6.543 1.00 0.58 H new ATOM 0 HB2 LEU A 74 0.646 -2.045 5.251 1.00 0.63 H new ATOM 0 HB3 LEU A 74 0.518 -0.726 6.398 1.00 0.63 H new ATOM 0 HG LEU A 74 2.124 0.532 4.756 1.00 0.49 H new ATOM 0 HD11 LEU A 74 1.809 -0.113 2.401 1.00 1.08 H new ATOM 0 HD12 LEU A 74 2.650 -1.375 3.331 1.00 1.08 H new ATOM 0 HD13 LEU A 74 0.929 -1.569 2.923 1.00 1.08 H new ATOM 0 HD21 LEU A 74 0.173 1.364 3.494 1.00 0.78 H new ATOM 0 HD22 LEU A 74 -0.784 -0.020 4.075 1.00 0.78 H new ATOM 0 HD23 LEU A 74 -0.182 1.193 5.230 1.00 0.78 H new ATOM 1115 N LYS A 75 2.112 -3.689 7.515 1.00 0.66 N ATOM 1116 CA LYS A 75 1.909 -4.502 8.704 1.00 0.82 C ATOM 1117 C LYS A 75 3.218 -4.690 9.455 1.00 0.77 C ATOM 1118 O LYS A 75 3.264 -4.612 10.681 1.00 0.95 O ATOM 1119 CB LYS A 75 1.347 -5.876 8.343 1.00 1.04 C ATOM 1120 CG LYS A 75 -0.153 -5.914 8.106 1.00 0.81 C ATOM 1121 CD LYS A 75 -0.541 -5.337 6.755 1.00 0.71 C ATOM 1122 CE LYS A 75 0.071 -6.115 5.596 1.00 0.70 C ATOM 1123 NZ LYS A 75 0.042 -7.589 5.814 1.00 1.93 N ATOM 0 H LYS A 75 2.201 -4.216 6.646 1.00 0.66 H new ATOM 0 HA LYS A 75 1.194 -3.977 9.337 1.00 0.82 H new ATOM 0 HB2 LYS A 75 1.851 -6.233 7.445 1.00 1.04 H new ATOM 0 HB3 LYS A 75 1.591 -6.574 9.144 1.00 1.04 H new ATOM 0 HG2 LYS A 75 -0.502 -6.944 8.172 1.00 0.81 H new ATOM 0 HG3 LYS A 75 -0.657 -5.355 8.895 1.00 0.81 H new ATOM 0 HD2 LYS A 75 -1.627 -5.341 6.659 1.00 0.71 H new ATOM 0 HD3 LYS A 75 -0.220 -4.297 6.701 1.00 0.71 H new ATOM 0 HE2 LYS A 75 -0.468 -5.877 4.679 1.00 0.70 H new ATOM 0 HE3 LYS A 75 1.102 -5.793 5.452 1.00 0.70 H new ATOM 0 HZ1 LYS A 75 0.244 -8.077 4.918 1.00 1.93 H new ATOM 0 HZ2 LYS A 75 0.760 -7.850 6.520 1.00 1.93 H new ATOM 0 HZ3 LYS A 75 -0.899 -7.871 6.157 1.00 1.93 H new ATOM 1137 N ASN A 76 4.280 -4.942 8.705 1.00 0.64 N ATOM 1138 CA ASN A 76 5.569 -5.280 9.292 1.00 0.69 C ATOM 1139 C ASN A 76 6.502 -4.076 9.313 1.00 0.61 C ATOM 1140 O ASN A 76 7.724 -4.229 9.310 1.00 0.79 O ATOM 1141 CB ASN A 76 6.219 -6.436 8.516 1.00 0.81 C ATOM 1142 CG ASN A 76 5.515 -7.769 8.728 1.00 1.22 C ATOM 1143 OD1 ASN A 76 4.319 -7.824 9.022 1.00 1.80 O ATOM 1144 ND2 ASN A 76 6.254 -8.857 8.565 1.00 2.12 N ATOM 0 H ASN A 76 4.275 -4.919 7.685 1.00 0.64 H new ATOM 0 HA ASN A 76 5.396 -5.591 10.322 1.00 0.69 H new ATOM 0 HB2 ASN A 76 6.219 -6.197 7.453 1.00 0.81 H new ATOM 0 HB3 ASN A 76 7.261 -6.530 8.821 1.00 0.81 H new ATOM 0 HD21 ASN A 76 5.836 -9.780 8.683 1.00 2.12 H new ATOM 0 HD22 ASN A 76 7.241 -8.771 8.322 1.00 2.12 H new ATOM 1151 N THR A 77 5.934 -2.879 9.338 1.00 0.54 N ATOM 1152 CA THR A 77 6.740 -1.672 9.393 1.00 0.60 C ATOM 1153 C THR A 77 7.192 -1.397 10.820 1.00 0.56 C ATOM 1154 O THR A 77 6.385 -1.337 11.750 1.00 0.61 O ATOM 1155 CB THR A 77 6.008 -0.441 8.825 1.00 0.75 C ATOM 1156 OG1 THR A 77 6.822 0.733 8.977 1.00 0.94 O ATOM 1157 CG2 THR A 77 4.667 -0.227 9.510 1.00 0.78 C ATOM 0 H THR A 77 4.927 -2.720 9.321 1.00 0.54 H new ATOM 0 HA THR A 77 7.611 -1.849 8.762 1.00 0.60 H new ATOM 0 HB THR A 77 5.825 -0.623 7.766 1.00 0.75 H new ATOM 0 HG1 THR A 77 6.627 1.362 8.252 1.00 0.94 H new ATOM 0 HG21 THR A 77 4.177 0.649 9.085 1.00 0.78 H new ATOM 0 HG22 THR A 77 4.037 -1.104 9.359 1.00 0.78 H new ATOM 0 HG23 THR A 77 4.824 -0.073 10.578 1.00 0.78 H new ATOM 1165 N PRO A 78 8.506 -1.266 11.009 1.00 0.63 N ATOM 1166 CA PRO A 78 9.110 -1.072 12.321 1.00 0.67 C ATOM 1167 C PRO A 78 8.931 0.348 12.857 1.00 0.70 C ATOM 1168 O PRO A 78 9.226 0.618 14.021 1.00 0.84 O ATOM 1169 CB PRO A 78 10.599 -1.379 12.082 1.00 0.92 C ATOM 1170 CG PRO A 78 10.713 -1.817 10.655 1.00 1.00 C ATOM 1171 CD PRO A 78 9.519 -1.264 9.951 1.00 0.84 C ATOM 0 HA PRO A 78 8.645 -1.709 13.073 1.00 0.67 H new ATOM 0 HB2 PRO A 78 11.213 -0.498 12.269 1.00 0.92 H new ATOM 0 HB3 PRO A 78 10.949 -2.160 12.758 1.00 0.92 H new ATOM 0 HG2 PRO A 78 11.635 -1.446 10.207 1.00 1.00 H new ATOM 0 HG3 PRO A 78 10.738 -2.904 10.583 1.00 1.00 H new ATOM 0 HD2 PRO A 78 9.702 -0.261 9.565 1.00 0.84 H new ATOM 0 HD3 PRO A 78 9.224 -1.883 9.104 1.00 0.84 H new ATOM 1179 N SER A 79 8.453 1.253 12.010 1.00 0.75 N ATOM 1180 CA SER A 79 8.438 2.672 12.349 1.00 0.96 C ATOM 1181 C SER A 79 7.026 3.228 12.557 1.00 0.91 C ATOM 1182 O SER A 79 6.857 4.259 13.208 1.00 1.06 O ATOM 1183 CB SER A 79 9.130 3.459 11.239 1.00 1.23 C ATOM 1184 OG SER A 79 10.379 2.875 10.903 1.00 1.49 O ATOM 0 H SER A 79 8.073 1.032 11.090 1.00 0.75 H new ATOM 0 HA SER A 79 8.965 2.780 13.297 1.00 0.96 H new ATOM 0 HB2 SER A 79 8.490 3.490 10.357 1.00 1.23 H new ATOM 0 HB3 SER A 79 9.281 4.490 11.559 1.00 1.23 H new ATOM 0 HG SER A 79 10.802 3.396 10.189 1.00 1.49 H new ATOM 1190 N ILE A 80 6.015 2.554 12.022 1.00 0.76 N ATOM 1191 CA ILE A 80 4.663 3.112 12.004 1.00 0.76 C ATOM 1192 C ILE A 80 3.731 2.337 12.930 1.00 0.74 C ATOM 1193 O ILE A 80 3.804 1.110 13.015 1.00 0.67 O ATOM 1194 CB ILE A 80 4.085 3.105 10.573 1.00 0.69 C ATOM 1195 CG1 ILE A 80 5.130 3.635 9.588 1.00 0.89 C ATOM 1196 CG2 ILE A 80 2.812 3.949 10.504 1.00 0.76 C ATOM 1197 CD1 ILE A 80 4.792 3.376 8.137 1.00 1.21 C ATOM 0 H ILE A 80 6.101 1.630 11.598 1.00 0.76 H new ATOM 0 HA ILE A 80 4.733 4.140 12.358 1.00 0.76 H new ATOM 0 HB ILE A 80 3.830 2.080 10.302 1.00 0.69 H new ATOM 0 HG12 ILE A 80 5.245 4.709 9.738 1.00 0.89 H new ATOM 0 HG13 ILE A 80 6.093 3.177 9.814 1.00 0.89 H new ATOM 0 HG21 ILE A 80 2.419 3.932 9.487 1.00 0.76 H new ATOM 0 HG22 ILE A 80 2.068 3.541 11.188 1.00 0.76 H new ATOM 0 HG23 ILE A 80 3.041 4.976 10.788 1.00 0.76 H new ATOM 0 HD11 ILE A 80 5.580 3.781 7.502 1.00 1.21 H new ATOM 0 HD12 ILE A 80 4.707 2.302 7.969 1.00 1.21 H new ATOM 0 HD13 ILE A 80 3.845 3.858 7.892 1.00 1.21 H new ATOM 1204 N SER A 81 2.872 3.064 13.637 1.00 0.90 N ATOM 1205 CA SER A 81 1.917 2.452 14.544 1.00 1.01 C ATOM 1206 C SER A 81 0.765 1.832 13.752 1.00 0.88 C ATOM 1207 O SER A 81 0.303 2.387 12.751 1.00 0.74 O ATOM 1208 CB SER A 81 1.388 3.488 15.538 1.00 1.26 C ATOM 1209 OG SER A 81 0.669 2.869 16.592 1.00 1.79 O ATOM 0 H SER A 81 2.820 4.082 13.596 1.00 0.90 H new ATOM 0 HA SER A 81 2.419 1.664 15.105 1.00 1.01 H new ATOM 0 HB2 SER A 81 2.220 4.059 15.949 1.00 1.26 H new ATOM 0 HB3 SER A 81 0.741 4.196 15.020 1.00 1.26 H new ATOM 0 HG SER A 81 0.807 1.899 16.557 1.00 1.79 H new ATOM 1215 N GLU A 82 0.315 0.678 14.237 1.00 0.99 N ATOM 1216 CA GLU A 82 -0.609 -0.203 13.523 1.00 0.96 C ATOM 1217 C GLU A 82 -1.915 0.485 13.137 1.00 0.84 C ATOM 1218 O GLU A 82 -2.462 0.219 12.068 1.00 0.75 O ATOM 1219 CB GLU A 82 -0.929 -1.438 14.374 1.00 1.22 C ATOM 1220 CG GLU A 82 0.286 -2.070 15.042 1.00 1.50 C ATOM 1221 CD GLU A 82 0.592 -1.463 16.401 1.00 2.29 C ATOM 1222 OE1 GLU A 82 0.203 -2.051 17.432 1.00 2.89 O ATOM 1223 OE2 GLU A 82 1.230 -0.390 16.445 1.00 2.75 O ATOM 0 H GLU A 82 0.586 0.321 15.153 1.00 0.99 H new ATOM 0 HA GLU A 82 -0.104 -0.492 12.601 1.00 0.96 H new ATOM 0 HB2 GLU A 82 -1.648 -1.158 15.144 1.00 1.22 H new ATOM 0 HB3 GLU A 82 -1.412 -2.184 13.743 1.00 1.22 H new ATOM 0 HG2 GLU A 82 0.116 -3.140 15.157 1.00 1.50 H new ATOM 0 HG3 GLU A 82 1.154 -1.953 14.393 1.00 1.50 H new ATOM 1230 N GLU A 83 -2.420 1.348 14.010 1.00 0.90 N ATOM 1231 CA GLU A 83 -3.681 2.042 13.759 1.00 0.87 C ATOM 1232 C GLU A 83 -3.573 2.930 12.523 1.00 0.74 C ATOM 1233 O GLU A 83 -4.511 3.037 11.734 1.00 0.73 O ATOM 1234 CB GLU A 83 -4.066 2.900 14.963 1.00 1.05 C ATOM 1235 CG GLU A 83 -5.545 3.235 15.022 1.00 1.30 C ATOM 1236 CD GLU A 83 -6.374 2.072 15.518 1.00 1.60 C ATOM 1237 OE1 GLU A 83 -6.430 1.863 16.748 1.00 1.98 O ATOM 1238 OE2 GLU A 83 -6.974 1.358 14.690 1.00 2.06 O ATOM 0 H GLU A 83 -1.978 1.585 14.898 1.00 0.90 H new ATOM 0 HA GLU A 83 -4.450 1.288 13.590 1.00 0.87 H new ATOM 0 HB2 GLU A 83 -3.784 2.377 15.877 1.00 1.05 H new ATOM 0 HB3 GLU A 83 -3.493 3.827 14.936 1.00 1.05 H new ATOM 0 HG2 GLU A 83 -5.696 4.092 15.678 1.00 1.30 H new ATOM 0 HG3 GLU A 83 -5.889 3.528 14.030 1.00 1.30 H new ATOM 1245 N GLN A 84 -2.410 3.542 12.354 1.00 0.73 N ATOM 1246 CA GLN A 84 -2.176 4.471 11.258 1.00 0.68 C ATOM 1247 C GLN A 84 -2.167 3.722 9.930 1.00 0.56 C ATOM 1248 O GLN A 84 -2.428 4.288 8.869 1.00 0.59 O ATOM 1249 CB GLN A 84 -0.838 5.176 11.471 1.00 0.76 C ATOM 1250 CG GLN A 84 -0.726 6.504 10.750 1.00 1.11 C ATOM 1251 CD GLN A 84 -1.741 7.512 11.252 1.00 1.60 C ATOM 1252 OE1 GLN A 84 -2.151 7.479 12.413 1.00 2.31 O ATOM 1253 NE2 GLN A 84 -2.149 8.422 10.386 1.00 2.28 N ATOM 0 H GLN A 84 -1.607 3.410 12.968 1.00 0.73 H new ATOM 0 HA GLN A 84 -2.976 5.211 11.234 1.00 0.68 H new ATOM 0 HB2 GLN A 84 -0.689 5.339 12.538 1.00 0.76 H new ATOM 0 HB3 GLN A 84 -0.035 4.521 11.134 1.00 0.76 H new ATOM 0 HG2 GLN A 84 0.279 6.905 10.883 1.00 1.11 H new ATOM 0 HG3 GLN A 84 -0.868 6.349 9.681 1.00 1.11 H new ATOM 0 HE21 GLN A 84 -1.787 8.417 9.433 1.00 2.28 H new ATOM 0 HE22 GLN A 84 -2.826 9.129 10.671 1.00 2.28 H new ATOM 1262 N ILE A 85 -1.875 2.434 10.020 1.00 0.50 N ATOM 1263 CA ILE A 85 -1.778 1.563 8.863 1.00 0.45 C ATOM 1264 C ILE A 85 -3.153 1.305 8.250 1.00 0.43 C ATOM 1265 O ILE A 85 -3.303 1.246 7.027 1.00 0.43 O ATOM 1266 CB ILE A 85 -1.128 0.226 9.277 1.00 0.46 C ATOM 1267 CG1 ILE A 85 0.291 0.479 9.789 1.00 0.51 C ATOM 1268 CG2 ILE A 85 -1.123 -0.769 8.131 1.00 0.47 C ATOM 1269 CD1 ILE A 85 1.209 1.097 8.753 1.00 1.41 C ATOM 0 H ILE A 85 -1.697 1.961 10.906 1.00 0.50 H new ATOM 0 HA ILE A 85 -1.160 2.055 8.112 1.00 0.45 H new ATOM 0 HB ILE A 85 -1.722 -0.212 10.079 1.00 0.46 H new ATOM 0 HG12 ILE A 85 0.243 1.136 10.658 1.00 0.51 H new ATOM 0 HG13 ILE A 85 0.720 -0.465 10.126 1.00 0.51 H new ATOM 0 HG21 ILE A 85 -0.658 -1.699 8.458 1.00 0.47 H new ATOM 0 HG22 ILE A 85 -2.148 -0.967 7.817 1.00 0.47 H new ATOM 0 HG23 ILE A 85 -0.560 -0.357 7.294 1.00 0.47 H new ATOM 0 HD11 ILE A 85 2.198 1.248 9.187 1.00 1.41 H new ATOM 0 HD12 ILE A 85 1.287 0.432 7.893 1.00 1.41 H new ATOM 0 HD13 ILE A 85 0.803 2.057 8.433 1.00 1.41 H new ATOM 1276 N LYS A 86 -4.151 1.187 9.116 1.00 0.47 N ATOM 1277 CA LYS A 86 -5.519 0.881 8.706 1.00 0.50 C ATOM 1278 C LYS A 86 -6.054 1.900 7.699 1.00 0.41 C ATOM 1279 O LYS A 86 -6.780 1.545 6.771 1.00 0.47 O ATOM 1280 CB LYS A 86 -6.427 0.847 9.940 1.00 0.59 C ATOM 1281 CG LYS A 86 -7.891 0.584 9.631 1.00 0.71 C ATOM 1282 CD LYS A 86 -8.758 0.737 10.869 1.00 0.92 C ATOM 1283 CE LYS A 86 -8.296 -0.168 11.999 1.00 1.90 C ATOM 1284 NZ LYS A 86 -9.075 0.057 13.243 1.00 2.45 N ATOM 0 H LYS A 86 -4.037 1.300 10.123 1.00 0.47 H new ATOM 0 HA LYS A 86 -5.512 -0.094 8.218 1.00 0.50 H new ATOM 0 HB2 LYS A 86 -6.067 0.075 10.621 1.00 0.59 H new ATOM 0 HB3 LYS A 86 -6.344 1.799 10.465 1.00 0.59 H new ATOM 0 HG2 LYS A 86 -8.231 1.275 8.860 1.00 0.71 H new ATOM 0 HG3 LYS A 86 -8.004 -0.423 9.229 1.00 0.71 H new ATOM 0 HD2 LYS A 86 -8.735 1.775 11.202 1.00 0.92 H new ATOM 0 HD3 LYS A 86 -9.793 0.505 10.618 1.00 0.92 H new ATOM 0 HE2 LYS A 86 -8.394 -1.210 11.693 1.00 1.90 H new ATOM 0 HE3 LYS A 86 -7.239 0.008 12.196 1.00 1.90 H new ATOM 0 HZ1 LYS A 86 -8.485 0.560 13.936 1.00 2.45 H new ATOM 0 HZ2 LYS A 86 -9.917 0.628 13.027 1.00 2.45 H new ATOM 0 HZ3 LYS A 86 -9.369 -0.859 13.639 1.00 2.45 H new ATOM 1298 N ASP A 87 -5.673 3.154 7.874 1.00 0.34 N ATOM 1299 CA ASP A 87 -6.229 4.240 7.076 1.00 0.31 C ATOM 1300 C ASP A 87 -5.726 4.195 5.638 1.00 0.29 C ATOM 1301 O ASP A 87 -6.449 4.540 4.705 1.00 0.35 O ATOM 1302 CB ASP A 87 -5.880 5.593 7.705 1.00 0.34 C ATOM 1303 CG ASP A 87 -6.800 6.712 7.250 1.00 1.00 C ATOM 1304 OD1 ASP A 87 -7.660 7.156 8.040 1.00 1.09 O ATOM 1305 OD2 ASP A 87 -6.675 7.142 6.083 1.00 1.70 O ATOM 0 H ASP A 87 -4.980 3.448 8.562 1.00 0.34 H new ATOM 0 HA ASP A 87 -7.312 4.115 7.059 1.00 0.31 H new ATOM 0 HB2 ASP A 87 -5.930 5.507 8.790 1.00 0.34 H new ATOM 0 HB3 ASP A 87 -4.851 5.850 7.453 1.00 0.34 H new ATOM 1310 N ILE A 88 -4.493 3.750 5.464 1.00 0.26 N ATOM 1311 CA ILE A 88 -3.829 3.848 4.173 1.00 0.27 C ATOM 1312 C ILE A 88 -4.407 2.893 3.124 1.00 0.31 C ATOM 1313 O ILE A 88 -5.097 3.315 2.200 1.00 0.36 O ATOM 1314 CB ILE A 88 -2.317 3.579 4.303 1.00 0.28 C ATOM 1315 CG1 ILE A 88 -1.723 4.426 5.425 1.00 0.36 C ATOM 1316 CG2 ILE A 88 -1.616 3.875 2.984 1.00 0.38 C ATOM 1317 CD1 ILE A 88 -0.247 4.180 5.654 1.00 0.42 C ATOM 0 H ILE A 88 -3.932 3.318 6.198 1.00 0.26 H new ATOM 0 HA ILE A 88 -4.003 4.869 3.834 1.00 0.27 H new ATOM 0 HB ILE A 88 -2.167 2.528 4.548 1.00 0.28 H new ATOM 0 HG12 ILE A 88 -1.875 5.480 5.193 1.00 0.36 H new ATOM 0 HG13 ILE A 88 -2.264 4.222 6.349 1.00 0.36 H new ATOM 0 HG21 ILE A 88 -0.548 3.681 3.088 1.00 0.38 H new ATOM 0 HG22 ILE A 88 -2.026 3.236 2.202 1.00 0.38 H new ATOM 0 HG23 ILE A 88 -1.771 4.920 2.716 1.00 0.38 H new ATOM 0 HD11 ILE A 88 0.106 4.816 6.465 1.00 0.42 H new ATOM 0 HD12 ILE A 88 -0.089 3.134 5.918 1.00 0.42 H new ATOM 0 HD13 ILE A 88 0.306 4.412 4.744 1.00 0.42 H new ATOM 1324 N PHE A 89 -4.134 1.604 3.278 1.00 0.33 N ATOM 1325 CA PHE A 89 -4.383 0.641 2.204 1.00 0.41 C ATOM 1326 C PHE A 89 -5.623 -0.212 2.454 1.00 0.44 C ATOM 1327 O PHE A 89 -6.189 -0.785 1.525 1.00 0.52 O ATOM 1328 CB PHE A 89 -3.149 -0.258 2.003 1.00 0.45 C ATOM 1329 CG PHE A 89 -2.835 -1.195 3.147 1.00 0.32 C ATOM 1330 CD1 PHE A 89 -2.202 -2.401 2.901 1.00 0.57 C ATOM 1331 CD2 PHE A 89 -3.168 -0.882 4.457 1.00 0.56 C ATOM 1332 CE1 PHE A 89 -1.908 -3.269 3.930 1.00 0.75 C ATOM 1333 CE2 PHE A 89 -2.879 -1.747 5.489 1.00 0.49 C ATOM 1334 CZ PHE A 89 -2.248 -2.943 5.225 1.00 0.51 C ATOM 0 H PHE A 89 -3.743 1.199 4.129 1.00 0.33 H new ATOM 0 HA PHE A 89 -4.571 1.215 1.297 1.00 0.41 H new ATOM 0 HB2 PHE A 89 -3.296 -0.851 1.100 1.00 0.45 H new ATOM 0 HB3 PHE A 89 -2.282 0.379 1.829 1.00 0.45 H new ATOM 0 HD1 PHE A 89 -1.935 -2.665 1.889 1.00 0.57 H new ATOM 0 HD2 PHE A 89 -3.662 0.055 4.671 1.00 0.56 H new ATOM 0 HE1 PHE A 89 -1.411 -4.205 3.722 1.00 0.75 H new ATOM 0 HE2 PHE A 89 -3.146 -1.488 6.503 1.00 0.49 H new ATOM 0 HZ PHE A 89 -2.020 -3.624 6.032 1.00 0.51 H new ATOM 1344 N TYR A 90 -6.052 -0.265 3.702 1.00 0.44 N ATOM 1345 CA TYR A 90 -7.140 -1.144 4.108 1.00 0.53 C ATOM 1346 C TYR A 90 -8.486 -0.598 3.640 1.00 0.56 C ATOM 1347 O TYR A 90 -9.449 -1.342 3.456 1.00 0.71 O ATOM 1348 CB TYR A 90 -7.107 -1.288 5.631 1.00 0.56 C ATOM 1349 CG TYR A 90 -8.203 -2.145 6.219 1.00 0.70 C ATOM 1350 CD1 TYR A 90 -9.164 -1.612 7.074 1.00 0.78 C ATOM 1351 CD2 TYR A 90 -8.290 -3.492 5.893 1.00 0.77 C ATOM 1352 CE1 TYR A 90 -10.175 -2.403 7.585 1.00 0.93 C ATOM 1353 CE2 TYR A 90 -9.293 -4.286 6.402 1.00 0.91 C ATOM 1354 CZ TYR A 90 -10.207 -3.703 7.351 1.00 0.96 C ATOM 1355 OH TYR A 90 -11.248 -4.528 7.746 1.00 1.13 O ATOM 0 H TYR A 90 -5.661 0.295 4.460 1.00 0.44 H new ATOM 0 HA TYR A 90 -7.012 -2.123 3.645 1.00 0.53 H new ATOM 0 HB2 TYR A 90 -6.144 -1.709 5.919 1.00 0.56 H new ATOM 0 HB3 TYR A 90 -7.166 -0.294 6.075 1.00 0.56 H new ATOM 0 HD1 TYR A 90 -9.119 -0.567 7.341 1.00 0.78 H new ATOM 0 HD2 TYR A 90 -7.557 -3.925 5.228 1.00 0.77 H new ATOM 0 HE1 TYR A 90 -10.951 -1.952 8.185 1.00 0.93 H new ATOM 0 HE2 TYR A 90 -9.392 -5.318 6.098 1.00 0.91 H new ATOM 0 HH TYR A 90 -11.060 -5.448 7.467 1.00 1.13 H new ATOM 1365 N ILE A 91 -8.530 0.707 3.424 1.00 0.48 N ATOM 1366 CA ILE A 91 -9.757 1.390 3.046 1.00 0.53 C ATOM 1367 C ILE A 91 -9.930 1.408 1.519 1.00 0.61 C ATOM 1368 O ILE A 91 -10.991 1.769 1.005 1.00 0.86 O ATOM 1369 CB ILE A 91 -9.753 2.831 3.615 1.00 0.50 C ATOM 1370 CG1 ILE A 91 -9.544 2.792 5.132 1.00 0.47 C ATOM 1371 CG2 ILE A 91 -11.045 3.561 3.287 1.00 0.60 C ATOM 1372 CD1 ILE A 91 -9.560 4.154 5.789 1.00 0.51 C ATOM 0 H ILE A 91 -7.719 1.321 3.505 1.00 0.48 H new ATOM 0 HA ILE A 91 -10.602 0.846 3.468 1.00 0.53 H new ATOM 0 HB ILE A 91 -8.932 3.376 3.148 1.00 0.50 H new ATOM 0 HG12 ILE A 91 -10.322 2.174 5.580 1.00 0.47 H new ATOM 0 HG13 ILE A 91 -8.591 2.308 5.345 1.00 0.47 H new ATOM 0 HG21 ILE A 91 -11.009 4.569 3.701 1.00 0.60 H new ATOM 0 HG22 ILE A 91 -11.167 3.617 2.205 1.00 0.60 H new ATOM 0 HG23 ILE A 91 -11.888 3.021 3.719 1.00 0.60 H new ATOM 0 HD11 ILE A 91 -9.406 4.042 6.862 1.00 0.51 H new ATOM 0 HD12 ILE A 91 -8.764 4.769 5.370 1.00 0.51 H new ATOM 0 HD13 ILE A 91 -10.522 4.634 5.609 1.00 0.51 H new