USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 803 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 66 MET CE :methyl -157:sc= -1.89 (180deg=-2.66!) USER MOD Set 1.2: A 85 MET CE :methyl -143:sc= -4.33! (180deg=-2.03) USER MOD Set 2.1: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 163:sc= 0.043 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0637 X(o=-0.064,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.0158 X(o=-0.016,f=-0.22) USER MOD Single : A 28 HIS : no HD1:sc= -0.0925 X(o=-0.093,f=0) USER MOD Single : A 30 TYR OH : rot -84:sc= 0.00541 USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 0.0457 (180deg=-0.0225) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.4) USER MOD Single : A 46 MET CE :methyl -165:sc= 0 (180deg=-0.173) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 46:sc= 0.498 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 101:sc= 1.22 USER MOD Single : A 71 MET CE :methyl 174:sc= -3.73 (180deg=-4.07!) USER MOD Single : A 76 THR OG1 : rot -85:sc= 1.25 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc=-0.00758 K(o=-0.0076,f=-1.1) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -108:sc= -2.85 (180deg=-6.06!) USER MOD Single : A 95 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.37) USER MOD Single : A 108 SER OG : rot 120:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N LYS A 4 9.883 -3.602 -1.041 1.00 74.23 N ATOM 49 CA LYS A 4 11.009 -4.211 -1.740 1.00 53.11 C ATOM 50 C LYS A 4 10.811 -5.717 -1.882 1.00 23.13 C ATOM 51 O LYS A 4 10.800 -6.248 -2.992 1.00 33.14 O ATOM 52 CB LYS A 4 12.313 -3.925 -0.992 1.00 4.34 C ATOM 53 CG LYS A 4 12.947 -2.596 -1.362 1.00 14.11 C ATOM 54 CD LYS A 4 12.764 -1.565 -0.262 1.00 62.11 C ATOM 55 CE LYS A 4 12.380 -0.206 -0.828 1.00 4.50 C ATOM 56 NZ LYS A 4 13.240 0.882 -0.288 1.00 25.42 N1+ ATOM 0 HA LYS A 4 11.066 -3.775 -2.737 1.00 53.11 H new ATOM 0 HB2 LYS A 4 12.118 -3.939 0.080 1.00 4.34 H new ATOM 0 HB3 LYS A 4 13.023 -4.726 -1.197 1.00 4.34 H new ATOM 0 HG2 LYS A 4 14.010 -2.740 -1.553 1.00 14.11 H new ATOM 0 HG3 LYS A 4 12.504 -2.225 -2.286 1.00 14.11 H new ATOM 0 HD2 LYS A 4 11.993 -1.903 0.430 1.00 62.11 H new ATOM 0 HD3 LYS A 4 13.687 -1.474 0.310 1.00 62.11 H new ATOM 0 HE2 LYS A 4 12.462 -0.229 -1.915 1.00 4.50 H new ATOM 0 HE3 LYS A 4 11.337 0.004 -0.592 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 12.947 1.792 -0.698 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 13.142 0.921 0.747 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 14.233 0.695 -0.535 1.00 25.42 H new ATOM 70 N SER A 5 10.653 -6.398 -0.752 1.00 45.41 N ATOM 71 CA SER A 5 10.458 -7.843 -0.751 1.00 45.22 C ATOM 72 C SER A 5 9.435 -8.254 -1.806 1.00 54.53 C ATOM 73 O SER A 5 9.495 -9.357 -2.348 1.00 44.30 O ATOM 74 CB SER A 5 10.002 -8.317 0.630 1.00 53.55 C ATOM 75 OG SER A 5 8.647 -7.976 0.864 1.00 22.21 O ATOM 0 H SER A 5 10.656 -5.972 0.175 1.00 45.41 H new ATOM 0 HA SER A 5 11.411 -8.313 -0.992 1.00 45.22 H new ATOM 0 HB2 SER A 5 10.127 -9.397 0.707 1.00 53.55 H new ATOM 0 HB3 SER A 5 10.631 -7.868 1.398 1.00 53.55 H new ATOM 0 HG SER A 5 8.299 -8.511 1.608 1.00 22.21 H new ATOM 81 N ASP A 6 8.496 -7.358 -2.089 1.00 52.44 N ATOM 82 CA ASP A 6 7.458 -7.625 -3.079 1.00 71.01 C ATOM 83 C ASP A 6 8.073 -8.036 -4.413 1.00 21.35 C ATOM 84 O ASP A 6 7.692 -9.051 -4.997 1.00 22.51 O ATOM 85 CB ASP A 6 6.574 -6.391 -3.269 1.00 22.02 C ATOM 86 CG ASP A 6 5.227 -6.732 -3.873 1.00 15.21 C ATOM 87 OD1 ASP A 6 5.078 -7.856 -4.398 1.00 43.34 O ATOM 88 OD2 ASP A 6 4.320 -5.875 -3.820 1.00 45.13 O1- ATOM 0 H ASP A 6 8.432 -6.441 -1.647 1.00 52.44 H new ATOM 0 HA ASP A 6 6.844 -8.448 -2.713 1.00 71.01 H new ATOM 0 HB2 ASP A 6 6.424 -5.903 -2.306 1.00 22.02 H new ATOM 0 HB3 ASP A 6 7.087 -5.676 -3.912 1.00 22.02 H new ATOM 93 N GLU A 7 9.025 -7.241 -4.890 1.00 34.23 N ATOM 94 CA GLU A 7 9.691 -7.521 -6.157 1.00 34.02 C ATOM 95 C GLU A 7 10.284 -8.928 -6.160 1.00 65.44 C ATOM 96 O GLU A 7 10.220 -9.639 -7.162 1.00 4.31 O ATOM 97 CB GLU A 7 10.792 -6.492 -6.419 1.00 60.23 C ATOM 98 CG GLU A 7 10.892 -6.066 -7.874 1.00 53.31 C ATOM 99 CD GLU A 7 11.711 -4.803 -8.058 1.00 52.50 C ATOM 100 OE1 GLU A 7 12.436 -4.423 -7.114 1.00 23.23 O1- ATOM 101 OE2 GLU A 7 11.628 -4.195 -9.145 1.00 42.03 O ATOM 0 H GLU A 7 9.353 -6.398 -4.419 1.00 34.23 H new ATOM 0 HA GLU A 7 8.947 -7.456 -6.951 1.00 34.02 H new ATOM 0 HB2 GLU A 7 10.609 -5.612 -5.803 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.749 -6.908 -6.104 1.00 60.23 H new ATOM 0 HG2 GLU A 7 11.340 -6.872 -8.455 1.00 53.31 H new ATOM 0 HG3 GLU A 7 9.890 -5.906 -8.271 1.00 53.31 H new ATOM 108 N VAL A 8 10.863 -9.322 -5.030 1.00 74.30 N ATOM 109 CA VAL A 8 11.467 -10.642 -4.900 1.00 35.34 C ATOM 110 C VAL A 8 10.457 -11.741 -5.208 1.00 41.31 C ATOM 111 O VAL A 8 10.668 -12.560 -6.104 1.00 60.20 O ATOM 112 CB VAL A 8 12.035 -10.864 -3.486 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.397 -12.326 -3.278 1.00 15.23 C ATOM 114 CG2 VAL A 8 13.242 -9.968 -3.250 1.00 74.14 C ATOM 0 H VAL A 8 10.926 -8.745 -4.191 1.00 74.30 H new ATOM 0 HA VAL A 8 12.282 -10.689 -5.622 1.00 35.34 H new ATOM 0 HB VAL A 8 11.267 -10.599 -2.760 1.00 62.21 H new ATOM 0 HG11 VAL A 8 12.797 -12.462 -2.273 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.507 -12.942 -3.401 1.00 15.23 H new ATOM 0 HG13 VAL A 8 13.148 -12.623 -4.010 1.00 15.23 H new ATOM 0 HG21 VAL A 8 13.631 -10.138 -2.246 1.00 74.14 H new ATOM 0 HG22 VAL A 8 14.015 -10.199 -3.982 1.00 74.14 H new ATOM 0 HG23 VAL A 8 12.946 -8.924 -3.352 1.00 74.14 H new ATOM 124 N PHE A 9 9.358 -11.755 -4.461 1.00 5.40 N ATOM 125 CA PHE A 9 8.315 -12.755 -4.654 1.00 4.42 C ATOM 126 C PHE A 9 7.935 -12.867 -6.128 1.00 14.12 C ATOM 127 O PHE A 9 7.752 -13.967 -6.650 1.00 72.03 O ATOM 128 CB PHE A 9 7.079 -12.400 -3.824 1.00 14.30 C ATOM 129 CG PHE A 9 7.330 -12.405 -2.342 1.00 1.13 C ATOM 130 CD1 PHE A 9 7.927 -13.497 -1.732 1.00 64.03 C ATOM 131 CD2 PHE A 9 6.969 -11.320 -1.561 1.00 71.40 C ATOM 132 CE1 PHE A 9 8.160 -13.506 -0.369 1.00 45.45 C ATOM 133 CE2 PHE A 9 7.201 -11.323 -0.198 1.00 70.23 C ATOM 134 CZ PHE A 9 7.795 -12.417 0.398 1.00 3.11 C ATOM 0 H PHE A 9 9.167 -11.085 -3.716 1.00 5.40 H new ATOM 0 HA PHE A 9 8.704 -13.718 -4.322 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.723 -11.413 -4.121 1.00 14.30 H new ATOM 0 HB3 PHE A 9 6.282 -13.108 -4.052 1.00 14.30 H new ATOM 0 HD1 PHE A 9 8.214 -14.351 -2.328 1.00 64.03 H new ATOM 0 HD2 PHE A 9 6.501 -10.462 -2.021 1.00 71.40 H new ATOM 0 HE1 PHE A 9 8.626 -14.363 0.095 1.00 45.45 H new ATOM 0 HE2 PHE A 9 6.918 -10.470 0.400 1.00 70.23 H new ATOM 0 HZ PHE A 9 7.974 -12.421 1.463 1.00 3.11 H new ATOM 144 N ALA A 10 7.818 -11.721 -6.791 1.00 54.15 N ATOM 145 CA ALA A 10 7.463 -11.691 -8.205 1.00 71.40 C ATOM 146 C ALA A 10 8.475 -12.465 -9.043 1.00 23.42 C ATOM 147 O ALA A 10 8.103 -13.282 -9.886 1.00 32.34 O ATOM 148 CB ALA A 10 7.360 -10.253 -8.692 1.00 11.12 C ATOM 0 H ALA A 10 7.964 -10.802 -6.372 1.00 54.15 H new ATOM 0 HA ALA A 10 6.492 -12.173 -8.321 1.00 71.40 H new ATOM 0 HB1 ALA A 10 7.094 -10.245 -9.749 1.00 11.12 H new ATOM 0 HB2 ALA A 10 6.593 -9.730 -8.121 1.00 11.12 H new ATOM 0 HB3 ALA A 10 8.319 -9.753 -8.555 1.00 11.12 H new ATOM 154 N LYS A 11 9.756 -12.201 -8.807 1.00 53.04 N ATOM 155 CA LYS A 11 10.823 -12.873 -9.540 1.00 71.11 C ATOM 156 C LYS A 11 10.704 -14.388 -9.405 1.00 34.23 C ATOM 157 O LYS A 11 10.741 -15.113 -10.400 1.00 35.32 O ATOM 158 CB LYS A 11 12.189 -12.410 -9.029 1.00 75.32 C ATOM 159 CG LYS A 11 12.437 -10.923 -9.218 1.00 51.04 C ATOM 160 CD LYS A 11 12.456 -10.544 -10.690 1.00 31.12 C ATOM 161 CE LYS A 11 11.249 -9.697 -11.063 1.00 2.51 C ATOM 162 NZ LYS A 11 11.589 -8.665 -12.082 1.00 32.05 N1+ ATOM 0 H LYS A 11 10.080 -11.527 -8.114 1.00 53.04 H new ATOM 0 HA LYS A 11 10.728 -12.611 -10.594 1.00 71.11 H new ATOM 0 HB2 LYS A 11 12.272 -12.652 -7.969 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.969 -12.969 -9.546 1.00 75.32 H new ATOM 0 HG2 LYS A 11 11.660 -10.356 -8.705 1.00 51.04 H new ATOM 0 HG3 LYS A 11 13.387 -10.650 -8.759 1.00 51.04 H new ATOM 0 HD2 LYS A 11 13.370 -9.995 -10.914 1.00 31.12 H new ATOM 0 HD3 LYS A 11 12.470 -11.448 -11.299 1.00 31.12 H new ATOM 0 HE2 LYS A 11 10.458 -10.341 -11.448 1.00 2.51 H new ATOM 0 HE3 LYS A 11 10.857 -9.210 -10.170 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 10.740 -8.109 -12.309 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 12.325 -8.035 -11.705 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 11.939 -9.130 -12.944 1.00 32.05 H new ATOM 176 N ILE A 12 10.562 -14.858 -8.171 1.00 21.10 N ATOM 177 CA ILE A 12 10.436 -16.286 -7.908 1.00 64.54 C ATOM 178 C ILE A 12 9.301 -16.897 -8.723 1.00 34.03 C ATOM 179 O ILE A 12 9.468 -17.939 -9.356 1.00 74.53 O ATOM 180 CB ILE A 12 10.188 -16.564 -6.414 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.443 -16.248 -5.599 1.00 64.04 C ATOM 182 CG2 ILE A 12 9.767 -18.012 -6.207 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.271 -16.472 -4.113 1.00 2.33 C ATOM 0 H ILE A 12 10.531 -14.271 -7.337 1.00 21.10 H new ATOM 0 HA ILE A 12 11.380 -16.745 -8.202 1.00 64.54 H new ATOM 0 HB ILE A 12 9.381 -15.918 -6.069 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.265 -16.867 -5.959 1.00 64.04 H new ATOM 0 HG13 ILE A 12 11.726 -15.210 -5.771 1.00 64.04 H new ATOM 0 HG21 ILE A 12 9.595 -18.193 -5.146 1.00 5.33 H new ATOM 0 HG22 ILE A 12 8.849 -18.207 -6.761 1.00 5.33 H new ATOM 0 HG23 ILE A 12 10.555 -18.675 -6.565 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.200 -16.228 -3.598 1.00 2.33 H new ATOM 0 HD12 ILE A 12 10.471 -15.834 -3.739 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.018 -17.516 -3.929 1.00 2.33 H new ATOM 195 N ALA A 13 8.146 -16.240 -8.703 1.00 52.24 N ATOM 196 CA ALA A 13 6.983 -16.716 -9.443 1.00 63.33 C ATOM 197 C ALA A 13 7.225 -16.646 -10.948 1.00 65.53 C ATOM 198 O ALA A 13 7.062 -17.639 -11.659 1.00 52.01 O ATOM 199 CB ALA A 13 5.751 -15.907 -9.067 1.00 65.33 C ATOM 0 H ALA A 13 7.990 -15.377 -8.183 1.00 52.24 H new ATOM 0 HA ALA A 13 6.814 -17.759 -9.176 1.00 63.33 H new ATOM 0 HB1 ALA A 13 4.890 -16.273 -9.627 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.560 -16.011 -7.999 1.00 65.33 H new ATOM 0 HB3 ALA A 13 5.919 -14.857 -9.305 1.00 65.33 H new ATOM 205 N LYS A 14 7.611 -15.470 -11.427 1.00 61.31 N ATOM 206 CA LYS A 14 7.874 -15.270 -12.847 1.00 24.13 C ATOM 207 C LYS A 14 8.888 -16.288 -13.361 1.00 74.23 C ATOM 208 O LYS A 14 8.901 -16.622 -14.545 1.00 64.00 O ATOM 209 CB LYS A 14 8.391 -13.851 -13.097 1.00 55.21 C ATOM 210 CG LYS A 14 9.905 -13.757 -13.165 1.00 43.13 C ATOM 211 CD LYS A 14 10.367 -12.321 -13.346 1.00 15.10 C ATOM 212 CE LYS A 14 11.065 -12.124 -14.683 1.00 0.23 C ATOM 213 NZ LYS A 14 10.735 -10.807 -15.293 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.749 -14.639 -10.852 1.00 61.31 H new ATOM 0 HA LYS A 14 6.938 -15.410 -13.387 1.00 24.13 H new ATOM 0 HB2 LYS A 14 7.970 -13.480 -14.031 1.00 55.21 H new ATOM 0 HB3 LYS A 14 8.030 -13.197 -12.303 1.00 55.21 H new ATOM 0 HG2 LYS A 14 10.337 -14.167 -12.252 1.00 43.13 H new ATOM 0 HG3 LYS A 14 10.271 -14.365 -13.992 1.00 43.13 H new ATOM 0 HD2 LYS A 14 9.510 -11.651 -13.280 1.00 15.10 H new ATOM 0 HD3 LYS A 14 11.046 -12.051 -12.537 1.00 15.10 H new ATOM 0 HE2 LYS A 14 12.143 -12.200 -14.544 1.00 0.23 H new ATOM 0 HE3 LYS A 14 10.775 -12.923 -15.365 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 11.230 -10.712 -16.202 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 9.709 -10.744 -15.449 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 11.035 -10.043 -14.654 1.00 52.31 H new ATOM 227 N ARG A 15 9.735 -16.779 -12.461 1.00 24.20 N ATOM 228 CA ARG A 15 10.751 -17.760 -12.824 1.00 2.23 C ATOM 229 C ARG A 15 10.133 -19.142 -13.006 1.00 74.55 C ATOM 230 O ARG A 15 10.587 -19.933 -13.833 1.00 13.42 O ATOM 231 CB ARG A 15 11.842 -17.814 -11.752 1.00 52.33 C ATOM 232 CG ARG A 15 13.171 -18.348 -12.263 1.00 60.13 C ATOM 233 CD ARG A 15 13.483 -19.716 -11.678 1.00 64.22 C ATOM 234 NE ARG A 15 14.596 -20.364 -12.368 1.00 31.41 N ATOM 235 CZ ARG A 15 14.497 -20.903 -13.578 1.00 3.45 C ATOM 236 NH1 ARG A 15 13.342 -20.871 -14.229 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 15.554 -21.475 -14.139 1.00 54.20 N ATOM 0 H ARG A 15 9.737 -16.514 -11.476 1.00 24.20 H new ATOM 0 HA ARG A 15 11.195 -17.453 -13.771 1.00 2.23 H new ATOM 0 HB2 ARG A 15 11.993 -16.813 -11.348 1.00 52.33 H new ATOM 0 HB3 ARG A 15 11.500 -18.441 -10.929 1.00 52.33 H new ATOM 0 HG2 ARG A 15 13.144 -18.414 -13.351 1.00 60.13 H new ATOM 0 HG3 ARG A 15 13.968 -17.650 -12.005 1.00 60.13 H new ATOM 0 HD2 ARG A 15 13.723 -19.612 -10.620 1.00 64.22 H new ATOM 0 HD3 ARG A 15 12.598 -20.349 -11.743 1.00 64.22 H new ATOM 0 HE ARG A 15 15.499 -20.405 -11.895 1.00 31.41 H new ATOM 0 HH11 ARG A 15 12.527 -20.432 -13.801 1.00 71.10 H new ATOM 0 HH12 ARG A 15 13.269 -21.286 -15.158 1.00 71.10 H new ATOM 0 HH21 ARG A 15 16.444 -21.501 -13.641 1.00 54.20 H new ATOM 0 HH22 ARG A 15 15.477 -21.889 -15.068 1.00 54.20 H new ATOM 251 N LEU A 16 9.094 -19.426 -12.228 1.00 62.42 N ATOM 252 CA LEU A 16 8.412 -20.714 -12.303 1.00 42.54 C ATOM 253 C LEU A 16 7.744 -20.898 -13.662 1.00 3.14 C ATOM 254 O LEU A 16 7.583 -22.021 -14.138 1.00 45.05 O ATOM 255 CB LEU A 16 7.370 -20.828 -11.189 1.00 71.15 C ATOM 256 CG LEU A 16 7.786 -20.283 -9.823 1.00 53.24 C ATOM 257 CD1 LEU A 16 6.764 -20.662 -8.763 1.00 44.00 C ATOM 258 CD2 LEU A 16 9.167 -20.796 -9.442 1.00 22.33 C ATOM 0 H LEU A 16 8.706 -18.782 -11.539 1.00 62.42 H new ATOM 0 HA LEU A 16 9.157 -21.500 -12.176 1.00 42.54 H new ATOM 0 HB2 LEU A 16 6.468 -20.305 -11.507 1.00 71.15 H new ATOM 0 HB3 LEU A 16 7.105 -21.879 -11.073 1.00 71.15 H new ATOM 0 HG LEU A 16 7.828 -19.196 -9.885 1.00 53.24 H new ATOM 0 HD11 LEU A 16 7.077 -20.265 -7.797 1.00 44.00 H new ATOM 0 HD12 LEU A 16 5.793 -20.245 -9.029 1.00 44.00 H new ATOM 0 HD13 LEU A 16 6.689 -21.748 -8.702 1.00 44.00 H new ATOM 0 HD21 LEU A 16 9.447 -20.398 -8.467 1.00 22.33 H new ATOM 0 HD22 LEU A 16 9.151 -21.885 -9.398 1.00 22.33 H new ATOM 0 HD23 LEU A 16 9.894 -20.473 -10.188 1.00 22.33 H new ATOM 270 N GLU A 17 7.357 -19.787 -14.280 1.00 24.21 N ATOM 271 CA GLU A 17 6.707 -19.826 -15.585 1.00 73.03 C ATOM 272 C GLU A 17 7.568 -20.574 -16.600 1.00 53.54 C ATOM 273 O GLU A 17 7.064 -21.083 -17.601 1.00 53.11 O ATOM 274 CB GLU A 17 6.429 -18.407 -16.084 1.00 62.44 C ATOM 275 CG GLU A 17 5.655 -17.553 -15.093 1.00 32.22 C ATOM 276 CD GLU A 17 5.484 -16.122 -15.565 1.00 55.30 C ATOM 277 OE1 GLU A 17 5.784 -15.848 -16.745 1.00 64.43 O ATOM 278 OE2 GLU A 17 5.050 -15.278 -14.753 1.00 71.21 O1- ATOM 0 H GLU A 17 7.482 -18.849 -13.899 1.00 24.21 H new ATOM 0 HA GLU A 17 5.761 -20.357 -15.475 1.00 73.03 H new ATOM 0 HB2 GLU A 17 7.377 -17.918 -16.309 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.869 -18.463 -17.018 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.673 -17.996 -14.926 1.00 32.22 H new ATOM 0 HG3 GLU A 17 6.173 -17.556 -14.134 1.00 32.22 H new ATOM 285 N SER A 18 8.868 -20.635 -16.333 1.00 60.23 N ATOM 286 CA SER A 18 9.800 -21.317 -17.223 1.00 50.12 C ATOM 287 C SER A 18 9.714 -22.829 -17.046 1.00 44.52 C ATOM 288 O SER A 18 9.977 -23.591 -17.976 1.00 12.43 O ATOM 289 CB SER A 18 11.230 -20.841 -16.960 1.00 53.43 C ATOM 290 OG SER A 18 11.969 -20.755 -18.166 1.00 62.03 O ATOM 0 H SER A 18 9.300 -20.220 -15.507 1.00 60.23 H new ATOM 0 HA SER A 18 9.527 -21.074 -18.250 1.00 50.12 H new ATOM 0 HB2 SER A 18 11.208 -19.866 -16.473 1.00 53.43 H new ATOM 0 HB3 SER A 18 11.725 -21.529 -16.275 1.00 53.43 H new ATOM 0 HG SER A 18 12.879 -20.447 -17.971 1.00 62.03 H new ATOM 296 N ILE A 19 9.344 -23.257 -15.843 1.00 61.30 N ATOM 297 CA ILE A 19 9.222 -24.678 -15.542 1.00 41.24 C ATOM 298 C ILE A 19 8.371 -25.390 -16.588 1.00 31.14 C ATOM 299 O ILE A 19 7.147 -25.264 -16.599 1.00 72.51 O ATOM 300 CB ILE A 19 8.603 -24.908 -14.151 1.00 11.12 C ATOM 301 CG1 ILE A 19 9.436 -24.205 -13.076 1.00 33.03 C ATOM 302 CG2 ILE A 19 8.499 -26.397 -13.857 1.00 52.32 C ATOM 303 CD1 ILE A 19 8.676 -23.951 -11.793 1.00 70.51 C ATOM 0 H ILE A 19 9.124 -22.640 -15.061 1.00 61.30 H new ATOM 0 HA ILE A 19 10.231 -25.091 -15.555 1.00 41.24 H new ATOM 0 HB ILE A 19 7.599 -24.484 -14.142 1.00 11.12 H new ATOM 0 HG12 ILE A 19 10.315 -24.811 -12.855 1.00 33.03 H new ATOM 0 HG13 ILE A 19 9.796 -23.254 -13.470 1.00 33.03 H new ATOM 0 HG21 ILE A 19 8.060 -26.543 -12.870 1.00 52.32 H new ATOM 0 HG22 ILE A 19 7.870 -26.873 -14.609 1.00 52.32 H new ATOM 0 HG23 ILE A 19 9.493 -26.843 -13.881 1.00 52.32 H new ATOM 0 HD11 ILE A 19 9.328 -23.450 -11.077 1.00 70.51 H new ATOM 0 HD12 ILE A 19 7.812 -23.319 -12.001 1.00 70.51 H new ATOM 0 HD13 ILE A 19 8.339 -24.900 -11.376 1.00 70.51 H new ATOM 315 N ASP A 20 9.028 -26.141 -17.466 1.00 31.11 N ATOM 316 CA ASP A 20 8.332 -26.877 -18.514 1.00 60.31 C ATOM 317 C ASP A 20 8.029 -28.304 -18.069 1.00 52.22 C ATOM 318 O ASP A 20 8.743 -28.890 -17.253 1.00 2.52 O ATOM 319 CB ASP A 20 9.168 -26.896 -19.795 1.00 72.22 C ATOM 320 CG ASP A 20 8.487 -26.177 -20.943 1.00 72.21 C ATOM 321 OD1 ASP A 20 7.880 -25.113 -20.700 1.00 1.44 O ATOM 322 OD2 ASP A 20 8.562 -26.678 -22.083 1.00 54.13 O1- ATOM 0 H ASP A 20 10.042 -26.256 -17.472 1.00 31.11 H new ATOM 0 HA ASP A 20 7.388 -26.370 -18.712 1.00 60.31 H new ATOM 0 HB2 ASP A 20 10.134 -26.431 -19.601 1.00 72.22 H new ATOM 0 HB3 ASP A 20 9.363 -27.929 -20.082 1.00 72.22 H new ATOM 327 N PRO A 21 6.948 -28.879 -18.615 1.00 3.01 N ATOM 328 CA PRO A 21 6.526 -30.244 -18.287 1.00 51.32 C ATOM 329 C PRO A 21 7.484 -31.294 -18.840 1.00 31.01 C ATOM 330 O PRO A 21 7.628 -32.376 -18.272 1.00 73.52 O ATOM 331 CB PRO A 21 5.156 -30.363 -18.959 1.00 40.32 C ATOM 332 CG PRO A 21 5.195 -29.376 -20.075 1.00 41.15 C ATOM 333 CD PRO A 21 6.053 -28.240 -19.594 1.00 41.12 C ATOM 0 HA PRO A 21 6.504 -30.417 -17.211 1.00 51.32 H new ATOM 0 HB2 PRO A 21 4.983 -31.373 -19.330 1.00 40.32 H new ATOM 0 HB3 PRO A 21 4.351 -30.138 -18.259 1.00 40.32 H new ATOM 0 HG2 PRO A 21 5.611 -29.824 -20.978 1.00 41.15 H new ATOM 0 HG3 PRO A 21 4.192 -29.029 -20.324 1.00 41.15 H new ATOM 0 HD2 PRO A 21 6.612 -27.784 -20.412 1.00 41.12 H new ATOM 0 HD3 PRO A 21 5.456 -27.451 -19.137 1.00 41.12 H new ATOM 341 N ALA A 22 8.136 -30.968 -19.950 1.00 74.25 N ATOM 342 CA ALA A 22 9.082 -31.883 -20.578 1.00 71.25 C ATOM 343 C ALA A 22 10.387 -31.944 -19.794 1.00 24.44 C ATOM 344 O ALA A 22 11.284 -32.718 -20.125 1.00 64.13 O ATOM 345 CB ALA A 22 9.346 -31.463 -22.016 1.00 74.40 C ATOM 0 H ALA A 22 8.027 -30.077 -20.434 1.00 74.25 H new ATOM 0 HA ALA A 22 8.642 -32.880 -20.578 1.00 71.25 H new ATOM 0 HB1 ALA A 22 10.054 -32.155 -22.473 1.00 74.40 H new ATOM 0 HB2 ALA A 22 8.411 -31.477 -22.577 1.00 74.40 H new ATOM 0 HB3 ALA A 22 9.762 -30.456 -22.030 1.00 74.40 H new ATOM 351 N ASN A 23 10.488 -31.124 -18.753 1.00 31.42 N ATOM 352 CA ASN A 23 11.686 -31.085 -17.922 1.00 33.21 C ATOM 353 C ASN A 23 11.410 -30.373 -16.602 1.00 71.22 C ATOM 354 O ASN A 23 11.311 -29.147 -16.556 1.00 21.44 O ATOM 355 CB ASN A 23 12.824 -30.384 -18.665 1.00 24.34 C ATOM 356 CG ASN A 23 14.022 -30.122 -17.773 1.00 24.24 C ATOM 357 OD1 ASN A 23 14.546 -29.009 -17.729 1.00 64.52 O ATOM 358 ND2 ASN A 23 14.461 -31.150 -17.056 1.00 44.13 N ATOM 0 H ASN A 23 9.754 -30.477 -18.465 1.00 31.42 H new ATOM 0 HA ASN A 23 11.981 -32.112 -17.705 1.00 33.21 H new ATOM 0 HB2 ASN A 23 13.132 -30.996 -19.512 1.00 24.34 H new ATOM 0 HB3 ASN A 23 12.462 -29.439 -19.070 1.00 24.34 H new ATOM 0 HD21 ASN A 23 15.264 -31.034 -16.437 1.00 44.13 H new ATOM 0 HD22 ASN A 23 13.996 -32.055 -17.124 1.00 44.13 H new ATOM 365 N ARG A 24 11.285 -31.150 -15.531 1.00 31.34 N ATOM 366 CA ARG A 24 11.021 -30.594 -14.209 1.00 3.31 C ATOM 367 C ARG A 24 12.231 -30.763 -13.296 1.00 41.40 C ATOM 368 O ARG A 24 13.314 -31.131 -13.748 1.00 60.52 O ATOM 369 CB ARG A 24 9.797 -31.268 -13.585 1.00 43.24 C ATOM 370 CG ARG A 24 8.559 -31.218 -14.464 1.00 73.04 C ATOM 371 CD ARG A 24 7.763 -29.944 -14.233 1.00 15.52 C ATOM 372 NE ARG A 24 7.479 -29.725 -12.816 1.00 53.32 N ATOM 373 CZ ARG A 24 6.401 -30.197 -12.202 1.00 20.53 C ATOM 374 NH1 ARG A 24 5.509 -30.910 -12.874 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 6.214 -29.955 -10.909 1.00 32.13 N ATOM 0 H ARG A 24 11.362 -32.167 -15.553 1.00 31.34 H new ATOM 0 HA ARG A 24 10.822 -29.528 -14.323 1.00 3.31 H new ATOM 0 HB2 ARG A 24 10.037 -32.309 -13.369 1.00 43.24 H new ATOM 0 HB3 ARG A 24 9.575 -30.788 -12.632 1.00 43.24 H new ATOM 0 HG2 ARG A 24 8.853 -31.280 -15.512 1.00 73.04 H new ATOM 0 HG3 ARG A 24 7.930 -32.084 -14.258 1.00 73.04 H new ATOM 0 HD2 ARG A 24 8.318 -29.093 -14.627 1.00 15.52 H new ATOM 0 HD3 ARG A 24 6.826 -29.997 -14.787 1.00 15.52 H new ATOM 0 HE ARG A 24 8.145 -29.180 -12.269 1.00 53.32 H new ATOM 0 HH11 ARG A 24 5.649 -31.098 -13.867 1.00 42.41 H new ATOM 0 HH12 ARG A 24 4.682 -31.271 -12.399 1.00 42.41 H new ATOM 0 HH21 ARG A 24 6.899 -29.407 -10.389 1.00 32.13 H new ATOM 0 HH22 ARG A 24 5.386 -30.318 -10.437 1.00 32.13 H new ATOM 389 N GLN A 25 12.036 -30.491 -12.009 1.00 23.44 N ATOM 390 CA GLN A 25 13.112 -30.611 -11.032 1.00 3.41 C ATOM 391 C GLN A 25 12.557 -30.634 -9.612 1.00 43.32 C ATOM 392 O GLN A 25 12.515 -29.606 -8.935 1.00 3.03 O ATOM 393 CB GLN A 25 14.103 -29.457 -11.187 1.00 73.40 C ATOM 394 CG GLN A 25 15.268 -29.520 -10.214 1.00 65.05 C ATOM 395 CD GLN A 25 16.607 -29.643 -10.914 1.00 54.13 C ATOM 396 OE1 GLN A 25 16.754 -30.405 -11.870 1.00 72.12 O ATOM 397 NE2 GLN A 25 17.595 -28.893 -10.439 1.00 12.31 N ATOM 0 H GLN A 25 11.144 -30.186 -11.619 1.00 23.44 H new ATOM 0 HA GLN A 25 13.631 -31.552 -11.215 1.00 3.41 H new ATOM 0 HB2 GLN A 25 14.491 -29.457 -12.206 1.00 73.40 H new ATOM 0 HB3 GLN A 25 13.574 -28.514 -11.047 1.00 73.40 H new ATOM 0 HG2 GLN A 25 15.267 -28.624 -9.594 1.00 65.05 H new ATOM 0 HG3 GLN A 25 15.132 -30.370 -9.545 1.00 65.05 H new ATOM 0 HE21 GLN A 25 17.430 -28.275 -9.645 1.00 12.31 H new ATOM 0 HE22 GLN A 25 18.519 -28.935 -10.869 1.00 12.31 H new ATOM 406 N VAL A 26 12.133 -31.812 -9.166 1.00 53.35 N ATOM 407 CA VAL A 26 11.581 -31.968 -7.825 1.00 53.24 C ATOM 408 C VAL A 26 10.468 -30.959 -7.567 1.00 23.30 C ATOM 409 O VAL A 26 10.587 -29.786 -7.920 1.00 23.40 O ATOM 410 CB VAL A 26 12.670 -31.802 -6.747 1.00 62.44 C ATOM 411 CG1 VAL A 26 12.833 -30.336 -6.375 1.00 24.22 C ATOM 412 CG2 VAL A 26 12.337 -32.637 -5.521 1.00 61.33 C ATOM 0 H VAL A 26 12.161 -32.672 -9.713 1.00 53.35 H new ATOM 0 HA VAL A 26 11.173 -32.977 -7.767 1.00 53.24 H new ATOM 0 HB VAL A 26 13.617 -32.157 -7.154 1.00 62.44 H new ATOM 0 HG11 VAL A 26 13.606 -30.238 -5.613 1.00 24.22 H new ATOM 0 HG12 VAL A 26 13.120 -29.766 -7.259 1.00 24.22 H new ATOM 0 HG13 VAL A 26 11.890 -29.952 -5.987 1.00 24.22 H new ATOM 0 HG21 VAL A 26 13.116 -32.508 -4.770 1.00 61.33 H new ATOM 0 HG22 VAL A 26 11.380 -32.315 -5.110 1.00 61.33 H new ATOM 0 HG23 VAL A 26 12.275 -33.688 -5.803 1.00 61.33 H new ATOM 422 N GLU A 27 9.386 -31.424 -6.951 1.00 51.22 N ATOM 423 CA GLU A 27 8.251 -30.561 -6.646 1.00 53.14 C ATOM 424 C GLU A 27 7.593 -30.970 -5.332 1.00 20.43 C ATOM 425 O GLU A 27 7.236 -32.132 -5.139 1.00 21.25 O ATOM 426 CB GLU A 27 7.224 -30.613 -7.780 1.00 64.43 C ATOM 427 CG GLU A 27 7.282 -31.894 -8.595 1.00 1.54 C ATOM 428 CD GLU A 27 7.066 -33.133 -7.750 1.00 23.31 C ATOM 429 OE1 GLU A 27 5.913 -33.377 -7.336 1.00 0.53 O1- ATOM 430 OE2 GLU A 27 8.050 -33.861 -7.503 1.00 13.03 O ATOM 0 H GLU A 27 9.271 -32.393 -6.653 1.00 51.22 H new ATOM 0 HA GLU A 27 8.621 -29.541 -6.545 1.00 53.14 H new ATOM 0 HB2 GLU A 27 6.224 -30.505 -7.359 1.00 64.43 H new ATOM 0 HB3 GLU A 27 7.384 -29.763 -8.443 1.00 64.43 H new ATOM 0 HG2 GLU A 27 6.525 -31.856 -9.378 1.00 1.54 H new ATOM 0 HG3 GLU A 27 8.250 -31.961 -9.091 1.00 1.54 H new ATOM 437 N HIS A 28 7.437 -30.006 -4.430 1.00 1.34 N ATOM 438 CA HIS A 28 6.824 -30.265 -3.132 1.00 23.23 C ATOM 439 C HIS A 28 6.346 -28.967 -2.488 1.00 12.45 C ATOM 440 O HIS A 28 6.549 -27.881 -3.032 1.00 2.54 O ATOM 441 CB HIS A 28 7.815 -30.972 -2.207 1.00 64.15 C ATOM 442 CG HIS A 28 7.495 -32.418 -1.981 1.00 70.02 C ATOM 443 ND1 HIS A 28 8.427 -33.425 -2.118 1.00 64.13 N ATOM 444 CD2 HIS A 28 6.339 -33.024 -1.623 1.00 51.55 C ATOM 445 CE1 HIS A 28 7.858 -34.588 -1.856 1.00 15.35 C ATOM 446 NE2 HIS A 28 6.590 -34.372 -1.552 1.00 63.45 N ATOM 0 H HIS A 28 7.727 -29.039 -4.574 1.00 1.34 H new ATOM 0 HA HIS A 28 5.961 -30.912 -3.289 1.00 23.23 H new ATOM 0 HB2 HIS A 28 8.816 -30.892 -2.631 1.00 64.15 H new ATOM 0 HB3 HIS A 28 7.833 -30.458 -1.246 1.00 64.15 H new ATOM 0 HD2 HIS A 28 5.394 -32.538 -1.429 1.00 51.55 H new ATOM 0 HE1 HIS A 28 8.346 -35.551 -1.885 1.00 15.35 H new ATOM 0 HE2 HIS A 28 5.909 -35.090 -1.305 1.00 63.45 H new ATOM 454 N VAL A 29 5.710 -29.087 -1.328 1.00 54.23 N ATOM 455 CA VAL A 29 5.204 -27.923 -0.610 1.00 31.14 C ATOM 456 C VAL A 29 6.276 -27.325 0.294 1.00 41.44 C ATOM 457 O VAL A 29 6.839 -28.014 1.145 1.00 25.11 O ATOM 458 CB VAL A 29 3.971 -28.281 0.242 1.00 21.50 C ATOM 459 CG1 VAL A 29 3.507 -27.076 1.045 1.00 32.45 C ATOM 460 CG2 VAL A 29 2.849 -28.808 -0.640 1.00 5.11 C ATOM 0 H VAL A 29 5.533 -29.978 -0.865 1.00 54.23 H new ATOM 0 HA VAL A 29 4.916 -27.188 -1.362 1.00 31.14 H new ATOM 0 HB VAL A 29 4.252 -29.067 0.943 1.00 21.50 H new ATOM 0 HG11 VAL A 29 2.635 -27.349 1.640 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.309 -26.748 1.706 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.243 -26.266 0.365 1.00 32.45 H new ATOM 0 HG21 VAL A 29 1.986 -29.056 -0.022 1.00 5.11 H new ATOM 0 HG22 VAL A 29 2.568 -28.045 -1.366 1.00 5.11 H new ATOM 0 HG23 VAL A 29 3.188 -29.701 -1.165 1.00 5.11 H new ATOM 470 N TYR A 30 6.553 -26.040 0.103 1.00 54.15 N ATOM 471 CA TYR A 30 7.561 -25.350 0.900 1.00 42.42 C ATOM 472 C TYR A 30 6.911 -24.349 1.851 1.00 53.31 C ATOM 473 O TYR A 30 5.711 -24.083 1.768 1.00 71.04 O ATOM 474 CB TYR A 30 8.557 -24.631 -0.011 1.00 40.44 C ATOM 475 CG TYR A 30 9.542 -25.561 -0.684 1.00 1.42 C ATOM 476 CD1 TYR A 30 10.147 -26.593 0.024 1.00 23.33 C ATOM 477 CD2 TYR A 30 9.867 -25.409 -2.026 1.00 63.54 C ATOM 478 CE1 TYR A 30 11.047 -27.446 -0.586 1.00 42.43 C ATOM 479 CE2 TYR A 30 10.765 -26.257 -2.643 1.00 50.54 C ATOM 480 CZ TYR A 30 11.353 -27.273 -1.920 1.00 32.12 C ATOM 481 OH TYR A 30 12.249 -28.120 -2.532 1.00 33.15 O ATOM 0 H TYR A 30 6.094 -25.455 -0.596 1.00 54.15 H new ATOM 0 HA TYR A 30 8.092 -26.095 1.492 1.00 42.42 H new ATOM 0 HB2 TYR A 30 8.007 -24.083 -0.776 1.00 40.44 H new ATOM 0 HB3 TYR A 30 9.107 -23.895 0.575 1.00 40.44 H new ATOM 0 HD1 TYR A 30 9.910 -26.731 1.069 1.00 23.33 H new ATOM 0 HD2 TYR A 30 9.410 -24.614 -2.596 1.00 63.54 H new ATOM 0 HE1 TYR A 30 11.508 -28.243 -0.022 1.00 42.43 H new ATOM 0 HE2 TYR A 30 11.006 -26.125 -3.688 1.00 50.54 H new ATOM 0 HH TYR A 30 13.163 -27.811 -2.358 1.00 33.15 H new ATOM 491 N LYS A 31 7.712 -23.795 2.753 1.00 21.53 N ATOM 492 CA LYS A 31 7.218 -22.820 3.721 1.00 33.30 C ATOM 493 C LYS A 31 8.122 -21.592 3.766 1.00 72.40 C ATOM 494 O LYS A 31 9.346 -21.713 3.828 1.00 42.23 O ATOM 495 CB LYS A 31 7.128 -23.452 5.111 1.00 30.01 C ATOM 496 CG LYS A 31 5.873 -23.066 5.874 1.00 12.24 C ATOM 497 CD LYS A 31 5.882 -23.633 7.284 1.00 72.33 C ATOM 498 CE LYS A 31 6.535 -22.673 8.267 1.00 1.42 C ATOM 499 NZ LYS A 31 5.737 -22.528 9.515 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.707 -24.004 2.835 1.00 21.53 H new ATOM 0 HA LYS A 31 6.223 -22.505 3.407 1.00 33.30 H new ATOM 0 HB2 LYS A 31 7.163 -24.537 5.011 1.00 30.01 H new ATOM 0 HB3 LYS A 31 8.002 -23.157 5.692 1.00 30.01 H new ATOM 0 HG2 LYS A 31 5.792 -21.980 5.918 1.00 12.24 H new ATOM 0 HG3 LYS A 31 4.995 -23.430 5.340 1.00 12.24 H new ATOM 0 HD2 LYS A 31 4.860 -23.840 7.601 1.00 72.33 H new ATOM 0 HD3 LYS A 31 6.417 -24.583 7.292 1.00 72.33 H new ATOM 0 HE2 LYS A 31 7.534 -23.031 8.515 1.00 1.42 H new ATOM 0 HE3 LYS A 31 6.654 -21.697 7.797 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 6.285 -21.990 10.217 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 4.853 -22.023 9.305 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 5.515 -23.470 9.897 1.00 74.42 H new ATOM 513 N PHE A 32 7.512 -20.412 3.734 1.00 21.34 N ATOM 514 CA PHE A 32 8.262 -19.163 3.772 1.00 31.43 C ATOM 515 C PHE A 32 7.695 -18.220 4.830 1.00 73.13 C ATOM 516 O PHE A 32 6.551 -17.775 4.732 1.00 30.25 O ATOM 517 CB PHE A 32 8.233 -18.484 2.401 1.00 2.44 C ATOM 518 CG PHE A 32 9.592 -18.336 1.777 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.466 -19.411 1.724 1.00 34.32 C ATOM 520 CD2 PHE A 32 9.995 -17.123 1.244 1.00 25.20 C ATOM 521 CE1 PHE A 32 11.716 -19.276 1.152 1.00 31.04 C ATOM 522 CE2 PHE A 32 11.245 -16.983 0.669 1.00 15.23 C ATOM 523 CZ PHE A 32 12.106 -18.061 0.623 1.00 34.24 C ATOM 0 H PHE A 32 6.500 -20.295 3.682 1.00 21.34 H new ATOM 0 HA PHE A 32 9.294 -19.396 4.033 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.595 -19.062 1.732 1.00 2.44 H new ATOM 0 HB3 PHE A 32 7.779 -17.498 2.502 1.00 2.44 H new ATOM 0 HD1 PHE A 32 10.166 -20.364 2.134 1.00 34.32 H new ATOM 0 HD2 PHE A 32 9.325 -16.276 1.278 1.00 25.20 H new ATOM 0 HE1 PHE A 32 12.388 -20.120 1.118 1.00 31.04 H new ATOM 0 HE2 PHE A 32 11.547 -16.032 0.257 1.00 15.23 H new ATOM 0 HZ PHE A 32 13.083 -17.955 0.174 1.00 34.24 H new ATOM 533 N ARG A 33 8.504 -17.921 5.842 1.00 2.52 N ATOM 534 CA ARG A 33 8.084 -17.034 6.919 1.00 14.43 C ATOM 535 C ARG A 33 8.731 -15.660 6.776 1.00 75.14 C ATOM 536 O ARG A 33 9.924 -15.552 6.492 1.00 61.42 O ATOM 537 CB ARG A 33 8.444 -17.640 8.277 1.00 2.14 C ATOM 538 CG ARG A 33 7.244 -18.171 9.044 1.00 20.25 C ATOM 539 CD ARG A 33 7.646 -19.271 10.015 1.00 10.22 C ATOM 540 NE ARG A 33 7.062 -19.073 11.339 1.00 11.44 N ATOM 541 CZ ARG A 33 7.190 -19.943 12.334 1.00 10.32 C ATOM 542 NH1 ARG A 33 7.877 -21.063 12.158 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 6.629 -19.692 13.511 1.00 25.32 N ATOM 0 H ARG A 33 9.454 -18.280 5.938 1.00 2.52 H new ATOM 0 HA ARG A 33 7.002 -16.915 6.857 1.00 14.43 H new ATOM 0 HB2 ARG A 33 9.156 -18.451 8.126 1.00 2.14 H new ATOM 0 HB3 ARG A 33 8.945 -16.884 8.881 1.00 2.14 H new ATOM 0 HG2 ARG A 33 6.771 -17.356 9.591 1.00 20.25 H new ATOM 0 HG3 ARG A 33 6.504 -18.556 8.343 1.00 20.25 H new ATOM 0 HD2 ARG A 33 7.330 -20.236 9.620 1.00 10.22 H new ATOM 0 HD3 ARG A 33 8.732 -19.301 10.099 1.00 10.22 H new ATOM 0 HE ARG A 33 6.527 -18.221 11.508 1.00 11.44 H new ATOM 0 HH11 ARG A 33 8.310 -21.259 11.256 1.00 23.32 H new ATOM 0 HH12 ARG A 33 7.973 -21.728 12.925 1.00 23.32 H new ATOM 0 HH21 ARG A 33 6.100 -18.831 13.651 1.00 25.32 H new ATOM 0 HH22 ARG A 33 6.727 -20.360 14.276 1.00 25.32 H new ATOM 557 N ILE A 34 7.936 -14.613 6.973 1.00 62.22 N ATOM 558 CA ILE A 34 8.431 -13.247 6.866 1.00 24.14 C ATOM 559 C ILE A 34 8.450 -12.561 8.228 1.00 22.22 C ATOM 560 O ILE A 34 7.471 -11.935 8.634 1.00 15.22 O ATOM 561 CB ILE A 34 7.577 -12.412 5.895 1.00 45.40 C ATOM 562 CG1 ILE A 34 7.501 -13.098 4.529 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.148 -11.009 5.758 1.00 73.20 C ATOM 564 CD1 ILE A 34 8.842 -13.575 4.017 1.00 0.34 C ATOM 0 H ILE A 34 6.946 -14.686 7.208 1.00 62.22 H new ATOM 0 HA ILE A 34 9.448 -13.310 6.479 1.00 24.14 H new ATOM 0 HB ILE A 34 6.567 -12.334 6.298 1.00 45.40 H new ATOM 0 HG12 ILE A 34 6.823 -13.949 4.596 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.071 -12.404 3.806 1.00 40.21 H new ATOM 0 HG21 ILE A 34 7.533 -10.432 5.068 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.154 -10.522 6.733 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.167 -11.067 5.374 1.00 73.20 H new ATOM 0 HD11 ILE A 34 8.712 -14.051 3.045 1.00 0.34 H new ATOM 0 HD12 ILE A 34 9.517 -12.725 3.917 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.265 -14.294 4.719 1.00 0.34 H new ATOM 576 N THR A 35 9.574 -12.680 8.929 1.00 73.35 N ATOM 577 CA THR A 35 9.721 -12.072 10.245 1.00 10.14 C ATOM 578 C THR A 35 10.549 -10.794 10.170 1.00 21.43 C ATOM 579 O THR A 35 11.366 -10.625 9.265 1.00 61.13 O ATOM 580 CB THR A 35 10.384 -13.041 11.241 1.00 42.42 C ATOM 581 OG1 THR A 35 11.763 -13.226 10.902 1.00 61.24 O ATOM 582 CG2 THR A 35 9.671 -14.385 11.243 1.00 21.42 C ATOM 0 H THR A 35 10.395 -13.192 8.607 1.00 73.35 H new ATOM 0 HA THR A 35 8.717 -11.832 10.596 1.00 10.14 H new ATOM 0 HB THR A 35 10.312 -12.608 12.239 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.177 -13.842 11.542 1.00 61.24 H new ATOM 0 HG21 THR A 35 10.157 -15.053 11.954 1.00 21.42 H new ATOM 0 HG22 THR A 35 8.629 -14.244 11.531 1.00 21.42 H new ATOM 0 HG23 THR A 35 9.716 -14.822 10.245 1.00 21.42 H new ATOM 643 N VAL A 40 7.456 -13.096 13.691 1.00 13.33 N ATOM 644 CA VAL A 40 6.829 -13.190 12.378 1.00 41.44 C ATOM 645 C VAL A 40 5.689 -12.188 12.239 1.00 63.31 C ATOM 646 O VAL A 40 5.047 -11.822 13.225 1.00 63.13 O ATOM 647 CB VAL A 40 6.286 -14.608 12.115 1.00 45.24 C ATOM 648 CG1 VAL A 40 5.111 -14.908 13.033 1.00 55.31 C ATOM 649 CG2 VAL A 40 5.886 -14.763 10.656 1.00 51.40 C ATOM 0 HA VAL A 40 7.601 -12.962 11.643 1.00 41.44 H new ATOM 0 HB VAL A 40 7.077 -15.327 12.329 1.00 45.24 H new ATOM 0 HG11 VAL A 40 4.741 -15.913 12.833 1.00 55.31 H new ATOM 0 HG12 VAL A 40 5.434 -14.840 14.072 1.00 55.31 H new ATOM 0 HG13 VAL A 40 4.315 -14.186 12.853 1.00 55.31 H new ATOM 0 HG21 VAL A 40 5.505 -15.770 10.488 1.00 51.40 H new ATOM 0 HG22 VAL A 40 5.111 -14.036 10.412 1.00 51.40 H new ATOM 0 HG23 VAL A 40 6.755 -14.593 10.020 1.00 51.40 H new ATOM 659 N VAL A 41 5.441 -11.747 11.010 1.00 34.35 N ATOM 660 CA VAL A 41 4.377 -10.788 10.742 1.00 44.34 C ATOM 661 C VAL A 41 3.417 -11.313 9.681 1.00 12.15 C ATOM 662 O VAL A 41 2.281 -10.853 9.573 1.00 4.11 O ATOM 663 CB VAL A 41 4.946 -9.433 10.277 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.705 -8.756 11.409 1.00 40.14 C ATOM 665 CG2 VAL A 41 5.840 -9.620 9.061 1.00 22.42 C ATOM 0 H VAL A 41 5.963 -12.039 10.184 1.00 34.35 H new ATOM 0 HA VAL A 41 3.837 -10.646 11.678 1.00 44.34 H new ATOM 0 HB VAL A 41 4.115 -8.788 9.992 1.00 3.41 H new ATOM 0 HG11 VAL A 41 6.100 -7.801 11.062 1.00 40.14 H new ATOM 0 HG12 VAL A 41 5.031 -8.587 12.249 1.00 40.14 H new ATOM 0 HG13 VAL A 41 6.529 -9.395 11.728 1.00 40.14 H new ATOM 0 HG21 VAL A 41 6.233 -8.653 8.746 1.00 22.42 H new ATOM 0 HG22 VAL A 41 6.667 -10.282 9.316 1.00 22.42 H new ATOM 0 HG23 VAL A 41 5.261 -10.059 8.248 1.00 22.42 H new ATOM 675 N LYS A 42 3.882 -12.282 8.899 1.00 42.43 N ATOM 676 CA LYS A 42 3.065 -12.874 7.846 1.00 33.55 C ATOM 677 C LYS A 42 3.637 -14.218 7.405 1.00 43.41 C ATOM 678 O LYS A 42 4.825 -14.482 7.574 1.00 1.03 O ATOM 679 CB LYS A 42 2.977 -11.927 6.648 1.00 52.12 C ATOM 680 CG LYS A 42 1.566 -11.448 6.352 1.00 64.32 C ATOM 681 CD LYS A 42 1.404 -9.968 6.657 1.00 52.31 C ATOM 682 CE LYS A 42 0.357 -9.732 7.734 1.00 23.22 C ATOM 683 NZ LYS A 42 -0.961 -9.356 7.153 1.00 13.02 N1+ ATOM 0 H LYS A 42 4.821 -12.674 8.975 1.00 42.43 H new ATOM 0 HA LYS A 42 2.064 -13.038 8.245 1.00 33.55 H new ATOM 0 HB2 LYS A 42 3.614 -11.062 6.832 1.00 52.12 H new ATOM 0 HB3 LYS A 42 3.372 -12.432 5.767 1.00 52.12 H new ATOM 0 HG2 LYS A 42 1.331 -11.632 5.304 1.00 64.32 H new ATOM 0 HG3 LYS A 42 0.854 -12.023 6.944 1.00 64.32 H new ATOM 0 HD2 LYS A 42 2.360 -9.555 6.981 1.00 52.31 H new ATOM 0 HD3 LYS A 42 1.119 -9.437 5.749 1.00 52.31 H new ATOM 0 HE2 LYS A 42 0.245 -10.634 8.335 1.00 23.22 H new ATOM 0 HE3 LYS A 42 0.697 -8.943 8.404 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -1.647 -9.204 7.919 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -0.860 -8.481 6.600 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -1.298 -10.120 6.533 1.00 13.02 H new ATOM 697 N ASN A 43 2.781 -15.063 6.838 1.00 34.54 N ATOM 698 CA ASN A 43 3.202 -16.379 6.372 1.00 55.25 C ATOM 699 C ASN A 43 3.237 -16.430 4.848 1.00 40.53 C ATOM 700 O ASN A 43 2.577 -15.640 4.175 1.00 31.40 O ATOM 701 CB ASN A 43 2.258 -17.458 6.908 1.00 53.41 C ATOM 702 CG ASN A 43 0.805 -17.029 6.864 1.00 44.33 C ATOM 703 OD1 ASN A 43 0.303 -16.601 5.825 1.00 24.42 O ATOM 704 ND2 ASN A 43 0.120 -17.141 7.997 1.00 72.11 N ATOM 0 H ASN A 43 1.792 -14.860 6.690 1.00 34.54 H new ATOM 0 HA ASN A 43 4.208 -16.566 6.748 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.383 -18.369 6.323 1.00 53.41 H new ATOM 0 HB3 ASN A 43 2.532 -17.699 7.935 1.00 53.41 H new ATOM 0 HD21 ASN A 43 -0.862 -16.867 8.028 1.00 72.11 H new ATOM 0 HD22 ASN A 43 0.576 -17.501 8.835 1.00 72.11 H new ATOM 711 N TRP A 44 4.013 -17.366 4.311 1.00 22.12 N ATOM 712 CA TRP A 44 4.134 -17.521 2.867 1.00 23.21 C ATOM 713 C TRP A 44 4.282 -18.990 2.486 1.00 15.33 C ATOM 714 O TRP A 44 4.944 -19.758 3.184 1.00 44.21 O ATOM 715 CB TRP A 44 5.332 -16.724 2.346 1.00 45.14 C ATOM 716 CG TRP A 44 4.943 -15.558 1.488 1.00 71.55 C ATOM 717 CD1 TRP A 44 4.786 -15.555 0.132 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.664 -14.225 1.930 1.00 22.02 C ATOM 719 NE1 TRP A 44 4.426 -14.300 -0.296 1.00 52.22 N ATOM 720 CE2 TRP A 44 4.344 -13.466 0.787 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.652 -13.599 3.179 1.00 55.22 C ATOM 722 CZ2 TRP A 44 4.017 -12.115 0.860 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.327 -12.258 3.249 1.00 62.30 C ATOM 724 CH2 TRP A 44 4.012 -11.527 2.095 1.00 1.02 C ATOM 0 H TRP A 44 4.567 -18.028 4.854 1.00 22.12 H new ATOM 0 HA TRP A 44 3.223 -17.136 2.409 1.00 23.21 H new ATOM 0 HB2 TRP A 44 5.915 -16.364 3.193 1.00 45.14 H new ATOM 0 HB3 TRP A 44 5.979 -17.388 1.773 1.00 45.14 H new ATOM 0 HD1 TRP A 44 4.924 -16.413 -0.510 1.00 73.33 H new ATOM 0 HE1 TRP A 44 4.248 -14.033 -1.264 1.00 52.22 H new ATOM 0 HE3 TRP A 44 4.893 -14.154 4.074 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 3.775 -11.550 -0.028 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.315 -11.764 4.209 1.00 62.30 H new ATOM 0 HH2 TRP A 44 3.761 -10.480 2.183 1.00 1.02 H new ATOM 735 N VAL A 45 3.661 -19.375 1.377 1.00 5.25 N ATOM 736 CA VAL A 45 3.724 -20.753 0.904 1.00 60.54 C ATOM 737 C VAL A 45 4.119 -20.811 -0.568 1.00 5.42 C ATOM 738 O VAL A 45 3.692 -19.980 -1.369 1.00 33.13 O ATOM 739 CB VAL A 45 2.376 -21.473 1.092 1.00 52.33 C ATOM 740 CG1 VAL A 45 2.337 -22.756 0.274 1.00 0.31 C ATOM 741 CG2 VAL A 45 2.128 -21.762 2.564 1.00 33.43 C ATOM 0 H VAL A 45 3.108 -18.752 0.788 1.00 5.25 H new ATOM 0 HA VAL A 45 4.483 -21.259 1.501 1.00 60.54 H new ATOM 0 HB VAL A 45 1.581 -20.818 0.735 1.00 52.33 H new ATOM 0 HG11 VAL A 45 1.377 -23.251 0.419 1.00 0.31 H new ATOM 0 HG12 VAL A 45 2.466 -22.518 -0.782 1.00 0.31 H new ATOM 0 HG13 VAL A 45 3.140 -23.419 0.598 1.00 0.31 H new ATOM 0 HG21 VAL A 45 1.171 -22.271 2.679 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.925 -22.397 2.949 1.00 33.43 H new ATOM 0 HG23 VAL A 45 2.109 -20.825 3.121 1.00 33.43 H new ATOM 751 N MET A 46 4.935 -21.799 -0.917 1.00 62.23 N ATOM 752 CA MET A 46 5.386 -21.968 -2.294 1.00 35.14 C ATOM 753 C MET A 46 4.609 -23.082 -2.988 1.00 72.04 C ATOM 754 O MET A 46 4.779 -24.260 -2.672 1.00 51.41 O ATOM 755 CB MET A 46 6.884 -22.278 -2.328 1.00 33.01 C ATOM 756 CG MET A 46 7.642 -21.494 -3.388 1.00 43.13 C ATOM 757 SD MET A 46 8.304 -19.939 -2.762 1.00 65.24 S ATOM 758 CE MET A 46 9.998 -20.406 -2.416 1.00 25.52 C ATOM 0 H MET A 46 5.298 -22.495 -0.266 1.00 62.23 H new ATOM 0 HA MET A 46 5.203 -21.035 -2.827 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.314 -22.061 -1.350 1.00 33.01 H new ATOM 0 HB3 MET A 46 7.022 -23.344 -2.508 1.00 33.01 H new ATOM 0 HG2 MET A 46 8.460 -22.105 -3.770 1.00 43.13 H new ATOM 0 HG3 MET A 46 6.977 -21.290 -4.227 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.462 -19.649 -1.785 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.013 -21.367 -1.901 1.00 25.52 H new ATOM 0 HE3 MET A 46 10.551 -20.487 -3.352 1.00 25.52 H new ATOM 768 N ASP A 47 3.757 -22.701 -3.933 1.00 71.12 N ATOM 769 CA ASP A 47 2.954 -23.668 -4.673 1.00 32.40 C ATOM 770 C ASP A 47 3.715 -24.192 -5.887 1.00 53.15 C ATOM 771 O ASP A 47 3.587 -23.659 -6.991 1.00 2.25 O ATOM 772 CB ASP A 47 1.634 -23.034 -5.117 1.00 13.44 C ATOM 773 CG ASP A 47 0.429 -23.714 -4.498 1.00 55.42 C ATOM 774 OD1 ASP A 47 0.383 -24.962 -4.506 1.00 11.32 O1- ATOM 775 OD2 ASP A 47 -0.469 -22.998 -4.007 1.00 72.40 O ATOM 0 H ASP A 47 3.604 -21.730 -4.205 1.00 71.12 H new ATOM 0 HA ASP A 47 2.740 -24.507 -4.011 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.632 -21.978 -4.845 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.558 -23.084 -6.203 1.00 13.44 H new ATOM 780 N LEU A 48 4.508 -25.236 -5.677 1.00 3.45 N ATOM 781 CA LEU A 48 5.292 -25.831 -6.753 1.00 34.13 C ATOM 782 C LEU A 48 4.411 -26.685 -7.660 1.00 74.54 C ATOM 783 O LEU A 48 4.844 -27.132 -8.722 1.00 65.54 O ATOM 784 CB LEU A 48 6.425 -26.681 -6.176 1.00 41.41 C ATOM 785 CG LEU A 48 7.711 -25.935 -5.821 1.00 71.10 C ATOM 786 CD1 LEU A 48 7.697 -25.511 -4.361 1.00 72.14 C ATOM 787 CD2 LEU A 48 8.928 -26.799 -6.116 1.00 24.33 C ATOM 0 H LEU A 48 4.625 -25.689 -4.770 1.00 3.45 H new ATOM 0 HA LEU A 48 5.719 -25.023 -7.347 1.00 34.13 H new ATOM 0 HB2 LEU A 48 6.058 -27.178 -5.278 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.669 -27.462 -6.896 1.00 41.41 H new ATOM 0 HG LEU A 48 7.769 -25.038 -6.438 1.00 71.10 H new ATOM 0 HD11 LEU A 48 8.621 -24.981 -4.127 1.00 72.14 H new ATOM 0 HD12 LEU A 48 6.846 -24.854 -4.181 1.00 72.14 H new ATOM 0 HD13 LEU A 48 7.614 -26.393 -3.727 1.00 72.14 H new ATOM 0 HD21 LEU A 48 9.834 -26.252 -5.857 1.00 24.33 H new ATOM 0 HD22 LEU A 48 8.876 -27.714 -5.526 1.00 24.33 H new ATOM 0 HD23 LEU A 48 8.947 -27.051 -7.176 1.00 24.33 H new ATOM 799 N LYS A 49 3.172 -26.905 -7.235 1.00 53.41 N ATOM 800 CA LYS A 49 2.228 -27.702 -8.009 1.00 44.45 C ATOM 801 C LYS A 49 1.557 -26.856 -9.087 1.00 13.33 C ATOM 802 O LYS A 49 1.579 -27.205 -10.266 1.00 1.23 O ATOM 803 CB LYS A 49 1.166 -28.309 -7.089 1.00 43.22 C ATOM 804 CG LYS A 49 1.698 -29.413 -6.192 1.00 30.32 C ATOM 805 CD LYS A 49 0.636 -29.905 -5.223 1.00 53.45 C ATOM 806 CE LYS A 49 1.032 -31.227 -4.586 1.00 64.21 C ATOM 807 NZ LYS A 49 -0.051 -31.774 -3.721 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.798 -26.542 -6.358 1.00 53.41 H new ATOM 0 HA LYS A 49 2.782 -28.505 -8.494 1.00 44.45 H new ATOM 0 HB2 LYS A 49 0.742 -27.520 -6.468 1.00 43.22 H new ATOM 0 HB3 LYS A 49 0.354 -28.707 -7.698 1.00 43.22 H new ATOM 0 HG2 LYS A 49 2.046 -30.245 -6.805 1.00 30.32 H new ATOM 0 HG3 LYS A 49 2.559 -29.046 -5.634 1.00 30.32 H new ATOM 0 HD2 LYS A 49 0.478 -29.158 -4.445 1.00 53.45 H new ATOM 0 HD3 LYS A 49 -0.311 -30.023 -5.749 1.00 53.45 H new ATOM 0 HE2 LYS A 49 1.272 -31.949 -5.367 1.00 64.21 H new ATOM 0 HE3 LYS A 49 1.935 -31.088 -3.992 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 0.259 -32.676 -3.306 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 -0.263 -31.097 -2.960 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -0.906 -31.931 -4.292 1.00 62.40 H new ATOM 821 N ASN A 50 0.963 -25.740 -8.673 1.00 2.35 N ATOM 822 CA ASN A 50 0.287 -24.845 -9.604 1.00 41.40 C ATOM 823 C ASN A 50 1.280 -23.879 -10.248 1.00 40.41 C ATOM 824 O ASN A 50 0.925 -23.112 -11.142 1.00 2.41 O ATOM 825 CB ASN A 50 -0.811 -24.059 -8.884 1.00 14.33 C ATOM 826 CG ASN A 50 -2.077 -23.948 -9.709 1.00 4.31 C ATOM 827 OD1 ASN A 50 -2.064 -23.418 -10.819 1.00 4.24 O ATOM 828 ND2 ASN A 50 -3.182 -24.449 -9.167 1.00 4.23 N ATOM 0 H ASN A 50 0.937 -25.435 -7.700 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.165 -25.452 -10.389 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -1.040 -24.545 -7.936 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -0.445 -23.060 -8.649 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -4.065 -24.403 -9.675 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -3.147 -24.880 -8.243 1.00 4.23 H new ATOM 835 N VAL A 51 2.525 -23.924 -9.785 1.00 64.11 N ATOM 836 CA VAL A 51 3.569 -23.055 -10.314 1.00 54.52 C ATOM 837 C VAL A 51 3.303 -21.596 -9.960 1.00 42.10 C ATOM 838 O VAL A 51 3.440 -20.707 -10.800 1.00 10.33 O ATOM 839 CB VAL A 51 3.686 -23.188 -11.844 1.00 71.44 C ATOM 840 CG1 VAL A 51 5.021 -22.643 -12.327 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.506 -24.637 -12.269 1.00 50.43 C ATOM 0 H VAL A 51 2.835 -24.553 -9.045 1.00 64.11 H new ATOM 0 HA VAL A 51 4.506 -23.371 -9.856 1.00 54.52 H new ATOM 0 HB VAL A 51 2.893 -22.598 -12.304 1.00 71.44 H new ATOM 0 HG11 VAL A 51 5.085 -22.746 -13.410 1.00 71.12 H new ATOM 0 HG12 VAL A 51 5.104 -21.590 -12.057 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.832 -23.202 -11.861 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.592 -24.712 -13.353 1.00 50.43 H new ATOM 0 HG22 VAL A 51 4.275 -25.252 -11.801 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.522 -24.988 -11.958 1.00 50.43 H new ATOM 851 N LYS A 52 2.921 -21.357 -8.710 1.00 54.43 N ATOM 852 CA LYS A 52 2.637 -20.006 -8.242 1.00 32.42 C ATOM 853 C LYS A 52 2.975 -19.861 -6.761 1.00 50.21 C ATOM 854 O LYS A 52 3.194 -20.853 -6.064 1.00 11.15 O ATOM 855 CB LYS A 52 1.164 -19.662 -8.476 1.00 21.22 C ATOM 856 CG LYS A 52 0.954 -18.514 -9.447 1.00 10.13 C ATOM 857 CD LYS A 52 -0.150 -18.821 -10.444 1.00 32.21 C ATOM 858 CE LYS A 52 -0.371 -17.665 -11.406 1.00 73.31 C ATOM 859 NZ LYS A 52 -0.626 -18.139 -12.795 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.801 -22.082 -8.003 1.00 54.43 H new ATOM 0 HA LYS A 52 3.260 -19.314 -8.808 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.649 -20.545 -8.854 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.703 -19.408 -7.521 1.00 21.22 H new ATOM 0 HG2 LYS A 52 0.704 -17.609 -8.893 1.00 10.13 H new ATOM 0 HG3 LYS A 52 1.883 -18.314 -9.981 1.00 10.13 H new ATOM 0 HD2 LYS A 52 0.106 -19.719 -11.006 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -1.076 -19.032 -9.909 1.00 32.21 H new ATOM 0 HE2 LYS A 52 -1.216 -17.066 -11.066 1.00 73.31 H new ATOM 0 HE3 LYS A 52 0.504 -17.015 -11.399 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -0.772 -17.321 -13.420 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 0.191 -18.689 -13.130 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -1.476 -18.739 -12.807 1.00 35.03 H new ATOM 873 N LEU A 53 3.015 -18.621 -6.288 1.00 61.23 N ATOM 874 CA LEU A 53 3.325 -18.345 -4.889 1.00 12.34 C ATOM 875 C LEU A 53 2.144 -17.680 -4.190 1.00 64.35 C ATOM 876 O LEU A 53 1.484 -16.809 -4.758 1.00 64.45 O ATOM 877 CB LEU A 53 4.563 -17.452 -4.786 1.00 22.14 C ATOM 878 CG LEU A 53 5.863 -18.151 -4.389 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.322 -19.093 -5.491 1.00 71.22 C ATOM 880 CD2 LEU A 53 6.945 -17.127 -4.076 1.00 42.33 C ATOM 0 H LEU A 53 2.837 -17.790 -6.852 1.00 61.23 H new ATOM 0 HA LEU A 53 3.528 -19.295 -4.394 1.00 12.34 H new ATOM 0 HB2 LEU A 53 4.716 -16.964 -5.749 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.360 -16.666 -4.059 1.00 22.14 H new ATOM 0 HG LEU A 53 5.676 -18.740 -3.491 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.249 -19.581 -5.190 1.00 71.22 H new ATOM 0 HD12 LEU A 53 5.555 -19.847 -5.668 1.00 71.22 H new ATOM 0 HD13 LEU A 53 6.491 -18.527 -6.407 1.00 71.22 H new ATOM 0 HD21 LEU A 53 7.863 -17.642 -3.795 1.00 42.33 H new ATOM 0 HD22 LEU A 53 7.129 -16.511 -4.956 1.00 42.33 H new ATOM 0 HD23 LEU A 53 6.618 -16.493 -3.252 1.00 42.33 H new ATOM 892 N VAL A 54 1.883 -18.094 -2.954 1.00 5.45 N ATOM 893 CA VAL A 54 0.784 -17.535 -2.176 1.00 41.23 C ATOM 894 C VAL A 54 1.209 -17.273 -0.735 1.00 45.12 C ATOM 895 O VAL A 54 2.222 -17.795 -0.272 1.00 72.40 O ATOM 896 CB VAL A 54 -0.437 -18.473 -2.177 1.00 72.04 C ATOM 897 CG1 VAL A 54 -0.825 -18.842 -3.601 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.153 -19.719 -1.353 1.00 11.01 C ATOM 0 H VAL A 54 2.418 -18.815 -2.470 1.00 5.45 H new ATOM 0 HA VAL A 54 0.509 -16.592 -2.648 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.277 -17.948 -1.721 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.690 -19.505 -3.582 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -1.073 -17.938 -4.156 1.00 71.10 H new ATOM 0 HG13 VAL A 54 0.010 -19.348 -4.086 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -1.027 -20.370 -1.365 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.700 -20.249 -1.777 1.00 11.01 H new ATOM 0 HG23 VAL A 54 0.072 -19.432 -0.326 1.00 11.01 H new ATOM 908 N GLU A 55 0.425 -16.462 -0.032 1.00 21.23 N ATOM 909 CA GLU A 55 0.720 -16.131 1.357 1.00 34.21 C ATOM 910 C GLU A 55 -0.098 -16.999 2.310 1.00 31.12 C ATOM 911 O GLU A 55 -1.306 -16.810 2.456 1.00 24.40 O ATOM 912 CB GLU A 55 0.434 -14.652 1.625 1.00 60.31 C ATOM 913 CG GLU A 55 -0.931 -14.198 1.136 1.00 21.34 C ATOM 914 CD GLU A 55 -0.860 -13.439 -0.174 1.00 40.15 C ATOM 915 OE1 GLU A 55 -0.144 -12.418 -0.230 1.00 73.52 O1- ATOM 916 OE2 GLU A 55 -1.520 -13.867 -1.144 1.00 15.53 O ATOM 0 H GLU A 55 -0.418 -16.023 -0.401 1.00 21.23 H new ATOM 0 HA GLU A 55 1.778 -16.327 1.532 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.508 -14.465 2.696 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.203 -14.049 1.142 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -1.576 -15.068 1.013 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -1.392 -13.564 1.894 1.00 21.34 H new ATOM 923 N SER A 56 0.569 -17.951 2.955 1.00 73.41 N ATOM 924 CA SER A 56 -0.096 -18.850 3.889 1.00 43.24 C ATOM 925 C SER A 56 0.924 -19.621 4.721 1.00 1.33 C ATOM 926 O SER A 56 2.113 -19.641 4.403 1.00 11.10 O ATOM 927 CB SER A 56 -0.998 -19.829 3.134 1.00 44.34 C ATOM 928 OG SER A 56 -2.348 -19.396 3.152 1.00 12.25 O ATOM 0 H SER A 56 1.569 -18.119 2.847 1.00 73.41 H new ATOM 0 HA SER A 56 -0.707 -18.247 4.561 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.656 -19.922 2.103 1.00 44.34 H new ATOM 0 HB3 SER A 56 -0.924 -20.819 3.585 1.00 44.34 H new ATOM 0 HG SER A 56 -2.388 -18.441 2.934 1.00 12.25 H new ATOM 934 N ASP A 57 0.450 -20.254 5.789 1.00 31.32 N ATOM 935 CA ASP A 57 1.320 -21.027 6.668 1.00 71.22 C ATOM 936 C ASP A 57 0.767 -22.434 6.878 1.00 51.13 C ATOM 937 O ASP A 57 -0.330 -22.607 7.406 1.00 50.20 O ATOM 938 CB ASP A 57 1.477 -20.321 8.015 1.00 63.23 C ATOM 939 CG ASP A 57 1.507 -21.292 9.179 1.00 3.54 C ATOM 940 OD1 ASP A 57 2.601 -21.803 9.497 1.00 2.01 O1- ATOM 941 OD2 ASP A 57 0.436 -21.542 9.770 1.00 34.13 O ATOM 0 H ASP A 57 -0.531 -20.247 6.067 1.00 31.32 H new ATOM 0 HA ASP A 57 2.298 -21.107 6.193 1.00 71.22 H new ATOM 0 HB2 ASP A 57 2.397 -19.736 8.010 1.00 63.23 H new ATOM 0 HB3 ASP A 57 0.654 -19.620 8.152 1.00 63.23 H new ATOM 946 N ASP A 58 1.536 -23.433 6.461 1.00 42.15 N ATOM 947 CA ASP A 58 1.124 -24.825 6.604 1.00 13.22 C ATOM 948 C ASP A 58 2.332 -25.730 6.824 1.00 50.02 C ATOM 949 O ASP A 58 3.469 -25.338 6.563 1.00 32.03 O ATOM 950 CB ASP A 58 0.349 -25.280 5.366 1.00 32.33 C ATOM 951 CG ASP A 58 -0.424 -24.147 4.719 1.00 34.24 C ATOM 952 OD1 ASP A 58 -1.472 -23.754 5.271 1.00 21.22 O1- ATOM 953 OD2 ASP A 58 0.018 -23.656 3.659 1.00 62.33 O ATOM 0 H ASP A 58 2.448 -23.306 6.021 1.00 42.15 H new ATOM 0 HA ASP A 58 0.475 -24.898 7.477 1.00 13.22 H new ATOM 0 HB2 ASP A 58 1.044 -25.703 4.641 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.342 -26.075 5.645 1.00 32.33 H new ATOM 958 N ALA A 59 2.077 -26.942 7.306 1.00 54.42 N ATOM 959 CA ALA A 59 3.144 -27.903 7.560 1.00 64.04 C ATOM 960 C ALA A 59 3.803 -28.348 6.259 1.00 23.53 C ATOM 961 O ALA A 59 3.355 -29.298 5.618 1.00 64.14 O ATOM 962 CB ALA A 59 2.601 -29.106 8.318 1.00 20.01 C ATOM 0 H ALA A 59 1.141 -27.282 7.528 1.00 54.42 H new ATOM 0 HA ALA A 59 3.902 -27.414 8.172 1.00 64.04 H new ATOM 0 HB1 ALA A 59 3.408 -29.815 8.501 1.00 20.01 H new ATOM 0 HB2 ALA A 59 2.183 -28.778 9.270 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.822 -29.587 7.727 1.00 20.01 H new ATOM 968 N ALA A 60 4.870 -27.654 5.874 1.00 25.42 N ATOM 969 CA ALA A 60 5.591 -27.980 4.650 1.00 52.24 C ATOM 970 C ALA A 60 6.768 -28.905 4.935 1.00 52.10 C ATOM 971 O ALA A 60 7.284 -28.942 6.053 1.00 32.51 O ATOM 972 CB ALA A 60 6.072 -26.708 3.967 1.00 60.25 C ATOM 0 H ALA A 60 5.253 -26.863 6.392 1.00 25.42 H new ATOM 0 HA ALA A 60 4.906 -28.502 3.983 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.609 -26.966 3.054 1.00 60.25 H new ATOM 0 HB2 ALA A 60 5.215 -26.082 3.719 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.737 -26.164 4.638 1.00 60.25 H new ATOM 978 N GLU A 61 7.187 -29.653 3.920 1.00 12.15 N ATOM 979 CA GLU A 61 8.303 -30.580 4.065 1.00 60.24 C ATOM 980 C GLU A 61 9.596 -29.832 4.374 1.00 60.45 C ATOM 981 O GLU A 61 10.574 -30.423 4.832 1.00 34.32 O ATOM 982 CB GLU A 61 8.474 -31.411 2.790 1.00 40.01 C ATOM 983 CG GLU A 61 7.853 -32.795 2.879 1.00 60.43 C ATOM 984 CD GLU A 61 6.337 -32.759 2.847 1.00 63.55 C ATOM 985 OE1 GLU A 61 5.779 -31.960 2.066 1.00 4.32 O1- ATOM 986 OE2 GLU A 61 5.710 -33.527 3.606 1.00 10.35 O ATOM 0 H GLU A 61 6.771 -29.635 2.989 1.00 12.15 H new ATOM 0 HA GLU A 61 8.081 -31.247 4.898 1.00 60.24 H new ATOM 0 HB2 GLU A 61 8.027 -30.874 1.954 1.00 40.01 H new ATOM 0 HB3 GLU A 61 9.537 -31.512 2.572 1.00 40.01 H new ATOM 0 HG2 GLU A 61 8.215 -33.405 2.052 1.00 60.43 H new ATOM 0 HG3 GLU A 61 8.182 -33.278 3.799 1.00 60.43 H new ATOM 993 N ALA A 62 9.594 -28.528 4.117 1.00 4.02 N ATOM 994 CA ALA A 62 10.765 -27.698 4.369 1.00 60.23 C ATOM 995 C ALA A 62 10.360 -26.291 4.796 1.00 52.32 C ATOM 996 O ALA A 62 9.613 -25.608 4.095 1.00 12.21 O ATOM 997 CB ALA A 62 11.648 -27.641 3.131 1.00 14.02 C ATOM 0 H ALA A 62 8.794 -28.024 3.734 1.00 4.02 H new ATOM 0 HA ALA A 62 11.330 -28.149 5.185 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.519 -27.018 3.334 1.00 14.02 H new ATOM 0 HB2 ALA A 62 11.975 -28.648 2.871 1.00 14.02 H new ATOM 0 HB3 ALA A 62 11.083 -27.217 2.301 1.00 14.02 H new ATOM 1003 N THR A 63 10.856 -25.863 5.953 1.00 64.23 N ATOM 1004 CA THR A 63 10.544 -24.538 6.475 1.00 11.41 C ATOM 1005 C THR A 63 11.680 -23.559 6.204 1.00 73.24 C ATOM 1006 O THR A 63 12.838 -23.831 6.524 1.00 53.04 O ATOM 1007 CB THR A 63 10.269 -24.582 7.990 1.00 31.34 C ATOM 1008 OG1 THR A 63 9.069 -25.319 8.250 1.00 62.11 O ATOM 1009 CG2 THR A 63 10.140 -23.177 8.557 1.00 45.10 C ATOM 0 H THR A 63 11.475 -26.415 6.546 1.00 64.23 H new ATOM 0 HA THR A 63 9.645 -24.199 5.960 1.00 11.41 H new ATOM 0 HB THR A 63 11.110 -25.077 8.475 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.903 -25.343 9.215 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.946 -23.233 9.628 1.00 45.10 H new ATOM 0 HG22 THR A 63 11.066 -22.628 8.384 1.00 45.10 H new ATOM 0 HG23 THR A 63 9.315 -22.661 8.066 1.00 45.10 H new ATOM 1017 N LEU A 64 11.342 -22.417 5.614 1.00 31.21 N ATOM 1018 CA LEU A 64 12.336 -21.395 5.300 1.00 23.22 C ATOM 1019 C LEU A 64 11.941 -20.051 5.902 1.00 10.31 C ATOM 1020 O LEU A 64 11.046 -19.372 5.398 1.00 34.35 O ATOM 1021 CB LEU A 64 12.497 -21.262 3.785 1.00 42.20 C ATOM 1022 CG LEU A 64 13.235 -22.404 3.085 1.00 33.54 C ATOM 1023 CD1 LEU A 64 12.314 -23.113 2.104 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.475 -21.882 2.375 1.00 33.52 C ATOM 0 H LEU A 64 10.389 -22.175 5.344 1.00 31.21 H new ATOM 0 HA LEU A 64 13.288 -21.701 5.734 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.506 -21.171 3.341 1.00 42.20 H new ATOM 0 HB3 LEU A 64 13.026 -20.332 3.576 1.00 42.20 H new ATOM 0 HG LEU A 64 13.550 -23.124 3.840 1.00 33.54 H new ATOM 0 HD11 LEU A 64 12.857 -23.922 1.616 1.00 24.14 H new ATOM 0 HD12 LEU A 64 11.457 -23.522 2.640 1.00 24.14 H new ATOM 0 HD13 LEU A 64 11.967 -22.404 1.353 1.00 24.14 H new ATOM 0 HD21 LEU A 64 14.987 -22.709 1.883 1.00 33.52 H new ATOM 0 HD22 LEU A 64 14.183 -21.141 1.631 1.00 33.52 H new ATOM 0 HD23 LEU A 64 15.144 -21.422 3.102 1.00 33.52 H new ATOM 1036 N THR A 65 12.617 -19.670 6.981 1.00 71.33 N ATOM 1037 CA THR A 65 12.339 -18.405 7.651 1.00 73.12 C ATOM 1038 C THR A 65 13.328 -17.327 7.225 1.00 14.11 C ATOM 1039 O THR A 65 14.538 -17.549 7.224 1.00 44.01 O ATOM 1040 CB THR A 65 12.390 -18.557 9.182 1.00 74.44 C ATOM 1041 OG1 THR A 65 12.019 -19.890 9.555 1.00 70.01 O ATOM 1042 CG2 THR A 65 11.461 -17.559 9.857 1.00 42.34 C ATOM 0 H THR A 65 13.361 -20.220 7.410 1.00 71.33 H new ATOM 0 HA THR A 65 11.333 -18.107 7.356 1.00 73.12 H new ATOM 0 HB THR A 65 13.410 -18.359 9.510 1.00 74.44 H new ATOM 0 HG1 THR A 65 12.825 -20.410 9.754 1.00 70.01 H new ATOM 0 HG21 THR A 65 11.514 -17.686 10.938 1.00 42.34 H new ATOM 0 HG22 THR A 65 11.764 -16.545 9.595 1.00 42.34 H new ATOM 0 HG23 THR A 65 10.438 -17.730 9.522 1.00 42.34 H new ATOM 1050 N MET A 66 12.806 -16.160 6.863 1.00 44.23 N ATOM 1051 CA MET A 66 13.647 -15.047 6.437 1.00 35.33 C ATOM 1052 C MET A 66 12.913 -13.720 6.598 1.00 74.32 C ATOM 1053 O MET A 66 11.685 -13.684 6.672 1.00 1.23 O ATOM 1054 CB MET A 66 14.075 -15.232 4.980 1.00 73.33 C ATOM 1055 CG MET A 66 15.427 -15.909 4.825 1.00 31.14 C ATOM 1056 SD MET A 66 15.558 -16.858 3.299 1.00 74.11 S ATOM 1057 CE MET A 66 17.144 -17.658 3.531 1.00 64.32 C ATOM 0 H MET A 66 11.806 -15.960 6.856 1.00 44.23 H new ATOM 0 HA MET A 66 14.534 -15.031 7.070 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.320 -15.823 4.460 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.108 -14.257 4.493 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.212 -15.153 4.847 1.00 31.14 H new ATOM 0 HG3 MET A 66 15.598 -16.570 5.675 1.00 31.14 H new ATOM 0 HE1 MET A 66 17.557 -17.936 2.561 1.00 64.32 H new ATOM 0 HE2 MET A 66 17.827 -16.973 4.033 1.00 64.32 H new ATOM 0 HE3 MET A 66 17.015 -18.553 4.140 1.00 64.32 H new ATOM 1067 N GLU A 67 13.673 -12.630 6.654 1.00 74.44 N ATOM 1068 CA GLU A 67 13.094 -11.301 6.808 1.00 65.21 C ATOM 1069 C GLU A 67 12.847 -10.654 5.449 1.00 21.25 C ATOM 1070 O GLU A 67 13.459 -11.033 4.450 1.00 71.54 O ATOM 1071 CB GLU A 67 14.015 -10.413 7.649 1.00 61.44 C ATOM 1072 CG GLU A 67 14.384 -11.019 8.993 1.00 20.41 C ATOM 1073 CD GLU A 67 14.932 -9.992 9.964 1.00 50.14 C ATOM 1074 OE1 GLU A 67 14.999 -8.801 9.593 1.00 70.53 O ATOM 1075 OE2 GLU A 67 15.292 -10.378 11.095 1.00 14.41 O1- ATOM 0 H GLU A 67 14.691 -12.642 6.595 1.00 74.44 H new ATOM 0 HA GLU A 67 12.137 -11.407 7.319 1.00 65.21 H new ATOM 0 HB2 GLU A 67 14.927 -10.215 7.087 1.00 61.44 H new ATOM 0 HB3 GLU A 67 13.527 -9.452 7.815 1.00 61.44 H new ATOM 0 HG2 GLU A 67 13.504 -11.492 9.428 1.00 20.41 H new ATOM 0 HG3 GLU A 67 15.126 -11.803 8.843 1.00 20.41 H new ATOM 1082 N ASP A 68 11.947 -9.677 5.420 1.00 21.12 N ATOM 1083 CA ASP A 68 11.619 -8.976 4.184 1.00 71.10 C ATOM 1084 C ASP A 68 12.881 -8.461 3.501 1.00 24.42 C ATOM 1085 O ASP A 68 13.143 -8.774 2.340 1.00 74.24 O ATOM 1086 CB ASP A 68 10.667 -7.815 4.469 1.00 64.02 C ATOM 1087 CG ASP A 68 9.426 -7.856 3.599 1.00 31.40 C ATOM 1088 OD1 ASP A 68 8.954 -8.971 3.290 1.00 12.13 O ATOM 1089 OD2 ASP A 68 8.926 -6.775 3.227 1.00 75.34 O1- ATOM 0 H ASP A 68 11.432 -9.353 6.238 1.00 21.12 H new ATOM 0 HA ASP A 68 11.128 -9.681 3.514 1.00 71.10 H new ATOM 0 HB2 ASP A 68 10.372 -7.840 5.518 1.00 64.02 H new ATOM 0 HB3 ASP A 68 11.190 -6.872 4.307 1.00 64.02 H new ATOM 1094 N ASP A 69 13.659 -7.666 4.228 1.00 45.41 N ATOM 1095 CA ASP A 69 14.894 -7.105 3.692 1.00 14.54 C ATOM 1096 C ASP A 69 15.797 -8.205 3.143 1.00 22.43 C ATOM 1097 O ASP A 69 16.473 -8.019 2.131 1.00 53.21 O ATOM 1098 CB ASP A 69 15.631 -6.315 4.773 1.00 1.15 C ATOM 1099 CG ASP A 69 15.813 -4.855 4.403 1.00 54.42 C ATOM 1100 OD1 ASP A 69 16.192 -4.581 3.246 1.00 30.41 O1- ATOM 1101 OD2 ASP A 69 15.575 -3.989 5.270 1.00 74.02 O ATOM 0 H ASP A 69 13.456 -7.396 5.190 1.00 45.41 H new ATOM 0 HA ASP A 69 14.634 -6.432 2.875 1.00 14.54 H new ATOM 0 HB2 ASP A 69 15.077 -6.383 5.709 1.00 1.15 H new ATOM 0 HB3 ASP A 69 16.608 -6.767 4.947 1.00 1.15 H new ATOM 1106 N ILE A 70 15.803 -9.350 3.818 1.00 1.14 N ATOM 1107 CA ILE A 70 16.623 -10.479 3.397 1.00 43.35 C ATOM 1108 C ILE A 70 16.217 -10.967 2.011 1.00 31.44 C ATOM 1109 O ILE A 70 17.068 -11.252 1.168 1.00 24.31 O ATOM 1110 CB ILE A 70 16.519 -11.651 4.392 1.00 13.31 C ATOM 1111 CG1 ILE A 70 17.322 -11.346 5.658 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.007 -12.939 3.745 1.00 11.14 C ATOM 1113 CD1 ILE A 70 18.819 -11.344 5.438 1.00 73.31 C ATOM 0 H ILE A 70 15.250 -9.520 4.658 1.00 1.14 H new ATOM 0 HA ILE A 70 17.654 -10.127 3.368 1.00 43.35 H new ATOM 0 HB ILE A 70 15.473 -11.781 4.671 1.00 13.31 H new ATOM 0 HG12 ILE A 70 17.019 -10.373 6.046 1.00 2.20 H new ATOM 0 HG13 ILE A 70 17.076 -12.084 6.421 1.00 2.20 H new ATOM 0 HG21 ILE A 70 16.928 -13.758 4.460 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.396 -13.161 2.870 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.047 -12.822 3.441 1.00 11.14 H new ATOM 0 HD11 ILE A 70 19.325 -11.121 6.378 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.135 -12.324 5.080 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.077 -10.586 4.698 1.00 73.31 H new ATOM 1125 N MET A 71 14.912 -11.058 1.780 1.00 71.51 N ATOM 1126 CA MET A 71 14.392 -11.509 0.494 1.00 43.30 C ATOM 1127 C MET A 71 15.030 -10.729 -0.653 1.00 65.43 C ATOM 1128 O MET A 71 15.338 -11.291 -1.703 1.00 75.00 O ATOM 1129 CB MET A 71 12.871 -11.352 0.449 1.00 72.31 C ATOM 1130 CG MET A 71 12.119 -12.624 0.804 1.00 1.33 C ATOM 1131 SD MET A 71 11.740 -12.741 2.563 1.00 74.13 S ATOM 1132 CE MET A 71 11.813 -14.513 2.808 1.00 31.24 C ATOM 0 H MET A 71 14.194 -10.825 2.467 1.00 71.51 H new ATOM 0 HA MET A 71 14.643 -12.563 0.379 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.575 -10.560 1.137 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.576 -11.032 -0.550 1.00 72.31 H new ATOM 0 HG2 MET A 71 11.191 -12.664 0.233 1.00 1.33 H new ATOM 0 HG3 MET A 71 12.714 -13.488 0.506 1.00 1.33 H new ATOM 0 HE1 MET A 71 11.706 -14.738 3.869 1.00 31.24 H new ATOM 0 HE2 MET A 71 11.006 -14.991 2.252 1.00 31.24 H new ATOM 0 HE3 MET A 71 12.772 -14.890 2.452 1.00 31.24 H new ATOM 1142 N PHE A 72 15.223 -9.431 -0.443 1.00 41.54 N ATOM 1143 CA PHE A 72 15.821 -8.573 -1.459 1.00 22.30 C ATOM 1144 C PHE A 72 17.302 -8.897 -1.640 1.00 43.01 C ATOM 1145 O PHE A 72 17.849 -8.761 -2.734 1.00 63.32 O ATOM 1146 CB PHE A 72 15.652 -7.101 -1.080 1.00 44.00 C ATOM 1147 CG PHE A 72 16.096 -6.150 -2.153 1.00 52.50 C ATOM 1148 CD1 PHE A 72 15.395 -6.054 -3.345 1.00 2.12 C ATOM 1149 CD2 PHE A 72 17.215 -5.353 -1.972 1.00 61.23 C ATOM 1150 CE1 PHE A 72 15.801 -5.179 -4.335 1.00 51.42 C ATOM 1151 CE2 PHE A 72 17.626 -4.476 -2.958 1.00 44.43 C ATOM 1152 CZ PHE A 72 16.918 -4.390 -4.143 1.00 61.11 C ATOM 0 H PHE A 72 14.974 -8.950 0.422 1.00 41.54 H new ATOM 0 HA PHE A 72 15.308 -8.758 -2.403 1.00 22.30 H new ATOM 0 HB2 PHE A 72 14.604 -6.912 -0.849 1.00 44.00 H new ATOM 0 HB3 PHE A 72 16.219 -6.901 -0.171 1.00 44.00 H new ATOM 0 HD1 PHE A 72 14.522 -6.670 -3.502 1.00 2.12 H new ATOM 0 HD2 PHE A 72 17.773 -5.418 -1.049 1.00 61.23 H new ATOM 0 HE1 PHE A 72 15.245 -5.112 -5.258 1.00 51.42 H new ATOM 0 HE2 PHE A 72 18.499 -3.859 -2.803 1.00 44.43 H new ATOM 0 HZ PHE A 72 17.238 -3.707 -4.916 1.00 61.11 H new ATOM 1162 N ALA A 73 17.944 -9.325 -0.558 1.00 72.11 N ATOM 1163 CA ALA A 73 19.360 -9.668 -0.597 1.00 15.10 C ATOM 1164 C ALA A 73 19.578 -11.023 -1.261 1.00 3.03 C ATOM 1165 O ALA A 73 20.279 -11.124 -2.270 1.00 20.54 O ATOM 1166 CB ALA A 73 19.942 -9.669 0.810 1.00 40.23 C ATOM 0 H ALA A 73 17.506 -9.442 0.356 1.00 72.11 H new ATOM 0 HA ALA A 73 19.875 -8.913 -1.192 1.00 15.10 H new ATOM 0 HB1 ALA A 73 21.000 -9.927 0.766 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.828 -8.679 1.252 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.415 -10.402 1.421 1.00 40.23 H new ATOM 1172 N ILE A 74 18.977 -12.060 -0.691 1.00 62.02 N ATOM 1173 CA ILE A 74 19.106 -13.409 -1.229 1.00 2.11 C ATOM 1174 C ILE A 74 18.357 -13.547 -2.550 1.00 5.14 C ATOM 1175 O ILE A 74 18.882 -14.093 -3.520 1.00 43.34 O ATOM 1176 CB ILE A 74 18.577 -14.464 -0.239 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.393 -14.435 1.055 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.620 -15.848 -0.868 1.00 21.22 C ATOM 1179 CD1 ILE A 74 18.880 -15.385 2.114 1.00 30.22 C ATOM 0 H ILE A 74 18.395 -11.993 0.144 1.00 62.02 H new ATOM 0 HA ILE A 74 20.169 -13.582 -1.396 1.00 2.11 H new ATOM 0 HB ILE A 74 17.541 -14.228 0.002 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.430 -14.683 0.827 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.389 -13.421 1.455 1.00 44.31 H new ATOM 0 HG21 ILE A 74 18.243 -16.583 -0.157 1.00 21.22 H new ATOM 0 HG22 ILE A 74 18.000 -15.860 -1.764 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.648 -16.095 -1.134 1.00 21.22 H new ATOM 0 HD11 ILE A 74 19.506 -15.311 3.003 1.00 30.22 H new ATOM 0 HD12 ILE A 74 17.853 -15.124 2.370 1.00 30.22 H new ATOM 0 HD13 ILE A 74 18.910 -16.406 1.733 1.00 30.22 H new ATOM 1191 N GLY A 75 17.125 -13.047 -2.581 1.00 3.13 N ATOM 1192 CA GLY A 75 16.324 -13.123 -3.788 1.00 32.31 C ATOM 1193 C GLY A 75 17.066 -12.617 -5.010 1.00 1.25 C ATOM 1194 O GLY A 75 16.921 -13.162 -6.105 1.00 54.01 O ATOM 0 H GLY A 75 16.668 -12.591 -1.791 1.00 3.13 H new ATOM 0 HA2 GLY A 75 16.020 -14.156 -3.954 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.413 -12.540 -3.653 1.00 32.31 H new ATOM 1198 N THR A 76 17.865 -11.570 -4.824 1.00 53.52 N ATOM 1199 CA THR A 76 18.630 -10.989 -5.920 1.00 44.22 C ATOM 1200 C THR A 76 20.003 -11.641 -6.037 1.00 51.23 C ATOM 1201 O THR A 76 20.702 -11.465 -7.035 1.00 5.23 O ATOM 1202 CB THR A 76 18.809 -9.471 -5.737 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.606 -9.208 -4.576 1.00 43.24 O ATOM 1204 CG2 THR A 76 17.462 -8.779 -5.599 1.00 74.33 C ATOM 0 H THR A 76 17.999 -11.108 -3.925 1.00 53.52 H new ATOM 0 HA THR A 76 18.064 -11.173 -6.833 1.00 44.22 H new ATOM 0 HB THR A 76 19.312 -9.079 -6.621 1.00 62.11 H new ATOM 0 HG1 THR A 76 19.033 -9.197 -3.781 1.00 43.24 H new ATOM 0 HG21 THR A 76 17.615 -7.707 -5.471 1.00 74.33 H new ATOM 0 HG22 THR A 76 16.868 -8.956 -6.496 1.00 74.33 H new ATOM 0 HG23 THR A 76 16.936 -9.177 -4.731 1.00 74.33 H new ATOM 1212 N GLY A 77 20.384 -12.397 -5.011 1.00 1.41 N ATOM 1213 CA GLY A 77 21.674 -13.064 -5.021 1.00 40.44 C ATOM 1214 C GLY A 77 22.811 -12.134 -4.649 1.00 21.42 C ATOM 1215 O GLY A 77 23.950 -12.338 -5.065 1.00 72.34 O ATOM 0 H GLY A 77 19.824 -12.559 -4.174 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.652 -13.902 -4.324 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.857 -13.479 -6.012 1.00 40.44 H new ATOM 1219 N ALA A 78 22.501 -11.107 -3.863 1.00 14.03 N ATOM 1220 CA ALA A 78 23.506 -10.143 -3.435 1.00 4.53 C ATOM 1221 C ALA A 78 24.442 -10.751 -2.396 1.00 51.42 C ATOM 1222 O ALA A 78 25.650 -10.513 -2.420 1.00 12.13 O ATOM 1223 CB ALA A 78 22.837 -8.895 -2.879 1.00 15.31 C ATOM 0 H ALA A 78 21.562 -10.922 -3.510 1.00 14.03 H new ATOM 0 HA ALA A 78 24.102 -9.866 -4.305 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.600 -8.183 -2.563 1.00 15.31 H new ATOM 0 HB2 ALA A 78 22.215 -8.441 -3.650 1.00 15.31 H new ATOM 0 HB3 ALA A 78 22.216 -9.165 -2.025 1.00 15.31 H new ATOM 1229 N LEU A 79 23.878 -11.533 -1.484 1.00 34.13 N ATOM 1230 CA LEU A 79 24.662 -12.174 -0.434 1.00 54.32 C ATOM 1231 C LEU A 79 24.526 -13.693 -0.503 1.00 62.35 C ATOM 1232 O LEU A 79 23.514 -14.230 -0.953 1.00 75.14 O ATOM 1233 CB LEU A 79 24.217 -11.673 0.941 1.00 45.25 C ATOM 1234 CG LEU A 79 24.785 -10.323 1.379 1.00 22.42 C ATOM 1235 CD1 LEU A 79 23.955 -9.735 2.509 1.00 41.33 C ATOM 1236 CD2 LEU A 79 26.240 -10.468 1.803 1.00 23.31 C ATOM 0 H LEU A 79 22.880 -11.739 -1.450 1.00 34.13 H new ATOM 0 HA LEU A 79 25.709 -11.914 -0.587 1.00 54.32 H new ATOM 0 HB2 LEU A 79 23.129 -11.606 0.947 1.00 45.25 H new ATOM 0 HB3 LEU A 79 24.494 -12.420 1.685 1.00 45.25 H new ATOM 0 HG LEU A 79 24.741 -9.640 0.530 1.00 22.42 H new ATOM 0 HD11 LEU A 79 24.375 -8.774 2.807 1.00 41.33 H new ATOM 0 HD12 LEU A 79 22.929 -9.593 2.171 1.00 41.33 H new ATOM 0 HD13 LEU A 79 23.966 -10.415 3.360 1.00 41.33 H new ATOM 0 HD21 LEU A 79 26.628 -9.497 2.111 1.00 23.31 H new ATOM 0 HD22 LEU A 79 26.308 -11.167 2.636 1.00 23.31 H new ATOM 0 HD23 LEU A 79 26.827 -10.844 0.965 1.00 23.31 H new ATOM 1248 N PRO A 80 25.569 -14.401 -0.044 1.00 14.00 N ATOM 1249 CA PRO A 80 25.589 -15.867 -0.040 1.00 41.14 C ATOM 1250 C PRO A 80 24.614 -16.458 0.974 1.00 21.40 C ATOM 1251 O PRO A 80 24.613 -16.075 2.143 1.00 0.41 O ATOM 1252 CB PRO A 80 27.031 -16.202 0.346 1.00 72.45 C ATOM 1253 CG PRO A 80 27.502 -15.014 1.113 1.00 25.51 C ATOM 1254 CD PRO A 80 26.807 -13.827 0.506 1.00 63.44 C ATOM 0 HA PRO A 80 25.284 -16.281 -1.001 1.00 41.14 H new ATOM 0 HB2 PRO A 80 27.079 -17.108 0.950 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.648 -16.374 -0.536 1.00 72.45 H new ATOM 0 HG2 PRO A 80 27.257 -15.110 2.171 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.585 -14.909 1.044 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.598 -13.060 1.251 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.413 -13.360 -0.270 1.00 63.44 H new ATOM 1262 N ALA A 81 23.786 -17.392 0.518 1.00 32.45 N ATOM 1263 CA ALA A 81 22.810 -18.037 1.386 1.00 0.14 C ATOM 1264 C ALA A 81 23.498 -18.870 2.462 1.00 23.15 C ATOM 1265 O ALA A 81 22.961 -19.058 3.555 1.00 35.22 O ATOM 1266 CB ALA A 81 21.867 -18.905 0.566 1.00 1.12 C ATOM 0 H ALA A 81 23.772 -17.719 -0.448 1.00 32.45 H new ATOM 0 HA ALA A 81 22.231 -17.258 1.882 1.00 0.14 H new ATOM 0 HB1 ALA A 81 21.143 -19.381 1.227 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.342 -18.286 -0.161 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.440 -19.671 0.043 1.00 1.12 H new ATOM 1272 N LYS A 82 24.689 -19.367 2.148 1.00 52.31 N ATOM 1273 CA LYS A 82 25.451 -20.180 3.089 1.00 64.02 C ATOM 1274 C LYS A 82 25.990 -19.327 4.232 1.00 31.13 C ATOM 1275 O LYS A 82 25.720 -19.598 5.402 1.00 60.00 O ATOM 1276 CB LYS A 82 26.607 -20.878 2.370 1.00 15.40 C ATOM 1277 CG LYS A 82 26.409 -22.376 2.210 1.00 55.43 C ATOM 1278 CD LYS A 82 27.603 -23.155 2.737 1.00 25.31 C ATOM 1279 CE LYS A 82 27.442 -23.493 4.211 1.00 43.03 C ATOM 1280 NZ LYS A 82 28.585 -24.297 4.725 1.00 1.31 N1+ ATOM 0 H LYS A 82 25.148 -19.221 1.249 1.00 52.31 H new ATOM 0 HA LYS A 82 24.782 -20.933 3.506 1.00 64.02 H new ATOM 0 HB2 LYS A 82 26.734 -20.430 1.385 1.00 15.40 H new ATOM 0 HB3 LYS A 82 27.529 -20.699 2.923 1.00 15.40 H new ATOM 0 HG2 LYS A 82 25.509 -22.684 2.742 1.00 55.43 H new ATOM 0 HG3 LYS A 82 26.254 -22.613 1.157 1.00 55.43 H new ATOM 0 HD2 LYS A 82 27.721 -24.074 2.163 1.00 25.31 H new ATOM 0 HD3 LYS A 82 28.512 -22.571 2.594 1.00 25.31 H new ATOM 0 HE2 LYS A 82 27.358 -22.572 4.787 1.00 43.03 H new ATOM 0 HE3 LYS A 82 26.514 -24.046 4.357 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 28.437 -24.506 5.733 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 28.650 -25.188 4.192 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 29.468 -23.759 4.609 1.00 1.31 H new ATOM 1294 N GLU A 83 26.754 -18.295 3.885 1.00 54.33 N ATOM 1295 CA GLU A 83 27.330 -17.402 4.885 1.00 72.13 C ATOM 1296 C GLU A 83 26.236 -16.721 5.701 1.00 22.30 C ATOM 1297 O GLU A 83 26.327 -16.627 6.925 1.00 41.13 O ATOM 1298 CB GLU A 83 28.211 -16.347 4.211 1.00 33.31 C ATOM 1299 CG GLU A 83 29.631 -16.305 4.750 1.00 73.20 C ATOM 1300 CD GLU A 83 29.678 -16.086 6.250 1.00 31.14 C ATOM 1301 OE1 GLU A 83 29.448 -14.941 6.690 1.00 42.32 O1- ATOM 1302 OE2 GLU A 83 29.947 -17.061 6.983 1.00 4.11 O ATOM 0 H GLU A 83 26.988 -18.057 2.921 1.00 54.33 H new ATOM 0 HA GLU A 83 27.943 -18.000 5.560 1.00 72.13 H new ATOM 0 HB2 GLU A 83 28.244 -16.544 3.139 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.753 -15.366 4.341 1.00 33.31 H new ATOM 0 HG2 GLU A 83 30.136 -17.240 4.507 1.00 73.20 H new ATOM 0 HG3 GLU A 83 30.181 -15.507 4.252 1.00 73.20 H new ATOM 1309 N ALA A 84 25.202 -16.248 5.014 1.00 31.35 N ATOM 1310 CA ALA A 84 24.089 -15.576 5.675 1.00 33.22 C ATOM 1311 C ALA A 84 23.549 -16.414 6.829 1.00 0.53 C ATOM 1312 O ALA A 84 23.400 -15.923 7.948 1.00 54.02 O ATOM 1313 CB ALA A 84 22.982 -15.279 4.674 1.00 63.32 C ATOM 0 H ALA A 84 25.111 -16.317 4.000 1.00 31.35 H new ATOM 0 HA ALA A 84 24.457 -14.635 6.084 1.00 33.22 H new ATOM 0 HB1 ALA A 84 22.158 -14.777 5.181 1.00 63.32 H new ATOM 0 HB2 ALA A 84 23.369 -14.634 3.885 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.626 -16.212 4.238 1.00 63.32 H new ATOM 1319 N MET A 85 23.258 -17.680 6.549 1.00 15.31 N ATOM 1320 CA MET A 85 22.735 -18.586 7.566 1.00 72.33 C ATOM 1321 C MET A 85 23.844 -19.044 8.508 1.00 13.11 C ATOM 1322 O MET A 85 23.588 -19.386 9.662 1.00 65.35 O ATOM 1323 CB MET A 85 22.076 -19.799 6.907 1.00 14.13 C ATOM 1324 CG MET A 85 20.730 -19.491 6.272 1.00 2.33 C ATOM 1325 SD MET A 85 20.444 -20.429 4.759 1.00 30.31 S ATOM 1326 CE MET A 85 19.984 -19.119 3.629 1.00 34.22 C ATOM 0 H MET A 85 23.375 -18.102 5.628 1.00 15.31 H new ATOM 0 HA MET A 85 21.988 -18.047 8.148 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.746 -20.196 6.144 1.00 14.13 H new ATOM 0 HB3 MET A 85 21.945 -20.581 7.654 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.937 -19.711 6.987 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.673 -18.425 6.050 1.00 2.33 H new ATOM 0 HE1 MET A 85 19.205 -19.476 2.955 1.00 34.22 H new ATOM 0 HE2 MET A 85 19.611 -18.265 4.194 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.855 -18.817 3.048 1.00 34.22 H new ATOM 1336 N ALA A 86 25.076 -19.048 8.008 1.00 22.40 N ATOM 1337 CA ALA A 86 26.223 -19.461 8.807 1.00 24.14 C ATOM 1338 C ALA A 86 26.384 -18.575 10.037 1.00 44.20 C ATOM 1339 O ALA A 86 26.829 -19.034 11.089 1.00 35.33 O ATOM 1340 CB ALA A 86 27.490 -19.434 7.964 1.00 41.43 C ATOM 0 H ALA A 86 25.305 -18.770 7.054 1.00 22.40 H new ATOM 0 HA ALA A 86 26.048 -20.481 9.148 1.00 24.14 H new ATOM 0 HB1 ALA A 86 28.339 -19.745 8.573 1.00 41.43 H new ATOM 0 HB2 ALA A 86 27.380 -20.115 7.120 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.659 -18.423 7.594 1.00 41.43 H new ATOM 1346 N GLN A 87 26.021 -17.304 9.897 1.00 21.33 N ATOM 1347 CA GLN A 87 26.128 -16.354 10.997 1.00 11.30 C ATOM 1348 C GLN A 87 24.846 -16.333 11.825 1.00 13.12 C ATOM 1349 O GLN A 87 24.504 -15.319 12.432 1.00 34.44 O ATOM 1350 CB GLN A 87 26.424 -14.952 10.462 1.00 62.44 C ATOM 1351 CG GLN A 87 27.898 -14.711 10.176 1.00 22.40 C ATOM 1352 CD GLN A 87 28.211 -13.249 9.924 1.00 42.41 C ATOM 1353 OE1 GLN A 87 27.557 -12.359 10.468 1.00 63.45 O ATOM 1354 NE2 GLN A 87 29.216 -12.993 9.094 1.00 23.23 N ATOM 0 H GLN A 87 25.650 -16.909 9.033 1.00 21.33 H new ATOM 0 HA GLN A 87 26.950 -16.672 11.639 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.854 -14.793 9.547 1.00 62.44 H new ATOM 0 HB3 GLN A 87 26.077 -14.215 11.186 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.491 -15.066 11.019 1.00 22.40 H new ATOM 0 HG3 GLN A 87 28.197 -15.298 9.307 1.00 22.40 H new ATOM 0 HE21 GLN A 87 29.732 -13.761 8.665 1.00 23.23 H new ATOM 0 HE22 GLN A 87 29.472 -12.028 8.886 1.00 23.23 H new ATOM 1363 N ASP A 88 24.142 -17.460 11.844 1.00 74.43 N ATOM 1364 CA ASP A 88 22.899 -17.572 12.597 1.00 30.11 C ATOM 1365 C ASP A 88 21.990 -16.377 12.327 1.00 61.34 C ATOM 1366 O ASP A 88 21.180 -15.994 13.173 1.00 12.20 O ATOM 1367 CB ASP A 88 23.192 -17.678 14.095 1.00 42.33 C ATOM 1368 CG ASP A 88 22.095 -18.402 14.850 1.00 10.02 C ATOM 1369 OD1 ASP A 88 20.911 -18.223 14.494 1.00 73.51 O ATOM 1370 OD2 ASP A 88 22.420 -19.148 15.796 1.00 1.01 O1- ATOM 0 H ASP A 88 24.411 -18.309 11.346 1.00 74.43 H new ATOM 0 HA ASP A 88 22.386 -18.477 12.270 1.00 30.11 H new ATOM 0 HB2 ASP A 88 24.136 -18.202 14.241 1.00 42.33 H new ATOM 0 HB3 ASP A 88 23.315 -16.678 14.510 1.00 42.33 H new ATOM 1375 N LYS A 89 22.131 -15.789 11.145 1.00 0.12 N ATOM 1376 CA LYS A 89 21.324 -14.636 10.762 1.00 50.20 C ATOM 1377 C LYS A 89 19.996 -15.079 10.156 1.00 23.34 C ATOM 1378 O LYS A 89 19.196 -14.252 9.718 1.00 54.12 O ATOM 1379 CB LYS A 89 22.086 -13.762 9.763 1.00 12.11 C ATOM 1380 CG LYS A 89 22.286 -12.332 10.236 1.00 1.11 C ATOM 1381 CD LYS A 89 21.274 -11.390 9.607 1.00 0.51 C ATOM 1382 CE LYS A 89 21.302 -10.020 10.267 1.00 23.00 C ATOM 1383 NZ LYS A 89 22.454 -9.201 9.796 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.797 -16.092 10.434 1.00 0.12 H new ATOM 0 HA LYS A 89 21.118 -14.054 11.660 1.00 50.20 H new ATOM 0 HB2 LYS A 89 23.060 -14.211 9.569 1.00 12.11 H new ATOM 0 HB3 LYS A 89 21.546 -13.751 8.816 1.00 12.11 H new ATOM 0 HG2 LYS A 89 22.197 -12.291 11.322 1.00 1.11 H new ATOM 0 HG3 LYS A 89 23.295 -12.003 9.986 1.00 1.11 H new ATOM 0 HD2 LYS A 89 21.484 -11.287 8.543 1.00 0.51 H new ATOM 0 HD3 LYS A 89 20.275 -11.817 9.694 1.00 0.51 H new ATOM 0 HE2 LYS A 89 20.371 -9.495 10.053 1.00 23.00 H new ATOM 0 HE3 LYS A 89 21.359 -10.139 11.349 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 22.438 -8.275 10.269 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 23.343 -9.690 10.023 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 22.386 -9.066 8.767 1.00 64.21 H new ATOM 1397 N MET A 90 19.768 -16.387 10.134 1.00 61.54 N ATOM 1398 CA MET A 90 18.535 -16.940 9.583 1.00 34.14 C ATOM 1399 C MET A 90 18.229 -18.303 10.194 1.00 23.11 C ATOM 1400 O MET A 90 19.138 -19.047 10.558 1.00 52.43 O ATOM 1401 CB MET A 90 18.641 -17.061 8.062 1.00 63.10 C ATOM 1402 CG MET A 90 17.485 -16.413 7.318 1.00 53.24 C ATOM 1403 SD MET A 90 17.714 -14.639 7.088 1.00 10.12 S ATOM 1404 CE MET A 90 16.650 -13.991 8.375 1.00 55.23 C ATOM 0 H MET A 90 20.420 -17.085 10.491 1.00 61.54 H new ATOM 0 HA MET A 90 17.719 -16.261 9.830 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.575 -16.605 7.734 1.00 63.10 H new ATOM 0 HB3 MET A 90 18.690 -18.116 7.792 1.00 63.10 H new ATOM 0 HG2 MET A 90 17.372 -16.890 6.344 1.00 53.24 H new ATOM 0 HG3 MET A 90 16.560 -16.588 7.868 1.00 53.24 H new ATOM 0 HE1 MET A 90 15.762 -13.548 7.924 1.00 55.23 H new ATOM 0 HE2 MET A 90 16.353 -14.800 9.043 1.00 55.23 H new ATOM 0 HE3 MET A 90 17.187 -13.230 8.942 1.00 55.23 H new ATOM 1414 N GLU A 91 16.943 -18.622 10.303 1.00 65.45 N ATOM 1415 CA GLU A 91 16.519 -19.896 10.872 1.00 11.40 C ATOM 1416 C GLU A 91 15.732 -20.712 9.851 1.00 34.33 C ATOM 1417 O GLU A 91 14.593 -20.380 9.518 1.00 12.44 O ATOM 1418 CB GLU A 91 15.668 -19.665 12.122 1.00 33.13 C ATOM 1419 CG GLU A 91 16.330 -18.764 13.150 1.00 21.12 C ATOM 1420 CD GLU A 91 17.609 -19.355 13.707 1.00 24.32 C ATOM 1421 OE1 GLU A 91 17.521 -20.263 14.559 1.00 51.55 O ATOM 1422 OE2 GLU A 91 18.699 -18.911 13.291 1.00 0.55 O1- ATOM 0 H GLU A 91 16.178 -18.017 10.005 1.00 65.45 H new ATOM 0 HA GLU A 91 17.412 -20.456 11.149 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.715 -19.226 11.827 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.446 -20.627 12.584 1.00 33.13 H new ATOM 0 HG2 GLU A 91 16.549 -17.799 12.694 1.00 21.12 H new ATOM 0 HG3 GLU A 91 15.633 -18.579 13.968 1.00 21.12 H new ATOM 1429 N VAL A 92 16.347 -21.782 9.356 1.00 4.22 N ATOM 1430 CA VAL A 92 15.703 -22.647 8.373 1.00 10.32 C ATOM 1431 C VAL A 92 15.737 -24.104 8.818 1.00 5.13 C ATOM 1432 O VAL A 92 16.738 -24.578 9.356 1.00 24.13 O ATOM 1433 CB VAL A 92 16.379 -22.528 6.994 1.00 74.54 C ATOM 1434 CG1 VAL A 92 15.931 -21.258 6.287 1.00 44.34 C ATOM 1435 CG2 VAL A 92 17.893 -22.561 7.137 1.00 24.44 C ATOM 0 H VAL A 92 17.289 -22.071 9.619 1.00 4.22 H new ATOM 0 HA VAL A 92 14.667 -22.319 8.292 1.00 10.32 H new ATOM 0 HB VAL A 92 16.076 -23.381 6.387 1.00 74.54 H new ATOM 0 HG11 VAL A 92 16.419 -21.191 5.315 1.00 44.34 H new ATOM 0 HG12 VAL A 92 14.850 -21.280 6.150 1.00 44.34 H new ATOM 0 HG13 VAL A 92 16.203 -20.391 6.889 1.00 44.34 H new ATOM 0 HG21 VAL A 92 18.353 -22.476 6.153 1.00 24.44 H new ATOM 0 HG22 VAL A 92 18.218 -21.730 7.763 1.00 24.44 H new ATOM 0 HG23 VAL A 92 18.194 -23.501 7.598 1.00 24.44 H new ATOM 1445 N ASP A 93 14.636 -24.812 8.591 1.00 5.23 N ATOM 1446 CA ASP A 93 14.539 -26.218 8.967 1.00 71.33 C ATOM 1447 C ASP A 93 14.012 -27.056 7.806 1.00 3.43 C ATOM 1448 O ASP A 93 12.860 -26.917 7.400 1.00 70.13 O ATOM 1449 CB ASP A 93 13.626 -26.380 10.184 1.00 63.55 C ATOM 1450 CG ASP A 93 13.928 -25.368 11.272 1.00 64.33 C ATOM 1451 OD1 ASP A 93 14.950 -25.534 11.971 1.00 3.05 O ATOM 1452 OD2 ASP A 93 13.143 -24.409 11.423 1.00 61.15 O1- ATOM 0 H ASP A 93 13.798 -24.435 8.148 1.00 5.23 H new ATOM 0 HA ASP A 93 15.538 -26.570 9.222 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.587 -26.275 9.872 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.737 -27.387 10.587 1.00 63.55 H new ATOM 1457 N GLY A 94 14.867 -27.925 7.276 1.00 62.44 N ATOM 1458 CA GLY A 94 14.470 -28.772 6.165 1.00 54.13 C ATOM 1459 C GLY A 94 15.652 -29.447 5.500 1.00 34.44 C ATOM 1460 O GLY A 94 16.802 -29.090 5.754 1.00 31.24 O ATOM 0 H GLY A 94 15.827 -28.058 7.595 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.775 -29.532 6.522 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.936 -28.173 5.428 1.00 54.13 H new ATOM 1464 N GLN A 95 15.370 -30.427 4.646 1.00 20.11 N ATOM 1465 CA GLN A 95 16.421 -31.155 3.944 1.00 74.11 C ATOM 1466 C GLN A 95 17.336 -30.196 3.190 1.00 14.41 C ATOM 1467 O GLN A 95 16.893 -29.466 2.304 1.00 70.12 O ATOM 1468 CB GLN A 95 15.808 -32.165 2.972 1.00 43.12 C ATOM 1469 CG GLN A 95 16.506 -33.515 2.978 1.00 5.44 C ATOM 1470 CD GLN A 95 16.572 -34.133 4.361 1.00 62.14 C ATOM 1471 OE1 GLN A 95 15.592 -34.698 4.848 1.00 52.20 O ATOM 1472 NE2 GLN A 95 17.730 -34.029 5.002 1.00 15.42 N ATOM 0 H GLN A 95 14.423 -30.735 4.424 1.00 20.11 H new ATOM 0 HA GLN A 95 17.016 -31.689 4.685 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.757 -32.307 3.224 1.00 43.12 H new ATOM 0 HB3 GLN A 95 15.841 -31.753 1.964 1.00 43.12 H new ATOM 0 HG2 GLN A 95 15.981 -34.194 2.306 1.00 5.44 H new ATOM 0 HG3 GLN A 95 17.517 -33.398 2.588 1.00 5.44 H new ATOM 0 HE21 GLN A 95 18.516 -33.552 4.561 1.00 15.42 H new ATOM 0 HE22 GLN A 95 17.833 -34.426 5.936 1.00 15.42 H new ATOM 1481 N VAL A 96 18.616 -30.204 3.549 1.00 3.03 N ATOM 1482 CA VAL A 96 19.596 -29.336 2.905 1.00 31.30 C ATOM 1483 C VAL A 96 19.390 -29.302 1.394 1.00 11.34 C ATOM 1484 O VAL A 96 19.531 -28.255 0.763 1.00 40.02 O ATOM 1485 CB VAL A 96 21.035 -29.794 3.207 1.00 72.23 C ATOM 1486 CG1 VAL A 96 22.040 -28.867 2.540 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.270 -29.858 4.708 1.00 14.52 C ATOM 0 H VAL A 96 18.999 -30.801 4.282 1.00 3.03 H new ATOM 0 HA VAL A 96 19.449 -28.335 3.311 1.00 31.30 H new ATOM 0 HB VAL A 96 21.173 -30.795 2.799 1.00 72.23 H new ATOM 0 HG11 VAL A 96 23.052 -29.205 2.764 1.00 73.33 H new ATOM 0 HG12 VAL A 96 21.884 -28.877 1.461 1.00 73.33 H new ATOM 0 HG13 VAL A 96 21.905 -27.853 2.916 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.292 -30.183 4.903 1.00 14.52 H new ATOM 0 HG22 VAL A 96 21.114 -28.871 5.143 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.572 -30.566 5.156 1.00 14.52 H new ATOM 1497 N GLU A 97 19.057 -30.454 0.822 1.00 74.25 N ATOM 1498 CA GLU A 97 18.832 -30.555 -0.615 1.00 11.51 C ATOM 1499 C GLU A 97 17.644 -29.698 -1.042 1.00 42.00 C ATOM 1500 O GLU A 97 17.737 -28.913 -1.986 1.00 42.22 O ATOM 1501 CB GLU A 97 18.595 -32.012 -1.017 1.00 74.24 C ATOM 1502 CG GLU A 97 19.876 -32.799 -1.235 1.00 53.13 C ATOM 1503 CD GLU A 97 19.621 -34.277 -1.459 1.00 42.33 C ATOM 1504 OE1 GLU A 97 18.451 -34.649 -1.691 1.00 51.11 O ATOM 1505 OE2 GLU A 97 20.590 -35.063 -1.402 1.00 41.00 O1- ATOM 0 H GLU A 97 18.937 -31.330 1.331 1.00 74.25 H new ATOM 0 HA GLU A 97 19.724 -30.187 -1.122 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.005 -32.502 -0.243 1.00 74.24 H new ATOM 0 HB3 GLU A 97 18.004 -32.036 -1.932 1.00 74.24 H new ATOM 0 HG2 GLU A 97 20.407 -32.391 -2.095 1.00 53.13 H new ATOM 0 HG3 GLU A 97 20.527 -32.673 -0.370 1.00 53.13 H new ATOM 1512 N LEU A 98 16.528 -29.856 -0.341 1.00 4.22 N ATOM 1513 CA LEU A 98 15.318 -29.098 -0.646 1.00 45.51 C ATOM 1514 C LEU A 98 15.631 -27.613 -0.801 1.00 62.10 C ATOM 1515 O LEU A 98 15.318 -27.006 -1.825 1.00 75.13 O ATOM 1516 CB LEU A 98 14.275 -29.299 0.453 1.00 63.45 C ATOM 1517 CG LEU A 98 13.667 -30.698 0.554 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.899 -30.854 1.858 1.00 70.31 C ATOM 1519 CD2 LEU A 98 12.759 -30.972 -0.636 1.00 24.12 C ATOM 0 H LEU A 98 16.434 -30.502 0.443 1.00 4.22 H new ATOM 0 HA LEU A 98 14.916 -29.467 -1.590 1.00 45.51 H new ATOM 0 HB2 LEU A 98 14.734 -29.054 1.411 1.00 63.45 H new ATOM 0 HB3 LEU A 98 13.467 -28.584 0.295 1.00 63.45 H new ATOM 0 HG LEU A 98 14.478 -31.427 0.544 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.473 -31.856 1.912 1.00 70.31 H new ATOM 0 HD12 LEU A 98 13.575 -30.701 2.699 1.00 70.31 H new ATOM 0 HD13 LEU A 98 12.097 -30.117 1.899 1.00 70.31 H new ATOM 0 HD21 LEU A 98 12.335 -31.972 -0.547 1.00 24.12 H new ATOM 0 HD22 LEU A 98 11.954 -30.237 -0.656 1.00 24.12 H new ATOM 0 HD23 LEU A 98 13.337 -30.903 -1.558 1.00 24.12 H new ATOM 1531 N ILE A 99 16.253 -27.036 0.221 1.00 14.23 N ATOM 1532 CA ILE A 99 16.612 -25.623 0.197 1.00 35.14 C ATOM 1533 C ILE A 99 17.752 -25.362 -0.782 1.00 52.03 C ATOM 1534 O ILE A 99 17.958 -24.232 -1.224 1.00 51.23 O ATOM 1535 CB ILE A 99 17.024 -25.123 1.594 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.182 -25.961 2.138 1.00 34.25 C ATOM 1537 CG2 ILE A 99 15.837 -25.167 2.545 1.00 43.42 C ATOM 1538 CD1 ILE A 99 19.544 -25.456 1.718 1.00 52.41 C ATOM 0 H ILE A 99 16.519 -27.525 1.076 1.00 14.23 H new ATOM 0 HA ILE A 99 15.726 -25.078 -0.128 1.00 35.14 H new ATOM 0 HB ILE A 99 17.357 -24.089 1.510 1.00 70.21 H new ATOM 0 HG12 ILE A 99 18.129 -25.976 3.227 1.00 34.25 H new ATOM 0 HG13 ILE A 99 18.065 -26.990 1.799 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.145 -24.811 3.528 1.00 43.42 H new ATOM 0 HG22 ILE A 99 15.040 -24.530 2.161 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.475 -26.192 2.628 1.00 43.42 H new ATOM 0 HD11 ILE A 99 20.316 -26.099 2.140 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.617 -25.468 0.631 1.00 52.41 H new ATOM 0 HD13 ILE A 99 19.682 -24.437 2.080 1.00 52.41 H new ATOM 1550 N PHE A 100 18.489 -26.415 -1.117 1.00 71.24 N ATOM 1551 CA PHE A 100 19.609 -26.300 -2.044 1.00 72.33 C ATOM 1552 C PHE A 100 19.126 -26.364 -3.491 1.00 42.50 C ATOM 1553 O PHE A 100 19.869 -26.044 -4.419 1.00 71.51 O ATOM 1554 CB PHE A 100 20.629 -27.410 -1.785 1.00 70.10 C ATOM 1555 CG PHE A 100 21.807 -27.372 -2.716 1.00 5.21 C ATOM 1556 CD1 PHE A 100 22.804 -26.424 -2.555 1.00 64.21 C ATOM 1557 CD2 PHE A 100 21.916 -28.284 -3.754 1.00 32.30 C ATOM 1558 CE1 PHE A 100 23.888 -26.386 -3.412 1.00 44.14 C ATOM 1559 CE2 PHE A 100 22.998 -28.251 -4.613 1.00 55.43 C ATOM 1560 CZ PHE A 100 23.985 -27.302 -4.441 1.00 4.43 C ATOM 0 H PHE A 100 18.331 -27.358 -0.761 1.00 71.24 H new ATOM 0 HA PHE A 100 20.086 -25.333 -1.881 1.00 72.33 H new ATOM 0 HB2 PHE A 100 20.985 -27.332 -0.758 1.00 70.10 H new ATOM 0 HB3 PHE A 100 20.134 -28.376 -1.878 1.00 70.10 H new ATOM 0 HD1 PHE A 100 22.734 -25.706 -1.751 1.00 64.21 H new ATOM 0 HD2 PHE A 100 21.147 -29.029 -3.893 1.00 32.30 H new ATOM 0 HE1 PHE A 100 24.658 -25.641 -3.277 1.00 44.14 H new ATOM 0 HE2 PHE A 100 23.071 -28.967 -5.418 1.00 55.43 H new ATOM 0 HZ PHE A 100 24.832 -27.276 -5.110 1.00 4.43 H new ATOM 1570 N LEU A 101 17.878 -26.781 -3.673 1.00 25.32 N ATOM 1571 CA LEU A 101 17.294 -26.889 -5.005 1.00 40.32 C ATOM 1572 C LEU A 101 16.939 -25.512 -5.557 1.00 65.23 C ATOM 1573 O LEU A 101 17.091 -25.251 -6.751 1.00 62.41 O ATOM 1574 CB LEU A 101 16.047 -27.773 -4.968 1.00 25.44 C ATOM 1575 CG LEU A 101 16.186 -29.157 -5.605 1.00 23.22 C ATOM 1576 CD1 LEU A 101 16.132 -29.053 -7.121 1.00 4.34 C ATOM 1577 CD2 LEU A 101 17.480 -29.822 -5.160 1.00 22.30 C ATOM 0 H LEU A 101 17.251 -27.050 -2.915 1.00 25.32 H new ATOM 0 HA LEU A 101 18.034 -27.344 -5.663 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.748 -27.902 -3.928 1.00 25.44 H new ATOM 0 HB3 LEU A 101 15.236 -27.244 -5.469 1.00 25.44 H new ATOM 0 HG LEU A 101 15.352 -29.775 -5.273 1.00 23.22 H new ATOM 0 HD11 LEU A 101 16.232 -30.047 -7.558 1.00 4.34 H new ATOM 0 HD12 LEU A 101 15.179 -28.619 -7.422 1.00 4.34 H new ATOM 0 HD13 LEU A 101 16.946 -28.419 -7.471 1.00 4.34 H new ATOM 0 HD21 LEU A 101 17.562 -30.805 -5.623 1.00 22.30 H new ATOM 0 HD22 LEU A 101 18.328 -29.207 -5.462 1.00 22.30 H new ATOM 0 HD23 LEU A 101 17.479 -29.931 -4.075 1.00 22.30 H new ATOM 1589 N LEU A 102 16.466 -24.633 -4.679 1.00 30.55 N ATOM 1590 CA LEU A 102 16.091 -23.281 -5.078 1.00 44.41 C ATOM 1591 C LEU A 102 17.294 -22.345 -5.032 1.00 35.10 C ATOM 1592 O LEU A 102 17.196 -21.174 -5.394 1.00 24.35 O ATOM 1593 CB LEU A 102 14.982 -22.750 -4.168 1.00 74.32 C ATOM 1594 CG LEU A 102 13.551 -22.933 -4.675 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.318 -24.373 -5.105 1.00 14.34 C ATOM 1596 CD2 LEU A 102 12.549 -22.525 -3.605 1.00 31.25 C ATOM 0 H LEU A 102 16.333 -24.832 -3.688 1.00 30.55 H new ATOM 0 HA LEU A 102 15.725 -23.320 -6.104 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.068 -23.242 -3.199 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.154 -21.687 -4.002 1.00 74.32 H new ATOM 0 HG LEU A 102 13.408 -22.288 -5.542 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.295 -24.485 -5.463 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.012 -24.631 -5.905 1.00 14.34 H new ATOM 0 HD13 LEU A 102 13.480 -25.037 -4.256 1.00 14.34 H new ATOM 0 HD21 LEU A 102 11.536 -22.662 -3.984 1.00 31.25 H new ATOM 0 HD22 LEU A 102 12.692 -23.143 -2.718 1.00 31.25 H new ATOM 0 HD23 LEU A 102 12.701 -21.477 -3.345 1.00 31.25 H new ATOM 1608 N GLU A 103 18.430 -22.872 -4.584 1.00 43.15 N ATOM 1609 CA GLU A 103 19.653 -22.083 -4.492 1.00 3.21 C ATOM 1610 C GLU A 103 20.112 -21.629 -5.874 1.00 63.23 C ATOM 1611 O GLU A 103 20.357 -20.447 -6.116 1.00 12.34 O ATOM 1612 CB GLU A 103 20.760 -22.895 -3.817 1.00 45.21 C ATOM 1613 CG GLU A 103 20.951 -22.560 -2.347 1.00 43.34 C ATOM 1614 CD GLU A 103 22.163 -23.244 -1.745 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.166 -23.417 -2.468 1.00 3.05 O ATOM 1616 OE2 GLU A 103 22.108 -23.608 -0.551 1.00 12.12 O1- ATOM 0 H GLU A 103 18.528 -23.841 -4.280 1.00 43.15 H new ATOM 0 HA GLU A 103 19.441 -21.200 -3.890 1.00 3.21 H new ATOM 0 HB2 GLU A 103 20.530 -23.956 -3.912 1.00 45.21 H new ATOM 0 HB3 GLU A 103 21.698 -22.724 -4.345 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.055 -21.481 -2.235 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.060 -22.854 -1.793 1.00 43.34 H new ATOM 1623 N PRO A 104 20.233 -22.589 -6.803 1.00 1.41 N ATOM 1624 CA PRO A 104 20.664 -22.311 -8.176 1.00 73.13 C ATOM 1625 C PRO A 104 19.613 -21.541 -8.968 1.00 4.23 C ATOM 1626 O PRO A 104 19.860 -21.118 -10.098 1.00 22.01 O ATOM 1627 CB PRO A 104 20.866 -23.706 -8.773 1.00 53.34 C ATOM 1628 CG PRO A 104 19.976 -24.594 -7.973 1.00 15.34 C ATOM 1629 CD PRO A 104 19.958 -24.019 -6.584 1.00 52.44 C ATOM 0 HA PRO A 104 21.557 -21.686 -8.205 1.00 73.13 H new ATOM 0 HB2 PRO A 104 20.599 -23.727 -9.830 1.00 53.34 H new ATOM 0 HB3 PRO A 104 21.907 -24.020 -8.701 1.00 53.34 H new ATOM 0 HG2 PRO A 104 18.972 -24.624 -8.396 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.350 -25.618 -7.967 1.00 15.34 H new ATOM 0 HD2 PRO A 104 18.995 -24.173 -6.098 1.00 52.44 H new ATOM 0 HD3 PRO A 104 20.713 -24.481 -5.948 1.00 52.44 H new ATOM 1637 N PHE A 105 18.441 -21.360 -8.369 1.00 2.15 N ATOM 1638 CA PHE A 105 17.352 -20.640 -9.020 1.00 32.10 C ATOM 1639 C PHE A 105 17.368 -19.165 -8.631 1.00 31.15 C ATOM 1640 O PHE A 105 16.749 -18.331 -9.293 1.00 64.30 O ATOM 1641 CB PHE A 105 16.006 -21.263 -8.646 1.00 54.33 C ATOM 1642 CG PHE A 105 15.769 -22.603 -9.282 1.00 41.41 C ATOM 1643 CD1 PHE A 105 16.578 -23.685 -8.974 1.00 74.43 C ATOM 1644 CD2 PHE A 105 14.736 -22.781 -10.189 1.00 1.41 C ATOM 1645 CE1 PHE A 105 16.363 -24.919 -9.557 1.00 11.53 C ATOM 1646 CE2 PHE A 105 14.516 -24.013 -10.775 1.00 3.32 C ATOM 1647 CZ PHE A 105 15.331 -25.083 -10.460 1.00 12.30 C ATOM 0 H PHE A 105 18.221 -21.702 -7.434 1.00 2.15 H new ATOM 0 HA PHE A 105 17.492 -20.715 -10.098 1.00 32.10 H new ATOM 0 HB2 PHE A 105 15.952 -21.369 -7.563 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.206 -20.584 -8.940 1.00 54.33 H new ATOM 0 HD1 PHE A 105 17.387 -23.562 -8.269 1.00 74.43 H new ATOM 0 HD2 PHE A 105 14.096 -21.948 -10.440 1.00 1.41 H new ATOM 0 HE1 PHE A 105 17.001 -25.754 -9.307 1.00 11.53 H new ATOM 0 HE2 PHE A 105 13.707 -24.139 -11.479 1.00 3.32 H new ATOM 0 HZ PHE A 105 15.161 -26.046 -10.919 1.00 12.30 H new ATOM 1657 N ILE A 106 18.078 -18.850 -7.552 1.00 24.22 N ATOM 1658 CA ILE A 106 18.175 -17.476 -7.076 1.00 75.54 C ATOM 1659 C ILE A 106 18.698 -16.550 -8.169 1.00 2.34 C ATOM 1660 O ILE A 106 18.211 -15.433 -8.336 1.00 3.54 O ATOM 1661 CB ILE A 106 19.094 -17.370 -5.845 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.382 -17.910 -4.602 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.527 -15.928 -5.630 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.309 -18.602 -3.628 1.00 25.24 C ATOM 0 H ILE A 106 18.594 -19.528 -6.991 1.00 24.22 H new ATOM 0 HA ILE A 106 17.168 -17.168 -6.795 1.00 75.54 H new ATOM 0 HB ILE A 106 19.985 -17.973 -6.021 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.882 -17.086 -4.093 1.00 1.44 H new ATOM 0 HG13 ILE A 106 17.606 -18.610 -4.913 1.00 1.44 H new ATOM 0 HG21 ILE A 106 20.176 -15.869 -4.756 1.00 24.41 H new ATOM 0 HG22 ILE A 106 20.068 -15.576 -6.508 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.648 -15.304 -5.471 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.737 -18.959 -2.772 1.00 25.24 H new ATOM 0 HD12 ILE A 106 19.790 -19.447 -4.121 1.00 25.24 H new ATOM 0 HD13 ILE A 106 20.070 -17.899 -3.288 1.00 25.24 H new ATOM 1676 N ALA A 107 19.695 -17.025 -8.910 1.00 3.35 N ATOM 1677 CA ALA A 107 20.283 -16.241 -9.989 1.00 34.20 C ATOM 1678 C ALA A 107 19.251 -15.930 -11.068 1.00 53.41 C ATOM 1679 O ALA A 107 19.183 -14.808 -11.571 1.00 32.33 O ATOM 1680 CB ALA A 107 21.470 -16.978 -10.590 1.00 64.22 C ATOM 0 H ALA A 107 20.111 -17.947 -8.783 1.00 3.35 H new ATOM 0 HA ALA A 107 20.629 -15.296 -9.571 1.00 34.20 H new ATOM 0 HB1 ALA A 107 21.899 -16.381 -11.395 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.223 -17.144 -9.820 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.139 -17.938 -10.987 1.00 64.22 H new ATOM 1686 N SER A 108 18.448 -16.931 -11.419 1.00 21.15 N ATOM 1687 CA SER A 108 17.423 -16.765 -12.442 1.00 44.42 C ATOM 1688 C SER A 108 16.555 -15.544 -12.148 1.00 32.13 C ATOM 1689 O SER A 108 15.968 -14.953 -13.055 1.00 64.31 O ATOM 1690 CB SER A 108 16.548 -18.018 -12.525 1.00 55.01 C ATOM 1691 OG SER A 108 17.219 -19.064 -13.205 1.00 5.42 O ATOM 0 H SER A 108 18.488 -17.864 -11.010 1.00 21.15 H new ATOM 0 HA SER A 108 17.921 -16.614 -13.400 1.00 44.42 H new ATOM 0 HB2 SER A 108 16.281 -18.346 -11.520 1.00 55.01 H new ATOM 0 HB3 SER A 108 15.618 -17.782 -13.042 1.00 55.01 H new ATOM 0 HG SER A 108 17.311 -19.836 -12.608 1.00 5.42 H new