USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 735 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 THR OG1 : rot -31:sc= 0.224 USER MOD Single : A 14 GLN : amide:sc= -9.13! C(o=-9.1!,f=-11!) USER MOD Single : A 19 HIS : no HD1:sc=-0.00158 X(o=-0.0016,f=-0.28) USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.04) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.126 F(o=-1.7!,f=-0.13) USER MOD Single : A 26 ASN : amide:sc= 1.04 K(o=1,f=-0.3) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.098) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 76:sc= 0.0215 USER MOD Single : A 72 GLN :FLIP amide:sc= -1.34 F(o=-5!,f=-1.3) USER MOD Single : A 76 LYS NZ :NH3+ -107:sc= 0.403 (180deg=0) USER MOD Single : A 78 MET CE :methyl 164:sc= -6.22! (180deg=-6.87!) USER MOD Single : A 79 GLN : amide:sc= 0.98 K(o=0.98,f=-4.7!) USER MOD Single : A 81 ASN : amide:sc= -0.679 K(o=-0.68,f=-5.5!) USER MOD Single : A 85 MET CE :methyl -169:sc= -6.2! (180deg=-6.94!) USER MOD Single : A 86 THR OG1 : rot -87:sc= 0.721 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.575 USER MOD Single : A 90 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-3.8!) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.146 F(o=-3.8!,f=-0.15) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 99 LYS NZ :NH3+ -177:sc= 1.12 (180deg=1.03) USER MOD Single : A 101 SER OG : rot 180:sc= -0.16 USER MOD Single : A 110 THR OG1 : rot -103:sc= 1.2 USER MOD Single : A 112 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.36) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -16.695 4.203 3.939 1.00 1.00 N ATOM 140 CA THR A 10 -16.404 3.179 4.894 1.00 1.07 C ATOM 141 C THR A 10 -15.534 2.094 4.299 1.00 0.92 C ATOM 142 O THR A 10 -16.007 1.063 3.817 1.00 0.99 O ATOM 143 CB THR A 10 -17.699 2.593 5.453 1.00 1.30 C ATOM 144 OG1 THR A 10 -18.583 2.238 4.381 1.00 2.09 O ATOM 145 CG2 THR A 10 -18.373 3.600 6.364 1.00 1.90 C ATOM 0 HA THR A 10 -15.844 3.632 5.712 1.00 1.07 H new ATOM 0 HB THR A 10 -17.460 1.697 6.027 1.00 1.30 H new ATOM 0 HG1 THR A 10 -18.441 2.846 3.625 1.00 2.09 H new ATOM 0 HG21 THR A 10 -19.296 3.174 6.758 1.00 1.90 H new ATOM 0 HG22 THR A 10 -17.706 3.847 7.190 1.00 1.90 H new ATOM 0 HG23 THR A 10 -18.603 4.504 5.800 1.00 1.90 H new ATOM 153 N ALA A 11 -14.258 2.386 4.301 1.00 0.83 N ATOM 154 CA ALA A 11 -13.239 1.442 3.918 1.00 0.74 C ATOM 155 C ALA A 11 -12.621 0.837 5.164 1.00 0.77 C ATOM 156 O ALA A 11 -12.962 1.222 6.281 1.00 0.96 O ATOM 157 CB ALA A 11 -12.188 2.142 3.076 1.00 0.70 C ATOM 0 H ALA A 11 -13.893 3.299 4.572 1.00 0.83 H new ATOM 0 HA ALA A 11 -13.678 0.641 3.323 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -11.418 1.427 2.787 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -12.654 2.555 2.181 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -11.736 2.948 3.654 1.00 0.70 H new ATOM 163 N VAL A 12 -11.709 -0.093 4.982 1.00 0.65 N ATOM 164 CA VAL A 12 -11.095 -0.774 6.111 1.00 0.72 C ATOM 165 C VAL A 12 -9.578 -0.634 6.076 1.00 0.54 C ATOM 166 O VAL A 12 -8.936 -0.901 5.061 1.00 0.54 O ATOM 167 CB VAL A 12 -11.487 -2.272 6.168 1.00 0.89 C ATOM 168 CG1 VAL A 12 -12.955 -2.432 6.538 1.00 1.57 C ATOM 169 CG2 VAL A 12 -11.199 -2.972 4.848 1.00 1.38 C ATOM 0 H VAL A 12 -11.374 -0.397 4.068 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.474 -0.293 7.013 1.00 0.72 H new ATOM 0 HB VAL A 12 -10.877 -2.741 6.940 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -13.208 -3.492 6.572 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -13.135 -1.984 7.515 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -13.575 -1.935 5.792 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -11.486 -4.021 4.922 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -11.770 -2.495 4.051 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -10.135 -2.902 4.623 1.00 1.38 H new ATOM 179 N VAL A 13 -9.007 -0.188 7.180 1.00 0.52 N ATOM 180 CA VAL A 13 -7.568 -0.023 7.272 1.00 0.44 C ATOM 181 C VAL A 13 -6.924 -1.348 7.630 1.00 0.41 C ATOM 182 O VAL A 13 -7.100 -1.858 8.738 1.00 0.50 O ATOM 183 CB VAL A 13 -7.184 1.035 8.316 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.707 1.375 8.226 1.00 0.90 C ATOM 185 CG2 VAL A 13 -8.035 2.278 8.145 1.00 1.02 C ATOM 0 H VAL A 13 -9.518 0.066 8.025 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.208 0.317 6.301 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.372 0.622 9.307 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.460 2.127 8.976 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -5.115 0.477 8.404 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -5.483 1.766 7.233 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -7.751 3.019 8.892 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -7.880 2.690 7.148 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -9.086 2.019 8.272 1.00 1.02 H new ATOM 195 N GLN A 14 -6.200 -1.903 6.680 1.00 0.37 N ATOM 196 CA GLN A 14 -5.622 -3.238 6.837 1.00 0.40 C ATOM 197 C GLN A 14 -4.089 -3.218 6.850 1.00 0.32 C ATOM 198 O GLN A 14 -3.458 -2.206 6.539 1.00 0.41 O ATOM 199 CB GLN A 14 -6.133 -4.152 5.728 1.00 0.51 C ATOM 200 CG GLN A 14 -5.697 -3.745 4.355 1.00 0.53 C ATOM 201 CD GLN A 14 -4.697 -4.706 3.771 1.00 0.64 C ATOM 202 OE1 GLN A 14 -5.058 -5.673 3.108 1.00 1.39 O ATOM 203 NE2 GLN A 14 -3.432 -4.449 4.028 1.00 0.55 N ATOM 0 H GLN A 14 -5.993 -1.456 5.787 1.00 0.37 H new ATOM 0 HA GLN A 14 -5.939 -3.621 7.807 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -5.789 -5.168 5.921 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.222 -4.173 5.761 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.567 -3.686 3.701 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.260 -2.747 4.395 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -3.180 -3.632 4.584 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -2.703 -5.067 3.671 1.00 0.55 H new ATOM 212 N ARG A 15 -3.501 -4.363 7.186 1.00 0.32 N ATOM 213 CA ARG A 15 -2.061 -4.497 7.336 1.00 0.39 C ATOM 214 C ARG A 15 -1.529 -5.605 6.431 1.00 0.33 C ATOM 215 O ARG A 15 -1.849 -6.777 6.622 1.00 0.55 O ATOM 216 CB ARG A 15 -1.723 -4.829 8.791 1.00 0.70 C ATOM 217 CG ARG A 15 -1.182 -3.661 9.599 1.00 0.75 C ATOM 218 CD ARG A 15 0.194 -3.252 9.111 1.00 1.44 C ATOM 219 NE ARG A 15 0.867 -2.343 10.040 1.00 2.26 N ATOM 220 CZ ARG A 15 1.806 -2.729 10.911 1.00 2.85 C ATOM 221 NH1 ARG A 15 2.159 -4.009 10.979 1.00 2.98 N ATOM 222 NH2 ARG A 15 2.381 -1.836 11.709 1.00 3.63 N ATOM 0 H ARG A 15 -4.015 -5.226 7.362 1.00 0.32 H new ATOM 0 HA ARG A 15 -1.594 -3.553 7.053 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -2.620 -5.208 9.281 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -0.988 -5.634 8.805 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -1.865 -2.815 9.523 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -1.131 -3.936 10.653 1.00 0.75 H new ATOM 0 HD2 ARG A 15 0.806 -4.143 8.970 1.00 1.44 H new ATOM 0 HD3 ARG A 15 0.103 -2.771 8.137 1.00 1.44 H new ATOM 0 HE ARG A 15 0.605 -1.357 10.022 1.00 2.26 H new ATOM 0 HH11 ARG A 15 1.714 -4.694 10.368 1.00 2.98 H new ATOM 0 HH12 ARG A 15 2.875 -4.306 11.642 1.00 2.98 H new ATOM 0 HH21 ARG A 15 2.107 -0.855 11.658 1.00 3.63 H new ATOM 0 HH22 ARG A 15 3.097 -2.131 12.373 1.00 3.63 H new ATOM 236 N VAL A 16 -0.731 -5.236 5.447 1.00 0.25 N ATOM 237 CA VAL A 16 -0.071 -6.206 4.604 1.00 0.30 C ATOM 238 C VAL A 16 1.361 -6.382 5.077 1.00 0.26 C ATOM 239 O VAL A 16 2.179 -5.474 4.979 1.00 0.40 O ATOM 240 CB VAL A 16 -0.114 -5.797 3.106 1.00 0.51 C ATOM 241 CG1 VAL A 16 0.992 -6.461 2.301 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.450 -6.172 2.502 1.00 0.64 C ATOM 0 H VAL A 16 -0.525 -4.265 5.214 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.602 -7.154 4.684 1.00 0.30 H new ATOM 0 HB VAL A 16 0.032 -4.718 3.065 1.00 0.51 H new ATOM 0 HG11 VAL A 16 0.923 -6.146 1.260 1.00 1.02 H new ATOM 0 HG12 VAL A 16 1.961 -6.169 2.705 1.00 1.02 H new ATOM 0 HG13 VAL A 16 0.885 -7.544 2.360 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -1.469 -5.881 1.452 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.596 -7.249 2.583 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -2.248 -5.657 3.036 1.00 0.64 H new ATOM 252 N GLU A 17 1.641 -7.533 5.643 1.00 0.22 N ATOM 253 CA GLU A 17 2.980 -7.850 6.091 1.00 0.25 C ATOM 254 C GLU A 17 3.445 -9.126 5.419 1.00 0.24 C ATOM 255 O GLU A 17 2.834 -10.182 5.593 1.00 0.28 O ATOM 256 CB GLU A 17 3.031 -8.001 7.619 1.00 0.33 C ATOM 257 CG GLU A 17 4.390 -8.463 8.131 1.00 0.44 C ATOM 258 CD GLU A 17 4.478 -8.550 9.645 1.00 0.75 C ATOM 259 OE1 GLU A 17 4.778 -7.521 10.295 1.00 1.31 O ATOM 260 OE2 GLU A 17 4.263 -9.653 10.194 1.00 1.35 O ATOM 0 H GLU A 17 0.955 -8.271 5.805 1.00 0.22 H new ATOM 0 HA GLU A 17 3.645 -7.031 5.817 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.782 -7.046 8.081 1.00 0.33 H new ATOM 0 HB3 GLU A 17 2.270 -8.715 7.933 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.614 -9.442 7.707 1.00 0.44 H new ATOM 0 HG3 GLU A 17 5.156 -7.776 7.771 1.00 0.44 H new ATOM 267 N ILE A 18 4.510 -9.033 4.638 1.00 0.24 N ATOM 268 CA ILE A 18 5.007 -10.178 3.934 1.00 0.24 C ATOM 269 C ILE A 18 6.513 -10.181 4.019 1.00 0.27 C ATOM 270 O ILE A 18 7.137 -9.125 4.060 1.00 0.33 O ATOM 271 CB ILE A 18 4.545 -10.181 2.459 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.785 -11.554 1.838 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.233 -9.085 1.648 1.00 0.27 C ATOM 274 CD1 ILE A 18 3.903 -12.626 2.434 1.00 0.61 C ATOM 0 H ILE A 18 5.037 -8.174 4.484 1.00 0.24 H new ATOM 0 HA ILE A 18 4.607 -11.081 4.396 1.00 0.24 H new ATOM 0 HB ILE A 18 3.476 -9.969 2.440 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.607 -11.499 0.764 1.00 0.34 H new ATOM 0 HG13 ILE A 18 5.830 -11.832 1.974 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.881 -9.120 0.617 1.00 0.27 H new ATOM 0 HG22 ILE A 18 4.998 -8.112 2.078 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.312 -9.240 1.669 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.117 -13.581 1.955 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.098 -12.705 3.503 1.00 0.61 H new ATOM 0 HD13 ILE A 18 2.856 -12.366 2.275 1.00 0.61 H new ATOM 286 N HIS A 19 7.106 -11.347 4.087 1.00 0.30 N ATOM 287 CA HIS A 19 8.542 -11.420 4.182 1.00 0.33 C ATOM 288 C HIS A 19 9.154 -11.141 2.825 1.00 0.35 C ATOM 289 O HIS A 19 8.863 -11.848 1.863 1.00 0.40 O ATOM 290 CB HIS A 19 8.993 -12.768 4.747 1.00 0.39 C ATOM 291 CG HIS A 19 8.842 -12.849 6.236 1.00 0.44 C ATOM 292 ND1 HIS A 19 9.875 -13.178 7.082 1.00 0.54 N ATOM 293 CD2 HIS A 19 7.773 -12.603 7.030 1.00 0.46 C ATOM 294 CE1 HIS A 19 9.450 -13.129 8.332 1.00 0.60 C ATOM 295 NE2 HIS A 19 8.178 -12.783 8.329 1.00 0.56 N ATOM 0 H HIS A 19 6.625 -12.246 4.079 1.00 0.30 H new ATOM 0 HA HIS A 19 8.892 -10.659 4.879 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.412 -13.565 4.283 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.036 -12.938 4.482 1.00 0.39 H new ATOM 0 HD2 HIS A 19 6.784 -12.318 6.702 1.00 0.46 H new ATOM 0 HE1 HIS A 19 10.045 -13.337 9.209 1.00 0.60 H new ATOM 0 HE2 HIS A 19 7.592 -12.668 9.156 1.00 0.56 H new ATOM 304 N LYS A 20 9.917 -10.038 2.768 1.00 0.34 N ATOM 305 CA LYS A 20 10.675 -9.610 1.576 1.00 0.36 C ATOM 306 C LYS A 20 10.986 -10.784 0.628 1.00 0.36 C ATOM 307 O LYS A 20 11.419 -11.854 1.066 1.00 0.42 O ATOM 308 CB LYS A 20 11.976 -8.874 2.020 1.00 0.40 C ATOM 309 CG LYS A 20 12.956 -9.689 2.873 1.00 1.42 C ATOM 310 CD LYS A 20 13.776 -10.695 2.070 1.00 2.33 C ATOM 311 CE LYS A 20 15.194 -10.213 1.796 1.00 3.13 C ATOM 312 NZ LYS A 20 16.056 -10.260 3.011 1.00 4.00 N ATOM 0 H LYS A 20 10.028 -9.406 3.561 1.00 0.34 H new ATOM 0 HA LYS A 20 10.052 -8.919 1.008 1.00 0.36 H new ATOM 0 HB2 LYS A 20 12.500 -8.534 1.126 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.692 -7.984 2.581 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.634 -9.006 3.384 1.00 1.42 H new ATOM 0 HG3 LYS A 20 12.398 -10.221 3.644 1.00 1.42 H new ATOM 0 HD2 LYS A 20 13.816 -11.640 2.612 1.00 2.33 H new ATOM 0 HD3 LYS A 20 13.274 -10.892 1.123 1.00 2.33 H new ATOM 0 HE2 LYS A 20 15.639 -10.829 1.014 1.00 3.13 H new ATOM 0 HE3 LYS A 20 15.161 -9.192 1.417 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 17.027 -9.987 2.758 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 15.686 -9.601 3.725 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 16.057 -11.225 3.399 1.00 4.00 H new ATOM 326 N LEU A 21 10.768 -10.603 -0.671 1.00 0.33 N ATOM 327 CA LEU A 21 10.951 -11.718 -1.595 1.00 0.37 C ATOM 328 C LEU A 21 12.332 -11.668 -2.215 1.00 0.41 C ATOM 329 O LEU A 21 12.554 -11.064 -3.258 1.00 0.45 O ATOM 330 CB LEU A 21 9.864 -11.728 -2.675 1.00 0.38 C ATOM 331 CG LEU A 21 9.903 -12.927 -3.626 1.00 0.45 C ATOM 332 CD1 LEU A 21 9.753 -14.225 -2.851 1.00 0.55 C ATOM 333 CD2 LEU A 21 8.819 -12.811 -4.685 1.00 0.48 C ATOM 0 H LEU A 21 10.474 -9.725 -1.098 1.00 0.33 H new ATOM 0 HA LEU A 21 10.861 -12.646 -1.030 1.00 0.37 H new ATOM 0 HB2 LEU A 21 8.889 -11.702 -2.188 1.00 0.38 H new ATOM 0 HB3 LEU A 21 9.950 -10.815 -3.263 1.00 0.38 H new ATOM 0 HG LEU A 21 10.870 -12.933 -4.128 1.00 0.45 H new ATOM 0 HD11 LEU A 21 9.783 -15.067 -3.542 1.00 0.55 H new ATOM 0 HD12 LEU A 21 10.568 -14.316 -2.133 1.00 0.55 H new ATOM 0 HD13 LEU A 21 8.801 -14.224 -2.321 1.00 0.55 H new ATOM 0 HD21 LEU A 21 8.866 -13.674 -5.349 1.00 0.48 H new ATOM 0 HD22 LEU A 21 7.842 -12.777 -4.203 1.00 0.48 H new ATOM 0 HD23 LEU A 21 8.971 -11.899 -5.263 1.00 0.48 H new ATOM 345 N ARG A 22 13.259 -12.306 -1.534 1.00 0.51 N ATOM 346 CA ARG A 22 14.659 -12.261 -1.902 1.00 0.61 C ATOM 347 C ARG A 22 14.899 -12.888 -3.272 1.00 0.60 C ATOM 348 O ARG A 22 14.338 -13.929 -3.613 1.00 0.66 O ATOM 349 CB ARG A 22 15.521 -12.955 -0.841 1.00 0.88 C ATOM 350 CG ARG A 22 15.422 -14.472 -0.845 1.00 1.19 C ATOM 351 CD ARG A 22 14.081 -14.979 -0.347 1.00 1.94 C ATOM 352 NE ARG A 22 14.016 -16.437 -0.405 1.00 2.47 N ATOM 353 CZ ARG A 22 13.145 -17.182 0.270 1.00 3.28 C ATOM 354 NH1 ARG A 22 12.268 -16.615 1.088 1.00 3.78 N ATOM 355 NH2 ARG A 22 13.156 -18.501 0.127 1.00 3.97 N ATOM 0 H ARG A 22 13.064 -12.872 -0.708 1.00 0.51 H new ATOM 0 HA ARG A 22 14.949 -11.212 -1.959 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.562 -12.671 -0.994 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.231 -12.587 0.143 1.00 0.88 H new ATOM 0 HG2 ARG A 22 15.590 -14.839 -1.857 1.00 1.19 H new ATOM 0 HG3 ARG A 22 16.215 -14.884 -0.221 1.00 1.19 H new ATOM 0 HD2 ARG A 22 13.920 -14.645 0.678 1.00 1.94 H new ATOM 0 HD3 ARG A 22 13.280 -14.552 -0.951 1.00 1.94 H new ATOM 0 HE ARG A 22 14.686 -16.918 -1.005 1.00 2.47 H new ATOM 0 HH11 ARG A 22 12.259 -15.601 1.203 1.00 3.78 H new ATOM 0 HH12 ARG A 22 11.603 -17.193 1.602 1.00 3.78 H new ATOM 0 HH21 ARG A 22 13.831 -18.941 -0.499 1.00 3.97 H new ATOM 0 HH22 ARG A 22 12.490 -19.075 0.643 1.00 3.97 H new ATOM 369 N GLN A 23 15.718 -12.218 -4.054 1.00 0.68 N ATOM 370 CA GLN A 23 16.126 -12.704 -5.349 1.00 0.81 C ATOM 371 C GLN A 23 17.629 -12.550 -5.467 1.00 0.93 C ATOM 372 O GLN A 23 18.106 -11.480 -5.833 1.00 1.02 O ATOM 373 CB GLN A 23 15.460 -11.879 -6.441 1.00 0.90 C ATOM 374 CG GLN A 23 15.269 -12.631 -7.737 1.00 1.04 C ATOM 375 CD GLN A 23 14.137 -13.645 -7.671 1.00 0.92 C ATOM 376 OE1 GLN A 23 13.137 -13.373 -6.841 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 14.162 -14.669 -8.355 1.00 0.69 N flip ATOM 0 H GLN A 23 16.121 -11.315 -3.805 1.00 0.68 H new ATOM 0 HA GLN A 23 15.837 -13.749 -5.458 1.00 0.81 H new ATOM 0 HB2 GLN A 23 14.489 -11.535 -6.084 1.00 0.90 H new ATOM 0 HB3 GLN A 23 16.062 -10.991 -6.632 1.00 0.90 H new ATOM 0 HG2 GLN A 23 15.067 -11.920 -8.538 1.00 1.04 H new ATOM 0 HG3 GLN A 23 16.196 -13.144 -7.993 1.00 1.04 H new ATOM 0 HE21 GLN A 23 14.947 -14.844 -8.982 1.00 0.69 H new ATOM 0 HE22 GLN A 23 13.397 -15.341 -8.295 1.00 0.69 H new ATOM 386 N GLY A 24 18.371 -13.597 -5.150 1.00 1.03 N ATOM 387 CA GLY A 24 19.810 -13.487 -5.109 1.00 1.19 C ATOM 388 C GLY A 24 20.263 -12.600 -3.972 1.00 1.23 C ATOM 389 O GLY A 24 20.618 -13.086 -2.898 1.00 1.33 O ATOM 0 H GLY A 24 18.002 -14.520 -4.921 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.249 -14.478 -4.996 1.00 1.19 H new ATOM 0 HA3 GLY A 24 20.173 -13.083 -6.054 1.00 1.19 H new ATOM 393 N GLU A 25 20.231 -11.298 -4.204 1.00 1.27 N ATOM 394 CA GLU A 25 20.586 -10.325 -3.181 1.00 1.43 C ATOM 395 C GLU A 25 19.506 -9.265 -3.053 1.00 1.40 C ATOM 396 O GLU A 25 19.552 -8.415 -2.168 1.00 1.61 O ATOM 397 CB GLU A 25 21.906 -9.651 -3.525 1.00 1.67 C ATOM 398 CG GLU A 25 23.040 -10.625 -3.763 1.00 1.84 C ATOM 399 CD GLU A 25 24.259 -9.936 -4.334 1.00 2.03 C ATOM 400 OE1 GLU A 25 25.082 -9.422 -3.548 1.00 2.33 O ATOM 401 OE2 GLU A 25 24.391 -9.899 -5.575 1.00 2.21 O ATOM 0 H GLU A 25 19.961 -10.887 -5.098 1.00 1.27 H new ATOM 0 HA GLU A 25 20.684 -10.855 -2.234 1.00 1.43 H new ATOM 0 HB2 GLU A 25 21.770 -9.039 -4.417 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.182 -8.976 -2.715 1.00 1.67 H new ATOM 0 HG2 GLU A 25 23.304 -11.113 -2.825 1.00 1.84 H new ATOM 0 HG3 GLU A 25 22.710 -11.407 -4.447 1.00 1.84 H new ATOM 408 N ASN A 26 18.530 -9.331 -3.941 1.00 1.21 N ATOM 409 CA ASN A 26 17.490 -8.314 -4.009 1.00 1.23 C ATOM 410 C ASN A 26 16.295 -8.745 -3.190 1.00 1.05 C ATOM 411 O ASN A 26 16.224 -9.887 -2.741 1.00 1.06 O ATOM 412 CB ASN A 26 17.048 -8.094 -5.460 1.00 1.31 C ATOM 413 CG ASN A 26 18.217 -8.003 -6.412 1.00 1.39 C ATOM 414 OD1 ASN A 26 18.734 -6.924 -6.688 1.00 1.87 O ATOM 415 ND2 ASN A 26 18.640 -9.149 -6.917 1.00 1.33 N ATOM 0 H ASN A 26 18.434 -10.079 -4.628 1.00 1.21 H new ATOM 0 HA ASN A 26 17.894 -7.383 -3.612 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.397 -8.913 -5.766 1.00 1.31 H new ATOM 0 HB3 ASN A 26 16.460 -7.178 -5.523 1.00 1.31 H new ATOM 0 HD21 ASN A 26 19.427 -9.161 -7.565 1.00 1.33 H new ATOM 0 HD22 ASN A 26 18.179 -10.021 -6.658 1.00 1.33 H new ATOM 422 N LEU A 27 15.360 -7.838 -2.991 1.00 0.95 N ATOM 423 CA LEU A 27 14.100 -8.187 -2.386 1.00 0.82 C ATOM 424 C LEU A 27 12.996 -7.665 -3.286 1.00 0.71 C ATOM 425 O LEU A 27 12.994 -6.499 -3.677 1.00 0.81 O ATOM 426 CB LEU A 27 13.974 -7.647 -0.947 1.00 0.93 C ATOM 427 CG LEU A 27 13.566 -6.181 -0.795 1.00 1.28 C ATOM 428 CD1 LEU A 27 13.341 -5.847 0.670 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.615 -5.252 -1.391 1.00 1.62 C ATOM 0 H LEU A 27 15.453 -6.854 -3.241 1.00 0.95 H new ATOM 0 HA LEU A 27 14.025 -9.270 -2.293 1.00 0.82 H new ATOM 0 HB2 LEU A 27 13.245 -8.260 -0.417 1.00 0.93 H new ATOM 0 HB3 LEU A 27 14.932 -7.787 -0.446 1.00 0.93 H new ATOM 0 HG LEU A 27 12.634 -6.033 -1.341 1.00 1.28 H new ATOM 0 HD11 LEU A 27 13.051 -4.800 0.764 1.00 2.28 H new ATOM 0 HD12 LEU A 27 12.549 -6.480 1.070 1.00 2.28 H new ATOM 0 HD13 LEU A 27 14.261 -6.020 1.228 1.00 2.28 H new ATOM 0 HD21 LEU A 27 14.297 -4.217 -1.268 1.00 1.62 H new ATOM 0 HD22 LEU A 27 15.566 -5.402 -0.881 1.00 1.62 H new ATOM 0 HD23 LEU A 27 14.734 -5.471 -2.452 1.00 1.62 H new ATOM 441 N ILE A 28 12.094 -8.532 -3.658 1.00 0.57 N ATOM 442 CA ILE A 28 11.044 -8.164 -4.571 1.00 0.52 C ATOM 443 C ILE A 28 9.790 -7.825 -3.788 1.00 0.44 C ATOM 444 O ILE A 28 9.458 -8.486 -2.797 1.00 0.43 O ATOM 445 CB ILE A 28 10.790 -9.282 -5.624 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.631 -9.029 -6.884 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.315 -9.388 -5.996 1.00 0.47 C ATOM 448 CD1 ILE A 28 13.109 -8.825 -6.618 1.00 0.80 C ATOM 0 H ILE A 28 12.064 -9.501 -3.342 1.00 0.57 H new ATOM 0 HA ILE A 28 11.351 -7.280 -5.130 1.00 0.52 H new ATOM 0 HB ILE A 28 11.088 -10.228 -5.173 1.00 0.53 H new ATOM 0 HG12 ILE A 28 11.509 -9.873 -7.563 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.241 -8.149 -7.396 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.182 -10.180 -6.733 1.00 0.47 H new ATOM 0 HG22 ILE A 28 8.731 -9.619 -5.105 1.00 0.47 H new ATOM 0 HG23 ILE A 28 8.977 -8.441 -6.416 1.00 0.47 H new ATOM 0 HD11 ILE A 28 13.628 -8.653 -7.561 1.00 0.80 H new ATOM 0 HD12 ILE A 28 13.246 -7.962 -5.966 1.00 0.80 H new ATOM 0 HD13 ILE A 28 13.518 -9.713 -6.136 1.00 0.80 H new ATOM 460 N LEU A 29 9.133 -6.766 -4.223 1.00 0.51 N ATOM 461 CA LEU A 29 8.024 -6.192 -3.497 1.00 0.55 C ATOM 462 C LEU A 29 6.711 -6.801 -3.959 1.00 0.73 C ATOM 463 O LEU A 29 5.771 -6.962 -3.180 1.00 1.74 O ATOM 464 CB LEU A 29 8.026 -4.681 -3.717 1.00 0.71 C ATOM 465 CG LEU A 29 7.182 -3.872 -2.747 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.694 -4.046 -1.323 1.00 1.28 C ATOM 467 CD2 LEU A 29 7.192 -2.409 -3.150 1.00 1.33 C ATOM 0 H LEU A 29 9.357 -6.281 -5.092 1.00 0.51 H new ATOM 0 HA LEU A 29 8.130 -6.406 -2.434 1.00 0.55 H new ATOM 0 HB2 LEU A 29 9.055 -4.325 -3.658 1.00 0.71 H new ATOM 0 HB3 LEU A 29 7.676 -4.479 -4.729 1.00 0.71 H new ATOM 0 HG LEU A 29 6.155 -4.235 -2.782 1.00 0.74 H new ATOM 0 HD11 LEU A 29 7.078 -3.460 -0.641 1.00 1.28 H new ATOM 0 HD12 LEU A 29 7.643 -5.099 -1.044 1.00 1.28 H new ATOM 0 HD13 LEU A 29 8.727 -3.704 -1.264 1.00 1.28 H new ATOM 0 HD21 LEU A 29 6.585 -1.835 -2.450 1.00 1.33 H new ATOM 0 HD22 LEU A 29 8.215 -2.034 -3.135 1.00 1.33 H new ATOM 0 HD23 LEU A 29 6.783 -2.306 -4.155 1.00 1.33 H new ATOM 479 N GLY A 30 6.650 -7.144 -5.234 1.00 0.40 N ATOM 480 CA GLY A 30 5.471 -7.780 -5.772 1.00 0.32 C ATOM 481 C GLY A 30 4.471 -6.776 -6.293 1.00 0.35 C ATOM 482 O GLY A 30 3.832 -6.998 -7.311 1.00 0.69 O ATOM 0 H GLY A 30 7.400 -6.992 -5.908 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.760 -8.455 -6.578 1.00 0.32 H new ATOM 0 HA3 GLY A 30 5.003 -8.389 -4.998 1.00 0.32 H new ATOM 486 N PHE A 31 4.339 -5.666 -5.595 1.00 0.29 N ATOM 487 CA PHE A 31 3.406 -4.630 -5.976 1.00 0.28 C ATOM 488 C PHE A 31 4.143 -3.369 -6.396 1.00 0.31 C ATOM 489 O PHE A 31 5.283 -3.148 -5.993 1.00 0.42 O ATOM 490 CB PHE A 31 2.455 -4.325 -4.812 1.00 0.28 C ATOM 491 CG PHE A 31 3.118 -3.861 -3.534 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.388 -2.519 -3.324 1.00 0.42 C ATOM 493 CD2 PHE A 31 3.507 -4.772 -2.565 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.028 -2.096 -2.177 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.146 -4.354 -1.413 1.00 0.42 C ATOM 496 CZ PHE A 31 4.266 -3.002 -1.150 1.00 0.51 C ATOM 0 H PHE A 31 4.874 -5.459 -4.752 1.00 0.29 H new ATOM 0 HA PHE A 31 2.824 -4.985 -6.826 1.00 0.28 H new ATOM 0 HB2 PHE A 31 1.749 -3.559 -5.133 1.00 0.28 H new ATOM 0 HB3 PHE A 31 1.875 -5.222 -4.595 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.094 -1.794 -4.068 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.308 -5.823 -2.712 1.00 0.33 H new ATOM 0 HE1 PHE A 31 4.342 -1.067 -2.078 1.00 0.50 H new ATOM 0 HE2 PHE A 31 4.549 -5.079 -0.722 1.00 0.42 H new ATOM 0 HZ PHE A 31 4.540 -2.656 -0.164 1.00 0.51 H new ATOM 506 N SER A 32 3.494 -2.555 -7.210 1.00 0.25 N ATOM 507 CA SER A 32 4.050 -1.269 -7.583 1.00 0.23 C ATOM 508 C SER A 32 3.350 -0.203 -6.763 1.00 0.23 C ATOM 509 O SER A 32 2.286 -0.453 -6.206 1.00 0.29 O ATOM 510 CB SER A 32 3.886 -0.996 -9.080 1.00 0.25 C ATOM 511 OG SER A 32 4.645 0.135 -9.478 1.00 0.53 O ATOM 0 H SER A 32 2.585 -2.762 -7.623 1.00 0.25 H new ATOM 0 HA SER A 32 5.121 -1.263 -7.381 1.00 0.23 H new ATOM 0 HB2 SER A 32 4.203 -1.870 -9.649 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.833 -0.831 -9.310 1.00 0.25 H new ATOM 0 HG SER A 32 4.525 0.288 -10.439 1.00 0.53 H new ATOM 517 N ILE A 33 3.919 0.980 -6.707 1.00 0.23 N ATOM 518 CA ILE A 33 3.524 1.952 -5.705 1.00 0.25 C ATOM 519 C ILE A 33 3.934 3.354 -6.105 1.00 0.25 C ATOM 520 O ILE A 33 5.002 3.551 -6.678 1.00 0.32 O ATOM 521 CB ILE A 33 4.195 1.601 -4.352 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.280 2.825 -3.423 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.576 1.029 -4.609 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.335 2.703 -2.336 1.00 0.37 C ATOM 0 H ILE A 33 4.655 1.294 -7.340 1.00 0.23 H new ATOM 0 HA ILE A 33 2.438 1.919 -5.614 1.00 0.25 H new ATOM 0 HB ILE A 33 3.580 0.857 -3.846 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.492 3.710 -4.023 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.308 2.982 -2.956 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.050 0.781 -3.659 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.489 0.128 -5.217 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.183 1.766 -5.136 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.333 3.605 -1.724 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.114 1.839 -1.710 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.316 2.578 -2.794 1.00 0.37 H new ATOM 536 N GLY A 34 3.068 4.310 -5.833 1.00 0.26 N ATOM 537 CA GLY A 34 3.501 5.675 -5.735 1.00 0.43 C ATOM 538 C GLY A 34 2.748 6.391 -4.647 1.00 0.30 C ATOM 539 O GLY A 34 1.523 6.419 -4.628 1.00 0.72 O ATOM 0 H GLY A 34 2.071 4.162 -5.678 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.571 5.709 -5.528 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.344 6.181 -6.687 1.00 0.43 H new ATOM 543 N GLY A 35 3.489 6.876 -3.688 1.00 0.77 N ATOM 544 CA GLY A 35 2.945 7.750 -2.674 1.00 0.93 C ATOM 545 C GLY A 35 3.885 8.871 -2.382 1.00 0.73 C ATOM 546 O GLY A 35 4.986 8.611 -1.943 1.00 1.42 O ATOM 0 H GLY A 35 4.484 6.680 -3.584 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.987 8.150 -3.008 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.754 7.183 -1.763 1.00 0.93 H new ATOM 550 N GLY A 36 3.497 10.095 -2.589 1.00 0.40 N ATOM 551 CA GLY A 36 4.473 11.140 -2.500 1.00 0.39 C ATOM 552 C GLY A 36 3.872 12.502 -2.185 1.00 0.35 C ATOM 553 O GLY A 36 3.074 12.998 -2.976 1.00 0.48 O ATOM 0 H GLY A 36 2.546 10.388 -2.813 1.00 0.40 H new ATOM 0 HA2 GLY A 36 5.199 10.884 -1.728 1.00 0.39 H new ATOM 0 HA3 GLY A 36 5.017 11.200 -3.443 1.00 0.39 H new ATOM 557 N ILE A 37 4.229 13.124 -1.064 1.00 0.37 N ATOM 558 CA ILE A 37 4.330 14.576 -1.083 1.00 0.41 C ATOM 559 C ILE A 37 5.451 14.896 -2.044 1.00 0.38 C ATOM 560 O ILE A 37 5.560 15.990 -2.596 1.00 0.46 O ATOM 561 CB ILE A 37 4.644 15.202 0.281 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.858 14.522 0.912 1.00 0.47 C ATOM 563 CG2 ILE A 37 3.428 15.124 1.185 1.00 0.52 C ATOM 564 CD1 ILE A 37 6.282 15.143 2.223 1.00 0.49 C ATOM 0 H ILE A 37 4.443 12.672 -0.175 1.00 0.37 H new ATOM 0 HA ILE A 37 3.366 14.991 -1.376 1.00 0.41 H new ATOM 0 HB ILE A 37 4.890 16.255 0.142 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.631 13.468 1.075 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.693 14.564 0.212 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.663 15.572 2.151 1.00 0.52 H new ATOM 0 HG22 ILE A 37 2.599 15.664 0.727 1.00 0.52 H new ATOM 0 HG23 ILE A 37 3.147 14.081 1.328 1.00 0.52 H new ATOM 0 HD11 ILE A 37 7.149 14.611 2.614 1.00 0.49 H new ATOM 0 HD12 ILE A 37 6.541 16.190 2.063 1.00 0.49 H new ATOM 0 HD13 ILE A 37 5.462 15.077 2.939 1.00 0.49 H new ATOM 576 N ASP A 38 6.281 13.873 -2.222 1.00 0.35 N ATOM 577 CA ASP A 38 7.316 13.859 -3.220 1.00 0.40 C ATOM 578 C ASP A 38 6.713 13.895 -4.630 1.00 0.56 C ATOM 579 O ASP A 38 7.269 14.514 -5.536 1.00 0.69 O ATOM 580 CB ASP A 38 8.148 12.590 -3.081 1.00 0.39 C ATOM 581 CG ASP A 38 9.086 12.370 -4.242 1.00 0.42 C ATOM 582 OD1 ASP A 38 10.113 13.071 -4.308 1.00 0.68 O ATOM 583 OD2 ASP A 38 8.793 11.514 -5.092 1.00 0.72 O ATOM 0 H ASP A 38 6.243 13.022 -1.661 1.00 0.35 H new ATOM 0 HA ASP A 38 7.941 14.740 -3.072 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.726 12.641 -2.158 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.481 11.733 -2.993 1.00 0.39 H new ATOM 588 N GLN A 39 5.564 13.208 -4.800 1.00 0.63 N ATOM 589 CA GLN A 39 4.963 13.000 -6.121 1.00 0.85 C ATOM 590 C GLN A 39 4.361 14.285 -6.700 1.00 0.93 C ATOM 591 O GLN A 39 5.084 15.138 -7.217 1.00 1.19 O ATOM 592 CB GLN A 39 3.892 11.897 -6.078 1.00 0.98 C ATOM 593 CG GLN A 39 4.422 10.528 -5.677 1.00 1.00 C ATOM 594 CD GLN A 39 5.455 9.980 -6.637 1.00 0.60 C ATOM 595 OE1 GLN A 39 5.135 9.258 -7.580 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.706 10.327 -6.405 1.00 0.82 N ATOM 0 H GLN A 39 5.038 12.790 -4.033 1.00 0.63 H new ATOM 0 HA GLN A 39 5.773 12.686 -6.779 1.00 0.85 H new ATOM 0 HB2 GLN A 39 3.111 12.192 -5.377 1.00 0.98 H new ATOM 0 HB3 GLN A 39 3.426 11.820 -7.060 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.861 10.594 -4.681 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.589 9.828 -5.613 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.930 10.928 -5.612 1.00 0.82 H new ATOM 0 HE22 GLN A 39 7.450 9.995 -7.019 1.00 0.82 H new ATOM 815 N GLY A 54 -0.338 11.131 0.587 1.00 0.78 N ATOM 816 CA GLY A 54 0.356 10.068 1.271 1.00 0.65 C ATOM 817 C GLY A 54 0.941 9.072 0.310 1.00 0.53 C ATOM 818 O GLY A 54 1.356 9.442 -0.791 1.00 0.57 O ATOM 0 HA2 GLY A 54 1.151 10.490 1.885 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -0.333 9.560 1.946 1.00 0.65 H new ATOM 822 N ILE A 55 0.960 7.801 0.697 1.00 0.48 N ATOM 823 CA ILE A 55 1.538 6.783 -0.154 1.00 0.40 C ATOM 824 C ILE A 55 0.456 5.783 -0.506 1.00 0.33 C ATOM 825 O ILE A 55 -0.476 5.638 0.256 1.00 0.43 O ATOM 826 CB ILE A 55 2.773 6.117 0.517 1.00 0.46 C ATOM 827 CG1 ILE A 55 4.007 7.033 0.409 1.00 0.51 C ATOM 828 CG2 ILE A 55 3.087 4.773 -0.112 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.957 8.303 1.237 1.00 0.54 C ATOM 0 H ILE A 55 0.586 7.460 1.583 1.00 0.48 H new ATOM 0 HA ILE A 55 1.912 7.233 -1.074 1.00 0.40 H new ATOM 0 HB ILE A 55 2.528 5.960 1.567 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.887 6.462 0.705 1.00 0.51 H new ATOM 0 HG13 ILE A 55 4.142 7.308 -0.637 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.955 4.335 0.380 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.231 4.108 0.003 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.301 4.909 -1.172 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.874 8.872 1.086 1.00 0.54 H new ATOM 0 HD12 ILE A 55 3.102 8.905 0.929 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.859 8.046 2.292 1.00 0.54 H new ATOM 841 N TYR A 56 0.490 5.188 -1.698 1.00 0.25 N ATOM 842 CA TYR A 56 -0.514 4.212 -2.056 1.00 0.23 C ATOM 843 C TYR A 56 0.002 3.257 -3.117 1.00 0.18 C ATOM 844 O TYR A 56 0.940 3.575 -3.852 1.00 0.28 O ATOM 845 CB TYR A 56 -1.834 4.877 -2.476 1.00 0.36 C ATOM 846 CG TYR A 56 -1.709 6.023 -3.444 1.00 0.32 C ATOM 847 CD1 TYR A 56 -0.963 7.139 -3.122 1.00 0.67 C ATOM 848 CD2 TYR A 56 -2.356 5.987 -4.660 1.00 0.83 C ATOM 849 CE1 TYR A 56 -0.852 8.201 -3.990 1.00 0.90 C ATOM 850 CE2 TYR A 56 -2.262 7.044 -5.544 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.507 8.153 -5.203 1.00 1.01 C ATOM 852 OH TYR A 56 -1.406 9.212 -6.078 1.00 1.42 O ATOM 0 H TYR A 56 1.193 5.367 -2.415 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.730 3.623 -1.165 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.476 4.117 -2.922 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.340 5.236 -1.580 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -0.456 7.179 -2.169 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -2.944 5.121 -4.925 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -0.258 9.063 -3.724 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -2.774 7.006 -6.494 1.00 1.14 H new ATOM 0 HH TYR A 56 -1.925 9.019 -6.886 1.00 1.42 H new ATOM 862 N VAL A 57 -0.600 2.084 -3.166 1.00 0.18 N ATOM 863 CA VAL A 57 -0.130 1.018 -4.020 1.00 0.17 C ATOM 864 C VAL A 57 -0.828 1.054 -5.364 1.00 0.16 C ATOM 865 O VAL A 57 -2.051 1.192 -5.442 1.00 0.22 O ATOM 866 CB VAL A 57 -0.305 -0.353 -3.342 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.750 -0.765 -3.194 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.471 -1.420 -4.070 1.00 0.58 C ATOM 0 H VAL A 57 -1.425 1.847 -2.616 1.00 0.18 H new ATOM 0 HA VAL A 57 0.936 1.171 -4.191 1.00 0.17 H new ATOM 0 HB VAL A 57 0.096 -0.243 -2.334 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.803 -1.740 -2.709 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.278 -0.029 -2.588 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -2.214 -0.824 -4.178 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.330 -2.378 -3.570 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.115 -1.491 -5.098 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.530 -1.164 -4.070 1.00 0.58 H new ATOM 878 N THR A 58 -0.018 0.943 -6.407 1.00 0.17 N ATOM 879 CA THR A 58 -0.475 1.072 -7.774 1.00 0.24 C ATOM 880 C THR A 58 -0.579 -0.292 -8.461 1.00 0.38 C ATOM 881 O THR A 58 -1.219 -0.431 -9.499 1.00 1.11 O ATOM 882 CB THR A 58 0.491 1.979 -8.560 1.00 0.39 C ATOM 883 OG1 THR A 58 0.669 3.217 -7.856 1.00 0.83 O ATOM 884 CG2 THR A 58 -0.035 2.253 -9.960 1.00 0.69 C ATOM 0 H THR A 58 0.982 0.759 -6.323 1.00 0.17 H new ATOM 0 HA THR A 58 -1.470 1.517 -7.758 1.00 0.24 H new ATOM 0 HB THR A 58 1.449 1.467 -8.650 1.00 0.39 H new ATOM 0 HG1 THR A 58 1.285 3.792 -8.356 1.00 0.83 H new ATOM 0 HG21 THR A 58 0.666 2.895 -10.493 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.145 1.311 -10.498 1.00 0.69 H new ATOM 0 HG23 THR A 58 -1.003 2.749 -9.894 1.00 0.69 H new ATOM 892 N ARG A 59 0.058 -1.302 -7.899 1.00 0.31 N ATOM 893 CA ARG A 59 -0.035 -2.635 -8.475 1.00 0.26 C ATOM 894 C ARG A 59 -0.069 -3.752 -7.445 1.00 0.26 C ATOM 895 O ARG A 59 -0.216 -3.511 -6.249 1.00 0.27 O ATOM 896 CB ARG A 59 1.118 -2.893 -9.432 1.00 0.26 C ATOM 897 CG ARG A 59 0.825 -2.468 -10.847 1.00 0.34 C ATOM 898 CD ARG A 59 1.883 -2.994 -11.801 1.00 0.45 C ATOM 899 NE ARG A 59 1.415 -3.037 -13.181 1.00 1.06 N ATOM 900 CZ ARG A 59 2.210 -3.251 -14.228 1.00 1.50 C ATOM 901 NH1 ARG A 59 3.522 -3.359 -14.063 1.00 1.52 N ATOM 902 NH2 ARG A 59 1.691 -3.344 -15.447 1.00 2.27 N ATOM 0 H ARG A 59 0.635 -1.231 -7.061 1.00 0.31 H new ATOM 0 HA ARG A 59 -0.988 -2.649 -9.004 1.00 0.26 H new ATOM 0 HB2 ARG A 59 2.002 -2.363 -9.076 1.00 0.26 H new ATOM 0 HB3 ARG A 59 1.358 -3.956 -9.422 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.156 -2.837 -11.146 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.787 -1.380 -10.904 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.769 -2.362 -11.740 1.00 0.45 H new ATOM 0 HD3 ARG A 59 2.183 -3.995 -11.491 1.00 0.45 H new ATOM 0 HE ARG A 59 0.420 -2.895 -13.355 1.00 1.06 H new ATOM 0 HH11 ARG A 59 3.927 -3.278 -13.130 1.00 1.52 H new ATOM 0 HH12 ARG A 59 4.126 -3.523 -14.869 1.00 1.52 H new ATOM 0 HH21 ARG A 59 0.684 -3.252 -15.581 1.00 2.27 H new ATOM 0 HH22 ARG A 59 2.299 -3.508 -16.249 1.00 2.27 H new ATOM 916 N VAL A 60 -0.056 -4.970 -7.996 1.00 0.26 N ATOM 917 CA VAL A 60 0.297 -6.226 -7.321 1.00 0.27 C ATOM 918 C VAL A 60 0.466 -7.282 -8.407 1.00 0.36 C ATOM 919 O VAL A 60 -0.500 -7.640 -9.076 1.00 0.51 O ATOM 920 CB VAL A 60 -0.736 -6.783 -6.298 1.00 0.33 C ATOM 921 CG1 VAL A 60 -0.284 -8.161 -5.840 1.00 0.83 C ATOM 922 CG2 VAL A 60 -0.896 -5.889 -5.083 1.00 0.75 C ATOM 0 H VAL A 60 -0.304 -5.115 -8.975 1.00 0.26 H new ATOM 0 HA VAL A 60 1.192 -6.005 -6.740 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.702 -6.829 -6.801 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -1.002 -8.560 -5.123 1.00 0.83 H new ATOM 0 HG12 VAL A 60 -0.222 -8.828 -6.700 1.00 0.83 H new ATOM 0 HG13 VAL A 60 0.696 -8.084 -5.369 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.628 -6.326 -4.404 1.00 0.75 H new ATOM 0 HG22 VAL A 60 0.062 -5.795 -4.572 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.237 -4.903 -5.399 1.00 0.75 H new ATOM 932 N SER A 61 1.684 -7.741 -8.620 1.00 0.45 N ATOM 933 CA SER A 61 1.932 -8.764 -9.614 1.00 0.56 C ATOM 934 C SER A 61 1.570 -10.133 -9.074 1.00 0.56 C ATOM 935 O SER A 61 2.001 -10.526 -7.986 1.00 0.64 O ATOM 936 CB SER A 61 3.393 -8.752 -10.047 1.00 0.72 C ATOM 937 OG SER A 61 3.801 -7.448 -10.431 1.00 1.65 O ATOM 0 H SER A 61 2.514 -7.422 -8.120 1.00 0.45 H new ATOM 0 HA SER A 61 1.306 -8.548 -10.480 1.00 0.56 H new ATOM 0 HB2 SER A 61 4.021 -9.107 -9.230 1.00 0.72 H new ATOM 0 HB3 SER A 61 3.534 -9.441 -10.880 1.00 0.72 H new ATOM 0 HG SER A 61 3.938 -6.899 -9.631 1.00 1.65 H new ATOM 943 N GLU A 62 0.768 -10.836 -9.849 1.00 0.68 N ATOM 944 CA GLU A 62 0.401 -12.209 -9.567 1.00 0.73 C ATOM 945 C GLU A 62 1.621 -13.063 -9.288 1.00 0.74 C ATOM 946 O GLU A 62 2.484 -13.245 -10.152 1.00 0.84 O ATOM 947 CB GLU A 62 -0.345 -12.757 -10.763 1.00 0.86 C ATOM 948 CG GLU A 62 -1.754 -12.225 -10.876 1.00 1.45 C ATOM 949 CD GLU A 62 -2.344 -12.444 -12.250 1.00 1.62 C ATOM 950 OE1 GLU A 62 -2.133 -11.591 -13.136 1.00 1.85 O ATOM 951 OE2 GLU A 62 -3.018 -13.476 -12.455 1.00 1.75 O ATOM 0 H GLU A 62 0.348 -10.465 -10.702 1.00 0.68 H new ATOM 0 HA GLU A 62 -0.227 -12.233 -8.677 1.00 0.73 H new ATOM 0 HB2 GLU A 62 0.205 -12.510 -11.671 1.00 0.86 H new ATOM 0 HB3 GLU A 62 -0.378 -13.844 -10.696 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -2.384 -12.712 -10.131 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -1.756 -11.159 -10.648 1.00 1.45 H new ATOM 958 N GLY A 63 1.685 -13.571 -8.076 1.00 0.76 N ATOM 959 CA GLY A 63 2.779 -14.434 -7.692 1.00 0.86 C ATOM 960 C GLY A 63 3.743 -13.772 -6.729 1.00 0.80 C ATOM 961 O GLY A 63 4.493 -14.454 -6.026 1.00 0.92 O ATOM 0 H GLY A 63 0.996 -13.402 -7.343 1.00 0.76 H new ATOM 0 HA2 GLY A 63 2.378 -15.338 -7.233 1.00 0.86 H new ATOM 0 HA3 GLY A 63 3.321 -14.744 -8.585 1.00 0.86 H new ATOM 965 N GLY A 64 3.729 -12.444 -6.692 1.00 0.67 N ATOM 966 CA GLY A 64 4.593 -11.728 -5.775 1.00 0.66 C ATOM 967 C GLY A 64 4.055 -11.747 -4.373 1.00 0.63 C ATOM 968 O GLY A 64 2.918 -12.150 -4.143 1.00 0.99 O ATOM 0 H GLY A 64 3.138 -11.854 -7.278 1.00 0.67 H new ATOM 0 HA2 GLY A 64 5.587 -12.174 -5.789 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.702 -10.696 -6.109 1.00 0.66 H new ATOM 972 N PRO A 65 4.829 -11.248 -3.417 1.00 0.37 N ATOM 973 CA PRO A 65 4.526 -11.411 -2.003 1.00 0.27 C ATOM 974 C PRO A 65 3.344 -10.589 -1.550 1.00 0.23 C ATOM 975 O PRO A 65 2.710 -10.870 -0.533 1.00 0.29 O ATOM 976 CB PRO A 65 5.817 -10.981 -1.337 1.00 0.32 C ATOM 977 CG PRO A 65 6.427 -9.993 -2.264 1.00 0.43 C ATOM 978 CD PRO A 65 6.057 -10.457 -3.642 1.00 0.44 C ATOM 0 HA PRO A 65 4.226 -12.428 -1.752 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.627 -10.538 -0.360 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.480 -11.832 -1.177 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.048 -8.989 -2.073 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.509 -9.954 -2.140 1.00 0.43 H new ATOM 0 HD2 PRO A 65 5.877 -9.618 -4.314 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.847 -11.060 -4.089 1.00 0.44 H new ATOM 986 N ALA A 66 3.035 -9.600 -2.340 1.00 0.22 N ATOM 987 CA ALA A 66 1.882 -8.758 -2.114 1.00 0.24 C ATOM 988 C ALA A 66 0.574 -9.530 -2.301 1.00 0.29 C ATOM 989 O ALA A 66 -0.437 -9.220 -1.678 1.00 0.36 O ATOM 990 CB ALA A 66 1.951 -7.602 -3.071 1.00 0.27 C ATOM 0 H ALA A 66 3.577 -9.349 -3.167 1.00 0.22 H new ATOM 0 HA ALA A 66 1.895 -8.401 -1.084 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.090 -6.952 -2.919 1.00 0.27 H new ATOM 0 HB2 ALA A 66 2.867 -7.038 -2.895 1.00 0.27 H new ATOM 0 HB3 ALA A 66 1.947 -7.976 -4.095 1.00 0.27 H new ATOM 996 N GLU A 67 0.610 -10.543 -3.155 1.00 0.30 N ATOM 997 CA GLU A 67 -0.558 -11.379 -3.417 1.00 0.42 C ATOM 998 C GLU A 67 -0.804 -12.284 -2.217 1.00 0.39 C ATOM 999 O GLU A 67 -1.940 -12.570 -1.837 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.300 -12.212 -4.678 1.00 0.53 C ATOM 1001 CG GLU A 67 -1.283 -13.350 -4.905 1.00 0.77 C ATOM 1002 CD GLU A 67 -2.646 -12.880 -5.360 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -2.858 -12.766 -6.584 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -3.520 -12.656 -4.499 1.00 1.79 O ATOM 0 H GLU A 67 1.441 -10.809 -3.683 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.441 -10.760 -3.576 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -0.325 -11.551 -5.544 1.00 0.53 H new ATOM 0 HB3 GLU A 67 0.707 -12.626 -4.623 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -0.874 -14.031 -5.651 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -1.392 -13.917 -3.981 1.00 0.77 H new ATOM 1011 N ILE A 68 0.293 -12.695 -1.606 1.00 0.31 N ATOM 1012 CA ILE A 68 0.258 -13.609 -0.477 1.00 0.31 C ATOM 1013 C ILE A 68 -0.219 -12.880 0.778 1.00 0.28 C ATOM 1014 O ILE A 68 -0.970 -13.434 1.583 1.00 0.34 O ATOM 1015 CB ILE A 68 1.651 -14.252 -0.227 1.00 0.30 C ATOM 1016 CG1 ILE A 68 2.029 -15.248 -1.341 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.682 -14.958 1.121 1.00 0.32 C ATOM 1018 CD1 ILE A 68 2.013 -14.677 -2.739 1.00 0.51 C ATOM 0 H ILE A 68 1.232 -12.405 -1.878 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.444 -14.409 -0.714 1.00 0.31 H new ATOM 0 HB ILE A 68 2.383 -13.444 -0.229 1.00 0.30 H new ATOM 0 HG12 ILE A 68 3.026 -15.639 -1.136 1.00 0.39 H new ATOM 0 HG13 ILE A 68 1.341 -16.093 -1.302 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.665 -15.401 1.277 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.479 -14.238 1.914 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.924 -15.741 1.139 1.00 0.32 H new ATOM 0 HD11 ILE A 68 2.292 -15.453 -3.452 1.00 0.51 H new ATOM 0 HD12 ILE A 68 1.012 -14.313 -2.972 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.723 -13.852 -2.803 1.00 0.51 H new ATOM 1030 N ALA A 69 0.208 -11.629 0.933 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.225 -10.814 2.064 1.00 0.24 C ATOM 1032 C ALA A 69 -1.610 -10.233 1.810 1.00 0.31 C ATOM 1033 O ALA A 69 -2.306 -9.843 2.746 1.00 0.41 O ATOM 1034 CB ALA A 69 0.770 -9.697 2.350 1.00 0.24 C ATOM 0 H ALA A 69 0.850 -11.160 0.294 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.272 -11.461 2.940 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.421 -9.107 3.197 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.743 -10.128 2.584 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.859 -9.056 1.473 1.00 0.24 H new ATOM 1040 N GLY A 70 -2.006 -10.181 0.540 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.345 -9.726 0.206 1.00 0.41 C ATOM 1042 C GLY A 70 -3.439 -8.237 -0.078 1.00 0.36 C ATOM 1043 O GLY A 70 -4.099 -7.500 0.655 1.00 0.45 O ATOM 0 H GLY A 70 -1.428 -10.444 -0.258 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.697 -10.275 -0.668 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -4.017 -9.972 1.029 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.792 -7.795 -1.147 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.850 -6.396 -1.560 1.00 0.30 C ATOM 1049 C LEU A 71 -3.587 -6.292 -2.898 1.00 0.24 C ATOM 1050 O LEU A 71 -3.626 -7.263 -3.655 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.430 -5.840 -1.658 1.00 0.38 C ATOM 1052 CG LEU A 71 -1.311 -4.322 -1.744 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -2.008 -3.655 -0.564 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.157 -3.942 -1.785 1.00 0.87 C ATOM 0 H LEU A 71 -2.218 -8.386 -1.748 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.397 -5.805 -0.825 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.867 -6.180 -0.789 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.952 -6.272 -2.537 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.801 -3.974 -2.654 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.909 -2.573 -0.648 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -3.064 -3.924 -0.566 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.550 -3.990 0.366 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.251 -2.858 -1.847 1.00 0.87 H new ATOM 0 HD22 LEU A 71 0.650 -4.298 -0.881 1.00 0.87 H new ATOM 0 HD23 LEU A 71 0.626 -4.397 -2.657 1.00 0.87 H new ATOM 1066 N GLN A 72 -4.175 -5.131 -3.199 1.00 0.24 N ATOM 1067 CA GLN A 72 -5.137 -5.055 -4.300 1.00 0.33 C ATOM 1068 C GLN A 72 -4.814 -4.024 -5.372 1.00 0.25 C ATOM 1069 O GLN A 72 -5.740 -3.488 -5.989 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.507 -4.740 -3.755 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.977 -5.736 -2.738 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.825 -5.075 -1.695 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -7.161 -4.520 -0.710 1.00 1.21 O flip ATOM 1074 NE2 GLN A 72 -9.053 -5.018 -1.795 1.00 0.64 N flip ATOM 0 H GLN A 72 -4.008 -4.252 -2.710 1.00 0.24 H new ATOM 0 HA GLN A 72 -5.091 -6.033 -4.779 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.493 -3.748 -3.304 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -7.220 -4.706 -4.578 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -7.547 -6.523 -3.231 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -6.118 -6.213 -2.266 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -9.522 -5.467 -2.582 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -9.600 -4.522 -1.091 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.538 -3.747 -5.625 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.167 -2.993 -6.815 1.00 0.26 C ATOM 1085 C ILE A 73 -3.623 -1.515 -6.767 1.00 0.23 C ATOM 1086 O ILE A 73 -3.336 -0.756 -7.686 1.00 0.31 O ATOM 1087 CB ILE A 73 -3.776 -3.707 -8.062 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.415 -5.200 -8.041 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -3.298 -3.095 -9.360 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -4.024 -5.990 -9.181 1.00 0.77 C ATOM 0 H ILE A 73 -2.757 -4.028 -5.033 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.079 -2.970 -6.872 1.00 0.26 H new ATOM 0 HB ILE A 73 -4.857 -3.581 -8.010 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -2.331 -5.303 -8.078 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -3.744 -5.631 -7.095 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -3.748 -3.625 -10.200 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -3.588 -2.045 -9.396 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.213 -3.174 -9.421 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.725 -7.035 -9.100 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -5.111 -5.919 -9.133 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -3.675 -5.586 -10.131 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.258 -1.076 -5.681 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.924 0.219 -5.707 1.00 0.25 C ATOM 1104 C GLY A 74 -5.432 0.631 -4.346 1.00 0.29 C ATOM 1105 O GLY A 74 -6.592 1.003 -4.182 1.00 0.37 O ATOM 0 H GLY A 74 -4.324 -1.583 -4.798 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -4.230 0.974 -6.077 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.758 0.182 -6.408 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.545 0.565 -3.379 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.884 0.832 -1.984 1.00 0.34 C ATOM 1111 C ASP A 75 -4.028 1.974 -1.468 1.00 0.30 C ATOM 1112 O ASP A 75 -2.914 2.165 -1.933 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.676 -0.407 -1.106 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.575 -1.573 -1.476 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.793 -1.512 -1.180 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -5.058 -2.564 -2.040 1.00 0.89 O ATOM 0 H ASP A 75 -3.565 0.325 -3.529 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.939 1.102 -1.936 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.636 -0.724 -1.180 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.854 -0.138 -0.065 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.534 2.717 -0.503 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.828 3.879 0.018 1.00 0.28 C ATOM 1123 C LYS A 76 -3.026 3.505 1.267 1.00 0.28 C ATOM 1124 O LYS A 76 -3.565 3.039 2.243 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.826 5.000 0.330 1.00 0.34 C ATOM 1126 CG LYS A 76 -5.894 5.181 -0.746 1.00 0.74 C ATOM 1127 CD LYS A 76 -5.299 5.532 -2.103 1.00 1.17 C ATOM 1128 CE LYS A 76 -6.357 5.498 -3.198 1.00 1.55 C ATOM 1129 NZ LYS A 76 -5.810 5.892 -4.527 1.00 2.20 N ATOM 0 H LYS A 76 -5.435 2.538 -0.060 1.00 0.30 H new ATOM 0 HA LYS A 76 -3.128 4.235 -0.738 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.313 4.788 1.282 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.282 5.937 0.452 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -6.476 4.264 -0.834 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -6.584 5.968 -0.440 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -4.850 6.524 -2.060 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -4.500 4.831 -2.344 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -6.776 4.494 -3.264 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -7.174 6.168 -2.931 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -6.154 6.841 -4.776 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -4.771 5.900 -4.486 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -6.123 5.210 -5.247 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.737 3.729 1.225 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.833 3.315 2.287 1.00 0.27 C ATOM 1145 C ILE A 77 -0.709 4.369 3.371 1.00 0.25 C ATOM 1146 O ILE A 77 -0.364 5.548 3.100 1.00 0.29 O ATOM 1147 CB ILE A 77 0.544 3.030 1.703 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.460 1.813 0.789 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.613 2.858 2.790 1.00 0.38 C ATOM 1150 CD1 ILE A 77 1.323 1.952 -0.430 1.00 0.49 C ATOM 0 H ILE A 77 -1.275 4.206 0.451 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.248 2.415 2.740 1.00 0.27 H new ATOM 0 HB ILE A 77 0.857 3.893 1.116 1.00 0.31 H new ATOM 0 HG12 ILE A 77 0.760 0.924 1.344 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.575 1.663 0.483 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.577 2.657 2.323 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.680 3.771 3.382 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.342 2.024 3.438 1.00 0.38 H new ATOM 0 HD11 ILE A 77 1.227 1.059 -1.047 1.00 0.49 H new ATOM 0 HD12 ILE A 77 1.007 2.824 -1.002 1.00 0.49 H new ATOM 0 HD13 ILE A 77 2.363 2.074 -0.127 1.00 0.49 H new ATOM 1162 N MET A 78 -0.980 3.903 4.590 1.00 0.22 N ATOM 1163 CA MET A 78 -0.982 4.724 5.783 1.00 0.24 C ATOM 1164 C MET A 78 0.337 4.629 6.531 1.00 0.24 C ATOM 1165 O MET A 78 0.629 5.449 7.395 1.00 0.30 O ATOM 1166 CB MET A 78 -2.105 4.291 6.727 1.00 0.33 C ATOM 1167 CG MET A 78 -3.446 4.058 6.049 1.00 0.32 C ATOM 1168 SD MET A 78 -4.317 5.583 5.620 1.00 0.75 S ATOM 1169 CE MET A 78 -3.185 6.299 4.435 1.00 1.06 C ATOM 0 H MET A 78 -1.207 2.925 4.771 1.00 0.22 H new ATOM 0 HA MET A 78 -1.135 5.754 5.461 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.804 3.373 7.232 1.00 0.33 H new ATOM 0 HB3 MET A 78 -2.229 5.053 7.497 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.288 3.473 5.143 1.00 0.32 H new ATOM 0 HG3 MET A 78 -4.078 3.462 6.708 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.694 7.081 3.872 1.00 1.06 H new ATOM 0 HE2 MET A 78 -2.331 6.727 4.960 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.839 5.526 3.749 1.00 1.06 H new ATOM 1179 N GLN A 79 1.124 3.616 6.216 1.00 0.23 N ATOM 1180 CA GLN A 79 2.363 3.369 6.937 1.00 0.23 C ATOM 1181 C GLN A 79 3.221 2.327 6.231 1.00 0.24 C ATOM 1182 O GLN A 79 2.703 1.437 5.560 1.00 0.24 O ATOM 1183 CB GLN A 79 2.062 2.944 8.377 1.00 0.26 C ATOM 1184 CG GLN A 79 2.956 1.845 8.909 1.00 0.54 C ATOM 1185 CD GLN A 79 2.696 1.570 10.365 1.00 0.50 C ATOM 1186 OE1 GLN A 79 1.906 0.693 10.716 1.00 0.82 O ATOM 1187 NE2 GLN A 79 3.331 2.352 11.217 1.00 0.43 N ATOM 0 H GLN A 79 0.929 2.951 5.467 1.00 0.23 H new ATOM 0 HA GLN A 79 2.932 4.298 6.959 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.154 3.815 9.026 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.026 2.611 8.435 1.00 0.26 H new ATOM 0 HG2 GLN A 79 2.795 0.934 8.332 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.000 2.128 8.773 1.00 0.54 H new ATOM 0 HE21 GLN A 79 3.976 3.064 10.873 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.177 2.245 12.220 1.00 0.43 H new ATOM 1196 N VAL A 80 4.532 2.448 6.399 1.00 0.28 N ATOM 1197 CA VAL A 80 5.486 1.543 5.767 1.00 0.35 C ATOM 1198 C VAL A 80 6.614 1.187 6.729 1.00 0.31 C ATOM 1199 O VAL A 80 7.345 2.065 7.187 1.00 0.31 O ATOM 1200 CB VAL A 80 6.082 2.167 4.485 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.432 1.558 4.149 1.00 0.85 C ATOM 1202 CG2 VAL A 80 5.130 2.009 3.314 1.00 1.31 C ATOM 0 H VAL A 80 4.963 3.172 6.974 1.00 0.28 H new ATOM 0 HA VAL A 80 4.945 0.636 5.498 1.00 0.35 H new ATOM 0 HB VAL A 80 6.227 3.230 4.676 1.00 0.52 H new ATOM 0 HG11 VAL A 80 7.823 2.019 3.242 1.00 0.85 H new ATOM 0 HG12 VAL A 80 8.125 1.732 4.972 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.318 0.486 3.991 1.00 0.85 H new ATOM 0 HG21 VAL A 80 5.572 2.456 2.423 1.00 1.31 H new ATOM 0 HG22 VAL A 80 4.946 0.950 3.135 1.00 1.31 H new ATOM 0 HG23 VAL A 80 4.188 2.508 3.541 1.00 1.31 H new ATOM 1212 N ASN A 81 6.732 -0.103 7.039 1.00 0.34 N ATOM 1213 CA ASN A 81 7.811 -0.623 7.886 1.00 0.38 C ATOM 1214 C ASN A 81 7.904 0.126 9.210 1.00 0.34 C ATOM 1215 O ASN A 81 8.983 0.254 9.788 1.00 0.40 O ATOM 1216 CB ASN A 81 9.153 -0.557 7.143 1.00 0.46 C ATOM 1217 CG ASN A 81 9.244 -1.576 6.020 1.00 0.70 C ATOM 1218 OD1 ASN A 81 8.778 -1.335 4.913 1.00 1.50 O ATOM 1219 ND2 ASN A 81 9.863 -2.716 6.288 1.00 1.18 N ATOM 0 H ASN A 81 6.084 -0.819 6.712 1.00 0.34 H new ATOM 0 HA ASN A 81 7.577 -1.664 8.111 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.290 0.444 6.734 1.00 0.46 H new ATOM 0 HB3 ASN A 81 9.965 -0.726 7.850 1.00 0.46 H new ATOM 0 HD21 ASN A 81 9.963 -3.425 5.562 1.00 1.18 H new ATOM 0 HD22 ASN A 81 10.240 -2.885 7.221 1.00 1.18 H new ATOM 1226 N GLY A 82 6.766 0.607 9.697 1.00 0.32 N ATOM 1227 CA GLY A 82 6.753 1.315 10.965 1.00 0.34 C ATOM 1228 C GLY A 82 6.749 2.822 10.803 1.00 0.31 C ATOM 1229 O GLY A 82 6.632 3.553 11.784 1.00 0.38 O ATOM 0 H GLY A 82 5.858 0.521 9.241 1.00 0.32 H new ATOM 0 HA2 GLY A 82 5.873 1.014 11.534 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.625 1.020 11.548 1.00 0.34 H new ATOM 1233 N TRP A 83 6.875 3.289 9.570 1.00 0.28 N ATOM 1234 CA TRP A 83 6.811 4.718 9.285 1.00 0.28 C ATOM 1235 C TRP A 83 5.381 5.140 9.075 1.00 0.29 C ATOM 1236 O TRP A 83 4.490 4.311 9.029 1.00 0.48 O ATOM 1237 CB TRP A 83 7.628 5.080 8.047 1.00 0.30 C ATOM 1238 CG TRP A 83 9.090 5.007 8.260 1.00 0.33 C ATOM 1239 CD1 TRP A 83 9.837 3.878 8.351 1.00 0.35 C ATOM 1240 CD2 TRP A 83 9.992 6.108 8.393 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.152 4.205 8.526 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.276 5.568 8.560 1.00 0.48 C ATOM 1243 CE3 TRP A 83 9.837 7.495 8.389 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.406 6.363 8.713 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 10.957 8.286 8.542 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.227 7.715 8.706 1.00 0.76 C ATOM 0 H TRP A 83 7.022 2.701 8.750 1.00 0.28 H new ATOM 0 HA TRP A 83 7.232 5.243 10.142 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.354 4.410 7.232 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.365 6.090 7.731 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.450 2.871 8.294 1.00 0.35 H new ATOM 0 HE1 TRP A 83 11.919 3.539 8.617 1.00 0.41 H new ATOM 0 HE3 TRP A 83 8.860 7.940 8.269 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.387 5.927 8.833 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 10.854 9.361 8.535 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.084 8.361 8.830 1.00 0.76 H new ATOM 1257 N ASP A 84 5.185 6.427 8.907 1.00 0.39 N ATOM 1258 CA ASP A 84 3.854 6.997 8.829 1.00 0.41 C ATOM 1259 C ASP A 84 3.630 7.601 7.457 1.00 0.40 C ATOM 1260 O ASP A 84 4.294 8.570 7.082 1.00 0.59 O ATOM 1261 CB ASP A 84 3.693 8.058 9.912 1.00 0.62 C ATOM 1262 CG ASP A 84 2.312 8.701 9.927 1.00 1.16 C ATOM 1263 OD1 ASP A 84 2.020 9.512 9.023 1.00 1.28 O ATOM 1264 OD2 ASP A 84 1.493 8.364 10.816 1.00 1.89 O ATOM 0 H ASP A 84 5.939 7.109 8.820 1.00 0.39 H new ATOM 0 HA ASP A 84 3.112 6.214 8.986 1.00 0.41 H new ATOM 0 HB2 ASP A 84 3.886 7.606 10.885 1.00 0.62 H new ATOM 0 HB3 ASP A 84 4.445 8.833 9.766 1.00 0.62 H new ATOM 1269 N MET A 85 2.728 7.015 6.692 1.00 0.36 N ATOM 1270 CA MET A 85 2.449 7.524 5.368 1.00 0.46 C ATOM 1271 C MET A 85 1.104 8.214 5.348 1.00 0.36 C ATOM 1272 O MET A 85 0.051 7.584 5.290 1.00 0.56 O ATOM 1273 CB MET A 85 2.481 6.410 4.327 1.00 0.76 C ATOM 1274 CG MET A 85 3.729 5.564 4.396 1.00 0.49 C ATOM 1275 SD MET A 85 5.208 6.556 4.224 1.00 1.01 S ATOM 1276 CE MET A 85 6.451 5.357 4.625 1.00 0.44 C ATOM 0 H MET A 85 2.183 6.196 6.963 1.00 0.36 H new ATOM 0 HA MET A 85 3.227 8.245 5.115 1.00 0.46 H new ATOM 0 HB2 MET A 85 1.609 5.770 4.463 1.00 0.76 H new ATOM 0 HB3 MET A 85 2.403 6.849 3.332 1.00 0.76 H new ATOM 0 HG2 MET A 85 3.756 5.031 5.347 1.00 0.49 H new ATOM 0 HG3 MET A 85 3.702 4.810 3.609 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.411 5.857 4.755 1.00 0.44 H new ATOM 0 HE2 MET A 85 6.179 4.847 5.549 1.00 0.44 H new ATOM 0 HE3 MET A 85 6.528 4.629 3.817 1.00 0.44 H new ATOM 1286 N THR A 86 1.165 9.517 5.409 1.00 0.31 N ATOM 1287 CA THR A 86 0.011 10.364 5.233 1.00 0.35 C ATOM 1288 C THR A 86 0.384 11.464 4.279 1.00 0.46 C ATOM 1289 O THR A 86 -0.425 11.942 3.486 1.00 1.05 O ATOM 1290 CB THR A 86 -0.436 10.998 6.557 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.712 11.433 7.300 1.00 0.47 O ATOM 1292 CG2 THR A 86 -1.243 10.032 7.384 1.00 0.37 C ATOM 0 H THR A 86 2.029 10.030 5.585 1.00 0.31 H new ATOM 0 HA THR A 86 -0.811 9.758 4.853 1.00 0.35 H new ATOM 0 HB THR A 86 -1.069 11.854 6.324 1.00 0.36 H new ATOM 0 HG1 THR A 86 1.044 10.694 7.852 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.544 10.513 8.315 1.00 0.37 H new ATOM 0 HG22 THR A 86 -2.131 9.730 6.828 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.639 9.153 7.608 1.00 0.37 H new ATOM 1300 N MET A 87 1.634 11.883 4.410 1.00 0.56 N ATOM 1301 CA MET A 87 2.220 12.874 3.542 1.00 0.65 C ATOM 1302 C MET A 87 3.735 12.810 3.629 1.00 0.76 C ATOM 1303 O MET A 87 4.354 13.609 4.333 1.00 1.49 O ATOM 1304 CB MET A 87 1.756 14.288 3.900 1.00 0.84 C ATOM 1305 CG MET A 87 0.825 14.365 5.111 1.00 0.97 C ATOM 1306 SD MET A 87 0.599 16.051 5.711 1.00 1.36 S ATOM 1307 CE MET A 87 -0.402 15.760 7.166 1.00 1.62 C ATOM 0 H MET A 87 2.269 11.537 5.130 1.00 0.56 H new ATOM 0 HA MET A 87 1.893 12.653 2.526 1.00 0.65 H new ATOM 0 HB2 MET A 87 2.633 14.906 4.092 1.00 0.84 H new ATOM 0 HB3 MET A 87 1.246 14.718 3.038 1.00 0.84 H new ATOM 0 HG2 MET A 87 -0.145 13.945 4.845 1.00 0.97 H new ATOM 0 HG3 MET A 87 1.229 13.749 5.914 1.00 0.97 H new ATOM 0 HE1 MET A 87 -0.626 16.711 7.649 1.00 1.62 H new ATOM 0 HE2 MET A 87 -1.332 15.272 6.876 1.00 1.62 H new ATOM 0 HE3 MET A 87 0.142 15.120 7.860 1.00 1.62 H new ATOM 1317 N VAL A 88 4.328 11.837 2.959 1.00 0.40 N ATOM 1318 CA VAL A 88 5.756 11.756 2.876 1.00 0.45 C ATOM 1319 C VAL A 88 6.164 11.390 1.450 1.00 0.36 C ATOM 1320 O VAL A 88 5.321 11.005 0.641 1.00 0.39 O ATOM 1321 CB VAL A 88 6.311 10.762 3.905 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.288 9.328 3.401 1.00 0.72 C ATOM 1323 CG2 VAL A 88 7.691 11.192 4.312 1.00 1.09 C ATOM 0 H VAL A 88 3.831 11.095 2.467 1.00 0.40 H new ATOM 0 HA VAL A 88 6.187 12.728 3.116 1.00 0.45 H new ATOM 0 HB VAL A 88 5.662 10.773 4.780 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.691 8.666 4.168 1.00 0.72 H new ATOM 0 HG12 VAL A 88 5.262 9.038 3.175 1.00 0.72 H new ATOM 0 HG13 VAL A 88 6.894 9.250 2.499 1.00 0.72 H new ATOM 0 HG21 VAL A 88 8.090 10.489 5.043 1.00 1.09 H new ATOM 0 HG22 VAL A 88 8.339 11.212 3.436 1.00 1.09 H new ATOM 0 HG23 VAL A 88 7.647 12.188 4.753 1.00 1.09 H new ATOM 1333 N THR A 89 7.431 11.587 1.122 1.00 0.31 N ATOM 1334 CA THR A 89 7.922 11.352 -0.214 1.00 0.28 C ATOM 1335 C THR A 89 7.797 9.885 -0.629 1.00 0.26 C ATOM 1336 O THR A 89 7.814 8.981 0.204 1.00 0.26 O ATOM 1337 CB THR A 89 9.382 11.833 -0.321 1.00 0.31 C ATOM 1338 OG1 THR A 89 10.220 11.083 0.562 1.00 0.32 O ATOM 1339 CG2 THR A 89 9.454 13.311 0.041 1.00 0.35 C ATOM 0 H THR A 89 8.141 11.914 1.777 1.00 0.31 H new ATOM 0 HA THR A 89 7.302 11.923 -0.905 1.00 0.28 H new ATOM 0 HB THR A 89 9.729 11.685 -1.344 1.00 0.31 H new ATOM 0 HG1 THR A 89 11.144 11.398 0.482 1.00 0.32 H new ATOM 0 HG21 THR A 89 10.486 13.654 -0.034 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.830 13.884 -0.645 1.00 0.35 H new ATOM 0 HG23 THR A 89 9.097 13.454 1.061 1.00 0.35 H new ATOM 1347 N HIS A 90 7.649 9.662 -1.928 1.00 0.26 N ATOM 1348 CA HIS A 90 7.550 8.312 -2.476 1.00 0.25 C ATOM 1349 C HIS A 90 8.805 7.555 -2.191 1.00 0.27 C ATOM 1350 O HIS A 90 8.787 6.359 -1.927 1.00 0.30 O ATOM 1351 CB HIS A 90 7.323 8.384 -3.976 1.00 0.25 C ATOM 1352 CG HIS A 90 7.186 7.055 -4.661 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.450 6.887 -5.998 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.789 5.835 -4.205 1.00 0.27 C ATOM 1355 CE1 HIS A 90 7.216 5.636 -6.339 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.826 4.979 -5.269 1.00 0.32 N ATOM 0 H HIS A 90 7.594 10.403 -2.627 1.00 0.26 H new ATOM 0 HA HIS A 90 6.710 7.797 -2.009 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.422 8.968 -4.164 1.00 0.25 H new ATOM 0 HB3 HIS A 90 8.154 8.925 -4.429 1.00 0.25 H new ATOM 0 HD2 HIS A 90 6.500 5.590 -3.194 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.326 5.221 -7.330 1.00 0.35 H new ATOM 0 HE2 HIS A 90 6.589 3.987 -5.238 1.00 0.32 H new ATOM 1365 N ASP A 91 9.881 8.285 -2.222 1.00 0.31 N ATOM 1366 CA ASP A 91 11.194 7.708 -1.990 1.00 0.34 C ATOM 1367 C ASP A 91 11.320 7.303 -0.546 1.00 0.32 C ATOM 1368 O ASP A 91 11.986 6.325 -0.232 1.00 0.33 O ATOM 1369 CB ASP A 91 12.313 8.670 -2.358 1.00 0.41 C ATOM 1370 CG ASP A 91 12.610 8.675 -3.843 1.00 1.03 C ATOM 1371 OD1 ASP A 91 11.662 8.767 -4.652 1.00 1.45 O ATOM 1372 OD2 ASP A 91 13.800 8.568 -4.209 1.00 1.67 O ATOM 0 H ASP A 91 9.886 9.288 -2.406 1.00 0.31 H new ATOM 0 HA ASP A 91 11.291 6.833 -2.632 1.00 0.34 H new ATOM 0 HB2 ASP A 91 12.040 9.677 -2.042 1.00 0.41 H new ATOM 0 HB3 ASP A 91 13.216 8.398 -1.811 1.00 0.41 H new ATOM 1377 N GLN A 92 10.649 8.041 0.331 1.00 0.31 N ATOM 1378 CA GLN A 92 10.666 7.732 1.734 1.00 0.32 C ATOM 1379 C GLN A 92 10.068 6.352 1.935 1.00 0.29 C ATOM 1380 O GLN A 92 10.682 5.459 2.522 1.00 0.31 O ATOM 1381 CB GLN A 92 9.828 8.757 2.472 1.00 0.36 C ATOM 1382 CG GLN A 92 9.587 8.399 3.905 1.00 0.42 C ATOM 1383 CD GLN A 92 10.689 8.874 4.812 1.00 0.57 C ATOM 1384 OE1 GLN A 92 10.457 10.016 5.414 1.00 0.77 O flip ATOM 1385 NE2 GLN A 92 11.710 8.211 4.998 1.00 0.62 N flip ATOM 0 H GLN A 92 10.089 8.857 0.083 1.00 0.31 H new ATOM 0 HA GLN A 92 11.687 7.751 2.114 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.326 9.726 2.425 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.869 8.866 1.965 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.641 8.833 4.230 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.489 7.317 3.994 1.00 0.42 H new ATOM 0 HE21 GLN A 92 11.842 7.328 4.504 1.00 0.62 H new ATOM 0 HE22 GLN A 92 12.424 8.545 5.646 1.00 0.62 H new ATOM 1394 N ALA A 93 8.880 6.181 1.376 1.00 0.27 N ATOM 1395 CA ALA A 93 8.144 4.946 1.524 1.00 0.28 C ATOM 1396 C ALA A 93 8.836 3.832 0.769 1.00 0.28 C ATOM 1397 O ALA A 93 8.969 2.716 1.263 1.00 0.33 O ATOM 1398 CB ALA A 93 6.721 5.122 1.025 1.00 0.33 C ATOM 0 H ALA A 93 8.407 6.889 0.814 1.00 0.27 H new ATOM 0 HA ALA A 93 8.111 4.680 2.580 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.176 4.185 1.141 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.227 5.903 1.603 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.737 5.404 -0.028 1.00 0.33 H new ATOM 1404 N ARG A 94 9.307 4.167 -0.420 1.00 0.27 N ATOM 1405 CA ARG A 94 9.942 3.201 -1.299 1.00 0.30 C ATOM 1406 C ARG A 94 11.237 2.672 -0.693 1.00 0.33 C ATOM 1407 O ARG A 94 11.526 1.483 -0.763 1.00 0.37 O ATOM 1408 CB ARG A 94 10.241 3.844 -2.646 1.00 0.34 C ATOM 1409 CG ARG A 94 10.454 2.832 -3.753 1.00 0.43 C ATOM 1410 CD ARG A 94 10.927 3.486 -5.037 1.00 0.57 C ATOM 1411 NE ARG A 94 12.199 4.191 -4.879 1.00 1.04 N ATOM 1412 CZ ARG A 94 12.899 4.676 -5.904 1.00 1.41 C ATOM 1413 NH1 ARG A 94 12.472 4.482 -7.147 1.00 1.57 N ATOM 1414 NH2 ARG A 94 14.025 5.346 -5.692 1.00 2.10 N ATOM 0 H ARG A 94 9.260 5.112 -0.802 1.00 0.27 H new ATOM 0 HA ARG A 94 9.255 2.365 -1.432 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.417 4.503 -2.918 1.00 0.34 H new ATOM 0 HB3 ARG A 94 11.131 4.467 -2.555 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.187 2.092 -3.432 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.523 2.298 -3.940 1.00 0.43 H new ATOM 0 HD2 ARG A 94 11.032 2.725 -5.810 1.00 0.57 H new ATOM 0 HD3 ARG A 94 10.168 4.188 -5.383 1.00 0.57 H new ATOM 0 HE ARG A 94 12.569 4.318 -3.937 1.00 1.04 H new ATOM 0 HH11 ARG A 94 11.610 3.963 -7.315 1.00 1.57 H new ATOM 0 HH12 ARG A 94 13.006 4.852 -7.933 1.00 1.57 H new ATOM 0 HH21 ARG A 94 14.360 5.492 -4.740 1.00 2.10 H new ATOM 0 HH22 ARG A 94 14.556 5.714 -6.481 1.00 2.10 H new ATOM 1428 N LYS A 95 12.009 3.565 -0.091 1.00 0.33 N ATOM 1429 CA LYS A 95 13.278 3.208 0.484 1.00 0.40 C ATOM 1430 C LYS A 95 13.062 2.313 1.701 1.00 0.42 C ATOM 1431 O LYS A 95 13.900 1.475 2.032 1.00 0.46 O ATOM 1432 CB LYS A 95 14.029 4.495 0.849 1.00 0.46 C ATOM 1433 CG LYS A 95 15.366 4.288 1.522 1.00 0.64 C ATOM 1434 CD LYS A 95 15.210 4.117 3.027 1.00 0.56 C ATOM 1435 CE LYS A 95 16.374 3.359 3.635 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.660 4.093 3.501 1.00 0.96 N ATOM 0 H LYS A 95 11.766 4.551 0.007 1.00 0.33 H new ATOM 0 HA LYS A 95 13.879 2.645 -0.231 1.00 0.40 H new ATOM 0 HB2 LYS A 95 14.183 5.077 -0.059 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.397 5.092 1.507 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.854 3.408 1.103 1.00 0.64 H new ATOM 0 HG3 LYS A 95 16.014 5.140 1.316 1.00 0.64 H new ATOM 0 HD2 LYS A 95 15.130 5.097 3.497 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.282 3.586 3.237 1.00 0.56 H new ATOM 0 HE2 LYS A 95 16.172 3.174 4.690 1.00 0.60 H new ATOM 0 HE3 LYS A 95 16.462 2.386 3.152 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.425 3.535 3.931 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.868 4.247 2.494 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.588 5.011 3.984 1.00 0.96 H new ATOM 1450 N ARG A 96 11.930 2.495 2.362 1.00 0.45 N ATOM 1451 CA ARG A 96 11.624 1.715 3.546 1.00 0.51 C ATOM 1452 C ARG A 96 11.216 0.286 3.207 1.00 0.57 C ATOM 1453 O ARG A 96 11.730 -0.665 3.800 1.00 0.72 O ATOM 1454 CB ARG A 96 10.525 2.378 4.363 1.00 0.55 C ATOM 1455 CG ARG A 96 10.925 3.705 4.975 1.00 0.59 C ATOM 1456 CD ARG A 96 12.253 3.608 5.700 1.00 0.72 C ATOM 1457 NE ARG A 96 12.322 2.434 6.579 1.00 1.98 N ATOM 1458 CZ ARG A 96 13.262 2.251 7.508 1.00 2.35 C ATOM 1459 NH1 ARG A 96 14.246 3.132 7.652 1.00 1.58 N ATOM 1460 NH2 ARG A 96 13.232 1.178 8.285 1.00 3.57 N ATOM 0 H ARG A 96 11.213 3.172 2.100 1.00 0.45 H new ATOM 0 HA ARG A 96 12.540 1.673 4.136 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.655 2.532 3.725 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.220 1.700 5.160 1.00 0.55 H new ATOM 0 HG2 ARG A 96 10.991 4.462 4.193 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.153 4.033 5.671 1.00 0.59 H new ATOM 0 HD2 ARG A 96 13.061 3.561 4.970 1.00 0.72 H new ATOM 0 HD3 ARG A 96 12.409 4.511 6.290 1.00 0.72 H new ATOM 0 HE ARG A 96 11.607 1.714 6.473 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.286 3.955 7.050 1.00 1.58 H new ATOM 0 HH12 ARG A 96 14.961 2.986 8.364 1.00 1.58 H new ATOM 0 HH21 ARG A 96 12.489 0.489 8.174 1.00 3.57 H new ATOM 0 HH22 ARG A 96 13.952 1.042 8.994 1.00 3.57 H new ATOM 1474 N LEU A 97 10.297 0.133 2.263 1.00 0.52 N ATOM 1475 CA LEU A 97 9.806 -1.195 1.895 1.00 0.57 C ATOM 1476 C LEU A 97 10.745 -1.885 0.907 1.00 0.64 C ATOM 1477 O LEU A 97 10.548 -3.046 0.550 1.00 0.96 O ATOM 1478 CB LEU A 97 8.371 -1.120 1.342 1.00 0.70 C ATOM 1479 CG LEU A 97 8.084 0.004 0.339 1.00 0.88 C ATOM 1480 CD1 LEU A 97 8.808 -0.224 -0.976 1.00 1.45 C ATOM 1481 CD2 LEU A 97 6.587 0.133 0.103 1.00 1.65 C ATOM 0 H LEU A 97 9.878 0.902 1.740 1.00 0.52 H new ATOM 0 HA LEU A 97 9.784 -1.801 2.801 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.139 -2.072 0.864 1.00 0.70 H new ATOM 0 HB3 LEU A 97 7.686 -1.010 2.183 1.00 0.70 H new ATOM 0 HG LEU A 97 8.457 0.934 0.767 1.00 0.88 H new ATOM 0 HD11 LEU A 97 8.581 0.592 -1.662 1.00 1.45 H new ATOM 0 HD12 LEU A 97 9.883 -0.261 -0.798 1.00 1.45 H new ATOM 0 HD13 LEU A 97 8.480 -1.167 -1.413 1.00 1.45 H new ATOM 0 HD21 LEU A 97 6.399 0.935 -0.611 1.00 1.65 H new ATOM 0 HD22 LEU A 97 6.199 -0.805 -0.294 1.00 1.65 H new ATOM 0 HD23 LEU A 97 6.089 0.362 1.045 1.00 1.65 H new ATOM 1493 N THR A 98 11.768 -1.169 0.469 1.00 0.54 N ATOM 1494 CA THR A 98 12.773 -1.743 -0.402 1.00 0.65 C ATOM 1495 C THR A 98 14.146 -1.273 0.036 1.00 0.74 C ATOM 1496 O THR A 98 14.720 -0.331 -0.509 1.00 1.53 O ATOM 1497 CB THR A 98 12.528 -1.418 -1.895 1.00 0.92 C ATOM 1498 OG1 THR A 98 11.177 -1.743 -2.244 1.00 1.15 O ATOM 1499 CG2 THR A 98 13.474 -2.202 -2.799 1.00 1.12 C ATOM 0 H THR A 98 11.922 -0.188 0.704 1.00 0.54 H new ATOM 0 HA THR A 98 12.710 -2.828 -0.314 1.00 0.65 H new ATOM 0 HB THR A 98 12.712 -0.353 -2.039 1.00 0.92 H new ATOM 0 HG1 THR A 98 11.024 -1.535 -3.189 1.00 1.15 H new ATOM 0 HG21 THR A 98 13.275 -1.950 -3.840 1.00 1.12 H new ATOM 0 HG22 THR A 98 14.505 -1.947 -2.555 1.00 1.12 H new ATOM 0 HG23 THR A 98 13.319 -3.270 -2.648 1.00 1.12 H new ATOM 1507 N LYS A 99 14.623 -1.914 1.083 1.00 0.79 N ATOM 1508 CA LYS A 99 15.907 -1.604 1.676 1.00 1.12 C ATOM 1509 C LYS A 99 17.012 -2.334 0.948 1.00 1.36 C ATOM 1510 O LYS A 99 17.696 -1.761 0.102 1.00 2.28 O ATOM 1511 CB LYS A 99 15.874 -2.018 3.143 1.00 1.29 C ATOM 1512 CG LYS A 99 16.684 -1.138 4.072 1.00 1.18 C ATOM 1513 CD LYS A 99 15.991 0.187 4.301 1.00 1.56 C ATOM 1514 CE LYS A 99 14.541 -0.014 4.711 1.00 1.98 C ATOM 1515 NZ LYS A 99 14.416 -0.712 6.019 1.00 2.72 N ATOM 0 H LYS A 99 14.125 -2.672 1.550 1.00 0.79 H new ATOM 0 HA LYS A 99 16.103 -0.535 1.598 1.00 1.12 H new ATOM 0 HB2 LYS A 99 14.838 -2.022 3.481 1.00 1.29 H new ATOM 0 HB3 LYS A 99 16.240 -3.042 3.225 1.00 1.29 H new ATOM 0 HG2 LYS A 99 16.830 -1.646 5.025 1.00 1.18 H new ATOM 0 HG3 LYS A 99 17.673 -0.967 3.647 1.00 1.18 H new ATOM 0 HD2 LYS A 99 16.516 0.746 5.075 1.00 1.56 H new ATOM 0 HD3 LYS A 99 16.035 0.785 3.391 1.00 1.56 H new ATOM 0 HE2 LYS A 99 14.045 0.955 4.770 1.00 1.98 H new ATOM 0 HE3 LYS A 99 14.025 -0.591 3.943 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 13.411 -0.872 6.233 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 14.910 -1.626 5.973 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 14.840 -0.127 6.767 1.00 2.72 H new ATOM 1529 N ARG A 100 17.153 -3.611 1.273 1.00 1.04 N ATOM 1530 CA ARG A 100 18.166 -4.457 0.667 1.00 1.17 C ATOM 1531 C ARG A 100 18.198 -5.833 1.327 1.00 1.12 C ATOM 1532 O ARG A 100 18.575 -6.816 0.703 1.00 1.39 O ATOM 1533 CB ARG A 100 19.564 -3.824 0.752 1.00 1.55 C ATOM 1534 CG ARG A 100 19.989 -3.432 2.161 1.00 2.10 C ATOM 1535 CD ARG A 100 21.489 -3.198 2.228 1.00 2.50 C ATOM 1536 NE ARG A 100 21.965 -2.930 3.589 1.00 3.10 N ATOM 1537 CZ ARG A 100 23.259 -2.841 3.916 1.00 3.59 C ATOM 1538 NH1 ARG A 100 24.194 -2.982 2.982 1.00 3.60 N ATOM 1539 NH2 ARG A 100 23.620 -2.588 5.170 1.00 4.38 N ATOM 0 H ARG A 100 16.570 -4.087 1.962 1.00 1.04 H new ATOM 0 HA ARG A 100 17.896 -4.565 -0.383 1.00 1.17 H new ATOM 0 HB2 ARG A 100 20.293 -4.526 0.347 1.00 1.55 H new ATOM 0 HB3 ARG A 100 19.588 -2.938 0.118 1.00 1.55 H new ATOM 0 HG2 ARG A 100 19.462 -2.528 2.466 1.00 2.10 H new ATOM 0 HG3 ARG A 100 19.707 -4.218 2.862 1.00 2.10 H new ATOM 0 HD2 ARG A 100 22.006 -4.073 1.833 1.00 2.50 H new ATOM 0 HD3 ARG A 100 21.749 -2.357 1.585 1.00 2.50 H new ATOM 0 HE ARG A 100 21.272 -2.805 4.326 1.00 3.10 H new ATOM 0 HH11 ARG A 100 23.925 -3.158 2.014 1.00 3.60 H new ATOM 0 HH12 ARG A 100 25.180 -2.914 3.233 1.00 3.60 H new ATOM 0 HH21 ARG A 100 22.909 -2.460 5.890 1.00 4.38 H new ATOM 0 HH22 ARG A 100 24.608 -2.521 5.413 1.00 4.38 H new ATOM 1553 N SER A 101 17.783 -5.907 2.589 1.00 1.05 N ATOM 1554 CA SER A 101 17.941 -7.122 3.372 1.00 1.37 C ATOM 1555 C SER A 101 16.999 -7.110 4.564 1.00 1.22 C ATOM 1556 O SER A 101 17.365 -7.522 5.664 1.00 1.64 O ATOM 1557 CB SER A 101 19.389 -7.266 3.854 1.00 1.90 C ATOM 1558 OG SER A 101 20.278 -7.430 2.760 1.00 2.51 O ATOM 0 H SER A 101 17.335 -5.138 3.088 1.00 1.05 H new ATOM 0 HA SER A 101 17.696 -7.973 2.736 1.00 1.37 H new ATOM 0 HB2 SER A 101 19.674 -6.385 4.429 1.00 1.90 H new ATOM 0 HB3 SER A 101 19.469 -8.123 4.523 1.00 1.90 H new ATOM 0 HG SER A 101 21.195 -7.518 3.094 1.00 2.51 H new ATOM 1564 N GLU A 102 15.782 -6.631 4.335 1.00 1.06 N ATOM 1565 CA GLU A 102 14.745 -6.649 5.359 1.00 1.19 C ATOM 1566 C GLU A 102 14.471 -8.073 5.823 1.00 0.93 C ATOM 1567 O GLU A 102 14.744 -9.032 5.104 1.00 1.34 O ATOM 1568 CB GLU A 102 13.445 -6.042 4.823 1.00 1.63 C ATOM 1569 CG GLU A 102 13.492 -4.536 4.641 1.00 2.12 C ATOM 1570 CD GLU A 102 13.730 -3.798 5.941 1.00 2.70 C ATOM 1571 OE1 GLU A 102 12.806 -3.742 6.785 1.00 2.95 O ATOM 1572 OE2 GLU A 102 14.836 -3.253 6.117 1.00 3.40 O ATOM 0 H GLU A 102 15.489 -6.224 3.447 1.00 1.06 H new ATOM 0 HA GLU A 102 15.102 -6.056 6.201 1.00 1.19 H new ATOM 0 HB2 GLU A 102 13.208 -6.506 3.865 1.00 1.63 H new ATOM 0 HB3 GLU A 102 12.633 -6.289 5.506 1.00 1.63 H new ATOM 0 HG2 GLU A 102 14.283 -4.284 3.935 1.00 2.12 H new ATOM 0 HG3 GLU A 102 12.553 -4.198 4.202 1.00 2.12 H new ATOM 1579 N GLU A 103 13.943 -8.196 7.023 1.00 0.74 N ATOM 1580 CA GLU A 103 13.490 -9.479 7.528 1.00 0.68 C ATOM 1581 C GLU A 103 12.068 -9.742 7.045 1.00 0.54 C ATOM 1582 O GLU A 103 11.706 -10.859 6.686 1.00 0.61 O ATOM 1583 CB GLU A 103 13.560 -9.495 9.065 1.00 0.95 C ATOM 1584 CG GLU A 103 13.050 -8.214 9.716 1.00 1.37 C ATOM 1585 CD GLU A 103 13.096 -8.260 11.231 1.00 2.16 C ATOM 1586 OE1 GLU A 103 14.207 -8.226 11.798 1.00 2.58 O ATOM 1587 OE2 GLU A 103 12.027 -8.346 11.862 1.00 2.68 O ATOM 0 H GLU A 103 13.816 -7.419 7.672 1.00 0.74 H new ATOM 0 HA GLU A 103 14.139 -10.270 7.151 1.00 0.68 H new ATOM 0 HB2 GLU A 103 12.978 -10.338 9.437 1.00 0.95 H new ATOM 0 HB3 GLU A 103 14.593 -9.661 9.371 1.00 0.95 H new ATOM 0 HG2 GLU A 103 13.647 -7.372 9.365 1.00 1.37 H new ATOM 0 HG3 GLU A 103 12.024 -8.033 9.395 1.00 1.37 H new ATOM 1594 N VAL A 104 11.284 -8.679 7.029 1.00 0.40 N ATOM 1595 CA VAL A 104 9.884 -8.730 6.670 1.00 0.33 C ATOM 1596 C VAL A 104 9.458 -7.343 6.203 1.00 0.29 C ATOM 1597 O VAL A 104 10.097 -6.354 6.558 1.00 0.34 O ATOM 1598 CB VAL A 104 9.019 -9.240 7.852 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.304 -8.471 9.129 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.541 -9.180 7.527 1.00 0.37 C ATOM 0 H VAL A 104 11.610 -7.743 7.269 1.00 0.40 H new ATOM 0 HA VAL A 104 9.733 -9.441 5.858 1.00 0.33 H new ATOM 0 HB VAL A 104 9.293 -10.283 8.013 1.00 0.38 H new ATOM 0 HG11 VAL A 104 8.679 -8.858 9.934 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.354 -8.588 9.397 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.084 -7.415 8.974 1.00 0.44 H new ATOM 0 HG21 VAL A 104 6.966 -9.545 8.378 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.257 -8.150 7.312 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.334 -9.802 6.656 1.00 0.37 H new ATOM 1610 N VAL A 105 8.414 -7.257 5.398 1.00 0.28 N ATOM 1611 CA VAL A 105 7.991 -5.984 4.851 1.00 0.28 C ATOM 1612 C VAL A 105 6.613 -5.595 5.343 1.00 0.26 C ATOM 1613 O VAL A 105 5.621 -6.291 5.128 1.00 0.26 O ATOM 1614 CB VAL A 105 8.049 -5.979 3.327 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.350 -4.758 2.770 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.498 -6.004 2.910 1.00 0.46 C ATOM 0 H VAL A 105 7.845 -8.053 5.110 1.00 0.28 H new ATOM 0 HA VAL A 105 8.695 -5.234 5.211 1.00 0.28 H new ATOM 0 HB VAL A 105 7.536 -6.856 2.932 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.403 -4.774 1.681 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.306 -4.762 3.083 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.837 -3.858 3.144 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.564 -6.001 1.822 1.00 0.46 H new ATOM 0 HG22 VAL A 105 10.006 -5.125 3.307 1.00 0.46 H new ATOM 0 HG23 VAL A 105 9.973 -6.904 3.300 1.00 0.46 H new ATOM 1626 N ARG A 106 6.603 -4.482 6.044 1.00 0.29 N ATOM 1627 CA ARG A 106 5.446 -4.021 6.760 1.00 0.28 C ATOM 1628 C ARG A 106 4.713 -2.931 5.997 1.00 0.26 C ATOM 1629 O ARG A 106 5.287 -1.897 5.664 1.00 0.32 O ATOM 1630 CB ARG A 106 5.901 -3.532 8.118 1.00 0.35 C ATOM 1631 CG ARG A 106 6.505 -4.633 8.973 1.00 0.43 C ATOM 1632 CD ARG A 106 7.938 -4.984 8.557 1.00 0.54 C ATOM 1633 NE ARG A 106 8.779 -5.305 9.712 1.00 0.81 N ATOM 1634 CZ ARG A 106 10.104 -5.132 9.754 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.764 -4.773 8.658 1.00 1.76 N ATOM 1636 NH2 ARG A 106 10.775 -5.377 10.873 1.00 1.46 N ATOM 0 H ARG A 106 7.412 -3.867 6.130 1.00 0.29 H new ATOM 0 HA ARG A 106 4.736 -4.840 6.878 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.636 -2.738 7.985 1.00 0.35 H new ATOM 0 HB3 ARG A 106 5.052 -3.095 8.644 1.00 0.35 H new ATOM 0 HG2 ARG A 106 6.500 -4.321 10.017 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.882 -5.525 8.904 1.00 0.43 H new ATOM 0 HD2 ARG A 106 7.920 -5.833 7.874 1.00 0.54 H new ATOM 0 HD3 ARG A 106 8.373 -4.146 8.013 1.00 0.54 H new ATOM 0 HE ARG A 106 8.323 -5.686 10.541 1.00 0.81 H new ATOM 0 HH11 ARG A 106 10.260 -4.629 7.783 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.775 -4.641 8.692 1.00 1.76 H new ATOM 0 HH21 ARG A 106 10.280 -5.698 11.705 1.00 1.46 H new ATOM 0 HH22 ARG A 106 11.786 -5.244 10.901 1.00 1.46 H new ATOM 1650 N LEU A 107 3.449 -3.161 5.745 1.00 0.24 N ATOM 1651 CA LEU A 107 2.634 -2.222 4.984 1.00 0.24 C ATOM 1652 C LEU A 107 1.307 -1.960 5.692 1.00 0.21 C ATOM 1653 O LEU A 107 0.579 -2.896 6.022 1.00 0.28 O ATOM 1654 CB LEU A 107 2.378 -2.778 3.581 1.00 0.37 C ATOM 1655 CG LEU A 107 1.660 -1.832 2.624 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.577 -0.689 2.213 1.00 0.98 C ATOM 1657 CD2 LEU A 107 1.164 -2.598 1.406 1.00 1.12 C ATOM 0 H LEU A 107 2.950 -3.995 6.055 1.00 0.24 H new ATOM 0 HA LEU A 107 3.173 -1.278 4.906 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.334 -3.058 3.139 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.790 -3.691 3.672 1.00 0.37 H new ATOM 0 HG LEU A 107 0.798 -1.402 3.135 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.047 -0.025 1.530 1.00 0.98 H new ATOM 0 HD12 LEU A 107 2.882 -0.131 3.098 1.00 0.98 H new ATOM 0 HD13 LEU A 107 3.460 -1.091 1.716 1.00 0.98 H new ATOM 0 HD21 LEU A 107 0.653 -1.914 0.729 1.00 1.12 H new ATOM 0 HD22 LEU A 107 2.011 -3.052 0.892 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.472 -3.378 1.724 1.00 1.12 H new ATOM 1669 N LEU A 108 0.998 -0.696 5.939 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.296 -0.324 6.467 1.00 0.15 C ATOM 1671 C LEU A 108 -1.062 0.354 5.364 1.00 0.15 C ATOM 1672 O LEU A 108 -0.611 1.349 4.816 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.137 0.606 7.666 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.416 1.261 8.193 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.445 0.200 8.555 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -1.090 2.110 9.413 1.00 0.26 C ATOM 0 H LEU A 108 1.631 0.088 5.780 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.835 -1.207 6.811 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.317 0.040 8.479 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.565 1.395 7.396 1.00 0.19 H new ATOM 0 HG LEU A 108 -1.835 1.897 7.413 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.349 0.682 8.928 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.687 -0.389 7.670 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -2.038 -0.454 9.326 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -2.002 2.575 9.787 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.660 1.479 10.191 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.374 2.884 9.137 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.198 -0.194 5.019 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.921 0.276 3.872 1.00 0.21 C ATOM 1690 C VAL A 109 -4.374 0.468 4.204 1.00 0.22 C ATOM 1691 O VAL A 109 -4.922 -0.192 5.082 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.763 -0.717 2.698 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -3.962 -1.646 2.555 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -2.485 0.023 1.410 1.00 0.77 C ATOM 0 H VAL A 109 -2.640 -0.966 5.517 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.508 1.240 3.574 1.00 0.21 H new ATOM 0 HB VAL A 109 -1.906 -1.352 2.925 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -3.800 -2.323 1.716 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -4.085 -2.225 3.470 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.861 -1.055 2.376 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -2.377 -0.693 0.595 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -3.313 0.698 1.192 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -1.565 0.598 1.512 1.00 0.77 H new ATOM 1704 N THR A 110 -4.980 1.396 3.527 1.00 0.22 N ATOM 1705 CA THR A 110 -6.405 1.518 3.576 1.00 0.25 C ATOM 1706 C THR A 110 -7.013 0.789 2.394 1.00 0.26 C ATOM 1707 O THR A 110 -6.786 1.143 1.236 1.00 0.30 O ATOM 1708 CB THR A 110 -6.842 2.967 3.549 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.711 3.833 3.661 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.803 3.239 4.673 1.00 0.33 C ATOM 0 H THR A 110 -4.510 2.080 2.934 1.00 0.22 H new ATOM 0 HA THR A 110 -6.749 1.078 4.512 1.00 0.25 H new ATOM 0 HB THR A 110 -7.339 3.159 2.598 1.00 0.30 H new ATOM 0 HG1 THR A 110 -5.662 4.191 4.572 1.00 0.34 H new ATOM 0 HG21 THR A 110 -8.111 4.284 4.644 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.679 2.600 4.565 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.317 3.030 5.626 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.779 -0.232 2.718 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.268 -1.194 1.759 1.00 0.37 C ATOM 1720 C ARG A 111 -9.769 -1.049 1.568 1.00 0.42 C ATOM 1721 O ARG A 111 -10.506 -0.811 2.523 1.00 0.49 O ATOM 1722 CB ARG A 111 -7.880 -2.569 2.289 1.00 0.53 C ATOM 1723 CG ARG A 111 -8.729 -3.744 1.864 1.00 0.47 C ATOM 1724 CD ARG A 111 -8.104 -5.015 2.423 1.00 0.58 C ATOM 1725 NE ARG A 111 -8.886 -6.229 2.201 1.00 1.06 N ATOM 1726 CZ ARG A 111 -8.349 -7.453 2.215 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -7.027 -7.602 2.276 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -9.128 -8.527 2.152 1.00 2.01 N ATOM 0 H ARG A 111 -8.083 -0.418 3.674 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.830 -1.038 0.773 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -6.852 -2.769 1.986 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -7.888 -2.524 3.378 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -9.748 -3.629 2.233 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -8.787 -3.796 0.777 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -7.119 -5.147 1.975 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -7.952 -4.888 3.495 1.00 0.58 H new ATOM 0 HE ARG A 111 -9.887 -6.138 2.027 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -6.422 -6.781 2.312 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -6.619 -8.537 2.287 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -10.141 -8.420 2.093 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -8.714 -9.459 2.163 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.216 -1.168 0.331 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.619 -0.981 0.026 1.00 0.71 C ATOM 1744 C GLN A 112 -12.249 -2.213 -0.577 1.00 0.89 C ATOM 1745 O GLN A 112 -12.725 -3.092 0.141 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.859 0.239 -0.874 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.727 0.593 -1.830 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.620 1.400 -1.164 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -9.782 2.602 -0.931 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -8.458 0.790 -0.951 1.00 0.66 N ATOM 0 H GLN A 112 -9.630 -1.392 -0.473 1.00 0.56 H new ATOM 0 HA GLN A 112 -12.107 -0.795 0.983 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.761 0.063 -1.459 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -12.055 1.102 -0.238 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -10.305 -0.324 -2.241 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -11.130 1.161 -2.668 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -8.359 -0.205 -1.155 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.665 1.317 -0.584 1.00 0.66 H new ATOM 1759 N SER A 113 -12.223 -2.298 -1.882 1.00 0.79 N ATOM 1760 CA SER A 113 -13.077 -3.240 -2.569 1.00 0.96 C ATOM 1761 C SER A 113 -12.483 -3.711 -3.889 1.00 0.89 C ATOM 1762 O SER A 113 -13.195 -3.867 -4.879 1.00 1.18 O ATOM 1763 CB SER A 113 -14.436 -2.582 -2.794 1.00 1.25 C ATOM 1764 OG SER A 113 -15.200 -2.543 -1.598 1.00 1.62 O ATOM 0 H SER A 113 -11.627 -1.734 -2.488 1.00 0.79 H new ATOM 0 HA SER A 113 -13.182 -4.130 -1.949 1.00 0.96 H new ATOM 0 HB2 SER A 113 -14.293 -1.568 -3.169 1.00 1.25 H new ATOM 0 HB3 SER A 113 -14.985 -3.131 -3.560 1.00 1.25 H new ATOM 0 HG SER A 113 -16.063 -2.114 -1.775 1.00 1.62 H new ATOM 1770 N LEU A 114 -11.190 -3.978 -3.887 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.524 -4.482 -5.081 1.00 0.94 C ATOM 1772 C LEU A 114 -10.271 -5.979 -4.930 1.00 1.13 C ATOM 1773 O LEU A 114 -9.713 -6.619 -5.820 1.00 1.65 O ATOM 1774 CB LEU A 114 -9.189 -3.767 -5.335 1.00 0.90 C ATOM 1775 CG LEU A 114 -9.174 -2.237 -5.196 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -10.416 -1.609 -5.810 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -9.011 -1.825 -3.739 1.00 1.23 C ATOM 0 H LEU A 114 -10.580 -3.856 -3.079 1.00 0.90 H new ATOM 0 HA LEU A 114 -11.177 -4.290 -5.932 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.450 -4.176 -4.646 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -8.858 -4.018 -6.343 1.00 0.90 H new ATOM 0 HG LEU A 114 -8.313 -1.863 -5.750 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -10.372 -0.526 -5.693 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -10.464 -1.858 -6.870 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -11.304 -1.992 -5.307 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -9.003 -0.737 -3.667 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -9.841 -2.222 -3.154 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -8.072 -2.221 -3.352 1.00 1.23 H new