USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 667 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 70 ASN : amide:sc= -1.83 X(o=-2.8,f=-2.5) USER MOD Set 1.2: A 82 TYR OH : rot 120:sc= -1.01 USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= -0.536 USER MOD Set 2.2: A 77 ASN : amide:sc= -0.0626 K(o=-0.6,f=-3!) USER MOD Set 3.1: A 58 SER OG : rot -38:sc= 0.261 USER MOD Set 3.2: A 73 GLN :FLIP amide:sc= -1.63! C(o=-2.9!,f=-1.4!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00913 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0384 USER MOD Single : A 23 SER OG : rot -27:sc= 0.0819 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 33 SER OG : rot 40:sc= 0.109 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0639 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0447 USER MOD Single : A 59 MET CE :methyl 158:sc= -0.268 (180deg=-1.42) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 94:sc= 0.542 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= -0.161 (180deg=-0.221) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -172:sc=-0.00792 (180deg=-0.102) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 114 N ALA A 9 -5.494 5.198 -14.217 1.00 5.31 N ATOM 115 CA ALA A 9 -6.417 6.252 -14.618 1.00 14.03 C ATOM 116 C ALA A 9 -6.801 6.116 -16.087 1.00 51.03 C ATOM 117 O ALA A 9 -6.622 7.046 -16.874 1.00 15.22 O ATOM 118 CB ALA A 9 -5.805 7.620 -14.355 1.00 24.44 C ATOM 0 HA ALA A 9 -7.324 6.152 -14.021 1.00 14.03 H new ATOM 0 HB1 ALA A 9 -6.506 8.397 -14.660 1.00 24.44 H new ATOM 0 HB2 ALA A 9 -5.588 7.723 -13.292 1.00 24.44 H new ATOM 0 HB3 ALA A 9 -4.881 7.721 -14.925 1.00 24.44 H new ATOM 124 N ARG A 10 -7.328 4.951 -16.451 1.00 51.52 N ATOM 125 CA ARG A 10 -7.735 4.694 -17.827 1.00 61.32 C ATOM 126 C ARG A 10 -9.192 4.245 -17.888 1.00 60.43 C ATOM 127 O ARG A 10 -10.026 4.894 -18.519 1.00 12.13 O ATOM 128 CB ARG A 10 -6.835 3.629 -18.457 1.00 30.45 C ATOM 129 CG ARG A 10 -7.293 3.182 -19.835 1.00 63.14 C ATOM 130 CD ARG A 10 -8.066 1.874 -19.769 1.00 50.22 C ATOM 131 NE ARG A 10 -7.954 1.109 -21.008 1.00 22.42 N ATOM 132 CZ ARG A 10 -6.834 0.514 -21.406 1.00 13.54 C ATOM 133 NH1 ARG A 10 -5.737 0.597 -20.666 1.00 31.01 N ATOM 134 NH2 ARG A 10 -6.811 -0.164 -22.545 1.00 60.45 N ATOM 0 H ARG A 10 -7.483 4.171 -15.812 1.00 51.52 H new ATOM 0 HA ARG A 10 -7.635 5.623 -18.389 1.00 61.32 H new ATOM 0 HB2 ARG A 10 -5.820 4.020 -18.530 1.00 30.45 H new ATOM 0 HB3 ARG A 10 -6.796 2.762 -17.797 1.00 30.45 H new ATOM 0 HG2 ARG A 10 -7.921 3.955 -20.279 1.00 63.14 H new ATOM 0 HG3 ARG A 10 -6.427 3.062 -20.486 1.00 63.14 H new ATOM 0 HD2 ARG A 10 -7.694 1.275 -18.938 1.00 50.22 H new ATOM 0 HD3 ARG A 10 -9.116 2.083 -19.566 1.00 50.22 H new ATOM 0 HE ARG A 10 -8.780 1.027 -21.600 1.00 22.42 H new ATOM 0 HH11 ARG A 10 -5.751 1.118 -19.789 1.00 31.01 H new ATOM 0 HH12 ARG A 10 -4.879 0.140 -20.973 1.00 31.01 H new ATOM 0 HH21 ARG A 10 -7.653 -0.229 -23.117 1.00 60.45 H new ATOM 0 HH22 ARG A 10 -5.951 -0.620 -22.850 1.00 60.45 H new ATOM 148 N SER A 11 -9.490 3.129 -17.229 1.00 53.44 N ATOM 149 CA SER A 11 -10.845 2.591 -17.212 1.00 73.12 C ATOM 150 C SER A 11 -11.619 3.105 -16.002 1.00 51.53 C ATOM 151 O SER A 11 -11.270 2.816 -14.859 1.00 5.22 O ATOM 152 CB SER A 11 -10.809 1.061 -17.196 1.00 3.53 C ATOM 153 OG SER A 11 -11.678 0.520 -18.175 1.00 13.01 O ATOM 0 H SER A 11 -8.812 2.581 -16.700 1.00 53.44 H new ATOM 0 HA SER A 11 -11.354 2.926 -18.116 1.00 73.12 H new ATOM 0 HB2 SER A 11 -9.791 0.716 -17.378 1.00 3.53 H new ATOM 0 HB3 SER A 11 -11.097 0.698 -16.209 1.00 3.53 H new ATOM 0 HG SER A 11 -11.635 -0.459 -18.145 1.00 13.01 H new ATOM 159 N GLY A 12 -12.674 3.871 -16.264 1.00 50.42 N ATOM 160 CA GLY A 12 -13.482 4.415 -15.188 1.00 4.01 C ATOM 161 C GLY A 12 -13.732 5.902 -15.345 1.00 22.22 C ATOM 162 O GLY A 12 -13.627 6.443 -16.444 1.00 41.44 O ATOM 0 H GLY A 12 -12.983 4.124 -17.202 1.00 50.42 H new ATOM 0 HA2 GLY A 12 -14.437 3.891 -15.154 1.00 4.01 H new ATOM 0 HA3 GLY A 12 -12.984 4.232 -14.236 1.00 4.01 H new ATOM 166 N GLY A 13 -14.066 6.564 -14.241 1.00 42.12 N ATOM 167 CA GLY A 13 -14.328 7.991 -14.283 1.00 75.31 C ATOM 168 C GLY A 13 -13.153 8.811 -13.791 1.00 10.43 C ATOM 169 O GLY A 13 -12.069 8.278 -13.553 1.00 33.32 O ATOM 0 H GLY A 13 -14.160 6.138 -13.319 1.00 42.12 H new ATOM 0 HA2 GLY A 13 -14.568 8.283 -15.305 1.00 75.31 H new ATOM 0 HA3 GLY A 13 -15.204 8.215 -13.674 1.00 75.31 H new ATOM 173 N LYS A 14 -13.365 10.114 -13.638 1.00 55.14 N ATOM 174 CA LYS A 14 -12.315 11.012 -13.172 1.00 35.33 C ATOM 175 C LYS A 14 -12.894 12.113 -12.289 1.00 23.23 C ATOM 176 O LYS A 14 -13.921 12.708 -12.614 1.00 31.10 O ATOM 177 CB LYS A 14 -11.579 11.631 -14.362 1.00 15.42 C ATOM 178 CG LYS A 14 -10.088 11.343 -14.372 1.00 12.33 C ATOM 179 CD LYS A 14 -9.441 11.798 -15.669 1.00 50.21 C ATOM 180 CE LYS A 14 -7.970 12.131 -15.471 1.00 71.04 C ATOM 181 NZ LYS A 14 -7.782 13.486 -14.883 1.00 32.12 N ATOM 0 H LYS A 14 -14.256 10.572 -13.830 1.00 55.14 H new ATOM 0 HA LYS A 14 -11.609 10.429 -12.580 1.00 35.33 H new ATOM 0 HB2 LYS A 14 -12.019 11.256 -15.286 1.00 15.42 H new ATOM 0 HB3 LYS A 14 -11.732 12.710 -14.352 1.00 15.42 H new ATOM 0 HG2 LYS A 14 -9.613 11.848 -13.531 1.00 12.33 H new ATOM 0 HG3 LYS A 14 -9.922 10.274 -14.237 1.00 12.33 H new ATOM 0 HD2 LYS A 14 -9.540 11.015 -16.421 1.00 50.21 H new ATOM 0 HD3 LYS A 14 -9.965 12.674 -16.051 1.00 50.21 H new ATOM 0 HE2 LYS A 14 -7.514 11.386 -14.819 1.00 71.04 H new ATOM 0 HE3 LYS A 14 -7.453 12.076 -16.429 1.00 71.04 H new ATOM 0 HZ1 LYS A 14 -6.766 13.675 -14.764 1.00 32.12 H new ATOM 0 HZ2 LYS A 14 -8.195 14.200 -15.517 1.00 32.12 H new ATOM 0 HZ3 LYS A 14 -8.253 13.531 -13.957 1.00 32.12 H new ATOM 195 N VAL A 15 -12.226 12.380 -11.171 1.00 14.24 N ATOM 196 CA VAL A 15 -12.673 13.412 -10.242 1.00 63.10 C ATOM 197 C VAL A 15 -11.494 14.219 -9.710 1.00 12.43 C ATOM 198 O VAL A 15 -10.426 13.673 -9.434 1.00 63.52 O ATOM 199 CB VAL A 15 -13.442 12.803 -9.055 1.00 11.45 C ATOM 200 CG1 VAL A 15 -12.579 11.786 -8.324 1.00 11.12 C ATOM 201 CG2 VAL A 15 -13.910 13.897 -8.106 1.00 45.33 C ATOM 0 H VAL A 15 -11.374 11.897 -10.887 1.00 14.24 H new ATOM 0 HA VAL A 15 -13.340 14.071 -10.797 1.00 63.10 H new ATOM 0 HB VAL A 15 -14.321 12.287 -9.441 1.00 11.45 H new ATOM 0 HG11 VAL A 15 -13.140 11.367 -7.489 1.00 11.12 H new ATOM 0 HG12 VAL A 15 -12.298 10.987 -9.010 1.00 11.12 H new ATOM 0 HG13 VAL A 15 -11.680 12.275 -7.949 1.00 11.12 H new ATOM 0 HG21 VAL A 15 -14.452 13.449 -7.273 1.00 45.33 H new ATOM 0 HG22 VAL A 15 -13.046 14.443 -7.726 1.00 45.33 H new ATOM 0 HG23 VAL A 15 -14.568 14.584 -8.639 1.00 45.33 H new ATOM 211 N THR A 16 -11.695 15.526 -9.566 1.00 74.33 N ATOM 212 CA THR A 16 -10.650 16.410 -9.067 1.00 63.25 C ATOM 213 C THR A 16 -10.991 16.936 -7.678 1.00 52.33 C ATOM 214 O THR A 16 -12.161 17.010 -7.302 1.00 11.52 O ATOM 215 CB THR A 16 -10.424 17.603 -10.015 1.00 3.10 C ATOM 216 OG1 THR A 16 -9.329 18.399 -9.548 1.00 65.31 O ATOM 217 CG2 THR A 16 -11.676 18.462 -10.112 1.00 63.31 C ATOM 0 H THR A 16 -12.573 15.995 -9.788 1.00 74.33 H new ATOM 0 HA THR A 16 -9.735 15.820 -9.014 1.00 63.25 H new ATOM 0 HB THR A 16 -10.193 17.212 -11.006 1.00 3.10 H new ATOM 0 HG1 THR A 16 -9.191 19.154 -10.157 1.00 65.31 H new ATOM 0 HG21 THR A 16 -11.492 19.298 -10.787 1.00 63.31 H new ATOM 0 HG22 THR A 16 -12.501 17.861 -10.495 1.00 63.31 H new ATOM 0 HG23 THR A 16 -11.933 18.843 -9.124 1.00 63.31 H new ATOM 225 N PHE A 17 -9.963 17.302 -6.920 1.00 30.42 N ATOM 226 CA PHE A 17 -10.155 17.822 -5.571 1.00 23.51 C ATOM 227 C PHE A 17 -9.212 18.990 -5.299 1.00 40.24 C ATOM 228 O PHE A 17 -8.007 18.896 -5.532 1.00 43.42 O ATOM 229 CB PHE A 17 -9.925 16.716 -4.538 1.00 54.11 C ATOM 230 CG PHE A 17 -11.040 16.589 -3.539 1.00 62.52 C ATOM 231 CD1 PHE A 17 -12.196 15.894 -3.856 1.00 52.33 C ATOM 232 CD2 PHE A 17 -10.931 17.163 -2.283 1.00 52.41 C ATOM 233 CE1 PHE A 17 -13.223 15.775 -2.939 1.00 75.33 C ATOM 234 CE2 PHE A 17 -11.955 17.047 -1.362 1.00 22.31 C ATOM 235 CZ PHE A 17 -13.103 16.353 -1.691 1.00 21.42 C ATOM 0 H PHE A 17 -8.989 17.248 -7.217 1.00 30.42 H new ATOM 0 HA PHE A 17 -11.181 18.179 -5.489 1.00 23.51 H new ATOM 0 HB2 PHE A 17 -9.802 15.765 -5.056 1.00 54.11 H new ATOM 0 HB3 PHE A 17 -8.993 16.913 -4.008 1.00 54.11 H new ATOM 0 HD1 PHE A 17 -12.296 15.440 -4.831 1.00 52.33 H new ATOM 0 HD2 PHE A 17 -10.036 17.707 -2.021 1.00 52.41 H new ATOM 0 HE1 PHE A 17 -14.119 15.230 -3.198 1.00 75.33 H new ATOM 0 HE2 PHE A 17 -11.858 17.499 -0.386 1.00 22.31 H new ATOM 0 HZ PHE A 17 -13.905 16.263 -0.973 1.00 21.42 H new ATOM 245 N ARG A 18 -9.770 20.091 -4.806 1.00 74.22 N ATOM 246 CA ARG A 18 -8.981 21.279 -4.504 1.00 61.35 C ATOM 247 C ARG A 18 -8.738 21.403 -3.003 1.00 42.12 C ATOM 248 O ARG A 18 -9.681 21.420 -2.211 1.00 44.33 O ATOM 249 CB ARG A 18 -9.688 22.532 -5.023 1.00 40.20 C ATOM 250 CG ARG A 18 -10.135 22.424 -6.472 1.00 4.21 C ATOM 251 CD ARG A 18 -11.587 21.985 -6.576 1.00 23.11 C ATOM 252 NE ARG A 18 -12.366 22.871 -7.436 1.00 73.23 N ATOM 253 CZ ARG A 18 -12.736 24.098 -7.086 1.00 21.52 C ATOM 254 NH1 ARG A 18 -12.398 24.581 -5.898 1.00 52.44 N ATOM 255 NH2 ARG A 18 -13.444 24.843 -7.924 1.00 15.31 N ATOM 0 H ARG A 18 -10.766 20.185 -4.607 1.00 74.22 H new ATOM 0 HA ARG A 18 -8.017 21.181 -5.003 1.00 61.35 H new ATOM 0 HB2 ARG A 18 -10.558 22.733 -4.398 1.00 40.20 H new ATOM 0 HB3 ARG A 18 -9.018 23.385 -4.921 1.00 40.20 H new ATOM 0 HG2 ARG A 18 -10.009 23.388 -6.966 1.00 4.21 H new ATOM 0 HG3 ARG A 18 -9.500 21.711 -6.998 1.00 4.21 H new ATOM 0 HD2 ARG A 18 -11.631 20.969 -6.967 1.00 23.11 H new ATOM 0 HD3 ARG A 18 -12.031 21.963 -5.581 1.00 23.11 H new ATOM 0 HE ARG A 18 -12.641 22.529 -8.357 1.00 73.23 H new ATOM 0 HH11 ARG A 18 -11.853 24.010 -5.252 1.00 52.44 H new ATOM 0 HH12 ARG A 18 -12.683 25.523 -5.631 1.00 52.44 H new ATOM 0 HH21 ARG A 18 -13.705 24.474 -8.838 1.00 15.31 H new ATOM 0 HH22 ARG A 18 -13.728 25.785 -7.654 1.00 15.31 H new ATOM 269 N ILE A 19 -7.469 21.489 -2.620 1.00 5.02 N ATOM 270 CA ILE A 19 -7.102 21.612 -1.214 1.00 53.34 C ATOM 271 C ILE A 19 -6.271 22.867 -0.971 1.00 12.41 C ATOM 272 O ILE A 19 -5.304 23.132 -1.686 1.00 54.20 O ATOM 273 CB ILE A 19 -6.310 20.384 -0.729 1.00 73.31 C ATOM 274 CG1 ILE A 19 -5.858 20.581 0.719 1.00 22.11 C ATOM 275 CG2 ILE A 19 -5.113 20.134 -1.634 1.00 74.24 C ATOM 276 CD1 ILE A 19 -6.999 20.834 1.679 1.00 3.35 C ATOM 0 H ILE A 19 -6.677 21.476 -3.263 1.00 5.02 H new ATOM 0 HA ILE A 19 -8.032 21.680 -0.650 1.00 53.34 H new ATOM 0 HB ILE A 19 -6.961 19.511 -0.771 1.00 73.31 H new ATOM 0 HG12 ILE A 19 -5.310 19.696 1.044 1.00 22.11 H new ATOM 0 HG13 ILE A 19 -5.164 21.420 0.763 1.00 22.11 H new ATOM 0 HG21 ILE A 19 -4.563 19.263 -1.278 1.00 74.24 H new ATOM 0 HG22 ILE A 19 -5.458 19.954 -2.652 1.00 74.24 H new ATOM 0 HG23 ILE A 19 -4.459 21.006 -1.621 1.00 74.24 H new ATOM 0 HD11 ILE A 19 -6.605 20.964 2.687 1.00 3.35 H new ATOM 0 HD12 ILE A 19 -7.534 21.735 1.379 1.00 3.35 H new ATOM 0 HD13 ILE A 19 -7.682 19.985 1.664 1.00 3.35 H new ATOM 288 N ILE A 20 -6.653 23.636 0.044 1.00 74.34 N ATOM 289 CA ILE A 20 -5.942 24.862 0.383 1.00 24.53 C ATOM 290 C ILE A 20 -4.985 24.636 1.549 1.00 44.50 C ATOM 291 O ILE A 20 -5.402 24.266 2.647 1.00 73.11 O ATOM 292 CB ILE A 20 -6.917 25.997 0.746 1.00 20.22 C ATOM 293 CG1 ILE A 20 -8.017 26.112 -0.312 1.00 25.45 C ATOM 294 CG2 ILE A 20 -6.168 27.314 0.885 1.00 35.02 C ATOM 295 CD1 ILE A 20 -7.493 26.422 -1.696 1.00 62.13 C ATOM 0 H ILE A 20 -7.451 23.431 0.645 1.00 74.34 H new ATOM 0 HA ILE A 20 -5.374 25.152 -0.501 1.00 24.53 H new ATOM 0 HB ILE A 20 -7.383 25.764 1.703 1.00 20.22 H new ATOM 0 HG12 ILE A 20 -8.577 25.178 -0.345 1.00 25.45 H new ATOM 0 HG13 ILE A 20 -8.717 26.893 -0.014 1.00 25.45 H new ATOM 0 HG21 ILE A 20 -6.871 28.107 1.142 1.00 35.02 H new ATOM 0 HG22 ILE A 20 -5.418 27.225 1.671 1.00 35.02 H new ATOM 0 HG23 ILE A 20 -5.678 27.555 -0.058 1.00 35.02 H new ATOM 0 HD11 ILE A 20 -8.327 26.489 -2.394 1.00 62.13 H new ATOM 0 HD12 ILE A 20 -6.957 27.371 -1.678 1.00 62.13 H new ATOM 0 HD13 ILE A 20 -6.816 25.629 -2.015 1.00 62.13 H new ATOM 307 N LEU A 21 -3.699 24.864 1.304 1.00 10.41 N ATOM 308 CA LEU A 21 -2.681 24.689 2.334 1.00 31.42 C ATOM 309 C LEU A 21 -2.393 26.007 3.046 1.00 71.32 C ATOM 310 O LEU A 21 -2.356 27.067 2.421 1.00 13.41 O ATOM 311 CB LEU A 21 -1.394 24.136 1.718 1.00 13.55 C ATOM 312 CG LEU A 21 -1.549 22.892 0.844 1.00 60.12 C ATOM 313 CD1 LEU A 21 -2.566 21.937 1.449 1.00 13.10 C ATOM 314 CD2 LEU A 21 -1.955 23.281 -0.570 1.00 72.22 C ATOM 0 H LEU A 21 -3.337 25.170 0.401 1.00 10.41 H new ATOM 0 HA LEU A 21 -3.060 23.978 3.068 1.00 31.42 H new ATOM 0 HB2 LEU A 21 -0.935 24.922 1.118 1.00 13.55 H new ATOM 0 HB3 LEU A 21 -0.699 23.904 2.525 1.00 13.55 H new ATOM 0 HG LEU A 21 -0.587 22.382 0.797 1.00 60.12 H new ATOM 0 HD11 LEU A 21 -2.663 21.057 0.813 1.00 13.10 H new ATOM 0 HD12 LEU A 21 -2.233 21.632 2.441 1.00 13.10 H new ATOM 0 HD13 LEU A 21 -3.532 22.436 1.527 1.00 13.10 H new ATOM 0 HD21 LEU A 21 -2.061 22.383 -1.178 1.00 72.22 H new ATOM 0 HD22 LEU A 21 -2.905 23.814 -0.542 1.00 72.22 H new ATOM 0 HD23 LEU A 21 -1.190 23.925 -1.004 1.00 72.22 H new ATOM 326 N THR A 22 -2.187 25.933 4.357 1.00 31.11 N ATOM 327 CA THR A 22 -1.901 27.119 5.154 1.00 50.22 C ATOM 328 C THR A 22 -0.400 27.310 5.336 1.00 43.41 C ATOM 329 O THR A 22 0.070 28.425 5.566 1.00 64.42 O ATOM 330 CB THR A 22 -2.569 27.040 6.540 1.00 63.43 C ATOM 331 OG1 THR A 22 -3.208 25.769 6.703 1.00 22.33 O ATOM 332 CG2 THR A 22 -3.591 28.153 6.713 1.00 63.12 C ATOM 0 H THR A 22 -2.213 25.063 4.890 1.00 31.11 H new ATOM 0 HA THR A 22 -2.310 27.971 4.610 1.00 50.22 H new ATOM 0 HB THR A 22 -1.796 27.158 7.299 1.00 63.43 H new ATOM 0 HG1 THR A 22 -3.629 25.725 7.587 1.00 22.33 H new ATOM 0 HG21 THR A 22 -4.049 28.076 7.699 1.00 63.12 H new ATOM 0 HG22 THR A 22 -3.096 29.119 6.617 1.00 63.12 H new ATOM 0 HG23 THR A 22 -4.361 28.062 5.947 1.00 63.12 H new ATOM 340 N SER A 23 0.349 26.217 5.231 1.00 75.21 N ATOM 341 CA SER A 23 1.798 26.264 5.387 1.00 14.22 C ATOM 342 C SER A 23 2.484 26.452 4.037 1.00 33.44 C ATOM 343 O SER A 23 3.659 26.810 3.972 1.00 51.23 O ATOM 344 CB SER A 23 2.302 24.983 6.055 1.00 52.41 C ATOM 345 OG SER A 23 3.673 25.091 6.394 1.00 4.24 O ATOM 0 H SER A 23 -0.024 25.287 5.038 1.00 75.21 H new ATOM 0 HA SER A 23 2.043 27.116 6.021 1.00 14.22 H new ATOM 0 HB2 SER A 23 1.717 24.783 6.952 1.00 52.41 H new ATOM 0 HB3 SER A 23 2.156 24.137 5.383 1.00 52.41 H new ATOM 0 HG SER A 23 4.113 25.717 5.782 1.00 4.24 H new ATOM 351 N GLU A 24 1.740 26.206 2.963 1.00 31.23 N ATOM 352 CA GLU A 24 2.277 26.346 1.615 1.00 54.52 C ATOM 353 C GLU A 24 1.822 27.659 0.982 1.00 33.43 C ATOM 354 O GLU A 24 1.106 27.662 -0.019 1.00 72.32 O ATOM 355 CB GLU A 24 1.839 25.168 0.742 1.00 11.22 C ATOM 356 CG GLU A 24 2.805 24.857 -0.389 1.00 33.54 C ATOM 357 CD GLU A 24 3.058 23.370 -0.546 1.00 72.25 C ATOM 358 OE1 GLU A 24 2.783 22.835 -1.641 1.00 34.31 O ATOM 359 OE2 GLU A 24 3.531 22.742 0.424 1.00 74.44 O ATOM 0 H GLU A 24 0.765 25.909 3.000 1.00 31.23 H new ATOM 0 HA GLU A 24 3.365 26.353 1.684 1.00 54.52 H new ATOM 0 HB2 GLU A 24 1.729 24.283 1.369 1.00 11.22 H new ATOM 0 HB3 GLU A 24 0.857 25.384 0.321 1.00 11.22 H new ATOM 0 HG2 GLU A 24 2.406 25.255 -1.322 1.00 33.54 H new ATOM 0 HG3 GLU A 24 3.751 25.365 -0.204 1.00 33.54 H new ATOM 366 N ARG A 25 2.242 28.771 1.575 1.00 41.40 N ATOM 367 CA ARG A 25 1.877 30.090 1.071 1.00 20.15 C ATOM 368 C ARG A 25 2.466 30.324 -0.317 1.00 35.12 C ATOM 369 O ARG A 25 1.994 31.180 -1.065 1.00 64.15 O ATOM 370 CB ARG A 25 2.360 31.178 2.032 1.00 25.01 C ATOM 371 CG ARG A 25 1.253 31.770 2.889 1.00 42.14 C ATOM 372 CD ARG A 25 0.348 32.682 2.076 1.00 53.31 C ATOM 373 NE ARG A 25 -0.327 33.670 2.913 1.00 12.51 N ATOM 374 CZ ARG A 25 -1.053 34.672 2.428 1.00 33.50 C ATOM 375 NH1 ARG A 25 -1.198 34.816 1.118 1.00 30.11 N ATOM 376 NH2 ARG A 25 -1.637 35.530 3.254 1.00 1.51 N ATOM 0 H ARG A 25 2.835 28.786 2.405 1.00 41.40 H new ATOM 0 HA ARG A 25 0.790 30.136 0.998 1.00 20.15 H new ATOM 0 HB2 ARG A 25 3.128 30.761 2.683 1.00 25.01 H new ATOM 0 HB3 ARG A 25 2.829 31.976 1.457 1.00 25.01 H new ATOM 0 HG2 ARG A 25 0.662 30.966 3.328 1.00 42.14 H new ATOM 0 HG3 ARG A 25 1.691 32.331 3.714 1.00 42.14 H new ATOM 0 HD2 ARG A 25 0.938 33.193 1.315 1.00 53.31 H new ATOM 0 HD3 ARG A 25 -0.396 32.082 1.552 1.00 53.31 H new ATOM 0 HE ARG A 25 -0.236 33.587 3.926 1.00 12.51 H new ATOM 0 HH11 ARG A 25 -0.752 34.157 0.480 1.00 30.11 H new ATOM 0 HH12 ARG A 25 -1.756 35.586 0.748 1.00 30.11 H new ATOM 0 HH21 ARG A 25 -1.529 35.421 4.262 1.00 1.51 H new ATOM 0 HH22 ARG A 25 -2.194 36.299 2.881 1.00 1.51 H new ATOM 390 N SER A 26 3.498 29.558 -0.653 1.00 22.50 N ATOM 391 CA SER A 26 4.154 29.684 -1.949 1.00 41.22 C ATOM 392 C SER A 26 3.161 29.457 -3.085 1.00 0.50 C ATOM 393 O SER A 26 3.286 30.045 -4.159 1.00 3.21 O ATOM 394 CB SER A 26 5.309 28.687 -2.060 1.00 20.13 C ATOM 395 OG SER A 26 6.531 29.350 -2.332 1.00 3.23 O ATOM 0 H SER A 26 3.898 28.843 -0.046 1.00 22.50 H new ATOM 0 HA SER A 26 4.549 30.697 -2.031 1.00 41.22 H new ATOM 0 HB2 SER A 26 5.397 28.123 -1.132 1.00 20.13 H new ATOM 0 HB3 SER A 26 5.098 27.968 -2.851 1.00 20.13 H new ATOM 0 HG SER A 26 7.253 28.691 -2.396 1.00 3.23 H new ATOM 401 N GLN A 27 2.175 28.601 -2.838 1.00 40.03 N ATOM 402 CA GLN A 27 1.161 28.296 -3.840 1.00 74.42 C ATOM 403 C GLN A 27 0.080 27.388 -3.262 1.00 12.45 C ATOM 404 O GLN A 27 -0.053 26.223 -3.636 1.00 4.02 O ATOM 405 CB GLN A 27 1.802 27.631 -5.060 1.00 12.13 C ATOM 406 CG GLN A 27 0.815 27.326 -6.175 1.00 43.34 C ATOM 407 CD GLN A 27 1.174 26.070 -6.944 1.00 51.14 C ATOM 408 OE1 GLN A 27 1.263 24.983 -6.373 1.00 62.12 O ATOM 409 NE2 GLN A 27 1.382 26.213 -8.248 1.00 74.32 N ATOM 0 H GLN A 27 2.057 28.107 -1.954 1.00 40.03 H new ATOM 0 HA GLN A 27 0.697 29.233 -4.147 1.00 74.42 H new ATOM 0 HB2 GLN A 27 2.586 28.281 -5.448 1.00 12.13 H new ATOM 0 HB3 GLN A 27 2.282 26.704 -4.748 1.00 12.13 H new ATOM 0 HG2 GLN A 27 -0.183 27.215 -5.751 1.00 43.34 H new ATOM 0 HG3 GLN A 27 0.777 28.171 -6.863 1.00 43.34 H new ATOM 0 HE21 GLN A 27 1.297 27.133 -8.680 1.00 74.32 H new ATOM 0 HE22 GLN A 27 1.626 25.403 -8.817 1.00 74.32 H new ATOM 418 N PRO A 28 -0.712 27.933 -2.326 1.00 53.22 N ATOM 419 CA PRO A 28 -1.796 27.190 -1.676 1.00 1.21 C ATOM 420 C PRO A 28 -2.952 26.901 -2.627 1.00 33.23 C ATOM 421 O PRO A 28 -3.984 27.572 -2.588 1.00 20.33 O ATOM 422 CB PRO A 28 -2.247 28.130 -0.555 1.00 74.21 C ATOM 423 CG PRO A 28 -1.870 29.491 -1.027 1.00 43.40 C ATOM 424 CD PRO A 28 -0.612 29.317 -1.832 1.00 25.43 C ATOM 0 HA PRO A 28 -1.467 26.212 -1.324 1.00 1.21 H new ATOM 0 HB2 PRO A 28 -3.321 28.054 -0.383 1.00 74.21 H new ATOM 0 HB3 PRO A 28 -1.755 27.887 0.387 1.00 74.21 H new ATOM 0 HG2 PRO A 28 -2.664 29.927 -1.633 1.00 43.40 H new ATOM 0 HG3 PRO A 28 -1.705 30.164 -0.186 1.00 43.40 H new ATOM 0 HD2 PRO A 28 -0.557 30.033 -2.652 1.00 25.43 H new ATOM 0 HD3 PRO A 28 0.279 29.462 -1.221 1.00 25.43 H new ATOM 432 N PHE A 29 -2.774 25.898 -3.480 1.00 61.21 N ATOM 433 CA PHE A 29 -3.803 25.520 -4.442 1.00 10.03 C ATOM 434 C PHE A 29 -3.382 24.284 -5.232 1.00 1.25 C ATOM 435 O PHE A 29 -3.243 24.333 -6.454 1.00 5.33 O ATOM 436 CB PHE A 29 -4.086 26.679 -5.399 1.00 52.25 C ATOM 437 CG PHE A 29 -5.491 26.689 -5.930 1.00 73.32 C ATOM 438 CD1 PHE A 29 -5.752 26.337 -7.245 1.00 2.32 C ATOM 439 CD2 PHE A 29 -6.552 27.050 -5.114 1.00 65.35 C ATOM 440 CE1 PHE A 29 -7.044 26.345 -7.736 1.00 64.43 C ATOM 441 CE2 PHE A 29 -7.845 27.058 -5.600 1.00 54.42 C ATOM 442 CZ PHE A 29 -8.092 26.707 -6.913 1.00 64.30 C ATOM 0 H PHE A 29 -1.927 25.332 -3.525 1.00 61.21 H new ATOM 0 HA PHE A 29 -4.712 25.284 -3.890 1.00 10.03 H new ATOM 0 HB2 PHE A 29 -3.894 27.620 -4.884 1.00 52.25 H new ATOM 0 HB3 PHE A 29 -3.390 26.626 -6.236 1.00 52.25 H new ATOM 0 HD1 PHE A 29 -4.936 26.053 -7.893 1.00 2.32 H new ATOM 0 HD2 PHE A 29 -6.366 27.328 -4.087 1.00 65.35 H new ATOM 0 HE1 PHE A 29 -7.234 26.068 -8.763 1.00 64.43 H new ATOM 0 HE2 PHE A 29 -8.663 27.339 -4.953 1.00 54.42 H new ATOM 0 HZ PHE A 29 -9.102 26.716 -7.295 1.00 64.30 H new ATOM 452 N ARG A 30 -3.180 23.177 -4.524 1.00 15.41 N ATOM 453 CA ARG A 30 -2.774 21.929 -5.157 1.00 44.05 C ATOM 454 C ARG A 30 -3.988 21.064 -5.483 1.00 65.22 C ATOM 455 O ARG A 30 -4.706 20.621 -4.587 1.00 21.20 O ATOM 456 CB ARG A 30 -1.815 21.159 -4.247 1.00 43.33 C ATOM 457 CG ARG A 30 -1.094 20.019 -4.947 1.00 61.15 C ATOM 458 CD ARG A 30 -0.182 20.531 -6.052 1.00 30.45 C ATOM 459 NE ARG A 30 1.229 20.317 -5.739 1.00 74.04 N ATOM 460 CZ ARG A 30 2.225 20.769 -6.493 1.00 13.53 C ATOM 461 NH1 ARG A 30 1.966 21.457 -7.596 1.00 41.52 N ATOM 462 NH2 ARG A 30 3.483 20.534 -6.142 1.00 52.43 N ATOM 0 H ARG A 30 -3.291 23.120 -3.512 1.00 15.41 H new ATOM 0 HA ARG A 30 -2.263 22.173 -6.088 1.00 44.05 H new ATOM 0 HB2 ARG A 30 -1.076 21.851 -3.843 1.00 43.33 H new ATOM 0 HB3 ARG A 30 -2.373 20.759 -3.400 1.00 43.33 H new ATOM 0 HG2 ARG A 30 -0.507 19.458 -4.220 1.00 61.15 H new ATOM 0 HG3 ARG A 30 -1.825 19.329 -5.368 1.00 61.15 H new ATOM 0 HD2 ARG A 30 -0.427 20.027 -6.987 1.00 30.45 H new ATOM 0 HD3 ARG A 30 -0.362 21.595 -6.207 1.00 30.45 H new ATOM 0 HE ARG A 30 1.462 19.792 -4.896 1.00 74.04 H new ATOM 0 HH11 ARG A 30 1.000 21.641 -7.868 1.00 41.52 H new ATOM 0 HH12 ARG A 30 2.733 21.803 -8.173 1.00 41.52 H new ATOM 0 HH21 ARG A 30 3.685 20.006 -5.293 1.00 52.43 H new ATOM 0 HH22 ARG A 30 4.247 20.881 -6.721 1.00 52.43 H new ATOM 476 N VAL A 31 -4.211 20.827 -6.772 1.00 43.52 N ATOM 477 CA VAL A 31 -5.337 20.015 -7.217 1.00 2.13 C ATOM 478 C VAL A 31 -4.912 18.571 -7.455 1.00 71.44 C ATOM 479 O VAL A 31 -3.891 18.311 -8.092 1.00 62.44 O ATOM 480 CB VAL A 31 -5.958 20.576 -8.510 1.00 0.44 C ATOM 481 CG1 VAL A 31 -6.439 22.003 -8.295 1.00 51.43 C ATOM 482 CG2 VAL A 31 -4.958 20.508 -9.654 1.00 1.32 C ATOM 0 H VAL A 31 -3.626 21.186 -7.527 1.00 43.52 H new ATOM 0 HA VAL A 31 -6.083 20.045 -6.423 1.00 2.13 H new ATOM 0 HB VAL A 31 -6.820 19.963 -8.775 1.00 0.44 H new ATOM 0 HG11 VAL A 31 -6.875 22.383 -9.219 1.00 51.43 H new ATOM 0 HG12 VAL A 31 -7.191 22.019 -7.506 1.00 51.43 H new ATOM 0 HG13 VAL A 31 -5.597 22.631 -8.006 1.00 51.43 H new ATOM 0 HG21 VAL A 31 -5.414 20.908 -10.560 1.00 1.32 H new ATOM 0 HG22 VAL A 31 -4.076 21.096 -9.401 1.00 1.32 H new ATOM 0 HG23 VAL A 31 -4.667 19.471 -9.822 1.00 1.32 H new ATOM 492 N ILE A 32 -5.702 17.635 -6.941 1.00 34.43 N ATOM 493 CA ILE A 32 -5.409 16.216 -7.100 1.00 22.35 C ATOM 494 C ILE A 32 -6.443 15.537 -7.991 1.00 31.21 C ATOM 495 O ILE A 32 -7.638 15.553 -7.696 1.00 51.12 O ATOM 496 CB ILE A 32 -5.367 15.494 -5.740 1.00 23.03 C ATOM 497 CG1 ILE A 32 -6.575 15.891 -4.889 1.00 40.22 C ATOM 498 CG2 ILE A 32 -4.070 15.814 -5.010 1.00 75.22 C ATOM 499 CD1 ILE A 32 -7.148 14.748 -4.082 1.00 21.51 C ATOM 0 H ILE A 32 -6.550 17.834 -6.411 1.00 34.43 H new ATOM 0 HA ILE A 32 -4.428 16.148 -7.569 1.00 22.35 H new ATOM 0 HB ILE A 32 -5.407 14.419 -5.915 1.00 23.03 H new ATOM 0 HG12 ILE A 32 -6.284 16.693 -4.211 1.00 40.22 H new ATOM 0 HG13 ILE A 32 -7.352 16.291 -5.540 1.00 40.22 H new ATOM 0 HG21 ILE A 32 -4.055 15.297 -4.051 1.00 75.22 H new ATOM 0 HG22 ILE A 32 -3.223 15.486 -5.612 1.00 75.22 H new ATOM 0 HG23 ILE A 32 -4.002 16.889 -4.843 1.00 75.22 H new ATOM 0 HD11 ILE A 32 -8.001 15.103 -3.504 1.00 21.51 H new ATOM 0 HD12 ILE A 32 -7.471 13.954 -4.755 1.00 21.51 H new ATOM 0 HD13 ILE A 32 -6.386 14.363 -3.405 1.00 21.51 H new ATOM 511 N SER A 33 -5.975 14.939 -9.082 1.00 22.22 N ATOM 512 CA SER A 33 -6.859 14.255 -10.018 1.00 53.11 C ATOM 513 C SER A 33 -6.763 12.742 -9.850 1.00 32.22 C ATOM 514 O SER A 33 -5.690 12.157 -9.998 1.00 62.14 O ATOM 515 CB SER A 33 -6.512 14.643 -11.457 1.00 23.24 C ATOM 516 OG SER A 33 -5.120 14.520 -11.696 1.00 13.42 O ATOM 0 H SER A 33 -4.988 14.914 -9.339 1.00 22.22 H new ATOM 0 HA SER A 33 -7.882 14.562 -9.803 1.00 53.11 H new ATOM 0 HB2 SER A 33 -7.061 14.007 -12.151 1.00 23.24 H new ATOM 0 HB3 SER A 33 -6.828 15.669 -11.647 1.00 23.24 H new ATOM 0 HG SER A 33 -4.783 13.712 -11.256 1.00 13.42 H new ATOM 522 N ILE A 34 -7.893 12.115 -9.539 1.00 24.40 N ATOM 523 CA ILE A 34 -7.937 10.670 -9.351 1.00 63.24 C ATOM 524 C ILE A 34 -9.248 10.088 -9.868 1.00 14.22 C ATOM 525 O ILE A 34 -10.301 10.716 -9.763 1.00 15.22 O ATOM 526 CB ILE A 34 -7.768 10.289 -7.869 1.00 1.14 C ATOM 527 CG1 ILE A 34 -6.452 10.846 -7.323 1.00 45.41 C ATOM 528 CG2 ILE A 34 -7.820 8.778 -7.701 1.00 22.05 C ATOM 529 CD1 ILE A 34 -6.566 12.260 -6.796 1.00 61.33 C ATOM 0 H ILE A 34 -8.789 12.585 -9.412 1.00 24.40 H new ATOM 0 HA ILE A 34 -7.107 10.253 -9.921 1.00 63.24 H new ATOM 0 HB ILE A 34 -8.589 10.727 -7.301 1.00 1.14 H new ATOM 0 HG12 ILE A 34 -6.096 10.197 -6.523 1.00 45.41 H new ATOM 0 HG13 ILE A 34 -5.701 10.821 -8.112 1.00 45.41 H new ATOM 0 HG21 ILE A 34 -7.699 8.525 -6.648 1.00 22.05 H new ATOM 0 HG22 ILE A 34 -8.781 8.405 -8.056 1.00 22.05 H new ATOM 0 HG23 ILE A 34 -7.017 8.320 -8.279 1.00 22.05 H new ATOM 0 HD11 ILE A 34 -5.595 12.589 -6.425 1.00 61.33 H new ATOM 0 HD12 ILE A 34 -6.892 12.922 -7.598 1.00 61.33 H new ATOM 0 HD13 ILE A 34 -7.293 12.288 -5.984 1.00 61.33 H new ATOM 541 N ALA A 35 -9.177 8.884 -10.424 1.00 63.45 N ATOM 542 CA ALA A 35 -10.359 8.215 -10.954 1.00 2.03 C ATOM 543 C ALA A 35 -11.418 8.034 -9.872 1.00 10.43 C ATOM 544 O ALA A 35 -11.095 7.870 -8.696 1.00 23.11 O ATOM 545 CB ALA A 35 -9.980 6.869 -11.554 1.00 2.21 C ATOM 0 H ALA A 35 -8.313 8.351 -10.519 1.00 63.45 H new ATOM 0 HA ALA A 35 -10.781 8.844 -11.738 1.00 2.03 H new ATOM 0 HB1 ALA A 35 -10.872 6.381 -11.946 1.00 2.21 H new ATOM 0 HB2 ALA A 35 -9.264 7.019 -12.362 1.00 2.21 H new ATOM 0 HB3 ALA A 35 -9.531 6.241 -10.784 1.00 2.21 H new ATOM 551 N GLU A 36 -12.684 8.067 -10.277 1.00 44.04 N ATOM 552 CA GLU A 36 -13.790 7.908 -9.341 1.00 3.34 C ATOM 553 C GLU A 36 -13.726 6.549 -8.649 1.00 54.42 C ATOM 554 O GLU A 36 -14.275 6.369 -7.563 1.00 32.32 O ATOM 555 CB GLU A 36 -15.128 8.062 -10.066 1.00 61.44 C ATOM 556 CG GLU A 36 -16.218 8.682 -9.209 1.00 1.41 C ATOM 557 CD GLU A 36 -16.237 10.196 -9.296 1.00 13.12 C ATOM 558 OE1 GLU A 36 -16.214 10.851 -8.233 1.00 1.14 O ATOM 559 OE2 GLU A 36 -16.276 10.726 -10.426 1.00 31.31 O ATOM 0 H GLU A 36 -12.969 8.202 -11.247 1.00 44.04 H new ATOM 0 HA GLU A 36 -13.705 8.687 -8.583 1.00 3.34 H new ATOM 0 HB2 GLU A 36 -14.982 8.677 -10.954 1.00 61.44 H new ATOM 0 HB3 GLU A 36 -15.461 7.082 -10.409 1.00 61.44 H new ATOM 0 HG2 GLU A 36 -17.187 8.292 -9.521 1.00 1.41 H new ATOM 0 HG3 GLU A 36 -16.073 8.383 -8.171 1.00 1.41 H new ATOM 566 N GLU A 37 -13.053 5.598 -9.288 1.00 73.42 N ATOM 567 CA GLU A 37 -12.920 4.255 -8.735 1.00 64.13 C ATOM 568 C GLU A 37 -11.462 3.943 -8.410 1.00 44.13 C ATOM 569 O GLU A 37 -11.117 2.809 -8.079 1.00 74.01 O ATOM 570 CB GLU A 37 -13.468 3.218 -9.718 1.00 24.22 C ATOM 571 CG GLU A 37 -14.653 2.435 -9.178 1.00 51.35 C ATOM 572 CD GLU A 37 -15.731 2.216 -10.222 1.00 41.03 C ATOM 573 OE1 GLU A 37 -16.761 2.920 -10.168 1.00 1.33 O ATOM 574 OE2 GLU A 37 -15.545 1.341 -11.093 1.00 70.31 O ATOM 0 H GLU A 37 -12.592 5.732 -10.188 1.00 73.42 H new ATOM 0 HA GLU A 37 -13.498 4.211 -7.812 1.00 64.13 H new ATOM 0 HB2 GLU A 37 -13.765 3.723 -10.637 1.00 24.22 H new ATOM 0 HB3 GLU A 37 -12.672 2.521 -9.980 1.00 24.22 H new ATOM 0 HG2 GLU A 37 -14.308 1.469 -8.809 1.00 51.35 H new ATOM 0 HG3 GLU A 37 -15.079 2.968 -8.328 1.00 51.35 H new ATOM 581 N ALA A 38 -10.609 4.958 -8.508 1.00 54.23 N ATOM 582 CA ALA A 38 -9.189 4.794 -8.224 1.00 34.23 C ATOM 583 C ALA A 38 -8.912 4.913 -6.729 1.00 44.21 C ATOM 584 O ALA A 38 -9.676 5.519 -5.978 1.00 2.04 O ATOM 585 CB ALA A 38 -8.374 5.819 -8.998 1.00 22.13 C ATOM 0 H ALA A 38 -10.877 5.903 -8.782 1.00 54.23 H new ATOM 0 HA ALA A 38 -8.892 3.795 -8.544 1.00 34.23 H new ATOM 0 HB1 ALA A 38 -7.315 5.685 -8.776 1.00 22.13 H new ATOM 0 HB2 ALA A 38 -8.541 5.684 -10.067 1.00 22.13 H new ATOM 0 HB3 ALA A 38 -8.681 6.823 -8.706 1.00 22.13 H new ATOM 591 N PRO A 39 -7.792 4.322 -6.285 1.00 74.13 N ATOM 592 CA PRO A 39 -7.388 4.348 -4.876 1.00 54.44 C ATOM 593 C PRO A 39 -6.951 5.737 -4.425 1.00 5.51 C ATOM 594 O PRO A 39 -6.600 6.587 -5.246 1.00 33.44 O ATOM 595 CB PRO A 39 -6.209 3.374 -4.827 1.00 71.32 C ATOM 596 CG PRO A 39 -5.659 3.375 -6.212 1.00 5.15 C ATOM 597 CD PRO A 39 -6.835 3.583 -7.125 1.00 21.51 C ATOM 0 HA PRO A 39 -8.209 4.078 -4.211 1.00 54.44 H new ATOM 0 HB2 PRO A 39 -5.460 3.695 -4.103 1.00 71.32 H new ATOM 0 HB3 PRO A 39 -6.532 2.376 -4.530 1.00 71.32 H new ATOM 0 HG2 PRO A 39 -4.922 4.168 -6.338 1.00 5.15 H new ATOM 0 HG3 PRO A 39 -5.156 2.434 -6.433 1.00 5.15 H new ATOM 0 HD2 PRO A 39 -6.558 4.150 -8.014 1.00 21.51 H new ATOM 0 HD3 PRO A 39 -7.250 2.635 -7.468 1.00 21.51 H new ATOM 605 N LEU A 40 -6.972 5.963 -3.116 1.00 0.00 N ATOM 606 CA LEU A 40 -6.576 7.250 -2.555 1.00 13.12 C ATOM 607 C LEU A 40 -5.093 7.516 -2.794 1.00 33.54 C ATOM 608 O LEU A 40 -4.656 8.666 -2.836 1.00 62.13 O ATOM 609 CB LEU A 40 -6.878 7.290 -1.056 1.00 33.33 C ATOM 610 CG LEU A 40 -6.003 6.401 -0.171 1.00 43.40 C ATOM 611 CD1 LEU A 40 -5.124 7.250 0.734 1.00 10.54 C ATOM 612 CD2 LEU A 40 -6.864 5.455 0.653 1.00 42.30 C ATOM 0 H LEU A 40 -7.259 5.272 -2.423 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.151 8.029 -3.056 1.00 13.12 H new ATOM 0 HB2 LEU A 40 -6.779 8.320 -0.713 1.00 33.33 H new ATOM 0 HB3 LEU A 40 -7.919 7.004 -0.908 1.00 33.33 H new ATOM 0 HG LEU A 40 -5.357 5.804 -0.815 1.00 43.40 H new ATOM 0 HD11 LEU A 40 -4.508 6.601 1.357 1.00 10.54 H new ATOM 0 HD12 LEU A 40 -4.481 7.885 0.125 1.00 10.54 H new ATOM 0 HD13 LEU A 40 -5.752 7.874 1.370 1.00 10.54 H new ATOM 0 HD21 LEU A 40 -6.224 4.830 1.276 1.00 42.30 H new ATOM 0 HD22 LEU A 40 -7.536 6.034 1.287 1.00 42.30 H new ATOM 0 HD23 LEU A 40 -7.450 4.822 -0.014 1.00 42.30 H new ATOM 624 N THR A 41 -4.323 6.443 -2.951 1.00 12.31 N ATOM 625 CA THR A 41 -2.890 6.560 -3.187 1.00 22.33 C ATOM 626 C THR A 41 -2.598 7.515 -4.339 1.00 22.45 C ATOM 627 O THR A 41 -1.560 8.176 -4.361 1.00 15.32 O ATOM 628 CB THR A 41 -2.258 5.190 -3.498 1.00 75.41 C ATOM 629 OG1 THR A 41 -2.932 4.162 -2.763 1.00 63.40 O ATOM 630 CG2 THR A 41 -0.778 5.184 -3.148 1.00 71.21 C ATOM 0 H THR A 41 -4.668 5.484 -2.919 1.00 12.31 H new ATOM 0 HA THR A 41 -2.451 6.955 -2.271 1.00 22.33 H new ATOM 0 HB THR A 41 -2.362 5.001 -4.566 1.00 75.41 H new ATOM 0 HG1 THR A 41 -2.526 3.294 -2.967 1.00 63.40 H new ATOM 0 HG21 THR A 41 -0.354 4.206 -3.376 1.00 71.21 H new ATOM 0 HG22 THR A 41 -0.263 5.948 -3.731 1.00 71.21 H new ATOM 0 HG23 THR A 41 -0.655 5.394 -2.086 1.00 71.21 H new ATOM 638 N ALA A 42 -3.520 7.582 -5.294 1.00 25.34 N ATOM 639 CA ALA A 42 -3.362 8.458 -6.447 1.00 44.34 C ATOM 640 C ALA A 42 -3.239 9.916 -6.017 1.00 24.13 C ATOM 641 O ALA A 42 -2.507 10.694 -6.628 1.00 60.11 O ATOM 642 CB ALA A 42 -4.531 8.286 -7.405 1.00 72.22 C ATOM 0 H ALA A 42 -4.384 7.040 -5.291 1.00 25.34 H new ATOM 0 HA ALA A 42 -2.442 8.179 -6.960 1.00 44.34 H new ATOM 0 HB1 ALA A 42 -4.399 8.947 -8.262 1.00 72.22 H new ATOM 0 HB2 ALA A 42 -4.572 7.252 -7.747 1.00 72.22 H new ATOM 0 HB3 ALA A 42 -5.460 8.536 -6.893 1.00 72.22 H new ATOM 648 N ALA A 43 -3.960 10.279 -4.961 1.00 4.00 N ATOM 649 CA ALA A 43 -3.930 11.643 -4.448 1.00 43.11 C ATOM 650 C ALA A 43 -2.651 11.905 -3.659 1.00 35.01 C ATOM 651 O ALA A 43 -2.123 13.018 -3.665 1.00 22.51 O ATOM 652 CB ALA A 43 -5.151 11.908 -3.581 1.00 34.33 C ATOM 0 H ALA A 43 -4.572 9.647 -4.444 1.00 4.00 H new ATOM 0 HA ALA A 43 -3.947 12.325 -5.298 1.00 43.11 H new ATOM 0 HB1 ALA A 43 -5.115 12.930 -3.205 1.00 34.33 H new ATOM 0 HB2 ALA A 43 -6.055 11.771 -4.174 1.00 34.33 H new ATOM 0 HB3 ALA A 43 -5.159 11.213 -2.742 1.00 34.33 H new ATOM 658 N LEU A 44 -2.160 10.875 -2.980 1.00 24.32 N ATOM 659 CA LEU A 44 -0.943 10.994 -2.184 1.00 65.43 C ATOM 660 C LEU A 44 0.184 11.615 -3.003 1.00 5.22 C ATOM 661 O LEU A 44 1.049 12.306 -2.463 1.00 61.40 O ATOM 662 CB LEU A 44 -0.513 9.620 -1.665 1.00 13.55 C ATOM 663 CG LEU A 44 -0.192 9.538 -0.172 1.00 2.21 C ATOM 664 CD1 LEU A 44 0.876 10.554 0.201 1.00 45.41 C ATOM 665 CD2 LEU A 44 -1.449 9.755 0.657 1.00 13.22 C ATOM 0 H LEU A 44 -2.585 9.948 -2.964 1.00 24.32 H new ATOM 0 HA LEU A 44 -1.155 11.646 -1.337 1.00 65.43 H new ATOM 0 HB2 LEU A 44 -1.306 8.906 -1.886 1.00 13.55 H new ATOM 0 HB3 LEU A 44 0.367 9.302 -2.224 1.00 13.55 H new ATOM 0 HG LEU A 44 0.193 8.541 0.043 1.00 2.21 H new ATOM 0 HD11 LEU A 44 1.091 10.481 1.267 1.00 45.41 H new ATOM 0 HD12 LEU A 44 1.784 10.353 -0.367 1.00 45.41 H new ATOM 0 HD13 LEU A 44 0.519 11.558 -0.029 1.00 45.41 H new ATOM 0 HD21 LEU A 44 -1.201 9.693 1.717 1.00 13.22 H new ATOM 0 HD22 LEU A 44 -1.864 10.739 0.438 1.00 13.22 H new ATOM 0 HD23 LEU A 44 -2.184 8.989 0.411 1.00 13.22 H new ATOM 677 N ARG A 45 0.167 11.367 -4.308 1.00 50.23 N ATOM 678 CA ARG A 45 1.187 11.903 -5.202 1.00 12.44 C ATOM 679 C ARG A 45 1.319 13.414 -5.032 1.00 14.03 C ATOM 680 O ARG A 45 2.412 13.930 -4.800 1.00 41.22 O ATOM 681 CB ARG A 45 0.848 11.571 -6.656 1.00 35.43 C ATOM 682 CG ARG A 45 1.622 10.384 -7.206 1.00 3.32 C ATOM 683 CD ARG A 45 1.813 10.493 -8.711 1.00 30.24 C ATOM 684 NE ARG A 45 0.538 10.564 -9.420 1.00 44.50 N ATOM 685 CZ ARG A 45 0.437 10.674 -10.740 1.00 3.20 C ATOM 686 NH1 ARG A 45 1.529 10.724 -11.490 1.00 4.20 N ATOM 687 NH2 ARG A 45 -0.758 10.734 -11.312 1.00 74.33 N ATOM 0 H ARG A 45 -0.542 10.798 -4.770 1.00 50.23 H new ATOM 0 HA ARG A 45 2.140 11.440 -4.944 1.00 12.44 H new ATOM 0 HB2 ARG A 45 -0.220 11.365 -6.733 1.00 35.43 H new ATOM 0 HB3 ARG A 45 1.050 12.444 -7.276 1.00 35.43 H new ATOM 0 HG2 ARG A 45 2.595 10.325 -6.718 1.00 3.32 H new ATOM 0 HG3 ARG A 45 1.091 9.462 -6.971 1.00 3.32 H new ATOM 0 HD2 ARG A 45 2.404 11.380 -8.938 1.00 30.24 H new ATOM 0 HD3 ARG A 45 2.379 9.633 -9.068 1.00 30.24 H new ATOM 0 HE ARG A 45 -0.321 10.527 -8.872 1.00 44.50 H new ATOM 0 HH11 ARG A 45 2.450 10.678 -11.054 1.00 4.20 H new ATOM 0 HH12 ARG A 45 1.448 10.808 -12.503 1.00 4.20 H new ATOM 0 HH21 ARG A 45 -1.601 10.696 -10.738 1.00 74.33 H new ATOM 0 HH22 ARG A 45 -0.835 10.818 -12.326 1.00 74.33 H new ATOM 701 N PHE A 46 0.197 14.117 -5.149 1.00 3.51 N ATOM 702 CA PHE A 46 0.187 15.569 -5.010 1.00 4.01 C ATOM 703 C PHE A 46 0.034 15.974 -3.547 1.00 4.33 C ATOM 704 O PHE A 46 0.490 17.041 -3.136 1.00 52.33 O ATOM 705 CB PHE A 46 -0.947 16.174 -5.840 1.00 2.33 C ATOM 706 CG PHE A 46 -0.502 16.685 -7.180 1.00 70.04 C ATOM 707 CD1 PHE A 46 -1.111 16.241 -8.343 1.00 34.44 C ATOM 708 CD2 PHE A 46 0.526 17.609 -7.278 1.00 72.03 C ATOM 709 CE1 PHE A 46 -0.705 16.709 -9.578 1.00 62.20 C ATOM 710 CE2 PHE A 46 0.936 18.081 -8.511 1.00 23.03 C ATOM 711 CZ PHE A 46 0.321 17.629 -9.662 1.00 41.40 C ATOM 0 H PHE A 46 -0.716 13.705 -5.340 1.00 3.51 H new ATOM 0 HA PHE A 46 1.140 15.951 -5.377 1.00 4.01 H new ATOM 0 HB2 PHE A 46 -1.721 15.421 -5.986 1.00 2.33 H new ATOM 0 HB3 PHE A 46 -1.400 16.992 -5.280 1.00 2.33 H new ATOM 0 HD1 PHE A 46 -1.913 15.520 -8.283 1.00 34.44 H new ATOM 0 HD2 PHE A 46 1.012 17.964 -6.381 1.00 72.03 H new ATOM 0 HE1 PHE A 46 -1.189 16.356 -10.476 1.00 62.20 H new ATOM 0 HE2 PHE A 46 1.737 18.803 -8.574 1.00 23.03 H new ATOM 0 HZ PHE A 46 0.642 17.995 -10.626 1.00 41.40 H new ATOM 721 N ALA A 47 -0.611 15.114 -2.765 1.00 44.42 N ATOM 722 CA ALA A 47 -0.823 15.381 -1.348 1.00 41.10 C ATOM 723 C ALA A 47 0.501 15.422 -0.593 1.00 2.23 C ATOM 724 O ALA A 47 0.648 16.160 0.381 1.00 22.44 O ATOM 725 CB ALA A 47 -1.744 14.331 -0.745 1.00 70.45 C ATOM 0 H ALA A 47 -0.996 14.227 -3.089 1.00 44.42 H new ATOM 0 HA ALA A 47 -1.295 16.359 -1.255 1.00 41.10 H new ATOM 0 HB1 ALA A 47 -1.893 14.543 0.314 1.00 70.45 H new ATOM 0 HB2 ALA A 47 -2.705 14.352 -1.259 1.00 70.45 H new ATOM 0 HB3 ALA A 47 -1.294 13.345 -0.858 1.00 70.45 H new ATOM 731 N ALA A 48 1.462 14.625 -1.048 1.00 71.03 N ATOM 732 CA ALA A 48 2.774 14.572 -0.416 1.00 62.31 C ATOM 733 C ALA A 48 3.486 15.917 -0.514 1.00 14.03 C ATOM 734 O ALA A 48 4.322 16.249 0.326 1.00 60.24 O ATOM 735 CB ALA A 48 3.621 13.478 -1.049 1.00 60.42 C ATOM 0 H ALA A 48 1.356 14.007 -1.852 1.00 71.03 H new ATOM 0 HA ALA A 48 2.632 14.342 0.640 1.00 62.31 H new ATOM 0 HB1 ALA A 48 4.598 13.450 -0.567 1.00 60.42 H new ATOM 0 HB2 ALA A 48 3.126 12.515 -0.922 1.00 60.42 H new ATOM 0 HB3 ALA A 48 3.746 13.684 -2.112 1.00 60.42 H new ATOM 741 N GLU A 49 3.148 16.687 -1.544 1.00 32.43 N ATOM 742 CA GLU A 49 3.757 17.995 -1.750 1.00 54.45 C ATOM 743 C GLU A 49 3.099 19.048 -0.863 1.00 33.13 C ATOM 744 O GLU A 49 3.760 19.963 -0.374 1.00 41.34 O ATOM 745 CB GLU A 49 3.644 18.409 -3.219 1.00 71.44 C ATOM 746 CG GLU A 49 4.203 17.378 -4.186 1.00 52.32 C ATOM 747 CD GLU A 49 5.503 16.768 -3.700 1.00 60.44 C ATOM 748 OE1 GLU A 49 5.619 15.524 -3.723 1.00 54.22 O ATOM 749 OE2 GLU A 49 6.404 17.532 -3.298 1.00 3.14 O ATOM 0 H GLU A 49 2.457 16.427 -2.248 1.00 32.43 H new ATOM 0 HA GLU A 49 4.810 17.923 -1.479 1.00 54.45 H new ATOM 0 HB2 GLU A 49 2.596 18.588 -3.458 1.00 71.44 H new ATOM 0 HB3 GLU A 49 4.170 19.353 -3.363 1.00 71.44 H new ATOM 0 HG2 GLU A 49 3.468 16.587 -4.333 1.00 52.32 H new ATOM 0 HG3 GLU A 49 4.366 17.846 -5.157 1.00 52.32 H new ATOM 756 N GLU A 50 1.792 18.910 -0.660 1.00 22.43 N ATOM 757 CA GLU A 50 1.045 19.849 0.168 1.00 53.22 C ATOM 758 C GLU A 50 1.610 19.896 1.584 1.00 4.13 C ATOM 759 O GLU A 50 1.771 20.970 2.166 1.00 73.45 O ATOM 760 CB GLU A 50 -0.435 19.461 0.210 1.00 24.32 C ATOM 761 CG GLU A 50 -1.189 19.796 -1.065 1.00 41.34 C ATOM 762 CD GLU A 50 -2.163 18.707 -1.470 1.00 55.54 C ATOM 763 OE1 GLU A 50 -2.322 18.477 -2.688 1.00 21.34 O ATOM 764 OE2 GLU A 50 -2.768 18.087 -0.571 1.00 64.42 O ATOM 0 H GLU A 50 1.230 18.158 -1.057 1.00 22.43 H new ATOM 0 HA GLU A 50 1.141 20.840 -0.275 1.00 53.22 H new ATOM 0 HB2 GLU A 50 -0.516 18.391 0.399 1.00 24.32 H new ATOM 0 HB3 GLU A 50 -0.911 19.970 1.048 1.00 24.32 H new ATOM 0 HG2 GLU A 50 -1.732 20.731 -0.926 1.00 41.34 H new ATOM 0 HG3 GLU A 50 -0.475 19.959 -1.873 1.00 41.34 H new ATOM 771 N PHE A 51 1.911 18.724 2.134 1.00 14.23 N ATOM 772 CA PHE A 51 2.457 18.630 3.483 1.00 11.21 C ATOM 773 C PHE A 51 3.979 18.533 3.448 1.00 62.43 C ATOM 774 O PHE A 51 4.653 18.805 4.440 1.00 11.23 O ATOM 775 CB PHE A 51 1.873 17.416 4.209 1.00 4.30 C ATOM 776 CG PHE A 51 0.959 17.779 5.344 1.00 30.10 C ATOM 777 CD1 PHE A 51 -0.414 17.648 5.214 1.00 52.23 C ATOM 778 CD2 PHE A 51 1.473 18.251 6.541 1.00 13.11 C ATOM 779 CE1 PHE A 51 -1.259 17.981 6.256 1.00 25.34 C ATOM 780 CE2 PHE A 51 0.633 18.585 7.587 1.00 24.23 C ATOM 781 CZ PHE A 51 -0.734 18.451 7.444 1.00 21.44 C ATOM 0 H PHE A 51 1.786 17.826 1.666 1.00 14.23 H new ATOM 0 HA PHE A 51 2.181 19.535 4.024 1.00 11.21 H new ATOM 0 HB2 PHE A 51 1.325 16.804 3.493 1.00 4.30 H new ATOM 0 HB3 PHE A 51 2.690 16.804 4.592 1.00 4.30 H new ATOM 0 HD1 PHE A 51 -0.829 17.281 4.287 1.00 52.23 H new ATOM 0 HD2 PHE A 51 2.541 18.359 6.658 1.00 13.11 H new ATOM 0 HE1 PHE A 51 -2.328 17.874 6.141 1.00 25.34 H new ATOM 0 HE2 PHE A 51 1.046 18.951 8.516 1.00 24.23 H new ATOM 0 HZ PHE A 51 -1.391 18.713 8.260 1.00 21.44 H new ATOM 791 N GLY A 52 4.515 18.141 2.295 1.00 33.55 N ATOM 792 CA GLY A 52 5.953 18.013 2.151 1.00 21.33 C ATOM 793 C GLY A 52 6.473 16.688 2.674 1.00 13.10 C ATOM 794 O GLY A 52 7.667 16.402 2.581 1.00 53.12 O ATOM 0 H GLY A 52 3.978 17.910 1.459 1.00 33.55 H new ATOM 0 HA2 GLY A 52 6.220 18.115 1.099 1.00 21.33 H new ATOM 0 HA3 GLY A 52 6.442 18.828 2.685 1.00 21.33 H new ATOM 798 N ILE A 53 5.575 15.879 3.227 1.00 63.14 N ATOM 799 CA ILE A 53 5.950 14.578 3.767 1.00 45.15 C ATOM 800 C ILE A 53 4.968 13.497 3.329 1.00 13.23 C ATOM 801 O ILE A 53 4.082 13.743 2.511 1.00 10.53 O ATOM 802 CB ILE A 53 6.016 14.605 5.305 1.00 31.30 C ATOM 803 CG1 ILE A 53 4.617 14.804 5.893 1.00 25.43 C ATOM 804 CG2 ILE A 53 6.956 15.704 5.776 1.00 11.22 C ATOM 805 CD1 ILE A 53 4.596 14.831 7.406 1.00 44.04 C ATOM 0 H ILE A 53 4.583 16.102 3.313 1.00 63.14 H new ATOM 0 HA ILE A 53 6.940 14.346 3.374 1.00 45.15 H new ATOM 0 HB ILE A 53 6.404 13.648 5.654 1.00 31.30 H new ATOM 0 HG12 ILE A 53 4.202 15.739 5.515 1.00 25.43 H new ATOM 0 HG13 ILE A 53 3.967 14.002 5.543 1.00 25.43 H new ATOM 0 HG21 ILE A 53 6.992 15.710 6.865 1.00 11.22 H new ATOM 0 HG22 ILE A 53 7.956 15.522 5.381 1.00 11.22 H new ATOM 0 HG23 ILE A 53 6.595 16.669 5.419 1.00 11.22 H new ATOM 0 HD11 ILE A 53 3.573 14.975 7.753 1.00 44.04 H new ATOM 0 HD12 ILE A 53 4.981 13.887 7.792 1.00 44.04 H new ATOM 0 HD13 ILE A 53 5.219 15.650 7.764 1.00 44.04 H new ATOM 817 N ALA A 54 5.130 12.299 3.882 1.00 53.32 N ATOM 818 CA ALA A 54 4.255 11.181 3.552 1.00 15.30 C ATOM 819 C ALA A 54 3.914 10.366 4.795 1.00 70.33 C ATOM 820 O ALA A 54 4.593 9.390 5.113 1.00 32.44 O ATOM 821 CB ALA A 54 4.904 10.296 2.499 1.00 74.14 C ATOM 0 H ALA A 54 5.859 12.078 4.560 1.00 53.32 H new ATOM 0 HA ALA A 54 3.326 11.585 3.148 1.00 15.30 H new ATOM 0 HB1 ALA A 54 4.239 9.465 2.262 1.00 74.14 H new ATOM 0 HB2 ALA A 54 5.090 10.880 1.598 1.00 74.14 H new ATOM 0 HB3 ALA A 54 5.848 9.908 2.881 1.00 74.14 H new ATOM 827 N SER A 55 2.859 10.773 5.493 1.00 30.33 N ATOM 828 CA SER A 55 2.431 10.082 6.704 1.00 22.11 C ATOM 829 C SER A 55 1.192 10.745 7.299 1.00 64.32 C ATOM 830 O SER A 55 0.080 10.232 7.175 1.00 52.43 O ATOM 831 CB SER A 55 3.561 10.069 7.735 1.00 22.34 C ATOM 832 OG SER A 55 3.054 9.880 9.045 1.00 2.31 O ATOM 0 H SER A 55 2.285 11.578 5.241 1.00 30.33 H new ATOM 0 HA SER A 55 2.180 9.055 6.437 1.00 22.11 H new ATOM 0 HB2 SER A 55 4.266 9.273 7.496 1.00 22.34 H new ATOM 0 HB3 SER A 55 4.112 11.008 7.687 1.00 22.34 H new ATOM 0 HG SER A 55 3.796 9.874 9.685 1.00 2.31 H new ATOM 838 N VAL A 56 1.394 11.888 7.946 1.00 52.31 N ATOM 839 CA VAL A 56 0.294 12.623 8.560 1.00 43.33 C ATOM 840 C VAL A 56 -0.617 13.234 7.501 1.00 33.32 C ATOM 841 O VAL A 56 -1.785 13.522 7.764 1.00 2.34 O ATOM 842 CB VAL A 56 0.813 13.743 9.482 1.00 61.51 C ATOM 843 CG1 VAL A 56 1.589 13.155 10.651 1.00 33.20 C ATOM 844 CG2 VAL A 56 1.674 14.722 8.698 1.00 23.44 C ATOM 0 H VAL A 56 2.309 12.325 8.059 1.00 52.31 H new ATOM 0 HA VAL A 56 -0.273 11.906 9.154 1.00 43.33 H new ATOM 0 HB VAL A 56 -0.043 14.287 9.882 1.00 61.51 H new ATOM 0 HG11 VAL A 56 1.948 13.961 11.291 1.00 33.20 H new ATOM 0 HG12 VAL A 56 0.937 12.497 11.226 1.00 33.20 H new ATOM 0 HG13 VAL A 56 2.438 12.585 10.274 1.00 33.20 H new ATOM 0 HG21 VAL A 56 2.032 15.506 9.365 1.00 23.44 H new ATOM 0 HG22 VAL A 56 2.525 14.194 8.268 1.00 23.44 H new ATOM 0 HG23 VAL A 56 1.082 15.168 7.898 1.00 23.44 H new ATOM 854 N ASP A 57 -0.077 13.427 6.303 1.00 3.23 N ATOM 855 CA ASP A 57 -0.842 14.002 5.203 1.00 42.10 C ATOM 856 C ASP A 57 -2.005 13.094 4.817 1.00 62.43 C ATOM 857 O ASP A 57 -2.986 13.543 4.224 1.00 31.55 O ATOM 858 CB ASP A 57 0.063 14.236 3.992 1.00 12.21 C ATOM 859 CG ASP A 57 0.359 12.957 3.235 1.00 23.40 C ATOM 860 OD1 ASP A 57 1.151 12.136 3.744 1.00 65.23 O ATOM 861 OD2 ASP A 57 -0.202 12.776 2.134 1.00 24.42 O ATOM 0 H ASP A 57 0.888 13.194 6.069 1.00 3.23 H new ATOM 0 HA ASP A 57 -1.246 14.958 5.535 1.00 42.10 H new ATOM 0 HB2 ASP A 57 -0.412 14.951 3.320 1.00 12.21 H new ATOM 0 HB3 ASP A 57 1.000 14.684 4.323 1.00 12.21 H new ATOM 866 N SER A 58 -1.887 11.814 5.155 1.00 22.41 N ATOM 867 CA SER A 58 -2.926 10.841 4.839 1.00 30.43 C ATOM 868 C SER A 58 -4.247 11.222 5.501 1.00 3.11 C ATOM 869 O SER A 58 -5.322 10.882 5.008 1.00 65.21 O ATOM 870 CB SER A 58 -2.500 9.443 5.293 1.00 73.10 C ATOM 871 OG SER A 58 -2.988 8.449 4.408 1.00 2.03 O ATOM 0 H SER A 58 -1.082 11.427 5.648 1.00 22.41 H new ATOM 0 HA SER A 58 -3.069 10.837 3.758 1.00 30.43 H new ATOM 0 HB2 SER A 58 -1.412 9.389 5.342 1.00 73.10 H new ATOM 0 HB3 SER A 58 -2.874 9.254 6.299 1.00 73.10 H new ATOM 0 HG SER A 58 -3.887 8.694 4.105 1.00 2.03 H new ATOM 877 N MET A 59 -4.157 11.931 6.621 1.00 4.25 N ATOM 878 CA MET A 59 -5.344 12.361 7.351 1.00 30.31 C ATOM 879 C MET A 59 -5.052 13.608 8.179 1.00 22.12 C ATOM 880 O MET A 59 -4.914 13.536 9.400 1.00 73.41 O ATOM 881 CB MET A 59 -5.845 11.236 8.260 1.00 5.52 C ATOM 882 CG MET A 59 -7.157 11.557 8.957 1.00 71.04 C ATOM 883 SD MET A 59 -7.225 10.915 10.640 1.00 31.30 S ATOM 884 CE MET A 59 -6.540 12.293 11.556 1.00 12.11 C ATOM 0 H MET A 59 -3.275 12.220 7.043 1.00 4.25 H new ATOM 0 HA MET A 59 -6.119 12.603 6.624 1.00 30.31 H new ATOM 0 HB2 MET A 59 -5.970 10.330 7.668 1.00 5.52 H new ATOM 0 HB3 MET A 59 -5.086 11.023 9.013 1.00 5.52 H new ATOM 0 HG2 MET A 59 -7.297 12.638 8.979 1.00 71.04 H new ATOM 0 HG3 MET A 59 -7.982 11.140 8.380 1.00 71.04 H new ATOM 0 HE1 MET A 59 -6.861 12.234 12.596 1.00 12.11 H new ATOM 0 HE2 MET A 59 -5.452 12.256 11.509 1.00 12.11 H new ATOM 0 HE3 MET A 59 -6.890 13.229 11.121 1.00 12.11 H new ATOM 894 N ALA A 60 -4.958 14.751 7.507 1.00 60.51 N ATOM 895 CA ALA A 60 -4.684 16.013 8.181 1.00 1.33 C ATOM 896 C ALA A 60 -5.353 17.178 7.459 1.00 34.25 C ATOM 897 O ALA A 60 -4.685 17.997 6.830 1.00 1.22 O ATOM 898 CB ALA A 60 -3.183 16.244 8.280 1.00 32.12 C ATOM 0 H ALA A 60 -5.068 14.828 6.496 1.00 60.51 H new ATOM 0 HA ALA A 60 -5.099 15.956 9.187 1.00 1.33 H new ATOM 0 HB1 ALA A 60 -2.993 17.191 8.786 1.00 32.12 H new ATOM 0 HB2 ALA A 60 -2.726 15.432 8.846 1.00 32.12 H new ATOM 0 HB3 ALA A 60 -2.753 16.275 7.279 1.00 32.12 H new ATOM 904 N ALA A 61 -6.677 17.244 7.554 1.00 14.24 N ATOM 905 CA ALA A 61 -7.437 18.309 6.911 1.00 1.35 C ATOM 906 C ALA A 61 -8.857 18.382 7.464 1.00 65.44 C ATOM 907 O ALA A 61 -9.398 17.386 7.947 1.00 40.45 O ATOM 908 CB ALA A 61 -7.465 18.102 5.404 1.00 4.04 C ATOM 0 H ALA A 61 -7.245 16.573 8.070 1.00 14.24 H new ATOM 0 HA ALA A 61 -6.942 19.256 7.127 1.00 1.35 H new ATOM 0 HB1 ALA A 61 -8.036 18.905 4.937 1.00 4.04 H new ATOM 0 HB2 ALA A 61 -6.446 18.109 5.017 1.00 4.04 H new ATOM 0 HB3 ALA A 61 -7.933 17.144 5.177 1.00 4.04 H new ATOM 914 N THR A 62 -9.456 19.566 7.390 1.00 3.11 N ATOM 915 CA THR A 62 -10.812 19.769 7.884 1.00 23.32 C ATOM 916 C THR A 62 -11.702 20.383 6.810 1.00 32.12 C ATOM 917 O THR A 62 -11.224 21.088 5.920 1.00 34.44 O ATOM 918 CB THR A 62 -10.826 20.677 9.128 1.00 35.23 C ATOM 919 OG1 THR A 62 -9.924 21.774 8.945 1.00 33.51 O ATOM 920 CG2 THR A 62 -10.436 19.895 10.374 1.00 52.04 C ATOM 0 H THR A 62 -9.023 20.400 6.992 1.00 3.11 H new ATOM 0 HA THR A 62 -11.200 18.787 8.156 1.00 23.32 H new ATOM 0 HB THR A 62 -11.838 21.058 9.260 1.00 35.23 H new ATOM 0 HG1 THR A 62 -9.940 22.347 9.740 1.00 33.51 H new ATOM 0 HG21 THR A 62 -10.453 20.557 11.239 1.00 52.04 H new ATOM 0 HG22 THR A 62 -11.142 19.079 10.527 1.00 52.04 H new ATOM 0 HG23 THR A 62 -9.433 19.488 10.249 1.00 52.04 H new ATOM 928 N THR A 63 -13.001 20.112 6.898 1.00 2.15 N ATOM 929 CA THR A 63 -13.958 20.638 5.934 1.00 75.22 C ATOM 930 C THR A 63 -14.443 22.025 6.340 1.00 44.12 C ATOM 931 O THR A 63 -14.291 22.435 7.491 1.00 60.02 O ATOM 932 CB THR A 63 -15.175 19.705 5.785 1.00 53.11 C ATOM 933 OG1 THR A 63 -14.814 18.367 6.144 1.00 63.12 O ATOM 934 CG2 THR A 63 -15.703 19.728 4.358 1.00 32.03 C ATOM 0 H THR A 63 -13.414 19.531 7.628 1.00 2.15 H new ATOM 0 HA THR A 63 -13.439 20.703 4.978 1.00 75.22 H new ATOM 0 HB THR A 63 -15.961 20.060 6.452 1.00 53.11 H new ATOM 0 HG1 THR A 63 -15.033 18.211 7.086 1.00 63.12 H new ATOM 0 HG21 THR A 63 -16.562 19.062 4.277 1.00 32.03 H new ATOM 0 HG22 THR A 63 -16.005 20.743 4.098 1.00 32.03 H new ATOM 0 HG23 THR A 63 -14.921 19.396 3.675 1.00 32.03 H new ATOM 942 N LYS A 64 -15.027 22.745 5.388 1.00 64.22 N ATOM 943 CA LYS A 64 -15.536 24.087 5.646 1.00 64.41 C ATOM 944 C LYS A 64 -16.674 24.051 6.660 1.00 75.30 C ATOM 945 O LYS A 64 -16.971 25.053 7.310 1.00 55.43 O ATOM 946 CB LYS A 64 -16.018 24.731 4.344 1.00 22.41 C ATOM 947 CG LYS A 64 -15.737 26.221 4.262 1.00 22.03 C ATOM 948 CD LYS A 64 -15.359 26.641 2.852 1.00 62.54 C ATOM 949 CE LYS A 64 -13.865 26.491 2.607 1.00 71.31 C ATOM 950 NZ LYS A 64 -13.294 27.681 1.918 1.00 22.10 N ATOM 0 H LYS A 64 -15.160 22.421 4.430 1.00 64.22 H new ATOM 0 HA LYS A 64 -14.723 24.684 6.060 1.00 64.41 H new ATOM 0 HB2 LYS A 64 -15.537 24.232 3.502 1.00 22.41 H new ATOM 0 HB3 LYS A 64 -17.091 24.566 4.242 1.00 22.41 H new ATOM 0 HG2 LYS A 64 -16.618 26.776 4.584 1.00 22.03 H new ATOM 0 HG3 LYS A 64 -14.930 26.478 4.948 1.00 22.03 H new ATOM 0 HD2 LYS A 64 -15.909 26.036 2.131 1.00 62.54 H new ATOM 0 HD3 LYS A 64 -15.653 27.678 2.689 1.00 62.54 H new ATOM 0 HE2 LYS A 64 -13.354 26.342 3.558 1.00 71.31 H new ATOM 0 HE3 LYS A 64 -13.683 25.601 2.005 1.00 71.31 H new ATOM 0 HZ1 LYS A 64 -12.314 27.480 1.633 1.00 22.10 H new ATOM 0 HZ2 LYS A 64 -13.862 27.900 1.075 1.00 22.10 H new ATOM 0 HZ3 LYS A 64 -13.307 28.496 2.564 1.00 22.10 H new ATOM 964 N ASP A 65 -17.307 22.890 6.791 1.00 13.11 N ATOM 965 CA ASP A 65 -18.412 22.723 7.728 1.00 0.24 C ATOM 966 C ASP A 65 -17.911 22.201 9.071 1.00 20.13 C ATOM 967 O ASP A 65 -18.701 21.874 9.956 1.00 53.23 O ATOM 968 CB ASP A 65 -19.457 21.766 7.153 1.00 51.32 C ATOM 969 CG ASP A 65 -20.810 21.916 7.821 1.00 43.31 C ATOM 970 OD1 ASP A 65 -21.366 23.034 7.790 1.00 13.12 O ATOM 971 OD2 ASP A 65 -21.312 20.916 8.374 1.00 71.23 O ATOM 0 H ASP A 65 -17.074 22.051 6.260 1.00 13.11 H new ATOM 0 HA ASP A 65 -18.872 23.698 7.886 1.00 0.24 H new ATOM 0 HB2 ASP A 65 -19.561 21.947 6.083 1.00 51.32 H new ATOM 0 HB3 ASP A 65 -19.109 20.740 7.270 1.00 51.32 H new ATOM 976 N GLY A 66 -16.591 22.124 9.216 1.00 54.10 N ATOM 977 CA GLY A 66 -16.008 21.640 10.453 1.00 23.41 C ATOM 978 C GLY A 66 -15.000 20.531 10.224 1.00 71.34 C ATOM 979 O GLY A 66 -14.146 20.629 9.342 1.00 50.42 O ATOM 0 H GLY A 66 -15.916 22.388 8.499 1.00 54.10 H new ATOM 0 HA2 GLY A 66 -15.522 22.467 10.970 1.00 23.41 H new ATOM 0 HA3 GLY A 66 -16.801 21.277 11.107 1.00 23.41 H new ATOM 983 N THR A 67 -15.097 19.471 11.020 1.00 31.31 N ATOM 984 CA THR A 67 -14.186 18.340 10.902 1.00 65.33 C ATOM 985 C THR A 67 -14.146 17.812 9.472 1.00 55.30 C ATOM 986 O THR A 67 -15.154 17.827 8.767 1.00 54.12 O ATOM 987 CB THR A 67 -14.587 17.193 11.849 1.00 43.21 C ATOM 988 OG1 THR A 67 -16.010 17.157 11.999 1.00 74.13 O ATOM 989 CG2 THR A 67 -13.933 17.363 13.212 1.00 44.22 C ATOM 0 H THR A 67 -15.798 19.372 11.754 1.00 31.31 H new ATOM 0 HA THR A 67 -13.196 18.702 11.181 1.00 65.33 H new ATOM 0 HB THR A 67 -14.244 16.255 11.413 1.00 43.21 H new ATOM 0 HG1 THR A 67 -16.257 16.424 12.601 1.00 74.13 H new ATOM 0 HG21 THR A 67 -14.231 16.541 13.863 1.00 44.22 H new ATOM 0 HG22 THR A 67 -12.849 17.361 13.098 1.00 44.22 H new ATOM 0 HG23 THR A 67 -14.250 18.308 13.652 1.00 44.22 H new ATOM 997 N GLY A 68 -12.975 17.345 9.050 1.00 51.51 N ATOM 998 CA GLY A 68 -12.827 16.819 7.706 1.00 52.14 C ATOM 999 C GLY A 68 -11.952 15.582 7.660 1.00 10.42 C ATOM 1000 O GLY A 68 -10.944 15.553 6.954 1.00 42.21 O ATOM 0 H GLY A 68 -12.126 17.322 9.615 1.00 51.51 H new ATOM 0 HA2 GLY A 68 -13.811 16.579 7.303 1.00 52.14 H new ATOM 0 HA3 GLY A 68 -12.398 17.588 7.064 1.00 52.14 H new ATOM 1004 N ILE A 69 -12.336 14.560 8.416 1.00 33.43 N ATOM 1005 CA ILE A 69 -11.579 13.315 8.459 1.00 4.15 C ATOM 1006 C ILE A 69 -12.016 12.366 7.349 1.00 15.02 C ATOM 1007 O ILE A 69 -13.207 12.218 7.079 1.00 55.51 O ATOM 1008 CB ILE A 69 -11.737 12.606 9.818 1.00 51.34 C ATOM 1009 CG1 ILE A 69 -11.226 13.502 10.948 1.00 51.22 C ATOM 1010 CG2 ILE A 69 -10.996 11.278 9.811 1.00 30.33 C ATOM 1011 CD1 ILE A 69 -12.223 13.686 12.071 1.00 41.35 C ATOM 0 H ILE A 69 -13.167 14.569 9.007 1.00 33.43 H new ATOM 0 HA ILE A 69 -10.531 13.579 8.316 1.00 4.15 H new ATOM 0 HB ILE A 69 -12.795 12.408 9.988 1.00 51.34 H new ATOM 0 HG12 ILE A 69 -10.309 13.074 11.353 1.00 51.22 H new ATOM 0 HG13 ILE A 69 -10.968 14.479 10.538 1.00 51.22 H new ATOM 0 HG21 ILE A 69 -11.117 10.789 10.778 1.00 30.33 H new ATOM 0 HG22 ILE A 69 -11.403 10.639 9.027 1.00 30.33 H new ATOM 0 HG23 ILE A 69 -9.937 11.453 9.623 1.00 30.33 H new ATOM 0 HD11 ILE A 69 -11.794 14.332 12.837 1.00 41.35 H new ATOM 0 HD12 ILE A 69 -13.132 14.142 11.679 1.00 41.35 H new ATOM 0 HD13 ILE A 69 -12.463 12.716 12.507 1.00 41.35 H new ATOM 1023 N ASN A 70 -11.044 11.723 6.710 1.00 15.21 N ATOM 1024 CA ASN A 70 -11.330 10.786 5.629 1.00 5.43 C ATOM 1025 C ASN A 70 -11.092 9.348 6.079 1.00 13.04 C ATOM 1026 O ASN A 70 -9.956 8.899 6.232 1.00 33.52 O ATOM 1027 CB ASN A 70 -10.460 11.101 4.411 1.00 43.33 C ATOM 1028 CG ASN A 70 -9.134 11.730 4.794 1.00 63.13 C ATOM 1029 OD1 ASN A 70 -8.767 12.790 4.286 1.00 21.22 O ATOM 1030 ND2 ASN A 70 -8.408 11.077 5.694 1.00 64.24 N ATOM 0 H ASN A 70 -10.052 11.833 6.922 1.00 15.21 H new ATOM 0 HA ASN A 70 -12.380 10.894 5.356 1.00 5.43 H new ATOM 0 HB2 ASN A 70 -10.276 10.183 3.853 1.00 43.33 H new ATOM 0 HB3 ASN A 70 -11.000 11.775 3.747 1.00 43.33 H new ATOM 0 HD21 ASN A 70 -7.507 11.451 5.991 1.00 64.24 H new ATOM 0 HD22 ASN A 70 -8.752 10.201 6.089 1.00 64.24 H new ATOM 1037 N PRO A 71 -12.189 8.607 6.297 1.00 53.45 N ATOM 1038 CA PRO A 71 -12.127 7.209 6.731 1.00 61.31 C ATOM 1039 C PRO A 71 -11.600 6.285 5.638 1.00 54.23 C ATOM 1040 O PRO A 71 -10.823 5.370 5.907 1.00 72.24 O ATOM 1041 CB PRO A 71 -13.584 6.874 7.058 1.00 32.41 C ATOM 1042 CG PRO A 71 -14.385 7.815 6.226 1.00 33.15 C ATOM 1043 CD PRO A 71 -13.575 9.078 6.134 1.00 10.32 C ATOM 0 HA PRO A 71 -11.445 7.073 7.571 1.00 61.31 H new ATOM 0 HB2 PRO A 71 -13.815 5.837 6.816 1.00 32.41 H new ATOM 0 HB3 PRO A 71 -13.792 7.008 8.119 1.00 32.41 H new ATOM 0 HG2 PRO A 71 -14.572 7.398 5.236 1.00 33.15 H new ATOM 0 HG3 PRO A 71 -15.357 8.007 6.680 1.00 33.15 H new ATOM 0 HD2 PRO A 71 -13.719 9.579 5.177 1.00 10.32 H new ATOM 0 HD3 PRO A 71 -13.851 9.790 6.911 1.00 10.32 H new ATOM 1051 N ALA A 72 -12.029 6.532 4.404 1.00 24.11 N ATOM 1052 CA ALA A 72 -11.598 5.724 3.270 1.00 30.30 C ATOM 1053 C ALA A 72 -10.648 6.505 2.368 1.00 33.13 C ATOM 1054 O ALA A 72 -9.798 5.923 1.696 1.00 61.43 O ATOM 1055 CB ALA A 72 -12.804 5.241 2.478 1.00 40.14 C ATOM 0 H ALA A 72 -12.674 7.285 4.165 1.00 24.11 H new ATOM 0 HA ALA A 72 -11.060 4.858 3.656 1.00 30.30 H new ATOM 0 HB1 ALA A 72 -12.468 4.639 1.634 1.00 40.14 H new ATOM 0 HB2 ALA A 72 -13.444 4.638 3.122 1.00 40.14 H new ATOM 0 HB3 ALA A 72 -13.365 6.100 2.110 1.00 40.14 H new ATOM 1061 N GLN A 73 -10.800 7.825 2.359 1.00 0.35 N ATOM 1062 CA GLN A 73 -9.956 8.685 1.538 1.00 2.25 C ATOM 1063 C GLN A 73 -10.151 8.385 0.056 1.00 34.11 C ATOM 1064 O GLN A 73 -9.343 8.786 -0.782 1.00 52.31 O ATOM 1065 CB GLN A 73 -8.485 8.504 1.918 1.00 11.20 C ATOM 1066 CG GLN A 73 -8.229 8.581 3.414 1.00 31.15 C ATOM 1067 CD GLN A 73 -6.829 8.138 3.790 1.00 2.05 C ATOM 1068 OE1 GLN A 73 -5.827 8.825 3.255 1.00 35.11 O flip ATOM 1069 NE2 GLN A 73 -6.649 7.189 4.554 1.00 65.24 N flip ATOM 0 H GLN A 73 -11.499 8.322 2.911 1.00 0.35 H new ATOM 0 HA GLN A 73 -10.247 9.719 1.722 1.00 2.25 H new ATOM 0 HB2 GLN A 73 -8.139 7.539 1.548 1.00 11.20 H new ATOM 0 HB3 GLN A 73 -7.892 9.269 1.417 1.00 11.20 H new ATOM 0 HG2 GLN A 73 -8.385 9.605 3.753 1.00 31.15 H new ATOM 0 HG3 GLN A 73 -8.956 7.958 3.936 1.00 31.15 H new ATOM 0 HE21 GLN A 73 -7.448 6.688 4.943 1.00 65.24 H new ATOM 0 HE22 GLN A 73 -5.701 6.904 4.798 1.00 65.24 H new ATOM 1078 N THR A 74 -11.230 7.676 -0.262 1.00 21.51 N ATOM 1079 CA THR A 74 -11.531 7.320 -1.643 1.00 30.12 C ATOM 1080 C THR A 74 -12.167 8.489 -2.386 1.00 0.34 C ATOM 1081 O THR A 74 -12.669 9.429 -1.770 1.00 34.45 O ATOM 1082 CB THR A 74 -12.475 6.105 -1.717 1.00 30.11 C ATOM 1083 OG1 THR A 74 -12.242 5.235 -0.604 1.00 64.51 O ATOM 1084 CG2 THR A 74 -12.272 5.341 -3.016 1.00 71.54 C ATOM 0 H THR A 74 -11.910 7.337 0.419 1.00 21.51 H new ATOM 0 HA THR A 74 -10.583 7.064 -2.117 1.00 30.12 H new ATOM 0 HB THR A 74 -13.502 6.468 -1.684 1.00 30.11 H new ATOM 0 HG1 THR A 74 -12.847 4.466 -0.658 1.00 64.51 H new ATOM 0 HG21 THR A 74 -12.949 4.487 -3.046 1.00 71.54 H new ATOM 0 HG22 THR A 74 -12.479 5.998 -3.861 1.00 71.54 H new ATOM 0 HG23 THR A 74 -11.242 4.989 -3.074 1.00 71.54 H new ATOM 1092 N ALA A 75 -12.142 8.425 -3.713 1.00 34.12 N ATOM 1093 CA ALA A 75 -12.719 9.478 -4.539 1.00 74.34 C ATOM 1094 C ALA A 75 -14.218 9.611 -4.291 1.00 50.33 C ATOM 1095 O ALA A 75 -14.740 10.718 -4.168 1.00 14.23 O ATOM 1096 CB ALA A 75 -12.449 9.201 -6.011 1.00 4.41 C ATOM 0 H ALA A 75 -11.728 7.655 -4.239 1.00 34.12 H new ATOM 0 HA ALA A 75 -12.246 10.421 -4.265 1.00 74.34 H new ATOM 0 HB1 ALA A 75 -12.885 9.995 -6.617 1.00 4.41 H new ATOM 0 HB2 ALA A 75 -11.373 9.163 -6.183 1.00 4.41 H new ATOM 0 HB3 ALA A 75 -12.895 8.246 -6.289 1.00 4.41 H new ATOM 1102 N GLY A 76 -14.905 8.475 -4.220 1.00 52.12 N ATOM 1103 CA GLY A 76 -16.338 8.488 -3.988 1.00 63.11 C ATOM 1104 C GLY A 76 -16.697 8.998 -2.607 1.00 4.43 C ATOM 1105 O GLY A 76 -17.689 9.706 -2.438 1.00 22.23 O ATOM 0 H GLY A 76 -14.495 7.546 -4.319 1.00 52.12 H new ATOM 0 HA2 GLY A 76 -16.819 9.114 -4.740 1.00 63.11 H new ATOM 0 HA3 GLY A 76 -16.732 7.480 -4.113 1.00 63.11 H new ATOM 1109 N ASN A 77 -15.888 8.638 -1.616 1.00 30.54 N ATOM 1110 CA ASN A 77 -16.127 9.062 -0.241 1.00 11.20 C ATOM 1111 C ASN A 77 -15.822 10.547 -0.069 1.00 44.14 C ATOM 1112 O ASN A 77 -16.690 11.330 0.317 1.00 44.02 O ATOM 1113 CB ASN A 77 -15.272 8.239 0.725 1.00 14.20 C ATOM 1114 CG ASN A 77 -15.753 6.806 0.845 1.00 62.35 C ATOM 1115 OD1 ASN A 77 -15.159 5.891 0.274 1.00 61.31 O ATOM 1116 ND2 ASN A 77 -16.834 6.604 1.589 1.00 2.30 N ATOM 0 H ASN A 77 -15.061 8.054 -1.739 1.00 30.54 H new ATOM 0 HA ASN A 77 -17.180 8.897 -0.014 1.00 11.20 H new ATOM 0 HB2 ASN A 77 -14.237 8.245 0.385 1.00 14.20 H new ATOM 0 HB3 ASN A 77 -15.287 8.708 1.709 1.00 14.20 H new ATOM 0 HD21 ASN A 77 -17.204 5.661 1.705 1.00 2.30 H new ATOM 0 HD22 ASN A 77 -17.294 7.392 2.044 1.00 2.30 H new ATOM 1123 N VAL A 78 -14.582 10.928 -0.360 1.00 25.13 N ATOM 1124 CA VAL A 78 -14.161 12.319 -0.240 1.00 31.25 C ATOM 1125 C VAL A 78 -15.066 13.239 -1.052 1.00 21.44 C ATOM 1126 O VAL A 78 -15.247 14.408 -0.711 1.00 71.21 O ATOM 1127 CB VAL A 78 -12.705 12.507 -0.705 1.00 50.22 C ATOM 1128 CG1 VAL A 78 -11.777 11.566 0.048 1.00 53.00 C ATOM 1129 CG2 VAL A 78 -12.594 12.290 -2.207 1.00 0.03 C ATOM 0 H VAL A 78 -13.851 10.293 -0.681 1.00 25.13 H new ATOM 0 HA VAL A 78 -14.234 12.582 0.815 1.00 31.25 H new ATOM 0 HB VAL A 78 -12.401 13.530 -0.485 1.00 50.22 H new ATOM 0 HG11 VAL A 78 -10.753 11.714 -0.295 1.00 53.00 H new ATOM 0 HG12 VAL A 78 -11.836 11.774 1.116 1.00 53.00 H new ATOM 0 HG13 VAL A 78 -12.076 10.534 -0.137 1.00 53.00 H new ATOM 0 HG21 VAL A 78 -11.559 12.427 -2.519 1.00 0.03 H new ATOM 0 HG22 VAL A 78 -12.917 11.278 -2.453 1.00 0.03 H new ATOM 0 HG23 VAL A 78 -13.227 13.009 -2.726 1.00 0.03 H new ATOM 1139 N PHE A 79 -15.633 12.703 -2.128 1.00 23.35 N ATOM 1140 CA PHE A 79 -16.519 13.475 -2.990 1.00 13.54 C ATOM 1141 C PHE A 79 -17.657 14.095 -2.184 1.00 35.21 C ATOM 1142 O PHE A 79 -17.964 15.278 -2.331 1.00 22.43 O ATOM 1143 CB PHE A 79 -17.088 12.588 -4.098 1.00 74.24 C ATOM 1144 CG PHE A 79 -18.158 13.257 -4.912 1.00 54.44 C ATOM 1145 CD1 PHE A 79 -17.840 14.277 -5.795 1.00 11.13 C ATOM 1146 CD2 PHE A 79 -19.483 12.867 -4.795 1.00 2.31 C ATOM 1147 CE1 PHE A 79 -18.822 14.895 -6.546 1.00 13.24 C ATOM 1148 CE2 PHE A 79 -20.469 13.481 -5.543 1.00 51.34 C ATOM 1149 CZ PHE A 79 -20.139 14.497 -6.419 1.00 3.31 C ATOM 0 H PHE A 79 -15.494 11.737 -2.423 1.00 23.35 H new ATOM 0 HA PHE A 79 -15.937 14.278 -3.441 1.00 13.54 H new ATOM 0 HB2 PHE A 79 -16.278 12.282 -4.760 1.00 74.24 H new ATOM 0 HB3 PHE A 79 -17.496 11.681 -3.652 1.00 74.24 H new ATOM 0 HD1 PHE A 79 -16.812 14.593 -5.897 1.00 11.13 H new ATOM 0 HD2 PHE A 79 -19.748 12.074 -4.111 1.00 2.31 H new ATOM 0 HE1 PHE A 79 -18.560 15.688 -7.231 1.00 13.24 H new ATOM 0 HE2 PHE A 79 -21.497 13.167 -5.443 1.00 51.34 H new ATOM 0 HZ PHE A 79 -20.909 14.979 -7.003 1.00 3.31 H new ATOM 1159 N MET A 80 -18.280 13.286 -1.333 1.00 14.00 N ATOM 1160 CA MET A 80 -19.384 13.754 -0.503 1.00 55.32 C ATOM 1161 C MET A 80 -18.890 14.160 0.882 1.00 62.53 C ATOM 1162 O MET A 80 -19.579 14.868 1.616 1.00 73.40 O ATOM 1163 CB MET A 80 -20.453 12.667 -0.378 1.00 32.22 C ATOM 1164 CG MET A 80 -21.865 13.215 -0.247 1.00 31.42 C ATOM 1165 SD MET A 80 -23.111 12.089 -0.905 1.00 4.10 S ATOM 1166 CE MET A 80 -24.616 12.920 -0.404 1.00 52.13 C ATOM 0 H MET A 80 -18.039 12.304 -1.200 1.00 14.00 H new ATOM 0 HA MET A 80 -19.821 14.629 -0.984 1.00 55.32 H new ATOM 0 HB2 MET A 80 -20.404 12.018 -1.252 1.00 32.22 H new ATOM 0 HB3 MET A 80 -20.230 12.048 0.491 1.00 32.22 H new ATOM 0 HG2 MET A 80 -22.078 13.412 0.804 1.00 31.42 H new ATOM 0 HG3 MET A 80 -21.930 14.169 -0.770 1.00 31.42 H new ATOM 0 HE1 MET A 80 -25.479 12.344 -0.739 1.00 52.13 H new ATOM 0 HE2 MET A 80 -24.639 13.008 0.682 1.00 52.13 H new ATOM 0 HE3 MET A 80 -24.648 13.914 -0.850 1.00 52.13 H new ATOM 1176 N LYS A 81 -17.691 13.706 1.233 1.00 35.12 N ATOM 1177 CA LYS A 81 -17.103 14.022 2.529 1.00 33.45 C ATOM 1178 C LYS A 81 -16.795 15.511 2.639 1.00 42.43 C ATOM 1179 O LYS A 81 -17.243 16.181 3.570 1.00 43.34 O ATOM 1180 CB LYS A 81 -15.825 13.208 2.744 1.00 10.13 C ATOM 1181 CG LYS A 81 -15.468 13.011 4.207 1.00 34.45 C ATOM 1182 CD LYS A 81 -16.439 12.065 4.895 1.00 23.12 C ATOM 1183 CE LYS A 81 -16.332 10.654 4.337 1.00 24.14 C ATOM 1184 NZ LYS A 81 -16.943 9.649 5.250 1.00 30.33 N ATOM 0 H LYS A 81 -17.108 13.118 0.638 1.00 35.12 H new ATOM 0 HA LYS A 81 -17.827 13.762 3.301 1.00 33.45 H new ATOM 0 HB2 LYS A 81 -15.942 12.232 2.273 1.00 10.13 H new ATOM 0 HB3 LYS A 81 -14.997 13.708 2.241 1.00 10.13 H new ATOM 0 HG2 LYS A 81 -14.455 12.615 4.285 1.00 34.45 H new ATOM 0 HG3 LYS A 81 -15.474 13.974 4.717 1.00 34.45 H new ATOM 0 HD2 LYS A 81 -16.237 12.050 5.966 1.00 23.12 H new ATOM 0 HD3 LYS A 81 -17.458 12.432 4.768 1.00 23.12 H new ATOM 0 HE2 LYS A 81 -16.825 10.609 3.366 1.00 24.14 H new ATOM 0 HE3 LYS A 81 -15.283 10.406 4.174 1.00 24.14 H new ATOM 0 HZ1 LYS A 81 -16.732 8.691 4.903 1.00 30.33 H new ATOM 0 HZ2 LYS A 81 -16.551 9.765 6.206 1.00 30.33 H new ATOM 0 HZ3 LYS A 81 -17.973 9.787 5.279 1.00 30.33 H new ATOM 1198 N TYR A 82 -16.029 16.024 1.682 1.00 22.21 N ATOM 1199 CA TYR A 82 -15.660 17.434 1.672 1.00 40.43 C ATOM 1200 C TYR A 82 -16.241 18.140 0.450 1.00 11.55 C ATOM 1201 O TYR A 82 -16.514 19.340 0.484 1.00 73.51 O ATOM 1202 CB TYR A 82 -14.138 17.585 1.686 1.00 41.33 C ATOM 1203 CG TYR A 82 -13.436 16.562 2.550 1.00 41.05 C ATOM 1204 CD1 TYR A 82 -12.404 15.784 2.039 1.00 72.30 C ATOM 1205 CD2 TYR A 82 -13.805 16.373 3.876 1.00 64.34 C ATOM 1206 CE1 TYR A 82 -11.760 14.847 2.824 1.00 33.02 C ATOM 1207 CE2 TYR A 82 -13.165 15.440 4.669 1.00 73.55 C ATOM 1208 CZ TYR A 82 -12.144 14.679 4.138 1.00 11.03 C ATOM 1209 OH TYR A 82 -11.506 13.747 4.925 1.00 43.35 O ATOM 0 H TYR A 82 -15.652 15.484 0.903 1.00 22.21 H new ATOM 0 HA TYR A 82 -16.072 17.898 2.568 1.00 40.43 H new ATOM 0 HB2 TYR A 82 -13.764 17.504 0.665 1.00 41.33 H new ATOM 0 HB3 TYR A 82 -13.884 18.584 2.041 1.00 41.33 H new ATOM 0 HD1 TYR A 82 -12.100 15.914 1.011 1.00 72.30 H new ATOM 0 HD2 TYR A 82 -14.606 16.965 4.294 1.00 64.34 H new ATOM 0 HE1 TYR A 82 -10.961 14.250 2.411 1.00 33.02 H new ATOM 0 HE2 TYR A 82 -13.462 15.307 5.699 1.00 73.55 H new ATOM 0 HH TYR A 82 -11.100 14.194 5.697 1.00 43.35 H new ATOM 1219 N GLY A 83 -16.428 17.386 -0.628 1.00 60.13 N ATOM 1220 CA GLY A 83 -16.976 17.955 -1.846 1.00 21.23 C ATOM 1221 C GLY A 83 -16.315 19.266 -2.222 1.00 23.04 C ATOM 1222 O GLY A 83 -16.984 20.290 -2.353 1.00 14.11 O ATOM 0 H GLY A 83 -16.210 16.391 -0.680 1.00 60.13 H new ATOM 0 HA2 GLY A 83 -16.855 17.243 -2.663 1.00 21.23 H new ATOM 0 HA3 GLY A 83 -18.047 18.115 -1.719 1.00 21.23 H new ATOM 1226 N GLN A 84 -14.997 19.235 -2.393 1.00 72.34 N ATOM 1227 CA GLN A 84 -14.246 20.431 -2.754 1.00 3.10 C ATOM 1228 C GLN A 84 -14.308 21.470 -1.639 1.00 31.30 C ATOM 1229 O GLN A 84 -15.120 21.360 -0.721 1.00 73.12 O ATOM 1230 CB GLN A 84 -14.788 21.028 -4.054 1.00 35.52 C ATOM 1231 CG GLN A 84 -15.022 19.996 -5.145 1.00 74.25 C ATOM 1232 CD GLN A 84 -15.619 20.600 -6.401 1.00 43.24 C ATOM 1233 OE1 GLN A 84 -16.557 21.394 -6.337 1.00 14.52 O ATOM 1234 NE2 GLN A 84 -15.075 20.227 -7.554 1.00 73.50 N ATOM 0 H GLN A 84 -14.428 18.395 -2.287 1.00 72.34 H new ATOM 0 HA GLN A 84 -13.205 20.144 -2.901 1.00 3.10 H new ATOM 0 HB2 GLN A 84 -15.726 21.543 -3.845 1.00 35.52 H new ATOM 0 HB3 GLN A 84 -14.087 21.779 -4.419 1.00 35.52 H new ATOM 0 HG2 GLN A 84 -14.076 19.514 -5.392 1.00 74.25 H new ATOM 0 HG3 GLN A 84 -15.687 19.219 -4.768 1.00 74.25 H new ATOM 0 HE21 GLN A 84 -14.298 19.566 -7.561 1.00 73.50 H new ATOM 0 HE22 GLN A 84 -15.434 20.602 -8.432 1.00 73.50 H new ATOM 1243 N GLU A 85 -13.445 22.477 -1.726 1.00 23.21 N ATOM 1244 CA GLU A 85 -13.402 23.534 -0.723 1.00 1.23 C ATOM 1245 C GLU A 85 -12.930 22.989 0.622 1.00 4.52 C ATOM 1246 O GLU A 85 -13.459 23.355 1.672 1.00 34.41 O ATOM 1247 CB GLU A 85 -14.782 24.178 -0.569 1.00 24.43 C ATOM 1248 CG GLU A 85 -14.737 25.691 -0.442 1.00 3.15 C ATOM 1249 CD GLU A 85 -14.832 26.392 -1.783 1.00 1.33 C ATOM 1250 OE1 GLU A 85 -14.161 25.943 -2.735 1.00 62.23 O ATOM 1251 OE2 GLU A 85 -15.577 27.390 -1.880 1.00 24.22 O ATOM 0 H GLU A 85 -12.767 22.583 -2.480 1.00 23.21 H new ATOM 0 HA GLU A 85 -12.692 24.290 -1.059 1.00 1.23 H new ATOM 0 HB2 GLU A 85 -15.396 23.912 -1.430 1.00 24.43 H new ATOM 0 HB3 GLU A 85 -15.271 23.762 0.312 1.00 24.43 H new ATOM 0 HG2 GLU A 85 -15.556 26.023 0.196 1.00 3.15 H new ATOM 0 HG3 GLU A 85 -13.810 25.983 0.052 1.00 3.15 H new ATOM 1258 N ILE A 86 -11.931 22.114 0.581 1.00 1.14 N ATOM 1259 CA ILE A 86 -11.387 21.519 1.796 1.00 41.40 C ATOM 1260 C ILE A 86 -10.092 22.209 2.213 1.00 34.24 C ATOM 1261 O ILE A 86 -9.297 22.622 1.369 1.00 31.14 O ATOM 1262 CB ILE A 86 -11.118 20.014 1.614 1.00 31.11 C ATOM 1263 CG1 ILE A 86 -10.493 19.428 2.882 1.00 41.41 C ATOM 1264 CG2 ILE A 86 -10.214 19.779 0.414 1.00 65.34 C ATOM 1265 CD1 ILE A 86 -10.193 17.949 2.780 1.00 2.31 C ATOM 0 H ILE A 86 -11.482 21.801 -0.280 1.00 1.14 H new ATOM 0 HA ILE A 86 -12.136 21.654 2.577 1.00 41.40 H new ATOM 0 HB ILE A 86 -12.067 19.510 1.433 1.00 31.11 H new ATOM 0 HG12 ILE A 86 -9.570 19.963 3.103 1.00 41.41 H new ATOM 0 HG13 ILE A 86 -11.168 19.597 3.721 1.00 41.41 H new ATOM 0 HG21 ILE A 86 -10.033 18.710 0.299 1.00 65.34 H new ATOM 0 HG22 ILE A 86 -10.695 20.165 -0.485 1.00 65.34 H new ATOM 0 HG23 ILE A 86 -9.265 20.293 0.567 1.00 65.34 H new ATOM 0 HD11 ILE A 86 -9.752 17.602 3.714 1.00 2.31 H new ATOM 0 HD12 ILE A 86 -11.117 17.403 2.590 1.00 2.31 H new ATOM 0 HD13 ILE A 86 -9.494 17.775 1.962 1.00 2.31 H new ATOM 1277 N ARG A 87 -9.887 22.328 3.521 1.00 20.10 N ATOM 1278 CA ARG A 87 -8.688 22.967 4.051 1.00 33.40 C ATOM 1279 C ARG A 87 -7.731 21.930 4.631 1.00 61.40 C ATOM 1280 O ARG A 87 -8.158 20.908 5.170 1.00 62.51 O ATOM 1281 CB ARG A 87 -9.062 23.989 5.126 1.00 32.31 C ATOM 1282 CG ARG A 87 -8.797 25.428 4.717 1.00 41.15 C ATOM 1283 CD ARG A 87 -7.307 25.729 4.674 1.00 41.55 C ATOM 1284 NE ARG A 87 -6.948 26.842 5.550 1.00 60.55 N ATOM 1285 CZ ARG A 87 -7.243 28.110 5.286 1.00 33.40 C ATOM 1286 NH1 ARG A 87 -7.899 28.424 4.178 1.00 53.43 N ATOM 1287 NH2 ARG A 87 -6.883 29.066 6.132 1.00 23.35 N ATOM 0 H ARG A 87 -10.535 21.991 4.233 1.00 20.10 H new ATOM 0 HA ARG A 87 -8.187 23.480 3.230 1.00 33.40 H new ATOM 0 HB2 ARG A 87 -10.119 23.878 5.369 1.00 32.31 H new ATOM 0 HB3 ARG A 87 -8.501 23.769 6.035 1.00 32.31 H new ATOM 0 HG2 ARG A 87 -9.236 25.616 3.737 1.00 41.15 H new ATOM 0 HG3 ARG A 87 -9.286 26.103 5.420 1.00 41.15 H new ATOM 0 HD2 ARG A 87 -6.749 24.841 4.969 1.00 41.55 H new ATOM 0 HD3 ARG A 87 -7.014 25.964 3.651 1.00 41.55 H new ATOM 0 HE ARG A 87 -6.443 26.634 6.412 1.00 60.55 H new ATOM 0 HH11 ARG A 87 -8.179 27.691 3.526 1.00 53.43 H new ATOM 0 HH12 ARG A 87 -8.124 29.398 3.978 1.00 53.43 H new ATOM 0 HH21 ARG A 87 -6.379 28.828 6.986 1.00 23.35 H new ATOM 0 HH22 ARG A 87 -7.110 30.039 5.928 1.00 23.35 H new ATOM 1301 N LEU A 88 -6.435 22.199 4.516 1.00 12.03 N ATOM 1302 CA LEU A 88 -5.416 21.289 5.029 1.00 53.33 C ATOM 1303 C LEU A 88 -4.784 21.842 6.302 1.00 31.52 C ATOM 1304 O LEU A 88 -4.276 22.963 6.319 1.00 65.15 O ATOM 1305 CB LEU A 88 -4.337 21.053 3.971 1.00 41.12 C ATOM 1306 CG LEU A 88 -3.205 20.105 4.367 1.00 22.21 C ATOM 1307 CD1 LEU A 88 -2.780 19.255 3.180 1.00 70.03 C ATOM 1308 CD2 LEU A 88 -2.021 20.888 4.916 1.00 62.42 C ATOM 0 H LEU A 88 -6.065 23.040 4.072 1.00 12.03 H new ATOM 0 HA LEU A 88 -5.897 20.340 5.267 1.00 53.33 H new ATOM 0 HB2 LEU A 88 -4.816 20.660 3.074 1.00 41.12 H new ATOM 0 HB3 LEU A 88 -3.901 22.016 3.704 1.00 41.12 H new ATOM 0 HG LEU A 88 -3.571 19.441 5.150 1.00 22.21 H new ATOM 0 HD11 LEU A 88 -1.973 18.587 3.481 1.00 70.03 H new ATOM 0 HD12 LEU A 88 -3.628 18.666 2.832 1.00 70.03 H new ATOM 0 HD13 LEU A 88 -2.433 19.902 2.375 1.00 70.03 H new ATOM 0 HD21 LEU A 88 -1.225 20.197 5.193 1.00 62.42 H new ATOM 0 HD22 LEU A 88 -1.655 21.577 4.154 1.00 62.42 H new ATOM 0 HD23 LEU A 88 -2.334 21.452 5.795 1.00 62.42 H new ATOM 1320 N ILE A 89 -4.818 21.046 7.366 1.00 1.32 N ATOM 1321 CA ILE A 89 -4.245 21.455 8.643 1.00 72.41 C ATOM 1322 C ILE A 89 -3.531 20.291 9.322 1.00 34.14 C ATOM 1323 O ILE A 89 -3.837 19.121 9.089 1.00 0.32 O ATOM 1324 CB ILE A 89 -5.324 22.006 9.593 1.00 34.34 C ATOM 1325 CG1 ILE A 89 -6.531 21.066 9.630 1.00 30.31 C ATOM 1326 CG2 ILE A 89 -5.747 23.402 9.162 1.00 1.22 C ATOM 1327 CD1 ILE A 89 -7.091 20.855 11.019 1.00 10.14 C ATOM 0 H ILE A 89 -5.236 20.115 7.369 1.00 1.32 H new ATOM 0 HA ILE A 89 -3.525 22.245 8.428 1.00 72.41 H new ATOM 0 HB ILE A 89 -4.905 22.068 10.597 1.00 34.34 H new ATOM 0 HG12 ILE A 89 -7.315 21.469 8.989 1.00 30.31 H new ATOM 0 HG13 ILE A 89 -6.243 20.101 9.213 1.00 30.31 H new ATOM 0 HG21 ILE A 89 -6.510 23.778 9.844 1.00 1.22 H new ATOM 0 HG22 ILE A 89 -4.883 24.067 9.183 1.00 1.22 H new ATOM 0 HG23 ILE A 89 -6.151 23.364 8.150 1.00 1.22 H new ATOM 0 HD11 ILE A 89 -7.944 20.178 10.968 1.00 10.14 H new ATOM 0 HD12 ILE A 89 -6.322 20.423 11.659 1.00 10.14 H new ATOM 0 HD13 ILE A 89 -7.411 21.812 11.431 1.00 10.14 H new ATOM 1339 N PRO A 90 -2.558 20.617 10.185 1.00 23.15 N ATOM 1340 CA PRO A 90 -1.781 19.613 10.919 1.00 34.11 C ATOM 1341 C PRO A 90 -2.614 18.896 11.977 1.00 65.12 C ATOM 1342 O PRO A 90 -2.825 19.417 13.072 1.00 22.00 O ATOM 1343 CB PRO A 90 -0.671 20.435 11.579 1.00 55.13 C ATOM 1344 CG PRO A 90 -1.239 21.807 11.701 1.00 4.25 C ATOM 1345 CD PRO A 90 -2.140 21.991 10.512 1.00 31.31 C ATOM 0 HA PRO A 90 -1.413 18.824 10.264 1.00 34.11 H new ATOM 0 HB2 PRO A 90 -0.404 20.029 12.555 1.00 55.13 H new ATOM 0 HB3 PRO A 90 0.236 20.434 10.974 1.00 55.13 H new ATOM 0 HG2 PRO A 90 -1.795 21.918 12.632 1.00 4.25 H new ATOM 0 HG3 PRO A 90 -0.448 22.557 11.711 1.00 4.25 H new ATOM 0 HD2 PRO A 90 -2.994 22.625 10.749 1.00 31.31 H new ATOM 0 HD3 PRO A 90 -1.616 22.461 9.680 1.00 31.31 H new ATOM 1353 N ARG A 91 -3.083 17.698 11.642 1.00 1.43 N ATOM 1354 CA ARG A 91 -3.893 16.911 12.564 1.00 64.52 C ATOM 1355 C ARG A 91 -3.205 15.590 12.899 1.00 74.02 C ATOM 1356 O ARG A 91 -2.535 14.996 12.054 1.00 20.13 O ATOM 1357 CB ARG A 91 -5.273 16.641 11.961 1.00 3.11 C ATOM 1358 CG ARG A 91 -6.349 16.372 13.000 1.00 11.41 C ATOM 1359 CD ARG A 91 -7.087 17.646 13.380 1.00 55.55 C ATOM 1360 NE ARG A 91 -7.899 17.472 14.581 1.00 31.50 N ATOM 1361 CZ ARG A 91 -8.836 18.331 14.967 1.00 61.35 C ATOM 1362 NH1 ARG A 91 -9.078 19.419 14.248 1.00 34.44 N ATOM 1363 NH2 ARG A 91 -9.533 18.102 16.072 1.00 0.12 N ATOM 0 H ARG A 91 -2.916 17.252 10.740 1.00 1.43 H new ATOM 0 HA ARG A 91 -4.012 17.483 13.484 1.00 64.52 H new ATOM 0 HB2 ARG A 91 -5.570 17.498 11.356 1.00 3.11 H new ATOM 0 HB3 ARG A 91 -5.206 15.785 11.290 1.00 3.11 H new ATOM 0 HG2 ARG A 91 -7.058 15.642 12.610 1.00 11.41 H new ATOM 0 HG3 ARG A 91 -5.896 15.933 13.889 1.00 11.41 H new ATOM 0 HD2 ARG A 91 -6.366 18.447 13.543 1.00 55.55 H new ATOM 0 HD3 ARG A 91 -7.726 17.955 12.553 1.00 55.55 H new ATOM 0 HE ARG A 91 -7.738 16.645 15.156 1.00 31.50 H new ATOM 0 HH11 ARG A 91 -8.544 19.597 13.397 1.00 34.44 H new ATOM 0 HH12 ARG A 91 -9.798 20.077 14.546 1.00 34.44 H new ATOM 0 HH21 ARG A 91 -9.350 17.266 16.626 1.00 0.12 H new ATOM 0 HH22 ARG A 91 -10.252 18.762 16.367 1.00 0.12 H new ATOM 1377 N ASP A 92 -3.377 15.137 14.136 1.00 45.31 N ATOM 1378 CA ASP A 92 -2.773 13.887 14.583 1.00 55.02 C ATOM 1379 C ASP A 92 -1.251 13.976 14.551 1.00 1.23 C ATOM 1380 O ASP A 92 -0.563 12.964 14.423 1.00 65.32 O ATOM 1381 CB ASP A 92 -3.247 12.726 13.707 1.00 30.00 C ATOM 1382 CG ASP A 92 -3.399 11.436 14.489 1.00 61.25 C ATOM 1383 OD1 ASP A 92 -3.102 10.362 13.925 1.00 62.44 O ATOM 1384 OD2 ASP A 92 -3.814 11.500 15.664 1.00 12.23 O ATOM 0 H ASP A 92 -3.929 15.616 14.847 1.00 45.31 H new ATOM 0 HA ASP A 92 -3.086 13.708 15.612 1.00 55.02 H new ATOM 0 HB2 ASP A 92 -4.202 12.985 13.250 1.00 30.00 H new ATOM 0 HB3 ASP A 92 -2.536 12.574 12.895 1.00 30.00 H new ATOM 1389 N ARG A 93 -0.732 15.194 14.668 1.00 11.22 N ATOM 1390 CA ARG A 93 0.709 15.416 14.651 1.00 72.34 C ATOM 1391 C ARG A 93 1.145 16.254 15.849 1.00 74.11 C ATOM 1392 O ARG A 93 1.798 15.754 16.765 1.00 44.34 O ATOM 1393 CB ARG A 93 1.124 16.109 13.352 1.00 51.13 C ATOM 1394 CG ARG A 93 2.617 16.379 13.255 1.00 34.24 C ATOM 1395 CD ARG A 93 3.301 15.397 12.318 1.00 72.45 C ATOM 1396 NE ARG A 93 4.749 15.376 12.508 1.00 74.01 N ATOM 1397 CZ ARG A 93 5.604 14.931 11.594 1.00 73.10 C ATOM 1398 NH1 ARG A 93 5.159 14.473 10.432 1.00 35.53 N ATOM 1399 NH2 ARG A 93 6.907 14.944 11.841 1.00 4.41 N ATOM 0 H ARG A 93 -1.288 16.042 14.776 1.00 11.22 H new ATOM 0 HA ARG A 93 1.201 14.445 14.711 1.00 72.34 H new ATOM 0 HB2 ARG A 93 0.820 15.491 12.507 1.00 51.13 H new ATOM 0 HB3 ARG A 93 0.586 17.053 13.266 1.00 51.13 H new ATOM 0 HG2 ARG A 93 2.781 17.397 12.901 1.00 34.24 H new ATOM 0 HG3 ARG A 93 3.065 16.310 14.246 1.00 34.24 H new ATOM 0 HD2 ARG A 93 2.899 14.398 12.484 1.00 72.45 H new ATOM 0 HD3 ARG A 93 3.075 15.664 11.286 1.00 72.45 H new ATOM 0 HE ARG A 93 5.124 15.722 13.391 1.00 74.01 H new ATOM 0 HH11 ARG A 93 4.158 14.462 10.238 1.00 35.53 H new ATOM 0 HH12 ARG A 93 5.818 14.132 9.732 1.00 35.53 H new ATOM 0 HH21 ARG A 93 7.253 15.296 12.734 1.00 4.41 H new ATOM 0 HH22 ARG A 93 7.563 14.602 11.138 1.00 4.41 H new ATOM 1413 N VAL A 94 0.778 17.532 15.836 1.00 62.35 N ATOM 1414 CA VAL A 94 1.130 18.439 16.921 1.00 44.43 C ATOM 1415 C VAL A 94 0.456 18.026 18.224 1.00 53.12 C ATOM 1416 O VAL A 94 1.112 17.871 19.253 1.00 72.32 O ATOM 1417 CB VAL A 94 0.736 19.891 16.589 1.00 72.21 C ATOM 1418 CG1 VAL A 94 1.102 20.820 17.737 1.00 72.45 C ATOM 1419 CG2 VAL A 94 1.399 20.340 15.296 1.00 41.51 C ATOM 0 H VAL A 94 0.237 17.962 15.086 1.00 62.35 H new ATOM 0 HA VAL A 94 2.212 18.383 17.042 1.00 44.43 H new ATOM 0 HB VAL A 94 -0.344 19.933 16.450 1.00 72.21 H new ATOM 0 HG11 VAL A 94 0.816 21.841 17.484 1.00 72.45 H new ATOM 0 HG12 VAL A 94 0.575 20.509 18.639 1.00 72.45 H new ATOM 0 HG13 VAL A 94 2.177 20.777 17.911 1.00 72.45 H new ATOM 0 HG21 VAL A 94 1.110 21.368 15.077 1.00 41.51 H new ATOM 0 HG22 VAL A 94 2.482 20.283 15.404 1.00 41.51 H new ATOM 0 HG23 VAL A 94 1.081 19.691 14.480 1.00 41.51 H new ATOM 1429 N GLY A 95 -0.861 17.849 18.172 1.00 72.21 N ATOM 1430 CA GLY A 95 -1.604 17.455 19.355 1.00 62.53 C ATOM 1431 C GLY A 95 -1.578 15.956 19.583 1.00 52.24 C ATOM 1432 O GLY A 95 -1.808 15.177 18.658 1.00 41.02 O ATOM 0 H GLY A 95 -1.426 17.971 17.332 1.00 72.21 H new ATOM 0 HA2 GLY A 95 -1.187 17.959 20.227 1.00 62.53 H new ATOM 0 HA3 GLY A 95 -2.638 17.787 19.258 1.00 62.53 H new