USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 680 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 23 MET CE :methyl 172:sc= 0 (180deg=-0.103) USER MOD Single : A 34 ASN : amide:sc= -0.465 K(o=-0.46,f=-5.7!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -1.51! C(o=-2.9!,f=-1.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -120:sc= -3.34 (180deg=-6.11!) USER MOD Single : A 60 THR OG1 : rot 131:sc= 0.668 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00959 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 77:sc= 2.11 USER MOD Single : A 75 GLN : amide:sc= -0.0769 K(o=-0.077,f=-0.83) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -78:sc= 0.654 USER MOD Single : A 92 ASN :FLIP amide:sc= -1.07 F(o=-3.9!,f=-1.1) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 110 N ALA A 10 3.429 -3.935 -15.064 1.00 44.24 N ATOM 111 CA ALA A 10 3.701 -2.776 -15.919 1.00 42.40 C ATOM 112 C ALA A 10 4.838 -3.057 -16.911 1.00 14.12 C ATOM 113 O ALA A 10 5.529 -4.077 -16.810 1.00 13.05 O ATOM 114 CB ALA A 10 4.014 -1.540 -15.075 1.00 54.12 C ATOM 0 HA ALA A 10 2.799 -2.580 -16.499 1.00 42.40 H new ATOM 0 HB1 ALA A 10 4.213 -0.692 -15.731 1.00 54.12 H new ATOM 0 HB2 ALA A 10 3.162 -1.312 -14.435 1.00 54.12 H new ATOM 0 HB3 ALA A 10 4.891 -1.734 -14.457 1.00 54.12 H new ATOM 120 N PRO A 11 5.018 -2.177 -17.919 1.00 54.43 N ATOM 121 CA PRO A 11 6.174 -2.238 -18.823 1.00 71.24 C ATOM 122 C PRO A 11 7.486 -2.192 -18.037 1.00 64.50 C ATOM 123 O PRO A 11 7.579 -1.485 -17.038 1.00 62.50 O ATOM 124 CB PRO A 11 6.025 -0.984 -19.698 1.00 45.15 C ATOM 125 CG PRO A 11 4.582 -0.609 -19.608 1.00 54.04 C ATOM 126 CD PRO A 11 4.100 -1.073 -18.264 1.00 14.42 C ATOM 0 HA PRO A 11 6.202 -3.160 -19.404 1.00 71.24 H new ATOM 0 HB2 PRO A 11 6.664 -0.177 -19.340 1.00 45.15 H new ATOM 0 HB3 PRO A 11 6.315 -1.187 -20.729 1.00 45.15 H new ATOM 0 HG2 PRO A 11 4.455 0.468 -19.714 1.00 54.04 H new ATOM 0 HG3 PRO A 11 4.009 -1.078 -20.408 1.00 54.04 H new ATOM 0 HD2 PRO A 11 4.143 -0.272 -17.526 1.00 14.42 H new ATOM 0 HD3 PRO A 11 3.065 -1.412 -18.306 1.00 14.42 H new ATOM 134 N ALA A 12 8.491 -2.933 -18.496 1.00 21.03 N ATOM 135 CA ALA A 12 9.764 -3.053 -17.780 1.00 15.25 C ATOM 136 C ALA A 12 10.361 -1.681 -17.443 1.00 2.40 C ATOM 137 O ALA A 12 10.617 -1.377 -16.273 1.00 11.11 O ATOM 138 CB ALA A 12 10.753 -3.883 -18.597 1.00 51.35 C ATOM 0 H ALA A 12 8.450 -3.464 -19.366 1.00 21.03 H new ATOM 0 HA ALA A 12 9.567 -3.562 -16.836 1.00 15.25 H new ATOM 0 HB1 ALA A 12 11.695 -3.965 -18.054 1.00 51.35 H new ATOM 0 HB2 ALA A 12 10.342 -4.879 -18.763 1.00 51.35 H new ATOM 0 HB3 ALA A 12 10.929 -3.398 -19.557 1.00 51.35 H new ATOM 144 N GLU A 13 10.557 -0.851 -18.467 1.00 15.10 N ATOM 145 CA GLU A 13 11.177 0.462 -18.296 1.00 60.32 C ATOM 146 C GLU A 13 10.324 1.353 -17.392 1.00 40.23 C ATOM 147 O GLU A 13 10.842 2.053 -16.519 1.00 32.51 O ATOM 148 CB GLU A 13 11.373 1.144 -19.659 1.00 25.15 C ATOM 149 CG GLU A 13 12.188 0.328 -20.658 1.00 70.04 C ATOM 150 CD GLU A 13 13.552 -0.073 -20.119 1.00 13.43 C ATOM 151 OE1 GLU A 13 14.384 0.822 -19.855 1.00 62.13 O ATOM 152 OE2 GLU A 13 13.805 -1.285 -19.967 1.00 22.23 O ATOM 0 H GLU A 13 10.294 -1.067 -19.429 1.00 15.10 H new ATOM 0 HA GLU A 13 12.150 0.316 -17.826 1.00 60.32 H new ATOM 0 HB2 GLU A 13 10.395 1.354 -20.091 1.00 25.15 H new ATOM 0 HB3 GLU A 13 11.865 2.104 -19.504 1.00 25.15 H new ATOM 0 HG2 GLU A 13 11.631 -0.569 -20.927 1.00 70.04 H new ATOM 0 HG3 GLU A 13 12.320 0.908 -21.572 1.00 70.04 H new ATOM 159 N GLU A 14 9.014 1.312 -17.610 1.00 21.41 N ATOM 160 CA GLU A 14 8.068 2.129 -16.850 1.00 23.13 C ATOM 161 C GLU A 14 8.114 1.748 -15.369 1.00 32.53 C ATOM 162 O GLU A 14 8.274 2.605 -14.490 1.00 52.44 O ATOM 163 CB GLU A 14 6.659 1.930 -17.421 1.00 55.21 C ATOM 164 CG GLU A 14 5.592 2.836 -16.823 1.00 10.33 C ATOM 165 CD GLU A 14 4.242 2.644 -17.496 1.00 4.22 C ATOM 166 OE1 GLU A 14 4.099 3.041 -18.674 1.00 0.23 O ATOM 167 OE2 GLU A 14 3.319 2.095 -16.858 1.00 64.34 O ATOM 0 H GLU A 14 8.578 0.716 -18.313 1.00 21.41 H new ATOM 0 HA GLU A 14 8.340 3.181 -16.935 1.00 23.13 H new ATOM 0 HB2 GLU A 14 6.693 2.094 -18.498 1.00 55.21 H new ATOM 0 HB3 GLU A 14 6.363 0.893 -17.266 1.00 55.21 H new ATOM 0 HG2 GLU A 14 5.498 2.631 -15.757 1.00 10.33 H new ATOM 0 HG3 GLU A 14 5.902 3.876 -16.922 1.00 10.33 H new ATOM 174 N LEU A 15 8.021 0.444 -15.119 1.00 73.21 N ATOM 175 CA LEU A 15 8.045 -0.102 -13.769 1.00 50.02 C ATOM 176 C LEU A 15 9.284 0.367 -13.020 1.00 4.41 C ATOM 177 O LEU A 15 9.205 0.717 -11.852 1.00 64.43 O ATOM 178 CB LEU A 15 8.017 -1.638 -13.810 1.00 73.23 C ATOM 179 CG LEU A 15 8.081 -2.338 -12.439 1.00 71.23 C ATOM 180 CD1 LEU A 15 6.830 -2.043 -11.613 1.00 41.43 C ATOM 181 CD2 LEU A 15 8.291 -3.844 -12.605 1.00 32.42 C ATOM 0 H LEU A 15 7.927 -0.262 -15.849 1.00 73.21 H new ATOM 0 HA LEU A 15 7.160 0.257 -13.245 1.00 50.02 H new ATOM 0 HB2 LEU A 15 7.106 -1.954 -14.318 1.00 73.23 H new ATOM 0 HB3 LEU A 15 8.855 -1.984 -14.415 1.00 73.23 H new ATOM 0 HG LEU A 15 8.938 -1.938 -11.897 1.00 71.23 H new ATOM 0 HD11 LEU A 15 6.902 -2.549 -10.650 1.00 41.43 H new ATOM 0 HD12 LEU A 15 6.745 -0.968 -11.452 1.00 41.43 H new ATOM 0 HD13 LEU A 15 5.949 -2.401 -12.146 1.00 41.43 H new ATOM 0 HD21 LEU A 15 8.333 -4.316 -11.623 1.00 32.42 H new ATOM 0 HD22 LEU A 15 7.464 -4.266 -13.176 1.00 32.42 H new ATOM 0 HD23 LEU A 15 9.226 -4.025 -13.135 1.00 32.42 H new ATOM 193 N LEU A 16 10.424 0.377 -13.705 1.00 30.53 N ATOM 194 CA LEU A 16 11.691 0.769 -13.089 1.00 15.33 C ATOM 195 C LEU A 16 11.571 2.140 -12.421 1.00 0.15 C ATOM 196 O LEU A 16 11.811 2.281 -11.220 1.00 44.42 O ATOM 197 CB LEU A 16 12.812 0.785 -14.139 1.00 54.35 C ATOM 198 CG LEU A 16 14.212 1.141 -13.604 1.00 51.03 C ATOM 199 CD1 LEU A 16 14.663 0.140 -12.542 1.00 41.22 C ATOM 200 CD2 LEU A 16 15.224 1.212 -14.745 1.00 2.22 C ATOM 0 H LEU A 16 10.498 0.118 -14.689 1.00 30.53 H new ATOM 0 HA LEU A 16 11.938 0.036 -12.321 1.00 15.33 H new ATOM 0 HB2 LEU A 16 12.860 -0.197 -14.610 1.00 54.35 H new ATOM 0 HB3 LEU A 16 12.547 1.499 -14.918 1.00 54.35 H new ATOM 0 HG LEU A 16 14.154 2.124 -13.137 1.00 51.03 H new ATOM 0 HD11 LEU A 16 15.654 0.414 -12.181 1.00 41.22 H new ATOM 0 HD12 LEU A 16 13.958 0.150 -11.710 1.00 41.22 H new ATOM 0 HD13 LEU A 16 14.699 -0.859 -12.976 1.00 41.22 H new ATOM 0 HD21 LEU A 16 16.206 1.465 -14.345 1.00 2.22 H new ATOM 0 HD22 LEU A 16 15.274 0.246 -15.247 1.00 2.22 H new ATOM 0 HD23 LEU A 16 14.915 1.976 -15.458 1.00 2.22 H new ATOM 212 N ALA A 17 11.174 3.137 -13.202 1.00 33.02 N ATOM 213 CA ALA A 17 11.080 4.507 -12.709 1.00 13.23 C ATOM 214 C ALA A 17 9.988 4.640 -11.648 1.00 42.54 C ATOM 215 O ALA A 17 10.233 5.137 -10.531 1.00 64.02 O ATOM 216 CB ALA A 17 10.814 5.457 -13.870 1.00 0.22 C ATOM 0 H ALA A 17 10.911 3.023 -14.181 1.00 33.02 H new ATOM 0 HA ALA A 17 12.029 4.770 -12.242 1.00 13.23 H new ATOM 0 HB1 ALA A 17 10.745 6.478 -13.496 1.00 0.22 H new ATOM 0 HB2 ALA A 17 11.629 5.389 -14.590 1.00 0.22 H new ATOM 0 HB3 ALA A 17 9.877 5.184 -14.356 1.00 0.22 H new ATOM 222 N ASP A 18 8.789 4.169 -11.992 1.00 34.54 N ATOM 223 CA ASP A 18 7.635 4.295 -11.108 1.00 55.14 C ATOM 224 C ASP A 18 7.876 3.583 -9.782 1.00 4.42 C ATOM 225 O ASP A 18 7.596 4.137 -8.721 1.00 2.53 O ATOM 226 CB ASP A 18 6.360 3.764 -11.779 1.00 64.44 C ATOM 227 CG ASP A 18 5.785 4.744 -12.792 1.00 42.23 C ATOM 228 OD1 ASP A 18 6.086 4.618 -13.994 1.00 23.34 O ATOM 229 OD2 ASP A 18 5.030 5.657 -12.385 1.00 74.42 O ATOM 0 H ASP A 18 8.594 3.698 -12.875 1.00 34.54 H new ATOM 0 HA ASP A 18 7.495 5.357 -10.904 1.00 55.14 H new ATOM 0 HB2 ASP A 18 6.581 2.820 -12.276 1.00 64.44 H new ATOM 0 HB3 ASP A 18 5.611 3.554 -11.015 1.00 64.44 H new ATOM 234 N VAL A 19 8.413 2.368 -9.836 1.00 52.25 N ATOM 235 CA VAL A 19 8.668 1.605 -8.619 1.00 51.21 C ATOM 236 C VAL A 19 9.834 2.219 -7.853 1.00 70.14 C ATOM 237 O VAL A 19 9.852 2.192 -6.625 1.00 5.13 O ATOM 238 CB VAL A 19 8.954 0.097 -8.891 1.00 71.23 C ATOM 239 CG1 VAL A 19 10.397 -0.142 -9.348 1.00 25.05 C ATOM 240 CG2 VAL A 19 8.632 -0.744 -7.656 1.00 11.22 C ATOM 0 H VAL A 19 8.678 1.895 -10.700 1.00 52.25 H new ATOM 0 HA VAL A 19 7.757 1.654 -8.023 1.00 51.21 H new ATOM 0 HB VAL A 19 8.301 -0.214 -9.707 1.00 71.23 H new ATOM 0 HG11 VAL A 19 10.551 -1.206 -9.526 1.00 25.05 H new ATOM 0 HG12 VAL A 19 10.583 0.410 -10.269 1.00 25.05 H new ATOM 0 HG13 VAL A 19 11.085 0.200 -8.575 1.00 25.05 H new ATOM 0 HG21 VAL A 19 8.838 -1.793 -7.866 1.00 11.22 H new ATOM 0 HG22 VAL A 19 9.248 -0.414 -6.820 1.00 11.22 H new ATOM 0 HG23 VAL A 19 7.579 -0.626 -7.400 1.00 11.22 H new ATOM 250 N GLU A 20 10.807 2.775 -8.579 1.00 23.40 N ATOM 251 CA GLU A 20 11.944 3.441 -7.950 1.00 34.52 C ATOM 252 C GLU A 20 11.452 4.553 -7.030 1.00 34.21 C ATOM 253 O GLU A 20 11.823 4.616 -5.854 1.00 62.53 O ATOM 254 CB GLU A 20 12.893 4.018 -9.008 1.00 13.40 C ATOM 255 CG GLU A 20 14.113 4.720 -8.425 1.00 32.44 C ATOM 256 CD GLU A 20 14.992 5.337 -9.496 1.00 53.10 C ATOM 257 OE1 GLU A 20 15.858 4.624 -10.046 1.00 2.32 O ATOM 258 OE2 GLU A 20 14.816 6.537 -9.800 1.00 54.13 O ATOM 0 H GLU A 20 10.828 2.776 -9.599 1.00 23.40 H new ATOM 0 HA GLU A 20 12.492 2.704 -7.363 1.00 34.52 H new ATOM 0 HB2 GLU A 20 13.227 3.212 -9.661 1.00 13.40 H new ATOM 0 HB3 GLU A 20 12.342 4.724 -9.630 1.00 13.40 H new ATOM 0 HG2 GLU A 20 13.786 5.498 -7.735 1.00 32.44 H new ATOM 0 HG3 GLU A 20 14.698 4.005 -7.846 1.00 32.44 H new ATOM 265 N GLU A 21 10.599 5.423 -7.567 1.00 3.33 N ATOM 266 CA GLU A 21 10.043 6.512 -6.773 1.00 62.53 C ATOM 267 C GLU A 21 9.015 5.997 -5.762 1.00 43.53 C ATOM 268 O GLU A 21 8.977 6.461 -4.618 1.00 33.24 O ATOM 269 CB GLU A 21 9.423 7.586 -7.671 1.00 53.14 C ATOM 270 CG GLU A 21 10.460 8.401 -8.435 1.00 11.35 C ATOM 271 CD GLU A 21 9.885 9.670 -9.033 1.00 34.45 C ATOM 272 OE1 GLU A 21 9.222 10.428 -8.293 1.00 53.05 O ATOM 273 OE2 GLU A 21 10.120 9.936 -10.230 1.00 54.44 O ATOM 0 H GLU A 21 10.282 5.395 -8.536 1.00 3.33 H new ATOM 0 HA GLU A 21 10.864 6.963 -6.217 1.00 62.53 H new ATOM 0 HB2 GLU A 21 8.748 7.110 -8.382 1.00 53.14 H new ATOM 0 HB3 GLU A 21 8.820 8.258 -7.060 1.00 53.14 H new ATOM 0 HG2 GLU A 21 11.279 8.660 -7.764 1.00 11.35 H new ATOM 0 HG3 GLU A 21 10.882 7.788 -9.231 1.00 11.35 H new ATOM 280 N ALA A 22 8.199 5.029 -6.173 1.00 20.44 N ATOM 281 CA ALA A 22 7.186 4.447 -5.287 1.00 23.23 C ATOM 282 C ALA A 22 7.835 3.896 -4.019 1.00 1.43 C ATOM 283 O ALA A 22 7.396 4.179 -2.904 1.00 3.25 O ATOM 284 CB ALA A 22 6.399 3.352 -6.006 1.00 25.14 C ATOM 0 H ALA A 22 8.217 4.630 -7.111 1.00 20.44 H new ATOM 0 HA ALA A 22 6.489 5.236 -5.003 1.00 23.23 H new ATOM 0 HB1 ALA A 22 5.654 2.935 -5.329 1.00 25.14 H new ATOM 0 HB2 ALA A 22 5.901 3.775 -6.878 1.00 25.14 H new ATOM 0 HB3 ALA A 22 7.081 2.563 -6.325 1.00 25.14 H new ATOM 290 N MET A 23 8.912 3.145 -4.206 1.00 21.11 N ATOM 291 CA MET A 23 9.660 2.546 -3.101 1.00 73.43 C ATOM 292 C MET A 23 10.314 3.620 -2.235 1.00 62.43 C ATOM 293 O MET A 23 10.802 3.330 -1.148 1.00 13.40 O ATOM 294 CB MET A 23 10.738 1.592 -3.635 1.00 60.05 C ATOM 295 CG MET A 23 10.190 0.336 -4.303 1.00 35.22 C ATOM 296 SD MET A 23 9.261 -0.714 -3.167 1.00 62.12 S ATOM 297 CE MET A 23 8.795 -2.054 -4.262 1.00 63.44 C ATOM 0 H MET A 23 9.295 2.932 -5.127 1.00 21.11 H new ATOM 0 HA MET A 23 8.954 1.985 -2.489 1.00 73.43 H new ATOM 0 HB2 MET A 23 11.359 2.129 -4.352 1.00 60.05 H new ATOM 0 HB3 MET A 23 11.386 1.297 -2.810 1.00 60.05 H new ATOM 0 HG2 MET A 23 9.545 0.624 -5.133 1.00 35.22 H new ATOM 0 HG3 MET A 23 11.017 -0.236 -4.725 1.00 35.22 H new ATOM 0 HE1 MET A 23 8.337 -2.855 -3.682 1.00 63.44 H new ATOM 0 HE2 MET A 23 8.082 -1.689 -5.001 1.00 63.44 H new ATOM 0 HE3 MET A 23 9.682 -2.434 -4.769 1.00 63.44 H new ATOM 307 N ARG A 24 10.350 4.850 -2.738 1.00 40.43 N ATOM 308 CA ARG A 24 10.969 5.970 -2.030 1.00 4.34 C ATOM 309 C ARG A 24 9.909 6.793 -1.289 1.00 12.10 C ATOM 310 O ARG A 24 10.238 7.691 -0.511 1.00 51.15 O ATOM 311 CB ARG A 24 11.721 6.850 -3.042 1.00 14.32 C ATOM 312 CG ARG A 24 12.472 8.027 -2.427 1.00 34.02 C ATOM 313 CD ARG A 24 13.081 8.923 -3.498 1.00 74.03 C ATOM 314 NE ARG A 24 12.065 9.477 -4.397 1.00 4.31 N ATOM 315 CZ ARG A 24 12.262 10.513 -5.214 1.00 61.25 C ATOM 316 NH1 ARG A 24 13.450 11.101 -5.296 1.00 64.22 N ATOM 317 NH2 ARG A 24 11.263 10.951 -5.964 1.00 20.22 N ATOM 0 H ARG A 24 9.953 5.100 -3.644 1.00 40.43 H new ATOM 0 HA ARG A 24 11.671 5.585 -1.291 1.00 4.34 H new ATOM 0 HB2 ARG A 24 12.431 6.228 -3.587 1.00 14.32 H new ATOM 0 HB3 ARG A 24 11.007 7.233 -3.771 1.00 14.32 H new ATOM 0 HG2 ARG A 24 11.791 8.610 -1.807 1.00 34.02 H new ATOM 0 HG3 ARG A 24 13.260 7.655 -1.772 1.00 34.02 H new ATOM 0 HD2 ARG A 24 13.626 9.738 -3.021 1.00 74.03 H new ATOM 0 HD3 ARG A 24 13.806 8.352 -4.079 1.00 74.03 H new ATOM 0 HE ARG A 24 11.143 9.040 -4.398 1.00 4.31 H new ATOM 0 HH11 ARG A 24 14.227 10.761 -4.730 1.00 64.22 H new ATOM 0 HH12 ARG A 24 13.585 11.892 -5.925 1.00 64.22 H new ATOM 0 HH21 ARG A 24 10.351 10.497 -5.915 1.00 20.22 H new ATOM 0 HH22 ARG A 24 11.405 11.743 -6.591 1.00 20.22 H new ATOM 331 N ASP A 25 8.635 6.473 -1.519 1.00 20.43 N ATOM 332 CA ASP A 25 7.530 7.259 -0.955 1.00 64.44 C ATOM 333 C ASP A 25 6.665 6.391 -0.051 1.00 5.14 C ATOM 334 O ASP A 25 6.044 6.873 0.895 1.00 5.10 O ATOM 335 CB ASP A 25 6.687 7.864 -2.087 1.00 32.43 C ATOM 336 CG ASP A 25 5.562 8.756 -1.582 1.00 22.04 C ATOM 337 OD1 ASP A 25 4.391 8.532 -1.964 1.00 4.44 O ATOM 338 OD2 ASP A 25 5.846 9.705 -0.822 1.00 10.52 O ATOM 0 H ASP A 25 8.341 5.680 -2.089 1.00 20.43 H new ATOM 0 HA ASP A 25 7.945 8.069 -0.355 1.00 64.44 H new ATOM 0 HB2 ASP A 25 7.335 8.444 -2.745 1.00 32.43 H new ATOM 0 HB3 ASP A 25 6.263 7.059 -2.686 1.00 32.43 H new ATOM 343 N VAL A 26 6.659 5.102 -0.355 1.00 3.43 N ATOM 344 CA VAL A 26 5.915 4.109 0.399 1.00 13.03 C ATOM 345 C VAL A 26 6.717 3.637 1.619 1.00 43.15 C ATOM 346 O VAL A 26 6.151 3.196 2.622 1.00 22.25 O ATOM 347 CB VAL A 26 5.577 2.911 -0.525 1.00 55.04 C ATOM 348 CG1 VAL A 26 5.047 1.733 0.272 1.00 41.14 C ATOM 349 CG2 VAL A 26 4.573 3.334 -1.600 1.00 54.24 C ATOM 0 H VAL A 26 7.178 4.713 -1.142 1.00 3.43 H new ATOM 0 HA VAL A 26 4.990 4.558 0.761 1.00 13.03 H new ATOM 0 HB VAL A 26 6.497 2.592 -1.015 1.00 55.04 H new ATOM 0 HG11 VAL A 26 4.819 0.909 -0.404 1.00 41.14 H new ATOM 0 HG12 VAL A 26 5.800 1.413 0.993 1.00 41.14 H new ATOM 0 HG13 VAL A 26 4.141 2.029 0.801 1.00 41.14 H new ATOM 0 HG21 VAL A 26 4.346 2.482 -2.241 1.00 54.24 H new ATOM 0 HG22 VAL A 26 3.657 3.685 -1.125 1.00 54.24 H new ATOM 0 HG23 VAL A 26 5.000 4.137 -2.201 1.00 54.24 H new ATOM 359 N VAL A 27 8.039 3.732 1.519 1.00 20.44 N ATOM 360 CA VAL A 27 8.929 3.339 2.608 1.00 75.45 C ATOM 361 C VAL A 27 9.127 4.512 3.566 1.00 31.15 C ATOM 362 O VAL A 27 8.974 5.668 3.168 1.00 55.30 O ATOM 363 CB VAL A 27 10.318 2.897 2.060 1.00 3.12 C ATOM 364 CG1 VAL A 27 11.130 4.106 1.588 1.00 54.33 C ATOM 365 CG2 VAL A 27 11.098 2.092 3.097 1.00 12.41 C ATOM 0 H VAL A 27 8.521 4.080 0.690 1.00 20.44 H new ATOM 0 HA VAL A 27 8.470 2.500 3.132 1.00 75.45 H new ATOM 0 HB VAL A 27 10.141 2.248 1.202 1.00 3.12 H new ATOM 0 HG11 VAL A 27 12.096 3.771 1.210 1.00 54.33 H new ATOM 0 HG12 VAL A 27 10.588 4.621 0.794 1.00 54.33 H new ATOM 0 HG13 VAL A 27 11.285 4.789 2.423 1.00 54.33 H new ATOM 0 HG21 VAL A 27 12.062 1.800 2.681 1.00 12.41 H new ATOM 0 HG22 VAL A 27 11.256 2.701 3.987 1.00 12.41 H new ATOM 0 HG23 VAL A 27 10.533 1.199 3.365 1.00 12.41 H new ATOM 375 N ASP A 28 9.455 4.221 4.822 1.00 74.22 N ATOM 376 CA ASP A 28 9.901 5.262 5.738 1.00 72.34 C ATOM 377 C ASP A 28 11.403 5.434 5.554 1.00 42.54 C ATOM 378 O ASP A 28 12.185 4.605 6.029 1.00 54.13 O ATOM 379 CB ASP A 28 9.585 4.910 7.197 1.00 32.41 C ATOM 380 CG ASP A 28 10.009 6.017 8.159 1.00 20.11 C ATOM 381 OD1 ASP A 28 11.204 6.074 8.532 1.00 30.42 O ATOM 382 OD2 ASP A 28 9.153 6.848 8.535 1.00 31.15 O ATOM 0 H ASP A 28 9.421 3.284 5.224 1.00 74.22 H new ATOM 0 HA ASP A 28 9.373 6.189 5.513 1.00 72.34 H new ATOM 0 HB2 ASP A 28 8.515 4.729 7.302 1.00 32.41 H new ATOM 0 HB3 ASP A 28 10.093 3.984 7.464 1.00 32.41 H new ATOM 387 N PRO A 29 11.829 6.490 4.836 1.00 33.41 N ATOM 388 CA PRO A 29 13.222 6.669 4.442 1.00 73.13 C ATOM 389 C PRO A 29 14.060 7.329 5.538 1.00 31.33 C ATOM 390 O PRO A 29 15.289 7.383 5.442 1.00 33.35 O ATOM 391 CB PRO A 29 13.128 7.559 3.182 1.00 0.00 C ATOM 392 CG PRO A 29 11.690 7.996 3.071 1.00 12.21 C ATOM 393 CD PRO A 29 11.001 7.601 4.353 1.00 32.54 C ATOM 0 HA PRO A 29 13.724 5.719 4.258 1.00 73.13 H new ATOM 0 HB2 PRO A 29 13.790 8.421 3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.435 7.007 2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.627 9.073 2.917 1.00 12.21 H new ATOM 0 HG3 PRO A 29 11.209 7.523 2.215 1.00 12.21 H new ATOM 0 HD2 PRO A 29 10.972 8.424 5.067 1.00 32.54 H new ATOM 0 HD3 PRO A 29 9.970 7.292 4.180 1.00 32.54 H new ATOM 401 N GLU A 30 13.393 7.828 6.580 1.00 13.21 N ATOM 402 CA GLU A 30 14.087 8.438 7.709 1.00 23.20 C ATOM 403 C GLU A 30 14.855 7.378 8.490 1.00 3.03 C ATOM 404 O GLU A 30 16.071 7.484 8.681 1.00 20.20 O ATOM 405 CB GLU A 30 13.108 9.166 8.639 1.00 42.52 C ATOM 406 CG GLU A 30 13.787 9.784 9.859 1.00 3.23 C ATOM 407 CD GLU A 30 12.835 10.584 10.731 1.00 14.02 C ATOM 408 OE1 GLU A 30 12.564 11.758 10.396 1.00 30.31 O ATOM 409 OE2 GLU A 30 12.357 10.055 11.755 1.00 13.44 O ATOM 0 H GLU A 30 12.376 7.821 6.663 1.00 13.21 H new ATOM 0 HA GLU A 30 14.788 9.172 7.313 1.00 23.20 H new ATOM 0 HB2 GLU A 30 12.599 9.950 8.078 1.00 42.52 H new ATOM 0 HB3 GLU A 30 12.343 8.464 8.973 1.00 42.52 H new ATOM 0 HG2 GLU A 30 14.238 8.992 10.456 1.00 3.23 H new ATOM 0 HG3 GLU A 30 14.597 10.433 9.526 1.00 3.23 H new ATOM 416 N LEU A 31 14.136 6.356 8.944 1.00 22.55 N ATOM 417 CA LEU A 31 14.746 5.248 9.674 1.00 63.23 C ATOM 418 C LEU A 31 15.085 4.113 8.707 1.00 41.42 C ATOM 419 O LEU A 31 15.897 3.236 9.014 1.00 54.31 O ATOM 420 CB LEU A 31 13.803 4.755 10.781 1.00 23.40 C ATOM 421 CG LEU A 31 13.316 5.834 11.765 1.00 41.40 C ATOM 422 CD1 LEU A 31 12.376 5.228 12.806 1.00 74.03 C ATOM 423 CD2 LEU A 31 14.498 6.531 12.441 1.00 14.13 C ATOM 0 H LEU A 31 13.127 6.272 8.819 1.00 22.55 H new ATOM 0 HA LEU A 31 15.667 5.594 10.142 1.00 63.23 H new ATOM 0 HB2 LEU A 31 12.933 4.294 10.314 1.00 23.40 H new ATOM 0 HB3 LEU A 31 14.312 3.975 11.347 1.00 23.40 H new ATOM 0 HG LEU A 31 12.763 6.584 11.200 1.00 41.40 H new ATOM 0 HD11 LEU A 31 12.043 6.007 13.492 1.00 74.03 H new ATOM 0 HD12 LEU A 31 11.512 4.791 12.305 1.00 74.03 H new ATOM 0 HD13 LEU A 31 12.902 4.453 13.364 1.00 74.03 H new ATOM 0 HD21 LEU A 31 14.127 7.289 13.131 1.00 14.13 H new ATOM 0 HD22 LEU A 31 15.087 5.797 12.990 1.00 14.13 H new ATOM 0 HD23 LEU A 31 15.123 7.005 11.684 1.00 14.13 H new ATOM 435 N GLY A 32 14.456 4.144 7.535 1.00 44.32 N ATOM 436 CA GLY A 32 14.767 3.192 6.481 1.00 42.20 C ATOM 437 C GLY A 32 14.081 1.851 6.669 1.00 11.53 C ATOM 438 O GLY A 32 14.742 0.811 6.703 1.00 65.40 O ATOM 0 H GLY A 32 13.729 4.818 7.295 1.00 44.32 H new ATOM 0 HA2 GLY A 32 14.471 3.613 5.520 1.00 42.20 H new ATOM 0 HA3 GLY A 32 15.846 3.040 6.444 1.00 42.20 H new ATOM 442 N ILE A 33 12.751 1.860 6.781 1.00 42.30 N ATOM 443 CA ILE A 33 11.990 0.618 6.956 1.00 42.14 C ATOM 444 C ILE A 33 10.702 0.642 6.134 1.00 5.53 C ATOM 445 O ILE A 33 10.037 1.674 6.027 1.00 3.54 O ATOM 446 CB ILE A 33 11.625 0.314 8.443 1.00 22.32 C ATOM 447 CG1 ILE A 33 10.706 1.397 9.049 1.00 3.22 C ATOM 448 CG2 ILE A 33 12.885 0.134 9.292 1.00 74.53 C ATOM 449 CD1 ILE A 33 11.390 2.717 9.334 1.00 54.14 C ATOM 0 H ILE A 33 12.181 2.705 6.754 1.00 42.30 H new ATOM 0 HA ILE A 33 12.652 -0.174 6.606 1.00 42.14 H new ATOM 0 HB ILE A 33 11.068 -0.623 8.449 1.00 22.32 H new ATOM 0 HG12 ILE A 33 9.875 1.573 8.366 1.00 3.22 H new ATOM 0 HG13 ILE A 33 10.280 1.016 9.977 1.00 3.22 H new ATOM 0 HG21 ILE A 33 12.602 -0.077 10.323 1.00 74.53 H new ATOM 0 HG22 ILE A 33 13.472 -0.696 8.900 1.00 74.53 H new ATOM 0 HG23 ILE A 33 13.480 1.047 9.258 1.00 74.53 H new ATOM 0 HD11 ILE A 33 10.669 3.416 9.757 1.00 54.14 H new ATOM 0 HD12 ILE A 33 12.203 2.560 10.043 1.00 54.14 H new ATOM 0 HD13 ILE A 33 11.791 3.126 8.407 1.00 54.14 H new ATOM 461 N ASN A 34 10.369 -0.501 5.543 1.00 23.25 N ATOM 462 CA ASN A 34 9.132 -0.658 4.784 1.00 24.42 C ATOM 463 C ASN A 34 8.106 -1.411 5.629 1.00 43.51 C ATOM 464 O ASN A 34 8.444 -2.377 6.311 1.00 72.14 O ATOM 465 CB ASN A 34 9.391 -1.407 3.461 1.00 22.10 C ATOM 466 CG ASN A 34 9.976 -2.802 3.658 1.00 31.15 C ATOM 467 OD1 ASN A 34 10.711 -3.054 4.614 1.00 43.13 O ATOM 468 ND2 ASN A 34 9.661 -3.714 2.748 1.00 13.23 N ATOM 0 H ASN A 34 10.946 -1.342 5.576 1.00 23.25 H new ATOM 0 HA ASN A 34 8.742 0.330 4.540 1.00 24.42 H new ATOM 0 HB2 ASN A 34 8.455 -1.489 2.909 1.00 22.10 H new ATOM 0 HB3 ASN A 34 10.073 -0.819 2.847 1.00 22.10 H new ATOM 0 HD21 ASN A 34 10.031 -4.661 2.826 1.00 13.23 H new ATOM 0 HD22 ASN A 34 9.049 -3.468 1.970 1.00 13.23 H new ATOM 475 N VAL A 35 6.852 -0.964 5.584 1.00 62.24 N ATOM 476 CA VAL A 35 5.785 -1.565 6.388 1.00 13.42 C ATOM 477 C VAL A 35 5.604 -3.052 6.052 1.00 70.42 C ATOM 478 O VAL A 35 5.161 -3.844 6.889 1.00 62.44 O ATOM 479 CB VAL A 35 4.443 -0.813 6.191 1.00 73.02 C ATOM 480 CG1 VAL A 35 4.570 0.643 6.642 1.00 45.23 C ATOM 481 CG2 VAL A 35 3.980 -0.894 4.735 1.00 43.02 C ATOM 0 H VAL A 35 6.548 -0.186 4.998 1.00 62.24 H new ATOM 0 HA VAL A 35 6.083 -1.479 7.433 1.00 13.42 H new ATOM 0 HB VAL A 35 3.688 -1.297 6.810 1.00 73.02 H new ATOM 0 HG11 VAL A 35 3.618 1.154 6.496 1.00 45.23 H new ATOM 0 HG12 VAL A 35 4.840 0.675 7.697 1.00 45.23 H new ATOM 0 HG13 VAL A 35 5.342 1.140 6.055 1.00 45.23 H new ATOM 0 HG21 VAL A 35 3.037 -0.359 4.623 1.00 43.02 H new ATOM 0 HG22 VAL A 35 4.732 -0.443 4.088 1.00 43.02 H new ATOM 0 HG23 VAL A 35 3.840 -1.938 4.455 1.00 43.02 H new ATOM 491 N VAL A 36 5.984 -3.423 4.830 1.00 2.15 N ATOM 492 CA VAL A 36 5.886 -4.808 4.368 1.00 72.20 C ATOM 493 C VAL A 36 6.657 -5.747 5.300 1.00 51.45 C ATOM 494 O VAL A 36 6.332 -6.930 5.416 1.00 72.31 O ATOM 495 CB VAL A 36 6.428 -4.954 2.921 1.00 33.24 C ATOM 496 CG1 VAL A 36 6.265 -6.384 2.404 1.00 33.11 C ATOM 497 CG2 VAL A 36 5.743 -3.959 1.988 1.00 23.20 C ATOM 0 H VAL A 36 6.365 -2.779 4.137 1.00 2.15 H new ATOM 0 HA VAL A 36 4.831 -5.082 4.377 1.00 72.20 H new ATOM 0 HB VAL A 36 7.495 -4.731 2.941 1.00 33.24 H new ATOM 0 HG11 VAL A 36 6.655 -6.450 1.388 1.00 33.11 H new ATOM 0 HG12 VAL A 36 6.815 -7.069 3.049 1.00 33.11 H new ATOM 0 HG13 VAL A 36 5.209 -6.653 2.406 1.00 33.11 H new ATOM 0 HG21 VAL A 36 6.136 -4.077 0.978 1.00 23.20 H new ATOM 0 HG22 VAL A 36 4.669 -4.145 1.983 1.00 23.20 H new ATOM 0 HG23 VAL A 36 5.934 -2.944 2.336 1.00 23.20 H new ATOM 507 N ASP A 37 7.661 -5.191 5.984 1.00 51.52 N ATOM 508 CA ASP A 37 8.530 -5.957 6.882 1.00 54.43 C ATOM 509 C ASP A 37 7.739 -6.592 8.029 1.00 12.12 C ATOM 510 O ASP A 37 8.182 -7.576 8.627 1.00 23.22 O ATOM 511 CB ASP A 37 9.634 -5.049 7.447 1.00 12.43 C ATOM 512 CG ASP A 37 10.640 -5.799 8.309 1.00 41.40 C ATOM 513 OD1 ASP A 37 10.555 -5.716 9.554 1.00 63.44 O ATOM 514 OD2 ASP A 37 11.525 -6.476 7.744 1.00 73.42 O ATOM 0 H ASP A 37 7.894 -4.199 5.931 1.00 51.52 H new ATOM 0 HA ASP A 37 8.981 -6.762 6.301 1.00 54.43 H new ATOM 0 HB2 ASP A 37 10.159 -4.568 6.621 1.00 12.43 H new ATOM 0 HB3 ASP A 37 9.177 -4.256 8.039 1.00 12.43 H new ATOM 519 N LEU A 38 6.560 -6.036 8.327 1.00 53.21 N ATOM 520 CA LEU A 38 5.702 -6.578 9.389 1.00 4.52 C ATOM 521 C LEU A 38 5.081 -7.914 8.962 1.00 72.33 C ATOM 522 O LEU A 38 4.417 -8.585 9.753 1.00 53.45 O ATOM 523 CB LEU A 38 4.602 -5.569 9.775 1.00 61.20 C ATOM 524 CG LEU A 38 5.057 -4.383 10.655 1.00 24.24 C ATOM 525 CD1 LEU A 38 5.659 -4.887 11.965 1.00 31.44 C ATOM 526 CD2 LEU A 38 6.047 -3.485 9.911 1.00 74.23 C ATOM 0 H LEU A 38 6.179 -5.217 7.853 1.00 53.21 H new ATOM 0 HA LEU A 38 6.325 -6.756 10.265 1.00 4.52 H new ATOM 0 HB2 LEU A 38 4.163 -5.171 8.860 1.00 61.20 H new ATOM 0 HB3 LEU A 38 3.812 -6.105 10.301 1.00 61.20 H new ATOM 0 HG LEU A 38 4.178 -3.782 10.888 1.00 24.24 H new ATOM 0 HD11 LEU A 38 5.974 -4.038 12.571 1.00 31.44 H new ATOM 0 HD12 LEU A 38 4.913 -5.465 12.510 1.00 31.44 H new ATOM 0 HD13 LEU A 38 6.521 -5.518 11.750 1.00 31.44 H new ATOM 0 HD21 LEU A 38 6.347 -2.661 10.558 1.00 74.23 H new ATOM 0 HD22 LEU A 38 6.926 -4.066 9.632 1.00 74.23 H new ATOM 0 HD23 LEU A 38 5.574 -3.088 9.013 1.00 74.23 H new ATOM 538 N GLY A 39 5.296 -8.271 7.698 1.00 32.45 N ATOM 539 CA GLY A 39 4.857 -9.551 7.161 1.00 43.14 C ATOM 540 C GLY A 39 3.358 -9.785 7.258 1.00 14.13 C ATOM 541 O GLY A 39 2.903 -10.931 7.227 1.00 22.11 O ATOM 0 H GLY A 39 5.779 -7.681 7.021 1.00 32.45 H new ATOM 0 HA2 GLY A 39 5.157 -9.616 6.115 1.00 43.14 H new ATOM 0 HA3 GLY A 39 5.374 -10.351 7.691 1.00 43.14 H new ATOM 545 N LEU A 40 2.586 -8.706 7.356 1.00 44.41 N ATOM 546 CA LEU A 40 1.126 -8.802 7.300 1.00 62.45 C ATOM 547 C LEU A 40 0.638 -8.481 5.889 1.00 53.54 C ATOM 548 O LEU A 40 -0.347 -9.049 5.415 1.00 45.23 O ATOM 549 CB LEU A 40 0.477 -7.865 8.326 1.00 52.42 C ATOM 550 CG LEU A 40 -1.064 -7.873 8.349 1.00 65.23 C ATOM 551 CD1 LEU A 40 -1.611 -9.277 8.589 1.00 55.31 C ATOM 552 CD2 LEU A 40 -1.585 -6.915 9.409 1.00 1.44 C ATOM 0 H LEU A 40 2.943 -7.758 7.474 1.00 44.41 H new ATOM 0 HA LEU A 40 0.833 -9.822 7.549 1.00 62.45 H new ATOM 0 HB2 LEU A 40 0.839 -8.134 9.318 1.00 52.42 H new ATOM 0 HB3 LEU A 40 0.815 -6.848 8.128 1.00 52.42 H new ATOM 0 HG LEU A 40 -1.412 -7.541 7.371 1.00 65.23 H new ATOM 0 HD11 LEU A 40 -2.701 -9.246 8.599 1.00 55.31 H new ATOM 0 HD12 LEU A 40 -1.274 -9.940 7.792 1.00 55.31 H new ATOM 0 HD13 LEU A 40 -1.250 -9.649 9.548 1.00 55.31 H new ATOM 0 HD21 LEU A 40 -2.675 -6.933 9.412 1.00 1.44 H new ATOM 0 HD22 LEU A 40 -1.215 -7.219 10.388 1.00 1.44 H new ATOM 0 HD23 LEU A 40 -1.239 -5.905 9.188 1.00 1.44 H new ATOM 564 N VAL A 41 1.376 -7.597 5.209 1.00 42.14 N ATOM 565 CA VAL A 41 1.062 -7.204 3.831 1.00 12.43 C ATOM 566 C VAL A 41 1.143 -8.420 2.901 1.00 75.23 C ATOM 567 O VAL A 41 0.676 -8.392 1.764 1.00 63.04 O ATOM 568 CB VAL A 41 2.030 -6.091 3.336 1.00 23.34 C ATOM 569 CG1 VAL A 41 1.658 -5.612 1.929 1.00 51.25 C ATOM 570 CG2 VAL A 41 2.051 -4.915 4.316 1.00 40.14 C ATOM 0 H VAL A 41 2.201 -7.137 5.594 1.00 42.14 H new ATOM 0 HA VAL A 41 0.046 -6.809 3.814 1.00 12.43 H new ATOM 0 HB VAL A 41 3.031 -6.521 3.289 1.00 23.34 H new ATOM 0 HG11 VAL A 41 2.354 -4.835 1.613 1.00 51.25 H new ATOM 0 HG12 VAL A 41 1.710 -6.450 1.234 1.00 51.25 H new ATOM 0 HG13 VAL A 41 0.645 -5.210 1.937 1.00 51.25 H new ATOM 0 HG21 VAL A 41 2.734 -4.149 3.950 1.00 40.14 H new ATOM 0 HG22 VAL A 41 1.049 -4.496 4.403 1.00 40.14 H new ATOM 0 HG23 VAL A 41 2.385 -5.262 5.294 1.00 40.14 H new ATOM 580 N TYR A 42 1.742 -9.489 3.418 1.00 53.55 N ATOM 581 CA TYR A 42 1.826 -10.765 2.717 1.00 13.12 C ATOM 582 C TYR A 42 0.423 -11.260 2.351 1.00 1.34 C ATOM 583 O TYR A 42 0.230 -11.948 1.344 1.00 60.04 O ATOM 584 CB TYR A 42 2.552 -11.782 3.613 1.00 12.01 C ATOM 585 CG TYR A 42 2.648 -13.182 3.030 1.00 30.13 C ATOM 586 CD1 TYR A 42 1.800 -14.197 3.464 1.00 3.23 C ATOM 587 CD2 TYR A 42 3.586 -13.488 2.047 1.00 25.21 C ATOM 588 CE1 TYR A 42 1.888 -15.473 2.943 1.00 43.01 C ATOM 589 CE2 TYR A 42 3.677 -14.763 1.521 1.00 1.32 C ATOM 590 CZ TYR A 42 2.825 -15.750 1.971 1.00 10.43 C ATOM 591 OH TYR A 42 2.911 -17.024 1.450 1.00 54.41 O ATOM 0 H TYR A 42 2.184 -9.494 4.337 1.00 53.55 H new ATOM 0 HA TYR A 42 2.389 -10.642 1.791 1.00 13.12 H new ATOM 0 HB2 TYR A 42 3.559 -11.416 3.814 1.00 12.01 H new ATOM 0 HB3 TYR A 42 2.036 -11.836 4.571 1.00 12.01 H new ATOM 0 HD1 TYR A 42 1.060 -13.983 4.221 1.00 3.23 H new ATOM 0 HD2 TYR A 42 4.253 -12.717 1.690 1.00 25.21 H new ATOM 0 HE1 TYR A 42 1.226 -16.250 3.296 1.00 43.01 H new ATOM 0 HE2 TYR A 42 4.412 -14.985 0.761 1.00 1.32 H new ATOM 0 HH TYR A 42 3.620 -17.054 0.775 1.00 54.41 H new ATOM 601 N GLY A 43 -0.550 -10.891 3.176 1.00 1.00 N ATOM 602 CA GLY A 43 -1.933 -11.232 2.915 1.00 34.05 C ATOM 603 C GLY A 43 -2.619 -10.180 2.064 1.00 60.11 C ATOM 604 O GLY A 43 -3.149 -9.196 2.580 1.00 5.50 O ATOM 0 H GLY A 43 -0.401 -10.355 4.031 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -1.981 -12.197 2.410 1.00 34.05 H new ATOM 0 HA3 GLY A 43 -2.466 -11.340 3.860 1.00 34.05 H new ATOM 608 N LEU A 44 -2.593 -10.372 0.753 1.00 3.21 N ATOM 609 CA LEU A 44 -3.260 -9.460 -0.166 1.00 12.53 C ATOM 610 C LEU A 44 -3.892 -10.239 -1.310 1.00 52.11 C ATOM 611 O LEU A 44 -3.511 -11.381 -1.579 1.00 11.54 O ATOM 612 CB LEU A 44 -2.288 -8.399 -0.720 1.00 65.00 C ATOM 613 CG LEU A 44 -1.256 -8.885 -1.757 1.00 42.42 C ATOM 614 CD1 LEU A 44 -0.518 -7.696 -2.366 1.00 40.02 C ATOM 615 CD2 LEU A 44 -0.265 -9.872 -1.137 1.00 33.22 C ATOM 0 H LEU A 44 -2.116 -11.152 0.301 1.00 3.21 H new ATOM 0 HA LEU A 44 -4.039 -8.939 0.390 1.00 12.53 H new ATOM 0 HB2 LEU A 44 -2.876 -7.601 -1.173 1.00 65.00 H new ATOM 0 HB3 LEU A 44 -1.748 -7.960 0.119 1.00 65.00 H new ATOM 0 HG LEU A 44 -1.794 -9.408 -2.548 1.00 42.42 H new ATOM 0 HD11 LEU A 44 0.208 -8.054 -3.097 1.00 40.02 H new ATOM 0 HD12 LEU A 44 -1.233 -7.037 -2.858 1.00 40.02 H new ATOM 0 HD13 LEU A 44 -0.000 -7.147 -1.579 1.00 40.02 H new ATOM 0 HD21 LEU A 44 0.449 -10.195 -1.895 1.00 33.22 H new ATOM 0 HD22 LEU A 44 0.268 -9.387 -0.319 1.00 33.22 H new ATOM 0 HD23 LEU A 44 -0.805 -10.738 -0.755 1.00 33.22 H new ATOM 627 N ASP A 45 -4.850 -9.610 -1.975 1.00 34.11 N ATOM 628 CA ASP A 45 -5.570 -10.224 -3.084 1.00 5.02 C ATOM 629 C ASP A 45 -6.108 -9.138 -4.002 1.00 24.52 C ATOM 630 O ASP A 45 -6.828 -8.248 -3.563 1.00 12.21 O ATOM 631 CB ASP A 45 -6.726 -11.093 -2.569 1.00 43.35 C ATOM 632 CG ASP A 45 -7.584 -11.652 -3.697 1.00 51.12 C ATOM 633 OD1 ASP A 45 -7.139 -12.605 -4.371 1.00 4.24 O ATOM 634 OD2 ASP A 45 -8.703 -11.145 -3.914 1.00 54.31 O ATOM 0 H ASP A 45 -5.151 -8.659 -1.762 1.00 34.11 H new ATOM 0 HA ASP A 45 -4.882 -10.863 -3.637 1.00 5.02 H new ATOM 0 HB2 ASP A 45 -6.322 -11.917 -1.981 1.00 43.35 H new ATOM 0 HB3 ASP A 45 -7.351 -10.501 -1.901 1.00 43.35 H new ATOM 639 N VAL A 46 -5.738 -9.197 -5.270 1.00 11.44 N ATOM 640 CA VAL A 46 -6.186 -8.208 -6.238 1.00 74.24 C ATOM 641 C VAL A 46 -7.286 -8.795 -7.120 1.00 24.20 C ATOM 642 O VAL A 46 -7.104 -9.839 -7.754 1.00 14.34 O ATOM 643 CB VAL A 46 -5.011 -7.684 -7.106 1.00 10.22 C ATOM 644 CG1 VAL A 46 -4.271 -8.826 -7.790 1.00 31.24 C ATOM 645 CG2 VAL A 46 -5.505 -6.665 -8.129 1.00 33.55 C ATOM 0 H VAL A 46 -5.128 -9.919 -5.654 1.00 11.44 H new ATOM 0 HA VAL A 46 -6.589 -7.358 -5.687 1.00 74.24 H new ATOM 0 HB VAL A 46 -4.305 -7.186 -6.441 1.00 10.22 H new ATOM 0 HG11 VAL A 46 -3.455 -8.423 -8.389 1.00 31.24 H new ATOM 0 HG12 VAL A 46 -3.868 -9.502 -7.036 1.00 31.24 H new ATOM 0 HG13 VAL A 46 -4.960 -9.371 -8.435 1.00 31.24 H new ATOM 0 HG21 VAL A 46 -4.664 -6.312 -8.726 1.00 33.55 H new ATOM 0 HG22 VAL A 46 -6.242 -7.133 -8.782 1.00 33.55 H new ATOM 0 HG23 VAL A 46 -5.962 -5.822 -7.611 1.00 33.55 H new ATOM 655 N GLN A 47 -8.439 -8.138 -7.125 1.00 44.02 N ATOM 656 CA GLN A 47 -9.575 -8.576 -7.921 1.00 1.20 C ATOM 657 C GLN A 47 -9.623 -7.789 -9.226 1.00 4.23 C ATOM 658 O GLN A 47 -9.727 -6.560 -9.213 1.00 32.34 O ATOM 659 CB GLN A 47 -10.884 -8.370 -7.141 1.00 43.41 C ATOM 660 CG GLN A 47 -10.908 -9.037 -5.770 1.00 71.03 C ATOM 661 CD GLN A 47 -12.250 -8.883 -5.071 1.00 42.33 C ATOM 662 OE1 GLN A 47 -12.424 -7.788 -4.346 1.00 33.24 O flip ATOM 663 NE2 GLN A 47 -13.135 -9.727 -5.205 1.00 52.40 N flip ATOM 0 H GLN A 47 -8.611 -7.293 -6.581 1.00 44.02 H new ATOM 0 HA GLN A 47 -9.461 -9.637 -8.143 1.00 1.20 H new ATOM 0 HB2 GLN A 47 -11.054 -7.301 -7.015 1.00 43.41 H new ATOM 0 HB3 GLN A 47 -11.712 -8.757 -7.735 1.00 43.41 H new ATOM 0 HG2 GLN A 47 -10.679 -10.097 -5.881 1.00 71.03 H new ATOM 0 HG3 GLN A 47 -10.125 -8.606 -5.146 1.00 71.03 H new ATOM 0 HE21 GLN A 47 -12.965 -10.558 -5.771 1.00 52.40 H new ATOM 0 HE22 GLN A 47 -14.038 -9.595 -4.750 1.00 52.40 H new ATOM 672 N ASP A 48 -9.545 -8.494 -10.348 1.00 3.41 N ATOM 673 CA ASP A 48 -9.642 -7.871 -11.663 1.00 33.53 C ATOM 674 C ASP A 48 -11.077 -7.956 -12.166 1.00 2.43 C ATOM 675 O ASP A 48 -11.455 -8.875 -12.893 1.00 72.14 O ATOM 676 CB ASP A 48 -8.650 -8.511 -12.656 1.00 20.02 C ATOM 677 CG ASP A 48 -8.793 -10.025 -12.789 1.00 42.55 C ATOM 678 OD1 ASP A 48 -8.840 -10.531 -13.935 1.00 20.43 O ATOM 679 OD2 ASP A 48 -8.840 -10.721 -11.749 1.00 1.10 O ATOM 0 H ASP A 48 -9.414 -9.505 -10.373 1.00 3.41 H new ATOM 0 HA ASP A 48 -9.369 -6.819 -11.578 1.00 33.53 H new ATOM 0 HB2 ASP A 48 -8.789 -8.056 -13.637 1.00 20.02 H new ATOM 0 HB3 ASP A 48 -7.633 -8.279 -12.338 1.00 20.02 H new ATOM 684 N GLY A 49 -11.884 -7.003 -11.721 1.00 21.44 N ATOM 685 CA GLY A 49 -13.292 -6.980 -12.071 1.00 50.12 C ATOM 686 C GLY A 49 -13.587 -6.004 -13.191 1.00 60.25 C ATOM 687 O GLY A 49 -12.770 -5.132 -13.489 1.00 21.12 O ATOM 0 H GLY A 49 -11.585 -6.237 -11.117 1.00 21.44 H new ATOM 0 HA2 GLY A 49 -13.607 -7.980 -12.370 1.00 50.12 H new ATOM 0 HA3 GLY A 49 -13.879 -6.711 -11.193 1.00 50.12 H new ATOM 691 N ASP A 50 -14.762 -6.149 -13.802 1.00 61.43 N ATOM 692 CA ASP A 50 -15.190 -5.276 -14.897 1.00 40.31 C ATOM 693 C ASP A 50 -15.144 -3.808 -14.475 1.00 44.44 C ATOM 694 O ASP A 50 -14.730 -2.937 -15.241 1.00 62.34 O ATOM 695 CB ASP A 50 -16.613 -5.644 -15.339 1.00 52.33 C ATOM 696 CG ASP A 50 -17.185 -4.668 -16.358 1.00 40.41 C ATOM 697 OD1 ASP A 50 -16.877 -4.806 -17.562 1.00 1.20 O ATOM 698 OD2 ASP A 50 -17.958 -3.767 -15.960 1.00 53.55 O ATOM 0 H ASP A 50 -15.441 -6.869 -13.555 1.00 61.43 H new ATOM 0 HA ASP A 50 -14.504 -5.417 -15.732 1.00 40.31 H new ATOM 0 HB2 ASP A 50 -16.608 -6.647 -15.766 1.00 52.33 H new ATOM 0 HB3 ASP A 50 -17.264 -5.673 -14.465 1.00 52.33 H new ATOM 703 N GLU A 51 -15.557 -3.552 -13.240 1.00 30.30 N ATOM 704 CA GLU A 51 -15.602 -2.197 -12.708 1.00 15.30 C ATOM 705 C GLU A 51 -14.186 -1.641 -12.524 1.00 63.34 C ATOM 706 O GLU A 51 -13.960 -0.435 -12.651 1.00 22.24 O ATOM 707 CB GLU A 51 -16.370 -2.181 -11.377 1.00 15.04 C ATOM 708 CG GLU A 51 -16.634 -0.782 -10.826 1.00 0.02 C ATOM 709 CD GLU A 51 -17.332 0.125 -11.827 1.00 22.11 C ATOM 710 OE1 GLU A 51 -16.813 1.226 -12.108 1.00 40.54 O ATOM 711 OE2 GLU A 51 -18.399 -0.259 -12.347 1.00 51.03 O ATOM 0 H GLU A 51 -15.867 -4.270 -12.585 1.00 30.30 H new ATOM 0 HA GLU A 51 -16.124 -1.558 -13.420 1.00 15.30 H new ATOM 0 HB2 GLU A 51 -17.323 -2.692 -11.514 1.00 15.04 H new ATOM 0 HB3 GLU A 51 -15.806 -2.750 -10.638 1.00 15.04 H new ATOM 0 HG2 GLU A 51 -17.245 -0.860 -9.927 1.00 0.02 H new ATOM 0 HG3 GLU A 51 -15.688 -0.329 -10.530 1.00 0.02 H new ATOM 718 N GLY A 52 -13.236 -2.526 -12.244 1.00 32.03 N ATOM 719 CA GLY A 52 -11.856 -2.110 -12.067 1.00 63.13 C ATOM 720 C GLY A 52 -11.025 -3.155 -11.350 1.00 50.12 C ATOM 721 O GLY A 52 -11.562 -3.987 -10.611 1.00 43.41 O ATOM 0 H GLY A 52 -13.397 -3.527 -12.136 1.00 32.03 H new ATOM 0 HA2 GLY A 52 -11.414 -1.904 -13.042 1.00 63.13 H new ATOM 0 HA3 GLY A 52 -11.830 -1.178 -11.502 1.00 63.13 H new ATOM 725 N THR A 53 -9.717 -3.127 -11.583 1.00 13.45 N ATOM 726 CA THR A 53 -8.791 -4.029 -10.910 1.00 44.11 C ATOM 727 C THR A 53 -8.370 -3.441 -9.561 1.00 74.20 C ATOM 728 O THR A 53 -7.526 -2.541 -9.496 1.00 44.44 O ATOM 729 CB THR A 53 -7.539 -4.267 -11.778 1.00 13.43 C ATOM 730 OG1 THR A 53 -7.933 -4.560 -13.128 1.00 5.21 O ATOM 731 CG2 THR A 53 -6.694 -5.416 -11.234 1.00 14.12 C ATOM 0 H THR A 53 -9.272 -2.484 -12.238 1.00 13.45 H new ATOM 0 HA THR A 53 -9.297 -4.981 -10.749 1.00 44.11 H new ATOM 0 HB THR A 53 -6.936 -3.359 -11.755 1.00 13.43 H new ATOM 0 HG1 THR A 53 -7.135 -4.709 -13.677 1.00 5.21 H new ATOM 0 HG21 THR A 53 -5.820 -5.557 -11.869 1.00 14.12 H new ATOM 0 HG22 THR A 53 -6.372 -5.182 -10.219 1.00 14.12 H new ATOM 0 HG23 THR A 53 -7.287 -6.331 -11.224 1.00 14.12 H new ATOM 739 N VAL A 54 -8.957 -3.955 -8.492 1.00 23.25 N ATOM 740 CA VAL A 54 -8.742 -3.418 -7.148 1.00 33.20 C ATOM 741 C VAL A 54 -7.868 -4.352 -6.317 1.00 63.40 C ATOM 742 O VAL A 54 -8.157 -5.544 -6.197 1.00 15.14 O ATOM 743 CB VAL A 54 -10.084 -3.171 -6.409 1.00 14.31 C ATOM 744 CG1 VAL A 54 -9.839 -2.585 -5.016 1.00 45.21 C ATOM 745 CG2 VAL A 54 -10.994 -2.260 -7.232 1.00 73.21 C ATOM 0 H VAL A 54 -9.593 -4.752 -8.525 1.00 23.25 H new ATOM 0 HA VAL A 54 -8.231 -2.463 -7.267 1.00 33.20 H new ATOM 0 HB VAL A 54 -10.587 -4.130 -6.286 1.00 14.31 H new ATOM 0 HG11 VAL A 54 -10.794 -2.420 -4.517 1.00 45.21 H new ATOM 0 HG12 VAL A 54 -9.238 -3.280 -4.429 1.00 45.21 H new ATOM 0 HG13 VAL A 54 -9.310 -1.637 -5.108 1.00 45.21 H new ATOM 0 HG21 VAL A 54 -11.929 -2.100 -6.696 1.00 73.21 H new ATOM 0 HG22 VAL A 54 -10.500 -1.302 -7.394 1.00 73.21 H new ATOM 0 HG23 VAL A 54 -11.203 -2.728 -8.194 1.00 73.21 H new ATOM 755 N ALA A 55 -6.797 -3.803 -5.754 1.00 0.02 N ATOM 756 CA ALA A 55 -5.866 -4.572 -4.934 1.00 11.12 C ATOM 757 C ALA A 55 -6.242 -4.482 -3.453 1.00 53.44 C ATOM 758 O ALA A 55 -6.074 -3.435 -2.822 1.00 30.21 O ATOM 759 CB ALA A 55 -4.440 -4.075 -5.150 1.00 32.33 C ATOM 0 H ALA A 55 -6.550 -2.818 -5.852 1.00 0.02 H new ATOM 0 HA ALA A 55 -5.925 -5.617 -5.237 1.00 11.12 H new ATOM 0 HB1 ALA A 55 -3.755 -4.656 -4.533 1.00 32.33 H new ATOM 0 HB2 ALA A 55 -4.170 -4.190 -6.200 1.00 32.33 H new ATOM 0 HB3 ALA A 55 -4.375 -3.023 -4.872 1.00 32.33 H new ATOM 765 N LEU A 56 -6.773 -5.574 -2.912 1.00 34.23 N ATOM 766 CA LEU A 56 -7.112 -5.656 -1.495 1.00 54.25 C ATOM 767 C LEU A 56 -5.861 -5.994 -0.692 1.00 41.22 C ATOM 768 O LEU A 56 -5.124 -6.916 -1.052 1.00 53.23 O ATOM 769 CB LEU A 56 -8.182 -6.732 -1.264 1.00 51.41 C ATOM 770 CG LEU A 56 -9.442 -6.599 -2.132 1.00 22.31 C ATOM 771 CD1 LEU A 56 -10.358 -7.801 -1.931 1.00 3.14 C ATOM 772 CD2 LEU A 56 -10.181 -5.293 -1.830 1.00 73.01 C ATOM 0 H LEU A 56 -6.980 -6.422 -3.439 1.00 34.23 H new ATOM 0 HA LEU A 56 -7.507 -4.694 -1.169 1.00 54.25 H new ATOM 0 HB2 LEU A 56 -7.736 -7.710 -1.446 1.00 51.41 H new ATOM 0 HB3 LEU A 56 -8.478 -6.707 -0.215 1.00 51.41 H new ATOM 0 HG LEU A 56 -9.134 -6.574 -3.177 1.00 22.31 H new ATOM 0 HD11 LEU A 56 -11.246 -7.690 -2.554 1.00 3.14 H new ATOM 0 HD12 LEU A 56 -9.830 -8.712 -2.212 1.00 3.14 H new ATOM 0 HD13 LEU A 56 -10.654 -7.861 -0.884 1.00 3.14 H new ATOM 0 HD21 LEU A 56 -11.069 -5.224 -2.458 1.00 73.01 H new ATOM 0 HD22 LEU A 56 -10.476 -5.276 -0.781 1.00 73.01 H new ATOM 0 HD23 LEU A 56 -9.524 -4.448 -2.036 1.00 73.01 H new ATOM 784 N ILE A 57 -5.616 -5.254 0.384 1.00 13.44 N ATOM 785 CA ILE A 57 -4.417 -5.462 1.201 1.00 63.32 C ATOM 786 C ILE A 57 -4.787 -5.583 2.679 1.00 31.03 C ATOM 787 O ILE A 57 -5.522 -4.748 3.209 1.00 35.30 O ATOM 788 CB ILE A 57 -3.399 -4.301 1.027 1.00 2.52 C ATOM 789 CG1 ILE A 57 -3.122 -4.036 -0.465 1.00 12.42 C ATOM 790 CG2 ILE A 57 -2.098 -4.616 1.763 1.00 23.14 C ATOM 791 CD1 ILE A 57 -2.185 -2.871 -0.719 1.00 71.13 C ATOM 0 H ILE A 57 -6.227 -4.506 0.713 1.00 13.44 H new ATOM 0 HA ILE A 57 -3.954 -6.388 0.861 1.00 63.32 H new ATOM 0 HB ILE A 57 -3.833 -3.400 1.459 1.00 2.52 H new ATOM 0 HG12 ILE A 57 -2.697 -4.935 -0.911 1.00 12.42 H new ATOM 0 HG13 ILE A 57 -4.068 -3.846 -0.972 1.00 12.42 H new ATOM 0 HG21 ILE A 57 -1.396 -3.792 1.631 1.00 23.14 H new ATOM 0 HG22 ILE A 57 -2.304 -4.750 2.825 1.00 23.14 H new ATOM 0 HG23 ILE A 57 -1.664 -5.531 1.359 1.00 23.14 H new ATOM 0 HD11 ILE A 57 -2.040 -2.748 -1.792 1.00 71.13 H new ATOM 0 HD12 ILE A 57 -2.617 -1.960 -0.305 1.00 71.13 H new ATOM 0 HD13 ILE A 57 -1.224 -3.066 -0.243 1.00 71.13 H new ATOM 803 N ASP A 58 -4.285 -6.633 3.332 1.00 51.10 N ATOM 804 CA ASP A 58 -4.503 -6.837 4.766 1.00 10.22 C ATOM 805 C ASP A 58 -3.385 -6.161 5.558 1.00 4.00 C ATOM 806 O ASP A 58 -2.217 -6.546 5.447 1.00 33.14 O ATOM 807 CB ASP A 58 -4.554 -8.344 5.082 1.00 30.14 C ATOM 808 CG ASP A 58 -4.837 -8.653 6.541 1.00 45.11 C ATOM 809 OD1 ASP A 58 -4.354 -9.695 7.039 1.00 11.14 O ATOM 810 OD2 ASP A 58 -5.575 -7.890 7.184 1.00 61.31 O ATOM 0 H ASP A 58 -3.722 -7.359 2.888 1.00 51.10 H new ATOM 0 HA ASP A 58 -5.455 -6.391 5.053 1.00 10.22 H new ATOM 0 HB2 ASP A 58 -5.323 -8.810 4.466 1.00 30.14 H new ATOM 0 HB3 ASP A 58 -3.603 -8.797 4.802 1.00 30.14 H new ATOM 815 N MET A 59 -3.732 -5.133 6.335 1.00 32.12 N ATOM 816 CA MET A 59 -2.730 -4.377 7.092 1.00 23.12 C ATOM 817 C MET A 59 -3.241 -3.994 8.478 1.00 14.45 C ATOM 818 O MET A 59 -4.415 -4.171 8.805 1.00 12.15 O ATOM 819 CB MET A 59 -2.308 -3.100 6.341 1.00 62.54 C ATOM 820 CG MET A 59 -1.466 -3.340 5.097 1.00 45.33 C ATOM 821 SD MET A 59 -1.072 -1.809 4.216 1.00 23.02 S ATOM 822 CE MET A 59 -0.238 -0.855 5.487 1.00 23.01 C ATOM 0 H MET A 59 -4.691 -4.806 6.457 1.00 32.12 H new ATOM 0 HA MET A 59 -1.866 -5.032 7.203 1.00 23.12 H new ATOM 0 HB2 MET A 59 -3.205 -2.550 6.055 1.00 62.54 H new ATOM 0 HB3 MET A 59 -1.748 -2.462 7.024 1.00 62.54 H new ATOM 0 HG2 MET A 59 -0.540 -3.840 5.381 1.00 45.33 H new ATOM 0 HG3 MET A 59 -1.999 -4.014 4.426 1.00 45.33 H new ATOM 0 HE1 MET A 59 -0.785 0.071 5.665 1.00 23.01 H new ATOM 0 HE2 MET A 59 -0.197 -1.435 6.409 1.00 23.01 H new ATOM 0 HE3 MET A 59 0.775 -0.621 5.160 1.00 23.01 H new ATOM 832 N THR A 60 -2.320 -3.478 9.285 1.00 0.11 N ATOM 833 CA THR A 60 -2.631 -2.893 10.579 1.00 72.45 C ATOM 834 C THR A 60 -1.446 -2.037 11.015 1.00 14.52 C ATOM 835 O THR A 60 -0.342 -2.189 10.483 1.00 34.05 O ATOM 836 CB THR A 60 -2.938 -3.969 11.657 1.00 44.44 C ATOM 837 OG1 THR A 60 -3.573 -3.362 12.792 1.00 51.15 O ATOM 838 CG2 THR A 60 -1.671 -4.689 12.113 1.00 53.33 C ATOM 0 H THR A 60 -1.327 -3.455 9.054 1.00 0.11 H new ATOM 0 HA THR A 60 -3.531 -2.287 10.477 1.00 72.45 H new ATOM 0 HB THR A 60 -3.605 -4.703 11.206 1.00 44.44 H new ATOM 0 HG1 THR A 60 -4.377 -3.870 13.028 1.00 51.15 H new ATOM 0 HG21 THR A 60 -1.927 -5.434 12.867 1.00 53.33 H new ATOM 0 HG22 THR A 60 -1.205 -5.182 11.260 1.00 53.33 H new ATOM 0 HG23 THR A 60 -0.975 -3.966 12.539 1.00 53.33 H new ATOM 846 N LEU A 61 -1.672 -1.124 11.948 1.00 74.55 N ATOM 847 CA LEU A 61 -0.603 -0.262 12.440 1.00 13.22 C ATOM 848 C LEU A 61 0.106 -0.937 13.613 1.00 3.01 C ATOM 849 O LEU A 61 -0.473 -1.805 14.268 1.00 52.21 O ATOM 850 CB LEU A 61 -1.149 1.118 12.850 1.00 3.44 C ATOM 851 CG LEU A 61 -1.784 1.961 11.718 1.00 54.11 C ATOM 852 CD1 LEU A 61 -0.864 2.040 10.498 1.00 23.13 C ATOM 853 CD2 LEU A 61 -3.154 1.415 11.325 1.00 23.30 C ATOM 0 H LEU A 61 -2.582 -0.960 12.379 1.00 74.55 H new ATOM 0 HA LEU A 61 0.116 -0.105 11.636 1.00 13.22 H new ATOM 0 HB2 LEU A 61 -1.896 0.974 13.631 1.00 3.44 H new ATOM 0 HB3 LEU A 61 -0.334 1.693 13.290 1.00 3.44 H new ATOM 0 HG LEU A 61 -1.919 2.972 12.102 1.00 54.11 H new ATOM 0 HD11 LEU A 61 -1.340 2.639 9.722 1.00 23.13 H new ATOM 0 HD12 LEU A 61 0.081 2.502 10.784 1.00 23.13 H new ATOM 0 HD13 LEU A 61 -0.677 1.036 10.118 1.00 23.13 H new ATOM 0 HD21 LEU A 61 -3.575 2.028 10.528 1.00 23.30 H new ATOM 0 HD22 LEU A 61 -3.050 0.388 10.976 1.00 23.30 H new ATOM 0 HD23 LEU A 61 -3.817 1.439 12.190 1.00 23.30 H new ATOM 865 N THR A 62 1.346 -0.520 13.879 1.00 63.33 N ATOM 866 CA THR A 62 2.206 -1.161 14.878 1.00 21.10 C ATOM 867 C THR A 62 1.445 -1.497 16.168 1.00 31.43 C ATOM 868 O THR A 62 1.457 -2.645 16.627 1.00 4.45 O ATOM 869 CB THR A 62 3.412 -0.253 15.213 1.00 62.02 C ATOM 870 OG1 THR A 62 4.023 0.205 13.996 1.00 63.42 O ATOM 871 CG2 THR A 62 4.448 -0.994 16.059 1.00 61.00 C ATOM 0 H THR A 62 1.783 0.272 13.408 1.00 63.33 H new ATOM 0 HA THR A 62 2.557 -2.096 14.442 1.00 21.10 H new ATOM 0 HB THR A 62 3.047 0.597 15.789 1.00 62.02 H new ATOM 0 HG1 THR A 62 4.786 0.782 14.210 1.00 63.42 H new ATOM 0 HG21 THR A 62 5.283 -0.328 16.277 1.00 61.00 H new ATOM 0 HG22 THR A 62 3.990 -1.319 16.993 1.00 61.00 H new ATOM 0 HG23 THR A 62 4.811 -1.863 15.511 1.00 61.00 H new ATOM 879 N SER A 63 0.776 -0.498 16.736 1.00 41.31 N ATOM 880 CA SER A 63 -0.005 -0.685 17.955 1.00 23.14 C ATOM 881 C SER A 63 -1.501 -0.505 17.680 1.00 45.44 C ATOM 882 O SER A 63 -2.303 -0.376 18.606 1.00 54.21 O ATOM 883 CB SER A 63 0.479 0.300 19.026 1.00 13.03 C ATOM 884 OG SER A 63 1.866 0.115 19.272 1.00 61.24 O ATOM 0 H SER A 63 0.759 0.454 16.370 1.00 41.31 H new ATOM 0 HA SER A 63 0.139 -1.703 18.317 1.00 23.14 H new ATOM 0 HB2 SER A 63 0.293 1.323 18.700 1.00 13.03 H new ATOM 0 HB3 SER A 63 -0.084 0.152 19.948 1.00 13.03 H new ATOM 0 HG SER A 63 2.164 0.750 19.956 1.00 61.24 H new ATOM 890 N ALA A 64 -1.854 -0.490 16.393 1.00 64.24 N ATOM 891 CA ALA A 64 -3.252 -0.405 15.943 1.00 52.21 C ATOM 892 C ALA A 64 -3.967 0.861 16.443 1.00 52.34 C ATOM 893 O ALA A 64 -5.177 1.000 16.270 1.00 24.14 O ATOM 894 CB ALA A 64 -4.020 -1.651 16.374 1.00 22.23 C ATOM 0 H ALA A 64 -1.180 -0.536 15.629 1.00 64.24 H new ATOM 0 HA ALA A 64 -3.230 -0.344 14.855 1.00 52.21 H new ATOM 0 HB1 ALA A 64 -5.053 -1.577 16.035 1.00 22.23 H new ATOM 0 HB2 ALA A 64 -3.557 -2.534 15.934 1.00 22.23 H new ATOM 0 HB3 ALA A 64 -3.999 -1.733 17.461 1.00 22.23 H new ATOM 900 N ALA A 65 -3.216 1.781 17.043 1.00 31.24 N ATOM 901 CA ALA A 65 -3.775 3.032 17.561 1.00 0.44 C ATOM 902 C ALA A 65 -3.124 4.230 16.876 1.00 3.41 C ATOM 903 O ALA A 65 -3.296 5.375 17.299 1.00 53.32 O ATOM 904 CB ALA A 65 -3.578 3.106 19.074 1.00 64.21 C ATOM 0 H ALA A 65 -2.210 1.684 17.184 1.00 31.24 H new ATOM 0 HA ALA A 65 -4.843 3.055 17.347 1.00 0.44 H new ATOM 0 HB1 ALA A 65 -3.997 4.039 19.450 1.00 64.21 H new ATOM 0 HB2 ALA A 65 -4.083 2.265 19.548 1.00 64.21 H new ATOM 0 HB3 ALA A 65 -2.513 3.067 19.305 1.00 64.21 H new ATOM 910 N CYS A 66 -2.380 3.956 15.812 1.00 40.41 N ATOM 911 CA CYS A 66 -1.630 4.987 15.104 1.00 21.33 C ATOM 912 C CYS A 66 -2.463 5.559 13.950 1.00 5.11 C ATOM 913 O CYS A 66 -2.977 4.801 13.123 1.00 2.13 O ATOM 914 CB CYS A 66 -0.325 4.388 14.564 1.00 12.14 C ATOM 915 SG CYS A 66 0.531 3.315 15.745 1.00 24.44 S ATOM 0 H CYS A 66 -2.279 3.021 15.417 1.00 40.41 H new ATOM 0 HA CYS A 66 -1.399 5.797 15.796 1.00 21.33 H new ATOM 0 HB2 CYS A 66 -0.544 3.817 13.662 1.00 12.14 H new ATOM 0 HB3 CYS A 66 0.343 5.199 14.274 1.00 12.14 H new ATOM 0 HG CYS A 66 1.619 2.854 15.203 1.00 24.44 H new ATOM 921 N PRO A 67 -2.589 6.901 13.856 1.00 35.03 N ATOM 922 CA PRO A 67 -3.343 7.561 12.771 1.00 40.34 C ATOM 923 C PRO A 67 -2.559 7.579 11.453 1.00 22.23 C ATOM 924 O PRO A 67 -2.676 8.509 10.655 1.00 30.52 O ATOM 925 CB PRO A 67 -3.539 8.982 13.314 1.00 13.04 C ATOM 926 CG PRO A 67 -2.342 9.218 14.172 1.00 10.33 C ATOM 927 CD PRO A 67 -2.015 7.886 14.801 1.00 3.01 C ATOM 0 HA PRO A 67 -4.275 7.049 12.532 1.00 40.34 H new ATOM 0 HB2 PRO A 67 -3.599 9.711 12.506 1.00 13.04 H new ATOM 0 HB3 PRO A 67 -4.462 9.065 13.888 1.00 13.04 H new ATOM 0 HG2 PRO A 67 -1.504 9.587 13.580 1.00 10.33 H new ATOM 0 HG3 PRO A 67 -2.550 9.969 14.934 1.00 10.33 H new ATOM 0 HD2 PRO A 67 -0.940 7.751 14.916 1.00 3.01 H new ATOM 0 HD3 PRO A 67 -2.456 7.793 15.793 1.00 3.01 H new ATOM 935 N LEU A 68 -1.785 6.522 11.221 1.00 13.25 N ATOM 936 CA LEU A 68 -0.922 6.418 10.045 1.00 2.42 C ATOM 937 C LEU A 68 -1.733 5.914 8.842 1.00 32.12 C ATOM 938 O LEU A 68 -1.272 5.969 7.702 1.00 3.14 O ATOM 939 CB LEU A 68 0.253 5.461 10.364 1.00 74.03 C ATOM 940 CG LEU A 68 1.651 5.898 9.879 1.00 11.14 C ATOM 941 CD1 LEU A 68 2.725 4.959 10.428 1.00 74.31 C ATOM 942 CD2 LEU A 68 1.718 5.952 8.356 1.00 51.23 C ATOM 0 H LEU A 68 -1.738 5.714 11.841 1.00 13.25 H new ATOM 0 HA LEU A 68 -0.519 7.398 9.791 1.00 2.42 H new ATOM 0 HB2 LEU A 68 0.295 5.322 11.444 1.00 74.03 H new ATOM 0 HB3 LEU A 68 0.029 4.488 9.926 1.00 74.03 H new ATOM 0 HG LEU A 68 1.837 6.903 10.258 1.00 11.14 H new ATOM 0 HD11 LEU A 68 3.705 5.282 10.076 1.00 74.31 H new ATOM 0 HD12 LEU A 68 2.705 4.981 11.518 1.00 74.31 H new ATOM 0 HD13 LEU A 68 2.532 3.944 10.082 1.00 74.31 H new ATOM 0 HD21 LEU A 68 2.716 6.263 8.047 1.00 51.23 H new ATOM 0 HD22 LEU A 68 1.503 4.965 7.947 1.00 51.23 H new ATOM 0 HD23 LEU A 68 0.984 6.667 7.985 1.00 51.23 H new ATOM 954 N THR A 69 -2.955 5.448 9.116 1.00 63.11 N ATOM 955 CA THR A 69 -3.828 4.859 8.097 1.00 23.12 C ATOM 956 C THR A 69 -3.936 5.765 6.862 1.00 2.03 C ATOM 957 O THR A 69 -3.581 5.355 5.754 1.00 65.22 O ATOM 958 CB THR A 69 -5.233 4.543 8.692 1.00 64.14 C ATOM 959 OG1 THR A 69 -6.088 3.938 7.716 1.00 13.31 O ATOM 960 CG2 THR A 69 -5.914 5.784 9.262 1.00 32.22 C ATOM 0 H THR A 69 -3.366 5.468 10.049 1.00 63.11 H new ATOM 0 HA THR A 69 -3.380 3.920 7.772 1.00 23.12 H new ATOM 0 HB THR A 69 -5.065 3.841 9.509 1.00 64.14 H new ATOM 0 HG1 THR A 69 -5.835 2.999 7.597 1.00 13.31 H new ATOM 0 HG21 THR A 69 -6.890 5.511 9.664 1.00 32.22 H new ATOM 0 HG22 THR A 69 -5.298 6.204 10.057 1.00 32.22 H new ATOM 0 HG23 THR A 69 -6.041 6.524 8.472 1.00 32.22 H new ATOM 968 N ASP A 70 -4.349 7.016 7.071 1.00 34.24 N ATOM 969 CA ASP A 70 -4.558 7.960 5.973 1.00 34.11 C ATOM 970 C ASP A 70 -3.286 8.110 5.151 1.00 2.14 C ATOM 971 O ASP A 70 -3.332 8.271 3.931 1.00 15.45 O ATOM 972 CB ASP A 70 -4.970 9.339 6.514 1.00 11.35 C ATOM 973 CG ASP A 70 -6.122 9.271 7.502 1.00 74.22 C ATOM 974 OD1 ASP A 70 -7.291 9.396 7.080 1.00 13.22 O ATOM 975 OD2 ASP A 70 -5.858 9.091 8.710 1.00 74.33 O ATOM 0 H ASP A 70 -4.546 7.400 7.995 1.00 34.24 H new ATOM 0 HA ASP A 70 -5.355 7.567 5.342 1.00 34.11 H new ATOM 0 HB2 ASP A 70 -4.111 9.804 6.998 1.00 11.35 H new ATOM 0 HB3 ASP A 70 -5.252 9.981 5.679 1.00 11.35 H new ATOM 980 N VAL A 71 -2.149 8.042 5.836 1.00 52.13 N ATOM 981 CA VAL A 71 -0.858 8.249 5.201 1.00 23.35 C ATOM 982 C VAL A 71 -0.506 7.075 4.288 1.00 64.22 C ATOM 983 O VAL A 71 -0.226 7.277 3.106 1.00 15.32 O ATOM 984 CB VAL A 71 0.262 8.449 6.252 1.00 52.24 C ATOM 985 CG1 VAL A 71 1.603 8.743 5.581 1.00 60.10 C ATOM 986 CG2 VAL A 71 -0.109 9.557 7.239 1.00 11.04 C ATOM 0 H VAL A 71 -2.099 7.844 6.835 1.00 52.13 H new ATOM 0 HA VAL A 71 -0.934 9.155 4.600 1.00 23.35 H new ATOM 0 HB VAL A 71 0.366 7.518 6.810 1.00 52.24 H new ATOM 0 HG11 VAL A 71 2.370 8.879 6.344 1.00 60.10 H new ATOM 0 HG12 VAL A 71 1.877 7.909 4.935 1.00 60.10 H new ATOM 0 HG13 VAL A 71 1.520 9.652 4.985 1.00 60.10 H new ATOM 0 HG21 VAL A 71 0.693 9.679 7.967 1.00 11.04 H new ATOM 0 HG22 VAL A 71 -0.254 10.492 6.698 1.00 11.04 H new ATOM 0 HG23 VAL A 71 -1.031 9.290 7.756 1.00 11.04 H new ATOM 996 N ILE A 72 -0.560 5.844 4.818 1.00 41.14 N ATOM 997 CA ILE A 72 -0.199 4.667 4.014 1.00 64.41 C ATOM 998 C ILE A 72 -1.121 4.574 2.810 1.00 65.34 C ATOM 999 O ILE A 72 -0.683 4.311 1.683 1.00 2.55 O ATOM 1000 CB ILE A 72 -0.281 3.324 4.793 1.00 51.41 C ATOM 1001 CG1 ILE A 72 -0.165 3.556 6.304 1.00 61.23 C ATOM 1002 CG2 ILE A 72 0.806 2.364 4.301 1.00 1.14 C ATOM 1003 CD1 ILE A 72 0.089 2.302 7.113 1.00 1.12 C ATOM 0 H ILE A 72 -0.843 5.639 5.776 1.00 41.14 H new ATOM 0 HA ILE A 72 0.841 4.810 3.721 1.00 64.41 H new ATOM 0 HB ILE A 72 -1.255 2.873 4.603 1.00 51.41 H new ATOM 0 HG12 ILE A 72 0.644 4.263 6.489 1.00 61.23 H new ATOM 0 HG13 ILE A 72 -1.084 4.023 6.659 1.00 61.23 H new ATOM 0 HG21 ILE A 72 0.740 1.426 4.853 1.00 1.14 H new ATOM 0 HG22 ILE A 72 0.666 2.170 3.238 1.00 1.14 H new ATOM 0 HG23 ILE A 72 1.787 2.812 4.462 1.00 1.14 H new ATOM 0 HD11 ILE A 72 0.157 2.559 8.170 1.00 1.12 H new ATOM 0 HD12 ILE A 72 -0.731 1.599 6.962 1.00 1.12 H new ATOM 0 HD13 ILE A 72 1.024 1.844 6.790 1.00 1.12 H new ATOM 1015 N GLU A 73 -2.406 4.809 3.063 1.00 25.35 N ATOM 1016 CA GLU A 73 -3.415 4.725 2.025 1.00 61.20 C ATOM 1017 C GLU A 73 -3.147 5.743 0.924 1.00 5.03 C ATOM 1018 O GLU A 73 -3.053 5.378 -0.244 1.00 10.24 O ATOM 1019 CB GLU A 73 -4.812 4.922 2.618 1.00 10.53 C ATOM 1020 CG GLU A 73 -5.166 3.888 3.686 1.00 23.40 C ATOM 1021 CD GLU A 73 -6.665 3.771 3.926 1.00 73.44 C ATOM 1022 OE1 GLU A 73 -7.085 3.782 5.105 1.00 43.34 O ATOM 1023 OE2 GLU A 73 -7.421 3.681 2.933 1.00 53.33 O ATOM 0 H GLU A 73 -2.768 5.060 3.983 1.00 25.35 H new ATOM 0 HA GLU A 73 -3.367 3.730 1.582 1.00 61.20 H new ATOM 0 HB2 GLU A 73 -4.878 5.920 3.052 1.00 10.53 H new ATOM 0 HB3 GLU A 73 -5.549 4.874 1.817 1.00 10.53 H new ATOM 0 HG2 GLU A 73 -4.774 2.916 3.387 1.00 23.40 H new ATOM 0 HG3 GLU A 73 -4.674 4.156 4.621 1.00 23.40 H new ATOM 1030 N ASP A 74 -3.000 7.011 1.294 1.00 2.33 N ATOM 1031 CA ASP A 74 -2.772 8.068 0.309 1.00 41.11 C ATOM 1032 C ASP A 74 -1.533 7.771 -0.531 1.00 5.01 C ATOM 1033 O ASP A 74 -1.596 7.761 -1.764 1.00 24.21 O ATOM 1034 CB ASP A 74 -2.616 9.430 0.998 1.00 71.42 C ATOM 1035 CG ASP A 74 -2.303 10.547 0.008 1.00 13.12 C ATOM 1036 OD1 ASP A 74 -3.230 10.988 -0.706 1.00 53.20 O ATOM 1037 OD2 ASP A 74 -1.137 10.994 -0.053 1.00 52.01 O ATOM 0 H ASP A 74 -3.034 7.333 2.261 1.00 2.33 H new ATOM 0 HA ASP A 74 -3.641 8.102 -0.347 1.00 41.11 H new ATOM 0 HB2 ASP A 74 -3.534 9.670 1.535 1.00 71.42 H new ATOM 0 HB3 ASP A 74 -1.819 9.371 1.739 1.00 71.42 H new ATOM 1042 N GLN A 75 -0.422 7.486 0.145 1.00 31.11 N ATOM 1043 CA GLN A 75 0.850 7.220 -0.525 1.00 21.24 C ATOM 1044 C GLN A 75 0.713 6.083 -1.536 1.00 21.44 C ATOM 1045 O GLN A 75 0.949 6.270 -2.732 1.00 12.10 O ATOM 1046 CB GLN A 75 1.933 6.868 0.503 1.00 55.41 C ATOM 1047 CG GLN A 75 2.291 8.014 1.439 1.00 72.24 C ATOM 1048 CD GLN A 75 3.247 7.594 2.538 1.00 70.13 C ATOM 1049 OE1 GLN A 75 3.231 6.451 2.997 1.00 20.15 O ATOM 1050 NE2 GLN A 75 4.091 8.516 2.966 1.00 60.21 N ATOM 0 H GLN A 75 -0.377 7.433 1.163 1.00 31.11 H new ATOM 0 HA GLN A 75 1.140 8.125 -1.058 1.00 21.24 H new ATOM 0 HB2 GLN A 75 1.594 6.019 1.097 1.00 55.41 H new ATOM 0 HB3 GLN A 75 2.832 6.549 -0.025 1.00 55.41 H new ATOM 0 HG2 GLN A 75 2.740 8.823 0.862 1.00 72.24 H new ATOM 0 HG3 GLN A 75 1.380 8.410 1.887 1.00 72.24 H new ATOM 0 HE21 GLN A 75 4.073 9.452 2.560 1.00 60.21 H new ATOM 0 HE22 GLN A 75 4.761 8.292 3.702 1.00 60.21 H new ATOM 1059 N SER A 76 0.303 4.918 -1.050 1.00 35.43 N ATOM 1060 CA SER A 76 0.202 3.730 -1.889 1.00 33.52 C ATOM 1061 C SER A 76 -0.868 3.913 -2.969 1.00 43.21 C ATOM 1062 O SER A 76 -0.584 3.808 -4.162 1.00 73.44 O ATOM 1063 CB SER A 76 -0.111 2.503 -1.020 1.00 55.14 C ATOM 1064 OG SER A 76 -0.195 1.322 -1.802 1.00 15.22 O ATOM 0 H SER A 76 0.034 4.770 -0.077 1.00 35.43 H new ATOM 0 HA SER A 76 1.158 3.575 -2.389 1.00 33.52 H new ATOM 0 HB2 SER A 76 0.664 2.385 -0.262 1.00 55.14 H new ATOM 0 HB3 SER A 76 -1.052 2.659 -0.492 1.00 55.14 H new ATOM 0 HG SER A 76 -0.393 0.558 -1.221 1.00 15.22 H new ATOM 1070 N ARG A 77 -2.087 4.229 -2.543 1.00 31.34 N ATOM 1071 CA ARG A 77 -3.234 4.322 -3.446 1.00 24.21 C ATOM 1072 C ARG A 77 -2.963 5.303 -4.589 1.00 2.04 C ATOM 1073 O ARG A 77 -3.074 4.950 -5.771 1.00 73.15 O ATOM 1074 CB ARG A 77 -4.461 4.766 -2.639 1.00 45.12 C ATOM 1075 CG ARG A 77 -5.802 4.551 -3.324 1.00 23.34 C ATOM 1076 CD ARG A 77 -6.950 4.893 -2.382 1.00 42.35 C ATOM 1077 NE ARG A 77 -8.241 4.460 -2.903 1.00 12.14 N ATOM 1078 CZ ARG A 77 -9.328 4.277 -2.156 1.00 73.24 C ATOM 1079 NH1 ARG A 77 -9.277 4.460 -0.841 1.00 14.12 N ATOM 1080 NH2 ARG A 77 -10.456 3.887 -2.725 1.00 54.50 N ATOM 0 H ARG A 77 -2.309 4.427 -1.567 1.00 31.34 H new ATOM 0 HA ARG A 77 -3.416 3.345 -3.893 1.00 24.21 H new ATOM 0 HB2 ARG A 77 -4.466 4.228 -1.691 1.00 45.12 H new ATOM 0 HB3 ARG A 77 -4.357 5.825 -2.404 1.00 45.12 H new ATOM 0 HG2 ARG A 77 -5.862 5.171 -4.219 1.00 23.34 H new ATOM 0 HG3 ARG A 77 -5.888 3.514 -3.648 1.00 23.34 H new ATOM 0 HD2 ARG A 77 -6.775 4.423 -1.414 1.00 42.35 H new ATOM 0 HD3 ARG A 77 -6.971 5.970 -2.214 1.00 42.35 H new ATOM 0 HE ARG A 77 -8.316 4.286 -3.905 1.00 12.14 H new ATOM 0 HH11 ARG A 77 -8.402 4.742 -0.399 1.00 14.12 H new ATOM 0 HH12 ARG A 77 -10.113 4.318 -0.274 1.00 14.12 H new ATOM 0 HH21 ARG A 77 -10.491 3.728 -3.732 1.00 54.50 H new ATOM 0 HH22 ARG A 77 -11.291 3.745 -2.157 1.00 54.50 H new ATOM 1094 N SER A 78 -2.558 6.519 -4.226 1.00 53.13 N ATOM 1095 CA SER A 78 -2.365 7.588 -5.199 1.00 5.33 C ATOM 1096 C SER A 78 -1.235 7.247 -6.171 1.00 12.21 C ATOM 1097 O SER A 78 -1.290 7.614 -7.348 1.00 10.14 O ATOM 1098 CB SER A 78 -2.074 8.918 -4.486 1.00 31.02 C ATOM 1099 OG SER A 78 -2.027 10.003 -5.402 1.00 1.35 O ATOM 0 H SER A 78 -2.357 6.787 -3.262 1.00 53.13 H new ATOM 0 HA SER A 78 -3.286 7.693 -5.772 1.00 5.33 H new ATOM 0 HB2 SER A 78 -2.844 9.106 -3.737 1.00 31.02 H new ATOM 0 HB3 SER A 78 -1.124 8.847 -3.956 1.00 31.02 H new ATOM 0 HG SER A 78 -1.842 10.834 -4.916 1.00 1.35 H new ATOM 1105 N ALA A 79 -0.213 6.546 -5.687 1.00 40.13 N ATOM 1106 CA ALA A 79 0.907 6.170 -6.542 1.00 11.23 C ATOM 1107 C ALA A 79 0.498 5.046 -7.489 1.00 0.42 C ATOM 1108 O ALA A 79 0.610 5.181 -8.706 1.00 33.51 O ATOM 1109 CB ALA A 79 2.107 5.752 -5.692 1.00 73.41 C ATOM 0 H ALA A 79 -0.138 6.231 -4.720 1.00 40.13 H new ATOM 0 HA ALA A 79 1.195 7.034 -7.141 1.00 11.23 H new ATOM 0 HB1 ALA A 79 2.935 5.474 -6.344 1.00 73.41 H new ATOM 0 HB2 ALA A 79 2.409 6.584 -5.055 1.00 73.41 H new ATOM 0 HB3 ALA A 79 1.833 4.900 -5.070 1.00 73.41 H new ATOM 1115 N LEU A 80 -0.075 3.984 -6.928 1.00 13.40 N ATOM 1116 CA LEU A 80 -0.463 2.808 -7.707 1.00 55.23 C ATOM 1117 C LEU A 80 -1.403 3.191 -8.843 1.00 24.02 C ATOM 1118 O LEU A 80 -1.234 2.732 -9.979 1.00 45.41 O ATOM 1119 CB LEU A 80 -1.112 1.741 -6.801 1.00 43.04 C ATOM 1120 CG LEU A 80 -0.140 0.726 -6.167 1.00 72.10 C ATOM 1121 CD1 LEU A 80 0.523 -0.130 -7.245 1.00 1.52 C ATOM 1122 CD2 LEU A 80 0.917 1.432 -5.318 1.00 34.24 C ATOM 0 H LEU A 80 -0.282 3.913 -5.932 1.00 13.40 H new ATOM 0 HA LEU A 80 0.440 2.383 -8.144 1.00 55.23 H new ATOM 0 HB2 LEU A 80 -1.652 2.248 -6.001 1.00 43.04 H new ATOM 0 HB3 LEU A 80 -1.850 1.193 -7.386 1.00 43.04 H new ATOM 0 HG LEU A 80 -0.717 0.073 -5.512 1.00 72.10 H new ATOM 0 HD11 LEU A 80 1.205 -0.840 -6.777 1.00 1.52 H new ATOM 0 HD12 LEU A 80 -0.242 -0.673 -7.800 1.00 1.52 H new ATOM 0 HD13 LEU A 80 1.079 0.512 -7.928 1.00 1.52 H new ATOM 0 HD21 LEU A 80 1.589 0.692 -4.883 1.00 34.24 H new ATOM 0 HD22 LEU A 80 1.489 2.117 -5.944 1.00 34.24 H new ATOM 0 HD23 LEU A 80 0.429 1.991 -4.520 1.00 34.24 H new ATOM 1134 N VAL A 81 -2.384 4.039 -8.540 1.00 62.42 N ATOM 1135 CA VAL A 81 -3.308 4.523 -9.563 1.00 22.34 C ATOM 1136 C VAL A 81 -2.586 5.459 -10.541 1.00 74.24 C ATOM 1137 O VAL A 81 -2.950 5.543 -11.714 1.00 64.34 O ATOM 1138 CB VAL A 81 -4.534 5.250 -8.946 1.00 15.33 C ATOM 1139 CG1 VAL A 81 -4.125 6.554 -8.267 1.00 12.31 C ATOM 1140 CG2 VAL A 81 -5.610 5.501 -10.005 1.00 61.23 C ATOM 0 H VAL A 81 -2.559 4.402 -7.603 1.00 62.42 H new ATOM 0 HA VAL A 81 -3.675 3.649 -10.101 1.00 22.34 H new ATOM 0 HB VAL A 81 -4.954 4.597 -8.181 1.00 15.33 H new ATOM 0 HG11 VAL A 81 -5.007 7.037 -7.846 1.00 12.31 H new ATOM 0 HG12 VAL A 81 -3.412 6.341 -7.470 1.00 12.31 H new ATOM 0 HG13 VAL A 81 -3.663 7.216 -8.999 1.00 12.31 H new ATOM 0 HG21 VAL A 81 -6.458 6.011 -9.548 1.00 61.23 H new ATOM 0 HG22 VAL A 81 -5.199 6.122 -10.801 1.00 61.23 H new ATOM 0 HG23 VAL A 81 -5.940 4.549 -10.421 1.00 61.23 H new ATOM 1150 N GLY A 82 -1.539 6.134 -10.059 1.00 62.43 N ATOM 1151 CA GLY A 82 -0.840 7.116 -10.874 1.00 43.14 C ATOM 1152 C GLY A 82 0.178 6.470 -11.792 1.00 42.43 C ATOM 1153 O GLY A 82 0.557 7.036 -12.821 1.00 43.31 O ATOM 0 H GLY A 82 -1.164 6.017 -9.118 1.00 62.43 H new ATOM 0 HA2 GLY A 82 -1.563 7.674 -11.469 1.00 43.14 H new ATOM 0 HA3 GLY A 82 -0.339 7.835 -10.226 1.00 43.14 H new ATOM 1157 N SER A 83 0.624 5.283 -11.406 1.00 0.42 N ATOM 1158 CA SER A 83 1.569 4.508 -12.199 1.00 44.42 C ATOM 1159 C SER A 83 0.820 3.516 -13.092 1.00 73.05 C ATOM 1160 O SER A 83 1.401 2.903 -13.987 1.00 75.30 O ATOM 1161 CB SER A 83 2.540 3.779 -11.266 1.00 74.25 C ATOM 1162 OG SER A 83 3.185 4.692 -10.392 1.00 32.15 O ATOM 0 H SER A 83 0.342 4.830 -10.536 1.00 0.42 H new ATOM 0 HA SER A 83 2.139 5.178 -12.844 1.00 44.42 H new ATOM 0 HB2 SER A 83 2.000 3.032 -10.684 1.00 74.25 H new ATOM 0 HB3 SER A 83 3.286 3.245 -11.856 1.00 74.25 H new ATOM 0 HG SER A 83 3.904 5.152 -10.873 1.00 32.15 H new ATOM 1168 N GLY A 84 -0.476 3.358 -12.826 1.00 75.31 N ATOM 1169 CA GLY A 84 -1.317 2.509 -13.651 1.00 34.41 C ATOM 1170 C GLY A 84 -1.029 1.029 -13.480 1.00 33.44 C ATOM 1171 O GLY A 84 -1.419 0.217 -14.321 1.00 2.14 O ATOM 0 H GLY A 84 -0.960 3.807 -12.048 1.00 75.31 H new ATOM 0 HA2 GLY A 84 -2.362 2.699 -13.408 1.00 34.41 H new ATOM 0 HA3 GLY A 84 -1.179 2.780 -14.698 1.00 34.41 H new ATOM 1175 N LEU A 85 -0.347 0.671 -12.395 1.00 52.11 N ATOM 1176 CA LEU A 85 -0.067 -0.736 -12.096 1.00 70.12 C ATOM 1177 C LEU A 85 -1.366 -1.468 -11.773 1.00 40.31 C ATOM 1178 O LEU A 85 -1.523 -2.649 -12.087 1.00 22.02 O ATOM 1179 CB LEU A 85 0.934 -0.857 -10.932 1.00 51.42 C ATOM 1180 CG LEU A 85 2.425 -0.784 -11.326 1.00 52.43 C ATOM 1181 CD1 LEU A 85 2.712 0.441 -12.188 1.00 2.43 C ATOM 1182 CD2 LEU A 85 3.312 -0.778 -10.083 1.00 32.12 C ATOM 0 H LEU A 85 0.022 1.330 -11.709 1.00 52.11 H new ATOM 0 HA LEU A 85 0.384 -1.198 -12.974 1.00 70.12 H new ATOM 0 HB2 LEU A 85 0.727 -0.064 -10.214 1.00 51.42 H new ATOM 0 HB3 LEU A 85 0.757 -1.803 -10.421 1.00 51.42 H new ATOM 0 HG LEU A 85 2.655 -1.672 -11.915 1.00 52.43 H new ATOM 0 HD11 LEU A 85 3.770 0.463 -12.448 1.00 2.43 H new ATOM 0 HD12 LEU A 85 2.115 0.393 -13.099 1.00 2.43 H new ATOM 0 HD13 LEU A 85 2.456 1.344 -11.634 1.00 2.43 H new ATOM 0 HD21 LEU A 85 4.359 -0.726 -10.383 1.00 32.12 H new ATOM 0 HD22 LEU A 85 3.068 0.087 -9.466 1.00 32.12 H new ATOM 0 HD23 LEU A 85 3.143 -1.691 -9.511 1.00 32.12 H new ATOM 1194 N VAL A 86 -2.292 -0.746 -11.148 1.00 54.21 N ATOM 1195 CA VAL A 86 -3.631 -1.254 -10.849 1.00 20.44 C ATOM 1196 C VAL A 86 -4.652 -0.131 -11.013 1.00 12.54 C ATOM 1197 O VAL A 86 -4.280 1.017 -11.276 1.00 61.32 O ATOM 1198 CB VAL A 86 -3.742 -1.835 -9.408 1.00 11.44 C ATOM 1199 CG1 VAL A 86 -2.919 -3.111 -9.258 1.00 41.03 C ATOM 1200 CG2 VAL A 86 -3.326 -0.797 -8.369 1.00 25.33 C ATOM 0 H VAL A 86 -2.136 0.211 -10.833 1.00 54.21 H new ATOM 0 HA VAL A 86 -3.831 -2.065 -11.549 1.00 20.44 H new ATOM 0 HB VAL A 86 -4.787 -2.091 -9.235 1.00 11.44 H new ATOM 0 HG11 VAL A 86 -3.018 -3.491 -8.241 1.00 41.03 H new ATOM 0 HG12 VAL A 86 -3.279 -3.861 -9.962 1.00 41.03 H new ATOM 0 HG13 VAL A 86 -1.871 -2.894 -9.464 1.00 41.03 H new ATOM 0 HG21 VAL A 86 -3.412 -1.226 -7.371 1.00 25.33 H new ATOM 0 HG22 VAL A 86 -2.293 -0.497 -8.547 1.00 25.33 H new ATOM 0 HG23 VAL A 86 -3.975 0.075 -8.446 1.00 25.33 H new ATOM 1210 N ASP A 87 -5.930 -0.463 -10.859 1.00 44.11 N ATOM 1211 CA ASP A 87 -6.999 0.528 -10.964 1.00 23.23 C ATOM 1212 C ASP A 87 -7.086 1.346 -9.680 1.00 71.32 C ATOM 1213 O ASP A 87 -7.088 2.577 -9.712 1.00 14.15 O ATOM 1214 CB ASP A 87 -8.343 -0.160 -11.247 1.00 25.12 C ATOM 1215 CG ASP A 87 -9.508 0.818 -11.296 1.00 64.33 C ATOM 1216 OD1 ASP A 87 -9.720 1.445 -12.355 1.00 50.31 O ATOM 1217 OD2 ASP A 87 -10.221 0.961 -10.284 1.00 3.11 O ATOM 0 H ASP A 87 -6.252 -1.410 -10.661 1.00 44.11 H new ATOM 0 HA ASP A 87 -6.771 1.198 -11.793 1.00 23.23 H new ATOM 0 HB2 ASP A 87 -8.281 -0.692 -12.197 1.00 25.12 H new ATOM 0 HB3 ASP A 87 -8.533 -0.906 -10.476 1.00 25.12 H new ATOM 1222 N ASP A 88 -7.151 0.644 -8.555 1.00 45.43 N ATOM 1223 CA ASP A 88 -7.241 1.275 -7.238 1.00 51.52 C ATOM 1224 C ASP A 88 -6.987 0.219 -6.164 1.00 22.40 C ATOM 1225 O ASP A 88 -6.929 -0.973 -6.477 1.00 64.10 O ATOM 1226 CB ASP A 88 -8.624 1.927 -7.054 1.00 44.42 C ATOM 1227 CG ASP A 88 -8.718 2.788 -5.802 1.00 12.03 C ATOM 1228 OD1 ASP A 88 -9.599 2.527 -4.954 1.00 65.15 O ATOM 1229 OD2 ASP A 88 -7.907 3.726 -5.660 1.00 40.23 O ATOM 0 H ASP A 88 -7.143 -0.376 -8.527 1.00 45.43 H new ATOM 0 HA ASP A 88 -6.489 2.059 -7.151 1.00 51.52 H new ATOM 0 HB2 ASP A 88 -8.849 2.540 -7.927 1.00 44.42 H new ATOM 0 HB3 ASP A 88 -9.384 1.147 -7.009 1.00 44.42 H new ATOM 1234 N ILE A 89 -6.821 0.635 -4.911 1.00 10.43 N ATOM 1235 CA ILE A 89 -6.554 -0.314 -3.829 1.00 51.32 C ATOM 1236 C ILE A 89 -7.570 -0.157 -2.705 1.00 1.54 C ATOM 1237 O ILE A 89 -8.310 0.825 -2.653 1.00 10.52 O ATOM 1238 CB ILE A 89 -5.123 -0.157 -3.240 1.00 0.24 C ATOM 1239 CG1 ILE A 89 -5.017 1.110 -2.372 1.00 60.24 C ATOM 1240 CG2 ILE A 89 -4.079 -0.135 -4.355 1.00 43.34 C ATOM 1241 CD1 ILE A 89 -3.698 1.235 -1.630 1.00 3.31 C ATOM 0 H ILE A 89 -6.866 1.612 -4.620 1.00 10.43 H new ATOM 0 HA ILE A 89 -6.636 -1.308 -4.269 1.00 51.32 H new ATOM 0 HB ILE A 89 -4.927 -1.019 -2.602 1.00 0.24 H new ATOM 0 HG12 ILE A 89 -5.151 1.986 -3.006 1.00 60.24 H new ATOM 0 HG13 ILE A 89 -5.832 1.113 -1.648 1.00 60.24 H new ATOM 0 HG21 ILE A 89 -3.085 -0.024 -3.921 1.00 43.34 H new ATOM 0 HG22 ILE A 89 -4.128 -1.067 -4.917 1.00 43.34 H new ATOM 0 HG23 ILE A 89 -4.278 0.703 -5.023 1.00 43.34 H new ATOM 0 HD11 ILE A 89 -3.698 2.152 -1.040 1.00 3.31 H new ATOM 0 HD12 ILE A 89 -3.570 0.378 -0.969 1.00 3.31 H new ATOM 0 HD13 ILE A 89 -2.878 1.265 -2.348 1.00 3.31 H new ATOM 1253 N ARG A 90 -7.591 -1.134 -1.808 1.00 53.33 N ATOM 1254 CA ARG A 90 -8.466 -1.108 -0.644 1.00 55.34 C ATOM 1255 C ARG A 90 -7.829 -1.916 0.482 1.00 63.44 C ATOM 1256 O ARG A 90 -7.653 -3.134 0.374 1.00 44.23 O ATOM 1257 CB ARG A 90 -9.856 -1.648 -1.007 1.00 31.14 C ATOM 1258 CG ARG A 90 -10.820 -1.723 0.173 1.00 41.25 C ATOM 1259 CD ARG A 90 -12.273 -1.791 -0.282 1.00 31.21 C ATOM 1260 NE ARG A 90 -12.712 -0.528 -0.881 1.00 12.10 N ATOM 1261 CZ ARG A 90 -13.973 -0.094 -0.887 1.00 23.31 C ATOM 1262 NH1 ARG A 90 -14.939 -0.823 -0.340 1.00 65.22 N ATOM 1263 NH2 ARG A 90 -14.264 1.075 -1.439 1.00 75.54 N ATOM 0 H ARG A 90 -7.003 -1.965 -1.867 1.00 53.33 H new ATOM 0 HA ARG A 90 -8.595 -0.080 -0.304 1.00 55.34 H new ATOM 0 HB2 ARG A 90 -10.291 -1.013 -1.779 1.00 31.14 H new ATOM 0 HB3 ARG A 90 -9.747 -2.643 -1.438 1.00 31.14 H new ATOM 0 HG2 ARG A 90 -10.587 -2.600 0.776 1.00 41.25 H new ATOM 0 HG3 ARG A 90 -10.680 -0.851 0.812 1.00 41.25 H new ATOM 0 HD2 ARG A 90 -12.390 -2.597 -1.006 1.00 31.21 H new ATOM 0 HD3 ARG A 90 -12.910 -2.031 0.569 1.00 31.21 H new ATOM 0 HE ARG A 90 -12.005 0.059 -1.324 1.00 12.10 H new ATOM 0 HH11 ARG A 90 -14.719 -1.722 0.089 1.00 65.22 H new ATOM 0 HH12 ARG A 90 -15.901 -0.484 -0.349 1.00 65.22 H new ATOM 0 HH21 ARG A 90 -13.525 1.640 -1.857 1.00 75.54 H new ATOM 0 HH22 ARG A 90 -15.227 1.410 -1.446 1.00 75.54 H new ATOM 1277 N ILE A 91 -7.450 -1.220 1.546 1.00 74.24 N ATOM 1278 CA ILE A 91 -6.745 -1.831 2.664 1.00 73.31 C ATOM 1279 C ILE A 91 -7.705 -2.101 3.817 1.00 12.12 C ATOM 1280 O ILE A 91 -8.400 -1.196 4.273 1.00 1.11 O ATOM 1281 CB ILE A 91 -5.597 -0.915 3.165 1.00 52.43 C ATOM 1282 CG1 ILE A 91 -4.609 -0.613 2.024 1.00 31.31 C ATOM 1283 CG2 ILE A 91 -4.874 -1.553 4.354 1.00 12.23 C ATOM 1284 CD1 ILE A 91 -3.492 0.336 2.411 1.00 63.21 C ATOM 0 H ILE A 91 -7.622 -0.221 1.658 1.00 74.24 H new ATOM 0 HA ILE A 91 -6.322 -2.772 2.312 1.00 73.31 H new ATOM 0 HB ILE A 91 -6.032 0.027 3.499 1.00 52.43 H new ATOM 0 HG12 ILE A 91 -4.172 -1.550 1.678 1.00 31.31 H new ATOM 0 HG13 ILE A 91 -5.159 -0.188 1.184 1.00 31.31 H new ATOM 0 HG21 ILE A 91 -4.073 -0.894 4.689 1.00 12.23 H new ATOM 0 HG22 ILE A 91 -5.581 -1.708 5.169 1.00 12.23 H new ATOM 0 HG23 ILE A 91 -4.452 -2.512 4.052 1.00 12.23 H new ATOM 0 HD11 ILE A 91 -2.839 0.498 1.554 1.00 63.21 H new ATOM 0 HD12 ILE A 91 -3.917 1.288 2.729 1.00 63.21 H new ATOM 0 HD13 ILE A 91 -2.916 -0.095 3.230 1.00 63.21 H new ATOM 1296 N ASN A 92 -7.759 -3.348 4.267 1.00 33.45 N ATOM 1297 CA ASN A 92 -8.538 -3.698 5.447 1.00 33.13 C ATOM 1298 C ASN A 92 -7.627 -3.698 6.669 1.00 63.11 C ATOM 1299 O ASN A 92 -6.606 -4.393 6.700 1.00 55.42 O ATOM 1300 CB ASN A 92 -9.238 -5.061 5.278 1.00 31.41 C ATOM 1301 CG ASN A 92 -8.293 -6.189 4.900 1.00 2.53 C ATOM 1302 OD1 ASN A 92 -7.673 -6.803 5.892 1.00 64.42 O flip ATOM 1303 ND2 ASN A 92 -8.119 -6.500 3.719 1.00 22.44 N flip ATOM 0 H ASN A 92 -7.273 -4.133 3.833 1.00 33.45 H new ATOM 0 HA ASN A 92 -9.322 -2.954 5.583 1.00 33.13 H new ATOM 0 HB2 ASN A 92 -9.743 -5.318 6.209 1.00 31.41 H new ATOM 0 HB3 ASN A 92 -10.008 -4.972 4.512 1.00 31.41 H new ATOM 0 HD21 ASN A 92 -8.617 -6.001 2.982 1.00 22.44 H new ATOM 0 HD22 ASN A 92 -7.477 -7.256 3.480 1.00 22.44 H new ATOM 1310 N TRP A 93 -7.977 -2.883 7.656 1.00 34.31 N ATOM 1311 CA TRP A 93 -7.193 -2.772 8.876 1.00 11.41 C ATOM 1312 C TRP A 93 -7.694 -3.779 9.911 1.00 35.43 C ATOM 1313 O TRP A 93 -8.771 -3.609 10.482 1.00 30.21 O ATOM 1314 CB TRP A 93 -7.276 -1.339 9.428 1.00 54.13 C ATOM 1315 CG TRP A 93 -6.786 -0.289 8.464 1.00 10.03 C ATOM 1316 CD1 TRP A 93 -7.544 0.611 7.765 1.00 1.31 C ATOM 1317 CD2 TRP A 93 -5.427 -0.038 8.086 1.00 11.23 C ATOM 1318 NE1 TRP A 93 -6.732 1.407 6.990 1.00 45.50 N ATOM 1319 CE2 TRP A 93 -5.434 1.025 7.167 1.00 72.42 C ATOM 1320 CE3 TRP A 93 -4.205 -0.609 8.438 1.00 64.53 C ATOM 1321 CZ2 TRP A 93 -4.269 1.528 6.599 1.00 24.22 C ATOM 1322 CZ3 TRP A 93 -3.048 -0.110 7.875 1.00 33.42 C ATOM 1323 CH2 TRP A 93 -3.088 0.949 6.963 1.00 13.13 C ATOM 0 H TRP A 93 -8.804 -2.286 7.633 1.00 34.31 H new ATOM 0 HA TRP A 93 -6.150 -2.995 8.652 1.00 11.41 H new ATOM 0 HB2 TRP A 93 -8.310 -1.121 9.694 1.00 54.13 H new ATOM 0 HB3 TRP A 93 -6.691 -1.278 10.346 1.00 54.13 H new ATOM 0 HD1 TRP A 93 -8.620 0.685 7.814 1.00 1.31 H new ATOM 0 HE1 TRP A 93 -7.049 2.161 6.381 1.00 45.50 H new ATOM 0 HE3 TRP A 93 -4.164 -1.429 9.140 1.00 64.53 H new ATOM 0 HZ2 TRP A 93 -4.298 2.347 5.895 1.00 24.22 H new ATOM 0 HZ3 TRP A 93 -2.096 -0.545 8.143 1.00 33.42 H new ATOM 0 HH2 TRP A 93 -2.166 1.316 6.538 1.00 13.13 H new ATOM 1334 N VAL A 94 -6.922 -4.838 10.136 1.00 75.42 N ATOM 1335 CA VAL A 94 -7.310 -5.877 11.087 1.00 12.54 C ATOM 1336 C VAL A 94 -6.771 -5.582 12.485 1.00 41.02 C ATOM 1337 O VAL A 94 -5.570 -5.375 12.681 1.00 22.33 O ATOM 1338 CB VAL A 94 -6.857 -7.289 10.636 1.00 62.20 C ATOM 1339 CG1 VAL A 94 -7.682 -7.751 9.441 1.00 52.31 C ATOM 1340 CG2 VAL A 94 -5.363 -7.316 10.308 1.00 62.23 C ATOM 0 H VAL A 94 -6.027 -5.000 9.675 1.00 75.42 H new ATOM 0 HA VAL A 94 -8.400 -5.869 11.119 1.00 12.54 H new ATOM 0 HB VAL A 94 -7.024 -7.979 11.463 1.00 62.20 H new ATOM 0 HG11 VAL A 94 -7.354 -8.744 9.134 1.00 52.31 H new ATOM 0 HG12 VAL A 94 -8.736 -7.787 9.718 1.00 52.31 H new ATOM 0 HG13 VAL A 94 -7.548 -7.053 8.615 1.00 52.31 H new ATOM 0 HG21 VAL A 94 -5.077 -8.320 9.995 1.00 62.23 H new ATOM 0 HG22 VAL A 94 -5.155 -6.612 9.502 1.00 62.23 H new ATOM 0 HG23 VAL A 94 -4.791 -7.035 11.192 1.00 62.23 H new ATOM 1350 N TRP A 95 -7.678 -5.536 13.451 1.00 32.14 N ATOM 1351 CA TRP A 95 -7.320 -5.349 14.854 1.00 13.12 C ATOM 1352 C TRP A 95 -7.622 -6.623 15.640 1.00 25.14 C ATOM 1353 O TRP A 95 -6.920 -6.969 16.590 1.00 12.04 O ATOM 1354 CB TRP A 95 -8.107 -4.168 15.440 1.00 35.41 C ATOM 1355 CG TRP A 95 -8.114 -2.969 14.537 1.00 74.31 C ATOM 1356 CD1 TRP A 95 -7.053 -2.169 14.230 1.00 0.43 C ATOM 1357 CD2 TRP A 95 -9.237 -2.441 13.817 1.00 72.50 C ATOM 1358 NE1 TRP A 95 -7.446 -1.175 13.370 1.00 44.53 N ATOM 1359 CE2 TRP A 95 -8.782 -1.319 13.102 1.00 74.11 C ATOM 1360 CE3 TRP A 95 -10.582 -2.808 13.711 1.00 54.35 C ATOM 1361 CZ2 TRP A 95 -9.622 -0.561 12.291 1.00 23.01 C ATOM 1362 CZ3 TRP A 95 -11.417 -2.055 12.906 1.00 62.53 C ATOM 1363 CH2 TRP A 95 -10.934 -0.943 12.204 1.00 13.03 C ATOM 0 H TRP A 95 -8.681 -5.627 13.287 1.00 32.14 H new ATOM 0 HA TRP A 95 -6.254 -5.133 14.926 1.00 13.12 H new ATOM 0 HB2 TRP A 95 -9.134 -4.480 15.630 1.00 35.41 H new ATOM 0 HB3 TRP A 95 -7.675 -3.891 16.402 1.00 35.41 H new ATOM 0 HD1 TRP A 95 -6.050 -2.299 14.609 1.00 0.43 H new ATOM 0 HE1 TRP A 95 -6.841 -0.446 12.991 1.00 44.53 H new ATOM 0 HE3 TRP A 95 -10.962 -3.664 14.248 1.00 54.35 H new ATOM 0 HZ2 TRP A 95 -9.252 0.297 11.750 1.00 23.01 H new ATOM 0 HZ3 TRP A 95 -12.458 -2.329 12.817 1.00 62.53 H new ATOM 0 HH2 TRP A 95 -11.610 -0.376 11.582 1.00 13.03 H new ATOM 1374 N ASN A 96 -8.665 -7.328 15.205 1.00 0.31 N ATOM 1375 CA ASN A 96 -9.141 -8.533 15.881 1.00 73.43 C ATOM 1376 C ASN A 96 -10.121 -9.304 14.982 1.00 12.21 C ATOM 1377 O ASN A 96 -9.942 -10.505 14.773 1.00 64.02 O ATOM 1378 CB ASN A 96 -9.803 -8.175 17.227 1.00 44.32 C ATOM 1379 CG ASN A 96 -10.408 -9.375 17.942 1.00 73.35 C ATOM 1380 OD1 ASN A 96 -9.924 -10.504 17.826 1.00 33.41 O ATOM 1381 ND2 ASN A 96 -11.476 -9.137 18.693 1.00 73.20 N ATOM 0 H ASN A 96 -9.203 -7.080 14.375 1.00 0.31 H new ATOM 0 HA ASN A 96 -8.284 -9.175 16.083 1.00 73.43 H new ATOM 0 HB2 ASN A 96 -9.061 -7.711 17.876 1.00 44.32 H new ATOM 0 HB3 ASN A 96 -10.583 -7.434 17.054 1.00 44.32 H new ATOM 0 HD21 ASN A 96 -11.925 -9.901 19.198 1.00 73.20 H new ATOM 0 HD22 ASN A 96 -11.848 -8.190 18.765 1.00 73.20 H new ATOM 1388 N PRO A 97 -11.169 -8.636 14.424 1.00 61.10 N ATOM 1389 CA PRO A 97 -12.126 -9.296 13.521 1.00 54.31 C ATOM 1390 C PRO A 97 -11.470 -9.723 12.200 1.00 63.14 C ATOM 1391 O PRO A 97 -10.758 -8.938 11.567 1.00 33.22 O ATOM 1392 CB PRO A 97 -13.202 -8.223 13.283 1.00 5.11 C ATOM 1393 CG PRO A 97 -12.507 -6.930 13.535 1.00 62.43 C ATOM 1394 CD PRO A 97 -11.516 -7.209 14.630 1.00 22.32 C ATOM 0 HA PRO A 97 -12.526 -10.216 13.947 1.00 54.31 H new ATOM 0 HB2 PRO A 97 -13.592 -8.272 12.266 1.00 5.11 H new ATOM 0 HB3 PRO A 97 -14.049 -8.355 13.956 1.00 5.11 H new ATOM 0 HG2 PRO A 97 -12.006 -6.573 12.635 1.00 62.43 H new ATOM 0 HG3 PRO A 97 -13.215 -6.157 13.835 1.00 62.43 H new ATOM 0 HD2 PRO A 97 -10.639 -6.567 14.551 1.00 22.32 H new ATOM 0 HD3 PRO A 97 -11.948 -7.039 15.616 1.00 22.32 H new ATOM 1402 N PRO A 98 -11.699 -10.979 11.767 1.00 14.34 N ATOM 1403 CA PRO A 98 -11.090 -11.516 10.548 1.00 23.41 C ATOM 1404 C PRO A 98 -11.763 -11.004 9.269 1.00 23.01 C ATOM 1405 O PRO A 98 -12.643 -11.665 8.711 1.00 31.42 O ATOM 1406 CB PRO A 98 -11.283 -13.029 10.704 1.00 42.35 C ATOM 1407 CG PRO A 98 -12.547 -13.153 11.485 1.00 5.52 C ATOM 1408 CD PRO A 98 -12.560 -11.981 12.436 1.00 71.30 C ATOM 0 HA PRO A 98 -10.049 -11.212 10.442 1.00 23.41 H new ATOM 0 HB2 PRO A 98 -11.362 -13.523 9.736 1.00 42.35 H new ATOM 0 HB3 PRO A 98 -10.444 -13.487 11.228 1.00 42.35 H new ATOM 0 HG2 PRO A 98 -13.416 -13.133 10.828 1.00 5.52 H new ATOM 0 HG3 PRO A 98 -12.580 -14.098 12.028 1.00 5.52 H new ATOM 0 HD2 PRO A 98 -13.570 -11.602 12.591 1.00 71.30 H new ATOM 0 HD3 PRO A 98 -12.169 -12.255 13.416 1.00 71.30 H new ATOM 1416 N TRP A 99 -11.373 -9.799 8.857 1.00 62.00 N ATOM 1417 CA TRP A 99 -11.734 -9.237 7.550 1.00 41.24 C ATOM 1418 C TRP A 99 -13.254 -9.198 7.333 1.00 44.11 C ATOM 1419 O TRP A 99 -13.867 -10.193 6.932 1.00 12.34 O ATOM 1420 CB TRP A 99 -11.052 -10.040 6.424 1.00 74.32 C ATOM 1421 CG TRP A 99 -9.631 -10.415 6.748 1.00 65.21 C ATOM 1422 CD1 TRP A 99 -8.567 -9.571 6.895 1.00 42.35 C ATOM 1423 CD2 TRP A 99 -9.125 -11.737 6.976 1.00 42.24 C ATOM 1424 NE1 TRP A 99 -7.442 -10.280 7.220 1.00 5.25 N ATOM 1425 CE2 TRP A 99 -7.751 -11.613 7.263 1.00 31.13 C ATOM 1426 CE3 TRP A 99 -9.698 -13.012 6.961 1.00 53.34 C ATOM 1427 CZ2 TRP A 99 -6.949 -12.714 7.543 1.00 24.02 C ATOM 1428 CZ3 TRP A 99 -8.899 -14.105 7.235 1.00 14.31 C ATOM 1429 CH2 TRP A 99 -7.536 -13.952 7.521 1.00 74.42 C ATOM 0 H TRP A 99 -10.794 -9.178 9.422 1.00 62.00 H new ATOM 0 HA TRP A 99 -11.380 -8.206 7.528 1.00 41.24 H new ATOM 0 HB2 TRP A 99 -11.627 -10.946 6.232 1.00 74.32 H new ATOM 0 HB3 TRP A 99 -11.067 -9.453 5.506 1.00 74.32 H new ATOM 0 HD1 TRP A 99 -8.608 -8.499 6.772 1.00 42.35 H new ATOM 0 HE1 TRP A 99 -6.522 -9.880 7.401 1.00 5.25 H new ATOM 0 HE3 TRP A 99 -10.747 -13.140 6.739 1.00 53.34 H new ATOM 0 HZ2 TRP A 99 -5.900 -12.597 7.770 1.00 24.02 H new ATOM 0 HZ3 TRP A 99 -9.332 -15.094 7.229 1.00 14.31 H new ATOM 0 HH2 TRP A 99 -6.937 -14.826 7.728 1.00 74.42 H new ATOM 1440 N GLY A 100 -13.855 -8.042 7.596 1.00 72.11 N ATOM 1441 CA GLY A 100 -15.284 -7.870 7.402 1.00 73.21 C ATOM 1442 C GLY A 100 -15.613 -6.453 6.974 1.00 3.23 C ATOM 1443 O GLY A 100 -15.214 -6.035 5.883 1.00 32.13 O ATOM 0 H GLY A 100 -13.372 -7.213 7.944 1.00 72.11 H new ATOM 0 HA2 GLY A 100 -15.638 -8.572 6.647 1.00 73.21 H new ATOM 0 HA3 GLY A 100 -15.810 -8.105 8.327 1.00 73.21 H new ATOM 1447 N PRO A 101 -16.311 -5.667 7.817 1.00 64.13 N ATOM 1448 CA PRO A 101 -16.567 -4.250 7.533 1.00 52.02 C ATOM 1449 C PRO A 101 -15.259 -3.461 7.513 1.00 21.23 C ATOM 1450 O PRO A 101 -15.198 -2.341 7.005 1.00 21.13 O ATOM 1451 CB PRO A 101 -17.472 -3.799 8.690 1.00 60.34 C ATOM 1452 CG PRO A 101 -17.214 -4.782 9.785 1.00 20.41 C ATOM 1453 CD PRO A 101 -16.901 -6.088 9.103 1.00 1.05 C ATOM 0 HA PRO A 101 -17.028 -4.088 6.559 1.00 52.02 H new ATOM 0 HB2 PRO A 101 -17.233 -2.784 9.006 1.00 60.34 H new ATOM 0 HB3 PRO A 101 -18.521 -3.802 8.395 1.00 60.34 H new ATOM 0 HG2 PRO A 101 -16.382 -4.459 10.411 1.00 20.41 H new ATOM 0 HG3 PRO A 101 -18.083 -4.880 10.435 1.00 20.41 H new ATOM 0 HD2 PRO A 101 -16.205 -6.690 9.687 1.00 1.05 H new ATOM 0 HD3 PRO A 101 -17.798 -6.690 8.956 1.00 1.05 H new ATOM 1461 N ASP A 102 -14.216 -4.091 8.057 1.00 25.02 N ATOM 1462 CA ASP A 102 -12.861 -3.532 8.094 1.00 70.11 C ATOM 1463 C ASP A 102 -12.352 -3.257 6.682 1.00 43.34 C ATOM 1464 O ASP A 102 -11.392 -2.514 6.486 1.00 60.13 O ATOM 1465 CB ASP A 102 -11.901 -4.518 8.784 1.00 60.10 C ATOM 1466 CG ASP A 102 -12.528 -5.203 9.986 1.00 31.12 C ATOM 1467 OD1 ASP A 102 -12.344 -4.727 11.122 1.00 34.01 O ATOM 1468 OD2 ASP A 102 -13.237 -6.220 9.783 1.00 0.13 O ATOM 0 H ASP A 102 -14.288 -5.012 8.489 1.00 25.02 H new ATOM 0 HA ASP A 102 -12.898 -2.597 8.652 1.00 70.11 H new ATOM 0 HB2 ASP A 102 -11.584 -5.273 8.065 1.00 60.10 H new ATOM 0 HB3 ASP A 102 -11.005 -3.984 9.101 1.00 60.10 H new ATOM 1473 N LYS A 103 -13.005 -3.876 5.700 1.00 24.11 N ATOM 1474 CA LYS A 103 -12.609 -3.756 4.303 1.00 44.24 C ATOM 1475 C LYS A 103 -13.041 -2.412 3.716 1.00 20.44 C ATOM 1476 O LYS A 103 -12.519 -1.984 2.691 1.00 54.24 O ATOM 1477 CB LYS A 103 -13.240 -4.883 3.473 1.00 74.34 C ATOM 1478 CG LYS A 103 -12.692 -6.280 3.752 1.00 13.04 C ATOM 1479 CD LYS A 103 -13.315 -7.304 2.804 1.00 65.12 C ATOM 1480 CE LYS A 103 -12.832 -8.721 3.074 1.00 13.13 C ATOM 1481 NZ LYS A 103 -13.404 -9.687 2.099 1.00 72.31 N ATOM 0 H LYS A 103 -13.819 -4.471 5.852 1.00 24.11 H new ATOM 0 HA LYS A 103 -11.522 -3.827 4.264 1.00 44.24 H new ATOM 0 HB2 LYS A 103 -14.315 -4.889 3.655 1.00 74.34 H new ATOM 0 HB3 LYS A 103 -13.097 -4.658 2.416 1.00 74.34 H new ATOM 0 HG2 LYS A 103 -11.608 -6.281 3.635 1.00 13.04 H new ATOM 0 HG3 LYS A 103 -12.901 -6.559 4.785 1.00 13.04 H new ATOM 0 HD2 LYS A 103 -14.400 -7.270 2.900 1.00 65.12 H new ATOM 0 HD3 LYS A 103 -13.077 -7.033 1.775 1.00 65.12 H new ATOM 0 HE2 LYS A 103 -11.744 -8.752 3.022 1.00 13.13 H new ATOM 0 HE3 LYS A 103 -13.111 -9.015 4.086 1.00 13.13 H new ATOM 0 HZ1 LYS A 103 -13.054 -10.643 2.312 1.00 72.31 H new ATOM 0 HZ2 LYS A 103 -14.442 -9.675 2.166 1.00 72.31 H new ATOM 0 HZ3 LYS A 103 -13.117 -9.420 1.136 1.00 72.31 H new