USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=13 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 Set 1.1: A 62 THR OG1 : rot 180:sc= -0.0569 USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 66 CYS SG : rot 180:sc= -0.366 USER MOD Single : A 23 MET CE :methyl 178:sc= 0 (180deg=-0.00452) USER MOD Single : A 34 ASN : amide:sc= 0.062 K(o=0.062,f=-6.1!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.46 K(o=0.46,f=-0.34) USER MOD Single : A 53 THR OG1 : rot -113:sc= 0.588 USER MOD Single : A 59 MET CE :methyl 158:sc= -0.214 (180deg=-0.942) USER MOD Single : A 60 THR OG1 : rot 111:sc= 0.647 USER MOD Single : A 69 THR OG1 : rot 96:sc= 1.34 USER MOD Single : A 75 GLN : amide:sc= -2.26 K(o=-2.3,f=-0.88) USER MOD Single : A 76 SER OG : rot -160:sc= 0 USER MOD Single : A 78 SER OG : rot 71:sc= 1.25 USER MOD Single : A 83 SER OG : rot 87:sc= 0.764 USER MOD Single : A 92 ASN : amide:sc= -3.56! K(o=-3.6!,f=-1.9) USER MOD Single : A 96 ASN : amide:sc= -2.25 K(o=-2.3,f=-0.78) USER MOD Single : A 103 LYS NZ :NH3+ -163:sc= 0.53 (180deg=0.39) USER MOD ----------------------------------------------------------------- ATOM 110 N ALA A 10 2.979 -4.408 -15.054 1.00 34.41 N ATOM 111 CA ALA A 10 3.350 -3.445 -16.096 1.00 3.01 C ATOM 112 C ALA A 10 4.700 -3.818 -16.732 1.00 4.52 C ATOM 113 O ALA A 10 5.454 -4.618 -16.169 1.00 13.12 O ATOM 114 CB ALA A 10 3.378 -2.020 -15.531 1.00 73.42 C ATOM 0 HA ALA A 10 2.593 -3.481 -16.880 1.00 3.01 H new ATOM 0 HB1 ALA A 10 3.655 -1.321 -16.320 1.00 73.42 H new ATOM 0 HB2 ALA A 10 2.391 -1.761 -15.147 1.00 73.42 H new ATOM 0 HB3 ALA A 10 4.108 -1.963 -14.723 1.00 73.42 H new ATOM 120 N PRO A 11 5.014 -3.271 -17.929 1.00 13.32 N ATOM 121 CA PRO A 11 6.301 -3.518 -18.599 1.00 3.01 C ATOM 122 C PRO A 11 7.495 -3.157 -17.708 1.00 50.53 C ATOM 123 O PRO A 11 7.393 -2.279 -16.851 1.00 42.15 O ATOM 124 CB PRO A 11 6.255 -2.609 -19.843 1.00 72.44 C ATOM 125 CG PRO A 11 5.136 -1.653 -19.592 1.00 44.03 C ATOM 126 CD PRO A 11 4.146 -2.391 -18.735 1.00 41.11 C ATOM 0 HA PRO A 11 6.434 -4.572 -18.843 1.00 3.01 H new ATOM 0 HB2 PRO A 11 7.199 -2.082 -19.980 1.00 72.44 H new ATOM 0 HB3 PRO A 11 6.080 -3.190 -20.748 1.00 72.44 H new ATOM 0 HG2 PRO A 11 5.495 -0.755 -19.089 1.00 44.03 H new ATOM 0 HG3 PRO A 11 4.679 -1.332 -20.528 1.00 44.03 H new ATOM 0 HD2 PRO A 11 3.565 -1.712 -18.111 1.00 41.11 H new ATOM 0 HD3 PRO A 11 3.436 -2.960 -19.334 1.00 41.11 H new ATOM 134 N ALA A 12 8.626 -3.822 -17.944 1.00 1.31 N ATOM 135 CA ALA A 12 9.819 -3.692 -17.101 1.00 33.13 C ATOM 136 C ALA A 12 10.201 -2.231 -16.854 1.00 61.35 C ATOM 137 O ALA A 12 10.605 -1.864 -15.748 1.00 45.11 O ATOM 138 CB ALA A 12 10.987 -4.441 -17.734 1.00 61.31 C ATOM 0 H ALA A 12 8.743 -4.467 -18.725 1.00 1.31 H new ATOM 0 HA ALA A 12 9.583 -4.131 -16.132 1.00 33.13 H new ATOM 0 HB1 ALA A 12 11.869 -4.340 -17.102 1.00 61.31 H new ATOM 0 HB2 ALA A 12 10.731 -5.496 -17.834 1.00 61.31 H new ATOM 0 HB3 ALA A 12 11.196 -4.023 -18.719 1.00 61.31 H new ATOM 144 N GLU A 13 10.052 -1.402 -17.883 1.00 33.54 N ATOM 145 CA GLU A 13 10.437 0.006 -17.804 1.00 74.31 C ATOM 146 C GLU A 13 9.512 0.758 -16.844 1.00 2.54 C ATOM 147 O GLU A 13 9.967 1.432 -15.916 1.00 1.40 O ATOM 148 CB GLU A 13 10.387 0.665 -19.194 1.00 62.12 C ATOM 149 CG GLU A 13 11.230 -0.031 -20.268 1.00 44.05 C ATOM 150 CD GLU A 13 10.668 -1.378 -20.706 1.00 74.35 C ATOM 151 OE1 GLU A 13 9.437 -1.483 -20.883 1.00 60.34 O ATOM 152 OE2 GLU A 13 11.454 -2.330 -20.890 1.00 33.43 O ATOM 0 H GLU A 13 9.666 -1.681 -18.785 1.00 33.54 H new ATOM 0 HA GLU A 13 11.459 0.056 -17.429 1.00 74.31 H new ATOM 0 HB2 GLU A 13 9.350 0.695 -19.529 1.00 62.12 H new ATOM 0 HB3 GLU A 13 10.722 1.698 -19.103 1.00 62.12 H new ATOM 0 HG2 GLU A 13 11.306 0.622 -21.138 1.00 44.05 H new ATOM 0 HG3 GLU A 13 12.241 -0.175 -19.888 1.00 44.05 H new ATOM 159 N GLU A 14 8.209 0.614 -17.072 1.00 23.40 N ATOM 160 CA GLU A 14 7.194 1.303 -16.281 1.00 52.14 C ATOM 161 C GLU A 14 7.211 0.796 -14.836 1.00 70.03 C ATOM 162 O GLU A 14 7.197 1.584 -13.885 1.00 35.13 O ATOM 163 CB GLU A 14 5.815 1.083 -16.922 1.00 73.43 C ATOM 164 CG GLU A 14 4.687 1.886 -16.285 1.00 44.24 C ATOM 165 CD GLU A 14 3.379 1.761 -17.056 1.00 43.45 C ATOM 166 OE1 GLU A 14 2.452 1.073 -16.576 1.00 53.21 O ATOM 167 OE2 GLU A 14 3.279 2.342 -18.159 1.00 73.22 O ATOM 0 H GLU A 14 7.828 0.019 -17.808 1.00 23.40 H new ATOM 0 HA GLU A 14 7.410 2.371 -16.263 1.00 52.14 H new ATOM 0 HB2 GLU A 14 5.875 1.340 -17.980 1.00 73.43 H new ATOM 0 HB3 GLU A 14 5.567 0.023 -16.865 1.00 73.43 H new ATOM 0 HG2 GLU A 14 4.536 1.546 -15.261 1.00 44.24 H new ATOM 0 HG3 GLU A 14 4.976 2.936 -16.233 1.00 44.24 H new ATOM 174 N LEU A 15 7.264 -0.526 -14.698 1.00 44.24 N ATOM 175 CA LEU A 15 7.327 -1.188 -13.397 1.00 73.41 C ATOM 176 C LEU A 15 8.506 -0.657 -12.591 1.00 63.41 C ATOM 177 O LEU A 15 8.357 -0.282 -11.427 1.00 65.53 O ATOM 178 CB LEU A 15 7.439 -2.716 -13.607 1.00 12.21 C ATOM 179 CG LEU A 15 7.565 -3.606 -12.345 1.00 70.42 C ATOM 180 CD1 LEU A 15 9.000 -3.638 -11.824 1.00 22.22 C ATOM 181 CD2 LEU A 15 6.606 -3.146 -11.246 1.00 63.52 C ATOM 0 H LEU A 15 7.264 -1.171 -15.488 1.00 44.24 H new ATOM 0 HA LEU A 15 6.418 -0.977 -12.834 1.00 73.41 H new ATOM 0 HB2 LEU A 15 6.561 -3.044 -14.163 1.00 12.21 H new ATOM 0 HB3 LEU A 15 8.306 -2.906 -14.240 1.00 12.21 H new ATOM 0 HG LEU A 15 7.290 -4.620 -12.636 1.00 70.42 H new ATOM 0 HD11 LEU A 15 9.052 -4.271 -10.938 1.00 22.22 H new ATOM 0 HD12 LEU A 15 9.658 -4.038 -12.595 1.00 22.22 H new ATOM 0 HD13 LEU A 15 9.316 -2.627 -11.566 1.00 22.22 H new ATOM 0 HD21 LEU A 15 6.717 -3.789 -10.373 1.00 63.52 H new ATOM 0 HD22 LEU A 15 6.836 -2.117 -10.970 1.00 63.52 H new ATOM 0 HD23 LEU A 15 5.580 -3.203 -11.611 1.00 63.52 H new ATOM 193 N LEU A 16 9.671 -0.624 -13.226 1.00 50.05 N ATOM 194 CA LEU A 16 10.899 -0.196 -12.568 1.00 73.24 C ATOM 195 C LEU A 16 10.723 1.179 -11.927 1.00 31.23 C ATOM 196 O LEU A 16 10.970 1.353 -10.732 1.00 21.23 O ATOM 197 CB LEU A 16 12.049 -0.154 -13.578 1.00 31.13 C ATOM 198 CG LEU A 16 13.430 0.174 -12.991 1.00 42.04 C ATOM 199 CD1 LEU A 16 13.883 -0.918 -12.023 1.00 5.02 C ATOM 200 CD2 LEU A 16 14.452 0.371 -14.105 1.00 1.24 C ATOM 0 H LEU A 16 9.791 -0.891 -14.203 1.00 50.05 H new ATOM 0 HA LEU A 16 11.134 -0.915 -11.783 1.00 73.24 H new ATOM 0 HB2 LEU A 16 12.106 -1.121 -14.078 1.00 31.13 H new ATOM 0 HB3 LEU A 16 11.812 0.587 -14.342 1.00 31.13 H new ATOM 0 HG LEU A 16 13.351 1.106 -12.432 1.00 42.04 H new ATOM 0 HD11 LEU A 16 14.863 -0.663 -11.620 1.00 5.02 H new ATOM 0 HD12 LEU A 16 13.166 -1.001 -11.206 1.00 5.02 H new ATOM 0 HD13 LEU A 16 13.944 -1.870 -12.551 1.00 5.02 H new ATOM 0 HD21 LEU A 16 15.424 0.603 -13.670 1.00 1.24 H new ATOM 0 HD22 LEU A 16 14.527 -0.542 -14.696 1.00 1.24 H new ATOM 0 HD23 LEU A 16 14.137 1.194 -14.747 1.00 1.24 H new ATOM 212 N ALA A 17 10.279 2.143 -12.728 1.00 75.05 N ATOM 213 CA ALA A 17 10.097 3.514 -12.262 1.00 21.15 C ATOM 214 C ALA A 17 9.075 3.579 -11.127 1.00 24.55 C ATOM 215 O ALA A 17 9.342 4.147 -10.063 1.00 21.14 O ATOM 216 CB ALA A 17 9.666 4.410 -13.421 1.00 22.53 C ATOM 0 H ALA A 17 10.037 1.999 -13.708 1.00 75.05 H new ATOM 0 HA ALA A 17 11.051 3.872 -11.874 1.00 21.15 H new ATOM 0 HB1 ALA A 17 9.533 5.431 -13.062 1.00 22.53 H new ATOM 0 HB2 ALA A 17 10.432 4.395 -14.197 1.00 22.53 H new ATOM 0 HB3 ALA A 17 8.725 4.045 -13.833 1.00 22.53 H new ATOM 222 N ASP A 18 7.918 2.963 -11.355 1.00 54.23 N ATOM 223 CA ASP A 18 6.805 3.033 -10.407 1.00 64.14 C ATOM 224 C ASP A 18 7.196 2.427 -9.063 1.00 13.53 C ATOM 225 O ASP A 18 7.004 3.046 -8.015 1.00 75.32 O ATOM 226 CB ASP A 18 5.571 2.318 -10.970 1.00 12.52 C ATOM 227 CG ASP A 18 4.334 2.518 -10.102 1.00 13.43 C ATOM 228 OD1 ASP A 18 4.072 1.672 -9.224 1.00 54.14 O ATOM 229 OD2 ASP A 18 3.622 3.527 -10.308 1.00 64.13 O ATOM 0 H ASP A 18 7.725 2.408 -12.189 1.00 54.23 H new ATOM 0 HA ASP A 18 6.561 4.084 -10.253 1.00 64.14 H new ATOM 0 HB2 ASP A 18 5.369 2.687 -11.976 1.00 12.52 H new ATOM 0 HB3 ASP A 18 5.781 1.252 -11.058 1.00 12.52 H new ATOM 234 N VAL A 19 7.784 1.233 -9.098 1.00 54.12 N ATOM 235 CA VAL A 19 8.174 0.550 -7.873 1.00 51.13 C ATOM 236 C VAL A 19 9.338 1.282 -7.213 1.00 2.44 C ATOM 237 O VAL A 19 9.444 1.307 -5.994 1.00 12.41 O ATOM 238 CB VAL A 19 8.548 -0.941 -8.105 1.00 5.34 C ATOM 239 CG1 VAL A 19 9.899 -1.078 -8.802 1.00 41.50 C ATOM 240 CG2 VAL A 19 8.537 -1.709 -6.782 1.00 3.51 C ATOM 0 H VAL A 19 7.998 0.724 -9.956 1.00 54.12 H new ATOM 0 HA VAL A 19 7.306 0.562 -7.214 1.00 51.13 H new ATOM 0 HB VAL A 19 7.795 -1.375 -8.763 1.00 5.34 H new ATOM 0 HG11 VAL A 19 10.128 -2.134 -8.948 1.00 41.50 H new ATOM 0 HG12 VAL A 19 9.862 -0.578 -9.770 1.00 41.50 H new ATOM 0 HG13 VAL A 19 10.674 -0.620 -8.187 1.00 41.50 H new ATOM 0 HG21 VAL A 19 8.801 -2.751 -6.964 1.00 3.51 H new ATOM 0 HG22 VAL A 19 9.260 -1.265 -6.098 1.00 3.51 H new ATOM 0 HG23 VAL A 19 7.542 -1.659 -6.340 1.00 3.51 H new ATOM 250 N GLU A 20 10.206 1.887 -8.023 1.00 3.25 N ATOM 251 CA GLU A 20 11.337 2.652 -7.499 1.00 24.33 C ATOM 252 C GLU A 20 10.825 3.831 -6.671 1.00 24.03 C ATOM 253 O GLU A 20 11.362 4.138 -5.602 1.00 40.33 O ATOM 254 CB GLU A 20 12.234 3.142 -8.645 1.00 33.32 C ATOM 255 CG GLU A 20 13.543 3.782 -8.190 1.00 43.14 C ATOM 256 CD GLU A 20 14.411 2.847 -7.355 1.00 13.50 C ATOM 257 OE1 GLU A 20 14.791 1.766 -7.855 1.00 43.11 O ATOM 258 OE2 GLU A 20 14.732 3.193 -6.197 1.00 50.24 O ATOM 0 H GLU A 20 10.148 1.863 -9.041 1.00 3.25 H new ATOM 0 HA GLU A 20 11.935 2.005 -6.857 1.00 24.33 H new ATOM 0 HB2 GLU A 20 12.463 2.299 -9.297 1.00 33.32 H new ATOM 0 HB3 GLU A 20 11.678 3.865 -9.242 1.00 33.32 H new ATOM 0 HG2 GLU A 20 14.106 4.104 -9.066 1.00 43.14 H new ATOM 0 HG3 GLU A 20 13.320 4.676 -7.608 1.00 43.14 H new ATOM 265 N GLU A 21 9.774 4.482 -7.167 1.00 0.25 N ATOM 266 CA GLU A 21 9.119 5.552 -6.420 1.00 23.12 C ATOM 267 C GLU A 21 8.390 4.982 -5.205 1.00 72.13 C ATOM 268 O GLU A 21 8.482 5.527 -4.106 1.00 71.04 O ATOM 269 CB GLU A 21 8.137 6.325 -7.307 1.00 53.24 C ATOM 270 CG GLU A 21 8.812 7.157 -8.392 1.00 14.35 C ATOM 271 CD GLU A 21 7.857 8.145 -9.040 1.00 30.00 C ATOM 272 OE1 GLU A 21 7.263 8.967 -8.307 1.00 55.42 O ATOM 273 OE2 GLU A 21 7.711 8.126 -10.278 1.00 61.11 O ATOM 0 H GLU A 21 9.360 4.288 -8.079 1.00 0.25 H new ATOM 0 HA GLU A 21 9.889 6.244 -6.081 1.00 23.12 H new ATOM 0 HB2 GLU A 21 7.453 5.619 -7.777 1.00 53.24 H new ATOM 0 HB3 GLU A 21 7.535 6.982 -6.680 1.00 53.24 H new ATOM 0 HG2 GLU A 21 9.654 7.699 -7.960 1.00 14.35 H new ATOM 0 HG3 GLU A 21 9.218 6.493 -9.156 1.00 14.35 H new ATOM 280 N ALA A 22 7.684 3.873 -5.402 1.00 62.41 N ATOM 281 CA ALA A 22 6.960 3.217 -4.315 1.00 63.41 C ATOM 282 C ALA A 22 7.908 2.897 -3.159 1.00 42.43 C ATOM 283 O ALA A 22 7.609 3.179 -2.003 1.00 14.21 O ATOM 284 CB ALA A 22 6.280 1.948 -4.818 1.00 12.13 C ATOM 0 H ALA A 22 7.597 3.408 -6.306 1.00 62.41 H new ATOM 0 HA ALA A 22 6.191 3.898 -3.950 1.00 63.41 H new ATOM 0 HB1 ALA A 22 5.745 1.472 -3.996 1.00 12.13 H new ATOM 0 HB2 ALA A 22 5.576 2.202 -5.610 1.00 12.13 H new ATOM 0 HB3 ALA A 22 7.032 1.262 -5.207 1.00 12.13 H new ATOM 290 N MET A 23 9.074 2.357 -3.504 1.00 12.55 N ATOM 291 CA MET A 23 10.093 1.969 -2.524 1.00 34.12 C ATOM 292 C MET A 23 10.592 3.173 -1.722 1.00 52.45 C ATOM 293 O MET A 23 11.275 3.018 -0.719 1.00 3.22 O ATOM 294 CB MET A 23 11.272 1.282 -3.231 1.00 25.25 C ATOM 295 CG MET A 23 10.936 -0.086 -3.819 1.00 73.43 C ATOM 296 SD MET A 23 10.606 -1.329 -2.552 1.00 65.01 S ATOM 297 CE MET A 23 10.316 -2.784 -3.558 1.00 44.41 C ATOM 0 H MET A 23 9.342 2.175 -4.471 1.00 12.55 H new ATOM 0 HA MET A 23 9.633 1.270 -1.825 1.00 34.12 H new ATOM 0 HB2 MET A 23 11.630 1.931 -4.030 1.00 25.25 H new ATOM 0 HB3 MET A 23 12.091 1.169 -2.521 1.00 25.25 H new ATOM 0 HG2 MET A 23 10.064 0.006 -4.467 1.00 73.43 H new ATOM 0 HG3 MET A 23 11.764 -0.421 -4.444 1.00 73.43 H new ATOM 0 HE1 MET A 23 10.134 -3.643 -2.912 1.00 44.41 H new ATOM 0 HE2 MET A 23 9.447 -2.618 -4.195 1.00 44.41 H new ATOM 0 HE3 MET A 23 11.190 -2.977 -4.179 1.00 44.41 H new ATOM 307 N ARG A 24 10.266 4.369 -2.195 1.00 44.14 N ATOM 308 CA ARG A 24 10.616 5.613 -1.513 1.00 35.51 C ATOM 309 C ARG A 24 9.534 5.992 -0.499 1.00 12.04 C ATOM 310 O ARG A 24 9.826 6.563 0.550 1.00 33.44 O ATOM 311 CB ARG A 24 10.768 6.726 -2.558 1.00 2.03 C ATOM 312 CG ARG A 24 10.871 8.141 -1.990 1.00 1.45 C ATOM 313 CD ARG A 24 10.532 9.180 -3.054 1.00 63.45 C ATOM 314 NE ARG A 24 9.189 8.957 -3.606 1.00 4.05 N ATOM 315 CZ ARG A 24 8.833 9.204 -4.868 1.00 41.43 C ATOM 316 NH1 ARG A 24 9.713 9.685 -5.739 1.00 21.54 N ATOM 317 NH2 ARG A 24 7.593 8.943 -5.259 1.00 35.13 N ATOM 0 H ARG A 24 9.750 4.506 -3.064 1.00 44.14 H new ATOM 0 HA ARG A 24 11.555 5.478 -0.975 1.00 35.51 H new ATOM 0 HB2 ARG A 24 11.659 6.525 -3.153 1.00 2.03 H new ATOM 0 HB3 ARG A 24 9.916 6.685 -3.236 1.00 2.03 H new ATOM 0 HG2 ARG A 24 10.193 8.247 -1.143 1.00 1.45 H new ATOM 0 HG3 ARG A 24 11.880 8.314 -1.615 1.00 1.45 H new ATOM 0 HD2 ARG A 24 10.589 10.179 -2.622 1.00 63.45 H new ATOM 0 HD3 ARG A 24 11.269 9.137 -3.856 1.00 63.45 H new ATOM 0 HE ARG A 24 8.476 8.586 -2.978 1.00 4.05 H new ATOM 0 HH11 ARG A 24 10.672 9.869 -5.446 1.00 21.54 H new ATOM 0 HH12 ARG A 24 9.429 9.870 -6.701 1.00 21.54 H new ATOM 0 HH21 ARG A 24 6.920 8.557 -4.597 1.00 35.13 H new ATOM 0 HH22 ARG A 24 7.312 9.129 -6.222 1.00 35.13 H new ATOM 331 N ASP A 25 8.285 5.652 -0.818 1.00 42.42 N ATOM 332 CA ASP A 25 7.133 6.105 -0.033 1.00 33.53 C ATOM 333 C ASP A 25 6.627 5.025 0.926 1.00 71.04 C ATOM 334 O ASP A 25 6.053 5.339 1.969 1.00 23.41 O ATOM 335 CB ASP A 25 5.995 6.560 -0.967 1.00 74.41 C ATOM 336 CG ASP A 25 6.291 7.892 -1.651 1.00 33.12 C ATOM 337 OD1 ASP A 25 6.636 7.899 -2.858 1.00 34.31 O ATOM 338 OD2 ASP A 25 6.188 8.943 -0.982 1.00 65.01 O ATOM 0 H ASP A 25 8.043 5.064 -1.615 1.00 42.42 H new ATOM 0 HA ASP A 25 7.465 6.949 0.571 1.00 33.53 H new ATOM 0 HB2 ASP A 25 5.826 5.796 -1.726 1.00 74.41 H new ATOM 0 HB3 ASP A 25 5.073 6.648 -0.393 1.00 74.41 H new ATOM 343 N VAL A 26 6.849 3.756 0.585 1.00 43.25 N ATOM 344 CA VAL A 26 6.375 2.641 1.417 1.00 40.51 C ATOM 345 C VAL A 26 7.373 2.325 2.534 1.00 20.51 C ATOM 346 O VAL A 26 7.188 1.382 3.311 1.00 42.13 O ATOM 347 CB VAL A 26 6.114 1.363 0.577 1.00 24.44 C ATOM 348 CG1 VAL A 26 5.113 1.645 -0.543 1.00 33.20 C ATOM 349 CG2 VAL A 26 7.419 0.792 0.019 1.00 4.43 C ATOM 0 H VAL A 26 7.351 3.471 -0.256 1.00 43.25 H new ATOM 0 HA VAL A 26 5.431 2.959 1.859 1.00 40.51 H new ATOM 0 HB VAL A 26 5.680 0.611 1.236 1.00 24.44 H new ATOM 0 HG11 VAL A 26 4.945 0.735 -1.119 1.00 33.20 H new ATOM 0 HG12 VAL A 26 4.170 1.981 -0.112 1.00 33.20 H new ATOM 0 HG13 VAL A 26 5.509 2.421 -1.198 1.00 33.20 H new ATOM 0 HG21 VAL A 26 7.204 -0.103 -0.565 1.00 4.43 H new ATOM 0 HG22 VAL A 26 7.898 1.535 -0.619 1.00 4.43 H new ATOM 0 HG23 VAL A 26 8.086 0.536 0.842 1.00 4.43 H new ATOM 359 N VAL A 27 8.432 3.121 2.605 1.00 13.51 N ATOM 360 CA VAL A 27 9.461 2.973 3.624 1.00 22.12 C ATOM 361 C VAL A 27 9.638 4.297 4.354 1.00 62.31 C ATOM 362 O VAL A 27 9.270 5.349 3.828 1.00 61.55 O ATOM 363 CB VAL A 27 10.816 2.549 2.992 1.00 53.32 C ATOM 364 CG1 VAL A 27 11.399 3.675 2.137 1.00 63.31 C ATOM 365 CG2 VAL A 27 11.814 2.110 4.063 1.00 44.02 C ATOM 0 H VAL A 27 8.601 3.889 1.956 1.00 13.51 H new ATOM 0 HA VAL A 27 9.148 2.196 4.321 1.00 22.12 H new ATOM 0 HB VAL A 27 10.624 1.695 2.343 1.00 53.32 H new ATOM 0 HG11 VAL A 27 12.347 3.352 1.707 1.00 63.31 H new ATOM 0 HG12 VAL A 27 10.702 3.922 1.336 1.00 63.31 H new ATOM 0 HG13 VAL A 27 11.564 4.555 2.758 1.00 63.31 H new ATOM 0 HG21 VAL A 27 12.752 1.820 3.589 1.00 44.02 H new ATOM 0 HG22 VAL A 27 11.996 2.935 4.751 1.00 44.02 H new ATOM 0 HG23 VAL A 27 11.407 1.261 4.613 1.00 44.02 H new ATOM 375 N ASP A 28 10.183 4.251 5.560 1.00 65.33 N ATOM 376 CA ASP A 28 10.542 5.466 6.278 1.00 64.31 C ATOM 377 C ASP A 28 12.047 5.684 6.150 1.00 71.23 C ATOM 378 O ASP A 28 12.833 5.096 6.901 1.00 5.22 O ATOM 379 CB ASP A 28 10.139 5.376 7.756 1.00 42.03 C ATOM 380 CG ASP A 28 10.415 6.670 8.515 1.00 10.44 C ATOM 381 OD1 ASP A 28 11.594 6.953 8.810 1.00 42.51 O ATOM 382 OD2 ASP A 28 9.453 7.407 8.820 1.00 3.04 O ATOM 0 H ASP A 28 10.387 3.387 6.062 1.00 65.33 H new ATOM 0 HA ASP A 28 10.006 6.310 5.844 1.00 64.31 H new ATOM 0 HB2 ASP A 28 9.078 5.136 7.826 1.00 42.03 H new ATOM 0 HB3 ASP A 28 10.683 4.558 8.229 1.00 42.03 H new ATOM 387 N PRO A 29 12.474 6.501 5.172 1.00 74.41 N ATOM 388 CA PRO A 29 13.891 6.746 4.912 1.00 42.33 C ATOM 389 C PRO A 29 14.463 7.822 5.835 1.00 31.22 C ATOM 390 O PRO A 29 15.668 8.082 5.833 1.00 24.13 O ATOM 391 CB PRO A 29 13.877 7.197 3.446 1.00 33.50 C ATOM 392 CG PRO A 29 12.583 7.927 3.297 1.00 60.23 C ATOM 393 CD PRO A 29 11.607 7.254 4.234 1.00 30.34 C ATOM 0 HA PRO A 29 14.524 5.877 5.094 1.00 42.33 H new ATOM 0 HB2 PRO A 29 14.726 7.842 3.220 1.00 33.50 H new ATOM 0 HB3 PRO A 29 13.934 6.346 2.767 1.00 33.50 H new ATOM 0 HG2 PRO A 29 12.700 8.981 3.549 1.00 60.23 H new ATOM 0 HG3 PRO A 29 12.228 7.883 2.268 1.00 60.23 H new ATOM 0 HD2 PRO A 29 10.989 7.983 4.759 1.00 30.34 H new ATOM 0 HD3 PRO A 29 10.930 6.591 3.696 1.00 30.34 H new ATOM 401 N GLU A 30 13.581 8.443 6.618 1.00 63.34 N ATOM 402 CA GLU A 30 13.972 9.480 7.565 1.00 61.21 C ATOM 403 C GLU A 30 14.788 8.872 8.711 1.00 12.45 C ATOM 404 O GLU A 30 15.931 9.269 8.953 1.00 21.53 O ATOM 405 CB GLU A 30 12.720 10.198 8.093 1.00 2.31 C ATOM 406 CG GLU A 30 13.010 11.374 9.021 1.00 14.10 C ATOM 407 CD GLU A 30 13.859 12.455 8.371 1.00 62.00 C ATOM 408 OE1 GLU A 30 14.865 12.872 8.981 1.00 1.43 O ATOM 409 OE2 GLU A 30 13.533 12.889 7.247 1.00 2.43 O ATOM 0 H GLU A 30 12.581 8.241 6.612 1.00 63.34 H new ATOM 0 HA GLU A 30 14.601 10.213 7.060 1.00 61.21 H new ATOM 0 HB2 GLU A 30 12.137 10.556 7.245 1.00 2.31 H new ATOM 0 HB3 GLU A 30 12.100 9.476 8.624 1.00 2.31 H new ATOM 0 HG2 GLU A 30 12.067 11.810 9.349 1.00 14.10 H new ATOM 0 HG3 GLU A 30 13.519 11.008 9.912 1.00 14.10 H new ATOM 416 N LEU A 31 14.195 7.902 9.408 1.00 64.43 N ATOM 417 CA LEU A 31 14.887 7.178 10.477 1.00 35.11 C ATOM 418 C LEU A 31 15.500 5.893 9.924 1.00 43.23 C ATOM 419 O LEU A 31 16.394 5.299 10.538 1.00 11.54 O ATOM 420 CB LEU A 31 13.929 6.845 11.641 1.00 72.33 C ATOM 421 CG LEU A 31 13.388 8.041 12.450 1.00 4.12 C ATOM 422 CD1 LEU A 31 14.527 8.928 12.946 1.00 15.13 C ATOM 423 CD2 LEU A 31 12.376 8.850 11.636 1.00 30.44 C ATOM 0 H LEU A 31 13.234 7.598 9.251 1.00 64.43 H new ATOM 0 HA LEU A 31 15.678 7.821 10.863 1.00 35.11 H new ATOM 0 HB2 LEU A 31 13.080 6.294 11.237 1.00 72.33 H new ATOM 0 HB3 LEU A 31 14.446 6.175 12.327 1.00 72.33 H new ATOM 0 HG LEU A 31 12.869 7.643 13.322 1.00 4.12 H new ATOM 0 HD11 LEU A 31 14.117 9.764 13.513 1.00 15.13 H new ATOM 0 HD12 LEU A 31 15.190 8.345 13.586 1.00 15.13 H new ATOM 0 HD13 LEU A 31 15.089 9.309 12.093 1.00 15.13 H new ATOM 0 HD21 LEU A 31 12.013 9.686 12.234 1.00 30.44 H new ATOM 0 HD22 LEU A 31 12.855 9.230 10.734 1.00 30.44 H new ATOM 0 HD23 LEU A 31 11.537 8.211 11.359 1.00 30.44 H new ATOM 435 N GLY A 32 15.001 5.468 8.763 1.00 13.21 N ATOM 436 CA GLY A 32 15.577 4.332 8.063 1.00 41.14 C ATOM 437 C GLY A 32 14.991 3.000 8.493 1.00 54.21 C ATOM 438 O GLY A 32 15.732 2.055 8.771 1.00 1.12 O ATOM 0 H GLY A 32 14.202 5.895 8.293 1.00 13.21 H new ATOM 0 HA2 GLY A 32 15.424 4.459 6.991 1.00 41.14 H new ATOM 0 HA3 GLY A 32 16.654 4.318 8.232 1.00 41.14 H new ATOM 442 N ILE A 33 13.662 2.907 8.540 1.00 22.11 N ATOM 443 CA ILE A 33 12.990 1.651 8.889 1.00 22.20 C ATOM 444 C ILE A 33 11.946 1.292 7.834 1.00 42.12 C ATOM 445 O ILE A 33 11.299 2.170 7.257 1.00 72.42 O ATOM 446 CB ILE A 33 12.323 1.674 10.296 1.00 35.44 C ATOM 447 CG1 ILE A 33 11.274 2.801 10.424 1.00 64.30 C ATOM 448 CG2 ILE A 33 13.381 1.796 11.393 1.00 63.24 C ATOM 449 CD1 ILE A 33 11.859 4.180 10.659 1.00 53.50 C ATOM 0 H ILE A 33 13.030 3.682 8.342 1.00 22.11 H new ATOM 0 HA ILE A 33 13.771 0.891 8.919 1.00 22.20 H new ATOM 0 HB ILE A 33 11.797 0.727 10.419 1.00 35.44 H new ATOM 0 HG12 ILE A 33 10.672 2.825 9.515 1.00 64.30 H new ATOM 0 HG13 ILE A 33 10.600 2.561 11.246 1.00 64.30 H new ATOM 0 HG21 ILE A 33 12.894 1.810 12.368 1.00 63.24 H new ATOM 0 HG22 ILE A 33 14.061 0.946 11.339 1.00 63.24 H new ATOM 0 HG23 ILE A 33 13.944 2.719 11.255 1.00 63.24 H new ATOM 0 HD11 ILE A 33 11.052 4.909 10.736 1.00 53.50 H new ATOM 0 HD12 ILE A 33 12.436 4.178 11.584 1.00 53.50 H new ATOM 0 HD13 ILE A 33 12.510 4.446 9.826 1.00 53.50 H new ATOM 461 N ASN A 34 11.789 -0.003 7.587 1.00 35.33 N ATOM 462 CA ASN A 34 10.923 -0.494 6.519 1.00 0.44 C ATOM 463 C ASN A 34 9.707 -1.242 7.072 1.00 62.14 C ATOM 464 O ASN A 34 9.818 -2.366 7.556 1.00 23.25 O ATOM 465 CB ASN A 34 11.728 -1.398 5.570 1.00 63.21 C ATOM 466 CG ASN A 34 12.408 -2.570 6.271 1.00 5.35 C ATOM 467 OD1 ASN A 34 12.747 -2.498 7.457 1.00 74.32 O ATOM 468 ND2 ASN A 34 12.632 -3.651 5.540 1.00 11.21 N ATOM 0 H ASN A 34 12.255 -0.739 8.117 1.00 35.33 H new ATOM 0 HA ASN A 34 10.548 0.367 5.966 1.00 0.44 H new ATOM 0 HB2 ASN A 34 11.062 -1.784 4.798 1.00 63.21 H new ATOM 0 HB3 ASN A 34 12.486 -0.798 5.066 1.00 63.21 H new ATOM 0 HD21 ASN A 34 13.098 -4.459 5.953 1.00 11.21 H new ATOM 0 HD22 ASN A 34 12.339 -3.676 4.563 1.00 11.21 H new ATOM 475 N VAL A 35 8.541 -0.604 6.979 1.00 75.21 N ATOM 476 CA VAL A 35 7.284 -1.192 7.452 1.00 43.32 C ATOM 477 C VAL A 35 7.027 -2.546 6.779 1.00 14.12 C ATOM 478 O VAL A 35 6.439 -3.454 7.373 1.00 3.12 O ATOM 479 CB VAL A 35 6.087 -0.243 7.178 1.00 4.35 C ATOM 480 CG1 VAL A 35 4.785 -0.828 7.724 1.00 63.24 C ATOM 481 CG2 VAL A 35 6.350 1.142 7.772 1.00 23.43 C ATOM 0 H VAL A 35 8.439 0.328 6.577 1.00 75.21 H new ATOM 0 HA VAL A 35 7.377 -1.341 8.528 1.00 43.32 H new ATOM 0 HB VAL A 35 5.980 -0.139 6.098 1.00 4.35 H new ATOM 0 HG11 VAL A 35 3.963 -0.142 7.518 1.00 63.24 H new ATOM 0 HG12 VAL A 35 4.587 -1.786 7.244 1.00 63.24 H new ATOM 0 HG13 VAL A 35 4.875 -0.974 8.800 1.00 63.24 H new ATOM 0 HG21 VAL A 35 5.499 1.792 7.569 1.00 23.43 H new ATOM 0 HG22 VAL A 35 6.492 1.055 8.849 1.00 23.43 H new ATOM 0 HG23 VAL A 35 7.247 1.567 7.321 1.00 23.43 H new ATOM 491 N VAL A 36 7.500 -2.679 5.541 1.00 74.34 N ATOM 492 CA VAL A 36 7.320 -3.903 4.762 1.00 12.41 C ATOM 493 C VAL A 36 7.864 -5.128 5.510 1.00 45.04 C ATOM 494 O VAL A 36 7.398 -6.248 5.297 1.00 44.53 O ATOM 495 CB VAL A 36 8.006 -3.788 3.373 1.00 54.31 C ATOM 496 CG1 VAL A 36 9.516 -3.598 3.521 1.00 4.31 C ATOM 497 CG2 VAL A 36 7.685 -5.001 2.499 1.00 30.12 C ATOM 0 H VAL A 36 8.015 -1.947 5.052 1.00 74.34 H new ATOM 0 HA VAL A 36 6.248 -4.035 4.615 1.00 12.41 H new ATOM 0 HB VAL A 36 7.607 -2.905 2.874 1.00 54.31 H new ATOM 0 HG11 VAL A 36 9.971 -3.520 2.534 1.00 4.31 H new ATOM 0 HG12 VAL A 36 9.714 -2.687 4.085 1.00 4.31 H new ATOM 0 HG13 VAL A 36 9.940 -4.451 4.050 1.00 4.31 H new ATOM 0 HG21 VAL A 36 8.178 -4.894 1.533 1.00 30.12 H new ATOM 0 HG22 VAL A 36 8.041 -5.907 2.989 1.00 30.12 H new ATOM 0 HG23 VAL A 36 6.607 -5.068 2.351 1.00 30.12 H new ATOM 507 N ASP A 37 8.822 -4.900 6.413 1.00 54.32 N ATOM 508 CA ASP A 37 9.465 -5.989 7.156 1.00 41.23 C ATOM 509 C ASP A 37 8.457 -6.750 8.020 1.00 41.25 C ATOM 510 O ASP A 37 8.682 -7.909 8.371 1.00 32.30 O ATOM 511 CB ASP A 37 10.603 -5.447 8.032 1.00 33.24 C ATOM 512 CG ASP A 37 11.307 -6.544 8.823 1.00 25.25 C ATOM 513 OD1 ASP A 37 11.145 -6.592 10.061 1.00 21.40 O ATOM 514 OD2 ASP A 37 12.029 -7.363 8.208 1.00 4.10 O ATOM 0 H ASP A 37 9.170 -3.970 6.648 1.00 54.32 H new ATOM 0 HA ASP A 37 9.878 -6.684 6.425 1.00 41.23 H new ATOM 0 HB2 ASP A 37 11.330 -4.935 7.401 1.00 33.24 H new ATOM 0 HB3 ASP A 37 10.203 -4.705 8.723 1.00 33.24 H new ATOM 519 N LEU A 38 7.339 -6.101 8.350 1.00 75.22 N ATOM 520 CA LEU A 38 6.278 -6.739 9.136 1.00 52.21 C ATOM 521 C LEU A 38 5.712 -7.947 8.386 1.00 25.50 C ATOM 522 O LEU A 38 5.133 -8.855 8.986 1.00 44.50 O ATOM 523 CB LEU A 38 5.157 -5.737 9.447 1.00 35.33 C ATOM 524 CG LEU A 38 5.584 -4.504 10.260 1.00 55.21 C ATOM 525 CD1 LEU A 38 4.405 -3.559 10.472 1.00 2.33 C ATOM 526 CD2 LEU A 38 6.187 -4.919 11.599 1.00 1.22 C ATOM 0 H LEU A 38 7.144 -5.135 8.086 1.00 75.22 H new ATOM 0 HA LEU A 38 6.708 -7.080 10.078 1.00 52.21 H new ATOM 0 HB2 LEU A 38 4.723 -5.399 8.506 1.00 35.33 H new ATOM 0 HB3 LEU A 38 4.369 -6.256 9.993 1.00 35.33 H new ATOM 0 HG LEU A 38 6.348 -3.974 9.691 1.00 55.21 H new ATOM 0 HD11 LEU A 38 4.731 -2.694 11.050 1.00 2.33 H new ATOM 0 HD12 LEU A 38 4.026 -3.228 9.505 1.00 2.33 H new ATOM 0 HD13 LEU A 38 3.614 -4.079 11.013 1.00 2.33 H new ATOM 0 HD21 LEU A 38 6.482 -4.030 12.157 1.00 1.22 H new ATOM 0 HD22 LEU A 38 5.448 -5.479 12.173 1.00 1.22 H new ATOM 0 HD23 LEU A 38 7.062 -5.545 11.425 1.00 1.22 H new ATOM 538 N GLY A 39 5.878 -7.928 7.064 1.00 65.54 N ATOM 539 CA GLY A 39 5.484 -9.041 6.214 1.00 4.52 C ATOM 540 C GLY A 39 4.001 -9.358 6.257 1.00 1.55 C ATOM 541 O GLY A 39 3.597 -10.473 5.931 1.00 23.25 O ATOM 0 H GLY A 39 6.288 -7.143 6.558 1.00 65.54 H new ATOM 0 HA2 GLY A 39 5.767 -8.817 5.186 1.00 4.52 H new ATOM 0 HA3 GLY A 39 6.043 -9.928 6.512 1.00 4.52 H new ATOM 545 N LEU A 40 3.180 -8.386 6.642 1.00 21.21 N ATOM 546 CA LEU A 40 1.729 -8.549 6.564 1.00 24.14 C ATOM 547 C LEU A 40 1.207 -7.905 5.287 1.00 55.34 C ATOM 548 O LEU A 40 0.261 -8.392 4.671 1.00 24.31 O ATOM 549 CB LEU A 40 1.037 -7.936 7.790 1.00 44.05 C ATOM 550 CG LEU A 40 -0.498 -8.074 7.816 1.00 32.30 C ATOM 551 CD1 LEU A 40 -0.920 -9.541 7.796 1.00 33.32 C ATOM 552 CD2 LEU A 40 -1.082 -7.368 9.034 1.00 42.44 C ATOM 0 H LEU A 40 3.488 -7.485 7.008 1.00 21.21 H new ATOM 0 HA LEU A 40 1.502 -9.615 6.549 1.00 24.14 H new ATOM 0 HB2 LEU A 40 1.443 -8.403 8.687 1.00 44.05 H new ATOM 0 HB3 LEU A 40 1.291 -6.877 7.839 1.00 44.05 H new ATOM 0 HG LEU A 40 -0.891 -7.597 6.918 1.00 32.30 H new ATOM 0 HD11 LEU A 40 -2.008 -9.607 7.815 1.00 33.32 H new ATOM 0 HD12 LEU A 40 -0.543 -10.016 6.890 1.00 33.32 H new ATOM 0 HD13 LEU A 40 -0.510 -10.049 8.669 1.00 33.32 H new ATOM 0 HD21 LEU A 40 -2.166 -7.478 9.033 1.00 42.44 H new ATOM 0 HD22 LEU A 40 -0.673 -7.811 9.942 1.00 42.44 H new ATOM 0 HD23 LEU A 40 -0.824 -6.309 8.999 1.00 42.44 H new ATOM 564 N VAL A 41 1.882 -6.832 4.867 1.00 63.43 N ATOM 565 CA VAL A 41 1.536 -6.119 3.636 1.00 63.34 C ATOM 566 C VAL A 41 1.733 -7.031 2.422 1.00 1.22 C ATOM 567 O VAL A 41 1.247 -6.757 1.324 1.00 42.55 O ATOM 568 CB VAL A 41 2.396 -4.834 3.481 1.00 31.20 C ATOM 569 CG1 VAL A 41 3.882 -5.177 3.369 1.00 22.32 C ATOM 570 CG2 VAL A 41 1.937 -4.001 2.284 1.00 11.42 C ATOM 0 H VAL A 41 2.678 -6.436 5.367 1.00 63.43 H new ATOM 0 HA VAL A 41 0.487 -5.827 3.695 1.00 63.34 H new ATOM 0 HB VAL A 41 2.256 -4.233 4.379 1.00 31.20 H new ATOM 0 HG11 VAL A 41 4.460 -4.259 3.261 1.00 22.32 H new ATOM 0 HG12 VAL A 41 4.202 -5.705 4.267 1.00 22.32 H new ATOM 0 HG13 VAL A 41 4.044 -5.812 2.498 1.00 22.32 H new ATOM 0 HG21 VAL A 41 2.558 -3.109 2.202 1.00 11.42 H new ATOM 0 HG22 VAL A 41 2.029 -4.592 1.373 1.00 11.42 H new ATOM 0 HG23 VAL A 41 0.896 -3.707 2.423 1.00 11.42 H new ATOM 580 N TYR A 42 2.447 -8.129 2.650 1.00 45.14 N ATOM 581 CA TYR A 42 2.699 -9.134 1.627 1.00 71.40 C ATOM 582 C TYR A 42 1.389 -9.823 1.224 1.00 64.32 C ATOM 583 O TYR A 42 1.302 -10.456 0.169 1.00 50.21 O ATOM 584 CB TYR A 42 3.710 -10.159 2.166 1.00 63.42 C ATOM 585 CG TYR A 42 4.210 -11.153 1.137 1.00 53.03 C ATOM 586 CD1 TYR A 42 3.781 -12.476 1.148 1.00 22.14 C ATOM 587 CD2 TYR A 42 5.120 -10.766 0.158 1.00 24.20 C ATOM 588 CE1 TYR A 42 4.246 -13.383 0.217 1.00 43.21 C ATOM 589 CE2 TYR A 42 5.586 -11.668 -0.774 1.00 23.22 C ATOM 590 CZ TYR A 42 5.148 -12.974 -0.743 1.00 43.00 C ATOM 591 OH TYR A 42 5.616 -13.873 -1.673 1.00 31.23 O ATOM 0 H TYR A 42 2.868 -8.346 3.553 1.00 45.14 H new ATOM 0 HA TYR A 42 3.114 -8.656 0.739 1.00 71.40 H new ATOM 0 HB2 TYR A 42 4.565 -9.624 2.580 1.00 63.42 H new ATOM 0 HB3 TYR A 42 3.249 -10.707 2.987 1.00 63.42 H new ATOM 0 HD1 TYR A 42 3.073 -12.799 1.897 1.00 22.14 H new ATOM 0 HD2 TYR A 42 5.466 -9.743 0.128 1.00 24.20 H new ATOM 0 HE1 TYR A 42 3.905 -14.408 0.240 1.00 43.21 H new ATOM 0 HE2 TYR A 42 6.293 -11.352 -1.527 1.00 23.22 H new ATOM 0 HH TYR A 42 6.243 -13.422 -2.277 1.00 31.23 H new ATOM 601 N GLY A 43 0.370 -9.687 2.075 1.00 13.23 N ATOM 602 CA GLY A 43 -0.935 -10.260 1.796 1.00 0.43 C ATOM 603 C GLY A 43 -1.737 -9.405 0.833 1.00 64.22 C ATOM 604 O GLY A 43 -2.796 -8.879 1.185 1.00 31.53 O ATOM 0 H GLY A 43 0.430 -9.184 2.961 1.00 13.23 H new ATOM 0 HA2 GLY A 43 -0.810 -11.258 1.377 1.00 0.43 H new ATOM 0 HA3 GLY A 43 -1.488 -10.372 2.728 1.00 0.43 H new ATOM 608 N LEU A 44 -1.220 -9.249 -0.382 1.00 45.22 N ATOM 609 CA LEU A 44 -1.892 -8.471 -1.417 1.00 23.11 C ATOM 610 C LEU A 44 -2.599 -9.393 -2.414 1.00 2.22 C ATOM 611 O LEU A 44 -2.158 -10.521 -2.648 1.00 51.34 O ATOM 612 CB LEU A 44 -0.885 -7.533 -2.120 1.00 1.10 C ATOM 613 CG LEU A 44 0.486 -8.145 -2.498 1.00 4.33 C ATOM 614 CD1 LEU A 44 0.372 -9.101 -3.684 1.00 44.04 C ATOM 615 CD2 LEU A 44 1.505 -7.041 -2.789 1.00 34.45 C ATOM 0 H LEU A 44 -0.331 -9.655 -0.675 1.00 45.22 H new ATOM 0 HA LEU A 44 -2.657 -7.850 -0.951 1.00 23.11 H new ATOM 0 HB2 LEU A 44 -1.351 -7.153 -3.029 1.00 1.10 H new ATOM 0 HB3 LEU A 44 -0.708 -6.676 -1.471 1.00 1.10 H new ATOM 0 HG LEU A 44 0.834 -8.726 -1.644 1.00 4.33 H new ATOM 0 HD11 LEU A 44 1.355 -9.509 -3.918 1.00 44.04 H new ATOM 0 HD12 LEU A 44 -0.308 -9.915 -3.431 1.00 44.04 H new ATOM 0 HD13 LEU A 44 -0.013 -8.562 -4.550 1.00 44.04 H new ATOM 0 HD21 LEU A 44 2.463 -7.490 -3.053 1.00 34.45 H new ATOM 0 HD22 LEU A 44 1.151 -6.428 -3.618 1.00 34.45 H new ATOM 0 HD23 LEU A 44 1.628 -6.417 -1.904 1.00 34.45 H new ATOM 627 N ASP A 45 -3.707 -8.920 -2.972 1.00 73.43 N ATOM 628 CA ASP A 45 -4.491 -9.692 -3.931 1.00 53.13 C ATOM 629 C ASP A 45 -5.401 -8.765 -4.725 1.00 2.31 C ATOM 630 O ASP A 45 -6.340 -8.187 -4.182 1.00 42.01 O ATOM 631 CB ASP A 45 -5.320 -10.764 -3.204 1.00 30.43 C ATOM 632 CG ASP A 45 -6.235 -11.557 -4.132 1.00 32.33 C ATOM 633 OD1 ASP A 45 -7.398 -11.814 -3.752 1.00 32.30 O ATOM 634 OD2 ASP A 45 -5.790 -11.941 -5.236 1.00 43.21 O ATOM 0 H ASP A 45 -4.087 -7.994 -2.774 1.00 73.43 H new ATOM 0 HA ASP A 45 -3.811 -10.192 -4.621 1.00 53.13 H new ATOM 0 HB2 ASP A 45 -4.644 -11.453 -2.697 1.00 30.43 H new ATOM 0 HB3 ASP A 45 -5.924 -10.285 -2.433 1.00 30.43 H new ATOM 639 N VAL A 46 -5.105 -8.604 -6.007 1.00 34.30 N ATOM 640 CA VAL A 46 -5.895 -7.737 -6.871 1.00 61.11 C ATOM 641 C VAL A 46 -6.994 -8.542 -7.569 1.00 44.11 C ATOM 642 O VAL A 46 -6.718 -9.517 -8.276 1.00 2.43 O ATOM 643 CB VAL A 46 -5.004 -7.002 -7.913 1.00 31.21 C ATOM 644 CG1 VAL A 46 -4.154 -7.985 -8.710 1.00 53.33 C ATOM 645 CG2 VAL A 46 -5.852 -6.142 -8.847 1.00 51.34 C ATOM 0 H VAL A 46 -4.322 -9.063 -6.473 1.00 34.30 H new ATOM 0 HA VAL A 46 -6.361 -6.976 -6.246 1.00 61.11 H new ATOM 0 HB VAL A 46 -4.329 -6.346 -7.363 1.00 31.21 H new ATOM 0 HG11 VAL A 46 -3.544 -7.439 -9.429 1.00 53.33 H new ATOM 0 HG12 VAL A 46 -3.506 -8.539 -8.031 1.00 53.33 H new ATOM 0 HG13 VAL A 46 -4.804 -8.681 -9.241 1.00 53.33 H new ATOM 0 HG21 VAL A 46 -5.205 -5.639 -9.566 1.00 51.34 H new ATOM 0 HG22 VAL A 46 -6.563 -6.775 -9.379 1.00 51.34 H new ATOM 0 HG23 VAL A 46 -6.394 -5.398 -8.264 1.00 51.34 H new ATOM 655 N GLN A 47 -8.238 -8.142 -7.341 1.00 3.33 N ATOM 656 CA GLN A 47 -9.394 -8.826 -7.901 1.00 30.10 C ATOM 657 C GLN A 47 -10.046 -7.971 -8.984 1.00 0.34 C ATOM 658 O GLN A 47 -10.337 -6.787 -8.775 1.00 41.44 O ATOM 659 CB GLN A 47 -10.397 -9.160 -6.786 1.00 30.03 C ATOM 660 CG GLN A 47 -9.901 -10.244 -5.832 1.00 44.04 C ATOM 661 CD GLN A 47 -10.826 -10.474 -4.647 1.00 63.53 C ATOM 662 OE1 GLN A 47 -12.038 -10.254 -4.726 1.00 71.01 O ATOM 663 NE2 GLN A 47 -10.262 -10.937 -3.540 1.00 33.31 N ATOM 0 H GLN A 47 -8.473 -7.335 -6.763 1.00 3.33 H new ATOM 0 HA GLN A 47 -9.066 -9.758 -8.361 1.00 30.10 H new ATOM 0 HB2 GLN A 47 -10.612 -8.255 -6.217 1.00 30.03 H new ATOM 0 HB3 GLN A 47 -11.336 -9.484 -7.236 1.00 30.03 H new ATOM 0 HG2 GLN A 47 -9.788 -11.178 -6.382 1.00 44.04 H new ATOM 0 HG3 GLN A 47 -8.912 -9.969 -5.464 1.00 44.04 H new ATOM 0 HE21 GLN A 47 -9.257 -11.107 -3.512 1.00 33.31 H new ATOM 0 HE22 GLN A 47 -10.834 -11.123 -2.716 1.00 33.31 H new ATOM 672 N ASP A 48 -10.244 -8.573 -10.151 1.00 20.31 N ATOM 673 CA ASP A 48 -10.852 -7.886 -11.285 1.00 24.45 C ATOM 674 C ASP A 48 -12.369 -7.909 -11.168 1.00 10.21 C ATOM 675 O ASP A 48 -12.954 -8.928 -10.781 1.00 3.51 O ATOM 676 CB ASP A 48 -10.436 -8.544 -12.610 1.00 62.11 C ATOM 677 CG ASP A 48 -8.948 -8.422 -12.898 1.00 12.24 C ATOM 678 OD1 ASP A 48 -8.193 -9.369 -12.577 1.00 2.14 O ATOM 679 OD2 ASP A 48 -8.532 -7.387 -13.460 1.00 75.23 O ATOM 0 H ASP A 48 -9.990 -9.543 -10.338 1.00 20.31 H new ATOM 0 HA ASP A 48 -10.503 -6.854 -11.276 1.00 24.45 H new ATOM 0 HB2 ASP A 48 -10.710 -9.599 -12.586 1.00 62.11 H new ATOM 0 HB3 ASP A 48 -10.996 -8.088 -13.426 1.00 62.11 H new ATOM 684 N GLY A 49 -12.996 -6.786 -11.493 1.00 60.24 N ATOM 685 CA GLY A 49 -14.441 -6.698 -11.509 1.00 33.42 C ATOM 686 C GLY A 49 -14.921 -5.956 -12.736 1.00 34.50 C ATOM 687 O GLY A 49 -14.184 -5.131 -13.288 1.00 1.33 O ATOM 0 H GLY A 49 -12.519 -5.922 -11.750 1.00 60.24 H new ATOM 0 HA2 GLY A 49 -14.871 -7.700 -11.493 1.00 33.42 H new ATOM 0 HA3 GLY A 49 -14.789 -6.188 -10.611 1.00 33.42 H new ATOM 691 N ASP A 50 -16.145 -6.242 -13.165 1.00 42.00 N ATOM 692 CA ASP A 50 -16.719 -5.605 -14.352 1.00 1.01 C ATOM 693 C ASP A 50 -16.749 -4.094 -14.190 1.00 53.44 C ATOM 694 O ASP A 50 -16.526 -3.349 -15.144 1.00 5.55 O ATOM 695 CB ASP A 50 -18.140 -6.118 -14.613 1.00 33.55 C ATOM 696 CG ASP A 50 -18.180 -7.583 -15.010 1.00 61.44 C ATOM 697 OD1 ASP A 50 -18.350 -8.444 -14.118 1.00 72.22 O ATOM 698 OD2 ASP A 50 -18.059 -7.879 -16.216 1.00 52.04 O ATOM 0 H ASP A 50 -16.763 -6.913 -12.709 1.00 42.00 H new ATOM 0 HA ASP A 50 -16.087 -5.861 -15.203 1.00 1.01 H new ATOM 0 HB2 ASP A 50 -18.742 -5.974 -13.716 1.00 33.55 H new ATOM 0 HB3 ASP A 50 -18.596 -5.521 -15.403 1.00 33.55 H new ATOM 703 N GLU A 51 -17.021 -3.651 -12.968 1.00 3.42 N ATOM 704 CA GLU A 51 -17.106 -2.226 -12.669 1.00 21.14 C ATOM 705 C GLU A 51 -15.704 -1.624 -12.534 1.00 71.14 C ATOM 706 O GLU A 51 -15.508 -0.428 -12.755 1.00 71.14 O ATOM 707 CB GLU A 51 -17.918 -2.001 -11.385 1.00 12.04 C ATOM 708 CG GLU A 51 -19.258 -2.739 -11.361 1.00 52.20 C ATOM 709 CD GLU A 51 -20.105 -2.486 -12.602 1.00 64.21 C ATOM 710 OE1 GLU A 51 -20.744 -1.415 -12.693 1.00 14.33 O ATOM 711 OE2 GLU A 51 -20.134 -3.357 -13.500 1.00 42.43 O ATOM 0 H GLU A 51 -17.187 -4.260 -12.166 1.00 3.42 H new ATOM 0 HA GLU A 51 -17.615 -1.725 -13.492 1.00 21.14 H new ATOM 0 HB2 GLU A 51 -17.323 -2.321 -10.530 1.00 12.04 H new ATOM 0 HB3 GLU A 51 -18.100 -0.933 -11.265 1.00 12.04 H new ATOM 0 HG2 GLU A 51 -19.074 -3.809 -11.266 1.00 52.20 H new ATOM 0 HG3 GLU A 51 -19.818 -2.432 -10.478 1.00 52.20 H new ATOM 718 N GLY A 52 -14.728 -2.465 -12.196 1.00 3.41 N ATOM 719 CA GLY A 52 -13.359 -2.003 -12.028 1.00 45.03 C ATOM 720 C GLY A 52 -12.465 -3.052 -11.389 1.00 61.02 C ATOM 721 O GLY A 52 -12.951 -3.977 -10.735 1.00 44.11 O ATOM 0 H GLY A 52 -14.862 -3.463 -12.035 1.00 3.41 H new ATOM 0 HA2 GLY A 52 -12.951 -1.726 -13.000 1.00 45.03 H new ATOM 0 HA3 GLY A 52 -13.356 -1.104 -11.412 1.00 45.03 H new ATOM 725 N THR A 53 -11.158 -2.916 -11.594 1.00 35.34 N ATOM 726 CA THR A 53 -10.173 -3.811 -10.994 1.00 24.05 C ATOM 727 C THR A 53 -9.649 -3.216 -9.684 1.00 21.54 C ATOM 728 O THR A 53 -9.032 -2.146 -9.688 1.00 34.43 O ATOM 729 CB THR A 53 -8.987 -4.051 -11.959 1.00 51.24 C ATOM 730 OG1 THR A 53 -9.464 -4.588 -13.205 1.00 74.03 O ATOM 731 CG2 THR A 53 -7.958 -5.000 -11.353 1.00 4.22 C ATOM 0 H THR A 53 -10.753 -2.185 -12.179 1.00 35.34 H new ATOM 0 HA THR A 53 -10.661 -4.764 -10.792 1.00 24.05 H new ATOM 0 HB THR A 53 -8.503 -3.090 -12.136 1.00 51.24 H new ATOM 0 HG1 THR A 53 -9.146 -5.509 -13.307 1.00 74.03 H new ATOM 0 HG21 THR A 53 -7.139 -5.146 -12.057 1.00 4.22 H new ATOM 0 HG22 THR A 53 -7.570 -4.573 -10.428 1.00 4.22 H new ATOM 0 HG23 THR A 53 -8.429 -5.960 -11.140 1.00 4.22 H new ATOM 739 N VAL A 54 -9.891 -3.909 -8.571 1.00 4.32 N ATOM 740 CA VAL A 54 -9.502 -3.414 -7.249 1.00 13.44 C ATOM 741 C VAL A 54 -8.332 -4.223 -6.680 1.00 14.31 C ATOM 742 O VAL A 54 -8.321 -5.453 -6.756 1.00 42.24 O ATOM 743 CB VAL A 54 -10.698 -3.442 -6.256 1.00 24.33 C ATOM 744 CG1 VAL A 54 -11.235 -4.864 -6.075 1.00 72.45 C ATOM 745 CG2 VAL A 54 -10.306 -2.826 -4.910 1.00 61.24 C ATOM 0 H VAL A 54 -10.356 -4.817 -8.558 1.00 4.32 H new ATOM 0 HA VAL A 54 -9.184 -2.379 -7.375 1.00 13.44 H new ATOM 0 HB VAL A 54 -11.499 -2.838 -6.682 1.00 24.33 H new ATOM 0 HG11 VAL A 54 -12.071 -4.851 -5.375 1.00 72.45 H new ATOM 0 HG12 VAL A 54 -11.573 -5.250 -7.037 1.00 72.45 H new ATOM 0 HG13 VAL A 54 -10.444 -5.505 -5.684 1.00 72.45 H new ATOM 0 HG21 VAL A 54 -11.160 -2.858 -4.233 1.00 61.24 H new ATOM 0 HG22 VAL A 54 -9.480 -3.391 -4.478 1.00 61.24 H new ATOM 0 HG23 VAL A 54 -9.999 -1.791 -5.059 1.00 61.24 H new ATOM 755 N ALA A 55 -7.342 -3.527 -6.127 1.00 72.33 N ATOM 756 CA ALA A 55 -6.173 -4.174 -5.531 1.00 62.32 C ATOM 757 C ALA A 55 -6.301 -4.221 -4.008 1.00 3.21 C ATOM 758 O ALA A 55 -6.236 -3.183 -3.347 1.00 20.02 O ATOM 759 CB ALA A 55 -4.902 -3.430 -5.929 1.00 24.23 C ATOM 0 H ALA A 55 -7.325 -2.508 -6.079 1.00 72.33 H new ATOM 0 HA ALA A 55 -6.117 -5.197 -5.904 1.00 62.32 H new ATOM 0 HB1 ALA A 55 -4.038 -3.920 -5.480 1.00 24.23 H new ATOM 0 HB2 ALA A 55 -4.800 -3.438 -7.014 1.00 24.23 H new ATOM 0 HB3 ALA A 55 -4.958 -2.400 -5.577 1.00 24.23 H new ATOM 765 N LEU A 56 -6.494 -5.417 -3.457 1.00 1.13 N ATOM 766 CA LEU A 56 -6.605 -5.593 -2.009 1.00 45.24 C ATOM 767 C LEU A 56 -5.218 -5.718 -1.388 1.00 52.24 C ATOM 768 O LEU A 56 -4.344 -6.388 -1.941 1.00 44.04 O ATOM 769 CB LEU A 56 -7.431 -6.845 -1.673 1.00 12.44 C ATOM 770 CG LEU A 56 -8.804 -6.932 -2.353 1.00 74.31 C ATOM 771 CD1 LEU A 56 -9.536 -8.202 -1.931 1.00 41.41 C ATOM 772 CD2 LEU A 56 -9.645 -5.692 -2.051 1.00 53.54 C ATOM 0 H LEU A 56 -6.577 -6.281 -3.992 1.00 1.13 H new ATOM 0 HA LEU A 56 -7.110 -4.718 -1.599 1.00 45.24 H new ATOM 0 HB2 LEU A 56 -6.852 -7.726 -1.949 1.00 12.44 H new ATOM 0 HB3 LEU A 56 -7.576 -6.884 -0.593 1.00 12.44 H new ATOM 0 HG LEU A 56 -8.645 -6.974 -3.431 1.00 74.31 H new ATOM 0 HD11 LEU A 56 -10.507 -8.243 -2.425 1.00 41.41 H new ATOM 0 HD12 LEU A 56 -8.947 -9.073 -2.216 1.00 41.41 H new ATOM 0 HD13 LEU A 56 -9.678 -8.198 -0.850 1.00 41.41 H new ATOM 0 HD21 LEU A 56 -10.613 -5.780 -2.545 1.00 53.54 H new ATOM 0 HD22 LEU A 56 -9.793 -5.606 -0.975 1.00 53.54 H new ATOM 0 HD23 LEU A 56 -9.129 -4.804 -2.418 1.00 53.54 H new ATOM 784 N ILE A 57 -5.020 -5.063 -0.252 1.00 73.14 N ATOM 785 CA ILE A 57 -3.760 -5.134 0.485 1.00 41.21 C ATOM 786 C ILE A 57 -4.042 -5.315 1.974 1.00 73.43 C ATOM 787 O ILE A 57 -4.681 -4.463 2.596 1.00 30.10 O ATOM 788 CB ILE A 57 -2.898 -3.857 0.277 1.00 40.55 C ATOM 789 CG1 ILE A 57 -2.615 -3.632 -1.219 1.00 71.35 C ATOM 790 CG2 ILE A 57 -1.590 -3.955 1.064 1.00 72.25 C ATOM 791 CD1 ILE A 57 -1.806 -2.384 -1.512 1.00 43.12 C ATOM 0 H ILE A 57 -5.724 -4.469 0.186 1.00 73.14 H new ATOM 0 HA ILE A 57 -3.201 -5.987 0.102 1.00 41.21 H new ATOM 0 HB ILE A 57 -3.459 -3.001 0.652 1.00 40.55 H new ATOM 0 HG12 ILE A 57 -2.083 -4.498 -1.612 1.00 71.35 H new ATOM 0 HG13 ILE A 57 -3.563 -3.572 -1.753 1.00 71.35 H new ATOM 0 HG21 ILE A 57 -1.001 -3.052 0.905 1.00 72.25 H new ATOM 0 HG22 ILE A 57 -1.811 -4.062 2.126 1.00 72.25 H new ATOM 0 HG23 ILE A 57 -1.024 -4.822 0.723 1.00 72.25 H new ATOM 0 HD11 ILE A 57 -1.649 -2.296 -2.587 1.00 43.12 H new ATOM 0 HD12 ILE A 57 -2.345 -1.508 -1.151 1.00 43.12 H new ATOM 0 HD13 ILE A 57 -0.841 -2.449 -1.009 1.00 43.12 H new ATOM 803 N ASP A 58 -3.579 -6.429 2.532 1.00 12.01 N ATOM 804 CA ASP A 58 -3.802 -6.744 3.945 1.00 4.41 C ATOM 805 C ASP A 58 -2.749 -6.069 4.822 1.00 75.41 C ATOM 806 O ASP A 58 -1.557 -6.351 4.697 1.00 34.21 O ATOM 807 CB ASP A 58 -3.775 -8.266 4.157 1.00 13.13 C ATOM 808 CG ASP A 58 -4.079 -8.676 5.589 1.00 34.20 C ATOM 809 OD1 ASP A 58 -3.601 -9.747 6.022 1.00 54.35 O ATOM 810 OD2 ASP A 58 -4.832 -7.958 6.268 1.00 13.12 O ATOM 0 H ASP A 58 -3.043 -7.135 2.026 1.00 12.01 H new ATOM 0 HA ASP A 58 -4.782 -6.364 4.233 1.00 4.41 H new ATOM 0 HB2 ASP A 58 -4.501 -8.732 3.490 1.00 13.13 H new ATOM 0 HB3 ASP A 58 -2.793 -8.648 3.877 1.00 13.13 H new ATOM 815 N MET A 59 -3.191 -5.158 5.685 1.00 15.22 N ATOM 816 CA MET A 59 -2.287 -4.422 6.571 1.00 30.35 C ATOM 817 C MET A 59 -2.901 -4.223 7.956 1.00 61.00 C ATOM 818 O MET A 59 -4.074 -4.516 8.183 1.00 52.15 O ATOM 819 CB MET A 59 -1.922 -3.055 5.971 1.00 61.14 C ATOM 820 CG MET A 59 -1.117 -3.130 4.681 1.00 62.31 C ATOM 821 SD MET A 59 -0.582 -1.508 4.098 1.00 13.21 S ATOM 822 CE MET A 59 0.443 -0.966 5.465 1.00 33.55 C ATOM 0 H MET A 59 -4.174 -4.909 5.791 1.00 15.22 H new ATOM 0 HA MET A 59 -1.382 -5.021 6.674 1.00 30.35 H new ATOM 0 HB2 MET A 59 -2.840 -2.499 5.781 1.00 61.14 H new ATOM 0 HB3 MET A 59 -1.353 -2.488 6.708 1.00 61.14 H new ATOM 0 HG2 MET A 59 -0.243 -3.761 4.840 1.00 62.31 H new ATOM 0 HG3 MET A 59 -1.720 -3.608 3.909 1.00 62.31 H new ATOM 0 HE1 MET A 59 1.138 -0.201 5.118 1.00 33.55 H new ATOM 0 HE2 MET A 59 -0.188 -0.552 6.251 1.00 33.55 H new ATOM 0 HE3 MET A 59 1.003 -1.814 5.858 1.00 33.55 H new ATOM 832 N THR A 60 -2.080 -3.733 8.877 1.00 1.24 N ATOM 833 CA THR A 60 -2.527 -3.342 10.209 1.00 13.13 C ATOM 834 C THR A 60 -1.637 -2.215 10.714 1.00 22.24 C ATOM 835 O THR A 60 -0.676 -1.831 10.040 1.00 2.43 O ATOM 836 CB THR A 60 -2.482 -4.524 11.211 1.00 62.22 C ATOM 837 OG1 THR A 60 -3.143 -4.159 12.432 1.00 61.24 O ATOM 838 CG2 THR A 60 -1.043 -4.935 11.520 1.00 14.54 C ATOM 0 H THR A 60 -1.082 -3.595 8.721 1.00 1.24 H new ATOM 0 HA THR A 60 -3.564 -3.015 10.136 1.00 13.13 H new ATOM 0 HB THR A 60 -2.993 -5.370 10.751 1.00 62.22 H new ATOM 0 HG1 THR A 60 -3.972 -4.673 12.521 1.00 61.24 H new ATOM 0 HG21 THR A 60 -1.045 -5.766 12.225 1.00 14.54 H new ATOM 0 HG22 THR A 60 -0.547 -5.242 10.599 1.00 14.54 H new ATOM 0 HG23 THR A 60 -0.509 -4.091 11.956 1.00 14.54 H new ATOM 846 N LEU A 61 -1.947 -1.688 11.893 1.00 12.42 N ATOM 847 CA LEU A 61 -1.155 -0.617 12.487 1.00 51.42 C ATOM 848 C LEU A 61 -0.629 -1.063 13.848 1.00 55.44 C ATOM 849 O LEU A 61 -1.309 -1.791 14.574 1.00 54.03 O ATOM 850 CB LEU A 61 -1.990 0.667 12.616 1.00 32.14 C ATOM 851 CG LEU A 61 -2.666 1.139 11.310 1.00 25.14 C ATOM 852 CD1 LEU A 61 -3.512 2.388 11.548 1.00 0.22 C ATOM 853 CD2 LEU A 61 -1.628 1.395 10.211 1.00 12.33 C ATOM 0 H LEU A 61 -2.743 -1.986 12.458 1.00 12.42 H new ATOM 0 HA LEU A 61 -0.308 -0.398 11.837 1.00 51.42 H new ATOM 0 HB2 LEU A 61 -2.761 0.507 13.369 1.00 32.14 H new ATOM 0 HB3 LEU A 61 -1.346 1.466 12.984 1.00 32.14 H new ATOM 0 HG LEU A 61 -3.326 0.339 10.975 1.00 25.14 H new ATOM 0 HD11 LEU A 61 -3.976 2.697 10.611 1.00 0.22 H new ATOM 0 HD12 LEU A 61 -4.288 2.168 12.281 1.00 0.22 H new ATOM 0 HD13 LEU A 61 -2.877 3.192 11.921 1.00 0.22 H new ATOM 0 HD21 LEU A 61 -2.133 1.726 9.304 1.00 12.33 H new ATOM 0 HD22 LEU A 61 -0.932 2.166 10.541 1.00 12.33 H new ATOM 0 HD23 LEU A 61 -1.080 0.475 10.006 1.00 12.33 H new ATOM 865 N THR A 62 0.573 -0.606 14.183 1.00 71.30 N ATOM 866 CA THR A 62 1.291 -1.056 15.373 1.00 44.20 C ATOM 867 C THR A 62 0.449 -0.942 16.647 1.00 1.11 C ATOM 868 O THR A 62 0.256 -1.923 17.371 1.00 42.33 O ATOM 869 CB THR A 62 2.591 -0.243 15.545 1.00 3.24 C ATOM 870 OG1 THR A 62 2.288 1.162 15.533 1.00 42.54 O ATOM 871 CG2 THR A 62 3.593 -0.560 14.437 1.00 63.42 C ATOM 0 H THR A 62 1.080 0.090 13.635 1.00 71.30 H new ATOM 0 HA THR A 62 1.522 -2.111 15.224 1.00 44.20 H new ATOM 0 HB THR A 62 3.040 -0.517 16.500 1.00 3.24 H new ATOM 0 HG1 THR A 62 3.115 1.676 15.644 1.00 42.54 H new ATOM 0 HG21 THR A 62 4.498 0.028 14.586 1.00 63.42 H new ATOM 0 HG22 THR A 62 3.841 -1.621 14.464 1.00 63.42 H new ATOM 0 HG23 THR A 62 3.155 -0.314 13.469 1.00 63.42 H new ATOM 879 N SER A 63 -0.056 0.257 16.909 1.00 14.42 N ATOM 880 CA SER A 63 -0.785 0.535 18.147 1.00 75.32 C ATOM 881 C SER A 63 -2.295 0.500 17.916 1.00 24.12 C ATOM 882 O SER A 63 -3.078 0.649 18.853 1.00 52.21 O ATOM 883 CB SER A 63 -0.361 1.902 18.698 1.00 43.14 C ATOM 884 OG SER A 63 1.052 1.985 18.807 1.00 3.43 O ATOM 0 H SER A 63 0.025 1.057 16.281 1.00 14.42 H new ATOM 0 HA SER A 63 -0.541 -0.239 18.875 1.00 75.32 H new ATOM 0 HB2 SER A 63 -0.727 2.693 18.043 1.00 43.14 H new ATOM 0 HB3 SER A 63 -0.816 2.062 19.676 1.00 43.14 H new ATOM 0 HG SER A 63 1.302 2.865 19.159 1.00 3.43 H new ATOM 890 N ALA A 64 -2.690 0.324 16.651 1.00 30.50 N ATOM 891 CA ALA A 64 -4.104 0.269 16.252 1.00 23.22 C ATOM 892 C ALA A 64 -4.873 1.540 16.647 1.00 72.11 C ATOM 893 O ALA A 64 -6.094 1.599 16.518 1.00 5.41 O ATOM 894 CB ALA A 64 -4.775 -0.970 16.851 1.00 72.40 C ATOM 0 H ALA A 64 -2.040 0.215 15.873 1.00 30.50 H new ATOM 0 HA ALA A 64 -4.131 0.204 15.164 1.00 23.22 H new ATOM 0 HB1 ALA A 64 -5.822 -0.999 16.548 1.00 72.40 H new ATOM 0 HB2 ALA A 64 -4.269 -1.867 16.494 1.00 72.40 H new ATOM 0 HB3 ALA A 64 -4.713 -0.927 17.938 1.00 72.40 H new ATOM 900 N ALA A 65 -4.149 2.559 17.108 1.00 43.23 N ATOM 901 CA ALA A 65 -4.758 3.826 17.508 1.00 14.20 C ATOM 902 C ALA A 65 -4.199 4.973 16.675 1.00 42.53 C ATOM 903 O ALA A 65 -4.915 5.913 16.331 1.00 64.25 O ATOM 904 CB ALA A 65 -4.514 4.081 18.993 1.00 52.02 C ATOM 0 H ALA A 65 -3.135 2.531 17.214 1.00 43.23 H new ATOM 0 HA ALA A 65 -5.832 3.766 17.334 1.00 14.20 H new ATOM 0 HB1 ALA A 65 -4.972 5.028 19.280 1.00 52.02 H new ATOM 0 HB2 ALA A 65 -4.954 3.273 19.578 1.00 52.02 H new ATOM 0 HB3 ALA A 65 -3.442 4.125 19.183 1.00 52.02 H new ATOM 910 N CYS A 66 -2.914 4.878 16.352 1.00 25.15 N ATOM 911 CA CYS A 66 -2.238 5.887 15.550 1.00 31.50 C ATOM 912 C CYS A 66 -2.798 5.888 14.119 1.00 62.24 C ATOM 913 O CYS A 66 -2.783 4.853 13.445 1.00 3.03 O ATOM 914 CB CYS A 66 -0.735 5.599 15.544 1.00 2.14 C ATOM 915 SG CYS A 66 -0.062 5.237 17.182 1.00 60.55 S ATOM 0 H CYS A 66 -2.316 4.103 16.638 1.00 25.15 H new ATOM 0 HA CYS A 66 -2.410 6.874 15.980 1.00 31.50 H new ATOM 0 HB2 CYS A 66 -0.538 4.754 14.884 1.00 2.14 H new ATOM 0 HB3 CYS A 66 -0.210 6.458 15.126 1.00 2.14 H new ATOM 0 HG CYS A 66 1.213 5.003 17.085 1.00 60.55 H new ATOM 921 N PRO A 67 -3.296 7.043 13.639 1.00 2.32 N ATOM 922 CA PRO A 67 -3.961 7.146 12.332 1.00 44.13 C ATOM 923 C PRO A 67 -2.976 7.140 11.154 1.00 63.24 C ATOM 924 O PRO A 67 -2.856 8.122 10.419 1.00 52.11 O ATOM 925 CB PRO A 67 -4.695 8.488 12.432 1.00 73.41 C ATOM 926 CG PRO A 67 -3.831 9.311 13.329 1.00 44.52 C ATOM 927 CD PRO A 67 -3.252 8.349 14.335 1.00 14.43 C ATOM 0 HA PRO A 67 -4.613 6.296 12.133 1.00 44.13 H new ATOM 0 HB2 PRO A 67 -4.810 8.953 11.453 1.00 73.41 H new ATOM 0 HB3 PRO A 67 -5.696 8.365 12.846 1.00 73.41 H new ATOM 0 HG2 PRO A 67 -3.042 9.808 12.764 1.00 44.52 H new ATOM 0 HG3 PRO A 67 -4.410 10.091 13.822 1.00 44.52 H new ATOM 0 HD2 PRO A 67 -2.233 8.622 14.609 1.00 14.43 H new ATOM 0 HD3 PRO A 67 -3.836 8.332 15.255 1.00 14.43 H new ATOM 935 N LEU A 68 -2.277 6.023 10.971 1.00 61.01 N ATOM 936 CA LEU A 68 -1.363 5.860 9.838 1.00 70.22 C ATOM 937 C LEU A 68 -2.112 5.356 8.605 1.00 73.30 C ATOM 938 O LEU A 68 -1.529 5.223 7.529 1.00 60.10 O ATOM 939 CB LEU A 68 -0.210 4.895 10.188 1.00 25.20 C ATOM 940 CG LEU A 68 0.951 5.497 11.001 1.00 42.44 C ATOM 941 CD1 LEU A 68 1.619 6.630 10.227 1.00 42.23 C ATOM 942 CD2 LEU A 68 0.477 5.982 12.367 1.00 20.03 C ATOM 0 H LEU A 68 -2.324 5.215 11.592 1.00 61.01 H new ATOM 0 HA LEU A 68 -0.937 6.838 9.614 1.00 70.22 H new ATOM 0 HB2 LEU A 68 -0.622 4.056 10.748 1.00 25.20 H new ATOM 0 HB3 LEU A 68 0.194 4.491 9.260 1.00 25.20 H new ATOM 0 HG LEU A 68 1.688 4.710 11.165 1.00 42.44 H new ATOM 0 HD11 LEU A 68 2.437 7.042 10.818 1.00 42.23 H new ATOM 0 HD12 LEU A 68 2.010 6.246 9.285 1.00 42.23 H new ATOM 0 HD13 LEU A 68 0.888 7.412 10.024 1.00 42.23 H new ATOM 0 HD21 LEU A 68 1.320 6.401 12.917 1.00 20.03 H new ATOM 0 HD22 LEU A 68 -0.288 6.747 12.236 1.00 20.03 H new ATOM 0 HD23 LEU A 68 0.060 5.144 12.926 1.00 20.03 H new ATOM 954 N THR A 69 -3.406 5.091 8.768 1.00 64.11 N ATOM 955 CA THR A 69 -4.235 4.585 7.679 1.00 21.13 C ATOM 956 C THR A 69 -4.203 5.533 6.471 1.00 33.21 C ATOM 957 O THR A 69 -4.029 5.098 5.328 1.00 5.21 O ATOM 958 CB THR A 69 -5.695 4.355 8.147 1.00 63.42 C ATOM 959 OG1 THR A 69 -6.495 3.884 7.060 1.00 53.23 O ATOM 960 CG2 THR A 69 -6.310 5.628 8.724 1.00 73.04 C ATOM 0 H THR A 69 -3.904 5.219 9.649 1.00 64.11 H new ATOM 0 HA THR A 69 -3.820 3.625 7.371 1.00 21.13 H new ATOM 0 HB THR A 69 -5.671 3.603 8.936 1.00 63.42 H new ATOM 0 HG1 THR A 69 -6.551 2.906 7.095 1.00 53.23 H new ATOM 0 HG21 THR A 69 -7.333 5.426 9.041 1.00 73.04 H new ATOM 0 HG22 THR A 69 -5.723 5.959 9.581 1.00 73.04 H new ATOM 0 HG23 THR A 69 -6.313 6.408 7.963 1.00 73.04 H new ATOM 968 N ASP A 70 -4.333 6.833 6.737 1.00 72.23 N ATOM 969 CA ASP A 70 -4.292 7.848 5.686 1.00 34.41 C ATOM 970 C ASP A 70 -2.967 7.778 4.941 1.00 64.32 C ATOM 971 O ASP A 70 -2.922 7.873 3.717 1.00 55.33 O ATOM 972 CB ASP A 70 -4.467 9.252 6.281 1.00 21.23 C ATOM 973 CG ASP A 70 -5.768 9.412 7.045 1.00 53.51 C ATOM 974 OD1 ASP A 70 -5.816 9.011 8.230 1.00 64.11 O ATOM 975 OD2 ASP A 70 -6.743 9.949 6.473 1.00 23.44 O ATOM 0 H ASP A 70 -4.468 7.208 7.676 1.00 72.23 H new ATOM 0 HA ASP A 70 -5.110 7.652 4.993 1.00 34.41 H new ATOM 0 HB2 ASP A 70 -3.631 9.465 6.948 1.00 21.23 H new ATOM 0 HB3 ASP A 70 -4.430 9.988 5.478 1.00 21.23 H new ATOM 980 N VAL A 71 -1.894 7.590 5.704 1.00 41.55 N ATOM 981 CA VAL A 71 -0.545 7.561 5.154 1.00 34.44 C ATOM 982 C VAL A 71 -0.355 6.353 4.238 1.00 10.53 C ATOM 983 O VAL A 71 0.074 6.496 3.093 1.00 30.03 O ATOM 984 CB VAL A 71 0.522 7.527 6.277 1.00 40.53 C ATOM 985 CG1 VAL A 71 1.936 7.530 5.695 1.00 51.44 C ATOM 986 CG2 VAL A 71 0.326 8.698 7.242 1.00 4.14 C ATOM 0 H VAL A 71 -1.936 7.454 6.714 1.00 41.55 H new ATOM 0 HA VAL A 71 -0.415 8.475 4.574 1.00 34.44 H new ATOM 0 HB VAL A 71 0.395 6.599 6.835 1.00 40.53 H new ATOM 0 HG11 VAL A 71 2.663 7.506 6.506 1.00 51.44 H new ATOM 0 HG12 VAL A 71 2.070 6.654 5.061 1.00 51.44 H new ATOM 0 HG13 VAL A 71 2.084 8.433 5.102 1.00 51.44 H new ATOM 0 HG21 VAL A 71 1.085 8.657 8.023 1.00 4.14 H new ATOM 0 HG22 VAL A 71 0.417 9.638 6.697 1.00 4.14 H new ATOM 0 HG23 VAL A 71 -0.664 8.635 7.694 1.00 4.14 H new ATOM 996 N ILE A 72 -0.695 5.169 4.744 1.00 64.34 N ATOM 997 CA ILE A 72 -0.493 3.931 3.997 1.00 33.52 C ATOM 998 C ILE A 72 -1.348 3.906 2.724 1.00 74.00 C ATOM 999 O ILE A 72 -0.876 3.509 1.653 1.00 23.42 O ATOM 1000 CB ILE A 72 -0.771 2.685 4.866 1.00 73.41 C ATOM 1001 CG1 ILE A 72 -2.238 2.620 5.300 1.00 21.30 C ATOM 1002 CG2 ILE A 72 0.154 2.682 6.088 1.00 44.53 C ATOM 1003 CD1 ILE A 72 -2.552 1.394 6.116 1.00 71.20 C ATOM 0 H ILE A 72 -1.111 5.042 5.667 1.00 64.34 H new ATOM 0 HA ILE A 72 0.557 3.901 3.704 1.00 33.52 H new ATOM 0 HB ILE A 72 -0.568 1.799 4.264 1.00 73.41 H new ATOM 0 HG12 ILE A 72 -2.480 3.510 5.882 1.00 21.30 H new ATOM 0 HG13 ILE A 72 -2.875 2.635 4.415 1.00 21.30 H new ATOM 0 HG21 ILE A 72 -0.049 1.800 6.696 1.00 44.53 H new ATOM 0 HG22 ILE A 72 1.193 2.665 5.758 1.00 44.53 H new ATOM 0 HG23 ILE A 72 -0.023 3.579 6.681 1.00 44.53 H new ATOM 0 HD11 ILE A 72 -3.606 1.403 6.395 1.00 71.20 H new ATOM 0 HD12 ILE A 72 -2.339 0.501 5.528 1.00 71.20 H new ATOM 0 HD13 ILE A 72 -1.938 1.390 7.017 1.00 71.20 H new ATOM 1015 N GLU A 73 -2.592 4.368 2.834 1.00 23.42 N ATOM 1016 CA GLU A 73 -3.489 4.426 1.681 1.00 51.12 C ATOM 1017 C GLU A 73 -3.028 5.470 0.680 1.00 72.34 C ATOM 1018 O GLU A 73 -3.115 5.253 -0.526 1.00 75.01 O ATOM 1019 CB GLU A 73 -4.929 4.707 2.129 1.00 50.20 C ATOM 1020 CG GLU A 73 -5.692 3.448 2.521 1.00 62.11 C ATOM 1021 CD GLU A 73 -6.674 2.988 1.451 1.00 51.13 C ATOM 1022 OE1 GLU A 73 -6.328 2.103 0.646 1.00 23.13 O ATOM 1023 OE2 GLU A 73 -7.815 3.500 1.430 1.00 42.24 O ATOM 0 H GLU A 73 -3.001 4.706 3.705 1.00 23.42 H new ATOM 0 HA GLU A 73 -3.464 3.454 1.188 1.00 51.12 H new ATOM 0 HB2 GLU A 73 -4.912 5.392 2.976 1.00 50.20 H new ATOM 0 HB3 GLU A 73 -5.462 5.211 1.322 1.00 50.20 H new ATOM 0 HG2 GLU A 73 -4.981 2.647 2.722 1.00 62.11 H new ATOM 0 HG3 GLU A 73 -6.234 3.633 3.448 1.00 62.11 H new ATOM 1030 N ASP A 74 -2.529 6.598 1.173 1.00 73.22 N ATOM 1031 CA ASP A 74 -2.069 7.664 0.291 1.00 5.51 C ATOM 1032 C ASP A 74 -0.825 7.225 -0.477 1.00 73.03 C ATOM 1033 O ASP A 74 -0.752 7.402 -1.689 1.00 5.54 O ATOM 1034 CB ASP A 74 -1.782 8.953 1.066 1.00 71.01 C ATOM 1035 CG ASP A 74 -1.384 10.096 0.144 1.00 24.23 C ATOM 1036 OD1 ASP A 74 -2.274 10.677 -0.512 1.00 50.45 O ATOM 1037 OD2 ASP A 74 -0.182 10.423 0.070 1.00 41.51 O ATOM 0 H ASP A 74 -2.433 6.797 2.169 1.00 73.22 H new ATOM 0 HA ASP A 74 -2.870 7.870 -0.418 1.00 5.51 H new ATOM 0 HB2 ASP A 74 -2.666 9.238 1.636 1.00 71.01 H new ATOM 0 HB3 ASP A 74 -0.984 8.773 1.786 1.00 71.01 H new ATOM 1042 N GLN A 75 0.143 6.635 0.227 1.00 65.54 N ATOM 1043 CA GLN A 75 1.384 6.183 -0.407 1.00 63.32 C ATOM 1044 C GLN A 75 1.099 5.057 -1.401 1.00 70.44 C ATOM 1045 O GLN A 75 1.656 5.038 -2.502 1.00 1.22 O ATOM 1046 CB GLN A 75 2.417 5.744 0.637 1.00 34.34 C ATOM 1047 CG GLN A 75 1.977 4.542 1.442 1.00 43.23 C ATOM 1048 CD GLN A 75 2.967 4.125 2.517 1.00 70.43 C ATOM 1049 OE1 GLN A 75 3.076 2.948 2.851 1.00 40.04 O ATOM 1050 NE2 GLN A 75 3.681 5.086 3.078 1.00 45.23 N ATOM 0 H GLN A 75 0.093 6.460 1.231 1.00 65.54 H new ATOM 0 HA GLN A 75 1.808 7.025 -0.954 1.00 63.32 H new ATOM 0 HB2 GLN A 75 3.356 5.512 0.134 1.00 34.34 H new ATOM 0 HB3 GLN A 75 2.615 6.575 1.315 1.00 34.34 H new ATOM 0 HG2 GLN A 75 1.018 4.762 1.911 1.00 43.23 H new ATOM 0 HG3 GLN A 75 1.816 3.703 0.765 1.00 43.23 H new ATOM 0 HE21 GLN A 75 3.563 6.053 2.774 1.00 45.23 H new ATOM 0 HE22 GLN A 75 4.350 4.861 3.815 1.00 45.23 H new ATOM 1059 N SER A 76 0.218 4.132 -1.019 1.00 24.04 N ATOM 1060 CA SER A 76 -0.204 3.063 -1.917 1.00 11.22 C ATOM 1061 C SER A 76 -0.880 3.669 -3.148 1.00 51.54 C ATOM 1062 O SER A 76 -0.496 3.392 -4.290 1.00 5.42 O ATOM 1063 CB SER A 76 -1.160 2.109 -1.187 1.00 54.02 C ATOM 1064 OG SER A 76 -1.555 1.031 -2.018 1.00 30.32 O ATOM 0 H SER A 76 -0.215 4.103 -0.096 1.00 24.04 H new ATOM 0 HA SER A 76 0.667 2.492 -2.239 1.00 11.22 H new ATOM 0 HB2 SER A 76 -0.674 1.720 -0.292 1.00 54.02 H new ATOM 0 HB3 SER A 76 -2.042 2.658 -0.858 1.00 54.02 H new ATOM 0 HG SER A 76 -2.377 0.631 -1.666 1.00 30.32 H new ATOM 1070 N ARG A 77 -1.864 4.529 -2.897 1.00 2.15 N ATOM 1071 CA ARG A 77 -2.566 5.245 -3.962 1.00 52.44 C ATOM 1072 C ARG A 77 -1.589 6.007 -4.862 1.00 71.13 C ATOM 1073 O ARG A 77 -1.751 6.017 -6.080 1.00 71.15 O ATOM 1074 CB ARG A 77 -3.626 6.193 -3.346 1.00 4.51 C ATOM 1075 CG ARG A 77 -3.943 7.450 -4.165 1.00 74.24 C ATOM 1076 CD ARG A 77 -3.058 8.626 -3.750 1.00 73.11 C ATOM 1077 NE ARG A 77 -3.138 9.742 -4.690 1.00 2.35 N ATOM 1078 CZ ARG A 77 -2.840 11.004 -4.378 1.00 5.31 C ATOM 1079 NH1 ARG A 77 -2.522 11.335 -3.133 1.00 32.11 N ATOM 1080 NH2 ARG A 77 -2.870 11.935 -5.318 1.00 5.14 N ATOM 0 H ARG A 77 -2.196 4.749 -1.958 1.00 2.15 H new ATOM 0 HA ARG A 77 -3.076 4.517 -4.594 1.00 52.44 H new ATOM 0 HB2 ARG A 77 -4.549 5.632 -3.202 1.00 4.51 H new ATOM 0 HB3 ARG A 77 -3.282 6.501 -2.358 1.00 4.51 H new ATOM 0 HG2 ARG A 77 -3.799 7.241 -5.225 1.00 74.24 H new ATOM 0 HG3 ARG A 77 -4.991 7.717 -4.032 1.00 74.24 H new ATOM 0 HD2 ARG A 77 -3.354 8.968 -2.758 1.00 73.11 H new ATOM 0 HD3 ARG A 77 -2.024 8.290 -3.676 1.00 73.11 H new ATOM 0 HE ARG A 77 -3.440 9.544 -5.644 1.00 2.35 H new ATOM 0 HH11 ARG A 77 -2.504 10.621 -2.404 1.00 32.11 H new ATOM 0 HH12 ARG A 77 -2.296 12.303 -2.905 1.00 32.11 H new ATOM 0 HH21 ARG A 77 -3.120 11.686 -6.275 1.00 5.14 H new ATOM 0 HH22 ARG A 77 -2.643 12.902 -5.086 1.00 5.14 H new ATOM 1094 N SER A 78 -0.573 6.623 -4.266 1.00 74.25 N ATOM 1095 CA SER A 78 0.379 7.437 -5.016 1.00 33.35 C ATOM 1096 C SER A 78 0.995 6.645 -6.169 1.00 14.05 C ATOM 1097 O SER A 78 0.955 7.085 -7.320 1.00 43.33 O ATOM 1098 CB SER A 78 1.480 7.969 -4.089 1.00 40.15 C ATOM 1099 OG SER A 78 0.948 8.872 -3.132 1.00 3.42 O ATOM 0 H SER A 78 -0.387 6.574 -3.264 1.00 74.25 H new ATOM 0 HA SER A 78 -0.164 8.283 -5.438 1.00 33.35 H new ATOM 0 HB2 SER A 78 1.964 7.136 -3.579 1.00 40.15 H new ATOM 0 HB3 SER A 78 2.247 8.470 -4.680 1.00 40.15 H new ATOM 0 HG SER A 78 0.407 8.378 -2.481 1.00 3.42 H new ATOM 1105 N ALA A 79 1.548 5.473 -5.862 1.00 30.52 N ATOM 1106 CA ALA A 79 2.193 4.655 -6.885 1.00 32.02 C ATOM 1107 C ALA A 79 1.164 3.971 -7.787 1.00 41.40 C ATOM 1108 O ALA A 79 1.187 4.142 -9.005 1.00 2.25 O ATOM 1109 CB ALA A 79 3.102 3.616 -6.232 1.00 31.21 C ATOM 0 H ALA A 79 1.562 5.073 -4.924 1.00 30.52 H new ATOM 0 HA ALA A 79 2.796 5.314 -7.510 1.00 32.02 H new ATOM 0 HB1 ALA A 79 3.578 3.012 -7.005 1.00 31.21 H new ATOM 0 HB2 ALA A 79 3.868 4.121 -5.644 1.00 31.21 H new ATOM 0 HB3 ALA A 79 2.510 2.972 -5.581 1.00 31.21 H new ATOM 1115 N LEU A 80 0.196 3.287 -7.178 1.00 21.30 N ATOM 1116 CA LEU A 80 -0.753 2.463 -7.933 1.00 72.12 C ATOM 1117 C LEU A 80 -1.550 3.303 -8.932 1.00 0.03 C ATOM 1118 O LEU A 80 -1.946 2.814 -9.994 1.00 63.20 O ATOM 1119 CB LEU A 80 -1.692 1.709 -6.980 1.00 53.14 C ATOM 1120 CG LEU A 80 -0.996 0.701 -6.045 1.00 24.52 C ATOM 1121 CD1 LEU A 80 -2.006 0.006 -5.136 1.00 43.32 C ATOM 1122 CD2 LEU A 80 -0.202 -0.325 -6.854 1.00 52.31 C ATOM 0 H LEU A 80 0.047 3.285 -6.169 1.00 21.30 H new ATOM 0 HA LEU A 80 -0.180 1.731 -8.502 1.00 72.12 H new ATOM 0 HB2 LEU A 80 -2.228 2.437 -6.371 1.00 53.14 H new ATOM 0 HB3 LEU A 80 -2.437 1.178 -7.572 1.00 53.14 H new ATOM 0 HG LEU A 80 -0.301 1.254 -5.413 1.00 24.52 H new ATOM 0 HD11 LEU A 80 -1.487 -0.699 -4.487 1.00 43.32 H new ATOM 0 HD12 LEU A 80 -2.519 0.750 -4.526 1.00 43.32 H new ATOM 0 HD13 LEU A 80 -2.735 -0.529 -5.744 1.00 43.32 H new ATOM 0 HD21 LEU A 80 0.282 -1.028 -6.176 1.00 52.31 H new ATOM 0 HD22 LEU A 80 -0.877 -0.867 -7.517 1.00 52.31 H new ATOM 0 HD23 LEU A 80 0.556 0.187 -7.447 1.00 52.31 H new ATOM 1134 N VAL A 81 -1.773 4.567 -8.592 1.00 35.40 N ATOM 1135 CA VAL A 81 -2.438 5.507 -9.488 1.00 42.21 C ATOM 1136 C VAL A 81 -1.409 6.178 -10.403 1.00 71.54 C ATOM 1137 O VAL A 81 -1.725 6.561 -11.529 1.00 1.44 O ATOM 1138 CB VAL A 81 -3.240 6.580 -8.706 1.00 2.42 C ATOM 1139 CG1 VAL A 81 -3.917 7.569 -9.656 1.00 41.13 C ATOM 1140 CG2 VAL A 81 -4.274 5.915 -7.795 1.00 1.14 C ATOM 0 H VAL A 81 -1.501 4.968 -7.694 1.00 35.40 H new ATOM 0 HA VAL A 81 -3.147 4.943 -10.093 1.00 42.21 H new ATOM 0 HB VAL A 81 -2.538 7.140 -8.088 1.00 2.42 H new ATOM 0 HG11 VAL A 81 -4.471 8.308 -9.077 1.00 41.13 H new ATOM 0 HG12 VAL A 81 -3.160 8.072 -10.257 1.00 41.13 H new ATOM 0 HG13 VAL A 81 -4.603 7.033 -10.311 1.00 41.13 H new ATOM 0 HG21 VAL A 81 -4.828 6.682 -7.253 1.00 1.14 H new ATOM 0 HG22 VAL A 81 -4.965 5.326 -8.398 1.00 1.14 H new ATOM 0 HG23 VAL A 81 -3.767 5.263 -7.084 1.00 1.14 H new ATOM 1150 N GLY A 82 -0.166 6.284 -9.920 1.00 31.14 N ATOM 1151 CA GLY A 82 0.875 7.002 -10.644 1.00 23.24 C ATOM 1152 C GLY A 82 1.088 6.455 -12.041 1.00 32.22 C ATOM 1153 O GLY A 82 1.182 7.216 -13.009 1.00 4.45 O ATOM 0 H GLY A 82 0.137 5.881 -9.033 1.00 31.14 H new ATOM 0 HA2 GLY A 82 0.609 8.057 -10.706 1.00 23.24 H new ATOM 0 HA3 GLY A 82 1.810 6.941 -10.086 1.00 23.24 H new ATOM 1157 N SER A 83 1.178 5.134 -12.147 1.00 32.33 N ATOM 1158 CA SER A 83 1.254 4.473 -13.448 1.00 34.22 C ATOM 1159 C SER A 83 -0.097 3.859 -13.818 1.00 40.12 C ATOM 1160 O SER A 83 -0.254 3.284 -14.895 1.00 14.53 O ATOM 1161 CB SER A 83 2.353 3.407 -13.437 1.00 21.25 C ATOM 1162 OG SER A 83 3.605 3.984 -13.098 1.00 71.14 O ATOM 0 H SER A 83 1.200 4.499 -11.349 1.00 32.33 H new ATOM 0 HA SER A 83 1.505 5.217 -14.204 1.00 34.22 H new ATOM 0 HB2 SER A 83 2.101 2.625 -12.721 1.00 21.25 H new ATOM 0 HB3 SER A 83 2.418 2.934 -14.417 1.00 21.25 H new ATOM 0 HG SER A 83 3.704 4.001 -12.123 1.00 71.14 H new ATOM 1168 N GLY A 84 -1.075 4.012 -12.924 1.00 3.10 N ATOM 1169 CA GLY A 84 -2.402 3.465 -13.152 1.00 74.14 C ATOM 1170 C GLY A 84 -2.377 1.958 -13.317 1.00 0.53 C ATOM 1171 O GLY A 84 -2.898 1.419 -14.295 1.00 74.11 O ATOM 0 H GLY A 84 -0.968 4.509 -12.040 1.00 3.10 H new ATOM 0 HA2 GLY A 84 -3.050 3.727 -12.316 1.00 74.14 H new ATOM 0 HA3 GLY A 84 -2.833 3.920 -14.044 1.00 74.14 H new ATOM 1175 N LEU A 85 -1.756 1.277 -12.356 1.00 61.32 N ATOM 1176 CA LEU A 85 -1.612 -0.176 -12.406 1.00 3.21 C ATOM 1177 C LEU A 85 -2.966 -0.862 -12.236 1.00 4.23 C ATOM 1178 O LEU A 85 -3.192 -1.949 -12.770 1.00 53.02 O ATOM 1179 CB LEU A 85 -0.635 -0.654 -11.321 1.00 12.24 C ATOM 1180 CG LEU A 85 0.784 -0.061 -11.406 1.00 42.55 C ATOM 1181 CD1 LEU A 85 1.663 -0.590 -10.274 1.00 21.01 C ATOM 1182 CD2 LEU A 85 1.417 -0.362 -12.765 1.00 20.45 C ATOM 0 H LEU A 85 -1.343 1.711 -11.530 1.00 61.32 H new ATOM 0 HA LEU A 85 -1.211 -0.445 -13.383 1.00 3.21 H new ATOM 0 HB2 LEU A 85 -1.055 -0.411 -10.345 1.00 12.24 H new ATOM 0 HB3 LEU A 85 -0.561 -1.740 -11.375 1.00 12.24 H new ATOM 0 HG LEU A 85 0.705 1.021 -11.298 1.00 42.55 H new ATOM 0 HD11 LEU A 85 2.660 -0.157 -10.355 1.00 21.01 H new ATOM 0 HD12 LEU A 85 1.225 -0.315 -9.314 1.00 21.01 H new ATOM 0 HD13 LEU A 85 1.732 -1.676 -10.344 1.00 21.01 H new ATOM 0 HD21 LEU A 85 2.419 0.066 -12.803 1.00 20.45 H new ATOM 0 HD22 LEU A 85 1.478 -1.441 -12.907 1.00 20.45 H new ATOM 0 HD23 LEU A 85 0.806 0.074 -13.555 1.00 20.45 H new ATOM 1194 N VAL A 86 -3.859 -0.216 -11.488 1.00 43.11 N ATOM 1195 CA VAL A 86 -5.202 -0.743 -11.235 1.00 60.12 C ATOM 1196 C VAL A 86 -6.245 0.370 -11.351 1.00 13.25 C ATOM 1197 O VAL A 86 -5.897 1.537 -11.543 1.00 14.33 O ATOM 1198 CB VAL A 86 -5.308 -1.403 -9.835 1.00 71.34 C ATOM 1199 CG1 VAL A 86 -4.433 -2.652 -9.756 1.00 62.35 C ATOM 1200 CG2 VAL A 86 -4.936 -0.407 -8.736 1.00 43.33 C ATOM 0 H VAL A 86 -3.675 0.683 -11.042 1.00 43.11 H new ATOM 0 HA VAL A 86 -5.394 -1.506 -11.989 1.00 60.12 H new ATOM 0 HB VAL A 86 -6.344 -1.706 -9.681 1.00 71.34 H new ATOM 0 HG11 VAL A 86 -4.524 -3.098 -8.765 1.00 62.35 H new ATOM 0 HG12 VAL A 86 -4.757 -3.371 -10.508 1.00 62.35 H new ATOM 0 HG13 VAL A 86 -3.393 -2.380 -9.938 1.00 62.35 H new ATOM 0 HG21 VAL A 86 -5.017 -0.892 -7.763 1.00 43.33 H new ATOM 0 HG22 VAL A 86 -3.912 -0.065 -8.886 1.00 43.33 H new ATOM 0 HG23 VAL A 86 -5.613 0.446 -8.774 1.00 43.33 H new ATOM 1210 N ASP A 87 -7.521 0.003 -11.235 1.00 2.22 N ATOM 1211 CA ASP A 87 -8.620 0.967 -11.353 1.00 33.25 C ATOM 1212 C ASP A 87 -8.970 1.543 -9.982 1.00 54.31 C ATOM 1213 O ASP A 87 -9.278 2.731 -9.849 1.00 71.20 O ATOM 1214 CB ASP A 87 -9.849 0.291 -11.979 1.00 52.04 C ATOM 1215 CG ASP A 87 -11.001 1.257 -12.221 1.00 2.02 C ATOM 1216 OD1 ASP A 87 -10.955 2.011 -13.219 1.00 11.00 O ATOM 1217 OD2 ASP A 87 -11.966 1.254 -11.431 1.00 22.41 O ATOM 0 H ASP A 87 -7.822 -0.956 -11.059 1.00 2.22 H new ATOM 0 HA ASP A 87 -8.302 1.784 -12.000 1.00 33.25 H new ATOM 0 HB2 ASP A 87 -9.562 -0.168 -12.925 1.00 52.04 H new ATOM 0 HB3 ASP A 87 -10.187 -0.513 -11.325 1.00 52.04 H new ATOM 1222 N ASP A 88 -8.910 0.691 -8.963 1.00 73.52 N ATOM 1223 CA ASP A 88 -9.170 1.101 -7.584 1.00 10.14 C ATOM 1224 C ASP A 88 -8.284 0.307 -6.626 1.00 51.34 C ATOM 1225 O ASP A 88 -7.799 -0.780 -6.967 1.00 72.54 O ATOM 1226 CB ASP A 88 -10.655 0.910 -7.229 1.00 13.42 C ATOM 1227 CG ASP A 88 -10.986 1.363 -5.812 1.00 53.41 C ATOM 1228 OD1 ASP A 88 -11.614 0.587 -5.061 1.00 62.41 O ATOM 1229 OD2 ASP A 88 -10.604 2.496 -5.441 1.00 70.13 O ATOM 0 H ASP A 88 -8.681 -0.298 -9.067 1.00 73.52 H new ATOM 0 HA ASP A 88 -8.933 2.160 -7.486 1.00 10.14 H new ATOM 0 HB2 ASP A 88 -11.268 1.468 -7.937 1.00 13.42 H new ATOM 0 HB3 ASP A 88 -10.918 -0.142 -7.340 1.00 13.42 H new ATOM 1234 N ILE A 89 -8.065 0.853 -5.438 1.00 14.23 N ATOM 1235 CA ILE A 89 -7.221 0.215 -4.434 1.00 2.12 C ATOM 1236 C ILE A 89 -8.012 -0.004 -3.155 1.00 23.32 C ATOM 1237 O ILE A 89 -9.004 0.686 -2.902 1.00 13.34 O ATOM 1238 CB ILE A 89 -5.965 1.065 -4.101 1.00 40.23 C ATOM 1239 CG1 ILE A 89 -6.353 2.341 -3.328 1.00 14.10 C ATOM 1240 CG2 ILE A 89 -5.206 1.422 -5.378 1.00 2.53 C ATOM 1241 CD1 ILE A 89 -5.166 3.099 -2.773 1.00 53.05 C ATOM 0 H ILE A 89 -8.464 1.744 -5.143 1.00 14.23 H new ATOM 0 HA ILE A 89 -6.892 -0.737 -4.850 1.00 2.12 H new ATOM 0 HB ILE A 89 -5.311 0.469 -3.464 1.00 40.23 H new ATOM 0 HG12 ILE A 89 -6.916 2.999 -3.990 1.00 14.10 H new ATOM 0 HG13 ILE A 89 -7.017 2.070 -2.507 1.00 14.10 H new ATOM 0 HG21 ILE A 89 -4.329 2.018 -5.125 1.00 2.53 H new ATOM 0 HG22 ILE A 89 -4.891 0.508 -5.882 1.00 2.53 H new ATOM 0 HG23 ILE A 89 -5.856 1.995 -6.039 1.00 2.53 H new ATOM 0 HD11 ILE A 89 -5.516 3.984 -2.242 1.00 53.05 H new ATOM 0 HD12 ILE A 89 -4.614 2.458 -2.086 1.00 53.05 H new ATOM 0 HD13 ILE A 89 -4.512 3.401 -3.591 1.00 53.05 H new ATOM 1253 N ARG A 90 -7.574 -0.955 -2.346 1.00 13.42 N ATOM 1254 CA ARG A 90 -8.231 -1.222 -1.082 1.00 22.13 C ATOM 1255 C ARG A 90 -7.264 -1.858 -0.089 1.00 61.51 C ATOM 1256 O ARG A 90 -6.912 -3.029 -0.216 1.00 15.45 O ATOM 1257 CB ARG A 90 -9.438 -2.139 -1.313 1.00 11.01 C ATOM 1258 CG ARG A 90 -10.273 -2.418 -0.067 1.00 4.05 C ATOM 1259 CD ARG A 90 -10.824 -1.140 0.562 1.00 2.12 C ATOM 1260 NE ARG A 90 -9.937 -0.595 1.594 1.00 24.32 N ATOM 1261 CZ ARG A 90 -9.368 0.611 1.545 1.00 72.12 C ATOM 1262 NH1 ARG A 90 -9.499 1.379 0.474 1.00 12.31 N ATOM 1263 NH2 ARG A 90 -8.635 1.030 2.558 1.00 42.31 N ATOM 0 H ARG A 90 -6.770 -1.551 -2.543 1.00 13.42 H new ATOM 0 HA ARG A 90 -8.572 -0.277 -0.659 1.00 22.13 H new ATOM 0 HB2 ARG A 90 -10.080 -1.689 -2.071 1.00 11.01 H new ATOM 0 HB3 ARG A 90 -9.085 -3.088 -1.717 1.00 11.01 H new ATOM 0 HG2 ARG A 90 -11.101 -3.078 -0.328 1.00 4.05 H new ATOM 0 HG3 ARG A 90 -9.663 -2.946 0.665 1.00 4.05 H new ATOM 0 HD2 ARG A 90 -10.974 -0.391 -0.216 1.00 2.12 H new ATOM 0 HD3 ARG A 90 -11.801 -1.346 0.999 1.00 2.12 H new ATOM 0 HE ARG A 90 -9.741 -1.179 2.407 1.00 24.32 H new ATOM 0 HH11 ARG A 90 -10.040 1.051 -0.326 1.00 12.31 H new ATOM 0 HH12 ARG A 90 -9.059 2.299 0.449 1.00 12.31 H new ATOM 0 HH21 ARG A 90 -8.505 0.433 3.375 1.00 42.31 H new ATOM 0 HH22 ARG A 90 -8.198 1.951 2.525 1.00 42.31 H new ATOM 1277 N ILE A 91 -6.838 -1.079 0.897 1.00 74.21 N ATOM 1278 CA ILE A 91 -6.059 -1.603 2.006 1.00 1.11 C ATOM 1279 C ILE A 91 -6.996 -1.961 3.150 1.00 12.31 C ATOM 1280 O ILE A 91 -7.649 -1.088 3.730 1.00 41.13 O ATOM 1281 CB ILE A 91 -4.998 -0.587 2.500 1.00 15.11 C ATOM 1282 CG1 ILE A 91 -3.987 -0.282 1.380 1.00 62.14 C ATOM 1283 CG2 ILE A 91 -4.282 -1.113 3.748 1.00 23.25 C ATOM 1284 CD1 ILE A 91 -2.887 0.675 1.789 1.00 0.11 C ATOM 0 H ILE A 91 -7.021 -0.077 0.949 1.00 74.21 H new ATOM 0 HA ILE A 91 -5.529 -2.489 1.657 1.00 1.11 H new ATOM 0 HB ILE A 91 -5.506 0.339 2.768 1.00 15.11 H new ATOM 0 HG12 ILE A 91 -3.536 -1.217 1.047 1.00 62.14 H new ATOM 0 HG13 ILE A 91 -4.521 0.137 0.527 1.00 62.14 H new ATOM 0 HG21 ILE A 91 -3.542 -0.384 4.077 1.00 23.25 H new ATOM 0 HG22 ILE A 91 -5.009 -1.276 4.543 1.00 23.25 H new ATOM 0 HG23 ILE A 91 -3.785 -2.054 3.513 1.00 23.25 H new ATOM 0 HD11 ILE A 91 -2.216 0.839 0.946 1.00 0.11 H new ATOM 0 HD12 ILE A 91 -3.326 1.625 2.094 1.00 0.11 H new ATOM 0 HD13 ILE A 91 -2.326 0.250 2.622 1.00 0.11 H new ATOM 1296 N ASN A 92 -7.091 -3.246 3.447 1.00 62.41 N ATOM 1297 CA ASN A 92 -7.915 -3.715 4.552 1.00 1.10 C ATOM 1298 C ASN A 92 -7.074 -3.766 5.818 1.00 44.44 C ATOM 1299 O ASN A 92 -5.901 -4.139 5.776 1.00 73.41 O ATOM 1300 CB ASN A 92 -8.516 -5.097 4.249 1.00 24.01 C ATOM 1301 CG ASN A 92 -7.461 -6.161 3.996 1.00 62.12 C ATOM 1302 OD1 ASN A 92 -7.102 -6.431 2.853 1.00 73.34 O ATOM 1303 ND2 ASN A 92 -6.952 -6.758 5.061 1.00 71.23 N ATOM 0 H ASN A 92 -6.607 -3.986 2.938 1.00 62.41 H new ATOM 0 HA ASN A 92 -8.743 -3.020 4.693 1.00 1.10 H new ATOM 0 HB2 ASN A 92 -9.142 -5.406 5.086 1.00 24.01 H new ATOM 0 HB3 ASN A 92 -9.165 -5.022 3.376 1.00 24.01 H new ATOM 0 HD21 ASN A 92 -6.233 -7.473 4.950 1.00 71.23 H new ATOM 0 HD22 ASN A 92 -7.279 -6.504 5.993 1.00 71.23 H new ATOM 1310 N TRP A 93 -7.665 -3.370 6.937 1.00 42.52 N ATOM 1311 CA TRP A 93 -6.949 -3.318 8.206 1.00 34.45 C ATOM 1312 C TRP A 93 -7.410 -4.444 9.119 1.00 24.15 C ATOM 1313 O TRP A 93 -8.524 -4.408 9.646 1.00 13.24 O ATOM 1314 CB TRP A 93 -7.185 -1.962 8.886 1.00 62.44 C ATOM 1315 CG TRP A 93 -6.995 -0.796 7.961 1.00 33.43 C ATOM 1316 CD1 TRP A 93 -5.832 -0.128 7.704 1.00 63.34 C ATOM 1317 CD2 TRP A 93 -8.005 -0.164 7.166 1.00 44.03 C ATOM 1318 NE1 TRP A 93 -6.060 0.884 6.804 1.00 30.13 N ATOM 1319 CE2 TRP A 93 -7.385 0.880 6.457 1.00 4.50 C ATOM 1320 CE3 TRP A 93 -9.373 -0.382 6.984 1.00 64.25 C ATOM 1321 CZ2 TRP A 93 -8.087 1.707 5.584 1.00 3.44 C ATOM 1322 CZ3 TRP A 93 -10.069 0.438 6.118 1.00 5.23 C ATOM 1323 CH2 TRP A 93 -9.425 1.471 5.426 1.00 32.24 C ATOM 0 H TRP A 93 -8.641 -3.079 6.993 1.00 42.52 H new ATOM 0 HA TRP A 93 -5.883 -3.439 8.012 1.00 34.45 H new ATOM 0 HB2 TRP A 93 -8.197 -1.936 9.289 1.00 62.44 H new ATOM 0 HB3 TRP A 93 -6.503 -1.863 9.730 1.00 62.44 H new ATOM 0 HD1 TRP A 93 -4.874 -0.361 8.144 1.00 63.34 H new ATOM 0 HE1 TRP A 93 -5.357 1.533 6.451 1.00 30.13 H new ATOM 0 HE3 TRP A 93 -9.877 -1.178 7.512 1.00 64.25 H new ATOM 0 HZ2 TRP A 93 -7.593 2.506 5.051 1.00 3.44 H new ATOM 0 HZ3 TRP A 93 -11.127 0.280 5.972 1.00 5.23 H new ATOM 0 HH2 TRP A 93 -9.996 2.094 4.754 1.00 32.24 H new ATOM 1334 N VAL A 94 -6.565 -5.455 9.290 1.00 23.54 N ATOM 1335 CA VAL A 94 -6.880 -6.552 10.197 1.00 42.10 C ATOM 1336 C VAL A 94 -6.343 -6.259 11.591 1.00 21.23 C ATOM 1337 O VAL A 94 -5.152 -6.002 11.774 1.00 33.32 O ATOM 1338 CB VAL A 94 -6.324 -7.909 9.697 1.00 24.11 C ATOM 1339 CG1 VAL A 94 -7.088 -8.371 8.465 1.00 34.42 C ATOM 1340 CG2 VAL A 94 -4.826 -7.820 9.404 1.00 51.20 C ATOM 0 H VAL A 94 -5.665 -5.538 8.817 1.00 23.54 H new ATOM 0 HA VAL A 94 -7.966 -6.633 10.231 1.00 42.10 H new ATOM 0 HB VAL A 94 -6.463 -8.645 10.489 1.00 24.11 H new ATOM 0 HG11 VAL A 94 -6.687 -9.326 8.125 1.00 34.42 H new ATOM 0 HG12 VAL A 94 -8.143 -8.489 8.714 1.00 34.42 H new ATOM 0 HG13 VAL A 94 -6.983 -7.630 7.673 1.00 34.42 H new ATOM 0 HG21 VAL A 94 -4.465 -8.788 9.055 1.00 51.20 H new ATOM 0 HG22 VAL A 94 -4.650 -7.068 8.635 1.00 51.20 H new ATOM 0 HG23 VAL A 94 -4.293 -7.541 10.313 1.00 51.20 H new ATOM 1350 N TRP A 95 -7.233 -6.292 12.571 1.00 35.42 N ATOM 1351 CA TRP A 95 -6.855 -6.084 13.964 1.00 52.43 C ATOM 1352 C TRP A 95 -6.841 -7.423 14.684 1.00 4.30 C ATOM 1353 O TRP A 95 -5.913 -7.736 15.431 1.00 1.14 O ATOM 1354 CB TRP A 95 -7.840 -5.128 14.654 1.00 0.12 C ATOM 1355 CG TRP A 95 -8.187 -3.922 13.826 1.00 14.45 C ATOM 1356 CD1 TRP A 95 -9.396 -3.646 13.254 1.00 22.52 C ATOM 1357 CD2 TRP A 95 -7.313 -2.841 13.462 1.00 2.20 C ATOM 1358 NE1 TRP A 95 -9.334 -2.459 12.569 1.00 75.44 N ATOM 1359 CE2 TRP A 95 -8.067 -1.945 12.679 1.00 52.31 C ATOM 1360 CE3 TRP A 95 -5.971 -2.541 13.723 1.00 65.32 C ATOM 1361 CZ2 TRP A 95 -7.524 -0.770 12.161 1.00 73.14 C ATOM 1362 CZ3 TRP A 95 -5.433 -1.377 13.204 1.00 2.22 C ATOM 1363 CH2 TRP A 95 -6.208 -0.504 12.431 1.00 34.11 C ATOM 0 H TRP A 95 -8.229 -6.462 12.428 1.00 35.42 H new ATOM 0 HA TRP A 95 -5.862 -5.637 14.000 1.00 52.43 H new ATOM 0 HB2 TRP A 95 -8.755 -5.671 14.891 1.00 0.12 H new ATOM 0 HB3 TRP A 95 -7.411 -4.798 15.600 1.00 0.12 H new ATOM 0 HD1 TRP A 95 -10.273 -4.271 13.330 1.00 22.52 H new ATOM 0 HE1 TRP A 95 -10.106 -2.028 12.060 1.00 75.44 H new ATOM 0 HE3 TRP A 95 -5.366 -3.207 14.320 1.00 65.32 H new ATOM 0 HZ2 TRP A 95 -8.120 -0.093 11.567 1.00 73.14 H new ATOM 0 HZ3 TRP A 95 -4.398 -1.138 13.398 1.00 2.22 H new ATOM 0 HH2 TRP A 95 -5.759 0.397 12.040 1.00 34.11 H new ATOM 1374 N ASN A 96 -7.878 -8.210 14.405 1.00 1.33 N ATOM 1375 CA ASN A 96 -8.110 -9.520 15.022 1.00 52.21 C ATOM 1376 C ASN A 96 -9.156 -10.291 14.205 1.00 75.02 C ATOM 1377 O ASN A 96 -8.941 -11.462 13.877 1.00 71.55 O ATOM 1378 CB ASN A 96 -8.571 -9.395 16.493 1.00 21.25 C ATOM 1379 CG ASN A 96 -7.448 -9.082 17.472 1.00 43.40 C ATOM 1380 OD1 ASN A 96 -7.641 -8.333 18.432 1.00 31.05 O ATOM 1381 ND2 ASN A 96 -6.275 -9.666 17.259 1.00 13.32 N ATOM 0 H ASN A 96 -8.597 -7.952 13.730 1.00 1.33 H new ATOM 0 HA ASN A 96 -7.165 -10.063 15.024 1.00 52.21 H new ATOM 0 HB2 ASN A 96 -9.326 -8.612 16.561 1.00 21.25 H new ATOM 0 HB3 ASN A 96 -9.051 -10.327 16.793 1.00 21.25 H new ATOM 0 HD21 ASN A 96 -5.499 -9.500 17.900 1.00 13.32 H new ATOM 0 HD22 ASN A 96 -6.150 -10.280 16.454 1.00 13.32 H new ATOM 1388 N PRO A 97 -10.315 -9.659 13.869 1.00 14.42 N ATOM 1389 CA PRO A 97 -11.313 -10.269 12.971 1.00 34.41 C ATOM 1390 C PRO A 97 -10.753 -10.466 11.557 1.00 63.10 C ATOM 1391 O PRO A 97 -9.723 -9.882 11.210 1.00 54.24 O ATOM 1392 CB PRO A 97 -12.476 -9.253 12.965 1.00 22.13 C ATOM 1393 CG PRO A 97 -12.257 -8.408 14.172 1.00 65.52 C ATOM 1394 CD PRO A 97 -10.771 -8.333 14.346 1.00 72.34 C ATOM 0 HA PRO A 97 -11.617 -11.261 13.304 1.00 34.41 H new ATOM 0 HB2 PRO A 97 -12.470 -8.652 12.056 1.00 22.13 H new ATOM 0 HB3 PRO A 97 -13.441 -9.758 13.007 1.00 22.13 H new ATOM 0 HG2 PRO A 97 -12.687 -7.415 14.039 1.00 65.52 H new ATOM 0 HG3 PRO A 97 -12.733 -8.846 15.049 1.00 65.52 H new ATOM 0 HD2 PRO A 97 -10.336 -7.522 13.762 1.00 72.34 H new ATOM 0 HD3 PRO A 97 -10.494 -8.161 15.386 1.00 72.34 H new ATOM 1402 N PRO A 98 -11.424 -11.286 10.720 1.00 71.11 N ATOM 1403 CA PRO A 98 -10.962 -11.573 9.355 1.00 75.41 C ATOM 1404 C PRO A 98 -11.226 -10.422 8.377 1.00 50.14 C ATOM 1405 O PRO A 98 -11.772 -9.378 8.745 1.00 51.32 O ATOM 1406 CB PRO A 98 -11.787 -12.805 8.970 1.00 42.21 C ATOM 1407 CG PRO A 98 -13.062 -12.643 9.725 1.00 62.12 C ATOM 1408 CD PRO A 98 -12.681 -12.002 11.037 1.00 62.00 C ATOM 0 HA PRO A 98 -9.883 -11.722 9.313 1.00 75.41 H new ATOM 0 HB2 PRO A 98 -11.963 -12.846 7.895 1.00 42.21 H new ATOM 0 HB3 PRO A 98 -11.276 -13.728 9.245 1.00 42.21 H new ATOM 0 HG2 PRO A 98 -13.766 -12.019 9.175 1.00 62.12 H new ATOM 0 HG3 PRO A 98 -13.547 -13.606 9.886 1.00 62.12 H new ATOM 0 HD2 PRO A 98 -13.454 -11.319 11.389 1.00 62.00 H new ATOM 0 HD3 PRO A 98 -12.533 -12.746 11.819 1.00 62.00 H new ATOM 1416 N TRP A 99 -10.838 -10.639 7.123 1.00 31.04 N ATOM 1417 CA TRP A 99 -10.992 -9.645 6.067 1.00 32.44 C ATOM 1418 C TRP A 99 -12.464 -9.533 5.665 1.00 33.23 C ATOM 1419 O TRP A 99 -13.026 -10.462 5.085 1.00 23.33 O ATOM 1420 CB TRP A 99 -10.127 -10.048 4.864 1.00 42.42 C ATOM 1421 CG TRP A 99 -8.746 -10.475 5.269 1.00 35.43 C ATOM 1422 CD1 TRP A 99 -7.684 -9.669 5.539 1.00 74.43 C ATOM 1423 CD2 TRP A 99 -8.284 -11.819 5.464 1.00 54.51 C ATOM 1424 NE1 TRP A 99 -6.599 -10.420 5.908 1.00 50.21 N ATOM 1425 CE2 TRP A 99 -6.937 -11.743 5.860 1.00 14.45 C ATOM 1426 CE3 TRP A 99 -8.881 -13.078 5.346 1.00 61.33 C ATOM 1427 CZ2 TRP A 99 -6.176 -12.876 6.137 1.00 31.44 C ATOM 1428 CZ3 TRP A 99 -8.125 -14.202 5.619 1.00 10.31 C ATOM 1429 CH2 TRP A 99 -6.784 -14.094 6.012 1.00 14.14 C ATOM 0 H TRP A 99 -10.408 -11.510 6.811 1.00 31.04 H new ATOM 0 HA TRP A 99 -10.664 -8.670 6.428 1.00 32.44 H new ATOM 0 HB2 TRP A 99 -10.613 -10.862 4.327 1.00 42.42 H new ATOM 0 HB3 TRP A 99 -10.057 -9.208 4.173 1.00 42.42 H new ATOM 0 HD1 TRP A 99 -7.695 -8.591 5.472 1.00 74.43 H new ATOM 0 HE1 TRP A 99 -5.686 -10.051 6.175 1.00 50.21 H new ATOM 0 HE3 TRP A 99 -9.915 -13.170 5.047 1.00 61.33 H new ATOM 0 HZ2 TRP A 99 -5.142 -12.795 6.440 1.00 31.44 H new ATOM 0 HZ3 TRP A 99 -8.575 -15.180 5.528 1.00 10.31 H new ATOM 0 HH2 TRP A 99 -6.220 -14.991 6.220 1.00 14.14 H new ATOM 1440 N GLY A 100 -13.081 -8.397 5.964 1.00 32.14 N ATOM 1441 CA GLY A 100 -14.509 -8.243 5.749 1.00 11.24 C ATOM 1442 C GLY A 100 -14.849 -6.914 5.109 1.00 64.03 C ATOM 1443 O GLY A 100 -14.431 -6.656 3.982 1.00 34.54 O ATOM 0 H GLY A 100 -12.617 -7.576 6.353 1.00 32.14 H new ATOM 0 HA2 GLY A 100 -14.869 -9.053 5.115 1.00 11.24 H new ATOM 0 HA3 GLY A 100 -15.030 -8.329 6.702 1.00 11.24 H new ATOM 1447 N PRO A 101 -15.584 -6.038 5.816 1.00 51.25 N ATOM 1448 CA PRO A 101 -16.001 -4.731 5.281 1.00 50.54 C ATOM 1449 C PRO A 101 -14.806 -3.866 4.882 1.00 32.24 C ATOM 1450 O PRO A 101 -14.914 -2.996 4.022 1.00 61.41 O ATOM 1451 CB PRO A 101 -16.774 -4.092 6.444 1.00 50.41 C ATOM 1452 CG PRO A 101 -17.179 -5.242 7.310 1.00 1.51 C ATOM 1453 CD PRO A 101 -16.070 -6.249 7.192 1.00 62.40 C ATOM 0 HA PRO A 101 -16.595 -4.831 4.372 1.00 50.54 H new ATOM 0 HB2 PRO A 101 -16.151 -3.384 6.992 1.00 50.41 H new ATOM 0 HB3 PRO A 101 -17.644 -3.541 6.086 1.00 50.41 H new ATOM 0 HG2 PRO A 101 -17.312 -4.925 8.344 1.00 1.51 H new ATOM 0 HG3 PRO A 101 -18.128 -5.665 6.981 1.00 1.51 H new ATOM 0 HD2 PRO A 101 -15.286 -6.076 7.929 1.00 62.40 H new ATOM 0 HD3 PRO A 101 -16.430 -7.267 7.343 1.00 62.40 H new ATOM 1461 N ASP A 102 -13.660 -4.139 5.505 1.00 54.44 N ATOM 1462 CA ASP A 102 -12.413 -3.425 5.211 1.00 34.24 C ATOM 1463 C ASP A 102 -12.009 -3.607 3.750 1.00 72.03 C ATOM 1464 O ASP A 102 -11.124 -2.914 3.247 1.00 31.31 O ATOM 1465 CB ASP A 102 -11.282 -3.934 6.112 1.00 3.31 C ATOM 1466 CG ASP A 102 -11.627 -3.845 7.585 1.00 54.01 C ATOM 1467 OD1 ASP A 102 -11.219 -2.869 8.243 1.00 30.11 O ATOM 1468 OD2 ASP A 102 -12.320 -4.756 8.089 1.00 62.51 O ATOM 0 H ASP A 102 -13.567 -4.857 6.224 1.00 54.44 H new ATOM 0 HA ASP A 102 -12.585 -2.366 5.402 1.00 34.24 H new ATOM 0 HB2 ASP A 102 -11.057 -4.970 5.857 1.00 3.31 H new ATOM 0 HB3 ASP A 102 -10.379 -3.355 5.918 1.00 3.31 H new ATOM 1473 N LYS A 103 -12.656 -4.559 3.079 1.00 72.32 N ATOM 1474 CA LYS A 103 -12.377 -4.852 1.677 1.00 4.23 C ATOM 1475 C LYS A 103 -13.219 -3.969 0.747 1.00 24.53 C ATOM 1476 O LYS A 103 -13.206 -4.157 -0.468 1.00 0.24 O ATOM 1477 CB LYS A 103 -12.639 -6.338 1.374 1.00 41.13 C ATOM 1478 CG LYS A 103 -11.778 -7.311 2.181 1.00 54.23 C ATOM 1479 CD LYS A 103 -11.741 -8.707 1.551 1.00 55.14 C ATOM 1480 CE LYS A 103 -13.132 -9.248 1.216 1.00 75.21 C ATOM 1481 NZ LYS A 103 -13.972 -9.472 2.422 1.00 1.00 N ATOM 0 H LYS A 103 -13.383 -5.144 3.490 1.00 72.32 H new ATOM 0 HA LYS A 103 -11.325 -4.633 1.495 1.00 4.23 H new ATOM 0 HB2 LYS A 103 -13.689 -6.556 1.568 1.00 41.13 H new ATOM 0 HB3 LYS A 103 -12.467 -6.515 0.312 1.00 41.13 H new ATOM 0 HG2 LYS A 103 -10.763 -6.920 2.255 1.00 54.23 H new ATOM 0 HG3 LYS A 103 -12.167 -7.382 3.197 1.00 54.23 H new ATOM 0 HD2 LYS A 103 -11.141 -8.673 0.641 1.00 55.14 H new ATOM 0 HD3 LYS A 103 -11.244 -9.395 2.235 1.00 55.14 H new ATOM 0 HE2 LYS A 103 -13.638 -8.548 0.552 1.00 75.21 H new ATOM 0 HE3 LYS A 103 -13.030 -10.187 0.671 1.00 75.21 H new ATOM 0 HZ1 LYS A 103 -14.770 -10.093 2.179 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 -13.399 -9.920 3.166 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 -14.335 -8.560 2.766 1.00 1.00 H new