USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 710 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 74 ASN : amide:sc= 0.181 K(o=2.1,f=1.1) USER MOD Set 1.2: A 78 THR OG1 : rot -49:sc= 1.97 USER MOD Set 2.1: A 19 TYR OH : rot 153:sc= 0.273 USER MOD Set 2.2: A 104 ASN : amide:sc= 0.259 K(o=0.53,f=-0.28) USER MOD Single : A 14 SER OG : rot 180:sc= 0.142 USER MOD Single : A 17 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.16) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0883 X(o=-0.088,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -56:sc= 0.984 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 37:sc= 0.0175 USER MOD Single : A 60 ASN : amide:sc= -0.215 K(o=-0.22,f=-0.97) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 79 TYR OH : rot 180:sc= 0.338 USER MOD Single : A 83 TYR OH : rot 21:sc= 0.869 USER MOD Single : A 90 ASN : amide:sc= 1.03 K(o=1,f=-4.6!) USER MOD Single : A 91 TYR OH : rot -174:sc= 0.892 USER MOD Single : A 92 ASN : amide:sc= -0.0573 X(o=-0.057,f=0) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0868 USER MOD Single : A 100 ASN : amide:sc=-0.00194 X(o=-0.0019,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -179:sc= -0.0278 (180deg=-0.028) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 CYS SG : rot -129:sc= -1.6! USER MOD ----------------------------------------------------------------- ATOM 165 N PRO A 11 -12.619 3.383 -17.414 1.00 0.00 N ATOM 166 CA PRO A 11 -12.176 4.580 -16.733 1.00 0.00 C ATOM 167 C PRO A 11 -10.954 4.249 -15.898 1.00 0.00 C ATOM 168 O PRO A 11 -10.480 3.114 -15.834 1.00 0.00 O ATOM 169 CB PRO A 11 -13.383 4.929 -15.857 1.00 0.00 C ATOM 170 CG PRO A 11 -13.956 3.578 -15.436 1.00 0.00 C ATOM 171 CD PRO A 11 -13.543 2.647 -16.579 1.00 0.00 C ATOM 0 HA PRO A 11 -11.886 5.402 -17.388 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.087 5.521 -14.991 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.117 5.516 -16.409 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.547 3.248 -14.481 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.039 3.619 -15.322 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.074 1.743 -16.190 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.414 2.332 -17.153 1.00 0.00 H new ATOM 179 N ALA A 12 -10.388 5.291 -15.270 1.00 0.00 N ATOM 180 CA ALA A 12 -9.198 5.163 -14.456 1.00 0.00 C ATOM 181 C ALA A 12 -9.577 5.482 -13.012 1.00 0.00 C ATOM 182 O ALA A 12 -10.556 6.183 -12.791 1.00 0.00 O ATOM 183 CB ALA A 12 -8.094 6.101 -14.939 1.00 0.00 C ATOM 0 H ALA A 12 -10.753 6.242 -15.321 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.811 4.147 -14.531 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.213 5.982 -14.308 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.837 5.860 -15.970 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.443 7.132 -14.884 1.00 0.00 H new ATOM 189 N PRO A 13 -8.776 5.097 -12.019 1.00 0.00 N ATOM 190 CA PRO A 13 -9.006 5.550 -10.667 1.00 0.00 C ATOM 191 C PRO A 13 -9.146 7.049 -10.488 1.00 0.00 C ATOM 192 O PRO A 13 -8.709 7.827 -11.342 1.00 0.00 O ATOM 193 CB PRO A 13 -7.743 5.017 -10.003 1.00 0.00 C ATOM 194 CG PRO A 13 -7.423 3.691 -10.698 1.00 0.00 C ATOM 195 CD PRO A 13 -7.658 4.175 -12.128 1.00 0.00 C ATOM 0 HA PRO A 13 -9.957 5.205 -10.261 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.919 5.722 -10.111 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.898 4.869 -8.934 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.404 3.348 -10.522 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.088 2.879 -10.404 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.774 4.669 -12.531 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.891 3.345 -12.795 1.00 0.00 H new ATOM 203 N SER A 14 -9.618 7.514 -9.336 1.00 0.00 N ATOM 204 CA SER A 14 -9.431 8.873 -8.875 1.00 0.00 C ATOM 205 C SER A 14 -9.004 8.819 -7.411 1.00 0.00 C ATOM 206 O SER A 14 -9.331 7.868 -6.724 1.00 0.00 O ATOM 207 CB SER A 14 -10.771 9.599 -8.997 1.00 0.00 C ATOM 208 OG SER A 14 -10.714 10.914 -8.487 1.00 0.00 O ATOM 0 H SER A 14 -10.153 6.938 -8.686 1.00 0.00 H new ATOM 0 HA SER A 14 -8.674 9.394 -9.460 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.071 9.630 -10.044 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.537 9.037 -8.463 1.00 0.00 H new ATOM 0 HG SER A 14 -11.590 11.342 -8.586 1.00 0.00 H new ATOM 214 N ALA A 15 -8.215 9.814 -7.004 1.00 0.00 N ATOM 215 CA ALA A 15 -7.863 10.251 -5.663 1.00 0.00 C ATOM 216 C ALA A 15 -9.094 10.384 -4.782 1.00 0.00 C ATOM 217 O ALA A 15 -9.034 10.127 -3.577 1.00 0.00 O ATOM 218 CB ALA A 15 -7.081 11.541 -5.899 1.00 0.00 C ATOM 0 H ALA A 15 -7.753 10.402 -7.698 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.255 9.540 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.766 11.956 -4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.203 11.328 -6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.715 12.261 -6.416 1.00 0.00 H new ATOM 224 N GLU A 16 -10.235 10.768 -5.360 1.00 0.00 N ATOM 225 CA GLU A 16 -11.515 10.844 -4.673 1.00 0.00 C ATOM 226 C GLU A 16 -12.074 9.488 -4.253 1.00 0.00 C ATOM 227 O GLU A 16 -12.976 9.425 -3.412 1.00 0.00 O ATOM 228 CB GLU A 16 -12.506 11.502 -5.615 1.00 0.00 C ATOM 229 CG GLU A 16 -12.143 12.974 -5.773 1.00 0.00 C ATOM 230 CD GLU A 16 -13.162 13.714 -6.637 1.00 0.00 C ATOM 231 OE1 GLU A 16 -14.023 14.401 -6.051 1.00 0.00 O ATOM 232 OE2 GLU A 16 -13.058 13.701 -7.884 1.00 0.00 O1- ATOM 0 H GLU A 16 -10.290 11.040 -6.342 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.359 11.413 -3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.490 11.005 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.519 11.404 -5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.089 13.443 -4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.154 13.059 -6.222 1.00 0.00 H new ATOM 239 N HIS A 17 -11.592 8.420 -4.880 1.00 0.00 N ATOM 240 CA HIS A 17 -12.205 7.112 -4.988 1.00 0.00 C ATOM 241 C HIS A 17 -11.290 5.904 -4.897 1.00 0.00 C ATOM 242 O HIS A 17 -11.767 4.796 -5.152 1.00 0.00 O ATOM 243 CB HIS A 17 -13.119 7.007 -6.205 1.00 0.00 C ATOM 244 CG HIS A 17 -14.149 8.094 -6.323 1.00 0.00 C ATOM 245 ND1 HIS A 17 -15.127 8.328 -5.372 1.00 0.00 N ATOM 246 CD2 HIS A 17 -14.328 8.966 -7.376 1.00 0.00 C ATOM 247 CE1 HIS A 17 -15.797 9.391 -5.847 1.00 0.00 C ATOM 248 NE2 HIS A 17 -15.377 9.817 -7.035 1.00 0.00 N ATOM 0 H HIS A 17 -10.693 8.455 -5.361 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.794 7.059 -4.072 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.503 7.012 -7.104 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -13.630 6.045 -6.174 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.760 8.986 -8.295 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.608 9.860 -5.310 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.744 10.598 -7.579 1.00 0.00 H new ATOM 256 N SER A 18 -10.044 6.038 -4.434 1.00 0.00 N ATOM 257 CA SER A 18 -9.147 4.914 -4.263 1.00 0.00 C ATOM 258 C SER A 18 -8.377 5.181 -2.978 1.00 0.00 C ATOM 259 O SER A 18 -7.981 6.302 -2.676 1.00 0.00 O ATOM 260 CB SER A 18 -8.338 4.644 -5.523 1.00 0.00 C ATOM 261 OG SER A 18 -7.437 3.580 -5.334 1.00 0.00 O ATOM 0 H SER A 18 -9.637 6.935 -4.169 1.00 0.00 H new ATOM 0 HA SER A 18 -9.662 3.961 -4.138 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.012 4.411 -6.347 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.789 5.543 -5.805 1.00 0.00 H new ATOM 0 HG SER A 18 -6.932 3.428 -6.160 1.00 0.00 H new ATOM 267 N TYR A 19 -8.429 4.183 -2.085 1.00 0.00 N ATOM 268 CA TYR A 19 -8.156 4.191 -0.663 1.00 0.00 C ATOM 269 C TYR A 19 -7.652 2.811 -0.249 1.00 0.00 C ATOM 270 O TYR A 19 -7.807 1.880 -1.035 1.00 0.00 O ATOM 271 CB TYR A 19 -9.346 4.734 0.106 1.00 0.00 C ATOM 272 CG TYR A 19 -9.600 6.181 -0.225 1.00 0.00 C ATOM 273 CD1 TYR A 19 -10.778 6.541 -0.885 1.00 0.00 C ATOM 274 CD2 TYR A 19 -8.699 7.177 0.188 1.00 0.00 C ATOM 275 CE1 TYR A 19 -11.124 7.895 -0.962 1.00 0.00 C ATOM 276 CE2 TYR A 19 -9.015 8.539 0.085 1.00 0.00 C ATOM 277 CZ TYR A 19 -10.247 8.898 -0.498 1.00 0.00 C ATOM 278 OH TYR A 19 -10.548 10.225 -0.550 1.00 0.00 O ATOM 0 H TYR A 19 -8.696 3.247 -2.390 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.352 4.881 -0.408 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.232 4.145 -0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.168 4.630 1.176 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.411 5.787 -1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.741 6.887 0.594 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.078 8.177 -1.383 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.331 9.294 0.443 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.070 10.697 0.163 1.00 0.00 H new ATOM 288 N ALA A 20 -6.935 2.718 0.875 1.00 0.00 N ATOM 289 CA ALA A 20 -6.316 1.495 1.341 1.00 0.00 C ATOM 290 C ALA A 20 -6.486 1.111 2.804 1.00 0.00 C ATOM 291 O ALA A 20 -6.485 2.012 3.632 1.00 0.00 O ATOM 292 CB ALA A 20 -4.859 1.484 0.861 1.00 0.00 C ATOM 0 H ALA A 20 -6.771 3.513 1.492 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.885 0.683 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.371 0.570 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.834 1.525 -0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.335 2.348 1.269 1.00 0.00 H new ATOM 298 N GLU A 21 -6.511 -0.197 3.079 1.00 0.00 N ATOM 299 CA GLU A 21 -6.481 -0.784 4.406 1.00 0.00 C ATOM 300 C GLU A 21 -5.755 -2.103 4.637 1.00 0.00 C ATOM 301 O GLU A 21 -5.698 -2.896 3.710 1.00 0.00 O ATOM 302 CB GLU A 21 -7.904 -0.911 4.928 1.00 0.00 C ATOM 303 CG GLU A 21 -8.781 -1.763 4.019 1.00 0.00 C ATOM 304 CD GLU A 21 -10.176 -1.729 4.633 1.00 0.00 C ATOM 305 OE1 GLU A 21 -10.658 -2.801 5.055 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.854 -0.694 4.765 1.00 0.00 O1- ATOM 0 H GLU A 21 -6.555 -0.901 2.342 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.858 -0.076 4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.885 -1.350 5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.343 0.082 5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.791 -1.367 3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.405 -2.784 3.959 1.00 0.00 H new ATOM 313 N GLY A 22 -5.134 -2.321 5.806 1.00 0.00 N ATOM 314 CA GLY A 22 -4.528 -3.571 6.215 1.00 0.00 C ATOM 315 C GLY A 22 -3.390 -3.434 7.218 1.00 0.00 C ATOM 316 O GLY A 22 -2.967 -2.339 7.590 1.00 0.00 O ATOM 0 H GLY A 22 -5.043 -1.592 6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.300 -4.208 6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.152 -4.083 5.329 1.00 0.00 H new ATOM 320 N GLU A 23 -2.782 -4.527 7.675 1.00 0.00 N ATOM 321 CA GLU A 23 -1.641 -4.523 8.572 1.00 0.00 C ATOM 322 C GLU A 23 -0.386 -3.815 8.098 1.00 0.00 C ATOM 323 O GLU A 23 0.382 -3.250 8.890 1.00 0.00 O ATOM 324 CB GLU A 23 -1.252 -5.952 8.947 1.00 0.00 C ATOM 325 CG GLU A 23 -0.498 -6.025 10.274 1.00 0.00 C ATOM 326 CD GLU A 23 -0.177 -7.432 10.739 1.00 0.00 C ATOM 327 OE1 GLU A 23 -0.913 -7.914 11.633 1.00 0.00 O ATOM 328 OE2 GLU A 23 0.728 -8.074 10.168 1.00 0.00 O1- ATOM 0 H GLU A 23 -3.084 -5.467 7.420 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.006 -3.941 9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.151 -6.565 9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.632 -6.375 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.433 -5.466 10.179 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.091 -5.529 11.042 1.00 0.00 H new ATOM 335 N GLY A 24 -0.122 -3.825 6.791 1.00 0.00 N ATOM 336 CA GLY A 24 0.905 -3.043 6.139 1.00 0.00 C ATOM 337 C GLY A 24 0.651 -1.543 6.068 1.00 0.00 C ATOM 338 O GLY A 24 1.545 -0.799 5.688 1.00 0.00 O ATOM 0 H GLY A 24 -0.646 -4.407 6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.848 -3.209 6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.032 -3.419 5.124 1.00 0.00 H new ATOM 342 N LEU A 25 -0.366 -1.025 6.770 1.00 0.00 N ATOM 343 CA LEU A 25 -0.512 0.331 7.266 1.00 0.00 C ATOM 344 C LEU A 25 -0.747 0.386 8.768 1.00 0.00 C ATOM 345 O LEU A 25 -1.380 1.285 9.303 1.00 0.00 O ATOM 346 CB LEU A 25 -1.669 0.945 6.490 1.00 0.00 C ATOM 347 CG LEU A 25 -1.461 1.226 4.997 1.00 0.00 C ATOM 348 CD1 LEU A 25 -2.746 1.712 4.346 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.194 2.063 4.824 1.00 0.00 C ATOM 0 H LEU A 25 -1.170 -1.600 7.021 1.00 0.00 H new ATOM 0 HA LEU A 25 0.410 0.892 7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.528 0.281 6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.935 1.885 6.974 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.260 0.320 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.568 1.903 3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.518 0.950 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.074 2.632 4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.036 2.269 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.302 3.003 5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.661 1.514 5.219 1.00 0.00 H new ATOM 361 N VAL A 26 -0.199 -0.586 9.512 1.00 0.00 N ATOM 362 CA VAL A 26 -0.225 -0.658 10.956 1.00 0.00 C ATOM 363 C VAL A 26 1.131 -1.123 11.471 1.00 0.00 C ATOM 364 O VAL A 26 1.726 -0.399 12.262 1.00 0.00 O ATOM 365 CB VAL A 26 -1.330 -1.529 11.547 1.00 0.00 C ATOM 366 CG1 VAL A 26 -1.217 -1.598 13.064 1.00 0.00 C ATOM 367 CG2 VAL A 26 -2.733 -0.994 11.306 1.00 0.00 C ATOM 0 H VAL A 26 0.294 -1.373 9.091 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.451 0.354 11.291 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.194 -2.491 11.053 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.016 -2.225 13.460 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.252 -2.024 13.338 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.302 -0.595 13.481 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.462 -1.668 11.756 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.828 -0.005 11.755 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.917 -0.924 10.234 1.00 0.00 H new ATOM 377 N LYS A 27 1.648 -2.325 11.188 1.00 0.00 N ATOM 378 CA LYS A 27 2.866 -2.843 11.781 1.00 0.00 C ATOM 379 C LYS A 27 3.722 -3.698 10.857 1.00 0.00 C ATOM 380 O LYS A 27 3.110 -4.550 10.219 1.00 0.00 O ATOM 381 CB LYS A 27 2.673 -3.444 13.163 1.00 0.00 C ATOM 382 CG LYS A 27 1.880 -4.748 13.019 1.00 0.00 C ATOM 383 CD LYS A 27 1.933 -5.416 14.392 1.00 0.00 C ATOM 384 CE LYS A 27 1.187 -6.735 14.257 1.00 0.00 C ATOM 385 NZ LYS A 27 0.709 -7.104 15.599 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.216 -2.970 10.526 1.00 0.00 H new ATOM 0 HA LYS A 27 3.469 -1.949 11.939 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.639 -3.637 13.630 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.140 -2.746 13.809 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.851 -4.550 12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.317 -5.390 12.254 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.964 -5.583 14.703 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.470 -4.784 15.150 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.351 -6.635 13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.842 -7.508 13.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.192 -8.005 15.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.521 -7.207 16.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.076 -6.361 15.958 1.00 0.00 H new ATOM 399 N VAL A 28 5.015 -3.397 10.829 1.00 0.00 N ATOM 400 CA VAL A 28 5.990 -3.999 9.940 1.00 0.00 C ATOM 401 C VAL A 28 7.226 -4.474 10.676 1.00 0.00 C ATOM 402 O VAL A 28 7.573 -3.805 11.650 1.00 0.00 O ATOM 403 CB VAL A 28 6.416 -3.158 8.747 1.00 0.00 C ATOM 404 CG1 VAL A 28 7.065 -4.042 7.684 1.00 0.00 C ATOM 405 CG2 VAL A 28 5.250 -2.329 8.218 1.00 0.00 C ATOM 0 H VAL A 28 5.424 -2.700 11.451 1.00 0.00 H new ATOM 0 HA VAL A 28 5.441 -4.848 9.533 1.00 0.00 H new ATOM 0 HB VAL A 28 7.173 -2.440 9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.366 -3.429 6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.942 -4.533 8.105 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.351 -4.796 7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.582 -1.737 7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.443 -2.993 7.907 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.890 -1.664 9.003 1.00 0.00 H new ATOM 415 N PHE A 29 7.846 -5.569 10.212 1.00 0.00 N ATOM 416 CA PHE A 29 9.069 -6.071 10.805 1.00 0.00 C ATOM 417 C PHE A 29 10.133 -6.592 9.849 1.00 0.00 C ATOM 418 O PHE A 29 9.938 -6.546 8.636 1.00 0.00 O ATOM 419 CB PHE A 29 8.611 -7.186 11.739 1.00 0.00 C ATOM 420 CG PHE A 29 7.384 -7.038 12.620 1.00 0.00 C ATOM 421 CD1 PHE A 29 7.572 -6.724 13.973 1.00 0.00 C ATOM 422 CD2 PHE A 29 6.094 -7.394 12.216 1.00 0.00 C ATOM 423 CE1 PHE A 29 6.560 -6.917 14.916 1.00 0.00 C ATOM 424 CE2 PHE A 29 5.064 -7.527 13.149 1.00 0.00 C ATOM 425 CZ PHE A 29 5.273 -7.310 14.512 1.00 0.00 C ATOM 0 H PHE A 29 7.508 -6.119 9.422 1.00 0.00 H new ATOM 0 HA PHE A 29 9.579 -5.239 11.291 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.450 -8.069 11.121 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.449 -7.408 12.400 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.522 -6.323 14.294 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.892 -7.568 11.170 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.768 -6.763 15.964 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.078 -7.805 12.807 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.476 -7.439 15.229 1.00 0.00 H new ATOM 435 N ASP A 30 11.303 -7.077 10.250 1.00 0.00 N ATOM 436 CA ASP A 30 12.371 -7.332 9.296 1.00 0.00 C ATOM 437 C ASP A 30 12.237 -8.671 8.574 1.00 0.00 C ATOM 438 O ASP A 30 12.314 -8.658 7.341 1.00 0.00 O ATOM 439 CB ASP A 30 13.639 -7.382 10.150 1.00 0.00 C ATOM 440 CG ASP A 30 14.943 -7.266 9.369 1.00 0.00 C ATOM 441 OD1 ASP A 30 16.003 -7.248 10.031 1.00 0.00 O ATOM 442 OD2 ASP A 30 14.892 -7.090 8.133 1.00 0.00 O1- ATOM 0 H ASP A 30 11.533 -7.299 11.219 1.00 0.00 H new ATOM 0 HA ASP A 30 12.364 -6.565 8.522 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.598 -6.576 10.883 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.648 -8.319 10.707 1.00 0.00 H new ATOM 447 N ASN A 31 11.828 -9.687 9.328 1.00 0.00 N ATOM 448 CA ASN A 31 11.591 -11.042 8.874 1.00 0.00 C ATOM 449 C ASN A 31 10.103 -11.384 8.771 1.00 0.00 C ATOM 450 O ASN A 31 9.721 -12.509 8.468 1.00 0.00 O ATOM 451 CB ASN A 31 12.408 -12.031 9.705 1.00 0.00 C ATOM 452 CG ASN A 31 13.903 -11.794 9.577 1.00 0.00 C ATOM 453 OD1 ASN A 31 14.633 -12.428 8.813 1.00 0.00 O ATOM 454 ND2 ASN A 31 14.398 -10.888 10.419 1.00 0.00 N ATOM 0 H ASN A 31 11.645 -9.575 10.325 1.00 0.00 H new ATOM 0 HA ASN A 31 11.947 -11.126 7.847 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.118 -11.949 10.752 1.00 0.00 H new ATOM 0 HB3 ASN A 31 12.175 -13.048 9.388 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.401 -10.707 10.441 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.773 -10.376 11.042 1.00 0.00 H new ATOM 461 N ALA A 32 9.241 -10.397 9.035 1.00 0.00 N ATOM 462 CA ALA A 32 7.812 -10.570 8.887 1.00 0.00 C ATOM 463 C ALA A 32 7.215 -9.445 8.037 1.00 0.00 C ATOM 464 O ALA A 32 6.895 -8.384 8.558 1.00 0.00 O ATOM 465 CB ALA A 32 7.047 -10.776 10.190 1.00 0.00 C ATOM 0 H ALA A 32 9.521 -9.469 9.353 1.00 0.00 H new ATOM 0 HA ALA A 32 7.686 -11.515 8.359 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.985 -10.896 9.974 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.418 -11.669 10.692 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.190 -9.910 10.837 1.00 0.00 H new ATOM 471 N PRO A 33 7.197 -9.710 6.730 1.00 0.00 N ATOM 472 CA PRO A 33 6.678 -8.700 5.823 1.00 0.00 C ATOM 473 C PRO A 33 5.187 -8.483 6.059 1.00 0.00 C ATOM 474 O PRO A 33 4.511 -9.443 6.406 1.00 0.00 O ATOM 475 CB PRO A 33 7.023 -9.099 4.390 1.00 0.00 C ATOM 476 CG PRO A 33 7.390 -10.581 4.479 1.00 0.00 C ATOM 477 CD PRO A 33 7.792 -10.778 5.937 1.00 0.00 C ATOM 0 HA PRO A 33 7.146 -7.734 6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.178 -8.940 3.720 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.853 -8.508 4.003 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.547 -11.217 4.208 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.208 -10.830 3.803 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.452 -11.750 6.295 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.877 -10.763 6.036 1.00 0.00 H new ATOM 485 N ALA A 34 4.687 -7.255 5.859 1.00 0.00 N ATOM 486 CA ALA A 34 3.317 -6.841 6.068 1.00 0.00 C ATOM 487 C ALA A 34 2.603 -6.598 4.742 1.00 0.00 C ATOM 488 O ALA A 34 3.250 -6.380 3.714 1.00 0.00 O ATOM 489 CB ALA A 34 3.239 -5.684 7.049 1.00 0.00 C ATOM 0 H ALA A 34 5.273 -6.489 5.528 1.00 0.00 H new ATOM 0 HA ALA A 34 2.768 -7.656 6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.198 -5.394 7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.660 -5.990 8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.803 -4.837 6.658 1.00 0.00 H new ATOM 495 N GLU A 35 1.269 -6.523 4.805 1.00 0.00 N ATOM 496 CA GLU A 35 0.438 -6.400 3.624 1.00 0.00 C ATOM 497 C GLU A 35 -0.730 -5.444 3.823 1.00 0.00 C ATOM 498 O GLU A 35 -1.161 -5.363 4.972 1.00 0.00 O ATOM 499 CB GLU A 35 -0.193 -7.708 3.170 1.00 0.00 C ATOM 500 CG GLU A 35 0.841 -8.832 3.201 1.00 0.00 C ATOM 501 CD GLU A 35 0.167 -10.047 2.572 1.00 0.00 C ATOM 502 OE1 GLU A 35 -0.188 -11.002 3.303 1.00 0.00 O ATOM 503 OE2 GLU A 35 0.099 -10.035 1.328 1.00 0.00 O1- ATOM 0 H GLU A 35 0.745 -6.547 5.680 1.00 0.00 H new ATOM 0 HA GLU A 35 1.141 -6.034 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.033 -7.959 3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.590 -7.597 2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.736 -8.553 2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.153 -9.046 4.223 1.00 0.00 H new ATOM 510 N PHE A 36 -1.210 -4.671 2.843 1.00 0.00 N ATOM 511 CA PHE A 36 -2.416 -3.872 2.914 1.00 0.00 C ATOM 512 C PHE A 36 -2.939 -3.709 1.499 1.00 0.00 C ATOM 513 O PHE A 36 -2.213 -3.958 0.536 1.00 0.00 O ATOM 514 CB PHE A 36 -2.112 -2.595 3.692 1.00 0.00 C ATOM 515 CG PHE A 36 -1.345 -1.603 2.840 1.00 0.00 C ATOM 516 CD1 PHE A 36 -2.088 -0.649 2.143 1.00 0.00 C ATOM 517 CD2 PHE A 36 0.049 -1.643 2.737 1.00 0.00 C ATOM 518 CE1 PHE A 36 -1.412 0.282 1.346 1.00 0.00 C ATOM 519 CE2 PHE A 36 0.675 -0.648 1.977 1.00 0.00 C ATOM 520 CZ PHE A 36 -0.019 0.327 1.253 1.00 0.00 C ATOM 0 H PHE A 36 -0.739 -4.589 1.942 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.229 -4.337 3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.044 -2.143 4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.532 -2.838 4.583 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.165 -0.630 2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.623 -2.415 3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.992 0.995 0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.754 -0.632 1.948 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.491 1.070 0.658 1.00 0.00 H new ATOM 530 N THR A 37 -4.179 -3.227 1.357 1.00 0.00 N ATOM 531 CA THR A 37 -5.034 -3.443 0.207 1.00 0.00 C ATOM 532 C THR A 37 -5.534 -2.094 -0.301 1.00 0.00 C ATOM 533 O THR A 37 -6.393 -1.449 0.292 1.00 0.00 O ATOM 534 CB THR A 37 -6.268 -4.290 0.476 1.00 0.00 C ATOM 535 OG1 THR A 37 -5.909 -5.576 0.933 1.00 0.00 O ATOM 536 CG2 THR A 37 -7.041 -4.544 -0.813 1.00 0.00 C ATOM 0 H THR A 37 -4.623 -2.654 2.075 1.00 0.00 H new ATOM 0 HA THR A 37 -4.415 -3.980 -0.512 1.00 0.00 H new ATOM 0 HB THR A 37 -6.856 -3.742 1.212 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.719 -6.101 1.101 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.920 -5.152 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.355 -3.593 -1.243 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.402 -5.070 -1.523 1.00 0.00 H new ATOM 544 N ILE A 38 -5.128 -1.749 -1.524 1.00 0.00 N ATOM 545 CA ILE A 38 -5.731 -0.718 -2.356 1.00 0.00 C ATOM 546 C ILE A 38 -7.144 -1.096 -2.805 1.00 0.00 C ATOM 547 O ILE A 38 -7.254 -1.896 -3.737 1.00 0.00 O ATOM 548 CB ILE A 38 -4.852 -0.071 -3.419 1.00 0.00 C ATOM 549 CG1 ILE A 38 -3.505 0.243 -2.779 1.00 0.00 C ATOM 550 CG2 ILE A 38 -5.626 1.172 -3.858 1.00 0.00 C ATOM 551 CD1 ILE A 38 -2.582 1.039 -3.695 1.00 0.00 C ATOM 0 H ILE A 38 -4.335 -2.203 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.840 0.133 -1.683 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.643 -0.694 -4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.668 0.805 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.015 -0.690 -2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.061 1.700 -4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.595 0.874 -4.260 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.775 1.829 -3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.639 1.231 -3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.392 0.469 -4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.055 1.987 -3.953 1.00 0.00 H new ATOM 563 N PHE A 39 -8.167 -0.617 -2.107 1.00 0.00 N ATOM 564 CA PHE A 39 -9.502 -0.705 -2.674 1.00 0.00 C ATOM 565 C PHE A 39 -9.789 0.438 -3.627 1.00 0.00 C ATOM 566 O PHE A 39 -10.089 1.582 -3.289 1.00 0.00 O ATOM 567 CB PHE A 39 -10.486 -0.839 -1.513 1.00 0.00 C ATOM 568 CG PHE A 39 -10.558 0.250 -0.481 1.00 0.00 C ATOM 569 CD1 PHE A 39 -11.664 1.101 -0.591 1.00 0.00 C ATOM 570 CD2 PHE A 39 -9.643 0.300 0.588 1.00 0.00 C ATOM 571 CE1 PHE A 39 -11.886 2.025 0.427 1.00 0.00 C ATOM 572 CE2 PHE A 39 -9.909 1.263 1.566 1.00 0.00 C ATOM 573 CZ PHE A 39 -11.002 2.135 1.521 1.00 0.00 C ATOM 0 H PHE A 39 -8.103 -0.182 -1.187 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.605 -1.587 -3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.483 -0.952 -1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.254 -1.768 -0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.327 1.043 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.792 -0.362 0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.751 2.670 0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.232 1.338 2.404 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.164 2.868 2.298 1.00 0.00 H new ATOM 583 N ALA A 40 -9.927 0.144 -4.922 1.00 0.00 N ATOM 584 CA ALA A 40 -9.945 1.110 -6.008 1.00 0.00 C ATOM 585 C ALA A 40 -11.305 1.116 -6.684 1.00 0.00 C ATOM 586 O ALA A 40 -11.809 0.083 -7.112 1.00 0.00 O ATOM 587 CB ALA A 40 -8.805 0.679 -6.925 1.00 0.00 C ATOM 0 H ALA A 40 -10.033 -0.816 -5.250 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.797 2.139 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.746 1.357 -7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.865 0.706 -6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.988 -0.335 -7.281 1.00 0.00 H new ATOM 593 N VAL A 41 -11.850 2.334 -6.763 1.00 0.00 N ATOM 594 CA VAL A 41 -13.073 2.678 -7.466 1.00 0.00 C ATOM 595 C VAL A 41 -12.741 3.839 -8.387 1.00 0.00 C ATOM 596 O VAL A 41 -11.872 4.682 -8.148 1.00 0.00 O ATOM 597 CB VAL A 41 -14.141 3.079 -6.448 1.00 0.00 C ATOM 598 CG1 VAL A 41 -15.438 3.701 -6.943 1.00 0.00 C ATOM 599 CG2 VAL A 41 -14.642 1.819 -5.755 1.00 0.00 C ATOM 0 H VAL A 41 -11.422 3.143 -6.312 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.458 1.838 -8.044 1.00 0.00 H new ATOM 0 HB VAL A 41 -13.610 3.827 -5.859 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -16.082 3.924 -6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.217 4.622 -7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -15.945 3.003 -7.609 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -15.406 2.085 -5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -15.068 1.142 -6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.811 1.327 -5.249 1.00 0.00 H new ATOM 609 N ASP A 42 -13.455 3.894 -9.512 1.00 0.00 N ATOM 610 CA ASP A 42 -13.492 4.999 -10.454 1.00 0.00 C ATOM 611 C ASP A 42 -14.391 6.177 -10.108 1.00 0.00 C ATOM 612 O ASP A 42 -13.956 7.281 -10.415 1.00 0.00 O ATOM 613 CB ASP A 42 -13.699 4.527 -11.895 1.00 0.00 C ATOM 614 CG ASP A 42 -14.870 3.563 -11.871 1.00 0.00 C ATOM 615 OD1 ASP A 42 -16.028 3.958 -11.633 1.00 0.00 O ATOM 616 OD2 ASP A 42 -14.661 2.326 -11.955 1.00 0.00 O1- ATOM 0 H ASP A 42 -14.055 3.122 -9.801 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.491 5.420 -10.360 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -13.905 5.371 -12.553 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.802 4.038 -12.275 1.00 0.00 H new ATOM 621 N THR A 43 -15.558 5.908 -9.524 1.00 0.00 N ATOM 622 CA THR A 43 -16.652 6.827 -9.277 1.00 0.00 C ATOM 623 C THR A 43 -17.660 6.427 -8.208 1.00 0.00 C ATOM 624 O THR A 43 -17.829 7.214 -7.278 1.00 0.00 O ATOM 625 CB THR A 43 -17.299 7.230 -10.604 1.00 0.00 C ATOM 626 OG1 THR A 43 -17.816 6.100 -11.275 1.00 0.00 O ATOM 627 CG2 THR A 43 -16.491 8.040 -11.614 1.00 0.00 C ATOM 0 H THR A 43 -15.773 4.969 -9.188 1.00 0.00 H new ATOM 0 HA THR A 43 -16.196 7.702 -8.814 1.00 0.00 H new ATOM 0 HB THR A 43 -18.063 7.924 -10.253 1.00 0.00 H new ATOM 0 HG1 THR A 43 -17.102 5.442 -11.406 1.00 0.00 H new ATOM 0 HG21 THR A 43 -17.102 8.237 -12.495 1.00 0.00 H new ATOM 0 HG22 THR A 43 -16.188 8.985 -11.163 1.00 0.00 H new ATOM 0 HG23 THR A 43 -15.605 7.477 -11.906 1.00 0.00 H new ATOM 635 N LYS A 44 -18.517 5.417 -8.378 1.00 0.00 N ATOM 636 CA LYS A 44 -19.574 5.081 -7.442 1.00 0.00 C ATOM 637 C LYS A 44 -19.566 3.617 -7.027 1.00 0.00 C ATOM 638 O LYS A 44 -20.151 2.847 -7.774 1.00 0.00 O ATOM 639 CB LYS A 44 -20.913 5.487 -8.059 1.00 0.00 C ATOM 640 CG LYS A 44 -21.255 6.959 -7.891 1.00 0.00 C ATOM 641 CD LYS A 44 -22.580 7.282 -8.576 1.00 0.00 C ATOM 642 CE LYS A 44 -22.806 8.797 -8.533 1.00 0.00 C ATOM 643 NZ LYS A 44 -22.665 9.575 -7.293 1.00 0.00 N1+ ATOM 0 H LYS A 44 -18.488 4.801 -9.191 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.405 5.635 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.898 5.248 -9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -21.704 4.888 -7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -21.318 7.205 -6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.461 7.574 -8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.565 6.932 -9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -23.399 6.765 -8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -22.122 9.237 -9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -23.817 8.974 -8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -22.862 10.577 -7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -23.338 9.222 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -21.695 9.477 -6.930 1.00 0.00 H new ATOM 657 N GLY A 45 -19.028 3.212 -5.877 1.00 0.00 N ATOM 658 CA GLY A 45 -19.359 1.942 -5.254 1.00 0.00 C ATOM 659 C GLY A 45 -18.711 0.722 -5.899 1.00 0.00 C ATOM 660 O GLY A 45 -17.668 0.266 -5.435 1.00 0.00 O ATOM 0 H GLY A 45 -18.348 3.762 -5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.064 1.980 -4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.441 1.814 -5.276 1.00 0.00 H new ATOM 664 N VAL A 46 -19.214 0.303 -7.053 1.00 0.00 N ATOM 665 CA VAL A 46 -18.652 -0.713 -7.925 1.00 0.00 C ATOM 666 C VAL A 46 -17.165 -0.406 -8.067 1.00 0.00 C ATOM 667 O VAL A 46 -16.813 0.749 -8.302 1.00 0.00 O ATOM 668 CB VAL A 46 -19.421 -0.833 -9.230 1.00 0.00 C ATOM 669 CG1 VAL A 46 -18.678 -1.749 -10.190 1.00 0.00 C ATOM 670 CG2 VAL A 46 -20.829 -1.396 -9.021 1.00 0.00 C ATOM 0 H VAL A 46 -20.081 0.690 -7.426 1.00 0.00 H new ATOM 0 HA VAL A 46 -18.752 -1.711 -7.498 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.505 0.173 -9.641 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.237 -1.829 -11.122 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.689 -1.338 -10.393 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.575 -2.738 -9.743 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.340 -1.463 -9.981 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.762 -2.388 -8.575 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.389 -0.738 -8.357 1.00 0.00 H new ATOM 680 N ALA A 47 -16.325 -1.415 -7.836 1.00 0.00 N ATOM 681 CA ALA A 47 -14.883 -1.319 -7.984 1.00 0.00 C ATOM 682 C ALA A 47 -14.363 -0.932 -9.358 1.00 0.00 C ATOM 683 O ALA A 47 -15.166 -1.013 -10.283 1.00 0.00 O ATOM 684 CB ALA A 47 -14.294 -2.593 -7.399 1.00 0.00 C ATOM 0 H ALA A 47 -16.640 -2.337 -7.535 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.532 -0.451 -7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.208 -2.566 -7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.570 -2.672 -6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.681 -3.455 -7.941 1.00 0.00 H new ATOM 690 N ARG A 48 -13.066 -0.656 -9.513 1.00 0.00 N ATOM 691 CA ARG A 48 -12.451 -0.590 -10.825 1.00 0.00 C ATOM 692 C ARG A 48 -12.548 -1.989 -11.412 1.00 0.00 C ATOM 693 O ARG A 48 -12.100 -2.891 -10.710 1.00 0.00 O ATOM 694 CB ARG A 48 -11.016 -0.068 -10.787 1.00 0.00 C ATOM 695 CG ARG A 48 -10.773 1.406 -11.072 1.00 0.00 C ATOM 696 CD ARG A 48 -11.028 1.793 -12.536 1.00 0.00 C ATOM 697 NE ARG A 48 -9.991 1.256 -13.409 1.00 0.00 N ATOM 698 CZ ARG A 48 -10.181 0.300 -14.339 1.00 0.00 C ATOM 699 NH1 ARG A 48 -11.398 -0.182 -14.611 1.00 0.00 N1+ ATOM 700 NH2 ARG A 48 -9.139 -0.281 -14.934 1.00 0.00 N ATOM 0 H ARG A 48 -12.427 -0.475 -8.739 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.973 0.132 -11.453 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.610 -0.286 -9.799 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.434 -0.645 -11.506 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.418 2.004 -10.428 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.744 1.654 -10.812 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.002 1.418 -12.850 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.059 2.879 -12.628 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.049 1.633 -13.308 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.211 0.174 -14.109 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.513 -0.906 -15.320 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.190 -0.002 -14.686 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.291 -1.004 -15.637 1.00 0.00 H new ATOM 714 N THR A 49 -13.301 -2.104 -12.513 1.00 0.00 N ATOM 715 CA THR A 49 -13.826 -3.391 -12.937 1.00 0.00 C ATOM 716 C THR A 49 -12.841 -4.342 -13.615 1.00 0.00 C ATOM 717 O THR A 49 -13.186 -5.376 -14.181 1.00 0.00 O ATOM 718 CB THR A 49 -15.099 -3.176 -13.763 1.00 0.00 C ATOM 719 OG1 THR A 49 -14.954 -2.226 -14.787 1.00 0.00 O ATOM 720 CG2 THR A 49 -16.264 -2.792 -12.858 1.00 0.00 C ATOM 0 H THR A 49 -13.555 -1.322 -13.117 1.00 0.00 H new ATOM 0 HA THR A 49 -14.059 -3.928 -12.018 1.00 0.00 H new ATOM 0 HB THR A 49 -15.304 -4.129 -14.251 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.058 -2.299 -15.177 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.160 -2.643 -13.461 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.441 -3.589 -12.135 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.025 -1.869 -12.329 1.00 0.00 H new ATOM 728 N ASP A 50 -11.596 -3.867 -13.627 1.00 0.00 N ATOM 729 CA ASP A 50 -10.510 -4.517 -14.325 1.00 0.00 C ATOM 730 C ASP A 50 -9.204 -3.869 -13.887 1.00 0.00 C ATOM 731 O ASP A 50 -9.109 -2.846 -13.207 1.00 0.00 O ATOM 732 CB ASP A 50 -10.706 -4.361 -15.831 1.00 0.00 C ATOM 733 CG ASP A 50 -10.843 -2.929 -16.325 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.807 -2.345 -16.709 1.00 0.00 O ATOM 735 OD2 ASP A 50 -11.959 -2.377 -16.191 1.00 0.00 O1- ATOM 0 H ASP A 50 -11.320 -3.011 -13.145 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.486 -5.581 -14.090 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.861 -4.824 -16.340 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.598 -4.916 -16.124 1.00 0.00 H new ATOM 740 N GLY A 51 -8.089 -4.554 -14.150 1.00 0.00 N ATOM 741 CA GLY A 51 -6.885 -4.468 -13.346 1.00 0.00 C ATOM 742 C GLY A 51 -5.789 -3.617 -13.977 1.00 0.00 C ATOM 743 O GLY A 51 -5.966 -3.038 -15.049 1.00 0.00 O ATOM 0 H GLY A 51 -8.004 -5.192 -14.942 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.139 -4.054 -12.370 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.500 -5.473 -13.175 1.00 0.00 H new ATOM 747 N GLY A 52 -4.600 -3.695 -13.376 1.00 0.00 N ATOM 748 CA GLY A 52 -3.356 -3.154 -13.893 1.00 0.00 C ATOM 749 C GLY A 52 -3.262 -1.650 -14.094 1.00 0.00 C ATOM 750 O GLY A 52 -2.411 -1.309 -14.921 1.00 0.00 O ATOM 0 H GLY A 52 -4.480 -4.159 -12.476 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.555 -3.451 -13.216 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.157 -3.632 -14.852 1.00 0.00 H new ATOM 754 N ASP A 53 -4.032 -0.761 -13.465 1.00 0.00 N ATOM 755 CA ASP A 53 -3.761 0.656 -13.627 1.00 0.00 C ATOM 756 C ASP A 53 -2.454 1.024 -12.941 1.00 0.00 C ATOM 757 O ASP A 53 -2.091 0.349 -11.983 1.00 0.00 O ATOM 758 CB ASP A 53 -4.907 1.543 -13.140 1.00 0.00 C ATOM 759 CG ASP A 53 -6.236 1.000 -13.644 1.00 0.00 C ATOM 760 OD1 ASP A 53 -7.203 0.756 -12.901 1.00 0.00 O ATOM 761 OD2 ASP A 53 -6.502 0.941 -14.867 1.00 0.00 O1- ATOM 0 H ASP A 53 -4.820 -0.991 -12.860 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.667 0.843 -14.697 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.910 1.582 -12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.764 2.564 -13.495 1.00 0.00 H new ATOM 766 N PRO A 54 -1.735 2.061 -13.351 1.00 0.00 N ATOM 767 CA PRO A 54 -0.412 2.437 -12.903 1.00 0.00 C ATOM 768 C PRO A 54 -0.290 3.348 -11.683 1.00 0.00 C ATOM 769 O PRO A 54 -1.065 4.281 -11.502 1.00 0.00 O ATOM 770 CB PRO A 54 0.262 3.163 -14.066 1.00 0.00 C ATOM 771 CG PRO A 54 -0.912 3.939 -14.668 1.00 0.00 C ATOM 772 CD PRO A 54 -2.076 2.967 -14.428 1.00 0.00 C ATOM 0 HA PRO A 54 0.043 1.498 -12.588 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.060 3.824 -13.729 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.704 2.469 -14.781 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.068 4.897 -14.172 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.765 4.149 -15.727 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.981 3.521 -14.178 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.287 2.404 -15.337 1.00 0.00 H new ATOM 780 N PHE A 55 0.614 2.918 -10.792 1.00 0.00 N ATOM 781 CA PHE A 55 0.621 3.259 -9.385 1.00 0.00 C ATOM 782 C PHE A 55 2.048 3.293 -8.855 1.00 0.00 C ATOM 783 O PHE A 55 2.967 2.781 -9.493 1.00 0.00 O ATOM 784 CB PHE A 55 -0.376 2.390 -8.642 1.00 0.00 C ATOM 785 CG PHE A 55 -1.715 3.012 -8.308 1.00 0.00 C ATOM 786 CD1 PHE A 55 -1.765 3.941 -7.272 1.00 0.00 C ATOM 787 CD2 PHE A 55 -2.839 2.706 -9.083 1.00 0.00 C ATOM 788 CE1 PHE A 55 -2.988 4.424 -6.786 1.00 0.00 C ATOM 789 CE2 PHE A 55 -4.043 3.194 -8.564 1.00 0.00 C ATOM 790 CZ PHE A 55 -4.141 4.103 -7.500 1.00 0.00 C ATOM 0 H PHE A 55 1.383 2.301 -11.053 1.00 0.00 H new ATOM 0 HA PHE A 55 0.265 4.275 -9.212 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.557 1.496 -9.239 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.087 2.063 -7.711 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.844 4.296 -6.834 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.782 2.142 -10.002 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.035 5.024 -5.889 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.961 2.847 -9.014 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.091 4.545 -7.239 1.00 0.00 H new ATOM 800 N GLU A 56 2.255 3.843 -7.653 1.00 0.00 N ATOM 801 CA GLU A 56 3.479 3.904 -6.874 1.00 0.00 C ATOM 802 C GLU A 56 3.084 4.217 -5.436 1.00 0.00 C ATOM 803 O GLU A 56 2.154 4.957 -5.120 1.00 0.00 O ATOM 804 CB GLU A 56 4.550 4.842 -7.412 1.00 0.00 C ATOM 805 CG GLU A 56 5.867 4.576 -6.676 1.00 0.00 C ATOM 806 CD GLU A 56 7.015 5.470 -7.110 1.00 0.00 C ATOM 807 OE1 GLU A 56 6.894 6.213 -8.108 1.00 0.00 O ATOM 808 OE2 GLU A 56 8.138 5.461 -6.580 1.00 0.00 O1- ATOM 0 H GLU A 56 1.488 4.300 -7.160 1.00 0.00 H new ATOM 0 HA GLU A 56 3.974 2.935 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.680 4.688 -8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.245 5.879 -7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.705 4.706 -5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.153 3.536 -6.831 1.00 0.00 H new ATOM 815 N VAL A 57 3.809 3.572 -4.527 1.00 0.00 N ATOM 816 CA VAL A 57 3.733 3.575 -3.084 1.00 0.00 C ATOM 817 C VAL A 57 5.178 3.779 -2.641 1.00 0.00 C ATOM 818 O VAL A 57 5.943 2.842 -2.433 1.00 0.00 O ATOM 819 CB VAL A 57 3.153 2.268 -2.548 1.00 0.00 C ATOM 820 CG1 VAL A 57 2.901 2.432 -1.045 1.00 0.00 C ATOM 821 CG2 VAL A 57 1.827 1.985 -3.238 1.00 0.00 C ATOM 0 H VAL A 57 4.561 2.956 -4.836 1.00 0.00 H new ATOM 0 HA VAL A 57 3.069 4.350 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 57 3.846 1.448 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.486 1.508 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.841 2.657 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.197 3.248 -0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.411 1.052 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.132 2.801 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.987 1.899 -4.313 1.00 0.00 H new ATOM 831 N ALA A 58 5.451 5.061 -2.381 1.00 0.00 N ATOM 832 CA ALA A 58 6.807 5.524 -2.174 1.00 0.00 C ATOM 833 C ALA A 58 6.968 6.046 -0.754 1.00 0.00 C ATOM 834 O ALA A 58 6.129 6.762 -0.218 1.00 0.00 O ATOM 835 CB ALA A 58 7.116 6.541 -3.273 1.00 0.00 C ATOM 0 H ALA A 58 4.742 5.791 -2.311 1.00 0.00 H new ATOM 0 HA ALA A 58 7.540 4.721 -2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.133 6.913 -3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.021 6.063 -4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.415 7.373 -3.207 1.00 0.00 H new ATOM 841 N ILE A 59 8.128 5.722 -0.193 1.00 0.00 N ATOM 842 CA ILE A 59 8.303 5.725 1.248 1.00 0.00 C ATOM 843 C ILE A 59 9.614 6.408 1.613 1.00 0.00 C ATOM 844 O ILE A 59 10.601 6.359 0.890 1.00 0.00 O ATOM 845 CB ILE A 59 8.299 4.318 1.838 1.00 0.00 C ATOM 846 CG1 ILE A 59 6.847 3.856 1.730 1.00 0.00 C ATOM 847 CG2 ILE A 59 8.812 4.188 3.274 1.00 0.00 C ATOM 848 CD1 ILE A 59 6.495 2.441 2.175 1.00 0.00 C ATOM 0 H ILE A 59 8.960 5.454 -0.718 1.00 0.00 H new ATOM 0 HA ILE A 59 7.458 6.270 1.668 1.00 0.00 H new ATOM 0 HB ILE A 59 9.006 3.701 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.236 4.547 2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.543 3.960 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.762 3.145 3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.845 4.533 3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.195 4.794 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.428 2.270 2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.059 1.722 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.747 2.318 3.228 1.00 0.00 H new ATOM 860 N ASN A 60 9.640 7.052 2.781 1.00 0.00 N ATOM 861 CA ASN A 60 10.844 7.496 3.455 1.00 0.00 C ATOM 862 C ASN A 60 10.740 6.909 4.860 1.00 0.00 C ATOM 863 O ASN A 60 9.657 6.837 5.423 1.00 0.00 O ATOM 864 CB ASN A 60 10.901 9.024 3.437 1.00 0.00 C ATOM 865 CG ASN A 60 11.137 9.599 2.055 1.00 0.00 C ATOM 866 OD1 ASN A 60 12.287 9.728 1.641 1.00 0.00 O ATOM 867 ND2 ASN A 60 10.085 10.034 1.355 1.00 0.00 N ATOM 0 H ASN A 60 8.790 7.283 3.295 1.00 0.00 H new ATOM 0 HA ASN A 60 11.767 7.166 2.979 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.966 9.420 3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.696 9.359 4.103 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.225 10.487 0.452 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.142 9.913 1.724 1.00 0.00 H new ATOM 874 N GLY A 61 11.878 6.640 5.505 1.00 0.00 N ATOM 875 CA GLY A 61 11.910 6.205 6.889 1.00 0.00 C ATOM 876 C GLY A 61 13.085 6.905 7.566 1.00 0.00 C ATOM 877 O GLY A 61 13.377 8.037 7.221 1.00 0.00 O ATOM 0 H GLY A 61 12.800 6.720 5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.975 6.455 7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.024 5.123 6.948 1.00 0.00 H new ATOM 881 N PRO A 62 13.733 6.219 8.510 1.00 0.00 N ATOM 882 CA PRO A 62 14.748 6.880 9.308 1.00 0.00 C ATOM 883 C PRO A 62 16.029 7.089 8.526 1.00 0.00 C ATOM 884 O PRO A 62 16.630 6.200 7.921 1.00 0.00 O ATOM 885 CB PRO A 62 14.956 6.005 10.546 1.00 0.00 C ATOM 886 CG PRO A 62 14.387 4.655 10.120 1.00 0.00 C ATOM 887 CD PRO A 62 13.397 4.894 8.997 1.00 0.00 C ATOM 0 HA PRO A 62 14.431 7.882 9.598 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.010 5.931 10.814 1.00 0.00 H new ATOM 0 HB3 PRO A 62 14.434 6.406 11.415 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.187 3.993 9.788 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.897 4.166 10.962 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.494 4.144 8.212 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.368 4.849 9.355 1.00 0.00 H new ATOM 933 N VAL A 66 15.075 5.028 1.807 1.00 0.00 N ATOM 934 CA VAL A 66 14.026 5.262 0.831 1.00 0.00 C ATOM 935 C VAL A 66 13.642 3.913 0.261 1.00 0.00 C ATOM 936 O VAL A 66 14.460 3.051 -0.036 1.00 0.00 O ATOM 937 CB VAL A 66 14.395 6.328 -0.201 1.00 0.00 C ATOM 938 CG1 VAL A 66 13.297 6.469 -1.249 1.00 0.00 C ATOM 939 CG2 VAL A 66 14.730 7.656 0.482 1.00 0.00 C ATOM 0 HA VAL A 66 13.146 5.702 1.301 1.00 0.00 H new ATOM 0 HB VAL A 66 15.295 6.009 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.581 7.233 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.159 5.517 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 66 12.365 6.758 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.989 8.398 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 66 13.866 8.002 1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.574 7.515 1.157 1.00 0.00 H new ATOM 949 N VAL A 67 12.327 3.692 0.156 1.00 0.00 N ATOM 950 CA VAL A 67 11.720 2.420 -0.135 1.00 0.00 C ATOM 951 C VAL A 67 10.533 2.564 -1.083 1.00 0.00 C ATOM 952 O VAL A 67 9.803 3.550 -0.945 1.00 0.00 O ATOM 953 CB VAL A 67 11.407 1.717 1.183 1.00 0.00 C ATOM 954 CG1 VAL A 67 10.422 0.548 1.080 1.00 0.00 C ATOM 955 CG2 VAL A 67 12.687 1.094 1.750 1.00 0.00 C ATOM 0 H VAL A 67 11.641 4.437 0.279 1.00 0.00 H new ATOM 0 HA VAL A 67 12.412 1.781 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 67 10.968 2.500 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.266 0.116 2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.471 0.907 0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.828 -0.212 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.462 0.592 2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.085 0.370 1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.426 1.876 1.924 1.00 0.00 H new ATOM 965 N ASP A 68 10.314 1.496 -1.838 1.00 0.00 N ATOM 966 CA ASP A 68 9.084 1.346 -2.606 1.00 0.00 C ATOM 967 C ASP A 68 8.553 -0.068 -2.455 1.00 0.00 C ATOM 968 O ASP A 68 9.192 -1.078 -2.734 1.00 0.00 O ATOM 969 CB ASP A 68 9.206 1.896 -4.021 1.00 0.00 C ATOM 970 CG ASP A 68 10.179 1.204 -4.962 1.00 0.00 C ATOM 971 OD1 ASP A 68 11.414 1.335 -4.834 1.00 0.00 O ATOM 972 OD2 ASP A 68 9.708 0.508 -5.888 1.00 0.00 O1- ATOM 0 H ASP A 68 10.970 0.721 -1.936 1.00 0.00 H new ATOM 0 HA ASP A 68 8.302 1.983 -2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.217 1.868 -4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.495 2.945 -3.950 1.00 0.00 H new ATOM 977 N ALA A 69 7.307 -0.075 -1.969 1.00 0.00 N ATOM 978 CA ALA A 69 6.468 -1.213 -1.648 1.00 0.00 C ATOM 979 C ALA A 69 5.879 -1.933 -2.853 1.00 0.00 C ATOM 980 O ALA A 69 5.534 -1.371 -3.890 1.00 0.00 O ATOM 981 CB ALA A 69 5.426 -0.851 -0.604 1.00 0.00 C ATOM 0 H ALA A 69 6.824 0.803 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 69 7.135 -1.955 -1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.812 -1.725 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.924 -0.519 0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.793 -0.049 -0.984 1.00 0.00 H new ATOM 987 N LYS A 70 5.647 -3.240 -2.658 1.00 0.00 N ATOM 988 CA LYS A 70 5.484 -4.193 -3.743 1.00 0.00 C ATOM 989 C LYS A 70 4.020 -4.378 -4.102 1.00 0.00 C ATOM 990 O LYS A 70 3.317 -5.088 -3.387 1.00 0.00 O ATOM 991 CB LYS A 70 6.290 -5.446 -3.428 1.00 0.00 C ATOM 992 CG LYS A 70 6.486 -6.392 -4.614 1.00 0.00 C ATOM 993 CD LYS A 70 7.184 -7.702 -4.294 1.00 0.00 C ATOM 994 CE LYS A 70 6.816 -8.740 -5.358 1.00 0.00 C ATOM 995 NZ LYS A 70 7.383 -10.085 -5.157 1.00 0.00 N1+ ATOM 0 H LYS A 70 5.568 -3.659 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 70 5.904 -3.817 -4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.269 -5.148 -3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.793 -5.990 -2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.510 -6.616 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.060 -5.872 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.264 -7.556 -4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.887 -8.055 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.730 -8.825 -5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.142 -8.369 -6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.075 -10.710 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.421 -10.027 -5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.053 -10.468 -4.248 1.00 0.00 H new ATOM 1009 N VAL A 71 3.599 -3.678 -5.162 1.00 0.00 N ATOM 1010 CA VAL A 71 2.197 -3.574 -5.544 1.00 0.00 C ATOM 1011 C VAL A 71 1.914 -4.749 -6.469 1.00 0.00 C ATOM 1012 O VAL A 71 2.506 -4.931 -7.528 1.00 0.00 O ATOM 1013 CB VAL A 71 1.922 -2.230 -6.207 1.00 0.00 C ATOM 1014 CG1 VAL A 71 0.499 -1.822 -6.588 1.00 0.00 C ATOM 1015 CG2 VAL A 71 2.389 -1.035 -5.388 1.00 0.00 C ATOM 0 H VAL A 71 4.230 -3.167 -5.779 1.00 0.00 H new ATOM 0 HA VAL A 71 1.536 -3.617 -4.678 1.00 0.00 H new ATOM 0 HB VAL A 71 2.480 -2.444 -7.118 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.514 -0.833 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.091 -2.544 -7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.124 -1.798 -5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.159 -0.114 -5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.878 -1.032 -4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.465 -1.102 -5.227 1.00 0.00 H new ATOM 1025 N THR A 72 0.791 -5.421 -6.184 1.00 0.00 N ATOM 1026 CA THR A 72 0.352 -6.460 -7.099 1.00 0.00 C ATOM 1027 C THR A 72 -1.174 -6.469 -7.160 1.00 0.00 C ATOM 1028 O THR A 72 -1.861 -6.505 -6.144 1.00 0.00 O ATOM 1029 CB THR A 72 0.868 -7.858 -6.757 1.00 0.00 C ATOM 1030 OG1 THR A 72 2.273 -7.786 -6.596 1.00 0.00 O ATOM 1031 CG2 THR A 72 0.700 -8.893 -7.862 1.00 0.00 C ATOM 0 H THR A 72 0.201 -5.269 -5.366 1.00 0.00 H new ATOM 0 HA THR A 72 0.781 -6.215 -8.071 1.00 0.00 H new ATOM 0 HB THR A 72 0.296 -8.158 -5.879 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.623 -8.674 -6.374 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.095 -9.852 -7.526 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.358 -9.001 -8.102 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.242 -8.568 -8.750 1.00 0.00 H new ATOM 1039 N ASP A 73 -1.742 -6.382 -8.363 1.00 0.00 N ATOM 1040 CA ASP A 73 -3.122 -6.630 -8.730 1.00 0.00 C ATOM 1041 C ASP A 73 -3.781 -7.918 -8.240 1.00 0.00 C ATOM 1042 O ASP A 73 -3.213 -8.967 -8.508 1.00 0.00 O ATOM 1043 CB ASP A 73 -3.133 -6.492 -10.257 1.00 0.00 C ATOM 1044 CG ASP A 73 -4.515 -6.497 -10.896 1.00 0.00 C ATOM 1045 OD1 ASP A 73 -5.490 -6.985 -10.302 1.00 0.00 O ATOM 1046 OD2 ASP A 73 -4.539 -6.003 -12.041 1.00 0.00 O1- ATOM 0 H ASP A 73 -1.189 -6.110 -9.176 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.756 -5.912 -8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.629 -5.564 -10.526 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.549 -7.307 -10.684 1.00 0.00 H new ATOM 1051 N ASN A 74 -4.875 -7.841 -7.477 1.00 0.00 N ATOM 1052 CA ASN A 74 -5.600 -8.992 -6.976 1.00 0.00 C ATOM 1053 C ASN A 74 -6.609 -9.535 -7.985 1.00 0.00 C ATOM 1054 O ASN A 74 -7.241 -10.509 -7.591 1.00 0.00 O ATOM 1055 CB ASN A 74 -6.237 -8.669 -5.628 1.00 0.00 C ATOM 1056 CG ASN A 74 -5.202 -8.208 -4.611 1.00 0.00 C ATOM 1057 OD1 ASN A 74 -4.099 -8.743 -4.501 1.00 0.00 O ATOM 1058 ND2 ASN A 74 -5.473 -7.140 -3.855 1.00 0.00 N ATOM 0 H ASN A 74 -5.283 -6.952 -7.189 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.883 -9.798 -6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.990 -7.892 -5.758 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.752 -9.551 -5.248 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.773 -6.785 -3.204 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.380 -6.680 -3.929 1.00 0.00 H new ATOM 1065 N ASN A 75 -6.767 -9.003 -9.198 1.00 0.00 N ATOM 1066 CA ASN A 75 -7.749 -9.446 -10.169 1.00 0.00 C ATOM 1067 C ASN A 75 -9.212 -9.341 -9.785 1.00 0.00 C ATOM 1068 O ASN A 75 -10.024 -10.104 -10.292 1.00 0.00 O ATOM 1069 CB ASN A 75 -7.410 -10.850 -10.670 1.00 0.00 C ATOM 1070 CG ASN A 75 -5.956 -11.055 -11.052 1.00 0.00 C ATOM 1071 OD1 ASN A 75 -5.387 -12.020 -10.560 1.00 0.00 O ATOM 1072 ND2 ASN A 75 -5.224 -10.203 -11.773 1.00 0.00 N ATOM 0 H ASN A 75 -6.194 -8.229 -9.535 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.660 -8.713 -10.971 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.673 -11.570 -9.895 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.033 -11.072 -11.536 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.225 -10.368 -11.898 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.663 -9.387 -12.199 1.00 0.00 H new ATOM 1079 N ASP A 76 -9.539 -8.438 -8.858 1.00 0.00 N ATOM 1080 CA ASP A 76 -10.878 -8.252 -8.350 1.00 0.00 C ATOM 1081 C ASP A 76 -11.344 -6.805 -8.244 1.00 0.00 C ATOM 1082 O ASP A 76 -12.544 -6.615 -8.081 1.00 0.00 O ATOM 1083 CB ASP A 76 -10.955 -8.890 -6.964 1.00 0.00 C ATOM 1084 CG ASP A 76 -9.851 -8.421 -6.041 1.00 0.00 C ATOM 1085 OD1 ASP A 76 -9.297 -7.330 -6.291 1.00 0.00 O ATOM 1086 OD2 ASP A 76 -9.694 -9.000 -4.947 1.00 0.00 O1- ATOM 0 H ASP A 76 -8.857 -7.807 -8.437 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.542 -8.721 -9.077 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.921 -8.658 -6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.902 -9.974 -7.064 1.00 0.00 H new ATOM 1091 N GLY A 77 -10.480 -5.814 -8.492 1.00 0.00 N ATOM 1092 CA GLY A 77 -10.725 -4.427 -8.149 1.00 0.00 C ATOM 1093 C GLY A 77 -9.820 -3.876 -7.064 1.00 0.00 C ATOM 1094 O GLY A 77 -9.863 -2.650 -6.926 1.00 0.00 O ATOM 0 H GLY A 77 -9.579 -5.966 -8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.608 -3.818 -9.046 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.761 -4.324 -7.827 1.00 0.00 H new ATOM 1098 N THR A 78 -8.879 -4.645 -6.515 1.00 0.00 N ATOM 1099 CA THR A 78 -7.956 -4.239 -5.479 1.00 0.00 C ATOM 1100 C THR A 78 -6.510 -4.604 -5.777 1.00 0.00 C ATOM 1101 O THR A 78 -6.218 -5.333 -6.722 1.00 0.00 O ATOM 1102 CB THR A 78 -8.317 -4.847 -4.127 1.00 0.00 C ATOM 1103 OG1 THR A 78 -8.183 -6.247 -4.189 1.00 0.00 O ATOM 1104 CG2 THR A 78 -9.772 -4.623 -3.732 1.00 0.00 C ATOM 0 H THR A 78 -8.741 -5.614 -6.802 1.00 0.00 H new ATOM 0 HA THR A 78 -8.045 -3.153 -5.448 1.00 0.00 H new ATOM 0 HB THR A 78 -7.651 -4.367 -3.410 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.650 -6.586 -4.981 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.960 -5.081 -2.761 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.973 -3.553 -3.674 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.425 -5.074 -4.479 1.00 0.00 H new ATOM 1112 N TYR A 79 -5.517 -3.978 -5.142 1.00 0.00 N ATOM 1113 CA TYR A 79 -4.097 -4.251 -5.183 1.00 0.00 C ATOM 1114 C TYR A 79 -3.563 -4.496 -3.776 1.00 0.00 C ATOM 1115 O TYR A 79 -3.838 -3.675 -2.900 1.00 0.00 O ATOM 1116 CB TYR A 79 -3.336 -3.099 -5.826 1.00 0.00 C ATOM 1117 CG TYR A 79 -3.781 -2.808 -7.239 1.00 0.00 C ATOM 1118 CD1 TYR A 79 -2.917 -3.066 -8.310 1.00 0.00 C ATOM 1119 CD2 TYR A 79 -5.011 -2.166 -7.415 1.00 0.00 C ATOM 1120 CE1 TYR A 79 -3.398 -2.868 -9.607 1.00 0.00 C ATOM 1121 CE2 TYR A 79 -5.518 -1.983 -8.715 1.00 0.00 C ATOM 1122 CZ TYR A 79 -4.684 -2.310 -9.790 1.00 0.00 C ATOM 1123 OH TYR A 79 -5.071 -1.966 -11.057 1.00 0.00 O ATOM 0 H TYR A 79 -5.719 -3.190 -4.527 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.947 -5.146 -5.787 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.466 -2.203 -5.219 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.271 -3.332 -5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.907 -3.408 -8.139 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.568 -1.813 -6.559 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.794 -3.138 -10.460 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.516 -1.603 -8.877 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.978 -1.596 -11.033 1.00 0.00 H new ATOM 1133 N GLY A 80 -2.872 -5.627 -3.629 1.00 0.00 N ATOM 1134 CA GLY A 80 -2.101 -6.087 -2.496 1.00 0.00 C ATOM 1135 C GLY A 80 -0.755 -5.373 -2.582 1.00 0.00 C ATOM 1136 O GLY A 80 0.007 -5.513 -3.537 1.00 0.00 O ATOM 0 H GLY A 80 -2.842 -6.309 -4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.607 -5.853 -1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.971 -7.169 -2.526 1.00 0.00 H new ATOM 1140 N VAL A 81 -0.490 -4.550 -1.575 1.00 0.00 N ATOM 1141 CA VAL A 81 0.843 -4.026 -1.316 1.00 0.00 C ATOM 1142 C VAL A 81 1.637 -4.670 -0.186 1.00 0.00 C ATOM 1143 O VAL A 81 1.067 -4.731 0.903 1.00 0.00 O ATOM 1144 CB VAL A 81 0.712 -2.529 -1.016 1.00 0.00 C ATOM 1145 CG1 VAL A 81 2.070 -1.848 -1.100 1.00 0.00 C ATOM 1146 CG2 VAL A 81 -0.267 -1.680 -1.822 1.00 0.00 C ATOM 0 H VAL A 81 -1.196 -4.227 -0.914 1.00 0.00 H new ATOM 0 HA VAL A 81 1.412 -4.256 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 81 0.280 -2.564 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.958 -0.785 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.748 -2.297 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.479 -1.973 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.226 -0.648 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.002 -1.718 -2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.277 -2.067 -1.691 1.00 0.00 H new ATOM 1156 N VAL A 82 2.862 -5.171 -0.379 1.00 0.00 N ATOM 1157 CA VAL A 82 3.608 -5.908 0.618 1.00 0.00 C ATOM 1158 C VAL A 82 4.989 -5.302 0.854 1.00 0.00 C ATOM 1159 O VAL A 82 5.535 -4.809 -0.122 1.00 0.00 O ATOM 1160 CB VAL A 82 3.852 -7.338 0.147 1.00 0.00 C ATOM 1161 CG1 VAL A 82 4.681 -8.301 1.010 1.00 0.00 C ATOM 1162 CG2 VAL A 82 2.513 -8.018 -0.122 1.00 0.00 C ATOM 0 H VAL A 82 3.365 -5.066 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 82 3.013 -5.874 1.531 1.00 0.00 H new ATOM 0 HB VAL A 82 4.479 -7.168 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.747 -9.269 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.683 -7.895 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.202 -8.423 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.685 -9.040 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.922 -8.032 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.974 -7.468 -0.893 1.00 0.00 H new ATOM 1172 N TYR A 83 5.585 -5.301 2.049 1.00 0.00 N ATOM 1173 CA TYR A 83 6.890 -4.761 2.362 1.00 0.00 C ATOM 1174 C TYR A 83 7.448 -5.196 3.715 1.00 0.00 C ATOM 1175 O TYR A 83 6.664 -5.698 4.526 1.00 0.00 O ATOM 1176 CB TYR A 83 7.001 -3.286 2.009 1.00 0.00 C ATOM 1177 CG TYR A 83 6.203 -2.329 2.866 1.00 0.00 C ATOM 1178 CD1 TYR A 83 4.818 -2.480 3.009 1.00 0.00 C ATOM 1179 CD2 TYR A 83 6.780 -1.235 3.507 1.00 0.00 C ATOM 1180 CE1 TYR A 83 4.058 -1.625 3.813 1.00 0.00 C ATOM 1181 CE2 TYR A 83 6.039 -0.241 4.166 1.00 0.00 C ATOM 1182 CZ TYR A 83 4.659 -0.448 4.319 1.00 0.00 C ATOM 1183 OH TYR A 83 3.943 0.544 4.919 1.00 0.00 O ATOM 0 H TYR A 83 5.132 -5.705 2.869 1.00 0.00 H new ATOM 0 HA TYR A 83 7.602 -5.240 1.690 1.00 0.00 H new ATOM 0 HB2 TYR A 83 8.051 -2.999 2.064 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.689 -3.158 0.972 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.322 -3.282 2.482 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.856 -1.147 3.496 1.00 0.00 H new ATOM 0 HE1 TYR A 83 3.029 -1.859 4.044 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.515 0.653 4.542 1.00 0.00 H new ATOM 0 HH TYR A 83 3.084 0.187 5.227 1.00 0.00 H new ATOM 1193 N ASP A 84 8.700 -4.865 4.010 1.00 0.00 N ATOM 1194 CA ASP A 84 9.379 -5.260 5.223 1.00 0.00 C ATOM 1195 C ASP A 84 10.112 -4.052 5.772 1.00 0.00 C ATOM 1196 O ASP A 84 10.237 -3.018 5.111 1.00 0.00 O ATOM 1197 CB ASP A 84 10.187 -6.536 4.968 1.00 0.00 C ATOM 1198 CG ASP A 84 11.071 -6.508 3.730 1.00 0.00 C ATOM 1199 OD1 ASP A 84 11.631 -7.560 3.373 1.00 0.00 O ATOM 1200 OD2 ASP A 84 11.323 -5.424 3.161 1.00 0.00 O1- ATOM 0 H ASP A 84 9.280 -4.299 3.391 1.00 0.00 H new ATOM 0 HA ASP A 84 8.704 -5.556 6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.814 -6.729 5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.495 -7.374 4.882 1.00 0.00 H new ATOM 1205 N ALA A 85 10.627 -4.152 7.007 1.00 0.00 N ATOM 1206 CA ALA A 85 11.369 -3.106 7.677 1.00 0.00 C ATOM 1207 C ALA A 85 12.664 -3.564 8.335 1.00 0.00 C ATOM 1208 O ALA A 85 12.619 -4.308 9.321 1.00 0.00 O ATOM 1209 CB ALA A 85 10.372 -2.418 8.599 1.00 0.00 C ATOM 0 H ALA A 85 10.528 -4.995 7.573 1.00 0.00 H new ATOM 0 HA ALA A 85 11.767 -2.390 6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.871 -1.613 9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.554 -2.007 8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.976 -3.141 9.312 1.00 0.00 H new ATOM 1215 N PRO A 86 13.845 -3.195 7.822 1.00 0.00 N ATOM 1216 CA PRO A 86 15.134 -3.572 8.365 1.00 0.00 C ATOM 1217 C PRO A 86 15.419 -2.847 9.664 1.00 0.00 C ATOM 1218 O PRO A 86 16.488 -3.039 10.242 1.00 0.00 O ATOM 1219 CB PRO A 86 16.175 -3.456 7.250 1.00 0.00 C ATOM 1220 CG PRO A 86 15.557 -2.372 6.379 1.00 0.00 C ATOM 1221 CD PRO A 86 14.051 -2.411 6.631 1.00 0.00 C ATOM 0 HA PRO A 86 15.161 -4.615 8.680 1.00 0.00 H new ATOM 0 HB2 PRO A 86 17.155 -3.169 7.631 1.00 0.00 H new ATOM 0 HB3 PRO A 86 16.305 -4.394 6.710 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.966 -1.394 6.631 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.778 -2.549 5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.655 -1.404 6.759 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.529 -2.854 5.783 1.00 0.00 H new ATOM 1229 N VAL A 87 14.527 -1.950 10.110 1.00 0.00 N ATOM 1230 CA VAL A 87 14.858 -0.966 11.117 1.00 0.00 C ATOM 1231 C VAL A 87 13.739 -0.791 12.130 1.00 0.00 C ATOM 1232 O VAL A 87 12.565 -0.996 11.835 1.00 0.00 O ATOM 1233 CB VAL A 87 15.270 0.369 10.514 1.00 0.00 C ATOM 1234 CG1 VAL A 87 16.511 0.337 9.631 1.00 0.00 C ATOM 1235 CG2 VAL A 87 14.158 1.018 9.683 1.00 0.00 C ATOM 0 H VAL A 87 13.564 -1.897 9.777 1.00 0.00 H new ATOM 0 HA VAL A 87 15.726 -1.356 11.649 1.00 0.00 H new ATOM 0 HB VAL A 87 15.494 0.953 11.407 1.00 0.00 H new ATOM 0 HG11 VAL A 87 16.715 1.339 9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 87 17.363 -0.012 10.214 1.00 0.00 H new ATOM 0 HG13 VAL A 87 16.344 -0.339 8.793 1.00 0.00 H new ATOM 0 HG21 VAL A 87 14.512 1.967 9.280 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.883 0.355 8.863 1.00 0.00 H new ATOM 0 HG23 VAL A 87 13.287 1.195 10.315 1.00 0.00 H new ATOM 1245 N GLU A 88 14.062 -0.545 13.406 1.00 0.00 N ATOM 1246 CA GLU A 88 13.186 0.177 14.309 1.00 0.00 C ATOM 1247 C GLU A 88 12.986 1.600 13.811 1.00 0.00 C ATOM 1248 O GLU A 88 13.984 2.298 13.612 1.00 0.00 O ATOM 1249 CB GLU A 88 13.567 0.162 15.793 1.00 0.00 C ATOM 1250 CG GLU A 88 12.763 1.000 16.776 1.00 0.00 C ATOM 1251 CD GLU A 88 13.499 0.944 18.100 1.00 0.00 C ATOM 1252 OE1 GLU A 88 13.226 0.037 18.924 1.00 0.00 O ATOM 1253 OE2 GLU A 88 14.399 1.771 18.332 1.00 0.00 O1- ATOM 0 H GLU A 88 14.939 -0.845 13.832 1.00 0.00 H new ATOM 0 HA GLU A 88 12.249 -0.379 14.285 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.523 -0.873 16.132 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.608 0.478 15.867 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.674 2.028 16.426 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.750 0.610 16.879 1.00 0.00 H new ATOM 1260 N GLY A 89 11.751 2.080 13.657 1.00 0.00 N ATOM 1261 CA GLY A 89 11.430 3.360 13.052 1.00 0.00 C ATOM 1262 C GLY A 89 9.968 3.592 12.702 1.00 0.00 C ATOM 1263 O GLY A 89 9.064 2.814 12.996 1.00 0.00 O ATOM 0 H GLY A 89 10.924 1.566 13.962 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.748 4.150 13.733 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.021 3.466 12.142 1.00 0.00 H new ATOM 1267 N ASN A 90 9.823 4.652 11.898 1.00 0.00 N ATOM 1268 CA ASN A 90 8.599 4.888 11.155 1.00 0.00 C ATOM 1269 C ASN A 90 8.818 4.784 9.651 1.00 0.00 C ATOM 1270 O ASN A 90 9.900 5.129 9.206 1.00 0.00 O ATOM 1271 CB ASN A 90 7.994 6.215 11.599 1.00 0.00 C ATOM 1272 CG ASN A 90 6.794 6.661 10.773 1.00 0.00 C ATOM 1273 OD1 ASN A 90 5.666 6.210 10.954 1.00 0.00 O ATOM 1274 ND2 ASN A 90 6.933 7.667 9.911 1.00 0.00 N ATOM 0 H ASN A 90 10.546 5.357 11.751 1.00 0.00 H new ATOM 0 HA ASN A 90 7.876 4.104 11.380 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.692 6.133 12.643 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.762 6.987 11.549 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.117 8.039 9.425 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.856 8.066 9.737 1.00 0.00 H new ATOM 1281 N TYR A 91 7.855 4.172 8.958 1.00 0.00 N ATOM 1282 CA TYR A 91 7.641 4.527 7.564 1.00 0.00 C ATOM 1283 C TYR A 91 6.493 5.514 7.383 1.00 0.00 C ATOM 1284 O TYR A 91 5.382 5.481 7.919 1.00 0.00 O ATOM 1285 CB TYR A 91 7.317 3.219 6.835 1.00 0.00 C ATOM 1286 CG TYR A 91 8.501 2.331 6.563 1.00 0.00 C ATOM 1287 CD1 TYR A 91 9.742 2.820 6.130 1.00 0.00 C ATOM 1288 CD2 TYR A 91 8.276 0.948 6.584 1.00 0.00 C ATOM 1289 CE1 TYR A 91 10.809 1.963 5.863 1.00 0.00 C ATOM 1290 CE2 TYR A 91 9.274 0.035 6.229 1.00 0.00 C ATOM 1291 CZ TYR A 91 10.498 0.583 5.811 1.00 0.00 C ATOM 1292 OH TYR A 91 11.318 -0.394 5.336 1.00 0.00 O ATOM 0 H TYR A 91 7.233 3.453 9.328 1.00 0.00 H new ATOM 0 HA TYR A 91 8.530 5.017 7.168 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.592 2.661 7.427 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.837 3.459 5.886 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.874 3.884 6.000 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.306 0.578 6.882 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.812 2.330 5.705 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.113 -1.032 6.274 1.00 0.00 H new ATOM 0 HH TYR A 91 10.838 -1.249 5.328 1.00 0.00 H new ATOM 1302 N ASN A 92 6.698 6.249 6.293 1.00 0.00 N ATOM 1303 CA ASN A 92 5.877 7.362 5.866 1.00 0.00 C ATOM 1304 C ASN A 92 5.504 7.144 4.405 1.00 0.00 C ATOM 1305 O ASN A 92 6.326 7.161 3.495 1.00 0.00 O ATOM 1306 CB ASN A 92 6.633 8.684 6.054 1.00 0.00 C ATOM 1307 CG ASN A 92 5.706 9.817 5.615 1.00 0.00 C ATOM 1308 OD1 ASN A 92 5.924 10.417 4.566 1.00 0.00 O ATOM 1309 ND2 ASN A 92 4.721 10.254 6.400 1.00 0.00 N ATOM 0 H ASN A 92 7.478 6.071 5.660 1.00 0.00 H new ATOM 0 HA ASN A 92 4.970 7.418 6.468 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.926 8.812 7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.549 8.688 5.463 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.171 11.067 6.123 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.517 9.775 7.277 1.00 0.00 H new ATOM 1316 N VAL A 93 4.215 6.836 4.232 1.00 0.00 N ATOM 1317 CA VAL A 93 3.694 6.258 3.013 1.00 0.00 C ATOM 1318 C VAL A 93 3.019 7.361 2.208 1.00 0.00 C ATOM 1319 O VAL A 93 2.222 8.107 2.783 1.00 0.00 O ATOM 1320 CB VAL A 93 2.784 5.070 3.300 1.00 0.00 C ATOM 1321 CG1 VAL A 93 2.164 4.477 2.032 1.00 0.00 C ATOM 1322 CG2 VAL A 93 3.588 3.975 4.007 1.00 0.00 C ATOM 0 H VAL A 93 3.505 6.987 4.949 1.00 0.00 H new ATOM 0 HA VAL A 93 4.506 5.847 2.413 1.00 0.00 H new ATOM 0 HB VAL A 93 1.972 5.435 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.526 3.634 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.568 5.238 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.956 4.136 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.940 3.124 4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.411 3.657 3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.986 4.364 4.944 1.00 0.00 H new ATOM 1332 N ASN A 94 3.405 7.445 0.935 1.00 0.00 N ATOM 1333 CA ASN A 94 2.868 8.352 -0.059 1.00 0.00 C ATOM 1334 C ASN A 94 2.518 7.605 -1.346 1.00 0.00 C ATOM 1335 O ASN A 94 3.392 6.956 -1.915 1.00 0.00 O ATOM 1336 CB ASN A 94 3.957 9.337 -0.462 1.00 0.00 C ATOM 1337 CG ASN A 94 3.403 10.456 -1.324 1.00 0.00 C ATOM 1338 OD1 ASN A 94 2.358 11.045 -1.093 1.00 0.00 O ATOM 1339 ND2 ASN A 94 4.167 10.916 -2.326 1.00 0.00 N ATOM 0 H ASN A 94 4.140 6.847 0.557 1.00 0.00 H new ATOM 0 HA ASN A 94 1.989 8.832 0.372 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.417 9.758 0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 94 4.741 8.811 -1.006 1.00 0.00 H new ATOM 0 HD21 ASN A 94 3.868 11.730 -2.863 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.047 10.452 -2.551 1.00 0.00 H new ATOM 1346 N VAL A 95 1.302 7.832 -1.848 1.00 0.00 N ATOM 1347 CA VAL A 95 0.842 7.138 -3.028 1.00 0.00 C ATOM 1348 C VAL A 95 0.649 8.026 -4.255 1.00 0.00 C ATOM 1349 O VAL A 95 0.204 9.157 -4.084 1.00 0.00 O ATOM 1350 CB VAL A 95 -0.440 6.396 -2.680 1.00 0.00 C ATOM 1351 CG1 VAL A 95 -1.086 5.629 -3.841 1.00 0.00 C ATOM 1352 CG2 VAL A 95 -0.111 5.266 -1.701 1.00 0.00 C ATOM 0 H VAL A 95 0.630 8.489 -1.451 1.00 0.00 H new ATOM 0 HA VAL A 95 1.629 6.443 -3.321 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.105 7.180 -2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.992 5.135 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.338 6.325 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.387 4.881 -4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.024 4.728 -1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.597 4.579 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.328 5.685 -0.796 1.00 0.00 H new ATOM 1362 N THR A 96 0.872 7.550 -5.489 1.00 0.00 N ATOM 1363 CA THR A 96 0.619 8.318 -6.686 1.00 0.00 C ATOM 1364 C THR A 96 0.076 7.445 -7.807 1.00 0.00 C ATOM 1365 O THR A 96 0.315 6.229 -7.786 1.00 0.00 O ATOM 1366 CB THR A 96 1.914 8.947 -7.185 1.00 0.00 C ATOM 1367 OG1 THR A 96 2.917 7.965 -7.291 1.00 0.00 O ATOM 1368 CG2 THR A 96 2.560 10.079 -6.383 1.00 0.00 C ATOM 0 H THR A 96 1.235 6.614 -5.670 1.00 0.00 H new ATOM 0 HA THR A 96 -0.116 9.080 -6.427 1.00 0.00 H new ATOM 0 HB THR A 96 1.571 9.393 -8.119 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.745 8.377 -7.614 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.472 10.405 -6.884 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.866 10.916 -6.311 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.803 9.723 -5.382 1.00 0.00 H new ATOM 1376 N LEU A 97 -0.521 8.068 -8.812 1.00 0.00 N ATOM 1377 CA LEU A 97 -1.624 7.495 -9.562 1.00 0.00 C ATOM 1378 C LEU A 97 -1.490 7.927 -11.009 1.00 0.00 C ATOM 1379 O LEU A 97 -1.628 9.117 -11.279 1.00 0.00 O ATOM 1380 CB LEU A 97 -2.894 7.943 -8.847 1.00 0.00 C ATOM 1381 CG LEU A 97 -4.219 7.355 -9.320 1.00 0.00 C ATOM 1382 CD1 LEU A 97 -5.349 7.952 -8.468 1.00 0.00 C ATOM 1383 CD2 LEU A 97 -4.594 7.726 -10.751 1.00 0.00 C ATOM 0 H LEU A 97 -0.248 8.997 -9.132 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.641 6.406 -9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.783 7.710 -7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.960 9.028 -8.929 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.099 6.274 -9.242 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.305 7.542 -8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.185 7.703 -7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.360 9.036 -8.586 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.549 7.267 -11.007 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.677 8.809 -10.836 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.824 7.367 -11.434 1.00 0.00 H new ATOM 1395 N ARG A 98 -0.982 7.013 -11.842 1.00 0.00 N ATOM 1396 CA ARG A 98 -0.471 7.355 -13.150 1.00 0.00 C ATOM 1397 C ARG A 98 0.447 8.564 -13.005 1.00 0.00 C ATOM 1398 O ARG A 98 0.280 9.588 -13.665 1.00 0.00 O ATOM 1399 CB ARG A 98 -1.546 7.574 -14.215 1.00 0.00 C ATOM 1400 CG ARG A 98 -1.069 7.520 -15.668 1.00 0.00 C ATOM 1401 CD ARG A 98 -2.162 7.544 -16.735 1.00 0.00 C ATOM 1402 NE ARG A 98 -3.186 6.526 -16.518 1.00 0.00 N ATOM 1403 CZ ARG A 98 -3.349 5.385 -17.204 1.00 0.00 C ATOM 1404 NH1 ARG A 98 -2.700 5.172 -18.350 1.00 0.00 N1+ ATOM 1405 NH2 ARG A 98 -4.117 4.388 -16.738 1.00 0.00 N ATOM 0 H ARG A 98 -0.919 6.020 -11.618 1.00 0.00 H new ATOM 0 HA ARG A 98 0.087 6.496 -13.523 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.323 6.821 -14.080 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.010 8.545 -14.041 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.401 8.364 -15.842 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.479 6.614 -15.802 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.631 8.528 -16.746 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.710 7.395 -17.715 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.849 6.702 -15.763 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.068 5.883 -18.718 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.836 4.298 -18.858 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.594 4.488 -15.842 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.224 3.531 -17.280 1.00 0.00 H new ATOM 1419 N GLY A 99 1.284 8.585 -11.967 1.00 0.00 N ATOM 1420 CA GLY A 99 2.288 9.573 -11.631 1.00 0.00 C ATOM 1421 C GLY A 99 1.903 10.811 -10.836 1.00 0.00 C ATOM 1422 O GLY A 99 2.802 11.559 -10.475 1.00 0.00 O ATOM 0 H GLY A 99 1.267 7.833 -11.278 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.072 9.061 -11.073 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.732 9.914 -12.566 1.00 0.00 H new ATOM 1426 N ASN A 100 0.638 10.924 -10.417 1.00 0.00 N ATOM 1427 CA ASN A 100 0.073 12.062 -9.706 1.00 0.00 C ATOM 1428 C ASN A 100 -0.376 11.725 -8.300 1.00 0.00 C ATOM 1429 O ASN A 100 -0.879 10.642 -7.988 1.00 0.00 O ATOM 1430 CB ASN A 100 -1.067 12.525 -10.609 1.00 0.00 C ATOM 1431 CG ASN A 100 -0.664 12.974 -12.005 1.00 0.00 C ATOM 1432 OD1 ASN A 100 0.357 13.600 -12.276 1.00 0.00 O ATOM 1433 ND2 ASN A 100 -1.587 12.702 -12.935 1.00 0.00 N ATOM 0 H ASN A 100 -0.048 10.186 -10.575 1.00 0.00 H new ATOM 0 HA ASN A 100 0.808 12.848 -9.536 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.785 11.710 -10.703 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.583 13.350 -10.117 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -1.451 13.017 -13.896 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -2.426 12.180 -12.683 1.00 0.00 H new ATOM 1440 N PRO A 101 -0.273 12.697 -7.396 1.00 0.00 N ATOM 1441 CA PRO A 101 -0.600 12.557 -5.993 1.00 0.00 C ATOM 1442 C PRO A 101 -2.109 12.513 -5.782 1.00 0.00 C ATOM 1443 O PRO A 101 -2.892 12.856 -6.667 1.00 0.00 O ATOM 1444 CB PRO A 101 0.038 13.728 -5.265 1.00 0.00 C ATOM 1445 CG PRO A 101 0.131 14.822 -6.318 1.00 0.00 C ATOM 1446 CD PRO A 101 0.070 14.085 -7.653 1.00 0.00 C ATOM 0 HA PRO A 101 -0.214 11.617 -5.599 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -0.567 14.045 -4.415 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.022 13.466 -4.876 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.688 15.534 -6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.058 15.387 -6.220 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.672 14.544 -8.306 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.030 14.150 -8.166 1.00 0.00 H new ATOM 1454 N ILE A 102 -2.528 12.045 -4.611 1.00 0.00 N ATOM 1455 CA ILE A 102 -3.879 11.635 -4.287 1.00 0.00 C ATOM 1456 C ILE A 102 -4.296 12.045 -2.883 1.00 0.00 C ATOM 1457 O ILE A 102 -3.462 12.626 -2.181 1.00 0.00 O ATOM 1458 CB ILE A 102 -4.111 10.133 -4.449 1.00 0.00 C ATOM 1459 CG1 ILE A 102 -3.517 9.341 -3.280 1.00 0.00 C ATOM 1460 CG2 ILE A 102 -3.585 9.651 -5.802 1.00 0.00 C ATOM 1461 CD1 ILE A 102 -3.943 7.883 -3.429 1.00 0.00 C ATOM 0 H ILE A 102 -1.892 11.938 -3.821 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.499 12.161 -5.013 1.00 0.00 H new ATOM 0 HB ILE A 102 -5.185 9.950 -4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.430 9.422 -3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.867 9.745 -2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.759 8.579 -5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -4.105 10.177 -6.603 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.516 9.853 -5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.531 7.298 -2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.031 7.818 -3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.571 7.490 -4.375 1.00 0.00 H new ATOM 1473 N LYS A 103 -5.537 11.836 -2.452 1.00 0.00 N ATOM 1474 CA LYS A 103 -6.087 12.362 -1.220 1.00 0.00 C ATOM 1475 C LYS A 103 -5.737 11.545 0.007 1.00 0.00 C ATOM 1476 O LYS A 103 -5.241 10.417 -0.094 1.00 0.00 O ATOM 1477 CB LYS A 103 -7.592 12.396 -1.481 1.00 0.00 C ATOM 1478 CG LYS A 103 -7.971 13.530 -2.428 1.00 0.00 C ATOM 1479 CD LYS A 103 -9.469 13.786 -2.571 1.00 0.00 C ATOM 1480 CE LYS A 103 -9.865 15.254 -2.796 1.00 0.00 C ATOM 1481 NZ LYS A 103 -9.269 15.798 -4.024 1.00 0.00 N1+ ATOM 0 H LYS A 103 -6.207 11.273 -2.976 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.671 13.341 -0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.910 11.444 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -8.123 12.516 -0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.494 14.446 -2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.561 13.311 -3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.844 13.193 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.970 13.425 -1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -10.951 15.333 -2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.546 15.851 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.559 16.790 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.232 15.746 -3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.593 15.244 -4.842 1.00 0.00 H new ATOM 1495 N ASN A 104 -5.922 12.129 1.187 1.00 0.00 N ATOM 1496 CA ASN A 104 -5.695 11.558 2.493 1.00 0.00 C ATOM 1497 C ASN A 104 -4.315 10.970 2.754 1.00 0.00 C ATOM 1498 O ASN A 104 -4.142 9.907 3.352 1.00 0.00 O ATOM 1499 CB ASN A 104 -6.902 10.659 2.742 1.00 0.00 C ATOM 1500 CG ASN A 104 -8.217 11.425 2.775 1.00 0.00 C ATOM 1501 OD1 ASN A 104 -8.969 11.444 1.803 1.00 0.00 O ATOM 1502 ND2 ASN A 104 -8.522 12.044 3.910 1.00 0.00 N ATOM 0 H ASN A 104 -6.261 13.089 1.250 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.639 12.334 3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.950 9.900 1.962 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.769 10.135 3.689 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.402 12.554 3.992 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.877 12.010 4.699 1.00 0.00 H new ATOM 1509 N MET A 105 -3.284 11.653 2.266 1.00 0.00 N ATOM 1510 CA MET A 105 -1.901 11.222 2.208 1.00 0.00 C ATOM 1511 C MET A 105 -1.058 12.303 2.880 1.00 0.00 C ATOM 1512 O MET A 105 -1.614 13.360 3.167 1.00 0.00 O ATOM 1513 CB MET A 105 -1.391 11.225 0.762 1.00 0.00 C ATOM 1514 CG MET A 105 -1.870 9.887 0.186 1.00 0.00 C ATOM 1515 SD MET A 105 -0.760 8.513 0.595 1.00 0.00 S ATOM 1516 CE MET A 105 -1.819 7.384 1.528 1.00 0.00 C ATOM 0 H MET A 105 -3.407 12.587 1.875 1.00 0.00 H new ATOM 0 HA MET A 105 -1.833 10.233 2.662 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.795 12.067 0.200 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.305 11.308 0.724 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.868 9.668 0.566 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.953 9.971 -0.898 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.238 6.517 1.843 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.212 7.896 2.406 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.646 7.057 0.898 1.00 0.00 H new ATOM 1526 N PRO A 106 0.228 12.110 3.182 1.00 0.00 N ATOM 1527 CA PRO A 106 0.842 10.863 3.594 1.00 0.00 C ATOM 1528 C PRO A 106 0.412 10.278 4.928 1.00 0.00 C ATOM 1529 O PRO A 106 -0.231 10.937 5.735 1.00 0.00 O ATOM 1530 CB PRO A 106 2.334 11.161 3.558 1.00 0.00 C ATOM 1531 CG PRO A 106 2.368 12.647 3.913 1.00 0.00 C ATOM 1532 CD PRO A 106 1.071 13.270 3.418 1.00 0.00 C ATOM 0 HA PRO A 106 0.518 10.070 2.920 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.888 10.557 4.276 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.766 10.966 2.576 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.470 12.781 4.990 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.227 13.132 3.449 1.00 0.00 H new ATOM 0 HD2 PRO A 106 0.637 13.942 4.158 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.223 13.852 2.509 1.00 0.00 H new ATOM 1540 N ILE A 107 0.816 9.020 5.166 1.00 0.00 N ATOM 1541 CA ILE A 107 0.319 8.208 6.258 1.00 0.00 C ATOM 1542 C ILE A 107 1.476 7.448 6.882 1.00 0.00 C ATOM 1543 O ILE A 107 2.434 7.058 6.235 1.00 0.00 O ATOM 1544 CB ILE A 107 -0.977 7.460 5.972 1.00 0.00 C ATOM 1545 CG1 ILE A 107 -0.741 6.403 4.900 1.00 0.00 C ATOM 1546 CG2 ILE A 107 -2.142 8.415 5.716 1.00 0.00 C ATOM 1547 CD1 ILE A 107 -1.973 5.640 4.442 1.00 0.00 C ATOM 0 H ILE A 107 1.508 8.543 4.589 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.061 8.852 7.051 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.293 6.911 6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.293 6.886 4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.012 5.686 5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -3.046 7.840 5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.297 9.043 6.593 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.914 9.044 4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.689 4.915 3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -2.415 5.119 5.291 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.700 6.338 4.027 1.00 0.00 H new ATOM 1559 N ASP A 108 1.440 7.367 8.221 1.00 0.00 N ATOM 1560 CA ASP A 108 2.518 6.912 9.071 1.00 0.00 C ATOM 1561 C ASP A 108 2.364 5.553 9.734 1.00 0.00 C ATOM 1562 O ASP A 108 1.352 5.264 10.377 1.00 0.00 O ATOM 1563 CB ASP A 108 2.935 7.953 10.094 1.00 0.00 C ATOM 1564 CG ASP A 108 3.538 9.209 9.489 1.00 0.00 C ATOM 1565 OD1 ASP A 108 2.852 10.224 9.210 1.00 0.00 O ATOM 1566 OD2 ASP A 108 4.773 9.274 9.288 1.00 0.00 O1- ATOM 0 H ASP A 108 0.611 7.633 8.753 1.00 0.00 H new ATOM 0 HA ASP A 108 3.315 6.764 8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.065 8.231 10.689 1.00 0.00 H new ATOM 0 HB3 ASP A 108 3.659 7.507 10.776 1.00 0.00 H new ATOM 1571 N VAL A 109 3.437 4.755 9.789 1.00 0.00 N ATOM 1572 CA VAL A 109 3.416 3.330 10.020 1.00 0.00 C ATOM 1573 C VAL A 109 4.662 2.925 10.807 1.00 0.00 C ATOM 1574 O VAL A 109 5.775 3.030 10.309 1.00 0.00 O ATOM 1575 CB VAL A 109 3.264 2.587 8.691 1.00 0.00 C ATOM 1576 CG1 VAL A 109 3.437 1.077 8.805 1.00 0.00 C ATOM 1577 CG2 VAL A 109 1.921 2.830 8.011 1.00 0.00 C ATOM 0 H VAL A 109 4.383 5.116 9.666 1.00 0.00 H new ATOM 0 HA VAL A 109 2.554 3.051 10.626 1.00 0.00 H new ATOM 0 HB VAL A 109 4.071 3.005 8.090 1.00 0.00 H new ATOM 0 HG11 VAL A 109 3.315 0.622 7.822 1.00 0.00 H new ATOM 0 HG12 VAL A 109 4.433 0.853 9.188 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.687 0.675 9.487 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.881 2.273 7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.116 2.497 8.666 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.804 3.894 7.806 1.00 0.00 H new ATOM 1587 N LYS A 110 4.496 2.442 12.042 1.00 0.00 N ATOM 1588 CA LYS A 110 5.646 2.054 12.852 1.00 0.00 C ATOM 1589 C LYS A 110 6.100 0.667 12.418 1.00 0.00 C ATOM 1590 O LYS A 110 5.273 -0.195 12.122 1.00 0.00 O ATOM 1591 CB LYS A 110 5.214 2.015 14.309 1.00 0.00 C ATOM 1592 CG LYS A 110 6.381 2.034 15.295 1.00 0.00 C ATOM 1593 CD LYS A 110 5.789 2.258 16.679 1.00 0.00 C ATOM 1594 CE LYS A 110 6.868 1.881 17.682 1.00 0.00 C ATOM 1595 NZ LYS A 110 6.479 2.180 19.062 1.00 0.00 N1+ ATOM 0 H LYS A 110 3.591 2.313 12.494 1.00 0.00 H new ATOM 0 HA LYS A 110 6.464 2.763 12.727 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.566 2.868 14.510 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.620 1.117 14.479 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.932 1.094 15.259 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.086 2.827 15.044 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.488 3.298 16.807 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.897 1.648 16.822 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.088 0.817 17.592 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.786 2.417 17.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.247 1.905 19.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.295 3.199 19.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.618 1.649 19.303 1.00 0.00 H new ATOM 1609 N CYS A 111 7.435 0.634 12.507 1.00 0.00 N ATOM 1610 CA CYS A 111 8.365 -0.440 12.214 1.00 0.00 C ATOM 1611 C CYS A 111 9.110 -0.850 13.476 1.00 0.00 C ATOM 1612 O CYS A 111 9.525 -0.081 14.334 1.00 0.00 O ATOM 1613 CB CYS A 111 9.368 0.155 11.231 1.00 0.00 C ATOM 1614 SG CYS A 111 8.549 0.590 9.680 1.00 0.00 S ATOM 0 H CYS A 111 7.938 1.462 12.825 1.00 0.00 H new ATOM 0 HA CYS A 111 7.850 -1.316 11.820 1.00 0.00 H new ATOM 0 HB2 CYS A 111 9.831 1.041 11.666 1.00 0.00 H new ATOM 0 HB3 CYS A 111 10.167 -0.561 11.039 1.00 0.00 H new ATOM 0 HG CYS A 111 9.213 0.085 8.682 1.00 0.00 H new ATOM 1620 N ILE A 112 9.207 -2.178 13.496 1.00 0.00 N ATOM 1621 CA ILE A 112 10.012 -2.892 14.469 1.00 0.00 C ATOM 1622 C ILE A 112 10.860 -4.006 13.854 1.00 0.00 C ATOM 1623 O ILE A 112 10.312 -4.890 13.203 1.00 0.00 O ATOM 1624 CB ILE A 112 9.269 -3.511 15.647 1.00 0.00 C ATOM 1625 CG1 ILE A 112 8.555 -2.447 16.481 1.00 0.00 C ATOM 1626 CG2 ILE A 112 10.171 -4.268 16.616 1.00 0.00 C ATOM 1627 CD1 ILE A 112 7.670 -3.051 17.575 1.00 0.00 C ATOM 0 H ILE A 112 8.726 -2.786 12.833 1.00 0.00 H new ATOM 0 HA ILE A 112 10.630 -2.078 14.849 1.00 0.00 H new ATOM 0 HB ILE A 112 8.569 -4.204 15.180 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.296 -1.792 16.939 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.944 -1.827 15.825 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.570 -4.679 17.427 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.672 -5.079 16.088 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.917 -3.587 17.027 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.188 -2.251 18.136 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.909 -3.684 17.119 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.283 -3.649 18.250 1.00 0.00 H new ATOM 1639 N GLU A 113 12.185 -4.079 13.976 1.00 0.00 N ATOM 1640 CA GLU A 113 13.038 -4.921 13.158 1.00 0.00 C ATOM 1641 C GLU A 113 13.022 -6.401 13.510 1.00 0.00 C ATOM 1642 O GLU A 113 14.079 -7.019 13.469 1.00 0.00 O ATOM 1643 CB GLU A 113 14.391 -4.238 13.000 1.00 0.00 C ATOM 1644 CG GLU A 113 14.934 -3.662 14.307 1.00 0.00 C ATOM 1645 CD GLU A 113 16.295 -2.988 14.194 1.00 0.00 C ATOM 1646 OE1 GLU A 113 17.343 -3.609 13.953 1.00 0.00 O ATOM 1647 OE2 GLU A 113 16.367 -1.739 14.280 1.00 0.00 O1- ATOM 0 H GLU A 113 12.703 -3.537 14.667 1.00 0.00 H new ATOM 0 HA GLU A 113 12.618 -5.002 12.155 1.00 0.00 H new ATOM 0 HB2 GLU A 113 15.108 -4.956 12.602 1.00 0.00 H new ATOM 0 HB3 GLU A 113 14.302 -3.436 12.267 1.00 0.00 H new ATOM 0 HG2 GLU A 113 14.217 -2.938 14.693 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.002 -4.465 15.041 1.00 0.00 H new ATOM 1654 N GLY A 114 11.895 -7.023 13.842 1.00 0.00 N ATOM 1655 CA GLY A 114 11.715 -8.458 13.993 1.00 0.00 C ATOM 1656 C GLY A 114 11.943 -9.286 12.734 1.00 0.00 C ATOM 0 H GLY A 114 11.034 -6.506 14.023 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.396 -8.812 14.767 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.702 -8.644 14.350 1.00 0.00 H new