USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 453 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 44 CYS SG : rot 5:sc= 0.427 USER MOD Set 1.2: A 69 MET CE :methyl -179:sc= -1.3 (180deg=-1.13) USER MOD Set 2.1: A 22 MET CE :methyl -158:sc= 0 (180deg=-0.483) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= -1.89! USER MOD Single : A 11 SER OG : rot 180:sc= 0.124 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 14 HIS : no HD1:sc= -0.168 X(o=-0.17,f=0.022) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 1.01 (180deg=0.797) USER MOD Single : A 21 ASN : amide:sc= 0.112 K(o=0.11,f=-0.76) USER MOD Single : A 23 THR OG1 : rot 52:sc= 0.0726 USER MOD Single : A 25 HIS : no HE2:sc= -2.86! C(o=-2.9!,f=-6.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 126:sc= -2.04 USER MOD Single : A 51 THR OG1 : rot -158:sc= 1.25 USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= 0.817 (180deg=0.518) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= 0.28 (180deg=-0.673!) USER MOD Single : A 74 GLN : amide:sc= -0.0171 K(o=-0.017,f=-1.5) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -51.875 23.341 -4.511 1.00 0.00 N ATOM 122 CA PRO A 9 -53.072 24.013 -3.969 1.00 0.00 C ATOM 123 C PRO A 9 -52.706 24.852 -2.733 1.00 0.00 C ATOM 124 O PRO A 9 -53.125 25.998 -2.602 1.00 0.00 O ATOM 125 CB PRO A 9 -54.001 22.849 -3.601 1.00 0.00 C ATOM 126 CG PRO A 9 -53.094 21.609 -3.417 1.00 0.00 C ATOM 127 CD PRO A 9 -51.791 21.899 -4.187 1.00 0.00 C ATOM 0 HA PRO A 9 -53.533 24.708 -4.672 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -54.552 23.066 -2.686 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -54.739 22.678 -4.385 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -52.889 21.432 -2.361 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -53.580 20.713 -3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -50.912 21.677 -3.581 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -51.718 21.292 -5.089 1.00 0.00 H new ATOM 135 N ILE A 10 -51.928 24.303 -1.830 1.00 0.00 N ATOM 136 CA ILE A 10 -51.525 25.066 -0.601 1.00 0.00 C ATOM 137 C ILE A 10 -50.988 26.452 -0.996 1.00 0.00 C ATOM 138 O ILE A 10 -51.442 27.475 -0.484 1.00 0.00 O ATOM 139 CB ILE A 10 -50.443 24.281 0.155 1.00 0.00 C ATOM 140 CG1 ILE A 10 -51.039 22.981 0.701 1.00 0.00 C ATOM 141 CG2 ILE A 10 -49.916 25.118 1.324 1.00 0.00 C ATOM 142 CD1 ILE A 10 -49.909 22.013 1.054 1.00 0.00 C ATOM 0 H ILE A 10 -51.553 23.356 -1.890 1.00 0.00 H new ATOM 0 HA ILE A 10 -52.394 25.197 0.044 1.00 0.00 H new ATOM 0 HB ILE A 10 -49.626 24.054 -0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -51.644 23.188 1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -51.700 22.531 -0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -49.149 24.556 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -49.488 26.046 0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -50.735 25.349 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -50.332 21.087 1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -49.322 21.797 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -49.266 22.464 1.810 1.00 0.00 H new ATOM 154 N SER A 11 -50.041 26.504 -1.902 1.00 0.00 N ATOM 155 CA SER A 11 -49.483 27.823 -2.339 1.00 0.00 C ATOM 156 C SER A 11 -50.616 28.704 -2.874 1.00 0.00 C ATOM 157 O SER A 11 -50.906 29.762 -2.320 1.00 0.00 O ATOM 158 CB SER A 11 -48.438 27.611 -3.442 1.00 0.00 C ATOM 159 OG SER A 11 -48.000 26.253 -3.428 1.00 0.00 O ATOM 0 H SER A 11 -49.630 25.689 -2.358 1.00 0.00 H new ATOM 0 HA SER A 11 -49.010 28.310 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 11 -48.865 27.856 -4.414 1.00 0.00 H new ATOM 0 HB3 SER A 11 -47.591 28.279 -3.288 1.00 0.00 H new ATOM 0 HG SER A 11 -47.334 26.117 -4.134 1.00 0.00 H new ATOM 165 N GLN A 12 -51.268 28.282 -3.931 1.00 0.00 N ATOM 166 CA GLN A 12 -52.390 29.091 -4.504 1.00 0.00 C ATOM 167 C GLN A 12 -53.404 29.449 -3.407 1.00 0.00 C ATOM 168 O GLN A 12 -53.930 30.558 -3.375 1.00 0.00 O ATOM 169 CB GLN A 12 -53.076 28.296 -5.618 1.00 0.00 C ATOM 170 CG GLN A 12 -52.668 28.887 -6.974 1.00 0.00 C ATOM 171 CD GLN A 12 -53.085 27.948 -8.105 1.00 0.00 C ATOM 172 OE1 GLN A 12 -54.076 27.236 -8.002 1.00 0.00 O ATOM 173 NE2 GLN A 12 -52.379 27.912 -9.193 1.00 0.00 N ATOM 0 H GLN A 12 -51.071 27.410 -4.423 1.00 0.00 H new ATOM 0 HA GLN A 12 -51.988 30.016 -4.917 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -52.789 27.246 -5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -54.159 28.338 -5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -53.136 29.862 -7.110 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -51.590 29.044 -7.001 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -51.553 28.503 -9.284 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -52.650 27.293 -9.957 1.00 0.00 H new ATOM 182 N VAL A 13 -53.679 28.547 -2.495 1.00 0.00 N ATOM 183 CA VAL A 13 -54.643 28.867 -1.394 1.00 0.00 C ATOM 184 C VAL A 13 -54.093 30.058 -0.593 1.00 0.00 C ATOM 185 O VAL A 13 -54.793 31.043 -0.351 1.00 0.00 O ATOM 186 CB VAL A 13 -54.810 27.644 -0.472 1.00 0.00 C ATOM 187 CG1 VAL A 13 -55.506 28.059 0.825 1.00 0.00 C ATOM 188 CG2 VAL A 13 -55.661 26.578 -1.165 1.00 0.00 C ATOM 0 H VAL A 13 -53.280 27.609 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 13 -55.617 29.121 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 13 -53.822 27.241 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -55.620 27.189 1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -54.906 28.813 1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -56.488 28.471 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -55.774 25.717 -0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -56.644 26.990 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -55.173 26.266 -2.088 1.00 0.00 H new ATOM 198 N HIS A 14 -52.845 30.000 -0.205 1.00 0.00 N ATOM 199 CA HIS A 14 -52.238 31.138 0.545 1.00 0.00 C ATOM 200 C HIS A 14 -52.215 32.368 -0.374 1.00 0.00 C ATOM 201 O HIS A 14 -52.461 33.497 0.056 1.00 0.00 O ATOM 202 CB HIS A 14 -50.811 30.764 0.958 1.00 0.00 C ATOM 203 CG HIS A 14 -50.851 29.912 2.196 1.00 0.00 C ATOM 204 ND1 HIS A 14 -50.342 30.346 3.408 1.00 0.00 N ATOM 205 CD2 HIS A 14 -51.340 28.651 2.425 1.00 0.00 C ATOM 206 CE1 HIS A 14 -50.536 29.361 4.305 1.00 0.00 C ATOM 207 NE2 HIS A 14 -51.141 28.304 3.757 1.00 0.00 N ATOM 0 H HIS A 14 -52.220 29.212 -0.376 1.00 0.00 H new ATOM 0 HA HIS A 14 -52.819 31.360 1.440 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -50.317 30.225 0.149 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -50.227 31.666 1.144 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -51.809 28.022 1.683 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -50.239 29.419 5.342 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -51.401 27.431 4.216 1.00 0.00 H new ATOM 215 N GLU A 15 -51.941 32.158 -1.636 1.00 0.00 N ATOM 216 CA GLU A 15 -51.911 33.285 -2.614 1.00 0.00 C ATOM 217 C GLU A 15 -53.294 33.950 -2.684 1.00 0.00 C ATOM 218 O GLU A 15 -53.423 35.155 -2.481 1.00 0.00 O ATOM 219 CB GLU A 15 -51.541 32.742 -4.001 1.00 0.00 C ATOM 220 CG GLU A 15 -50.051 32.360 -4.038 1.00 0.00 C ATOM 221 CD GLU A 15 -49.813 31.232 -5.049 1.00 0.00 C ATOM 222 OE1 GLU A 15 -50.358 31.305 -6.140 1.00 0.00 O ATOM 223 OE2 GLU A 15 -49.085 30.313 -4.716 1.00 0.00 O ATOM 0 H GLU A 15 -51.734 31.242 -2.034 1.00 0.00 H new ATOM 0 HA GLU A 15 -51.172 34.020 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -52.154 31.871 -4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -51.751 33.493 -4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -49.453 33.230 -4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -49.726 32.043 -3.047 1.00 0.00 H new ATOM 230 N ILE A 16 -54.332 33.196 -2.964 1.00 0.00 N ATOM 231 CA ILE A 16 -55.699 33.797 -3.053 1.00 0.00 C ATOM 232 C ILE A 16 -56.110 34.405 -1.704 1.00 0.00 C ATOM 233 O ILE A 16 -56.797 35.426 -1.656 1.00 0.00 O ATOM 234 CB ILE A 16 -56.713 32.724 -3.477 1.00 0.00 C ATOM 235 CG1 ILE A 16 -56.750 31.593 -2.446 1.00 0.00 C ATOM 236 CG2 ILE A 16 -56.316 32.148 -4.838 1.00 0.00 C ATOM 237 CD1 ILE A 16 -57.899 30.639 -2.775 1.00 0.00 C ATOM 0 H ILE A 16 -54.290 32.191 -3.134 1.00 0.00 H new ATOM 0 HA ILE A 16 -55.683 34.591 -3.799 1.00 0.00 H new ATOM 0 HB ILE A 16 -57.699 33.183 -3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -55.803 31.053 -2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -56.880 32.004 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -57.038 31.387 -5.136 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -56.303 32.946 -5.581 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -55.325 31.700 -4.768 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -57.925 29.834 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -58.843 31.184 -2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -57.749 30.218 -3.769 1.00 0.00 H new ATOM 249 N GLY A 17 -55.704 33.810 -0.609 1.00 0.00 N ATOM 250 CA GLY A 17 -56.072 34.366 0.732 1.00 0.00 C ATOM 251 C GLY A 17 -55.458 35.761 0.899 1.00 0.00 C ATOM 252 O GLY A 17 -56.138 36.714 1.278 1.00 0.00 O ATOM 0 H GLY A 17 -55.134 32.964 -0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -57.156 34.421 0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -55.715 33.704 1.521 1.00 0.00 H new ATOM 256 N ILE A 18 -54.187 35.898 0.623 1.00 0.00 N ATOM 257 CA ILE A 18 -53.519 37.233 0.765 1.00 0.00 C ATOM 258 C ILE A 18 -53.800 38.109 -0.468 1.00 0.00 C ATOM 259 O ILE A 18 -53.927 39.327 -0.359 1.00 0.00 O ATOM 260 CB ILE A 18 -52.007 37.019 0.942 1.00 0.00 C ATOM 261 CG1 ILE A 18 -51.715 36.742 2.417 1.00 0.00 C ATOM 262 CG2 ILE A 18 -51.233 38.270 0.512 1.00 0.00 C ATOM 263 CD1 ILE A 18 -51.935 35.257 2.712 1.00 0.00 C ATOM 0 H ILE A 18 -53.579 35.143 0.305 1.00 0.00 H new ATOM 0 HA ILE A 18 -53.917 37.748 1.639 1.00 0.00 H new ATOM 0 HB ILE A 18 -51.695 36.178 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -50.689 37.022 2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -52.365 37.349 3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -50.164 38.100 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -51.439 38.483 -0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -51.544 39.118 1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -51.727 35.060 3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -52.969 34.991 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -51.266 34.660 2.092 1.00 0.00 H new ATOM 275 N LYS A 19 -53.906 37.527 -1.637 1.00 0.00 N ATOM 276 CA LYS A 19 -54.184 38.348 -2.859 1.00 0.00 C ATOM 277 C LYS A 19 -55.526 39.085 -2.720 1.00 0.00 C ATOM 278 O LYS A 19 -55.775 40.067 -3.427 1.00 0.00 O ATOM 279 CB LYS A 19 -54.225 37.448 -4.099 1.00 0.00 C ATOM 280 CG LYS A 19 -52.965 37.672 -4.938 1.00 0.00 C ATOM 281 CD LYS A 19 -53.229 38.765 -5.982 1.00 0.00 C ATOM 282 CE LYS A 19 -53.071 40.149 -5.344 1.00 0.00 C ATOM 283 NZ LYS A 19 -54.394 40.849 -5.337 1.00 0.00 N ATOM 0 H LYS A 19 -53.813 36.524 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 19 -53.385 39.082 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -54.293 36.402 -3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -55.113 37.669 -4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -52.134 37.963 -4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -52.676 36.745 -5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -52.535 38.658 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -54.234 38.656 -6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -52.694 40.051 -4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -52.340 40.736 -5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -54.269 41.824 -4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -54.784 40.864 -6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -55.050 40.345 -4.706 1.00 0.00 H new ATOM 297 N ARG A 20 -56.386 38.639 -1.837 1.00 0.00 N ATOM 298 CA ARG A 20 -57.704 39.316 -1.650 1.00 0.00 C ATOM 299 C ARG A 20 -57.781 39.905 -0.230 1.00 0.00 C ATOM 300 O ARG A 20 -57.608 41.107 -0.037 1.00 0.00 O ATOM 301 CB ARG A 20 -58.835 38.299 -1.862 1.00 0.00 C ATOM 302 CG ARG A 20 -59.143 38.173 -3.358 1.00 0.00 C ATOM 303 CD ARG A 20 -58.469 36.918 -3.915 1.00 0.00 C ATOM 304 NE ARG A 20 -59.515 35.899 -4.236 1.00 0.00 N ATOM 305 CZ ARG A 20 -59.886 35.710 -5.458 1.00 0.00 C ATOM 306 NH1 ARG A 20 -60.851 36.410 -5.950 1.00 0.00 N ATOM 307 NH2 ARG A 20 -59.284 34.829 -6.182 1.00 0.00 N ATOM 0 H ARG A 20 -56.229 37.830 -1.235 1.00 0.00 H new ATOM 0 HA ARG A 20 -57.810 40.123 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -58.545 37.329 -1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -59.728 38.616 -1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -60.220 38.120 -3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -58.787 39.056 -3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -57.898 37.164 -4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -57.764 36.516 -3.187 1.00 0.00 H new ATOM 0 HE ARG A 20 -59.937 35.351 -3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -61.318 37.110 -5.374 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -61.147 36.263 -6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -58.517 34.284 -5.789 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -59.575 34.677 -7.148 1.00 0.00 H new ATOM 321 N ASN A 21 -58.029 39.082 0.765 1.00 0.00 N ATOM 322 CA ASN A 21 -58.116 39.593 2.176 1.00 0.00 C ATOM 323 C ASN A 21 -58.530 38.454 3.133 1.00 0.00 C ATOM 324 O ASN A 21 -59.468 38.592 3.920 1.00 0.00 O ATOM 325 CB ASN A 21 -59.157 40.725 2.244 1.00 0.00 C ATOM 326 CG ASN A 21 -60.468 40.274 1.594 1.00 0.00 C ATOM 327 OD1 ASN A 21 -60.705 40.520 0.419 1.00 0.00 O ATOM 328 ND2 ASN A 21 -61.338 39.618 2.297 1.00 0.00 N ATOM 0 H ASN A 21 -58.175 38.078 0.662 1.00 0.00 H new ATOM 0 HA ASN A 21 -57.139 39.970 2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -59.334 41.005 3.282 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -58.776 41.611 1.736 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -62.212 39.311 1.870 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -61.148 39.409 3.277 1.00 0.00 H new ATOM 335 N MET A 22 -57.862 37.329 3.083 1.00 0.00 N ATOM 336 CA MET A 22 -58.244 36.198 3.987 1.00 0.00 C ATOM 337 C MET A 22 -57.000 35.545 4.616 1.00 0.00 C ATOM 338 O MET A 22 -56.121 35.037 3.921 1.00 0.00 O ATOM 339 CB MET A 22 -59.015 35.153 3.173 1.00 0.00 C ATOM 340 CG MET A 22 -60.488 35.560 3.080 1.00 0.00 C ATOM 341 SD MET A 22 -61.456 34.169 2.446 1.00 0.00 S ATOM 342 CE MET A 22 -63.056 35.013 2.388 1.00 0.00 C ATOM 0 H MET A 22 -57.075 37.144 2.461 1.00 0.00 H new ATOM 0 HA MET A 22 -58.866 36.587 4.793 1.00 0.00 H new ATOM 0 HB2 MET A 22 -58.587 35.067 2.174 1.00 0.00 H new ATOM 0 HB3 MET A 22 -58.927 34.173 3.643 1.00 0.00 H new ATOM 0 HG2 MET A 22 -60.857 35.857 4.061 1.00 0.00 H new ATOM 0 HG3 MET A 22 -60.598 36.423 2.423 1.00 0.00 H new ATOM 0 HE1 MET A 22 -63.858 34.275 2.404 1.00 0.00 H new ATOM 0 HE2 MET A 22 -63.152 35.671 3.251 1.00 0.00 H new ATOM 0 HE3 MET A 22 -63.124 35.602 1.473 1.00 0.00 H new ATOM 352 N THR A 23 -56.925 35.532 5.923 1.00 0.00 N ATOM 353 CA THR A 23 -55.758 34.895 6.617 1.00 0.00 C ATOM 354 C THR A 23 -55.942 33.377 6.614 1.00 0.00 C ATOM 355 O THR A 23 -56.752 32.838 7.364 1.00 0.00 O ATOM 356 CB THR A 23 -55.693 35.385 8.067 1.00 0.00 C ATOM 357 OG1 THR A 23 -57.012 35.615 8.542 1.00 0.00 O ATOM 358 CG2 THR A 23 -54.903 36.688 8.134 1.00 0.00 C ATOM 0 H THR A 23 -57.625 35.937 6.545 1.00 0.00 H new ATOM 0 HA THR A 23 -54.837 35.162 6.099 1.00 0.00 H new ATOM 0 HB THR A 23 -55.202 34.631 8.682 1.00 0.00 H new ATOM 0 HG1 THR A 23 -57.560 34.818 8.383 1.00 0.00 H new ATOM 0 HG21 THR A 23 -54.859 37.034 9.167 1.00 0.00 H new ATOM 0 HG22 THR A 23 -53.892 36.520 7.764 1.00 0.00 H new ATOM 0 HG23 THR A 23 -55.393 37.443 7.519 1.00 0.00 H new ATOM 366 N VAL A 24 -55.221 32.678 5.780 1.00 0.00 N ATOM 367 CA VAL A 24 -55.368 31.189 5.724 1.00 0.00 C ATOM 368 C VAL A 24 -54.274 30.518 6.572 1.00 0.00 C ATOM 369 O VAL A 24 -53.075 30.679 6.329 1.00 0.00 O ATOM 370 CB VAL A 24 -55.279 30.722 4.263 1.00 0.00 C ATOM 371 CG1 VAL A 24 -53.898 31.038 3.685 1.00 0.00 C ATOM 372 CG2 VAL A 24 -55.516 29.214 4.195 1.00 0.00 C ATOM 0 H VAL A 24 -54.536 33.070 5.134 1.00 0.00 H new ATOM 0 HA VAL A 24 -56.339 30.904 6.130 1.00 0.00 H new ATOM 0 HB VAL A 24 -56.037 31.246 3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -53.851 30.701 2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -53.724 32.113 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -53.133 30.525 4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -55.453 28.882 3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -54.759 28.700 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -56.505 28.983 4.590 1.00 0.00 H new ATOM 382 N HIS A 25 -54.663 29.774 7.574 1.00 0.00 N ATOM 383 CA HIS A 25 -53.650 29.100 8.447 1.00 0.00 C ATOM 384 C HIS A 25 -54.018 27.616 8.637 1.00 0.00 C ATOM 385 O HIS A 25 -55.099 27.283 9.120 1.00 0.00 O ATOM 386 CB HIS A 25 -53.603 29.810 9.809 1.00 0.00 C ATOM 387 CG HIS A 25 -53.424 31.296 9.612 1.00 0.00 C ATOM 388 ND1 HIS A 25 -52.570 31.819 8.655 1.00 0.00 N ATOM 389 CD2 HIS A 25 -53.981 32.380 10.245 1.00 0.00 C ATOM 390 CE1 HIS A 25 -52.633 33.161 8.742 1.00 0.00 C ATOM 391 NE2 HIS A 25 -53.479 33.555 9.695 1.00 0.00 N ATOM 0 H HIS A 25 -55.636 29.603 7.827 1.00 0.00 H new ATOM 0 HA HIS A 25 -52.670 29.157 7.974 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -54.523 29.616 10.361 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -52.783 29.413 10.407 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -51.997 31.284 8.002 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -54.700 32.328 11.049 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -52.068 33.836 8.117 1.00 0.00 H new ATOM 399 N PHE A 26 -53.132 26.722 8.262 1.00 0.00 N ATOM 400 CA PHE A 26 -53.410 25.253 8.409 1.00 0.00 C ATOM 401 C PHE A 26 -52.607 24.683 9.592 1.00 0.00 C ATOM 402 O PHE A 26 -51.495 24.169 9.420 1.00 0.00 O ATOM 403 CB PHE A 26 -52.990 24.532 7.122 1.00 0.00 C ATOM 404 CG PHE A 26 -53.994 24.802 6.029 1.00 0.00 C ATOM 405 CD1 PHE A 26 -55.118 23.982 5.898 1.00 0.00 C ATOM 406 CD2 PHE A 26 -53.797 25.868 5.143 1.00 0.00 C ATOM 407 CE1 PHE A 26 -56.048 24.228 4.883 1.00 0.00 C ATOM 408 CE2 PHE A 26 -54.727 26.112 4.127 1.00 0.00 C ATOM 409 CZ PHE A 26 -55.853 25.293 3.997 1.00 0.00 C ATOM 0 H PHE A 26 -52.223 26.947 7.858 1.00 0.00 H new ATOM 0 HA PHE A 26 -54.474 25.104 8.592 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -52.002 24.871 6.811 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -52.917 23.460 7.303 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -55.268 23.159 6.580 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -52.928 26.501 5.244 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -56.918 23.595 4.783 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -54.575 26.933 3.442 1.00 0.00 H new ATOM 0 HZ PHE A 26 -56.572 25.482 3.213 1.00 0.00 H new ATOM 419 N LYS A 27 -53.143 24.760 10.781 1.00 0.00 N ATOM 420 CA LYS A 27 -52.411 24.236 11.979 1.00 0.00 C ATOM 421 C LYS A 27 -52.880 22.814 12.338 1.00 0.00 C ATOM 422 O LYS A 27 -53.988 22.397 12.011 1.00 0.00 O ATOM 423 CB LYS A 27 -52.677 25.172 13.165 1.00 0.00 C ATOM 424 CG LYS A 27 -51.694 24.868 14.300 1.00 0.00 C ATOM 425 CD LYS A 27 -51.853 25.917 15.405 1.00 0.00 C ATOM 426 CE LYS A 27 -50.861 25.630 16.532 1.00 0.00 C ATOM 427 NZ LYS A 27 -50.955 26.716 17.553 1.00 0.00 N ATOM 0 H LYS A 27 -54.059 25.164 10.978 1.00 0.00 H new ATOM 0 HA LYS A 27 -51.346 24.196 11.751 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -52.573 26.210 12.850 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -53.701 25.046 13.516 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -51.880 23.871 14.700 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -50.672 24.874 13.922 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -51.681 26.915 15.001 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -52.872 25.901 15.791 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -51.079 24.665 16.989 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -49.847 25.573 16.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -50.282 26.527 18.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -50.727 27.629 17.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -51.921 26.749 17.937 1.00 0.00 H new ATOM 441 N VAL A 28 -52.051 22.074 13.027 1.00 0.00 N ATOM 442 CA VAL A 28 -52.428 20.687 13.447 1.00 0.00 C ATOM 443 C VAL A 28 -52.722 20.699 14.956 1.00 0.00 C ATOM 444 O VAL A 28 -52.313 21.619 15.671 1.00 0.00 O ATOM 445 CB VAL A 28 -51.267 19.726 13.146 1.00 0.00 C ATOM 446 CG1 VAL A 28 -51.700 18.285 13.420 1.00 0.00 C ATOM 447 CG2 VAL A 28 -50.866 19.845 11.674 1.00 0.00 C ATOM 0 H VAL A 28 -51.121 22.372 13.320 1.00 0.00 H new ATOM 0 HA VAL A 28 -53.310 20.353 12.901 1.00 0.00 H new ATOM 0 HB VAL A 28 -50.423 19.986 13.784 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -50.872 17.609 13.205 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -51.988 18.184 14.466 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -52.549 18.033 12.784 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -50.043 19.162 11.465 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -51.718 19.591 11.043 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -50.552 20.867 11.464 1.00 0.00 H new ATOM 457 N LEU A 29 -53.422 19.716 15.460 1.00 0.00 N ATOM 458 CA LEU A 29 -53.737 19.697 16.924 1.00 0.00 C ATOM 459 C LEU A 29 -52.912 18.609 17.624 1.00 0.00 C ATOM 460 O LEU A 29 -52.015 18.899 18.416 1.00 0.00 O ATOM 461 CB LEU A 29 -55.238 19.422 17.137 1.00 0.00 C ATOM 462 CG LEU A 29 -56.066 20.105 16.046 1.00 0.00 C ATOM 463 CD1 LEU A 29 -57.516 19.639 16.141 1.00 0.00 C ATOM 464 CD2 LEU A 29 -56.015 21.620 16.236 1.00 0.00 C ATOM 0 H LEU A 29 -53.789 18.928 14.926 1.00 0.00 H new ATOM 0 HA LEU A 29 -53.486 20.669 17.349 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -55.423 18.348 17.124 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -55.545 19.786 18.117 1.00 0.00 H new ATOM 0 HG LEU A 29 -55.658 19.844 15.069 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -58.106 20.125 15.364 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -57.560 18.558 16.007 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -57.919 19.900 17.120 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -56.605 22.104 15.458 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -56.422 21.878 17.214 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -54.981 21.960 16.172 1.00 0.00 H new ATOM 476 N ARG A 30 -53.203 17.370 17.340 1.00 0.00 N ATOM 477 CA ARG A 30 -52.458 16.233 17.970 1.00 0.00 C ATOM 478 C ARG A 30 -53.090 14.911 17.515 1.00 0.00 C ATOM 479 O ARG A 30 -53.933 14.335 18.204 1.00 0.00 O ATOM 480 CB ARG A 30 -52.540 16.343 19.499 1.00 0.00 C ATOM 481 CG ARG A 30 -51.443 15.483 20.131 1.00 0.00 C ATOM 482 CD ARG A 30 -50.804 16.245 21.292 1.00 0.00 C ATOM 483 NE ARG A 30 -49.501 15.601 21.643 1.00 0.00 N ATOM 484 CZ ARG A 30 -49.473 14.567 22.419 1.00 0.00 C ATOM 485 NH1 ARG A 30 -49.699 13.394 21.932 1.00 0.00 N ATOM 486 NH2 ARG A 30 -49.221 14.715 23.677 1.00 0.00 N ATOM 0 H ARG A 30 -53.936 17.089 16.689 1.00 0.00 H new ATOM 0 HA ARG A 30 -51.412 16.267 17.667 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -52.425 17.382 19.806 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -53.520 16.015 19.846 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -51.863 14.542 20.487 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -50.687 15.233 19.386 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -50.646 17.287 21.016 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -51.469 16.242 22.155 1.00 0.00 H new ATOM 0 HE ARG A 30 -48.631 15.979 21.269 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -49.899 13.284 20.938 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -49.678 12.576 22.541 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -49.045 15.646 24.056 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -49.198 13.901 24.292 1.00 0.00 H new ATOM 631 N PHE A 40 -55.669 11.713 10.742 1.00 0.00 N ATOM 632 CA PHE A 40 -55.134 13.099 10.962 1.00 0.00 C ATOM 633 C PHE A 40 -56.247 14.147 10.778 1.00 0.00 C ATOM 634 O PHE A 40 -57.215 13.935 10.046 1.00 0.00 O ATOM 635 CB PHE A 40 -54.009 13.366 9.959 1.00 0.00 C ATOM 636 CG PHE A 40 -52.752 12.671 10.424 1.00 0.00 C ATOM 637 CD1 PHE A 40 -51.972 13.239 11.437 1.00 0.00 C ATOM 638 CD2 PHE A 40 -52.373 11.453 9.849 1.00 0.00 C ATOM 639 CE1 PHE A 40 -50.812 12.590 11.875 1.00 0.00 C ATOM 640 CE2 PHE A 40 -51.212 10.803 10.286 1.00 0.00 C ATOM 641 CZ PHE A 40 -50.431 11.372 11.300 1.00 0.00 C ATOM 0 HA PHE A 40 -54.754 13.174 11.981 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -54.294 13.005 8.971 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -53.834 14.438 9.868 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -52.265 14.179 11.881 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -52.976 11.014 9.068 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -50.210 13.029 12.657 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -50.919 9.863 9.841 1.00 0.00 H new ATOM 0 HZ PHE A 40 -49.536 10.871 11.638 1.00 0.00 H new ATOM 651 N ILE A 41 -56.120 15.276 11.427 1.00 0.00 N ATOM 652 CA ILE A 41 -57.158 16.352 11.305 1.00 0.00 C ATOM 653 C ILE A 41 -56.489 17.735 11.410 1.00 0.00 C ATOM 654 O ILE A 41 -56.450 18.350 12.475 1.00 0.00 O ATOM 655 CB ILE A 41 -58.196 16.199 12.430 1.00 0.00 C ATOM 656 CG1 ILE A 41 -58.725 14.762 12.464 1.00 0.00 C ATOM 657 CG2 ILE A 41 -59.368 17.153 12.185 1.00 0.00 C ATOM 658 CD1 ILE A 41 -59.586 14.563 13.713 1.00 0.00 C ATOM 0 H ILE A 41 -55.338 15.503 12.041 1.00 0.00 H new ATOM 0 HA ILE A 41 -57.654 16.263 10.338 1.00 0.00 H new ATOM 0 HB ILE A 41 -57.719 16.435 13.381 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -59.312 14.558 11.569 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -57.893 14.057 12.467 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -60.101 17.042 12.984 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -59.004 18.180 12.168 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -59.835 16.917 11.229 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -59.962 13.540 13.736 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -58.985 14.749 14.603 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -60.426 15.258 13.691 1.00 0.00 H new ATOM 670 N THR A 42 -55.973 18.244 10.322 1.00 0.00 N ATOM 671 CA THR A 42 -55.316 19.592 10.359 1.00 0.00 C ATOM 672 C THR A 42 -56.392 20.685 10.383 1.00 0.00 C ATOM 673 O THR A 42 -57.193 20.812 9.459 1.00 0.00 O ATOM 674 CB THR A 42 -54.424 19.768 9.118 1.00 0.00 C ATOM 675 OG1 THR A 42 -53.176 19.120 9.329 1.00 0.00 O ATOM 676 CG2 THR A 42 -54.166 21.253 8.863 1.00 0.00 C ATOM 0 H THR A 42 -55.976 17.789 9.409 1.00 0.00 H new ATOM 0 HA THR A 42 -54.701 19.671 11.255 1.00 0.00 H new ATOM 0 HB THR A 42 -54.933 19.331 8.259 1.00 0.00 H new ATOM 0 HG1 THR A 42 -53.004 18.494 8.595 1.00 0.00 H new ATOM 0 HG21 THR A 42 -53.534 21.366 7.982 1.00 0.00 H new ATOM 0 HG22 THR A 42 -55.114 21.764 8.697 1.00 0.00 H new ATOM 0 HG23 THR A 42 -53.666 21.689 9.728 1.00 0.00 H new ATOM 684 N ALA A 43 -56.424 21.483 11.415 1.00 0.00 N ATOM 685 CA ALA A 43 -57.443 22.574 11.494 1.00 0.00 C ATOM 686 C ALA A 43 -57.034 23.728 10.562 1.00 0.00 C ATOM 687 O ALA A 43 -55.868 24.126 10.511 1.00 0.00 O ATOM 688 CB ALA A 43 -57.531 23.071 12.941 1.00 0.00 C ATOM 0 H ALA A 43 -55.788 21.428 12.210 1.00 0.00 H new ATOM 0 HA ALA A 43 -58.417 22.197 11.181 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -58.272 23.867 13.008 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -57.824 22.247 13.592 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -56.559 23.453 13.254 1.00 0.00 H new ATOM 694 N CYS A 44 -57.963 24.271 9.819 1.00 0.00 N ATOM 695 CA CYS A 44 -57.615 25.390 8.891 1.00 0.00 C ATOM 696 C CYS A 44 -58.494 26.613 9.172 1.00 0.00 C ATOM 697 O CYS A 44 -59.721 26.520 9.262 1.00 0.00 O ATOM 698 CB CYS A 44 -57.814 24.935 7.440 1.00 0.00 C ATOM 699 SG CYS A 44 -59.471 24.238 7.231 1.00 0.00 S ATOM 0 H CYS A 44 -58.944 23.990 9.814 1.00 0.00 H new ATOM 0 HA CYS A 44 -56.572 25.665 9.049 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -57.678 25.779 6.764 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -57.062 24.191 7.177 1.00 0.00 H new ATOM 0 HG CYS A 44 -60.147 24.390 8.331 1.00 0.00 H new ATOM 705 N ILE A 45 -57.889 27.762 9.299 1.00 0.00 N ATOM 706 CA ILE A 45 -58.678 29.002 9.557 1.00 0.00 C ATOM 707 C ILE A 45 -58.521 29.957 8.370 1.00 0.00 C ATOM 708 O ILE A 45 -57.444 30.074 7.784 1.00 0.00 O ATOM 709 CB ILE A 45 -58.187 29.683 10.845 1.00 0.00 C ATOM 710 CG1 ILE A 45 -59.216 30.725 11.284 1.00 0.00 C ATOM 711 CG2 ILE A 45 -56.844 30.380 10.603 1.00 0.00 C ATOM 712 CD1 ILE A 45 -59.056 31.004 12.778 1.00 0.00 C ATOM 0 H ILE A 45 -56.880 27.897 9.235 1.00 0.00 H new ATOM 0 HA ILE A 45 -59.729 28.742 9.679 1.00 0.00 H new ATOM 0 HB ILE A 45 -58.060 28.926 11.619 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -59.082 31.645 10.715 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -60.224 30.366 11.077 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -56.510 30.857 11.525 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -56.104 29.645 10.287 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -56.961 31.135 9.825 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -59.790 31.747 13.090 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -59.211 30.082 13.339 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -58.052 31.382 12.972 1.00 0.00 H new ATOM 724 N VAL A 46 -59.571 30.639 8.006 1.00 0.00 N ATOM 725 CA VAL A 46 -59.486 31.593 6.861 1.00 0.00 C ATOM 726 C VAL A 46 -60.121 32.932 7.271 1.00 0.00 C ATOM 727 O VAL A 46 -60.927 32.992 8.201 1.00 0.00 O ATOM 728 CB VAL A 46 -60.209 30.989 5.647 1.00 0.00 C ATOM 729 CG1 VAL A 46 -61.724 31.111 5.813 1.00 0.00 C ATOM 730 CG2 VAL A 46 -59.781 31.723 4.377 1.00 0.00 C ATOM 0 H VAL A 46 -60.486 30.578 8.452 1.00 0.00 H new ATOM 0 HA VAL A 46 -58.445 31.772 6.591 1.00 0.00 H new ATOM 0 HB VAL A 46 -59.943 29.935 5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -62.221 30.679 4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -62.036 30.579 6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -61.997 32.163 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -60.295 31.293 3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -60.038 32.779 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -58.704 31.622 4.244 1.00 0.00 H new ATOM 740 N GLY A 47 -59.765 34.008 6.608 1.00 0.00 N ATOM 741 CA GLY A 47 -60.337 35.356 6.967 1.00 0.00 C ATOM 742 C GLY A 47 -61.847 35.384 6.706 1.00 0.00 C ATOM 743 O GLY A 47 -62.325 36.088 5.818 1.00 0.00 O ATOM 0 H GLY A 47 -59.103 34.015 5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -60.139 35.574 8.016 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -59.846 36.134 6.382 1.00 0.00 H new ATOM 747 N SER A 48 -62.595 34.630 7.466 1.00 0.00 N ATOM 748 CA SER A 48 -64.083 34.579 7.296 1.00 0.00 C ATOM 749 C SER A 48 -64.664 33.423 8.124 1.00 0.00 C ATOM 750 O SER A 48 -65.743 33.542 8.701 1.00 0.00 O ATOM 751 CB SER A 48 -64.443 34.359 5.822 1.00 0.00 C ATOM 752 OG SER A 48 -63.652 33.299 5.294 1.00 0.00 O ATOM 0 H SER A 48 -62.234 34.035 8.212 1.00 0.00 H new ATOM 0 HA SER A 48 -64.501 35.527 7.636 1.00 0.00 H new ATOM 0 HB2 SER A 48 -65.502 34.119 5.727 1.00 0.00 H new ATOM 0 HB3 SER A 48 -64.271 35.273 5.254 1.00 0.00 H new ATOM 0 HG SER A 48 -63.882 33.157 4.352 1.00 0.00 H new ATOM 758 N ILE A 49 -63.980 32.302 8.189 1.00 0.00 N ATOM 759 CA ILE A 49 -64.512 31.138 8.974 1.00 0.00 C ATOM 760 C ILE A 49 -63.382 30.150 9.319 1.00 0.00 C ATOM 761 O ILE A 49 -62.213 30.357 8.984 1.00 0.00 O ATOM 762 CB ILE A 49 -65.585 30.389 8.159 1.00 0.00 C ATOM 763 CG1 ILE A 49 -65.805 31.049 6.792 1.00 0.00 C ATOM 764 CG2 ILE A 49 -66.905 30.394 8.931 1.00 0.00 C ATOM 765 CD1 ILE A 49 -66.585 30.096 5.886 1.00 0.00 C ATOM 0 H ILE A 49 -63.081 32.143 7.735 1.00 0.00 H new ATOM 0 HA ILE A 49 -64.948 31.529 9.893 1.00 0.00 H new ATOM 0 HB ILE A 49 -65.240 29.367 8.001 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -66.352 31.984 6.911 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -64.846 31.297 6.337 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -67.665 29.865 8.356 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -66.766 29.898 9.892 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -67.226 31.422 9.096 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -66.742 30.564 4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -66.020 29.173 5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -67.550 29.871 6.340 1.00 0.00 H new ATOM 777 N VAL A 50 -63.721 29.068 9.976 1.00 0.00 N ATOM 778 CA VAL A 50 -62.698 28.036 10.346 1.00 0.00 C ATOM 779 C VAL A 50 -63.298 26.639 10.139 1.00 0.00 C ATOM 780 O VAL A 50 -64.475 26.411 10.413 1.00 0.00 O ATOM 781 CB VAL A 50 -62.302 28.174 11.824 1.00 0.00 C ATOM 782 CG1 VAL A 50 -60.852 27.727 12.011 1.00 0.00 C ATOM 783 CG2 VAL A 50 -62.435 29.627 12.286 1.00 0.00 C ATOM 0 H VAL A 50 -64.672 28.852 10.275 1.00 0.00 H new ATOM 0 HA VAL A 50 -61.818 28.179 9.719 1.00 0.00 H new ATOM 0 HB VAL A 50 -62.968 27.548 12.418 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -60.573 27.826 13.060 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -60.750 26.686 11.705 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -60.198 28.350 11.402 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -62.150 29.703 13.335 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -61.782 30.261 11.686 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -63.468 29.954 12.166 1.00 0.00 H new ATOM 793 N THR A 51 -62.509 25.706 9.684 1.00 0.00 N ATOM 794 CA THR A 51 -63.025 24.310 9.471 1.00 0.00 C ATOM 795 C THR A 51 -61.924 23.299 9.809 1.00 0.00 C ATOM 796 O THR A 51 -60.731 23.618 9.777 1.00 0.00 O ATOM 797 CB THR A 51 -63.440 24.119 8.004 1.00 0.00 C ATOM 798 OG1 THR A 51 -64.187 25.242 7.560 1.00 0.00 O ATOM 799 CG2 THR A 51 -64.302 22.864 7.875 1.00 0.00 C ATOM 0 H THR A 51 -61.526 25.843 9.448 1.00 0.00 H new ATOM 0 HA THR A 51 -63.888 24.152 10.117 1.00 0.00 H new ATOM 0 HB THR A 51 -62.543 24.016 7.394 1.00 0.00 H new ATOM 0 HG1 THR A 51 -64.739 24.985 6.792 1.00 0.00 H new ATOM 0 HG21 THR A 51 -64.596 22.730 6.834 1.00 0.00 H new ATOM 0 HG22 THR A 51 -63.732 21.996 8.206 1.00 0.00 H new ATOM 0 HG23 THR A 51 -65.194 22.970 8.493 1.00 0.00 H new ATOM 807 N GLU A 52 -62.283 22.085 10.128 1.00 0.00 N ATOM 808 CA GLU A 52 -61.244 21.061 10.456 1.00 0.00 C ATOM 809 C GLU A 52 -60.884 20.262 9.197 1.00 0.00 C ATOM 810 O GLU A 52 -61.747 19.793 8.452 1.00 0.00 O ATOM 811 CB GLU A 52 -61.755 20.109 11.543 1.00 0.00 C ATOM 812 CG GLU A 52 -63.092 19.481 11.115 1.00 0.00 C ATOM 813 CD GLU A 52 -64.252 20.209 11.792 1.00 0.00 C ATOM 814 OE1 GLU A 52 -64.654 21.240 11.278 1.00 0.00 O ATOM 815 OE2 GLU A 52 -64.716 19.724 12.807 1.00 0.00 O ATOM 0 H GLU A 52 -63.247 21.756 10.176 1.00 0.00 H new ATOM 0 HA GLU A 52 -60.356 21.573 10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -61.019 19.326 11.726 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -61.883 20.651 12.480 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -63.199 19.537 10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -63.109 18.425 11.383 1.00 0.00 H new ATOM 822 N GLY A 53 -59.619 20.102 8.940 1.00 0.00 N ATOM 823 CA GLY A 53 -59.190 19.343 7.732 1.00 0.00 C ATOM 824 C GLY A 53 -58.880 17.895 8.104 1.00 0.00 C ATOM 825 O GLY A 53 -57.725 17.517 8.297 1.00 0.00 O ATOM 0 H GLY A 53 -58.859 20.465 9.516 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -59.975 19.372 6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -58.308 19.811 7.293 1.00 0.00 H new ATOM 829 N GLU A 54 -59.891 17.083 8.208 1.00 0.00 N ATOM 830 CA GLU A 54 -59.685 15.650 8.564 1.00 0.00 C ATOM 831 C GLU A 54 -59.137 14.865 7.359 1.00 0.00 C ATOM 832 O GLU A 54 -59.588 15.018 6.222 1.00 0.00 O ATOM 833 CB GLU A 54 -61.021 15.040 8.998 1.00 0.00 C ATOM 834 CG GLU A 54 -62.128 15.441 8.010 1.00 0.00 C ATOM 835 CD GLU A 54 -62.725 14.193 7.358 1.00 0.00 C ATOM 836 OE1 GLU A 54 -63.516 13.537 8.003 1.00 0.00 O ATOM 837 OE2 GLU A 54 -62.394 13.934 6.210 1.00 0.00 O ATOM 0 H GLU A 54 -60.864 17.352 8.060 1.00 0.00 H new ATOM 0 HA GLU A 54 -58.963 15.592 9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -60.937 13.954 9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -61.277 15.381 10.001 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -62.907 15.997 8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -61.722 16.102 7.245 1.00 0.00 H new ATOM 844 N GLY A 55 -58.175 14.021 7.604 1.00 0.00 N ATOM 845 CA GLY A 55 -57.574 13.182 6.517 1.00 0.00 C ATOM 846 C GLY A 55 -57.160 11.838 7.114 1.00 0.00 C ATOM 847 O GLY A 55 -56.584 11.777 8.196 1.00 0.00 O ATOM 0 H GLY A 55 -57.769 13.871 8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -58.294 13.033 5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -56.710 13.686 6.083 1.00 0.00 H new ATOM 943 N LYS A 62 -53.126 16.816 5.237 1.00 0.00 N ATOM 944 CA LYS A 62 -53.140 18.285 4.938 1.00 0.00 C ATOM 945 C LYS A 62 -53.827 18.525 3.584 1.00 0.00 C ATOM 946 O LYS A 62 -54.556 19.499 3.408 1.00 0.00 O ATOM 947 CB LYS A 62 -51.700 18.816 4.892 1.00 0.00 C ATOM 948 CG LYS A 62 -51.155 18.971 6.318 1.00 0.00 C ATOM 949 CD LYS A 62 -51.584 20.328 6.894 1.00 0.00 C ATOM 950 CE LYS A 62 -50.399 21.299 6.894 1.00 0.00 C ATOM 951 NZ LYS A 62 -50.301 21.959 8.233 1.00 0.00 N ATOM 0 HA LYS A 62 -53.689 18.810 5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -51.069 18.132 4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -51.673 19.776 4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -51.527 18.164 6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -50.068 18.896 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -52.402 20.740 6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -51.958 20.199 7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -49.476 20.764 6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -50.529 22.050 6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -49.343 22.343 8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -50.994 22.732 8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -50.498 21.262 8.979 1.00 0.00 H new ATOM 965 N LYS A 63 -53.620 17.645 2.632 1.00 0.00 N ATOM 966 CA LYS A 63 -54.279 17.812 1.297 1.00 0.00 C ATOM 967 C LYS A 63 -55.802 17.808 1.492 1.00 0.00 C ATOM 968 O LYS A 63 -56.477 18.793 1.213 1.00 0.00 O ATOM 969 CB LYS A 63 -53.873 16.661 0.365 1.00 0.00 C ATOM 970 CG LYS A 63 -52.373 16.749 0.055 1.00 0.00 C ATOM 971 CD LYS A 63 -52.001 15.713 -1.015 1.00 0.00 C ATOM 972 CE LYS A 63 -52.222 14.296 -0.479 1.00 0.00 C ATOM 973 NZ LYS A 63 -50.926 13.749 0.018 1.00 0.00 N ATOM 0 H LYS A 63 -53.025 16.821 2.721 1.00 0.00 H new ATOM 0 HA LYS A 63 -53.965 18.754 0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -54.102 15.704 0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -54.448 16.709 -0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -52.123 17.751 -0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -51.794 16.573 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -52.605 15.870 -1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -50.959 15.840 -1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -52.957 14.310 0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -52.623 13.656 -1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -51.073 12.786 0.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -50.238 13.723 -0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -50.562 14.356 0.780 1.00 0.00 H new ATOM 987 N ARG A 64 -56.346 16.722 1.991 1.00 0.00 N ATOM 988 CA ARG A 64 -57.823 16.649 2.229 1.00 0.00 C ATOM 989 C ARG A 64 -58.265 17.814 3.129 1.00 0.00 C ATOM 990 O ARG A 64 -59.390 18.305 3.029 1.00 0.00 O ATOM 991 CB ARG A 64 -58.165 15.317 2.913 1.00 0.00 C ATOM 992 CG ARG A 64 -58.445 14.242 1.852 1.00 0.00 C ATOM 993 CD ARG A 64 -59.625 14.664 0.971 1.00 0.00 C ATOM 994 NE ARG A 64 -59.165 14.739 -0.452 1.00 0.00 N ATOM 995 CZ ARG A 64 -59.834 14.176 -1.405 1.00 0.00 C ATOM 996 NH1 ARG A 64 -60.288 12.978 -1.264 1.00 0.00 N ATOM 997 NH2 ARG A 64 -60.024 14.809 -2.506 1.00 0.00 N ATOM 0 H ARG A 64 -55.828 15.881 2.244 1.00 0.00 H new ATOM 0 HA ARG A 64 -58.344 16.715 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -57.339 15.004 3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -59.036 15.441 3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -57.559 14.088 1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -58.665 13.291 2.337 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -60.441 13.948 1.066 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -60.010 15.631 1.294 1.00 0.00 H new ATOM 0 HE ARG A 64 -58.307 15.244 -0.674 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -60.120 12.468 -0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -60.815 12.540 -2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -59.648 15.750 -2.625 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -60.551 14.371 -3.262 1.00 0.00 H new ATOM 1011 N ALA A 65 -57.399 18.264 4.004 1.00 0.00 N ATOM 1012 CA ALA A 65 -57.751 19.397 4.908 1.00 0.00 C ATOM 1013 C ALA A 65 -57.906 20.686 4.075 1.00 0.00 C ATOM 1014 O ALA A 65 -58.937 21.362 4.121 1.00 0.00 O ATOM 1015 CB ALA A 65 -56.633 19.578 5.940 1.00 0.00 C ATOM 0 H ALA A 65 -56.458 17.891 4.130 1.00 0.00 H new ATOM 0 HA ALA A 65 -58.690 19.186 5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -56.882 20.405 6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -56.524 18.663 6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -55.696 19.795 5.427 1.00 0.00 H new ATOM 1021 N ALA A 66 -56.900 21.027 3.303 1.00 0.00 N ATOM 1022 CA ALA A 66 -56.973 22.254 2.450 1.00 0.00 C ATOM 1023 C ALA A 66 -58.064 22.073 1.386 1.00 0.00 C ATOM 1024 O ALA A 66 -58.826 22.998 1.093 1.00 0.00 O ATOM 1025 CB ALA A 66 -55.620 22.474 1.767 1.00 0.00 C ATOM 0 H ALA A 66 -56.027 20.504 3.228 1.00 0.00 H new ATOM 0 HA ALA A 66 -57.214 23.118 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -55.668 23.367 1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -54.846 22.601 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -55.381 21.611 1.146 1.00 0.00 H new ATOM 1031 N GLU A 67 -58.155 20.897 0.814 1.00 0.00 N ATOM 1032 CA GLU A 67 -59.199 20.629 -0.222 1.00 0.00 C ATOM 1033 C GLU A 67 -60.568 21.038 0.324 1.00 0.00 C ATOM 1034 O GLU A 67 -61.333 21.745 -0.331 1.00 0.00 O ATOM 1035 CB GLU A 67 -59.206 19.135 -0.553 1.00 0.00 C ATOM 1036 CG GLU A 67 -58.010 18.806 -1.454 1.00 0.00 C ATOM 1037 CD GLU A 67 -58.028 17.325 -1.814 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -58.725 16.973 -2.748 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -57.356 16.557 -1.144 1.00 0.00 O ATOM 0 H GLU A 67 -57.546 20.106 1.023 1.00 0.00 H new ATOM 0 HA GLU A 67 -58.981 21.202 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -59.156 18.548 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -60.137 18.867 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -58.048 19.411 -2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -57.079 19.055 -0.944 1.00 0.00 H new ATOM 1046 N LYS A 68 -60.875 20.625 1.526 1.00 0.00 N ATOM 1047 CA LYS A 68 -62.181 20.997 2.146 1.00 0.00 C ATOM 1048 C LYS A 68 -62.286 22.530 2.219 1.00 0.00 C ATOM 1049 O LYS A 68 -63.218 23.126 1.688 1.00 0.00 O ATOM 1050 CB LYS A 68 -62.258 20.415 3.563 1.00 0.00 C ATOM 1051 CG LYS A 68 -62.348 18.887 3.510 1.00 0.00 C ATOM 1052 CD LYS A 68 -62.061 18.329 4.908 1.00 0.00 C ATOM 1053 CE LYS A 68 -61.649 16.859 4.818 1.00 0.00 C ATOM 1054 NZ LYS A 68 -62.863 16.004 4.952 1.00 0.00 N ATOM 0 H LYS A 68 -60.273 20.042 2.108 1.00 0.00 H new ATOM 0 HA LYS A 68 -62.999 20.599 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -61.379 20.714 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -63.127 20.819 4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -63.339 18.578 3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -61.631 18.491 2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -61.268 18.908 5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -62.947 18.428 5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -61.155 16.664 3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -60.932 16.620 5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -62.578 15.030 5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -63.467 16.375 5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -63.392 16.009 4.057 1.00 0.00 H new ATOM 1068 N MET A 69 -61.335 23.174 2.858 1.00 0.00 N ATOM 1069 CA MET A 69 -61.366 24.671 2.969 1.00 0.00 C ATOM 1070 C MET A 69 -61.612 25.309 1.590 1.00 0.00 C ATOM 1071 O MET A 69 -62.527 26.117 1.421 1.00 0.00 O ATOM 1072 CB MET A 69 -60.030 25.168 3.535 1.00 0.00 C ATOM 1073 CG MET A 69 -60.057 26.697 3.657 1.00 0.00 C ATOM 1074 SD MET A 69 -59.059 27.208 5.077 1.00 0.00 S ATOM 1075 CE MET A 69 -60.421 27.433 6.250 1.00 0.00 C ATOM 0 H MET A 69 -60.537 22.726 3.309 1.00 0.00 H new ATOM 0 HA MET A 69 -62.179 24.958 3.636 1.00 0.00 H new ATOM 0 HB2 MET A 69 -59.848 24.719 4.511 1.00 0.00 H new ATOM 0 HB3 MET A 69 -59.211 24.860 2.885 1.00 0.00 H new ATOM 0 HG2 MET A 69 -59.670 27.152 2.745 1.00 0.00 H new ATOM 0 HG3 MET A 69 -61.083 27.045 3.776 1.00 0.00 H new ATOM 0 HE1 MET A 69 -60.025 27.771 7.207 1.00 0.00 H new ATOM 0 HE2 MET A 69 -61.116 28.177 5.862 1.00 0.00 H new ATOM 0 HE3 MET A 69 -60.943 26.486 6.388 1.00 0.00 H new ATOM 1085 N LEU A 70 -60.814 24.979 0.605 1.00 0.00 N ATOM 1086 CA LEU A 70 -61.016 25.577 -0.748 1.00 0.00 C ATOM 1087 C LEU A 70 -62.399 25.186 -1.289 1.00 0.00 C ATOM 1088 O LEU A 70 -63.152 26.035 -1.757 1.00 0.00 O ATOM 1089 CB LEU A 70 -59.917 25.072 -1.685 1.00 0.00 C ATOM 1090 CG LEU A 70 -58.716 26.033 -1.677 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -58.830 27.000 -2.852 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -58.665 26.842 -0.376 1.00 0.00 C ATOM 0 H LEU A 70 -60.035 24.324 0.680 1.00 0.00 H new ATOM 0 HA LEU A 70 -60.964 26.664 -0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -59.596 24.077 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -60.309 24.979 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 70 -57.806 25.439 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -57.979 27.681 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -58.839 26.438 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -59.753 27.572 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -57.806 27.513 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -59.579 27.427 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -58.573 26.163 0.471 1.00 0.00 H new ATOM 1104 N VAL A 71 -62.759 23.928 -1.218 1.00 0.00 N ATOM 1105 CA VAL A 71 -64.110 23.505 -1.713 1.00 0.00 C ATOM 1106 C VAL A 71 -65.193 24.329 -0.994 1.00 0.00 C ATOM 1107 O VAL A 71 -66.161 24.780 -1.607 1.00 0.00 O ATOM 1108 CB VAL A 71 -64.314 22.009 -1.433 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -65.771 21.624 -1.698 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -63.411 21.188 -2.355 1.00 0.00 C ATOM 0 H VAL A 71 -62.180 23.177 -0.841 1.00 0.00 H new ATOM 0 HA VAL A 71 -64.181 23.677 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 71 -64.065 21.807 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -65.909 20.562 -1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -66.425 22.204 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -66.019 21.832 -2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -63.556 20.126 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -63.663 21.400 -3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -62.369 21.452 -2.173 1.00 0.00 H new ATOM 1120 N GLU A 72 -65.039 24.544 0.289 1.00 0.00 N ATOM 1121 CA GLU A 72 -66.041 25.348 1.055 1.00 0.00 C ATOM 1122 C GLU A 72 -65.996 26.813 0.587 1.00 0.00 C ATOM 1123 O GLU A 72 -67.006 27.386 0.181 1.00 0.00 O ATOM 1124 CB GLU A 72 -65.701 25.298 2.551 1.00 0.00 C ATOM 1125 CG GLU A 72 -66.058 23.923 3.136 1.00 0.00 C ATOM 1126 CD GLU A 72 -65.199 23.637 4.375 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -65.146 24.487 5.253 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -64.615 22.570 4.429 1.00 0.00 O ATOM 0 H GLU A 72 -64.257 24.195 0.842 1.00 0.00 H new ATOM 0 HA GLU A 72 -67.035 24.935 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -64.639 25.497 2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -66.247 26.079 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -67.115 23.896 3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -65.898 23.148 2.387 1.00 0.00 H new ATOM 1135 N LEU A 73 -64.841 27.428 0.649 1.00 0.00 N ATOM 1136 CA LEU A 73 -64.708 28.862 0.228 1.00 0.00 C ATOM 1137 C LEU A 73 -65.034 29.039 -1.269 1.00 0.00 C ATOM 1138 O LEU A 73 -65.476 30.102 -1.694 1.00 0.00 O ATOM 1139 CB LEU A 73 -63.287 29.340 0.556 1.00 0.00 C ATOM 1140 CG LEU A 73 -62.518 29.718 -0.708 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -62.832 31.163 -1.093 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -61.039 29.592 -0.411 1.00 0.00 C ATOM 0 H LEU A 73 -63.976 26.997 0.976 1.00 0.00 H new ATOM 0 HA LEU A 73 -65.428 29.471 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -63.336 30.200 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -62.751 28.554 1.088 1.00 0.00 H new ATOM 0 HG LEU A 73 -62.804 29.063 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -62.281 31.427 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -63.901 31.266 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -62.538 31.828 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -60.466 29.857 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -60.773 30.263 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -60.811 28.565 -0.125 1.00 0.00 H new ATOM 1154 N GLN A 74 -64.831 28.032 -2.074 1.00 0.00 N ATOM 1155 CA GLN A 74 -65.138 28.168 -3.533 1.00 0.00 C ATOM 1156 C GLN A 74 -66.623 27.855 -3.805 1.00 0.00 C ATOM 1157 O GLN A 74 -67.052 27.791 -4.958 1.00 0.00 O ATOM 1158 CB GLN A 74 -64.254 27.199 -4.327 1.00 0.00 C ATOM 1159 CG GLN A 74 -62.814 27.729 -4.367 1.00 0.00 C ATOM 1160 CD GLN A 74 -61.999 26.947 -5.397 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -61.044 26.266 -5.052 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -62.320 27.012 -6.652 1.00 0.00 N ATOM 0 H GLN A 74 -64.467 27.123 -1.789 1.00 0.00 H new ATOM 0 HA GLN A 74 -64.937 29.193 -3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -64.276 26.211 -3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -64.639 27.087 -5.341 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -62.815 28.789 -4.620 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -62.356 27.637 -3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -63.116 27.578 -6.946 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -61.777 26.497 -7.345 1.00 0.00 H new ATOM 1171 N LYS A 75 -67.411 27.651 -2.778 1.00 0.00 N ATOM 1172 CA LYS A 75 -68.859 27.335 -2.986 1.00 0.00 C ATOM 1173 C LYS A 75 -69.756 28.201 -2.077 1.00 0.00 C ATOM 1174 O LYS A 75 -70.979 28.030 -2.058 1.00 0.00 O ATOM 1175 CB LYS A 75 -69.083 25.864 -2.652 1.00 0.00 C ATOM 1176 CG LYS A 75 -70.295 25.344 -3.428 1.00 0.00 C ATOM 1177 CD LYS A 75 -71.012 24.277 -2.597 1.00 0.00 C ATOM 1178 CE LYS A 75 -72.491 24.243 -2.977 1.00 0.00 C ATOM 1179 NZ LYS A 75 -73.044 22.890 -2.671 1.00 0.00 N ATOM 0 H LYS A 75 -67.114 27.690 -1.803 1.00 0.00 H new ATOM 0 HA LYS A 75 -69.121 27.545 -4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -68.197 25.283 -2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -69.245 25.744 -1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -70.976 26.165 -3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -69.977 24.924 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -70.559 23.301 -2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -70.904 24.495 -1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -73.039 25.007 -2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -72.612 24.468 -4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -74.051 22.861 -2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -72.526 22.172 -3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -72.940 22.694 -1.655 1.00 0.00 H new ATOM 1193 N LEU A 76 -69.184 29.104 -1.324 1.00 0.00 N ATOM 1194 CA LEU A 76 -69.994 29.968 -0.418 1.00 0.00 C ATOM 1195 C LEU A 76 -70.195 31.357 -1.053 1.00 0.00 C ATOM 1196 O LEU A 76 -69.207 31.976 -1.427 1.00 0.00 O ATOM 1197 CB LEU A 76 -69.252 30.112 0.912 1.00 0.00 C ATOM 1198 CG LEU A 76 -69.408 28.830 1.728 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -68.362 28.800 2.838 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -70.802 28.791 2.347 1.00 0.00 C ATOM 1201 OXT LEU A 76 -71.336 31.781 -1.147 1.00 0.00 O ATOM 0 H LEU A 76 -68.180 29.281 -1.299 1.00 0.00 H new ATOM 0 HA LEU A 76 -70.972 29.515 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -68.196 30.313 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -69.647 30.961 1.470 1.00 0.00 H new ATOM 0 HG LEU A 76 -69.271 27.967 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -68.475 27.885 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -67.365 28.831 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -68.498 29.663 3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -70.916 27.877 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -70.936 29.655 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -71.552 28.813 1.556 1.00 0.00 H new