USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 431 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 27 MET CE :methyl -178:sc= 0 (180deg=-0.00518) USER MOD Set 1.2: A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 17 GLN : amide:sc= -1.88! C(o=-1.9!,f=-1.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.21) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -45:sc= 1.03 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= 0.0248 (180deg=0.000851) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -80:sc= -0.658 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N TRP A 10 8.985 -12.653 -9.098 1.00 32.25 N ATOM 101 CA TRP A 10 8.526 -11.940 -10.284 1.00 75.32 C ATOM 102 C TRP A 10 7.593 -12.813 -11.117 1.00 65.40 C ATOM 103 O TRP A 10 6.974 -12.342 -12.071 1.00 21.01 O ATOM 104 CB TRP A 10 9.719 -11.495 -11.131 1.00 1.14 C ATOM 105 CG TRP A 10 10.363 -12.617 -11.887 1.00 75.23 C ATOM 106 CD1 TRP A 10 10.977 -13.716 -11.358 1.00 61.12 C ATOM 107 CD2 TRP A 10 10.456 -12.749 -13.310 1.00 2.31 C ATOM 108 NE1 TRP A 10 11.447 -14.523 -12.366 1.00 43.33 N ATOM 109 CE2 TRP A 10 11.140 -13.952 -13.573 1.00 33.01 C ATOM 110 CE3 TRP A 10 10.028 -11.968 -14.387 1.00 75.40 C ATOM 111 CZ2 TRP A 10 11.404 -14.390 -14.868 1.00 11.11 C ATOM 112 CZ3 TRP A 10 10.291 -12.404 -15.672 1.00 31.23 C ATOM 113 CH2 TRP A 10 10.973 -13.606 -15.904 1.00 30.14 C ATOM 0 HA TRP A 10 7.974 -11.059 -9.956 1.00 75.32 H new ATOM 0 HB2 TRP A 10 9.390 -10.733 -11.837 1.00 1.14 H new ATOM 0 HB3 TRP A 10 10.462 -11.030 -10.483 1.00 1.14 H new ATOM 0 HD1 TRP A 10 11.078 -13.921 -10.302 1.00 61.12 H new ATOM 0 HE1 TRP A 10 11.944 -15.404 -12.237 1.00 43.33 H new ATOM 0 HE3 TRP A 10 9.501 -11.040 -14.218 1.00 75.40 H new ATOM 0 HZ2 TRP A 10 11.930 -15.316 -15.049 1.00 11.11 H new ATOM 0 HZ3 TRP A 10 9.965 -11.808 -16.512 1.00 31.23 H new ATOM 0 HH2 TRP A 10 11.162 -13.920 -16.920 1.00 30.14 H new ATOM 124 N ARG A 11 7.498 -14.087 -10.751 1.00 23.34 N ATOM 125 CA ARG A 11 6.642 -15.026 -11.465 1.00 50.05 C ATOM 126 C ARG A 11 5.206 -14.948 -10.956 1.00 54.23 C ATOM 127 O ARG A 11 4.338 -15.702 -11.396 1.00 65.55 O ATOM 128 CB ARG A 11 7.172 -16.453 -11.311 1.00 2.42 C ATOM 129 CG ARG A 11 7.929 -16.956 -12.529 1.00 25.34 C ATOM 130 CD ARG A 11 8.697 -18.232 -12.219 1.00 31.10 C ATOM 131 NE ARG A 11 7.957 -19.426 -12.618 1.00 30.42 N ATOM 132 CZ ARG A 11 8.500 -20.636 -12.695 1.00 24.03 C ATOM 133 NH1 ARG A 11 9.781 -20.811 -12.401 1.00 45.21 N ATOM 134 NH2 ARG A 11 7.762 -21.674 -13.065 1.00 72.24 N ATOM 0 H ARG A 11 8.004 -14.493 -9.964 1.00 23.34 H new ATOM 0 HA ARG A 11 6.651 -14.755 -12.521 1.00 50.05 H new ATOM 0 HB2 ARG A 11 7.829 -16.496 -10.442 1.00 2.42 H new ATOM 0 HB3 ARG A 11 6.335 -17.123 -11.111 1.00 2.42 H new ATOM 0 HG2 ARG A 11 7.229 -17.140 -13.344 1.00 25.34 H new ATOM 0 HG3 ARG A 11 8.622 -16.187 -12.872 1.00 25.34 H new ATOM 0 HD2 ARG A 11 9.657 -18.211 -12.734 1.00 31.10 H new ATOM 0 HD3 ARG A 11 8.909 -18.277 -11.151 1.00 31.10 H new ATOM 0 HE ARG A 11 6.969 -19.325 -12.850 1.00 30.42 H new ATOM 0 HH11 ARG A 11 10.352 -20.016 -12.115 1.00 45.21 H new ATOM 0 HH12 ARG A 11 10.196 -21.741 -12.461 1.00 45.21 H new ATOM 0 HH21 ARG A 11 6.776 -21.544 -13.291 1.00 72.24 H new ATOM 0 HH22 ARG A 11 8.181 -22.602 -13.124 1.00 72.24 H new ATOM 148 N SER A 12 4.962 -14.030 -10.026 1.00 61.02 N ATOM 149 CA SER A 12 3.632 -13.856 -9.454 1.00 3.02 C ATOM 150 C SER A 12 2.709 -13.139 -10.434 1.00 35.31 C ATOM 151 O SER A 12 3.142 -12.273 -11.195 1.00 32.23 O ATOM 152 CB SER A 12 3.716 -13.068 -8.145 1.00 43.12 C ATOM 153 OG SER A 12 2.569 -12.257 -7.964 1.00 13.42 O ATOM 0 H SER A 12 5.668 -13.395 -9.653 1.00 61.02 H new ATOM 0 HA SER A 12 3.219 -14.844 -9.249 1.00 3.02 H new ATOM 0 HB2 SER A 12 3.813 -13.758 -7.307 1.00 43.12 H new ATOM 0 HB3 SER A 12 4.610 -12.444 -8.149 1.00 43.12 H new ATOM 0 HG SER A 12 2.646 -11.765 -7.120 1.00 13.42 H new ATOM 159 N THR A 13 1.431 -13.507 -10.410 1.00 40.31 N ATOM 160 CA THR A 13 0.445 -12.901 -11.296 1.00 70.22 C ATOM 161 C THR A 13 0.389 -11.390 -11.106 1.00 4.21 C ATOM 162 O THR A 13 0.425 -10.631 -12.074 1.00 61.11 O ATOM 163 CB THR A 13 -0.959 -13.489 -11.059 1.00 60.05 C ATOM 164 OG1 THR A 13 -0.865 -14.894 -10.800 1.00 65.12 O ATOM 165 CG2 THR A 13 -1.856 -13.250 -12.265 1.00 11.35 C ATOM 0 H THR A 13 1.055 -14.222 -9.787 1.00 40.31 H new ATOM 0 HA THR A 13 0.758 -13.124 -12.316 1.00 70.22 H new ATOM 0 HB THR A 13 -1.397 -12.989 -10.195 1.00 60.05 H new ATOM 0 HG1 THR A 13 -1.762 -15.259 -10.649 1.00 65.12 H new ATOM 0 HG21 THR A 13 -2.842 -13.674 -12.075 1.00 11.35 H new ATOM 0 HG22 THR A 13 -1.950 -12.179 -12.442 1.00 11.35 H new ATOM 0 HG23 THR A 13 -1.420 -13.726 -13.143 1.00 11.35 H new ATOM 173 N ALA A 14 0.302 -10.959 -9.852 1.00 5.23 N ATOM 174 CA ALA A 14 0.245 -9.537 -9.535 1.00 31.33 C ATOM 175 C ALA A 14 1.407 -8.785 -10.175 1.00 15.44 C ATOM 176 O ALA A 14 1.245 -7.660 -10.649 1.00 13.13 O ATOM 177 CB ALA A 14 0.247 -9.332 -8.027 1.00 61.21 C ATOM 0 H ALA A 14 0.269 -11.574 -9.039 1.00 5.23 H new ATOM 0 HA ALA A 14 -0.682 -9.136 -9.944 1.00 31.33 H new ATOM 0 HB1 ALA A 14 0.204 -8.266 -7.805 1.00 61.21 H new ATOM 0 HB2 ALA A 14 -0.620 -9.829 -7.591 1.00 61.21 H new ATOM 0 HB3 ALA A 14 1.158 -9.755 -7.604 1.00 61.21 H new ATOM 183 N PHE A 15 2.578 -9.412 -10.184 1.00 42.42 N ATOM 184 CA PHE A 15 3.768 -8.800 -10.765 1.00 11.15 C ATOM 185 C PHE A 15 3.592 -8.585 -12.265 1.00 62.30 C ATOM 186 O PHE A 15 3.502 -7.451 -12.734 1.00 45.32 O ATOM 187 CB PHE A 15 4.996 -9.674 -10.503 1.00 70.53 C ATOM 188 CG PHE A 15 6.279 -8.898 -10.422 1.00 12.53 C ATOM 189 CD1 PHE A 15 6.796 -8.270 -11.543 1.00 43.52 C ATOM 190 CD2 PHE A 15 6.967 -8.795 -9.224 1.00 11.45 C ATOM 191 CE1 PHE A 15 7.977 -7.555 -11.471 1.00 11.31 C ATOM 192 CE2 PHE A 15 8.148 -8.081 -9.145 1.00 51.30 C ATOM 193 CZ PHE A 15 8.653 -7.459 -10.270 1.00 71.12 C ATOM 0 H PHE A 15 2.729 -10.343 -9.796 1.00 42.42 H new ATOM 0 HA PHE A 15 3.915 -7.829 -10.292 1.00 11.15 H new ATOM 0 HB2 PHE A 15 4.851 -10.219 -9.570 1.00 70.53 H new ATOM 0 HB3 PHE A 15 5.079 -10.416 -11.297 1.00 70.53 H new ATOM 0 HD1 PHE A 15 6.271 -8.340 -12.484 1.00 43.52 H new ATOM 0 HD2 PHE A 15 6.576 -9.278 -8.341 1.00 11.45 H new ATOM 0 HE1 PHE A 15 8.371 -7.072 -12.353 1.00 11.31 H new ATOM 0 HE2 PHE A 15 8.675 -8.010 -8.205 1.00 51.30 H new ATOM 0 HZ PHE A 15 9.574 -6.899 -10.211 1.00 71.12 H new ATOM 203 N ARG A 16 3.545 -9.683 -13.012 1.00 73.41 N ATOM 204 CA ARG A 16 3.382 -9.616 -14.459 1.00 72.44 C ATOM 205 C ARG A 16 2.145 -8.804 -14.830 1.00 55.11 C ATOM 206 O ARG A 16 2.157 -8.043 -15.798 1.00 24.54 O ATOM 207 CB ARG A 16 3.276 -11.024 -15.048 1.00 34.52 C ATOM 208 CG ARG A 16 3.393 -11.062 -16.563 1.00 3.03 C ATOM 209 CD ARG A 16 2.918 -12.392 -17.126 1.00 34.13 C ATOM 210 NE ARG A 16 1.465 -12.437 -17.271 1.00 1.03 N ATOM 211 CZ ARG A 16 0.831 -13.301 -18.055 1.00 62.24 C ATOM 212 NH1 ARG A 16 1.519 -14.188 -18.762 1.00 33.02 N ATOM 213 NH2 ARG A 16 -0.493 -13.280 -18.134 1.00 52.24 N ATOM 0 H ARG A 16 3.617 -10.630 -12.639 1.00 73.41 H new ATOM 0 HA ARG A 16 4.259 -9.121 -14.875 1.00 72.44 H new ATOM 0 HB2 ARG A 16 4.058 -11.649 -14.616 1.00 34.52 H new ATOM 0 HB3 ARG A 16 2.321 -11.460 -14.755 1.00 34.52 H new ATOM 0 HG2 ARG A 16 2.805 -10.252 -16.995 1.00 3.03 H new ATOM 0 HG3 ARG A 16 4.430 -10.893 -16.853 1.00 3.03 H new ATOM 0 HD2 ARG A 16 3.385 -12.562 -18.096 1.00 34.13 H new ATOM 0 HD3 ARG A 16 3.242 -13.200 -16.470 1.00 34.13 H new ATOM 0 HE ARG A 16 0.907 -11.768 -16.741 1.00 1.03 H new ATOM 0 HH11 ARG A 16 2.537 -14.207 -18.704 1.00 33.02 H new ATOM 0 HH12 ARG A 16 1.030 -14.851 -19.364 1.00 33.02 H new ATOM 0 HH21 ARG A 16 -1.026 -12.599 -17.592 1.00 52.24 H new ATOM 0 HH22 ARG A 16 -0.979 -13.944 -18.737 1.00 52.24 H new ATOM 227 N GLN A 17 1.078 -8.972 -14.054 1.00 45.33 N ATOM 228 CA GLN A 17 -0.167 -8.255 -14.303 1.00 3.24 C ATOM 229 C GLN A 17 0.068 -6.748 -14.326 1.00 61.04 C ATOM 230 O GLN A 17 -0.161 -6.089 -15.341 1.00 23.01 O ATOM 231 CB GLN A 17 -1.203 -8.604 -13.233 1.00 71.52 C ATOM 232 CG GLN A 17 -2.549 -7.932 -13.448 1.00 35.20 C ATOM 233 CD GLN A 17 -2.568 -6.496 -12.964 1.00 14.22 C ATOM 234 OE1 GLN A 17 -2.805 -5.570 -13.740 1.00 41.13 O ATOM 235 NE2 GLN A 17 -2.319 -6.302 -11.674 1.00 62.10 N ATOM 0 H GLN A 17 1.051 -9.598 -13.249 1.00 45.33 H new ATOM 0 HA GLN A 17 -0.544 -8.561 -15.279 1.00 3.24 H new ATOM 0 HB2 GLN A 17 -1.344 -9.685 -13.215 1.00 71.52 H new ATOM 0 HB3 GLN A 17 -0.815 -8.317 -12.256 1.00 71.52 H new ATOM 0 HG2 GLN A 17 -2.798 -7.957 -14.509 1.00 35.20 H new ATOM 0 HG3 GLN A 17 -3.321 -8.498 -12.926 1.00 35.20 H new ATOM 0 HE21 GLN A 17 -2.127 -7.098 -11.066 1.00 62.10 H new ATOM 0 HE22 GLN A 17 -2.319 -5.357 -11.291 1.00 62.10 H new ATOM 244 N LYS A 18 0.526 -6.208 -13.202 1.00 51.32 N ATOM 245 CA LYS A 18 0.793 -4.779 -13.093 1.00 1.50 C ATOM 246 C LYS A 18 1.678 -4.301 -14.240 1.00 22.31 C ATOM 247 O LYS A 18 1.386 -3.294 -14.885 1.00 50.25 O ATOM 248 CB LYS A 18 1.463 -4.465 -11.753 1.00 51.12 C ATOM 249 CG LYS A 18 0.485 -4.053 -10.666 1.00 43.22 C ATOM 250 CD LYS A 18 1.076 -4.253 -9.280 1.00 53.54 C ATOM 251 CE LYS A 18 1.736 -2.982 -8.767 1.00 50.04 C ATOM 252 NZ LYS A 18 3.112 -3.238 -8.260 1.00 65.21 N ATOM 0 H LYS A 18 0.720 -6.739 -12.353 1.00 51.32 H new ATOM 0 HA LYS A 18 -0.160 -4.252 -13.149 1.00 1.50 H new ATOM 0 HB2 LYS A 18 2.017 -5.342 -11.419 1.00 51.12 H new ATOM 0 HB3 LYS A 18 2.190 -3.666 -11.898 1.00 51.12 H new ATOM 0 HG2 LYS A 18 0.212 -3.006 -10.799 1.00 43.22 H new ATOM 0 HG3 LYS A 18 -0.431 -4.636 -10.760 1.00 43.22 H new ATOM 0 HD2 LYS A 18 0.291 -4.561 -8.589 1.00 53.54 H new ATOM 0 HD3 LYS A 18 1.809 -5.059 -9.309 1.00 53.54 H new ATOM 0 HE2 LYS A 18 1.776 -2.244 -9.568 1.00 50.04 H new ATOM 0 HE3 LYS A 18 1.129 -2.554 -7.969 1.00 50.04 H new ATOM 0 HZ1 LYS A 18 3.528 -2.348 -7.919 1.00 65.21 H new ATOM 0 HZ2 LYS A 18 3.072 -3.923 -7.478 1.00 65.21 H new ATOM 0 HZ3 LYS A 18 3.699 -3.623 -9.028 1.00 65.21 H new ATOM 266 N LEU A 19 2.760 -5.031 -14.489 1.00 71.04 N ATOM 267 CA LEU A 19 3.687 -4.683 -15.560 1.00 63.03 C ATOM 268 C LEU A 19 2.979 -4.672 -16.911 1.00 45.44 C ATOM 269 O LEU A 19 3.206 -3.786 -17.736 1.00 4.24 O ATOM 270 CB LEU A 19 4.855 -5.671 -15.592 1.00 12.13 C ATOM 271 CG LEU A 19 6.002 -5.385 -14.622 1.00 62.01 C ATOM 272 CD1 LEU A 19 7.123 -4.636 -15.327 1.00 35.11 C ATOM 273 CD2 LEU A 19 5.502 -4.594 -13.422 1.00 71.12 C ATOM 0 H LEU A 19 3.017 -5.867 -13.964 1.00 71.04 H new ATOM 0 HA LEU A 19 4.071 -3.682 -15.363 1.00 63.03 H new ATOM 0 HB2 LEU A 19 4.468 -6.668 -15.381 1.00 12.13 H new ATOM 0 HB3 LEU A 19 5.259 -5.693 -16.604 1.00 12.13 H new ATOM 0 HG LEU A 19 6.396 -6.337 -14.265 1.00 62.01 H new ATOM 0 HD11 LEU A 19 7.930 -4.441 -14.621 1.00 35.11 H new ATOM 0 HD12 LEU A 19 7.500 -5.239 -16.153 1.00 35.11 H new ATOM 0 HD13 LEU A 19 6.742 -3.690 -15.713 1.00 35.11 H new ATOM 0 HD21 LEU A 19 6.332 -4.400 -12.743 1.00 71.12 H new ATOM 0 HD22 LEU A 19 5.081 -3.647 -13.760 1.00 71.12 H new ATOM 0 HD23 LEU A 19 4.734 -5.168 -12.902 1.00 71.12 H new ATOM 285 N VAL A 20 2.119 -5.661 -17.131 1.00 51.42 N ATOM 286 CA VAL A 20 1.375 -5.763 -18.381 1.00 13.12 C ATOM 287 C VAL A 20 0.552 -4.505 -18.635 1.00 34.03 C ATOM 288 O VAL A 20 0.463 -4.027 -19.765 1.00 51.44 O ATOM 289 CB VAL A 20 0.437 -6.985 -18.377 1.00 51.22 C ATOM 290 CG1 VAL A 20 -0.657 -6.822 -19.422 1.00 4.11 C ATOM 291 CG2 VAL A 20 1.227 -8.263 -18.615 1.00 51.20 C ATOM 0 H VAL A 20 1.920 -6.403 -16.460 1.00 51.42 H new ATOM 0 HA VAL A 20 2.109 -5.880 -19.178 1.00 13.12 H new ATOM 0 HB VAL A 20 -0.037 -7.055 -17.398 1.00 51.22 H new ATOM 0 HG11 VAL A 20 -1.310 -7.695 -19.405 1.00 4.11 H new ATOM 0 HG12 VAL A 20 -1.240 -5.928 -19.202 1.00 4.11 H new ATOM 0 HG13 VAL A 20 -0.206 -6.726 -20.409 1.00 4.11 H new ATOM 0 HG21 VAL A 20 0.549 -9.116 -18.609 1.00 51.20 H new ATOM 0 HG22 VAL A 20 1.730 -8.206 -19.581 1.00 51.20 H new ATOM 0 HG23 VAL A 20 1.969 -8.384 -17.826 1.00 51.20 H new ATOM 301 N SER A 21 -0.049 -3.973 -17.575 1.00 20.42 N ATOM 302 CA SER A 21 -0.868 -2.772 -17.683 1.00 73.00 C ATOM 303 C SER A 21 -0.020 -1.570 -18.087 1.00 63.32 C ATOM 304 O SER A 21 -0.433 -0.755 -18.911 1.00 62.14 O ATOM 305 CB SER A 21 -1.574 -2.489 -16.355 1.00 61.04 C ATOM 306 OG SER A 21 -2.252 -1.245 -16.393 1.00 61.22 O ATOM 0 H SER A 21 0.016 -4.355 -16.632 1.00 20.42 H new ATOM 0 HA SER A 21 -1.617 -2.942 -18.456 1.00 73.00 H new ATOM 0 HB2 SER A 21 -2.284 -3.287 -16.140 1.00 61.04 H new ATOM 0 HB3 SER A 21 -0.844 -2.485 -15.545 1.00 61.04 H new ATOM 0 HG SER A 21 -2.696 -1.088 -15.534 1.00 61.22 H new ATOM 312 N GLN A 22 1.168 -1.469 -17.500 1.00 45.32 N ATOM 313 CA GLN A 22 2.075 -0.367 -17.798 1.00 44.53 C ATOM 314 C GLN A 22 2.429 -0.338 -19.282 1.00 32.34 C ATOM 315 O GLN A 22 2.324 0.700 -19.935 1.00 11.43 O ATOM 316 CB GLN A 22 3.350 -0.486 -16.960 1.00 54.05 C ATOM 317 CG GLN A 22 3.092 -0.522 -15.463 1.00 11.23 C ATOM 318 CD GLN A 22 1.990 0.429 -15.037 1.00 64.12 C ATOM 319 OE1 GLN A 22 0.845 0.022 -14.839 1.00 24.12 O ATOM 320 NE2 GLN A 22 2.331 1.704 -14.894 1.00 44.33 N ATOM 0 H GLN A 22 1.525 -2.136 -16.816 1.00 45.32 H new ATOM 0 HA GLN A 22 1.568 0.565 -17.546 1.00 44.53 H new ATOM 0 HB2 GLN A 22 3.883 -1.392 -17.250 1.00 54.05 H new ATOM 0 HB3 GLN A 22 4.004 0.356 -17.187 1.00 54.05 H new ATOM 0 HG2 GLN A 22 2.825 -1.537 -15.169 1.00 11.23 H new ATOM 0 HG3 GLN A 22 4.010 -0.268 -14.934 1.00 11.23 H new ATOM 0 HE21 GLN A 22 3.292 1.998 -15.069 1.00 44.33 H new ATOM 0 HE22 GLN A 22 1.632 2.390 -14.609 1.00 44.33 H new ATOM 329 N ILE A 23 2.848 -1.485 -19.807 1.00 11.42 N ATOM 330 CA ILE A 23 3.216 -1.591 -21.213 1.00 50.42 C ATOM 331 C ILE A 23 2.031 -1.270 -22.117 1.00 53.33 C ATOM 332 O ILE A 23 2.195 -0.686 -23.188 1.00 11.32 O ATOM 333 CB ILE A 23 3.740 -2.998 -21.553 1.00 65.13 C ATOM 334 CG1 ILE A 23 5.038 -3.280 -20.793 1.00 33.33 C ATOM 335 CG2 ILE A 23 3.959 -3.134 -23.053 1.00 0.22 C ATOM 336 CD1 ILE A 23 5.014 -4.580 -20.020 1.00 23.34 C ATOM 0 H ILE A 23 2.941 -2.353 -19.280 1.00 11.42 H new ATOM 0 HA ILE A 23 4.010 -0.865 -21.387 1.00 50.42 H new ATOM 0 HB ILE A 23 2.994 -3.731 -21.246 1.00 65.13 H new ATOM 0 HG12 ILE A 23 5.867 -3.303 -21.501 1.00 33.33 H new ATOM 0 HG13 ILE A 23 5.231 -2.459 -20.102 1.00 33.33 H new ATOM 0 HG21 ILE A 23 4.330 -4.134 -23.277 1.00 0.22 H new ATOM 0 HG22 ILE A 23 3.016 -2.971 -23.575 1.00 0.22 H new ATOM 0 HG23 ILE A 23 4.689 -2.394 -23.383 1.00 0.22 H new ATOM 0 HD11 ILE A 23 5.966 -4.715 -19.506 1.00 23.34 H new ATOM 0 HD12 ILE A 23 4.207 -4.553 -19.288 1.00 23.34 H new ATOM 0 HD13 ILE A 23 4.852 -5.410 -20.708 1.00 23.34 H new ATOM 348 N GLU A 24 0.837 -1.654 -21.677 1.00 74.44 N ATOM 349 CA GLU A 24 -0.377 -1.406 -22.447 1.00 64.33 C ATOM 350 C GLU A 24 -0.753 0.072 -22.408 1.00 33.11 C ATOM 351 O GLU A 24 -1.284 0.614 -23.377 1.00 54.22 O ATOM 352 CB GLU A 24 -1.532 -2.253 -21.908 1.00 4.31 C ATOM 353 CG GLU A 24 -2.358 -2.919 -22.995 1.00 41.44 C ATOM 354 CD GLU A 24 -3.780 -2.395 -23.050 1.00 71.42 C ATOM 355 OE1 GLU A 24 -4.463 -2.424 -22.005 1.00 21.32 O ATOM 356 OE2 GLU A 24 -4.210 -1.958 -24.138 1.00 13.45 O ATOM 0 H GLU A 24 0.684 -2.138 -20.792 1.00 74.44 H new ATOM 0 HA GLU A 24 -0.184 -1.687 -23.482 1.00 64.33 H new ATOM 0 HB2 GLU A 24 -1.130 -3.021 -21.247 1.00 4.31 H new ATOM 0 HB3 GLU A 24 -2.183 -1.621 -21.304 1.00 4.31 H new ATOM 0 HG2 GLU A 24 -1.878 -2.759 -23.960 1.00 41.44 H new ATOM 0 HG3 GLU A 24 -2.378 -3.995 -22.823 1.00 41.44 H new ATOM 363 N ASP A 25 -0.475 0.717 -21.281 1.00 0.33 N ATOM 364 CA ASP A 25 -0.784 2.133 -21.114 1.00 25.32 C ATOM 365 C ASP A 25 0.154 2.996 -21.952 1.00 62.12 C ATOM 366 O ASP A 25 -0.287 3.898 -22.664 1.00 63.52 O ATOM 367 CB ASP A 25 -0.680 2.529 -19.640 1.00 74.21 C ATOM 368 CG ASP A 25 -1.407 3.824 -19.337 1.00 1.44 C ATOM 369 OD1 ASP A 25 -2.533 4.007 -19.845 1.00 60.23 O ATOM 370 OD2 ASP A 25 -0.850 4.655 -18.590 1.00 2.54 O ATOM 0 H ASP A 25 -0.036 0.282 -20.469 1.00 0.33 H new ATOM 0 HA ASP A 25 -1.805 2.300 -21.456 1.00 25.32 H new ATOM 0 HB2 ASP A 25 -1.092 1.731 -19.022 1.00 74.21 H new ATOM 0 HB3 ASP A 25 0.370 2.633 -19.368 1.00 74.21 H new ATOM 375 N ALA A 26 1.450 2.714 -21.861 1.00 74.43 N ATOM 376 CA ALA A 26 2.449 3.463 -22.612 1.00 3.21 C ATOM 377 C ALA A 26 2.205 3.353 -24.113 1.00 65.31 C ATOM 378 O ALA A 26 2.280 4.344 -24.838 1.00 13.41 O ATOM 379 CB ALA A 26 3.847 2.973 -22.265 1.00 22.22 C ATOM 0 H ALA A 26 1.832 1.972 -21.274 1.00 74.43 H new ATOM 0 HA ALA A 26 2.364 4.513 -22.333 1.00 3.21 H new ATOM 0 HB1 ALA A 26 4.583 3.541 -22.833 1.00 22.22 H new ATOM 0 HB2 ALA A 26 4.027 3.111 -21.199 1.00 22.22 H new ATOM 0 HB3 ALA A 26 3.934 1.915 -22.514 1.00 22.22 H new ATOM 385 N MET A 27 1.915 2.140 -24.573 1.00 40.10 N ATOM 386 CA MET A 27 1.660 1.901 -25.989 1.00 11.12 C ATOM 387 C MET A 27 0.447 2.694 -26.464 1.00 51.51 C ATOM 388 O MET A 27 0.487 3.339 -27.512 1.00 2.50 O ATOM 389 CB MET A 27 1.440 0.409 -26.245 1.00 21.14 C ATOM 390 CG MET A 27 2.400 -0.181 -27.265 1.00 52.44 C ATOM 391 SD MET A 27 1.631 -1.450 -28.290 1.00 13.51 S ATOM 392 CE MET A 27 1.320 -2.726 -27.072 1.00 44.21 C ATOM 0 H MET A 27 1.851 1.308 -23.986 1.00 40.10 H new ATOM 0 HA MET A 27 2.533 2.234 -26.551 1.00 11.12 H new ATOM 0 HB2 MET A 27 1.545 -0.132 -25.304 1.00 21.14 H new ATOM 0 HB3 MET A 27 0.417 0.255 -26.589 1.00 21.14 H new ATOM 0 HG2 MET A 27 2.780 0.616 -27.904 1.00 52.44 H new ATOM 0 HG3 MET A 27 3.258 -0.609 -26.746 1.00 52.44 H new ATOM 0 HE1 MET A 27 0.878 -3.595 -27.560 1.00 44.21 H new ATOM 0 HE2 MET A 27 2.259 -3.014 -26.599 1.00 44.21 H new ATOM 0 HE3 MET A 27 0.634 -2.347 -26.315 1.00 44.21 H new ATOM 402 N ARG A 28 -0.630 2.642 -25.688 1.00 33.15 N ATOM 403 CA ARG A 28 -1.855 3.355 -26.031 1.00 31.44 C ATOM 404 C ARG A 28 -1.565 4.824 -26.323 1.00 73.11 C ATOM 405 O ARG A 28 -1.890 5.330 -27.397 1.00 43.35 O ATOM 406 CB ARG A 28 -2.872 3.241 -24.894 1.00 32.24 C ATOM 407 CG ARG A 28 -4.066 4.168 -25.049 1.00 52.34 C ATOM 408 CD ARG A 28 -5.376 3.437 -24.800 1.00 1.11 C ATOM 409 NE ARG A 28 -6.512 4.353 -24.744 1.00 31.11 N ATOM 410 CZ ARG A 28 -7.775 3.952 -24.648 1.00 1.34 C ATOM 411 NH1 ARG A 28 -8.061 2.659 -24.596 1.00 75.23 N ATOM 412 NH2 ARG A 28 -8.754 4.847 -24.602 1.00 33.52 N ATOM 0 H ARG A 28 -0.680 2.113 -24.817 1.00 33.15 H new ATOM 0 HA ARG A 28 -2.272 2.899 -26.929 1.00 31.44 H new ATOM 0 HB2 ARG A 28 -3.227 2.212 -24.837 1.00 32.24 H new ATOM 0 HB3 ARG A 28 -2.374 3.459 -23.949 1.00 32.24 H new ATOM 0 HG2 ARG A 28 -3.974 5.000 -24.351 1.00 52.34 H new ATOM 0 HG3 ARG A 28 -4.070 4.593 -26.053 1.00 52.34 H new ATOM 0 HD2 ARG A 28 -5.539 2.705 -25.591 1.00 1.11 H new ATOM 0 HD3 ARG A 28 -5.310 2.884 -23.863 1.00 1.11 H new ATOM 0 HE ARG A 28 -6.326 5.355 -24.781 1.00 31.11 H new ATOM 0 HH11 ARG A 28 -7.311 1.969 -24.630 1.00 75.23 H new ATOM 0 HH12 ARG A 28 -9.032 2.354 -24.522 1.00 75.23 H new ATOM 0 HH21 ARG A 28 -8.537 5.843 -24.640 1.00 33.52 H new ATOM 0 HH22 ARG A 28 -9.724 4.539 -24.528 1.00 33.52 H new ATOM 426 N LYS A 29 -0.953 5.504 -25.360 1.00 31.03 N ATOM 427 CA LYS A 29 -0.618 6.915 -25.512 1.00 74.14 C ATOM 428 C LYS A 29 0.503 7.101 -26.530 1.00 20.14 C ATOM 429 O LYS A 29 0.647 8.171 -27.120 1.00 10.13 O ATOM 430 CB LYS A 29 -0.203 7.510 -24.165 1.00 54.52 C ATOM 431 CG LYS A 29 -1.324 8.252 -23.457 1.00 42.20 C ATOM 432 CD LYS A 29 -0.831 8.927 -22.188 1.00 21.11 C ATOM 433 CE LYS A 29 -1.802 8.723 -21.035 1.00 41.01 C ATOM 434 NZ LYS A 29 -2.988 9.617 -21.144 1.00 4.53 N ATOM 0 H LYS A 29 -0.678 5.100 -24.464 1.00 31.03 H new ATOM 0 HA LYS A 29 -1.504 7.436 -25.874 1.00 74.14 H new ATOM 0 HB2 LYS A 29 0.156 6.709 -23.519 1.00 54.52 H new ATOM 0 HB3 LYS A 29 0.632 8.193 -24.321 1.00 54.52 H new ATOM 0 HG2 LYS A 29 -1.747 9.000 -24.128 1.00 42.20 H new ATOM 0 HG3 LYS A 29 -2.125 7.555 -23.212 1.00 42.20 H new ATOM 0 HD2 LYS A 29 0.146 8.526 -21.918 1.00 21.11 H new ATOM 0 HD3 LYS A 29 -0.699 9.994 -22.370 1.00 21.11 H new ATOM 0 HE2 LYS A 29 -2.131 7.684 -21.017 1.00 41.01 H new ATOM 0 HE3 LYS A 29 -1.290 8.912 -20.091 1.00 41.01 H new ATOM 0 HZ1 LYS A 29 -3.625 9.448 -20.340 1.00 4.53 H new ATOM 0 HZ2 LYS A 29 -2.677 10.609 -21.136 1.00 4.53 H new ATOM 0 HZ3 LYS A 29 -3.491 9.419 -22.032 1.00 4.53 H new ATOM 448 N ALA A 30 1.294 6.052 -26.730 1.00 72.23 N ATOM 449 CA ALA A 30 2.400 6.099 -27.679 1.00 14.13 C ATOM 450 C ALA A 30 1.890 6.139 -29.115 1.00 75.42 C ATOM 451 O ALA A 30 2.574 6.625 -30.014 1.00 41.12 O ATOM 452 CB ALA A 30 3.320 4.905 -27.476 1.00 62.30 C ATOM 0 H ALA A 30 1.190 5.159 -26.248 1.00 72.23 H new ATOM 0 HA ALA A 30 2.964 7.014 -27.497 1.00 14.13 H new ATOM 0 HB1 ALA A 30 4.141 4.953 -28.191 1.00 62.30 H new ATOM 0 HB2 ALA A 30 3.720 4.922 -26.462 1.00 62.30 H new ATOM 0 HB3 ALA A 30 2.759 3.983 -27.629 1.00 62.30 H new ATOM 458 N GLY A 31 0.682 5.622 -29.324 1.00 42.12 N ATOM 459 CA GLY A 31 0.102 5.608 -30.654 1.00 74.32 C ATOM 460 C GLY A 31 0.891 4.748 -31.622 1.00 12.50 C ATOM 461 O GLY A 31 1.624 5.264 -32.465 1.00 44.25 O ATOM 0 H GLY A 31 0.096 5.213 -28.596 1.00 42.12 H new ATOM 0 HA2 GLY A 31 -0.922 5.239 -30.597 1.00 74.32 H new ATOM 0 HA3 GLY A 31 0.052 6.628 -31.036 1.00 74.32 H new ATOM 563 N LYS A 39 -0.561 -7.860 -24.346 1.00 75.32 N ATOM 564 CA LYS A 39 -0.560 -9.143 -23.652 1.00 51.42 C ATOM 565 C LYS A 39 0.445 -10.102 -24.283 1.00 14.41 C ATOM 566 O LYS A 39 1.164 -10.812 -23.581 1.00 5.45 O ATOM 567 CB LYS A 39 -1.959 -9.762 -23.680 1.00 31.33 C ATOM 568 CG LYS A 39 -2.539 -10.017 -22.299 1.00 64.40 C ATOM 569 CD LYS A 39 -4.056 -9.931 -22.306 1.00 63.14 C ATOM 570 CE LYS A 39 -4.584 -9.299 -21.028 1.00 11.21 C ATOM 571 NZ LYS A 39 -4.483 -10.226 -19.867 1.00 64.33 N ATOM 0 HA LYS A 39 -0.268 -8.968 -22.617 1.00 51.42 H new ATOM 0 HB2 LYS A 39 -2.629 -9.101 -24.230 1.00 31.33 H new ATOM 0 HB3 LYS A 39 -1.920 -10.703 -24.228 1.00 31.33 H new ATOM 0 HG2 LYS A 39 -2.231 -11.003 -21.951 1.00 64.40 H new ATOM 0 HG3 LYS A 39 -2.136 -9.290 -21.594 1.00 64.40 H new ATOM 0 HD2 LYS A 39 -4.384 -9.346 -23.165 1.00 63.14 H new ATOM 0 HD3 LYS A 39 -4.478 -10.930 -22.420 1.00 63.14 H new ATOM 0 HE2 LYS A 39 -4.024 -8.388 -20.815 1.00 11.21 H new ATOM 0 HE3 LYS A 39 -5.625 -9.007 -21.170 1.00 11.21 H new ATOM 0 HZ1 LYS A 39 -4.853 -9.758 -19.015 1.00 64.33 H new ATOM 0 HZ2 LYS A 39 -5.038 -11.084 -20.059 1.00 64.33 H new ATOM 0 HZ3 LYS A 39 -3.487 -10.484 -19.715 1.00 64.33 H new ATOM 585 N ASP A 40 0.489 -10.116 -25.610 1.00 54.15 N ATOM 586 CA ASP A 40 1.407 -10.986 -26.336 1.00 2.13 C ATOM 587 C ASP A 40 2.841 -10.478 -26.221 1.00 62.11 C ATOM 588 O ASP A 40 3.784 -11.265 -26.140 1.00 72.01 O ATOM 589 CB ASP A 40 1.002 -11.078 -27.807 1.00 54.15 C ATOM 590 CG ASP A 40 0.335 -12.398 -28.143 1.00 10.50 C ATOM 591 OD1 ASP A 40 1.054 -13.411 -28.269 1.00 43.23 O ATOM 592 OD2 ASP A 40 -0.906 -12.417 -28.278 1.00 71.24 O ATOM 0 H ASP A 40 -0.101 -9.535 -26.206 1.00 54.15 H new ATOM 0 HA ASP A 40 1.355 -11.980 -25.891 1.00 2.13 H new ATOM 0 HB2 ASP A 40 0.322 -10.260 -28.045 1.00 54.15 H new ATOM 0 HB3 ASP A 40 1.886 -10.951 -28.433 1.00 54.15 H new ATOM 597 N MET A 41 2.998 -9.158 -26.216 1.00 75.42 N ATOM 598 CA MET A 41 4.317 -8.546 -26.112 1.00 11.14 C ATOM 599 C MET A 41 4.948 -8.843 -24.755 1.00 62.32 C ATOM 600 O MET A 41 6.119 -9.212 -24.674 1.00 23.12 O ATOM 601 CB MET A 41 4.219 -7.034 -26.321 1.00 13.40 C ATOM 602 CG MET A 41 4.571 -6.591 -27.732 1.00 73.40 C ATOM 603 SD MET A 41 3.139 -5.994 -28.650 1.00 74.24 S ATOM 604 CE MET A 41 3.674 -4.338 -29.074 1.00 22.24 C ATOM 0 H MET A 41 2.228 -8.492 -26.283 1.00 75.42 H new ATOM 0 HA MET A 41 4.951 -8.973 -26.890 1.00 11.14 H new ATOM 0 HB2 MET A 41 3.205 -6.709 -26.089 1.00 13.40 H new ATOM 0 HB3 MET A 41 4.883 -6.534 -25.616 1.00 13.40 H new ATOM 0 HG2 MET A 41 5.322 -5.802 -27.684 1.00 73.40 H new ATOM 0 HG3 MET A 41 5.020 -7.426 -28.270 1.00 73.40 H new ATOM 0 HE1 MET A 41 2.892 -3.838 -29.646 1.00 22.24 H new ATOM 0 HE2 MET A 41 3.872 -3.775 -28.162 1.00 22.24 H new ATOM 0 HE3 MET A 41 4.583 -4.391 -29.672 1.00 22.24 H new ATOM 614 N GLU A 42 4.165 -8.680 -23.694 1.00 15.11 N ATOM 615 CA GLU A 42 4.649 -8.930 -22.342 1.00 21.25 C ATOM 616 C GLU A 42 4.981 -10.407 -22.147 1.00 43.22 C ATOM 617 O GLU A 42 6.003 -10.751 -21.553 1.00 70.32 O ATOM 618 CB GLU A 42 3.605 -8.491 -21.312 1.00 63.25 C ATOM 619 CG GLU A 42 3.390 -6.988 -21.267 1.00 4.23 C ATOM 620 CD GLU A 42 2.018 -6.579 -21.765 1.00 34.34 C ATOM 621 OE1 GLU A 42 1.077 -7.391 -21.641 1.00 73.33 O ATOM 622 OE2 GLU A 42 1.884 -5.449 -22.277 1.00 50.35 O ATOM 0 H GLU A 42 3.193 -8.376 -23.745 1.00 15.11 H new ATOM 0 HA GLU A 42 5.559 -8.348 -22.197 1.00 21.25 H new ATOM 0 HB2 GLU A 42 2.657 -8.979 -21.538 1.00 63.25 H new ATOM 0 HB3 GLU A 42 3.914 -8.835 -20.325 1.00 63.25 H new ATOM 0 HG2 GLU A 42 3.520 -6.637 -20.243 1.00 4.23 H new ATOM 0 HG3 GLU A 42 4.153 -6.498 -21.872 1.00 4.23 H new ATOM 629 N SER A 43 4.110 -11.275 -22.652 1.00 2.30 N ATOM 630 CA SER A 43 4.308 -12.714 -22.531 1.00 32.34 C ATOM 631 C SER A 43 5.647 -13.131 -23.131 1.00 71.41 C ATOM 632 O SER A 43 6.373 -13.942 -22.555 1.00 4.21 O ATOM 633 CB SER A 43 3.169 -13.467 -23.222 1.00 44.22 C ATOM 634 OG SER A 43 3.266 -13.354 -24.632 1.00 32.24 O ATOM 0 H SER A 43 3.261 -11.006 -23.149 1.00 2.30 H new ATOM 0 HA SER A 43 4.311 -12.967 -21.471 1.00 32.34 H new ATOM 0 HB2 SER A 43 3.197 -14.518 -22.935 1.00 44.22 H new ATOM 0 HB3 SER A 43 2.211 -13.071 -22.887 1.00 44.22 H new ATOM 0 HG SER A 43 3.457 -12.423 -24.873 1.00 32.24 H new ATOM 640 N HIS A 44 5.967 -12.572 -24.293 1.00 41.44 N ATOM 641 CA HIS A 44 7.219 -12.884 -24.973 1.00 62.13 C ATOM 642 C HIS A 44 8.416 -12.433 -24.142 1.00 2.31 C ATOM 643 O HIS A 44 9.380 -13.178 -23.967 1.00 30.34 O ATOM 644 CB HIS A 44 7.258 -12.217 -26.348 1.00 53.34 C ATOM 645 CG HIS A 44 8.476 -12.562 -27.148 1.00 3.02 C ATOM 646 ND1 HIS A 44 9.235 -11.619 -27.808 1.00 43.01 N ATOM 647 CD2 HIS A 44 9.068 -13.755 -27.390 1.00 34.33 C ATOM 648 CE1 HIS A 44 10.240 -12.217 -28.423 1.00 72.40 C ATOM 649 NE2 HIS A 44 10.161 -13.514 -28.185 1.00 21.24 N ATOM 0 H HIS A 44 5.377 -11.900 -24.784 1.00 41.44 H new ATOM 0 HA HIS A 44 7.274 -13.965 -25.101 1.00 62.13 H new ATOM 0 HB2 HIS A 44 6.370 -12.509 -26.909 1.00 53.34 H new ATOM 0 HB3 HIS A 44 7.213 -11.136 -26.219 1.00 53.34 H new ATOM 0 HD2 HIS A 44 8.741 -14.718 -27.025 1.00 34.33 H new ATOM 0 HE1 HIS A 44 10.997 -11.729 -29.019 1.00 72.40 H new ATOM 0 HE2 HIS A 44 10.807 -14.221 -28.535 1.00 21.24 H new ATOM 657 N VAL A 45 8.348 -11.207 -23.633 1.00 4.34 N ATOM 658 CA VAL A 45 9.426 -10.656 -22.820 1.00 0.15 C ATOM 659 C VAL A 45 9.745 -11.567 -21.640 1.00 23.32 C ATOM 660 O VAL A 45 10.911 -11.818 -21.333 1.00 70.41 O ATOM 661 CB VAL A 45 9.069 -9.254 -22.290 1.00 23.55 C ATOM 662 CG1 VAL A 45 10.263 -8.631 -21.581 1.00 74.52 C ATOM 663 CG2 VAL A 45 8.587 -8.363 -23.424 1.00 62.10 C ATOM 0 H VAL A 45 7.558 -10.576 -23.769 1.00 4.34 H new ATOM 0 HA VAL A 45 10.302 -10.581 -23.465 1.00 0.15 H new ATOM 0 HB VAL A 45 8.259 -9.353 -21.567 1.00 23.55 H new ATOM 0 HG11 VAL A 45 9.992 -7.641 -21.213 1.00 74.52 H new ATOM 0 HG12 VAL A 45 10.558 -9.262 -20.742 1.00 74.52 H new ATOM 0 HG13 VAL A 45 11.096 -8.543 -22.279 1.00 74.52 H new ATOM 0 HG21 VAL A 45 8.339 -7.377 -23.032 1.00 62.10 H new ATOM 0 HG22 VAL A 45 9.374 -8.269 -24.172 1.00 62.10 H new ATOM 0 HG23 VAL A 45 7.702 -8.804 -23.882 1.00 62.10 H new ATOM 673 N PHE A 46 8.702 -12.061 -20.981 1.00 50.22 N ATOM 674 CA PHE A 46 8.871 -12.945 -19.834 1.00 13.12 C ATOM 675 C PHE A 46 9.617 -14.215 -20.231 1.00 75.42 C ATOM 676 O PHE A 46 10.705 -14.493 -19.727 1.00 24.41 O ATOM 677 CB PHE A 46 7.509 -13.305 -19.236 1.00 60.21 C ATOM 678 CG PHE A 46 7.584 -13.763 -17.808 1.00 33.53 C ATOM 679 CD1 PHE A 46 8.055 -15.029 -17.496 1.00 13.42 C ATOM 680 CD2 PHE A 46 7.182 -12.929 -16.777 1.00 23.12 C ATOM 681 CE1 PHE A 46 8.125 -15.453 -16.182 1.00 61.33 C ATOM 682 CE2 PHE A 46 7.251 -13.348 -15.462 1.00 32.24 C ATOM 683 CZ PHE A 46 7.722 -14.612 -15.164 1.00 75.20 C ATOM 0 H PHE A 46 7.731 -11.864 -21.222 1.00 50.22 H new ATOM 0 HA PHE A 46 9.461 -12.418 -19.084 1.00 13.12 H new ATOM 0 HB2 PHE A 46 6.853 -12.436 -19.297 1.00 60.21 H new ATOM 0 HB3 PHE A 46 7.053 -14.091 -19.838 1.00 60.21 H new ATOM 0 HD1 PHE A 46 8.371 -15.691 -18.288 1.00 13.42 H new ATOM 0 HD2 PHE A 46 6.811 -11.941 -17.004 1.00 23.12 H new ATOM 0 HE1 PHE A 46 8.495 -16.441 -15.952 1.00 61.33 H new ATOM 0 HE2 PHE A 46 6.937 -12.687 -14.667 1.00 32.24 H new ATOM 0 HZ PHE A 46 7.775 -14.942 -14.137 1.00 75.20 H new ATOM 693 N LEU A 47 9.023 -14.984 -21.138 1.00 13.51 N ATOM 694 CA LEU A 47 9.629 -16.226 -21.604 1.00 4.31 C ATOM 695 C LEU A 47 11.016 -15.970 -22.186 1.00 52.32 C ATOM 696 O LEU A 47 11.859 -16.866 -22.229 1.00 33.12 O ATOM 697 CB LEU A 47 8.737 -16.889 -22.654 1.00 62.42 C ATOM 698 CG LEU A 47 7.536 -17.669 -22.119 1.00 14.24 C ATOM 699 CD1 LEU A 47 6.369 -17.585 -23.091 1.00 30.44 C ATOM 700 CD2 LEU A 47 7.914 -19.120 -21.859 1.00 54.24 C ATOM 0 H LEU A 47 8.122 -14.769 -21.565 1.00 13.51 H new ATOM 0 HA LEU A 47 9.732 -16.895 -20.749 1.00 4.31 H new ATOM 0 HB2 LEU A 47 8.371 -16.117 -23.331 1.00 62.42 H new ATOM 0 HB3 LEU A 47 9.351 -17.567 -23.247 1.00 62.42 H new ATOM 0 HG LEU A 47 7.228 -17.221 -21.174 1.00 14.24 H new ATOM 0 HD11 LEU A 47 5.523 -18.146 -22.693 1.00 30.44 H new ATOM 0 HD12 LEU A 47 6.082 -16.542 -23.225 1.00 30.44 H new ATOM 0 HD13 LEU A 47 6.665 -18.007 -24.052 1.00 30.44 H new ATOM 0 HD21 LEU A 47 7.047 -19.659 -21.479 1.00 54.24 H new ATOM 0 HD22 LEU A 47 8.249 -19.581 -22.788 1.00 54.24 H new ATOM 0 HD23 LEU A 47 8.718 -19.160 -21.124 1.00 54.24 H new ATOM 712 N LYS A 48 11.246 -14.740 -22.632 1.00 45.52 N ATOM 713 CA LYS A 48 12.531 -14.363 -23.209 1.00 5.30 C ATOM 714 C LYS A 48 13.522 -13.966 -22.119 1.00 31.32 C ATOM 715 O LYS A 48 14.735 -14.029 -22.317 1.00 11.52 O ATOM 716 CB LYS A 48 12.352 -13.206 -24.195 1.00 12.13 C ATOM 717 CG LYS A 48 13.641 -12.782 -24.876 1.00 42.33 C ATOM 718 CD LYS A 48 13.374 -12.155 -26.234 1.00 52.33 C ATOM 719 CE LYS A 48 14.592 -11.405 -26.752 1.00 11.04 C ATOM 720 NZ LYS A 48 14.647 -11.395 -28.240 1.00 33.33 N ATOM 0 H LYS A 48 10.559 -13.987 -22.605 1.00 45.52 H new ATOM 0 HA LYS A 48 12.929 -15.227 -23.741 1.00 5.30 H new ATOM 0 HB2 LYS A 48 11.628 -13.497 -24.956 1.00 12.13 H new ATOM 0 HB3 LYS A 48 11.932 -12.351 -23.666 1.00 12.13 H new ATOM 0 HG2 LYS A 48 14.171 -12.070 -24.243 1.00 42.33 H new ATOM 0 HG3 LYS A 48 14.292 -13.648 -24.996 1.00 42.33 H new ATOM 0 HD2 LYS A 48 13.094 -12.932 -26.946 1.00 52.33 H new ATOM 0 HD3 LYS A 48 12.529 -11.471 -26.160 1.00 52.33 H new ATOM 0 HE2 LYS A 48 14.571 -10.380 -26.383 1.00 11.04 H new ATOM 0 HE3 LYS A 48 15.497 -11.867 -26.358 1.00 11.04 H new ATOM 0 HZ1 LYS A 48 15.491 -10.874 -28.553 1.00 33.33 H new ATOM 0 HZ2 LYS A 48 14.693 -12.372 -28.592 1.00 33.33 H new ATOM 0 HZ3 LYS A 48 13.795 -10.931 -28.616 1.00 33.33 H new ATOM 734 N ALA A 49 12.997 -13.560 -20.968 1.00 34.35 N ATOM 735 CA ALA A 49 13.835 -13.158 -19.845 1.00 51.42 C ATOM 736 C ALA A 49 14.291 -14.368 -19.038 1.00 71.53 C ATOM 737 O ALA A 49 13.652 -15.421 -19.064 1.00 4.15 O ATOM 738 CB ALA A 49 13.087 -12.178 -18.953 1.00 44.51 C ATOM 0 H ALA A 49 11.995 -13.501 -20.789 1.00 34.35 H new ATOM 0 HA ALA A 49 14.722 -12.666 -20.244 1.00 51.42 H new ATOM 0 HB1 ALA A 49 13.724 -11.886 -18.118 1.00 44.51 H new ATOM 0 HB2 ALA A 49 12.817 -11.294 -19.530 1.00 44.51 H new ATOM 0 HB3 ALA A 49 12.183 -12.651 -18.571 1.00 44.51 H new ATOM 744 N LYS A 50 15.400 -14.213 -18.323 1.00 71.40 N ATOM 745 CA LYS A 50 15.942 -15.294 -17.507 1.00 42.45 C ATOM 746 C LYS A 50 15.684 -15.039 -16.026 1.00 3.11 C ATOM 747 O LYS A 50 15.631 -15.972 -15.224 1.00 60.43 O ATOM 748 CB LYS A 50 17.445 -15.443 -17.756 1.00 52.01 C ATOM 749 CG LYS A 50 17.797 -16.600 -18.676 1.00 2.55 C ATOM 750 CD LYS A 50 18.682 -16.148 -19.825 1.00 63.32 C ATOM 751 CE LYS A 50 20.131 -15.999 -19.388 1.00 24.23 C ATOM 752 NZ LYS A 50 20.700 -14.683 -19.791 1.00 20.31 N ATOM 0 H LYS A 50 15.941 -13.349 -18.292 1.00 71.40 H new ATOM 0 HA LYS A 50 15.439 -16.218 -17.791 1.00 42.45 H new ATOM 0 HB2 LYS A 50 17.827 -14.518 -18.187 1.00 52.01 H new ATOM 0 HB3 LYS A 50 17.951 -15.582 -16.801 1.00 52.01 H new ATOM 0 HG2 LYS A 50 18.307 -17.377 -18.106 1.00 2.55 H new ATOM 0 HG3 LYS A 50 16.883 -17.043 -19.072 1.00 2.55 H new ATOM 0 HD2 LYS A 50 18.619 -16.870 -20.640 1.00 63.32 H new ATOM 0 HD3 LYS A 50 18.318 -15.197 -20.213 1.00 63.32 H new ATOM 0 HE2 LYS A 50 20.197 -16.107 -18.305 1.00 24.23 H new ATOM 0 HE3 LYS A 50 20.726 -16.801 -19.825 1.00 24.23 H new ATOM 0 HZ1 LYS A 50 21.555 -14.489 -19.232 1.00 20.31 H new ATOM 0 HZ2 LYS A 50 20.944 -14.705 -20.802 1.00 20.31 H new ATOM 0 HZ3 LYS A 50 19.998 -13.935 -19.621 1.00 20.31 H new ATOM 766 N THR A 51 15.523 -13.769 -15.667 1.00 40.25 N ATOM 767 CA THR A 51 15.270 -13.392 -14.283 1.00 2.43 C ATOM 768 C THR A 51 14.427 -12.124 -14.203 1.00 73.32 C ATOM 769 O THR A 51 14.170 -11.474 -15.216 1.00 43.43 O ATOM 770 CB THR A 51 16.585 -13.168 -13.512 1.00 62.51 C ATOM 771 OG1 THR A 51 17.297 -12.058 -14.069 1.00 61.03 O ATOM 772 CG2 THR A 51 17.458 -14.413 -13.560 1.00 65.14 C ATOM 0 H THR A 51 15.564 -12.984 -16.317 1.00 40.25 H new ATOM 0 HA THR A 51 14.725 -14.218 -13.826 1.00 2.43 H new ATOM 0 HB THR A 51 16.339 -12.955 -12.472 1.00 62.51 H new ATOM 0 HG1 THR A 51 18.131 -11.921 -13.572 1.00 61.03 H new ATOM 0 HG21 THR A 51 18.381 -14.232 -13.009 1.00 65.14 H new ATOM 0 HG22 THR A 51 16.924 -15.249 -13.108 1.00 65.14 H new ATOM 0 HG23 THR A 51 17.695 -14.651 -14.597 1.00 65.14 H new ATOM 780 N ARG A 52 13.998 -11.779 -12.993 1.00 64.05 N ATOM 781 CA ARG A 52 13.183 -10.589 -12.783 1.00 31.05 C ATOM 782 C ARG A 52 13.878 -9.348 -13.336 1.00 21.52 C ATOM 783 O ARG A 52 13.226 -8.367 -13.693 1.00 65.04 O ATOM 784 CB ARG A 52 12.892 -10.402 -11.292 1.00 51.34 C ATOM 785 CG ARG A 52 14.137 -10.159 -10.455 1.00 13.14 C ATOM 786 CD ARG A 52 14.063 -10.889 -9.123 1.00 21.41 C ATOM 787 NE ARG A 52 14.991 -10.333 -8.142 1.00 31.44 N ATOM 788 CZ ARG A 52 15.412 -10.997 -7.071 1.00 3.54 C ATOM 789 NH1 ARG A 52 14.991 -12.233 -6.844 1.00 65.34 N ATOM 790 NH2 ARG A 52 16.257 -10.423 -6.223 1.00 41.34 N ATOM 0 H ARG A 52 14.201 -12.307 -12.144 1.00 64.05 H new ATOM 0 HA ARG A 52 12.242 -10.725 -13.317 1.00 31.05 H new ATOM 0 HB2 ARG A 52 12.210 -9.561 -11.166 1.00 51.34 H new ATOM 0 HB3 ARG A 52 12.379 -11.287 -10.917 1.00 51.34 H new ATOM 0 HG2 ARG A 52 15.017 -10.491 -11.005 1.00 13.14 H new ATOM 0 HG3 ARG A 52 14.256 -9.090 -10.279 1.00 13.14 H new ATOM 0 HD2 ARG A 52 13.046 -10.831 -8.734 1.00 21.41 H new ATOM 0 HD3 ARG A 52 14.286 -11.945 -9.275 1.00 21.41 H new ATOM 0 HE ARG A 52 15.335 -9.384 -8.287 1.00 31.44 H new ATOM 0 HH11 ARG A 52 14.342 -12.678 -7.493 1.00 65.34 H new ATOM 0 HH12 ARG A 52 15.317 -12.740 -6.021 1.00 65.34 H new ATOM 0 HH21 ARG A 52 16.583 -9.472 -6.394 1.00 41.34 H new ATOM 0 HH22 ARG A 52 16.580 -10.933 -5.401 1.00 41.34 H new ATOM 804 N ASP A 53 15.204 -9.400 -13.403 1.00 32.04 N ATOM 805 CA ASP A 53 15.988 -8.281 -13.913 1.00 32.13 C ATOM 806 C ASP A 53 15.879 -8.189 -15.431 1.00 51.15 C ATOM 807 O ASP A 53 15.578 -7.128 -15.978 1.00 32.31 O ATOM 808 CB ASP A 53 17.454 -8.429 -13.502 1.00 53.40 C ATOM 809 CG ASP A 53 18.357 -7.440 -14.214 1.00 35.33 C ATOM 810 OD1 ASP A 53 18.052 -6.230 -14.182 1.00 51.21 O ATOM 811 OD2 ASP A 53 19.367 -7.877 -14.803 1.00 63.41 O ATOM 0 H ASP A 53 15.758 -10.205 -13.111 1.00 32.04 H new ATOM 0 HA ASP A 53 15.589 -7.363 -13.482 1.00 32.13 H new ATOM 0 HB2 ASP A 53 17.543 -8.287 -12.425 1.00 53.40 H new ATOM 0 HB3 ASP A 53 17.789 -9.443 -13.719 1.00 53.40 H new ATOM 816 N GLU A 54 16.127 -9.307 -16.107 1.00 1.05 N ATOM 817 CA GLU A 54 16.059 -9.351 -17.562 1.00 55.45 C ATOM 818 C GLU A 54 14.730 -8.791 -18.062 1.00 15.14 C ATOM 819 O GLU A 54 14.696 -7.946 -18.956 1.00 43.42 O ATOM 820 CB GLU A 54 16.239 -10.786 -18.061 1.00 4.11 C ATOM 821 CG GLU A 54 16.525 -10.881 -19.550 1.00 63.52 C ATOM 822 CD GLU A 54 17.291 -12.137 -19.918 1.00 24.53 C ATOM 823 OE1 GLU A 54 18.237 -12.491 -19.182 1.00 71.44 O ATOM 824 OE2 GLU A 54 16.946 -12.766 -20.940 1.00 1.02 O ATOM 0 H GLU A 54 16.377 -10.194 -15.669 1.00 1.05 H new ATOM 0 HA GLU A 54 16.866 -8.733 -17.956 1.00 55.45 H new ATOM 0 HB2 GLU A 54 17.057 -11.253 -17.512 1.00 4.11 H new ATOM 0 HB3 GLU A 54 15.338 -11.356 -17.836 1.00 4.11 H new ATOM 0 HG2 GLU A 54 15.584 -10.860 -20.099 1.00 63.52 H new ATOM 0 HG3 GLU A 54 17.096 -10.007 -19.863 1.00 63.52 H new ATOM 831 N TYR A 55 13.637 -9.269 -17.477 1.00 55.23 N ATOM 832 CA TYR A 55 12.304 -8.819 -17.864 1.00 25.21 C ATOM 833 C TYR A 55 12.123 -7.334 -17.565 1.00 75.21 C ATOM 834 O TYR A 55 11.859 -6.535 -18.465 1.00 22.31 O ATOM 835 CB TYR A 55 11.236 -9.633 -17.131 1.00 42.24 C ATOM 836 CG TYR A 55 9.838 -9.079 -17.291 1.00 23.14 C ATOM 837 CD1 TYR A 55 9.103 -9.318 -18.445 1.00 34.51 C ATOM 838 CD2 TYR A 55 9.253 -8.316 -16.288 1.00 5.13 C ATOM 839 CE1 TYR A 55 7.825 -8.814 -18.595 1.00 62.12 C ATOM 840 CE2 TYR A 55 7.976 -7.809 -16.429 1.00 3.23 C ATOM 841 CZ TYR A 55 7.266 -8.060 -17.584 1.00 64.43 C ATOM 842 OH TYR A 55 5.994 -7.556 -17.729 1.00 44.22 O ATOM 0 H TYR A 55 13.647 -9.967 -16.734 1.00 55.23 H new ATOM 0 HA TYR A 55 12.193 -8.971 -18.938 1.00 25.21 H new ATOM 0 HB2 TYR A 55 11.256 -10.659 -17.500 1.00 42.24 H new ATOM 0 HB3 TYR A 55 11.484 -9.671 -16.070 1.00 42.24 H new ATOM 0 HD1 TYR A 55 9.538 -9.908 -19.239 1.00 34.51 H new ATOM 0 HD2 TYR A 55 9.806 -8.116 -15.382 1.00 5.13 H new ATOM 0 HE1 TYR A 55 7.267 -9.009 -19.499 1.00 62.12 H new ATOM 0 HE2 TYR A 55 7.536 -7.219 -15.639 1.00 3.23 H new ATOM 0 HH TYR A 55 6.024 -6.748 -18.282 1.00 44.22 H new ATOM 852 N LEU A 56 12.265 -6.971 -16.295 1.00 64.42 N ATOM 853 CA LEU A 56 12.118 -5.582 -15.875 1.00 60.13 C ATOM 854 C LEU A 56 12.972 -4.659 -16.739 1.00 13.24 C ATOM 855 O LEU A 56 12.622 -3.499 -16.958 1.00 61.13 O ATOM 856 CB LEU A 56 12.509 -5.429 -14.404 1.00 72.23 C ATOM 857 CG LEU A 56 11.402 -5.700 -13.384 1.00 64.32 C ATOM 858 CD1 LEU A 56 11.991 -6.238 -12.089 1.00 74.41 C ATOM 859 CD2 LEU A 56 10.598 -4.436 -13.122 1.00 15.23 C ATOM 0 H LEU A 56 12.482 -7.619 -15.538 1.00 64.42 H new ATOM 0 HA LEU A 56 11.072 -5.300 -15.998 1.00 60.13 H new ATOM 0 HB2 LEU A 56 13.339 -6.104 -14.197 1.00 72.23 H new ATOM 0 HB3 LEU A 56 12.877 -4.415 -14.250 1.00 72.23 H new ATOM 0 HG LEU A 56 10.731 -6.454 -13.795 1.00 64.32 H new ATOM 0 HD11 LEU A 56 11.189 -6.425 -11.375 1.00 74.41 H new ATOM 0 HD12 LEU A 56 12.523 -7.168 -12.290 1.00 74.41 H new ATOM 0 HD13 LEU A 56 12.684 -5.507 -11.673 1.00 74.41 H new ATOM 0 HD21 LEU A 56 9.815 -4.647 -12.394 1.00 15.23 H new ATOM 0 HD22 LEU A 56 11.257 -3.660 -12.732 1.00 15.23 H new ATOM 0 HD23 LEU A 56 10.145 -4.093 -14.052 1.00 15.23 H new ATOM 871 N SER A 57 14.092 -5.182 -17.227 1.00 54.04 N ATOM 872 CA SER A 57 14.996 -4.404 -18.066 1.00 23.21 C ATOM 873 C SER A 57 14.416 -4.219 -19.465 1.00 22.12 C ATOM 874 O SER A 57 14.253 -3.094 -19.938 1.00 51.31 O ATOM 875 CB SER A 57 16.361 -5.091 -18.154 1.00 13.41 C ATOM 876 OG SER A 57 17.332 -4.225 -18.715 1.00 51.34 O ATOM 0 H SER A 57 14.395 -6.141 -17.056 1.00 54.04 H new ATOM 0 HA SER A 57 15.120 -3.421 -17.611 1.00 23.21 H new ATOM 0 HB2 SER A 57 16.679 -5.404 -17.159 1.00 13.41 H new ATOM 0 HB3 SER A 57 16.279 -5.993 -18.761 1.00 13.41 H new ATOM 0 HG SER A 57 18.195 -4.686 -18.759 1.00 51.34 H new ATOM 882 N LEU A 58 14.107 -5.331 -20.122 1.00 33.53 N ATOM 883 CA LEU A 58 13.544 -5.294 -21.467 1.00 44.03 C ATOM 884 C LEU A 58 12.229 -4.521 -21.487 1.00 23.44 C ATOM 885 O LEU A 58 11.931 -3.806 -22.443 1.00 44.11 O ATOM 886 CB LEU A 58 13.322 -6.715 -21.988 1.00 50.01 C ATOM 887 CG LEU A 58 14.580 -7.561 -22.190 1.00 11.44 C ATOM 888 CD1 LEU A 58 14.239 -8.866 -22.891 1.00 33.45 C ATOM 889 CD2 LEU A 58 15.623 -6.785 -22.981 1.00 52.11 C ATOM 0 H LEU A 58 14.237 -6.270 -19.745 1.00 33.53 H new ATOM 0 HA LEU A 58 14.254 -4.782 -22.117 1.00 44.03 H new ATOM 0 HB2 LEU A 58 12.665 -7.237 -21.292 1.00 50.01 H new ATOM 0 HB3 LEU A 58 12.794 -6.653 -22.939 1.00 50.01 H new ATOM 0 HG LEU A 58 14.997 -7.797 -21.211 1.00 11.44 H new ATOM 0 HD11 LEU A 58 15.147 -9.454 -23.026 1.00 33.45 H new ATOM 0 HD12 LEU A 58 13.528 -9.429 -22.286 1.00 33.45 H new ATOM 0 HD13 LEU A 58 13.797 -8.652 -23.864 1.00 33.45 H new ATOM 0 HD21 LEU A 58 16.511 -7.402 -23.115 1.00 52.11 H new ATOM 0 HD22 LEU A 58 15.216 -6.518 -23.956 1.00 52.11 H new ATOM 0 HD23 LEU A 58 15.890 -5.878 -22.439 1.00 52.11 H new ATOM 901 N VAL A 59 11.446 -4.669 -20.423 1.00 23.34 N ATOM 902 CA VAL A 59 10.164 -3.983 -20.315 1.00 64.04 C ATOM 903 C VAL A 59 10.352 -2.471 -20.279 1.00 1.51 C ATOM 904 O VAL A 59 9.787 -1.745 -21.096 1.00 53.22 O ATOM 905 CB VAL A 59 9.395 -4.424 -19.056 1.00 61.31 C ATOM 906 CG1 VAL A 59 8.100 -3.638 -18.918 1.00 62.24 C ATOM 907 CG2 VAL A 59 9.119 -5.920 -19.098 1.00 13.41 C ATOM 0 H VAL A 59 11.677 -5.258 -19.623 1.00 23.34 H new ATOM 0 HA VAL A 59 9.585 -4.254 -21.198 1.00 64.04 H new ATOM 0 HB VAL A 59 10.013 -4.216 -18.182 1.00 61.31 H new ATOM 0 HG11 VAL A 59 7.570 -3.964 -18.023 1.00 62.24 H new ATOM 0 HG12 VAL A 59 8.326 -2.575 -18.839 1.00 62.24 H new ATOM 0 HG13 VAL A 59 7.474 -3.812 -19.793 1.00 62.24 H new ATOM 0 HG21 VAL A 59 8.575 -6.215 -18.201 1.00 13.41 H new ATOM 0 HG22 VAL A 59 8.521 -6.155 -19.979 1.00 13.41 H new ATOM 0 HG23 VAL A 59 10.063 -6.463 -19.145 1.00 13.41 H new ATOM 917 N ALA A 60 11.151 -2.002 -19.326 1.00 13.34 N ATOM 918 CA ALA A 60 11.415 -0.575 -19.184 1.00 25.41 C ATOM 919 C ALA A 60 11.820 0.043 -20.518 1.00 13.12 C ATOM 920 O ALA A 60 11.202 1.002 -20.981 1.00 11.25 O ATOM 921 CB ALA A 60 12.499 -0.341 -18.141 1.00 55.33 C ATOM 0 H ALA A 60 11.627 -2.589 -18.641 1.00 13.34 H new ATOM 0 HA ALA A 60 10.496 -0.091 -18.853 1.00 25.41 H new ATOM 0 HB1 ALA A 60 12.687 0.728 -18.045 1.00 55.33 H new ATOM 0 HB2 ALA A 60 12.172 -0.740 -17.181 1.00 55.33 H new ATOM 0 HB3 ALA A 60 13.416 -0.844 -18.450 1.00 55.33 H new ATOM 927 N ARG A 61 12.860 -0.511 -21.131 1.00 25.33 N ATOM 928 CA ARG A 61 13.348 -0.012 -22.411 1.00 20.32 C ATOM 929 C ARG A 61 12.206 0.114 -23.415 1.00 45.44 C ATOM 930 O ARG A 61 12.097 1.116 -24.124 1.00 62.12 O ATOM 931 CB ARG A 61 14.429 -0.941 -22.966 1.00 24.10 C ATOM 932 CG ARG A 61 15.803 -0.296 -23.047 1.00 63.11 C ATOM 933 CD ARG A 61 16.592 -0.814 -24.240 1.00 2.14 C ATOM 934 NE ARG A 61 18.019 -0.919 -23.948 1.00 23.22 N ATOM 935 CZ ARG A 61 18.885 -1.550 -24.733 1.00 45.31 C ATOM 936 NH1 ARG A 61 18.472 -2.128 -25.852 1.00 53.43 N ATOM 937 NH2 ARG A 61 20.169 -1.602 -24.400 1.00 33.53 N ATOM 0 H ARG A 61 13.382 -1.306 -20.762 1.00 25.33 H new ATOM 0 HA ARG A 61 13.777 0.977 -22.248 1.00 20.32 H new ATOM 0 HB2 ARG A 61 14.490 -1.829 -22.337 1.00 24.10 H new ATOM 0 HB3 ARG A 61 14.134 -1.274 -23.961 1.00 24.10 H new ATOM 0 HG2 ARG A 61 15.694 0.786 -23.123 1.00 63.11 H new ATOM 0 HG3 ARG A 61 16.355 -0.497 -22.129 1.00 63.11 H new ATOM 0 HD2 ARG A 61 16.209 -1.792 -24.531 1.00 2.14 H new ATOM 0 HD3 ARG A 61 16.444 -0.148 -25.090 1.00 2.14 H new ATOM 0 HE ARG A 61 18.370 -0.484 -23.095 1.00 23.22 H new ATOM 0 HH11 ARG A 61 17.487 -2.089 -26.113 1.00 53.43 H new ATOM 0 HH12 ARG A 61 19.140 -2.612 -26.453 1.00 53.43 H new ATOM 0 HH21 ARG A 61 20.491 -1.157 -23.541 1.00 33.53 H new ATOM 0 HH22 ARG A 61 20.833 -2.087 -25.004 1.00 33.53 H new ATOM 951 N LEU A 62 11.359 -0.907 -23.471 1.00 52.25 N ATOM 952 CA LEU A 62 10.225 -0.911 -24.390 1.00 1.54 C ATOM 953 C LEU A 62 9.298 0.270 -24.115 1.00 65.34 C ATOM 954 O LEU A 62 8.971 1.037 -25.021 1.00 11.53 O ATOM 955 CB LEU A 62 9.448 -2.223 -24.267 1.00 5.42 C ATOM 956 CG LEU A 62 8.153 -2.314 -25.074 1.00 40.10 C ATOM 957 CD1 LEU A 62 8.103 -3.616 -25.858 1.00 30.34 C ATOM 958 CD2 LEU A 62 6.944 -2.194 -24.158 1.00 1.13 C ATOM 0 H LEU A 62 11.435 -1.743 -22.891 1.00 52.25 H new ATOM 0 HA LEU A 62 10.611 -0.818 -25.405 1.00 1.54 H new ATOM 0 HB2 LEU A 62 10.102 -3.039 -24.574 1.00 5.42 H new ATOM 0 HB3 LEU A 62 9.209 -2.384 -23.216 1.00 5.42 H new ATOM 0 HG LEU A 62 8.130 -1.486 -25.783 1.00 40.10 H new ATOM 0 HD11 LEU A 62 7.174 -3.663 -26.426 1.00 30.34 H new ATOM 0 HD12 LEU A 62 8.950 -3.661 -26.543 1.00 30.34 H new ATOM 0 HD13 LEU A 62 8.149 -4.458 -25.168 1.00 30.34 H new ATOM 0 HD21 LEU A 62 6.031 -2.261 -24.750 1.00 1.13 H new ATOM 0 HD22 LEU A 62 6.961 -3.001 -23.425 1.00 1.13 H new ATOM 0 HD23 LEU A 62 6.972 -1.234 -23.642 1.00 1.13 H new ATOM 970 N ILE A 63 8.881 0.409 -22.862 1.00 24.14 N ATOM 971 CA ILE A 63 7.996 1.498 -22.468 1.00 74.51 C ATOM 972 C ILE A 63 8.622 2.854 -22.774 1.00 30.20 C ATOM 973 O ILE A 63 7.988 3.720 -23.378 1.00 33.43 O ATOM 974 CB ILE A 63 7.652 1.430 -20.968 1.00 61.24 C ATOM 975 CG1 ILE A 63 6.668 0.290 -20.699 1.00 73.23 C ATOM 976 CG2 ILE A 63 7.076 2.757 -20.496 1.00 63.44 C ATOM 977 CD1 ILE A 63 6.400 0.057 -19.229 1.00 13.22 C ATOM 0 H ILE A 63 9.142 -0.219 -22.102 1.00 24.14 H new ATOM 0 HA ILE A 63 7.080 1.385 -23.048 1.00 74.51 H new ATOM 0 HB ILE A 63 8.567 1.234 -20.409 1.00 61.24 H new ATOM 0 HG12 ILE A 63 5.726 0.508 -21.202 1.00 73.23 H new ATOM 0 HG13 ILE A 63 7.059 -0.628 -21.139 1.00 73.23 H new ATOM 0 HG21 ILE A 63 6.838 2.693 -19.434 1.00 63.44 H new ATOM 0 HG22 ILE A 63 7.807 3.549 -20.657 1.00 63.44 H new ATOM 0 HG23 ILE A 63 6.169 2.981 -21.058 1.00 63.44 H new ATOM 0 HD11 ILE A 63 5.694 -0.765 -19.114 1.00 13.22 H new ATOM 0 HD12 ILE A 63 7.333 -0.193 -18.724 1.00 13.22 H new ATOM 0 HD13 ILE A 63 5.979 0.961 -18.788 1.00 13.22 H new ATOM 989 N ILE A 64 9.870 3.031 -22.355 1.00 64.30 N ATOM 990 CA ILE A 64 10.584 4.281 -22.587 1.00 34.41 C ATOM 991 C ILE A 64 10.632 4.618 -24.073 1.00 52.41 C ATOM 992 O ILE A 64 10.338 5.745 -24.475 1.00 21.13 O ATOM 993 CB ILE A 64 12.022 4.218 -22.039 1.00 53.22 C ATOM 994 CG1 ILE A 64 12.005 4.114 -20.513 1.00 22.32 C ATOM 995 CG2 ILE A 64 12.811 5.440 -22.483 1.00 41.54 C ATOM 996 CD1 ILE A 64 12.949 3.064 -19.969 1.00 12.02 C ATOM 0 H ILE A 64 10.408 2.325 -21.853 1.00 64.30 H new ATOM 0 HA ILE A 64 10.036 5.061 -22.057 1.00 34.41 H new ATOM 0 HB ILE A 64 12.510 3.329 -22.440 1.00 53.22 H new ATOM 0 HG12 ILE A 64 12.268 5.083 -20.088 1.00 22.32 H new ATOM 0 HG13 ILE A 64 10.991 3.886 -20.184 1.00 22.32 H new ATOM 0 HG21 ILE A 64 13.825 5.381 -22.088 1.00 41.54 H new ATOM 0 HG22 ILE A 64 12.847 5.474 -23.572 1.00 41.54 H new ATOM 0 HG23 ILE A 64 12.327 6.342 -22.108 1.00 41.54 H new ATOM 0 HD11 ILE A 64 12.885 3.046 -18.881 1.00 12.02 H new ATOM 0 HD12 ILE A 64 12.674 2.087 -20.365 1.00 12.02 H new ATOM 0 HD13 ILE A 64 13.970 3.302 -20.268 1.00 12.02 H new ATOM 1008 N HIS A 65 11.003 3.635 -24.886 1.00 72.54 N ATOM 1009 CA HIS A 65 11.087 3.827 -26.330 1.00 21.52 C ATOM 1010 C HIS A 65 9.752 4.305 -26.893 1.00 64.01 C ATOM 1011 O HIS A 65 9.713 5.098 -27.834 1.00 75.01 O ATOM 1012 CB HIS A 65 11.506 2.525 -27.015 1.00 2.50 C ATOM 1013 CG HIS A 65 12.552 2.714 -28.070 1.00 44.20 C ATOM 1014 ND1 HIS A 65 13.707 1.963 -28.128 1.00 21.33 N ATOM 1015 CD2 HIS A 65 12.613 3.574 -29.113 1.00 55.43 C ATOM 1016 CE1 HIS A 65 14.433 2.354 -29.160 1.00 21.22 C ATOM 1017 NE2 HIS A 65 13.791 3.330 -29.775 1.00 11.52 N ATOM 0 H HIS A 65 11.250 2.697 -24.570 1.00 72.54 H new ATOM 0 HA HIS A 65 11.839 4.591 -26.527 1.00 21.52 H new ATOM 0 HB2 HIS A 65 11.882 1.832 -26.262 1.00 2.50 H new ATOM 0 HB3 HIS A 65 10.628 2.061 -27.464 1.00 2.50 H new ATOM 0 HD2 HIS A 65 11.872 4.315 -29.376 1.00 55.43 H new ATOM 0 HE1 HIS A 65 15.389 1.945 -29.451 1.00 21.22 H new ATOM 0 HE2 HIS A 65 14.117 3.823 -30.607 1.00 11.52 H new ATOM 1025 N PHE A 66 8.661 3.817 -26.312 1.00 4.31 N ATOM 1026 CA PHE A 66 7.325 4.194 -26.757 1.00 73.30 C ATOM 1027 C PHE A 66 7.046 5.664 -26.457 1.00 74.45 C ATOM 1028 O PHE A 66 6.545 6.397 -27.310 1.00 15.54 O ATOM 1029 CB PHE A 66 6.272 3.314 -26.079 1.00 51.51 C ATOM 1030 CG PHE A 66 5.984 2.042 -26.823 1.00 65.30 C ATOM 1031 CD1 PHE A 66 5.446 2.076 -28.099 1.00 42.12 C ATOM 1032 CD2 PHE A 66 6.252 0.811 -26.246 1.00 22.22 C ATOM 1033 CE1 PHE A 66 5.181 0.907 -28.787 1.00 32.22 C ATOM 1034 CE2 PHE A 66 5.989 -0.362 -26.929 1.00 3.34 C ATOM 1035 CZ PHE A 66 5.452 -0.314 -28.200 1.00 51.31 C ATOM 0 H PHE A 66 8.676 3.160 -25.532 1.00 4.31 H new ATOM 0 HA PHE A 66 7.273 4.046 -27.836 1.00 73.30 H new ATOM 0 HB2 PHE A 66 6.609 3.068 -25.072 1.00 51.51 H new ATOM 0 HB3 PHE A 66 5.348 3.882 -25.975 1.00 51.51 H new ATOM 0 HD1 PHE A 66 5.231 3.028 -28.562 1.00 42.12 H new ATOM 0 HD2 PHE A 66 6.671 0.767 -25.252 1.00 22.22 H new ATOM 0 HE1 PHE A 66 4.763 0.948 -29.782 1.00 32.22 H new ATOM 0 HE2 PHE A 66 6.203 -1.315 -26.469 1.00 3.34 H new ATOM 0 HZ PHE A 66 5.244 -1.229 -28.734 1.00 51.31 H new