USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 338 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 386 HIS : no HD1:sc= 1.06 K(o=1,f=-6.4!) USER MOD Set 1.2: B 211 TYR OH : rot 120:sc= -0.0595 USER MOD Set 2.1: A 385 ASN : amide:sc= -2.56! C(o=-5.8!,f=-8.7!) USER MOD Set 2.2: A 388 ASN : amide:sc= -3.26! C(o=-5.8!,f=-15!) USER MOD Single : A 369 SER OG : rot 40:sc= 0.106 USER MOD Single : A 375 LYS NZ :NH3+ -160:sc= -1.51! (180deg=-2.41!) USER MOD Single : A 378 LYS NZ :NH3+ 176:sc= 0.975 (180deg=0.768!) USER MOD Single : A 381 THR OG1 : rot 48:sc= 0.395 USER MOD Single : A 382 TYR OH : rot 165:sc= 0 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 44:sc= 0.408 USER MOD Single : A 392 THR OG1 : rot 180:sc= 0.316 USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 180:sc= 0.174 USER MOD Single : B 212 SER OG : rot 114:sc= 0.198 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 367 -12.895 1.677 -0.274 1.00 15.00 N ATOM 25 CA LEU A 367 -11.768 2.597 -0.235 1.00 15.00 C ATOM 26 C LEU A 367 -11.882 3.533 0.970 1.00 15.00 C ATOM 27 O LEU A 367 -12.765 4.391 1.010 1.00 15.00 O ATOM 28 CB LEU A 367 -11.714 3.407 -1.540 1.00 15.00 C ATOM 29 CG LEU A 367 -10.344 3.992 -1.920 1.00 15.00 C ATOM 30 CD1 LEU A 367 -10.382 4.532 -3.338 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.917 5.094 -0.960 1.00 15.00 C ATOM 0 HA LEU A 367 -10.847 2.023 -0.135 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -12.051 2.766 -2.355 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.428 4.227 -1.464 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.612 3.187 -1.855 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -9.407 4.944 -3.597 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.630 3.725 -4.028 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -11.137 5.315 -3.409 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.944 5.482 -1.261 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.651 5.899 -0.981 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -9.849 4.690 0.050 1.00 15.00 H new ATOM 43 N PRO A 368 -11.014 3.363 1.981 1.00 15.00 N ATOM 44 CA PRO A 368 -10.943 4.265 3.123 1.00 15.00 C ATOM 45 C PRO A 368 -9.963 5.417 2.883 1.00 15.00 C ATOM 46 O PRO A 368 -8.903 5.231 2.278 1.00 15.00 O ATOM 47 CB PRO A 368 -10.444 3.362 4.255 1.00 15.00 C ATOM 48 CG PRO A 368 -9.851 2.143 3.608 1.00 15.00 C ATOM 49 CD PRO A 368 -10.051 2.261 2.117 1.00 15.00 C ATOM 0 HA PRO A 368 -11.900 4.742 3.333 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -9.700 3.878 4.862 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.263 3.087 4.920 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.790 2.064 3.845 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -10.330 1.240 3.986 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.115 2.481 1.604 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.438 1.336 1.690 1.00 15.00 H new ATOM 57 N SER A 369 -10.304 6.599 3.381 1.00 15.00 N ATOM 58 CA SER A 369 -9.481 7.779 3.176 1.00 15.00 C ATOM 59 C SER A 369 -8.179 7.669 3.962 1.00 15.00 C ATOM 60 O SER A 369 -8.184 7.562 5.190 1.00 15.00 O ATOM 61 CB SER A 369 -10.249 9.040 3.581 1.00 15.00 C ATOM 62 OG SER A 369 -10.803 8.902 4.878 1.00 15.00 O ATOM 0 H SER A 369 -11.147 6.764 3.931 1.00 15.00 H new ATOM 0 HA SER A 369 -9.235 7.849 2.116 1.00 15.00 H new ATOM 0 HB2 SER A 369 -9.581 9.901 3.557 1.00 15.00 H new ATOM 0 HB3 SER A 369 -11.044 9.233 2.861 1.00 15.00 H new ATOM 0 HG SER A 369 -10.159 8.451 5.463 1.00 15.00 H new ATOM 68 N GLY A 370 -7.074 7.685 3.237 1.00 15.00 N ATOM 69 CA GLY A 370 -5.778 7.504 3.847 1.00 15.00 C ATOM 70 C GLY A 370 -5.016 6.402 3.154 1.00 15.00 C ATOM 71 O GLY A 370 -3.785 6.381 3.157 1.00 15.00 O ATOM 0 H GLY A 370 -7.053 7.822 2.226 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.212 8.434 3.794 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -5.897 7.263 4.903 1.00 15.00 H new ATOM 75 N TRP A 371 -5.766 5.494 2.547 1.00 15.00 N ATOM 76 CA TRP A 371 -5.196 4.390 1.794 1.00 15.00 C ATOM 77 C TRP A 371 -5.124 4.755 0.318 1.00 15.00 C ATOM 78 O TRP A 371 -6.134 5.114 -0.284 1.00 15.00 O ATOM 79 CB TRP A 371 -6.056 3.132 1.955 1.00 15.00 C ATOM 80 CG TRP A 371 -6.095 2.573 3.348 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.627 3.159 4.461 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.602 1.294 3.766 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.498 2.321 5.542 1.00 15.00 N ATOM 84 CE2 TRP A 371 -5.870 1.173 5.142 1.00 15.00 C ATOM 85 CE3 TRP A 371 -4.962 0.241 3.110 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.518 0.041 5.871 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.611 -0.882 3.834 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.892 -0.975 5.202 1.00 15.00 C ATOM 0 H TRP A 371 -6.786 5.503 2.563 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.195 4.193 2.177 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.074 3.362 1.642 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.681 2.363 1.280 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.082 4.138 4.487 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -6.818 2.522 6.489 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.745 0.303 2.054 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.731 -0.033 6.927 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -4.112 -1.701 3.337 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.609 -1.867 5.741 1.00 15.00 H new ATOM 99 N GLU A 372 -3.937 4.679 -0.261 1.00 15.00 N ATOM 100 CA GLU A 372 -3.796 4.908 -1.687 1.00 15.00 C ATOM 101 C GLU A 372 -3.422 3.609 -2.388 1.00 15.00 C ATOM 102 O GLU A 372 -2.362 3.034 -2.140 1.00 15.00 O ATOM 103 CB GLU A 372 -2.765 5.997 -1.991 1.00 15.00 C ATOM 104 CG GLU A 372 -2.943 7.268 -1.183 1.00 15.00 C ATOM 105 CD GLU A 372 -1.916 8.318 -1.541 1.00 15.00 C ATOM 106 OE1 GLU A 372 -0.784 8.247 -1.020 1.00 15.00 O ATOM 107 OE2 GLU A 372 -2.229 9.209 -2.353 1.00 15.00 O1- ATOM 0 H GLU A 372 -3.068 4.463 0.228 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.757 5.258 -2.065 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.768 5.599 -1.805 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.817 6.244 -3.051 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.943 7.667 -1.352 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.868 7.035 -0.121 1.00 15.00 H new ATOM 114 N GLU A 373 -4.315 3.153 -3.247 1.00 15.00 N ATOM 115 CA GLU A 373 -4.141 1.897 -3.966 1.00 15.00 C ATOM 116 C GLU A 373 -3.433 2.173 -5.270 1.00 15.00 C ATOM 117 O GLU A 373 -4.002 2.778 -6.179 1.00 15.00 O ATOM 118 CB GLU A 373 -5.502 1.283 -4.235 1.00 15.00 C ATOM 119 CG GLU A 373 -6.490 1.661 -3.164 1.00 15.00 C ATOM 120 CD GLU A 373 -7.916 1.279 -3.505 1.00 15.00 C ATOM 121 OE1 GLU A 373 -8.133 0.630 -4.550 1.00 15.00 O ATOM 122 OE2 GLU A 373 -8.826 1.591 -2.716 1.00 15.00 O1- ATOM 0 H GLU A 373 -5.183 3.641 -3.468 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.547 1.203 -3.371 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.869 1.616 -5.206 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.411 0.198 -4.284 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -6.205 1.178 -2.229 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.439 2.737 -2.995 1.00 15.00 H new ATOM 129 N ARG A 374 -2.188 1.769 -5.358 1.00 15.00 N ATOM 130 CA ARG A 374 -1.360 2.198 -6.460 1.00 15.00 C ATOM 131 C ARG A 374 -0.566 1.041 -7.043 1.00 15.00 C ATOM 132 O ARG A 374 -0.043 0.194 -6.314 1.00 15.00 O ATOM 133 CB ARG A 374 -0.454 3.323 -5.974 1.00 15.00 C ATOM 134 CG ARG A 374 -1.237 4.537 -5.479 1.00 15.00 C ATOM 135 CD ARG A 374 -0.303 5.607 -4.933 1.00 15.00 C ATOM 136 NE ARG A 374 -1.014 6.828 -4.546 1.00 15.00 N ATOM 137 CZ ARG A 374 -1.441 7.757 -5.403 1.00 15.00 C ATOM 138 NH1 ARG A 374 -1.264 7.599 -6.708 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 -2.045 8.846 -4.948 1.00 15.00 N ATOM 0 H ARG A 374 -1.730 1.151 -4.688 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.989 2.569 -7.269 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.180 2.952 -5.169 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.207 3.628 -6.785 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.829 4.949 -6.296 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.937 4.230 -4.702 1.00 15.00 H new ATOM 0 HD2 ARG A 374 0.231 5.212 -4.069 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.446 5.850 -5.687 1.00 15.00 H new ATOM 0 HE ARG A 374 -1.195 6.978 -3.553 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -0.799 6.763 -7.062 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -1.593 8.313 -7.357 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -2.182 8.972 -3.945 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -2.373 9.558 -5.601 1.00 15.00 H new ATOM 153 N LYS A 375 -0.485 1.019 -8.365 1.00 15.00 N ATOM 154 CA LYS A 375 0.157 -0.070 -9.082 1.00 15.00 C ATOM 155 C LYS A 375 1.482 0.391 -9.678 1.00 15.00 C ATOM 156 O LYS A 375 1.518 1.301 -10.506 1.00 15.00 O ATOM 157 CB LYS A 375 -0.756 -0.599 -10.200 1.00 15.00 C ATOM 158 CG LYS A 375 -2.059 -1.230 -9.716 1.00 15.00 C ATOM 159 CD LYS A 375 -3.096 -0.194 -9.292 1.00 15.00 C ATOM 160 CE LYS A 375 -3.902 0.344 -10.471 1.00 15.00 C ATOM 161 NZ LYS A 375 -3.065 1.065 -11.468 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.860 1.752 -8.967 1.00 15.00 H new ATOM 0 HA LYS A 375 0.346 -0.875 -8.371 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -0.995 0.223 -10.874 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.205 -1.338 -10.781 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -2.475 -1.849 -10.511 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -1.847 -1.891 -8.875 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -3.775 -0.641 -8.566 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -2.594 0.634 -8.792 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -4.411 -0.484 -10.964 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -4.674 1.017 -10.099 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -3.669 1.684 -12.046 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -2.354 1.640 -10.973 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -2.587 0.376 -12.083 1.00 15.00 H new ATOM 175 N ASP A 376 2.559 -0.251 -9.260 1.00 15.00 N ATOM 176 CA ASP A 376 3.896 0.079 -9.747 1.00 15.00 C ATOM 177 C ASP A 376 4.205 -0.756 -10.989 1.00 15.00 C ATOM 178 O ASP A 376 3.711 -1.873 -11.118 1.00 15.00 O ATOM 179 CB ASP A 376 4.938 -0.174 -8.658 1.00 15.00 C ATOM 180 CG ASP A 376 6.222 0.605 -8.886 1.00 15.00 C ATOM 181 OD1 ASP A 376 6.742 0.606 -10.018 1.00 15.00 O1- ATOM 182 OD2 ASP A 376 6.730 1.220 -7.932 1.00 15.00 O ATOM 0 H ASP A 376 2.537 -1.010 -8.579 1.00 15.00 H new ATOM 0 HA ASP A 376 3.931 1.136 -10.010 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.519 0.098 -7.689 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.166 -1.239 -8.619 1.00 15.00 H new ATOM 187 N ALA A 377 5.030 -0.215 -11.881 1.00 15.00 N ATOM 188 CA ALA A 377 5.253 -0.785 -13.214 1.00 15.00 C ATOM 189 C ALA A 377 5.811 -2.214 -13.182 1.00 15.00 C ATOM 190 O ALA A 377 5.624 -2.968 -14.137 1.00 15.00 O ATOM 191 CB ALA A 377 6.181 0.119 -14.011 1.00 15.00 C ATOM 0 H ALA A 377 5.566 0.634 -11.703 1.00 15.00 H new ATOM 0 HA ALA A 377 4.277 -0.846 -13.696 1.00 15.00 H new ATOM 0 HB1 ALA A 377 6.344 -0.308 -15.000 1.00 15.00 H new ATOM 0 HB2 ALA A 377 5.729 1.106 -14.112 1.00 15.00 H new ATOM 0 HB3 ALA A 377 7.136 0.208 -13.493 1.00 15.00 H new ATOM 197 N LYS A 378 6.483 -2.598 -12.094 1.00 15.00 N ATOM 198 CA LYS A 378 6.974 -3.979 -11.955 1.00 15.00 C ATOM 199 C LYS A 378 5.796 -4.925 -11.809 1.00 15.00 C ATOM 200 O LYS A 378 5.928 -6.144 -11.921 1.00 15.00 O ATOM 201 CB LYS A 378 7.880 -4.170 -10.733 1.00 15.00 C ATOM 202 CG LYS A 378 9.005 -3.167 -10.596 1.00 15.00 C ATOM 203 CD LYS A 378 8.496 -1.870 -10.007 1.00 15.00 C ATOM 204 CE LYS A 378 9.616 -1.106 -9.313 1.00 15.00 C ATOM 205 NZ LYS A 378 9.098 -0.120 -8.334 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.699 -1.987 -11.306 1.00 15.00 H new ATOM 0 HA LYS A 378 7.556 -4.192 -12.852 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.264 -4.125 -9.835 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.311 -5.170 -10.774 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.790 -3.578 -9.960 1.00 15.00 H new ATOM 0 HG3 LYS A 378 9.452 -2.978 -11.572 1.00 15.00 H new ATOM 0 HD2 LYS A 378 8.065 -1.253 -10.796 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.698 -2.079 -9.294 1.00 15.00 H new ATOM 0 HE2 LYS A 378 10.273 -1.811 -8.803 1.00 15.00 H new ATOM 0 HE3 LYS A 378 10.220 -0.591 -10.060 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.895 0.328 -7.838 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.547 0.608 -8.833 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 8.488 -0.603 -7.644 1.00 15.00 H new ATOM 219 N GLY A 379 4.653 -4.337 -11.526 1.00 15.00 N ATOM 220 CA GLY A 379 3.455 -5.083 -11.278 1.00 15.00 C ATOM 221 C GLY A 379 3.300 -5.420 -9.818 1.00 15.00 C ATOM 222 O GLY A 379 3.042 -6.565 -9.454 1.00 15.00 O ATOM 0 H GLY A 379 4.537 -3.326 -11.463 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.592 -4.507 -11.612 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.471 -6.002 -11.864 1.00 15.00 H new ATOM 226 N ARG A 380 3.470 -4.412 -8.977 1.00 15.00 N ATOM 227 CA ARG A 380 3.287 -4.581 -7.548 1.00 15.00 C ATOM 228 C ARG A 380 2.094 -3.756 -7.094 1.00 15.00 C ATOM 229 O ARG A 380 2.129 -2.526 -7.132 1.00 15.00 O ATOM 230 CB ARG A 380 4.542 -4.162 -6.775 1.00 15.00 C ATOM 231 CG ARG A 380 5.847 -4.620 -7.412 1.00 15.00 C ATOM 232 CD ARG A 380 6.980 -4.642 -6.400 1.00 15.00 C ATOM 233 NE ARG A 380 6.833 -5.745 -5.448 1.00 15.00 N ATOM 234 CZ ARG A 380 7.437 -5.811 -4.261 1.00 15.00 C ATOM 235 NH1 ARG A 380 8.142 -4.783 -3.799 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 7.308 -6.906 -3.523 1.00 15.00 N ATOM 0 H ARG A 380 3.734 -3.469 -9.261 1.00 15.00 H new ATOM 0 HA ARG A 380 3.106 -5.636 -7.342 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.555 -3.076 -6.686 1.00 15.00 H new ATOM 0 HB3 ARG A 380 4.483 -4.564 -5.763 1.00 15.00 H new ATOM 0 HG2 ARG A 380 5.717 -5.616 -7.836 1.00 15.00 H new ATOM 0 HG3 ARG A 380 6.105 -3.954 -8.235 1.00 15.00 H new ATOM 0 HD2 ARG A 380 7.932 -4.736 -6.922 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.004 -3.696 -5.860 1.00 15.00 H new ATOM 0 HE ARG A 380 6.224 -6.519 -5.712 1.00 15.00 H new ATOM 0 HH11 ARG A 380 8.226 -3.931 -4.354 1.00 15.00 H new ATOM 0 HH12 ARG A 380 8.599 -4.846 -2.889 1.00 15.00 H new ATOM 0 HH21 ARG A 380 6.750 -7.689 -3.865 1.00 15.00 H new ATOM 0 HH22 ARG A 380 7.767 -6.965 -2.614 1.00 15.00 H new ATOM 250 N THR A 381 1.024 -4.436 -6.713 1.00 15.00 N ATOM 251 CA THR A 381 -0.176 -3.770 -6.236 1.00 15.00 C ATOM 252 C THR A 381 -0.139 -3.631 -4.718 1.00 15.00 C ATOM 253 O THR A 381 -0.496 -4.559 -3.993 1.00 15.00 O ATOM 254 CB THR A 381 -1.443 -4.543 -6.654 1.00 15.00 C ATOM 255 OG1 THR A 381 -1.312 -5.927 -6.298 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.684 -4.424 -8.151 1.00 15.00 C ATOM 0 H THR A 381 0.963 -5.454 -6.725 1.00 15.00 H new ATOM 0 HA THR A 381 -0.208 -2.779 -6.688 1.00 15.00 H new ATOM 0 HB THR A 381 -2.294 -4.109 -6.129 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.998 -5.998 -5.373 1.00 15.00 H new ATOM 0 HG21 THR A 381 -2.583 -4.978 -8.420 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.811 -3.375 -8.417 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.830 -4.834 -8.691 1.00 15.00 H new ATOM 264 N TYR A 382 0.313 -2.483 -4.237 1.00 15.00 N ATOM 265 CA TYR A 382 0.453 -2.277 -2.805 1.00 15.00 C ATOM 266 C TYR A 382 -0.569 -1.276 -2.281 1.00 15.00 C ATOM 267 O TYR A 382 -0.775 -0.203 -2.858 1.00 15.00 O ATOM 268 CB TYR A 382 1.889 -1.850 -2.445 1.00 15.00 C ATOM 269 CG TYR A 382 2.504 -0.806 -3.359 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.021 0.496 -3.408 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.582 -1.132 -4.172 1.00 15.00 C ATOM 272 CE1 TYR A 382 2.591 1.439 -4.241 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.157 -0.197 -5.007 1.00 15.00 C ATOM 274 CZ TYR A 382 3.658 1.088 -5.040 1.00 15.00 C ATOM 275 OH TYR A 382 4.222 2.020 -5.879 1.00 15.00 O ATOM 0 H TYR A 382 0.587 -1.686 -4.812 1.00 15.00 H new ATOM 0 HA TYR A 382 0.255 -3.230 -2.315 1.00 15.00 H new ATOM 0 HB2 TYR A 382 1.891 -1.463 -1.426 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.526 -2.735 -2.451 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.185 0.776 -2.784 1.00 15.00 H new ATOM 0 HD2 TYR A 382 3.977 -2.137 -4.150 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.203 2.446 -4.266 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.994 -0.470 -5.632 1.00 15.00 H new ATOM 0 HH TYR A 382 5.091 1.694 -6.193 1.00 15.00 H new ATOM 285 N TYR A 383 -1.226 -1.648 -1.193 1.00 15.00 N ATOM 286 CA TYR A 383 -2.143 -0.755 -0.510 1.00 15.00 C ATOM 287 C TYR A 383 -1.401 -0.054 0.617 1.00 15.00 C ATOM 288 O TYR A 383 -0.974 -0.699 1.574 1.00 15.00 O ATOM 289 CB TYR A 383 -3.334 -1.533 0.062 1.00 15.00 C ATOM 290 CG TYR A 383 -4.124 -2.313 -0.967 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.721 -3.582 -1.368 1.00 15.00 C ATOM 292 CD2 TYR A 383 -5.280 -1.786 -1.526 1.00 15.00 C ATOM 293 CE1 TYR A 383 -4.445 -4.301 -2.297 1.00 15.00 C ATOM 294 CE2 TYR A 383 -6.012 -2.501 -2.454 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.591 -3.758 -2.835 1.00 15.00 C ATOM 296 OH TYR A 383 -6.320 -4.475 -3.756 1.00 15.00 O ATOM 0 H TYR A 383 -1.139 -2.569 -0.764 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.523 -0.022 -1.222 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.970 -2.224 0.822 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -4.003 -0.833 0.562 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.825 -4.013 -0.945 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.612 -0.802 -1.231 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -4.115 -5.284 -2.600 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.910 -2.078 -2.879 1.00 15.00 H new ATOM 0 HH TYR A 383 -7.099 -3.951 -4.036 1.00 15.00 H new ATOM 306 N VAL A 384 -1.209 1.249 0.490 1.00 15.00 N ATOM 307 CA VAL A 384 -0.477 2.009 1.496 1.00 15.00 C ATOM 308 C VAL A 384 -1.415 2.922 2.279 1.00 15.00 C ATOM 309 O VAL A 384 -2.272 3.582 1.699 1.00 15.00 O ATOM 310 CB VAL A 384 0.656 2.849 0.867 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.735 1.953 0.282 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.115 3.777 -0.197 1.00 15.00 C ATOM 0 H VAL A 384 -1.548 1.803 -0.296 1.00 15.00 H new ATOM 0 HA VAL A 384 -0.030 1.285 2.177 1.00 15.00 H new ATOM 0 HB VAL A 384 1.099 3.453 1.659 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.521 2.568 -0.155 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.157 1.330 1.070 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.301 1.317 -0.490 1.00 15.00 H new ATOM 0 HG21 VAL A 384 0.933 4.357 -0.624 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -0.363 3.191 -0.982 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.616 4.453 0.247 1.00 15.00 H new ATOM 322 N ASN A 385 -1.250 2.952 3.593 1.00 15.00 N ATOM 323 CA ASN A 385 -2.120 3.744 4.455 1.00 15.00 C ATOM 324 C ASN A 385 -1.343 4.839 5.176 1.00 15.00 C ATOM 325 O ASN A 385 -0.388 4.558 5.894 1.00 15.00 O ATOM 326 CB ASN A 385 -2.805 2.841 5.481 1.00 15.00 C ATOM 327 CG ASN A 385 -3.727 3.606 6.415 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.232 4.676 6.077 1.00 15.00 O ATOM 329 ND2 ASN A 385 -3.960 3.056 7.596 1.00 15.00 N ATOM 0 H ASN A 385 -0.522 2.437 4.088 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.871 4.218 3.824 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.378 2.075 4.959 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.046 2.325 6.069 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -4.577 3.521 8.262 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -3.523 2.167 7.840 1.00 15.00 H new ATOM 336 N HIS A 386 -1.777 6.084 4.994 1.00 15.00 N ATOM 337 CA HIS A 386 -1.146 7.233 5.646 1.00 15.00 C ATOM 338 C HIS A 386 -1.559 7.342 7.110 1.00 15.00 C ATOM 339 O HIS A 386 -0.935 8.073 7.881 1.00 15.00 O ATOM 340 CB HIS A 386 -1.517 8.548 4.948 1.00 15.00 C ATOM 341 CG HIS A 386 -0.883 8.761 3.609 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.272 9.494 3.432 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.279 8.382 2.372 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.557 9.558 2.145 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.370 8.893 1.482 1.00 15.00 N ATOM 0 H HIS A 386 -2.568 6.325 4.397 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.071 7.069 5.578 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.600 8.584 4.829 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.240 9.377 5.599 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.148 7.788 2.131 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.404 10.067 1.709 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.405 8.778 0.469 1.00 15.00 H new ATOM 354 N ASN A 387 -2.631 6.647 7.482 1.00 15.00 N ATOM 355 CA ASN A 387 -3.171 6.748 8.839 1.00 15.00 C ATOM 356 C ASN A 387 -2.196 6.168 9.863 1.00 15.00 C ATOM 357 O ASN A 387 -1.689 6.881 10.728 1.00 15.00 O ATOM 358 CB ASN A 387 -4.528 6.042 8.947 1.00 15.00 C ATOM 359 CG ASN A 387 -5.155 6.182 10.324 1.00 15.00 C ATOM 360 OD1 ASN A 387 -4.960 7.187 11.012 1.00 15.00 O ATOM 361 ND2 ASN A 387 -5.912 5.176 10.735 1.00 15.00 N ATOM 0 H ASN A 387 -3.141 6.011 6.869 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.313 7.807 9.056 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -5.207 6.453 8.200 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -4.402 4.984 8.716 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -6.359 5.215 11.651 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -6.048 4.362 10.135 1.00 15.00 H new ATOM 368 N ASN A 388 -1.929 4.874 9.752 1.00 15.00 N ATOM 369 CA ASN A 388 -1.003 4.204 10.662 1.00 15.00 C ATOM 370 C ASN A 388 0.385 4.093 10.040 1.00 15.00 C ATOM 371 O ASN A 388 1.360 3.796 10.730 1.00 15.00 O ATOM 372 CB ASN A 388 -1.526 2.816 11.065 1.00 15.00 C ATOM 373 CG ASN A 388 -1.954 1.966 9.881 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.462 2.132 8.765 1.00 15.00 O ATOM 375 ND2 ASN A 388 -2.891 1.060 10.111 1.00 15.00 N ATOM 0 H ASN A 388 -2.338 4.266 9.043 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.928 4.811 11.564 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -0.749 2.290 11.619 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -2.372 2.937 11.741 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -3.229 0.471 9.350 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -3.275 0.951 11.049 1.00 15.00 H new ATOM 382 N ARG A 389 0.448 4.324 8.731 1.00 15.00 N ATOM 383 CA ARG A 389 1.688 4.239 7.958 1.00 15.00 C ATOM 384 C ARG A 389 2.150 2.793 7.825 1.00 15.00 C ATOM 385 O ARG A 389 3.161 2.384 8.398 1.00 15.00 O ATOM 386 CB ARG A 389 2.797 5.118 8.547 1.00 15.00 C ATOM 387 CG ARG A 389 2.451 6.597 8.558 1.00 15.00 C ATOM 388 CD ARG A 389 3.559 7.423 9.183 1.00 15.00 C ATOM 389 NE ARG A 389 3.192 8.834 9.294 1.00 15.00 N ATOM 390 CZ ARG A 389 3.505 9.605 10.334 1.00 15.00 C ATOM 391 NH1 ARG A 389 4.205 9.109 11.352 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 3.114 10.875 10.356 1.00 15.00 N ATOM 0 H ARG A 389 -0.366 4.578 8.171 1.00 15.00 H new ATOM 0 HA ARG A 389 1.471 4.623 6.961 1.00 15.00 H new ATOM 0 HB2 ARG A 389 3.005 4.793 9.566 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.711 4.970 7.972 1.00 15.00 H new ATOM 0 HG2 ARG A 389 2.273 6.938 7.538 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.525 6.751 9.112 1.00 15.00 H new ATOM 0 HD2 ARG A 389 3.791 7.029 10.173 1.00 15.00 H new ATOM 0 HD3 ARG A 389 4.464 7.330 8.583 1.00 15.00 H new ATOM 0 HE ARG A 389 2.664 9.253 8.528 1.00 15.00 H new ATOM 0 HH11 ARG A 389 4.504 8.134 11.338 1.00 15.00 H new ATOM 0 HH12 ARG A 389 4.442 9.704 12.146 1.00 15.00 H new ATOM 0 HH21 ARG A 389 2.576 11.256 9.578 1.00 15.00 H new ATOM 0 HH22 ARG A 389 3.352 11.468 11.151 1.00 15.00 H new ATOM 406 N THR A 390 1.364 2.019 7.095 1.00 15.00 N ATOM 407 CA THR A 390 1.687 0.636 6.803 1.00 15.00 C ATOM 408 C THR A 390 1.094 0.255 5.451 1.00 15.00 C ATOM 409 O THR A 390 0.096 0.836 5.016 1.00 15.00 O ATOM 410 CB THR A 390 1.184 -0.338 7.897 1.00 15.00 C ATOM 411 OG1 THR A 390 1.816 -1.616 7.740 1.00 15.00 O ATOM 412 CG2 THR A 390 -0.325 -0.522 7.837 1.00 15.00 C ATOM 0 H THR A 390 0.483 2.334 6.689 1.00 15.00 H new ATOM 0 HA THR A 390 2.773 0.549 6.779 1.00 15.00 H new ATOM 0 HB THR A 390 1.440 0.095 8.864 1.00 15.00 H new ATOM 0 HG1 THR A 390 1.495 -2.227 8.436 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.639 -1.212 8.620 1.00 15.00 H new ATOM 0 HG22 THR A 390 -0.815 0.441 7.984 1.00 15.00 H new ATOM 0 HG23 THR A 390 -0.604 -0.926 6.864 1.00 15.00 H new ATOM 420 N THR A 391 1.739 -0.667 4.765 1.00 15.00 N ATOM 421 CA THR A 391 1.269 -1.111 3.469 1.00 15.00 C ATOM 422 C THR A 391 1.103 -2.629 3.454 1.00 15.00 C ATOM 423 O THR A 391 1.880 -3.355 4.077 1.00 15.00 O ATOM 424 CB THR A 391 2.216 -0.638 2.347 1.00 15.00 C ATOM 425 OG1 THR A 391 1.878 -1.265 1.102 1.00 15.00 O ATOM 426 CG2 THR A 391 3.668 -0.916 2.700 1.00 15.00 C ATOM 0 H THR A 391 2.593 -1.124 5.085 1.00 15.00 H new ATOM 0 HA THR A 391 0.293 -0.663 3.284 1.00 15.00 H new ATOM 0 HB THR A 391 2.093 0.440 2.240 1.00 15.00 H new ATOM 0 HG1 THR A 391 0.905 -1.258 0.986 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.312 -0.572 1.890 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.927 -0.389 3.618 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.809 -1.987 2.845 1.00 15.00 H new ATOM 434 N THR A 392 0.077 -3.099 2.760 1.00 15.00 N ATOM 435 CA THR A 392 -0.278 -4.509 2.764 1.00 15.00 C ATOM 436 C THR A 392 -0.724 -4.973 1.375 1.00 15.00 C ATOM 437 O THR A 392 -1.220 -4.175 0.576 1.00 15.00 O ATOM 438 CB THR A 392 -1.394 -4.796 3.793 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.682 -6.198 3.838 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.665 -4.024 3.463 1.00 15.00 C ATOM 0 H THR A 392 -0.529 -2.517 2.182 1.00 15.00 H new ATOM 0 HA THR A 392 0.615 -5.067 3.047 1.00 15.00 H new ATOM 0 HB THR A 392 -1.035 -4.468 4.768 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.390 -6.366 4.495 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.430 -4.248 4.206 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.454 -2.955 3.471 1.00 15.00 H new ATOM 0 HG23 THR A 392 -3.022 -4.316 2.475 1.00 15.00 H new ATOM 448 N TRP A 393 -0.492 -6.251 1.074 1.00 15.00 N ATOM 449 CA TRP A 393 -0.977 -6.846 -0.169 1.00 15.00 C ATOM 450 C TRP A 393 -2.468 -7.170 -0.045 1.00 15.00 C ATOM 451 O TRP A 393 -3.137 -7.479 -1.032 1.00 15.00 O ATOM 452 CB TRP A 393 -0.215 -8.140 -0.503 1.00 15.00 C ATOM 453 CG TRP A 393 1.279 -8.002 -0.549 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.186 -8.709 0.190 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.043 -7.110 -1.373 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.461 -8.319 -0.132 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.400 -7.335 -1.078 1.00 15.00 C ATOM 458 CE3 TRP A 393 1.715 -6.146 -2.328 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.424 -6.632 -1.700 1.00 15.00 C ATOM 460 CZ3 TRP A 393 2.736 -5.445 -2.944 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.076 -5.691 -2.627 1.00 15.00 C ATOM 0 H TRP A 393 0.028 -6.892 1.673 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.813 -6.124 -0.969 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.472 -8.897 0.238 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.561 -8.509 -1.469 1.00 15.00 H new ATOM 0 HD1 TRP A 393 1.935 -9.464 0.920 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.317 -8.702 0.270 1.00 15.00 H new ATOM 0 HE3 TRP A 393 0.683 -5.951 -2.581 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.459 -6.823 -1.459 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 2.494 -4.695 -3.682 1.00 15.00 H new ATOM 0 HH2 TRP A 393 4.850 -5.126 -3.125 1.00 15.00 H new ATOM 472 N THR A 394 -2.970 -7.118 1.183 1.00 15.00 N ATOM 473 CA THR A 394 -4.344 -7.495 1.476 1.00 15.00 C ATOM 474 C THR A 394 -5.312 -6.343 1.187 1.00 15.00 C ATOM 475 O THR A 394 -4.995 -5.179 1.431 1.00 15.00 O ATOM 476 CB THR A 394 -4.461 -7.930 2.952 1.00 15.00 C ATOM 477 OG1 THR A 394 -3.510 -8.975 3.218 1.00 15.00 O ATOM 478 CG2 THR A 394 -5.860 -8.425 3.282 1.00 15.00 C ATOM 0 H THR A 394 -2.438 -6.815 1.999 1.00 15.00 H new ATOM 0 HA THR A 394 -4.615 -8.329 0.828 1.00 15.00 H new ATOM 0 HB THR A 394 -4.255 -7.061 3.577 1.00 15.00 H new ATOM 0 HG1 THR A 394 -3.582 -9.252 4.155 1.00 15.00 H new ATOM 0 HG21 THR A 394 -5.903 -8.722 4.330 1.00 15.00 H new ATOM 0 HG22 THR A 394 -6.580 -7.627 3.101 1.00 15.00 H new ATOM 0 HG23 THR A 394 -6.101 -9.281 2.652 1.00 15.00 H new ATOM 486 N ARG A 395 -6.482 -6.676 0.652 1.00 15.00 N ATOM 487 CA ARG A 395 -7.498 -5.681 0.345 1.00 15.00 C ATOM 488 C ARG A 395 -8.290 -5.311 1.595 1.00 15.00 C ATOM 489 O ARG A 395 -8.940 -6.165 2.203 1.00 15.00 O ATOM 490 CB ARG A 395 -8.461 -6.197 -0.732 1.00 15.00 C ATOM 491 CG ARG A 395 -9.559 -5.202 -1.080 1.00 15.00 C ATOM 492 CD ARG A 395 -8.992 -3.985 -1.790 1.00 15.00 C ATOM 493 NE ARG A 395 -9.634 -2.737 -1.378 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.500 -1.592 -2.049 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.962 -1.591 -3.264 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -9.955 -0.457 -1.538 1.00 15.00 N ATOM 0 H ARG A 395 -6.749 -7.633 0.422 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.987 -4.794 -0.030 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.895 -6.434 -1.633 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.917 -7.126 -0.388 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.302 -5.684 -1.716 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -10.072 -4.890 -0.170 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.922 -3.920 -1.592 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -9.110 -4.111 -2.866 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.212 -2.743 -0.537 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.651 -2.467 -3.685 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.860 -0.715 -3.776 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.411 -0.455 -0.626 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -9.849 0.415 -2.057 1.00 15.00 H new ATOM 510 N PRO A 396 -8.237 -4.036 1.998 1.00 15.00 N ATOM 511 CA PRO A 396 -9.054 -3.530 3.095 1.00 15.00 C ATOM 512 C PRO A 396 -10.494 -3.287 2.651 1.00 15.00 C ATOM 513 O PRO A 396 -10.741 -2.632 1.635 1.00 15.00 O ATOM 514 CB PRO A 396 -8.369 -2.216 3.471 1.00 15.00 C ATOM 515 CG PRO A 396 -7.710 -1.754 2.218 1.00 15.00 C ATOM 516 CD PRO A 396 -7.364 -2.991 1.428 1.00 15.00 C ATOM 0 HA PRO A 396 -9.122 -4.231 3.927 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -9.091 -1.483 3.831 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -7.641 -2.364 4.269 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -8.374 -1.104 1.648 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.814 -1.175 2.443 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.553 -2.850 0.364 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -6.310 -3.250 1.533 1.00 15.00 H new ATOM 588 N GLU B 205 4.594 -11.994 -2.972 1.00 15.00 N ATOM 589 CA GLU B 205 5.591 -10.944 -3.080 1.00 15.00 C ATOM 590 C GLU B 205 6.303 -10.729 -1.755 1.00 15.00 C ATOM 591 O GLU B 205 5.762 -11.038 -0.691 1.00 15.00 O ATOM 592 CB GLU B 205 4.904 -9.645 -3.506 1.00 15.00 C ATOM 593 CG GLU B 205 4.564 -9.585 -4.984 1.00 15.00 C ATOM 594 CD GLU B 205 5.759 -9.207 -5.830 1.00 15.00 C ATOM 595 OE1 GLU B 205 6.672 -10.041 -5.989 1.00 15.00 O1- ATOM 596 OE2 GLU B 205 5.803 -8.059 -6.313 1.00 15.00 O ATOM 0 HA GLU B 205 6.332 -11.241 -3.822 1.00 15.00 H new ATOM 0 HB2 GLU B 205 3.988 -9.523 -2.927 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.552 -8.804 -3.258 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.184 -10.554 -5.307 1.00 15.00 H new ATOM 0 HG3 GLU B 205 3.765 -8.860 -5.142 1.00 15.00 H new ATOM 603 N SER B 206 7.513 -10.194 -1.827 1.00 15.00 N ATOM 604 CA SER B 206 8.236 -9.774 -0.641 1.00 15.00 C ATOM 605 C SER B 206 7.398 -8.757 0.130 1.00 15.00 C ATOM 606 O SER B 206 6.819 -7.854 -0.478 1.00 15.00 O ATOM 607 CB SER B 206 9.578 -9.166 -1.052 1.00 15.00 C ATOM 608 OG SER B 206 9.413 -8.241 -2.117 1.00 15.00 O ATOM 0 H SER B 206 8.015 -10.041 -2.701 1.00 15.00 H new ATOM 0 HA SER B 206 8.424 -10.633 0.003 1.00 15.00 H new ATOM 0 HB2 SER B 206 10.031 -8.664 -0.197 1.00 15.00 H new ATOM 0 HB3 SER B 206 10.262 -9.958 -1.356 1.00 15.00 H new ATOM 0 HG SER B 206 10.284 -7.864 -2.361 1.00 15.00 H new ATOM 614 N PRO B 207 7.322 -8.884 1.470 1.00 15.00 N ATOM 615 CA PRO B 207 6.485 -8.012 2.305 1.00 15.00 C ATOM 616 C PRO B 207 6.690 -6.532 1.984 1.00 15.00 C ATOM 617 O PRO B 207 7.831 -6.071 1.900 1.00 15.00 O ATOM 618 CB PRO B 207 6.970 -8.324 3.718 1.00 15.00 C ATOM 619 CG PRO B 207 7.420 -9.736 3.640 1.00 15.00 C ATOM 620 CD PRO B 207 8.024 -9.901 2.275 1.00 15.00 C ATOM 0 HA PRO B 207 5.421 -8.190 2.151 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.783 -7.662 4.016 1.00 15.00 H new ATOM 0 HB3 PRO B 207 6.172 -8.199 4.450 1.00 15.00 H new ATOM 0 HG2 PRO B 207 8.149 -9.957 4.419 1.00 15.00 H new ATOM 0 HG3 PRO B 207 6.584 -10.421 3.783 1.00 15.00 H new ATOM 0 HD2 PRO B 207 9.101 -9.731 2.288 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.864 -10.905 1.883 1.00 15.00 H new ATOM 628 N PRO B 208 5.586 -5.767 1.822 1.00 15.00 N ATOM 629 CA PRO B 208 5.631 -4.395 1.295 1.00 15.00 C ATOM 630 C PRO B 208 6.674 -3.507 1.958 1.00 15.00 C ATOM 631 O PRO B 208 6.866 -3.543 3.178 1.00 15.00 O ATOM 632 CB PRO B 208 4.235 -3.865 1.583 1.00 15.00 C ATOM 633 CG PRO B 208 3.378 -5.063 1.538 1.00 15.00 C ATOM 634 CD PRO B 208 4.197 -6.160 2.154 1.00 15.00 C ATOM 0 HA PRO B 208 5.913 -4.394 0.242 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.187 -3.377 2.557 1.00 15.00 H new ATOM 0 HB3 PRO B 208 3.928 -3.127 0.841 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.452 -4.905 2.091 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.099 -5.309 0.513 1.00 15.00 H new ATOM 0 HD2 PRO B 208 4.042 -6.223 3.231 1.00 15.00 H new ATOM 0 HD3 PRO B 208 3.943 -7.135 1.738 1.00 15.00 H new ATOM 642 N PRO B 209 7.334 -2.685 1.134 1.00 15.00 N ATOM 643 CA PRO B 209 8.388 -1.758 1.565 1.00 15.00 C ATOM 644 C PRO B 209 7.931 -0.846 2.706 1.00 15.00 C ATOM 645 O PRO B 209 6.810 -0.338 2.682 1.00 15.00 O ATOM 646 CB PRO B 209 8.656 -0.941 0.294 1.00 15.00 C ATOM 647 CG PRO B 209 8.281 -1.857 -0.815 1.00 15.00 C ATOM 648 CD PRO B 209 7.083 -2.592 -0.317 1.00 15.00 C ATOM 0 HA PRO B 209 9.264 -2.275 1.957 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.061 -0.028 0.275 1.00 15.00 H new ATOM 0 HB3 PRO B 209 9.702 -0.641 0.226 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.054 -1.303 -1.726 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.094 -2.542 -1.053 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.160 -2.054 -0.534 1.00 15.00 H new ATOM 0 HD3 PRO B 209 6.993 -3.577 -0.776 1.00 15.00 H new ATOM 656 N PRO B 210 8.800 -0.632 3.716 1.00 15.00 N ATOM 657 CA PRO B 210 8.487 0.207 4.880 1.00 15.00 C ATOM 658 C PRO B 210 7.904 1.561 4.488 1.00 15.00 C ATOM 659 O PRO B 210 8.530 2.342 3.764 1.00 15.00 O ATOM 660 CB PRO B 210 9.843 0.384 5.560 1.00 15.00 C ATOM 661 CG PRO B 210 10.604 -0.841 5.195 1.00 15.00 C ATOM 662 CD PRO B 210 10.158 -1.208 3.807 1.00 15.00 C ATOM 0 HA PRO B 210 7.729 -0.249 5.517 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.348 1.284 5.210 1.00 15.00 H new ATOM 0 HB3 PRO B 210 9.736 0.478 6.641 1.00 15.00 H new ATOM 0 HG2 PRO B 210 11.678 -0.656 5.224 1.00 15.00 H new ATOM 0 HG3 PRO B 210 10.401 -1.650 5.897 1.00 15.00 H new ATOM 0 HD2 PRO B 210 10.822 -0.792 3.049 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.146 -2.288 3.662 1.00 15.00 H new ATOM 670 N TYR B 211 6.703 1.832 4.977 1.00 15.00 N ATOM 671 CA TYR B 211 5.965 3.014 4.582 1.00 15.00 C ATOM 672 C TYR B 211 6.166 4.146 5.580 1.00 15.00 C ATOM 673 O TYR B 211 5.871 4.000 6.768 1.00 15.00 O ATOM 674 CB TYR B 211 4.482 2.677 4.459 1.00 15.00 C ATOM 675 CG TYR B 211 3.668 3.746 3.774 1.00 15.00 C ATOM 676 CD1 TYR B 211 3.884 4.052 2.438 1.00 15.00 C ATOM 677 CD2 TYR B 211 2.677 4.439 4.454 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.133 5.015 1.800 1.00 15.00 C ATOM 679 CE2 TYR B 211 1.923 5.406 3.823 1.00 15.00 C ATOM 680 CZ TYR B 211 2.155 5.689 2.495 1.00 15.00 C ATOM 681 OH TYR B 211 1.399 6.637 1.856 1.00 15.00 O ATOM 0 H TYR B 211 6.219 1.242 5.653 1.00 15.00 H new ATOM 0 HA TYR B 211 6.342 3.349 3.615 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.376 1.743 3.907 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.074 2.506 5.455 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.653 3.527 1.890 1.00 15.00 H new ATOM 0 HD2 TYR B 211 2.493 4.217 5.495 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.311 5.240 0.759 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.156 5.938 4.366 1.00 15.00 H new ATOM 0 HH TYR B 211 0.454 6.380 1.890 1.00 15.00 H new ATOM 691 N SER B 212 6.670 5.266 5.087 1.00 15.00 N ATOM 692 CA SER B 212 6.903 6.432 5.919 1.00 15.00 C ATOM 693 C SER B 212 6.002 7.592 5.500 1.00 15.00 C ATOM 694 O SER B 212 5.018 7.902 6.172 1.00 15.00 O ATOM 695 CB SER B 212 8.376 6.834 5.827 1.00 15.00 C ATOM 696 OG SER B 212 8.811 6.868 4.475 1.00 15.00 O ATOM 0 H SER B 212 6.927 5.391 4.108 1.00 15.00 H new ATOM 0 HA SER B 212 6.661 6.183 6.952 1.00 15.00 H new ATOM 0 HB2 SER B 212 8.518 7.814 6.283 1.00 15.00 H new ATOM 0 HB3 SER B 212 8.985 6.128 6.391 1.00 15.00 H new ATOM 0 HG SER B 212 9.028 7.790 4.224 1.00 15.00 H new ATOM 702 N ARG B 213 6.326 8.213 4.373 1.00 15.00 N ATOM 703 CA ARG B 213 5.572 9.358 3.885 1.00 15.00 C ATOM 704 C ARG B 213 4.839 9.015 2.595 1.00 15.00 C ATOM 705 O ARG B 213 3.615 8.913 2.573 1.00 15.00 O ATOM 706 CB ARG B 213 6.510 10.546 3.662 1.00 15.00 C ATOM 707 CG ARG B 213 7.001 11.180 4.951 1.00 15.00 C ATOM 708 CD ARG B 213 8.124 12.174 4.702 1.00 15.00 C ATOM 709 NE ARG B 213 7.767 13.202 3.719 1.00 15.00 N ATOM 710 CZ ARG B 213 7.314 14.417 4.040 1.00 15.00 C ATOM 711 NH1 ARG B 213 7.052 14.720 5.302 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 7.110 15.324 3.093 1.00 15.00 N ATOM 0 H ARG B 213 7.109 7.941 3.779 1.00 15.00 H new ATOM 0 HA ARG B 213 4.830 9.627 4.636 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.369 10.216 3.078 1.00 15.00 H new ATOM 0 HB3 ARG B 213 5.993 11.301 3.069 1.00 15.00 H new ATOM 0 HG2 ARG B 213 6.172 11.686 5.446 1.00 15.00 H new ATOM 0 HG3 ARG B 213 7.349 10.401 5.629 1.00 15.00 H new ATOM 0 HD2 ARG B 213 8.392 12.655 5.643 1.00 15.00 H new ATOM 0 HD3 ARG B 213 9.007 11.638 4.355 1.00 15.00 H new ATOM 0 HE ARG B 213 7.871 12.975 2.730 1.00 15.00 H new ATOM 0 HH11 ARG B 213 7.196 14.024 6.034 1.00 15.00 H new ATOM 0 HH12 ARG B 213 6.706 15.649 5.542 1.00 15.00 H new ATOM 0 HH21 ARG B 213 7.299 15.094 2.117 1.00 15.00 H new ATOM 0 HH22 ARG B 213 6.764 16.251 3.341 1.00 15.00 H new ATOM 726 N TYR B 214 5.598 8.814 1.529 1.00 15.00 N ATOM 727 CA TYR B 214 5.028 8.496 0.228 1.00 15.00 C ATOM 728 C TYR B 214 5.343 7.058 -0.149 1.00 15.00 C ATOM 729 O TYR B 214 6.380 6.520 0.243 1.00 15.00 O ATOM 730 CB TYR B 214 5.581 9.442 -0.839 1.00 15.00 C ATOM 731 CG TYR B 214 4.959 10.819 -0.831 1.00 15.00 C ATOM 732 CD1 TYR B 214 5.360 11.782 0.084 1.00 15.00 C ATOM 733 CD2 TYR B 214 3.979 11.159 -1.755 1.00 15.00 C ATOM 734 CE1 TYR B 214 4.801 13.046 0.077 1.00 15.00 C ATOM 735 CE2 TYR B 214 3.421 12.420 -1.772 1.00 15.00 C ATOM 736 CZ TYR B 214 3.834 13.359 -0.856 1.00 15.00 C ATOM 737 OH TYR B 214 3.290 14.623 -0.881 1.00 15.00 O ATOM 0 H TYR B 214 6.617 8.866 1.539 1.00 15.00 H new ATOM 0 HA TYR B 214 3.947 8.619 0.286 1.00 15.00 H new ATOM 0 HB2 TYR B 214 6.657 9.541 -0.697 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.429 8.993 -1.820 1.00 15.00 H new ATOM 0 HD1 TYR B 214 6.120 11.540 0.812 1.00 15.00 H new ATOM 0 HD2 TYR B 214 3.648 10.423 -2.473 1.00 15.00 H new ATOM 0 HE1 TYR B 214 5.119 13.785 0.798 1.00 15.00 H new ATOM 0 HE2 TYR B 214 2.664 12.669 -2.501 1.00 15.00 H new ATOM 0 HH TYR B 214 2.625 14.679 -1.598 1.00 15.00 H new ATOM 747 N PRO B 215 4.463 6.420 -0.938 1.00 15.00 N ATOM 748 CA PRO B 215 4.687 5.057 -1.410 1.00 15.00 C ATOM 749 C PRO B 215 5.820 4.999 -2.426 1.00 15.00 C ATOM 750 O PRO B 215 5.747 5.613 -3.494 1.00 15.00 O ATOM 751 CB PRO B 215 3.356 4.675 -2.062 1.00 15.00 C ATOM 752 CG PRO B 215 2.728 5.971 -2.441 1.00 15.00 C ATOM 753 CD PRO B 215 3.181 6.972 -1.414 1.00 15.00 C ATOM 0 HA PRO B 215 4.979 4.382 -0.606 1.00 15.00 H new ATOM 0 HB2 PRO B 215 3.511 4.041 -2.935 1.00 15.00 H new ATOM 0 HB3 PRO B 215 2.724 4.117 -1.371 1.00 15.00 H new ATOM 0 HG2 PRO B 215 3.035 6.274 -3.442 1.00 15.00 H new ATOM 0 HG3 PRO B 215 1.641 5.889 -2.452 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.307 7.964 -1.848 1.00 15.00 H new ATOM 0 HD3 PRO B 215 2.460 7.069 -0.603 1.00 15.00 H new ATOM 761 N MET B 216 6.875 4.282 -2.077 1.00 15.00 N ATOM 762 CA MET B 216 8.053 4.190 -2.924 1.00 15.00 C ATOM 763 C MET B 216 8.577 2.755 -2.958 1.00 15.00 C ATOM 764 O MET B 216 8.890 2.177 -1.918 1.00 15.00 O ATOM 765 CB MET B 216 9.141 5.154 -2.429 1.00 15.00 C ATOM 766 CG MET B 216 9.454 5.037 -0.945 1.00 15.00 C ATOM 767 SD MET B 216 10.731 6.197 -0.410 1.00 15.00 S ATOM 768 CE MET B 216 10.685 5.950 1.364 1.00 15.00 C ATOM 0 H MET B 216 6.940 3.752 -1.208 1.00 15.00 H new ATOM 0 HA MET B 216 7.776 4.475 -3.939 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.054 4.974 -2.996 1.00 15.00 H new ATOM 0 HB3 MET B 216 8.829 6.176 -2.643 1.00 15.00 H new ATOM 0 HG2 MET B 216 8.545 5.214 -0.371 1.00 15.00 H new ATOM 0 HG3 MET B 216 9.777 4.020 -0.725 1.00 15.00 H new ATOM 0 HE1 MET B 216 11.420 6.598 1.841 1.00 15.00 H new ATOM 0 HE2 MET B 216 9.691 6.191 1.739 1.00 15.00 H new ATOM 0 HE3 MET B 216 10.916 4.910 1.593 1.00 15.00 H new ATOM 778 N ASP B 217 8.658 2.184 -4.153 1.00 15.00 N ATOM 779 CA ASP B 217 9.112 0.811 -4.324 1.00 15.00 C ATOM 780 C ASP B 217 10.371 0.779 -5.182 1.00 15.00 C ATOM 781 O ASP B 217 11.437 0.387 -4.665 1.00 15.00 O ATOM 782 CB ASP B 217 8.006 -0.034 -4.965 1.00 15.00 C ATOM 783 CG ASP B 217 8.437 -1.464 -5.221 1.00 15.00 C ATOM 784 OD1 ASP B 217 8.608 -2.223 -4.249 1.00 15.00 O ATOM 785 OD2 ASP B 217 8.595 -1.841 -6.401 1.00 15.00 O1- ATOM 786 OXT ASP B 217 10.296 1.201 -6.359 1.00 15.00 O ATOM 0 H ASP B 217 8.413 2.655 -5.024 1.00 15.00 H new ATOM 0 HA ASP B 217 9.347 0.392 -3.346 1.00 15.00 H new ATOM 0 HB2 ASP B 217 7.131 -0.033 -4.315 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.704 0.424 -5.907 1.00 15.00 H new