USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 719 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 459 HIS : no HE2:sc= -0.577 X(o=-0.46,f=-0.7) USER MOD Set 1.2: A 491 THR OG1 : rot 29:sc= 0.115 USER MOD Set 2.1: A 462 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Set 2.2: A 464 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00475) USER MOD Set 3.1: A 417 ASN : amide:sc= -0.509 K(o=-0.25,f=-1.2) USER MOD Set 3.2: A 420 SER OG : rot 123:sc= 0.262 USER MOD Single : A 373 LYS NZ :NH3+ 169:sc=-0.00852 (180deg=-0.159) USER MOD Single : A 378 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.4) USER MOD Single : A 380 THR OG1 : rot 180:sc= 0 USER MOD Single : A 381 TYR OH : rot 180:sc= 0.649 USER MOD Single : A 382 GLN : amide:sc= -0.322 K(o=-0.32,f=-3.1!) USER MOD Single : A 383 CYS SG : rot -162:sc= 0.116 USER MOD Single : A 386 ASN :FLIP amide:sc= -0.0766 F(o=-0.63,f=-0.077) USER MOD Single : A 387 CYS SG : rot -154:sc= 0.0697 USER MOD Single : A 389 THR OG1 : rot -150:sc= 0.0189 USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD Single : A 404 THR OG1 : rot 26:sc= 0.338 USER MOD Single : A 411 THR OG1 : rot 168:sc= -3.1! USER MOD Single : A 415 THR OG1 : rot -37:sc= 0.129 USER MOD Single : A 422 TYR OH : rot -148:sc= -2.45! USER MOD Single : A 425 THR OG1 : rot 173:sc= 0.563 USER MOD Single : A 428 THR OG1 : rot -40:sc= 0.626 USER MOD Single : A 432 LYS NZ :NH3+ -169:sc=-0.00866 (180deg=-0.144) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 437 GLN : amide:sc=-0.00957 K(o=-0.0096,f=-1.4) USER MOD Single : A 438 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 455 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 461 SER OG : rot 180:sc= -0.0226 USER MOD Single : A 493 THR OG1 : rot 180:sc= 0 USER MOD Single : A 495 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N LYS A 373 -7.865 12.950 5.064 1.00 73.34 N ATOM 29 CA LYS A 373 -7.565 11.627 5.567 1.00 13.34 C ATOM 30 C LYS A 373 -7.204 10.715 4.426 1.00 20.24 C ATOM 31 O LYS A 373 -7.920 10.639 3.432 1.00 32.22 O ATOM 32 CB LYS A 373 -8.719 11.030 6.390 1.00 30.32 C ATOM 33 CG LYS A 373 -8.917 11.654 7.765 1.00 2.22 C ATOM 34 CD LYS A 373 -7.711 11.407 8.659 1.00 53.12 C ATOM 35 CE LYS A 373 -7.934 11.906 10.078 1.00 14.42 C ATOM 36 NZ LYS A 373 -8.974 11.128 10.788 1.00 31.04 N ATOM 0 HA LYS A 373 -6.715 11.722 6.243 1.00 13.34 H new ATOM 0 HB2 LYS A 373 -9.643 11.136 5.822 1.00 30.32 H new ATOM 0 HB3 LYS A 373 -8.542 9.962 6.514 1.00 30.32 H new ATOM 0 HG2 LYS A 373 -9.082 12.726 7.660 1.00 2.22 H new ATOM 0 HG3 LYS A 373 -9.810 11.238 8.231 1.00 2.22 H new ATOM 0 HD2 LYS A 373 -7.491 10.340 8.682 1.00 53.12 H new ATOM 0 HD3 LYS A 373 -6.839 11.904 8.234 1.00 53.12 H new ATOM 0 HE2 LYS A 373 -6.998 11.848 10.633 1.00 14.42 H new ATOM 0 HE3 LYS A 373 -8.224 12.956 10.050 1.00 14.42 H new ATOM 0 HZ1 LYS A 373 -8.963 11.375 11.798 1.00 31.04 H new ATOM 0 HZ2 LYS A 373 -9.908 11.350 10.387 1.00 31.04 H new ATOM 0 HZ3 LYS A 373 -8.783 10.112 10.678 1.00 31.04 H new ATOM 50 N ILE A 374 -6.091 10.061 4.570 1.00 20.55 N ATOM 51 CA ILE A 374 -5.556 9.158 3.572 1.00 60.25 C ATOM 52 C ILE A 374 -5.682 7.732 4.131 1.00 63.30 C ATOM 53 O ILE A 374 -5.153 7.456 5.207 1.00 21.15 O ATOM 54 CB ILE A 374 -4.045 9.473 3.370 1.00 52.14 C ATOM 55 CG1 ILE A 374 -3.789 10.947 2.979 1.00 12.44 C ATOM 56 CG2 ILE A 374 -3.390 8.530 2.377 1.00 50.12 C ATOM 57 CD1 ILE A 374 -4.320 11.370 1.630 1.00 44.10 C ATOM 0 H ILE A 374 -5.508 10.136 5.403 1.00 20.55 H new ATOM 0 HA ILE A 374 -6.088 9.263 2.626 1.00 60.25 H new ATOM 0 HB ILE A 374 -3.578 9.311 4.341 1.00 52.14 H new ATOM 0 HG12 ILE A 374 -4.233 11.588 3.741 1.00 12.44 H new ATOM 0 HG13 ILE A 374 -2.714 11.127 2.998 1.00 12.44 H new ATOM 0 HG21 ILE A 374 -2.337 8.789 2.269 1.00 50.12 H new ATOM 0 HG22 ILE A 374 -3.476 7.505 2.737 1.00 50.12 H new ATOM 0 HG23 ILE A 374 -3.886 8.618 1.410 1.00 50.12 H new ATOM 0 HD11 ILE A 374 -4.085 12.421 1.459 1.00 44.10 H new ATOM 0 HD12 ILE A 374 -3.858 10.764 0.851 1.00 44.10 H new ATOM 0 HD13 ILE A 374 -5.401 11.232 1.605 1.00 44.10 H new ATOM 69 N PHE A 375 -6.410 6.860 3.466 1.00 64.44 N ATOM 70 CA PHE A 375 -6.569 5.481 3.949 1.00 51.30 C ATOM 71 C PHE A 375 -6.921 4.528 2.845 1.00 10.01 C ATOM 72 O PHE A 375 -7.364 4.936 1.811 1.00 2.13 O ATOM 73 CB PHE A 375 -7.626 5.396 5.056 1.00 45.24 C ATOM 74 CG PHE A 375 -8.948 6.034 4.738 1.00 30.51 C ATOM 75 CD1 PHE A 375 -9.946 5.331 4.083 1.00 40.33 C ATOM 76 CD2 PHE A 375 -9.193 7.337 5.116 1.00 2.21 C ATOM 77 CE1 PHE A 375 -11.154 5.922 3.813 1.00 63.51 C ATOM 78 CE2 PHE A 375 -10.395 7.930 4.850 1.00 62.42 C ATOM 79 CZ PHE A 375 -11.376 7.223 4.199 1.00 21.43 C ATOM 0 H PHE A 375 -6.902 7.067 2.596 1.00 64.44 H new ATOM 0 HA PHE A 375 -5.601 5.187 4.355 1.00 51.30 H new ATOM 0 HB2 PHE A 375 -7.797 4.346 5.292 1.00 45.24 H new ATOM 0 HB3 PHE A 375 -7.224 5.863 5.955 1.00 45.24 H new ATOM 0 HD1 PHE A 375 -9.771 4.309 3.782 1.00 40.33 H new ATOM 0 HD2 PHE A 375 -8.425 7.896 5.629 1.00 2.21 H new ATOM 0 HE1 PHE A 375 -11.927 5.369 3.300 1.00 63.51 H new ATOM 0 HE2 PHE A 375 -10.573 8.952 5.151 1.00 62.42 H new ATOM 0 HZ PHE A 375 -12.326 7.691 3.989 1.00 21.43 H new ATOM 89 N PHE A 376 -6.727 3.262 3.077 1.00 0.24 N ATOM 90 CA PHE A 376 -7.079 2.254 2.099 1.00 41.54 C ATOM 91 C PHE A 376 -8.588 2.040 2.086 1.00 14.43 C ATOM 92 O PHE A 376 -9.250 2.145 3.135 1.00 33.22 O ATOM 93 CB PHE A 376 -6.373 0.931 2.388 1.00 50.23 C ATOM 94 CG PHE A 376 -4.881 1.005 2.358 1.00 55.04 C ATOM 95 CD1 PHE A 376 -4.204 1.006 1.155 1.00 62.20 C ATOM 96 CD2 PHE A 376 -4.151 1.066 3.534 1.00 73.20 C ATOM 97 CE1 PHE A 376 -2.832 1.069 1.122 1.00 5.04 C ATOM 98 CE2 PHE A 376 -2.776 1.127 3.507 1.00 33.52 C ATOM 99 CZ PHE A 376 -2.115 1.129 2.298 1.00 2.45 C ATOM 0 H PHE A 376 -6.325 2.894 3.939 1.00 0.24 H new ATOM 0 HA PHE A 376 -6.754 2.609 1.121 1.00 41.54 H new ATOM 0 HB2 PHE A 376 -6.687 0.573 3.369 1.00 50.23 H new ATOM 0 HB3 PHE A 376 -6.702 0.191 1.658 1.00 50.23 H new ATOM 0 HD1 PHE A 376 -4.759 0.957 0.230 1.00 62.20 H new ATOM 0 HD2 PHE A 376 -4.667 1.066 4.483 1.00 73.20 H new ATOM 0 HE1 PHE A 376 -2.315 1.072 0.174 1.00 5.04 H new ATOM 0 HE2 PHE A 376 -2.217 1.173 4.430 1.00 33.52 H new ATOM 0 HZ PHE A 376 -1.036 1.178 2.272 1.00 2.45 H new ATOM 109 N GLU A 377 -9.126 1.769 0.902 1.00 30.22 N ATOM 110 CA GLU A 377 -10.549 1.522 0.726 1.00 5.34 C ATOM 111 C GLU A 377 -10.936 0.245 1.466 1.00 41.13 C ATOM 112 O GLU A 377 -11.955 0.188 2.161 1.00 1.51 O ATOM 113 CB GLU A 377 -10.885 1.375 -0.763 1.00 50.25 C ATOM 114 CG GLU A 377 -12.376 1.400 -1.053 1.00 72.30 C ATOM 115 CD GLU A 377 -12.704 1.142 -2.501 1.00 43.25 C ATOM 116 OE1 GLU A 377 -12.304 1.930 -3.367 1.00 60.24 O ATOM 117 OE2 GLU A 377 -13.379 0.138 -2.797 1.00 12.13 O ATOM 0 H GLU A 377 -8.586 1.715 0.038 1.00 30.22 H new ATOM 0 HA GLU A 377 -11.108 2.366 1.130 1.00 5.34 H new ATOM 0 HB2 GLU A 377 -10.402 2.179 -1.318 1.00 50.25 H new ATOM 0 HB3 GLU A 377 -10.467 0.438 -1.131 1.00 50.25 H new ATOM 0 HG2 GLU A 377 -12.872 0.651 -0.436 1.00 72.30 H new ATOM 0 HG3 GLU A 377 -12.780 2.370 -0.763 1.00 72.30 H new ATOM 124 N GLN A 378 -10.117 -0.762 1.313 1.00 32.15 N ATOM 125 CA GLN A 378 -10.312 -2.027 1.987 1.00 21.22 C ATOM 126 C GLN A 378 -9.317 -2.213 3.089 1.00 51.40 C ATOM 127 O GLN A 378 -8.360 -1.448 3.227 1.00 11.04 O ATOM 128 CB GLN A 378 -10.191 -3.187 1.022 1.00 33.11 C ATOM 129 CG GLN A 378 -11.388 -3.394 0.155 1.00 32.30 C ATOM 130 CD GLN A 378 -12.594 -3.840 0.940 1.00 33.33 C ATOM 131 OE1 GLN A 378 -13.391 -3.029 1.412 1.00 40.04 O ATOM 132 NE2 GLN A 378 -12.723 -5.120 1.106 1.00 2.10 N ATOM 0 H GLN A 378 -9.291 -0.732 0.715 1.00 32.15 H new ATOM 0 HA GLN A 378 -11.318 -2.009 2.407 1.00 21.22 H new ATOM 0 HB2 GLN A 378 -9.320 -3.026 0.386 1.00 33.11 H new ATOM 0 HB3 GLN A 378 -10.007 -4.099 1.590 1.00 33.11 H new ATOM 0 HG2 GLN A 378 -11.620 -2.466 -0.367 1.00 32.30 H new ATOM 0 HG3 GLN A 378 -11.157 -4.139 -0.607 1.00 32.30 H new ATOM 0 HE21 GLN A 378 -12.040 -5.759 0.698 1.00 2.10 H new ATOM 0 HE22 GLN A 378 -13.507 -5.488 1.644 1.00 2.10 H new ATOM 141 N GLY A 379 -9.539 -3.230 3.849 1.00 2.43 N ATOM 142 CA GLY A 379 -8.634 -3.581 4.918 1.00 3.20 C ATOM 143 C GLY A 379 -7.837 -4.792 4.527 1.00 53.02 C ATOM 144 O GLY A 379 -6.730 -5.033 5.012 1.00 73.32 O ATOM 0 H GLY A 379 -10.346 -3.847 3.757 1.00 2.43 H new ATOM 0 HA2 GLY A 379 -7.966 -2.747 5.131 1.00 3.20 H new ATOM 0 HA3 GLY A 379 -9.194 -3.781 5.831 1.00 3.20 H new ATOM 148 N THR A 380 -8.412 -5.563 3.656 1.00 65.44 N ATOM 149 CA THR A 380 -7.804 -6.726 3.121 1.00 54.52 C ATOM 150 C THR A 380 -8.060 -6.733 1.617 1.00 53.44 C ATOM 151 O THR A 380 -9.122 -6.304 1.164 1.00 53.54 O ATOM 152 CB THR A 380 -8.411 -7.986 3.773 1.00 21.24 C ATOM 153 OG1 THR A 380 -8.373 -7.827 5.212 1.00 33.41 O ATOM 154 CG2 THR A 380 -7.633 -9.245 3.399 1.00 43.14 C ATOM 0 H THR A 380 -9.348 -5.388 3.291 1.00 65.44 H new ATOM 0 HA THR A 380 -6.733 -6.725 3.322 1.00 54.52 H new ATOM 0 HB THR A 380 -9.434 -8.098 3.414 1.00 21.24 H new ATOM 0 HG1 THR A 380 -8.758 -8.621 5.639 1.00 33.41 H new ATOM 0 HG21 THR A 380 -8.091 -10.111 3.877 1.00 43.14 H new ATOM 0 HG22 THR A 380 -7.651 -9.376 2.317 1.00 43.14 H new ATOM 0 HG23 THR A 380 -6.601 -9.148 3.735 1.00 43.14 H new ATOM 162 N TYR A 381 -7.070 -7.126 0.872 1.00 23.34 N ATOM 163 CA TYR A 381 -7.150 -7.221 -0.556 1.00 33.15 C ATOM 164 C TYR A 381 -6.674 -8.579 -0.964 1.00 61.45 C ATOM 165 O TYR A 381 -5.688 -9.078 -0.419 1.00 64.21 O ATOM 166 CB TYR A 381 -6.259 -6.176 -1.218 1.00 24.24 C ATOM 167 CG TYR A 381 -6.680 -4.750 -1.005 1.00 43.11 C ATOM 168 CD1 TYR A 381 -6.290 -4.046 0.125 1.00 72.00 C ATOM 169 CD2 TYR A 381 -7.447 -4.104 -1.951 1.00 33.23 C ATOM 170 CE1 TYR A 381 -6.658 -2.731 0.307 1.00 74.43 C ATOM 171 CE2 TYR A 381 -7.818 -2.782 -1.785 1.00 3.44 C ATOM 172 CZ TYR A 381 -7.419 -2.100 -0.652 1.00 70.24 C ATOM 173 OH TYR A 381 -7.776 -0.778 -0.480 1.00 34.14 O ATOM 0 H TYR A 381 -6.162 -7.396 1.249 1.00 23.34 H new ATOM 0 HA TYR A 381 -8.181 -7.053 -0.867 1.00 33.15 H new ATOM 0 HB2 TYR A 381 -5.243 -6.298 -0.843 1.00 24.24 H new ATOM 0 HB3 TYR A 381 -6.229 -6.373 -2.290 1.00 24.24 H new ATOM 0 HD1 TYR A 381 -5.688 -4.537 0.875 1.00 72.00 H new ATOM 0 HD2 TYR A 381 -7.763 -4.638 -2.835 1.00 33.23 H new ATOM 0 HE1 TYR A 381 -6.352 -2.199 1.195 1.00 74.43 H new ATOM 0 HE2 TYR A 381 -8.415 -2.286 -2.536 1.00 3.44 H new ATOM 0 HH TYR A 381 -8.311 -0.481 -1.246 1.00 34.14 H new ATOM 183 N GLN A 382 -7.363 -9.194 -1.868 1.00 3.01 N ATOM 184 CA GLN A 382 -6.950 -10.471 -2.371 1.00 74.31 C ATOM 185 C GLN A 382 -6.804 -10.388 -3.876 1.00 1.20 C ATOM 186 O GLN A 382 -7.668 -9.827 -4.554 1.00 10.33 O ATOM 187 CB GLN A 382 -7.921 -11.610 -1.997 1.00 73.30 C ATOM 188 CG GLN A 382 -8.204 -11.780 -0.502 1.00 51.40 C ATOM 189 CD GLN A 382 -9.330 -10.910 0.021 1.00 22.21 C ATOM 190 OE1 GLN A 382 -9.116 -9.801 0.484 1.00 0.42 O ATOM 191 NE2 GLN A 382 -10.529 -11.410 -0.046 1.00 42.22 N ATOM 0 H GLN A 382 -8.223 -8.832 -2.279 1.00 3.01 H new ATOM 0 HA GLN A 382 -5.995 -10.712 -1.905 1.00 74.31 H new ATOM 0 HB2 GLN A 382 -8.868 -11.438 -2.509 1.00 73.30 H new ATOM 0 HB3 GLN A 382 -7.517 -12.547 -2.380 1.00 73.30 H new ATOM 0 HG2 GLN A 382 -8.446 -12.825 -0.306 1.00 51.40 H new ATOM 0 HG3 GLN A 382 -7.296 -11.553 0.056 1.00 51.40 H new ATOM 0 HE21 GLN A 382 -10.672 -12.340 -0.439 1.00 42.22 H new ATOM 0 HE22 GLN A 382 -11.326 -10.872 0.294 1.00 42.22 H new ATOM 200 N CYS A 383 -5.724 -10.922 -4.387 1.00 12.22 N ATOM 201 CA CYS A 383 -5.445 -10.905 -5.807 1.00 72.35 C ATOM 202 C CYS A 383 -4.659 -12.164 -6.133 1.00 65.11 C ATOM 203 O CYS A 383 -4.153 -12.809 -5.225 1.00 23.44 O ATOM 204 CB CYS A 383 -4.633 -9.643 -6.167 1.00 3.51 C ATOM 205 SG CYS A 383 -4.430 -9.317 -7.941 1.00 23.25 S ATOM 0 H CYS A 383 -5.007 -11.385 -3.829 1.00 12.22 H new ATOM 0 HA CYS A 383 -6.368 -10.881 -6.386 1.00 72.35 H new ATOM 0 HB2 CYS A 383 -5.117 -8.780 -5.711 1.00 3.51 H new ATOM 0 HB3 CYS A 383 -3.644 -9.729 -5.717 1.00 3.51 H new ATOM 0 HG CYS A 383 -3.446 -8.486 -8.120 1.00 23.25 H new ATOM 211 N LEU A 384 -4.560 -12.502 -7.387 1.00 35.24 N ATOM 212 CA LEU A 384 -3.874 -13.713 -7.825 1.00 24.33 C ATOM 213 C LEU A 384 -2.374 -13.516 -7.968 1.00 10.22 C ATOM 214 O LEU A 384 -1.905 -12.454 -8.394 1.00 13.32 O ATOM 215 CB LEU A 384 -4.475 -14.221 -9.150 1.00 72.15 C ATOM 216 CG LEU A 384 -5.497 -15.370 -9.069 1.00 71.03 C ATOM 217 CD1 LEU A 384 -4.792 -16.674 -8.809 1.00 21.43 C ATOM 218 CD2 LEU A 384 -6.529 -15.127 -7.976 1.00 52.03 C ATOM 0 H LEU A 384 -4.951 -11.950 -8.150 1.00 35.24 H new ATOM 0 HA LEU A 384 -4.025 -14.462 -7.048 1.00 24.33 H new ATOM 0 HB2 LEU A 384 -4.954 -13.378 -9.648 1.00 72.15 H new ATOM 0 HB3 LEU A 384 -3.654 -14.544 -9.790 1.00 72.15 H new ATOM 0 HG LEU A 384 -6.016 -15.415 -10.026 1.00 71.03 H new ATOM 0 HD11 LEU A 384 -5.525 -17.479 -8.754 1.00 21.43 H new ATOM 0 HD12 LEU A 384 -4.091 -16.876 -9.619 1.00 21.43 H new ATOM 0 HD13 LEU A 384 -4.249 -16.612 -7.866 1.00 21.43 H new ATOM 0 HD21 LEU A 384 -7.233 -15.959 -7.949 1.00 52.03 H new ATOM 0 HD22 LEU A 384 -6.026 -15.046 -7.012 1.00 52.03 H new ATOM 0 HD23 LEU A 384 -7.068 -14.202 -8.183 1.00 52.03 H new ATOM 230 N GLU A 385 -1.634 -14.555 -7.618 1.00 14.22 N ATOM 231 CA GLU A 385 -0.172 -14.590 -7.732 1.00 10.24 C ATOM 232 C GLU A 385 0.244 -14.394 -9.194 1.00 35.44 C ATOM 233 O GLU A 385 1.209 -13.700 -9.496 1.00 24.42 O ATOM 234 CB GLU A 385 0.334 -15.938 -7.190 1.00 14.12 C ATOM 235 CG GLU A 385 1.833 -16.226 -7.340 1.00 40.51 C ATOM 236 CD GLU A 385 2.120 -17.732 -7.346 1.00 4.34 C ATOM 237 OE1 GLU A 385 1.732 -18.459 -6.407 1.00 61.01 O ATOM 238 OE2 GLU A 385 2.696 -18.236 -8.314 1.00 55.32 O ATOM 0 H GLU A 385 -2.031 -15.415 -7.240 1.00 14.22 H new ATOM 0 HA GLU A 385 0.270 -13.783 -7.148 1.00 10.24 H new ATOM 0 HB2 GLU A 385 0.082 -15.994 -6.131 1.00 14.12 H new ATOM 0 HB3 GLU A 385 -0.217 -16.734 -7.692 1.00 14.12 H new ATOM 0 HG2 GLU A 385 2.199 -15.782 -8.266 1.00 40.51 H new ATOM 0 HG3 GLU A 385 2.378 -15.754 -6.523 1.00 40.51 H new ATOM 245 N ASN A 386 -0.529 -14.954 -10.096 1.00 0.23 N ATOM 246 CA ASN A 386 -0.240 -14.835 -11.520 1.00 40.31 C ATOM 247 C ASN A 386 -0.921 -13.617 -12.153 1.00 62.04 C ATOM 248 O ASN A 386 -0.954 -13.486 -13.377 1.00 23.24 O ATOM 249 CB ASN A 386 -0.603 -16.124 -12.301 1.00 12.05 C ATOM 250 CG ASN A 386 -2.067 -16.539 -12.200 1.00 71.31 C ATOM 251 OD1 ASN A 386 -2.362 -17.447 -11.314 1.00 52.13 O flip ATOM 252 ND2 ASN A 386 -2.918 -16.070 -12.953 1.00 44.14 N flip ATOM 0 H ASN A 386 -1.364 -15.497 -9.876 1.00 0.23 H new ATOM 0 HA ASN A 386 0.838 -14.690 -11.594 1.00 40.31 H new ATOM 0 HB2 ASN A 386 -0.352 -15.979 -13.352 1.00 12.05 H new ATOM 0 HB3 ASN A 386 0.018 -16.941 -11.935 1.00 12.05 H new ATOM 0 HD21 ASN A 386 -2.658 -15.360 -13.637 1.00 44.14 H new ATOM 0 HD22 ASN A 386 -3.884 -16.391 -12.893 1.00 44.14 H new ATOM 259 N CYS A 387 -1.415 -12.696 -11.333 1.00 44.34 N ATOM 260 CA CYS A 387 -2.096 -11.513 -11.861 1.00 12.30 C ATOM 261 C CYS A 387 -1.098 -10.377 -12.151 1.00 43.43 C ATOM 262 O CYS A 387 -1.419 -9.422 -12.866 1.00 44.04 O ATOM 263 CB CYS A 387 -3.206 -11.040 -10.908 1.00 12.20 C ATOM 264 SG CYS A 387 -4.260 -9.704 -11.549 1.00 64.05 S ATOM 0 H CYS A 387 -1.360 -12.741 -10.315 1.00 44.34 H new ATOM 0 HA CYS A 387 -2.562 -11.796 -12.805 1.00 12.30 H new ATOM 0 HB2 CYS A 387 -3.838 -11.893 -10.661 1.00 12.20 H new ATOM 0 HB3 CYS A 387 -2.746 -10.704 -9.979 1.00 12.20 H new ATOM 0 HG CYS A 387 -4.751 -9.024 -10.556 1.00 64.05 H new ATOM 270 N GLY A 388 0.097 -10.477 -11.602 1.00 35.02 N ATOM 271 CA GLY A 388 1.107 -9.473 -11.853 1.00 34.31 C ATOM 272 C GLY A 388 1.261 -8.511 -10.700 1.00 74.33 C ATOM 273 O GLY A 388 2.292 -8.513 -10.012 1.00 22.25 O ATOM 0 H GLY A 388 0.388 -11.236 -10.986 1.00 35.02 H new ATOM 0 HA2 GLY A 388 2.062 -9.962 -12.045 1.00 34.31 H new ATOM 0 HA3 GLY A 388 0.847 -8.917 -12.754 1.00 34.31 H new ATOM 277 N THR A 389 0.262 -7.692 -10.479 1.00 33.42 N ATOM 278 CA THR A 389 0.276 -6.743 -9.390 1.00 65.31 C ATOM 279 C THR A 389 -1.044 -6.742 -8.668 1.00 50.35 C ATOM 280 O THR A 389 -2.060 -7.249 -9.183 1.00 41.43 O ATOM 281 CB THR A 389 0.576 -5.299 -9.883 1.00 23.54 C ATOM 282 OG1 THR A 389 -0.221 -4.980 -11.035 1.00 22.34 O ATOM 283 CG2 THR A 389 2.048 -5.098 -10.186 1.00 32.23 C ATOM 0 H THR A 389 -0.584 -7.664 -11.048 1.00 33.42 H new ATOM 0 HA THR A 389 1.071 -7.055 -8.713 1.00 65.31 H new ATOM 0 HB THR A 389 0.312 -4.620 -9.073 1.00 23.54 H new ATOM 0 HG1 THR A 389 0.262 -4.342 -11.601 1.00 22.34 H new ATOM 0 HG21 THR A 389 2.213 -4.076 -10.527 1.00 32.23 H new ATOM 0 HG22 THR A 389 2.633 -5.278 -9.284 1.00 32.23 H new ATOM 0 HG23 THR A 389 2.358 -5.795 -10.965 1.00 32.23 H new ATOM 291 N VAL A 390 -1.043 -6.225 -7.476 1.00 63.21 N ATOM 292 CA VAL A 390 -2.265 -6.025 -6.776 1.00 14.32 C ATOM 293 C VAL A 390 -2.487 -4.538 -6.649 1.00 71.04 C ATOM 294 O VAL A 390 -1.556 -3.800 -6.310 1.00 42.32 O ATOM 295 CB VAL A 390 -2.308 -6.751 -5.398 1.00 55.11 C ATOM 296 CG1 VAL A 390 -1.139 -6.370 -4.532 1.00 34.22 C ATOM 297 CG2 VAL A 390 -3.628 -6.502 -4.672 1.00 33.52 C ATOM 0 H VAL A 390 -0.205 -5.935 -6.972 1.00 63.21 H new ATOM 0 HA VAL A 390 -3.079 -6.476 -7.343 1.00 14.32 H new ATOM 0 HB VAL A 390 -2.236 -7.820 -5.600 1.00 55.11 H new ATOM 0 HG11 VAL A 390 -1.205 -6.897 -3.580 1.00 34.22 H new ATOM 0 HG12 VAL A 390 -0.210 -6.642 -5.034 1.00 34.22 H new ATOM 0 HG13 VAL A 390 -1.154 -5.295 -4.354 1.00 34.22 H new ATOM 0 HG21 VAL A 390 -3.621 -7.024 -3.715 1.00 33.52 H new ATOM 0 HG22 VAL A 390 -3.753 -5.433 -4.501 1.00 33.52 H new ATOM 0 HG23 VAL A 390 -4.453 -6.871 -5.281 1.00 33.52 H new ATOM 307 N ALA A 391 -3.652 -4.100 -7.026 1.00 15.12 N ATOM 308 CA ALA A 391 -3.998 -2.708 -6.976 1.00 74.22 C ATOM 309 C ALA A 391 -4.821 -2.419 -5.753 1.00 33.32 C ATOM 310 O ALA A 391 -5.873 -3.019 -5.539 1.00 52.13 O ATOM 311 CB ALA A 391 -4.765 -2.321 -8.221 1.00 52.23 C ATOM 0 H ALA A 391 -4.395 -4.702 -7.380 1.00 15.12 H new ATOM 0 HA ALA A 391 -3.081 -2.120 -6.927 1.00 74.22 H new ATOM 0 HB1 ALA A 391 -5.024 -1.263 -8.175 1.00 52.23 H new ATOM 0 HB2 ALA A 391 -4.148 -2.506 -9.100 1.00 52.23 H new ATOM 0 HB3 ALA A 391 -5.677 -2.915 -8.286 1.00 52.23 H new ATOM 317 N LEU A 392 -4.325 -1.547 -4.938 1.00 24.33 N ATOM 318 CA LEU A 392 -5.036 -1.127 -3.771 1.00 53.35 C ATOM 319 C LEU A 392 -5.424 0.308 -3.967 1.00 25.14 C ATOM 320 O LEU A 392 -4.648 1.092 -4.524 1.00 70.04 O ATOM 321 CB LEU A 392 -4.202 -1.249 -2.480 1.00 32.21 C ATOM 322 CG LEU A 392 -3.622 -2.637 -2.105 1.00 4.15 C ATOM 323 CD1 LEU A 392 -2.494 -3.064 -3.025 1.00 62.45 C ATOM 324 CD2 LEU A 392 -3.149 -2.637 -0.674 1.00 22.40 C ATOM 0 H LEU A 392 -3.414 -1.104 -5.061 1.00 24.33 H new ATOM 0 HA LEU A 392 -5.903 -1.777 -3.649 1.00 53.35 H new ATOM 0 HB2 LEU A 392 -3.369 -0.551 -2.556 1.00 32.21 H new ATOM 0 HB3 LEU A 392 -4.824 -0.914 -1.650 1.00 32.21 H new ATOM 0 HG LEU A 392 -4.428 -3.361 -2.224 1.00 4.15 H new ATOM 0 HD11 LEU A 392 -2.124 -4.042 -2.718 1.00 62.45 H new ATOM 0 HD12 LEU A 392 -2.862 -3.120 -4.050 1.00 62.45 H new ATOM 0 HD13 LEU A 392 -1.684 -2.337 -2.970 1.00 62.45 H new ATOM 0 HD21 LEU A 392 -2.744 -3.618 -0.425 1.00 22.40 H new ATOM 0 HD22 LEU A 392 -2.374 -1.882 -0.547 1.00 22.40 H new ATOM 0 HD23 LEU A 392 -3.987 -2.412 -0.014 1.00 22.40 H new ATOM 336 N THR A 393 -6.581 0.651 -3.528 1.00 13.51 N ATOM 337 CA THR A 393 -7.073 1.986 -3.686 1.00 63.13 C ATOM 338 C THR A 393 -7.006 2.724 -2.350 1.00 41.12 C ATOM 339 O THR A 393 -7.444 2.203 -1.312 1.00 21.05 O ATOM 340 CB THR A 393 -8.532 1.982 -4.197 1.00 53.41 C ATOM 341 OG1 THR A 393 -8.652 1.096 -5.333 1.00 54.11 O ATOM 342 CG2 THR A 393 -8.952 3.387 -4.616 1.00 51.13 C ATOM 0 H THR A 393 -7.220 0.018 -3.047 1.00 13.51 H new ATOM 0 HA THR A 393 -6.448 2.494 -4.421 1.00 63.13 H new ATOM 0 HB THR A 393 -9.179 1.638 -3.390 1.00 53.41 H new ATOM 0 HG1 THR A 393 -9.579 1.096 -5.651 1.00 54.11 H new ATOM 0 HG21 THR A 393 -9.982 3.368 -4.973 1.00 51.13 H new ATOM 0 HG22 THR A 393 -8.877 4.059 -3.761 1.00 51.13 H new ATOM 0 HG23 THR A 393 -8.298 3.740 -5.413 1.00 51.13 H new ATOM 350 N ILE A 394 -6.422 3.886 -2.372 1.00 34.14 N ATOM 351 CA ILE A 394 -6.347 4.734 -1.225 1.00 65.11 C ATOM 352 C ILE A 394 -7.376 5.834 -1.383 1.00 64.11 C ATOM 353 O ILE A 394 -7.377 6.563 -2.384 1.00 51.42 O ATOM 354 CB ILE A 394 -4.933 5.341 -1.048 1.00 42.12 C ATOM 355 CG1 ILE A 394 -3.899 4.213 -0.930 1.00 73.44 C ATOM 356 CG2 ILE A 394 -4.888 6.254 0.189 1.00 24.55 C ATOM 357 CD1 ILE A 394 -2.468 4.689 -0.838 1.00 33.13 C ATOM 0 H ILE A 394 -5.978 4.275 -3.203 1.00 34.14 H new ATOM 0 HA ILE A 394 -6.551 4.143 -0.332 1.00 65.11 H new ATOM 0 HB ILE A 394 -4.694 5.948 -1.921 1.00 42.12 H new ATOM 0 HG12 ILE A 394 -4.129 3.616 -0.047 1.00 73.44 H new ATOM 0 HG13 ILE A 394 -3.996 3.555 -1.794 1.00 73.44 H new ATOM 0 HG21 ILE A 394 -3.887 6.671 0.297 1.00 24.55 H new ATOM 0 HG22 ILE A 394 -5.608 7.064 0.070 1.00 24.55 H new ATOM 0 HG23 ILE A 394 -5.138 5.675 1.078 1.00 24.55 H new ATOM 0 HD11 ILE A 394 -1.803 3.829 -0.757 1.00 33.13 H new ATOM 0 HD12 ILE A 394 -2.216 5.260 -1.732 1.00 33.13 H new ATOM 0 HD13 ILE A 394 -2.351 5.322 0.042 1.00 33.13 H new ATOM 369 N ILE A 395 -8.242 5.915 -0.426 1.00 14.32 N ATOM 370 CA ILE A 395 -9.312 6.848 -0.393 1.00 11.41 C ATOM 371 C ILE A 395 -8.868 8.056 0.393 1.00 50.30 C ATOM 372 O ILE A 395 -8.280 7.934 1.482 1.00 62.24 O ATOM 373 CB ILE A 395 -10.572 6.224 0.275 1.00 12.11 C ATOM 374 CG1 ILE A 395 -10.998 4.935 -0.442 1.00 11.34 C ATOM 375 CG2 ILE A 395 -11.733 7.213 0.343 1.00 70.44 C ATOM 376 CD1 ILE A 395 -11.206 5.082 -1.937 1.00 12.43 C ATOM 0 H ILE A 395 -8.218 5.303 0.390 1.00 14.32 H new ATOM 0 HA ILE A 395 -9.574 7.130 -1.413 1.00 11.41 H new ATOM 0 HB ILE A 395 -10.297 5.972 1.299 1.00 12.11 H new ATOM 0 HG12 ILE A 395 -10.241 4.171 -0.267 1.00 11.34 H new ATOM 0 HG13 ILE A 395 -11.924 4.575 0.006 1.00 11.34 H new ATOM 0 HG21 ILE A 395 -12.591 6.735 0.816 1.00 70.44 H new ATOM 0 HG22 ILE A 395 -11.435 8.084 0.927 1.00 70.44 H new ATOM 0 HG23 ILE A 395 -12.003 7.527 -0.665 1.00 70.44 H new ATOM 0 HD11 ILE A 395 -11.505 4.122 -2.359 1.00 12.43 H new ATOM 0 HD12 ILE A 395 -11.986 5.820 -2.125 1.00 12.43 H new ATOM 0 HD13 ILE A 395 -10.277 5.410 -2.403 1.00 12.43 H new ATOM 388 N ARG A 396 -9.112 9.190 -0.159 1.00 70.41 N ATOM 389 CA ARG A 396 -8.756 10.427 0.428 1.00 32.42 C ATOM 390 C ARG A 396 -10.013 11.223 0.756 1.00 33.11 C ATOM 391 O ARG A 396 -10.764 11.643 -0.134 1.00 31.34 O ATOM 392 CB ARG A 396 -7.834 11.149 -0.535 1.00 52.11 C ATOM 393 CG ARG A 396 -7.491 12.576 -0.225 1.00 34.32 C ATOM 394 CD ARG A 396 -6.506 13.049 -1.270 1.00 44.45 C ATOM 395 NE ARG A 396 -6.350 14.503 -1.330 1.00 44.11 N ATOM 396 CZ ARG A 396 -5.696 15.169 -2.304 1.00 61.32 C ATOM 397 NH1 ARG A 396 -5.371 14.546 -3.449 1.00 15.03 N ATOM 398 NH2 ARG A 396 -5.455 16.461 -2.167 1.00 10.40 N ATOM 0 H ARG A 396 -9.580 9.283 -1.061 1.00 70.41 H new ATOM 0 HA ARG A 396 -8.227 10.287 1.371 1.00 32.42 H new ATOM 0 HB2 ARG A 396 -6.903 10.585 -0.597 1.00 52.11 H new ATOM 0 HB3 ARG A 396 -8.291 11.120 -1.524 1.00 52.11 H new ATOM 0 HG2 ARG A 396 -8.387 13.196 -0.236 1.00 34.32 H new ATOM 0 HG3 ARG A 396 -7.059 12.658 0.772 1.00 34.32 H new ATOM 0 HD2 ARG A 396 -5.534 12.598 -1.068 1.00 44.45 H new ATOM 0 HD3 ARG A 396 -6.828 12.688 -2.247 1.00 44.45 H new ATOM 0 HE ARG A 396 -6.767 15.054 -0.579 1.00 44.11 H new ATOM 0 HH11 ARG A 396 -5.619 13.566 -3.584 1.00 15.03 H new ATOM 0 HH12 ARG A 396 -4.877 15.053 -4.183 1.00 15.03 H new ATOM 0 HH21 ARG A 396 -5.763 16.951 -1.327 1.00 10.40 H new ATOM 0 HH22 ARG A 396 -4.961 16.968 -2.901 1.00 10.40 H new ATOM 412 N ARG A 397 -10.261 11.365 2.023 1.00 41.54 N ATOM 413 CA ARG A 397 -11.403 12.099 2.515 1.00 52.21 C ATOM 414 C ARG A 397 -10.953 13.460 2.969 1.00 3.53 C ATOM 415 O ARG A 397 -9.747 13.703 3.095 1.00 62.15 O ATOM 416 CB ARG A 397 -12.100 11.363 3.663 1.00 32.04 C ATOM 417 CG ARG A 397 -12.775 10.061 3.279 1.00 43.21 C ATOM 418 CD ARG A 397 -13.880 10.250 2.251 1.00 31.03 C ATOM 419 NE ARG A 397 -14.634 9.002 2.035 1.00 62.23 N ATOM 420 CZ ARG A 397 -15.542 8.800 1.065 1.00 71.33 C ATOM 421 NH1 ARG A 397 -15.841 9.776 0.214 1.00 12.41 N ATOM 422 NH2 ARG A 397 -16.171 7.636 0.977 1.00 72.01 N ATOM 0 H ARG A 397 -9.673 10.972 2.758 1.00 41.54 H new ATOM 0 HA ARG A 397 -12.126 12.194 1.705 1.00 52.21 H new ATOM 0 HB2 ARG A 397 -11.365 11.157 4.441 1.00 32.04 H new ATOM 0 HB3 ARG A 397 -12.847 12.027 4.098 1.00 32.04 H new ATOM 0 HG2 ARG A 397 -12.028 9.374 2.881 1.00 43.21 H new ATOM 0 HG3 ARG A 397 -13.192 9.596 4.172 1.00 43.21 H new ATOM 0 HD2 ARG A 397 -14.560 11.034 2.585 1.00 31.03 H new ATOM 0 HD3 ARG A 397 -13.448 10.584 1.308 1.00 31.03 H new ATOM 0 HE ARG A 397 -14.452 8.228 2.674 1.00 62.23 H new ATOM 0 HH11 ARG A 397 -15.381 10.683 0.296 1.00 12.41 H new ATOM 0 HH12 ARG A 397 -16.531 9.618 -0.521 1.00 12.41 H new ATOM 0 HH21 ARG A 397 -15.966 6.894 1.646 1.00 72.01 H new ATOM 0 HH22 ARG A 397 -16.860 7.483 0.241 1.00 72.01 H new ATOM 509 N THR A 404 -1.258 18.700 -2.313 1.00 74.22 N ATOM 510 CA THR A 404 -0.543 17.566 -2.726 1.00 4.44 C ATOM 511 C THR A 404 0.071 16.857 -1.535 1.00 45.44 C ATOM 512 O THR A 404 0.980 17.375 -0.869 1.00 63.21 O ATOM 513 CB THR A 404 0.496 17.971 -3.745 1.00 21.43 C ATOM 514 OG1 THR A 404 -0.175 18.743 -4.757 1.00 5.12 O ATOM 515 CG2 THR A 404 1.075 16.754 -4.383 1.00 73.53 C ATOM 0 HA THR A 404 -1.222 16.857 -3.198 1.00 4.44 H new ATOM 0 HB THR A 404 1.294 18.542 -3.269 1.00 21.43 H new ATOM 0 HG1 THR A 404 -0.975 19.159 -4.374 1.00 5.12 H new ATOM 0 HG21 THR A 404 1.824 17.050 -5.118 1.00 73.53 H new ATOM 0 HG22 THR A 404 1.541 16.130 -3.620 1.00 73.53 H new ATOM 0 HG23 THR A 404 0.284 16.191 -4.878 1.00 73.53 H new ATOM 523 N VAL A 405 -0.448 15.684 -1.277 1.00 24.34 N ATOM 524 CA VAL A 405 -0.039 14.874 -0.167 1.00 62.22 C ATOM 525 C VAL A 405 0.825 13.743 -0.686 1.00 43.24 C ATOM 526 O VAL A 405 0.591 13.226 -1.772 1.00 21.04 O ATOM 527 CB VAL A 405 -1.276 14.279 0.586 1.00 11.51 C ATOM 528 CG1 VAL A 405 -0.852 13.458 1.794 1.00 71.14 C ATOM 529 CG2 VAL A 405 -2.244 15.378 1.010 1.00 63.33 C ATOM 0 H VAL A 405 -1.181 15.260 -1.846 1.00 24.34 H new ATOM 0 HA VAL A 405 0.519 15.494 0.535 1.00 62.22 H new ATOM 0 HB VAL A 405 -1.788 13.617 -0.112 1.00 11.51 H new ATOM 0 HG11 VAL A 405 -1.736 13.061 2.292 1.00 71.14 H new ATOM 0 HG12 VAL A 405 -0.217 12.634 1.469 1.00 71.14 H new ATOM 0 HG13 VAL A 405 -0.298 14.091 2.488 1.00 71.14 H new ATOM 0 HG21 VAL A 405 -3.093 14.934 1.530 1.00 63.33 H new ATOM 0 HG22 VAL A 405 -1.734 16.075 1.675 1.00 63.33 H new ATOM 0 HG23 VAL A 405 -2.598 15.911 0.128 1.00 63.33 H new ATOM 539 N PHE A 406 1.811 13.394 0.059 1.00 10.02 N ATOM 540 CA PHE A 406 2.711 12.334 -0.269 1.00 32.24 C ATOM 541 C PHE A 406 2.757 11.368 0.889 1.00 44.41 C ATOM 542 O PHE A 406 3.205 11.715 1.971 1.00 30.12 O ATOM 543 CB PHE A 406 4.118 12.884 -0.533 1.00 22.12 C ATOM 544 CG PHE A 406 4.312 13.611 -1.832 1.00 52.43 C ATOM 545 CD1 PHE A 406 3.845 14.902 -2.015 1.00 51.22 C ATOM 546 CD2 PHE A 406 5.007 13.008 -2.864 1.00 11.31 C ATOM 547 CE1 PHE A 406 4.068 15.561 -3.198 1.00 64.34 C ATOM 548 CE2 PHE A 406 5.223 13.671 -4.052 1.00 33.22 C ATOM 549 CZ PHE A 406 4.753 14.948 -4.218 1.00 4.44 C ATOM 0 H PHE A 406 2.026 13.851 0.945 1.00 10.02 H new ATOM 0 HA PHE A 406 2.363 11.831 -1.171 1.00 32.24 H new ATOM 0 HB2 PHE A 406 4.380 13.560 0.281 1.00 22.12 H new ATOM 0 HB3 PHE A 406 4.823 12.054 -0.496 1.00 22.12 H new ATOM 0 HD1 PHE A 406 3.302 15.393 -1.221 1.00 51.22 H new ATOM 0 HD2 PHE A 406 5.385 12.004 -2.737 1.00 11.31 H new ATOM 0 HE1 PHE A 406 3.702 16.569 -3.328 1.00 64.34 H new ATOM 0 HE2 PHE A 406 5.762 13.185 -4.852 1.00 33.22 H new ATOM 0 HZ PHE A 406 4.921 15.470 -5.148 1.00 4.44 H new ATOM 559 N VAL A 407 2.265 10.193 0.690 1.00 62.34 N ATOM 560 CA VAL A 407 2.299 9.206 1.725 1.00 23.51 C ATOM 561 C VAL A 407 3.200 8.059 1.290 1.00 34.01 C ATOM 562 O VAL A 407 3.044 7.504 0.204 1.00 2.32 O ATOM 563 CB VAL A 407 0.875 8.725 2.141 1.00 50.05 C ATOM 564 CG1 VAL A 407 0.113 8.119 0.977 1.00 31.14 C ATOM 565 CG2 VAL A 407 0.950 7.762 3.313 1.00 73.54 C ATOM 0 H VAL A 407 1.832 9.888 -0.182 1.00 62.34 H new ATOM 0 HA VAL A 407 2.717 9.657 2.625 1.00 23.51 H new ATOM 0 HB VAL A 407 0.316 9.605 2.459 1.00 50.05 H new ATOM 0 HG11 VAL A 407 -0.873 7.799 1.315 1.00 31.14 H new ATOM 0 HG12 VAL A 407 0.002 8.863 0.188 1.00 31.14 H new ATOM 0 HG13 VAL A 407 0.661 7.260 0.591 1.00 31.14 H new ATOM 0 HG21 VAL A 407 -0.055 7.441 3.585 1.00 73.54 H new ATOM 0 HG22 VAL A 407 1.545 6.893 3.032 1.00 73.54 H new ATOM 0 HG23 VAL A 407 1.414 8.260 4.164 1.00 73.54 H new ATOM 575 N ASP A 408 4.160 7.768 2.093 1.00 71.43 N ATOM 576 CA ASP A 408 5.165 6.762 1.786 1.00 73.22 C ATOM 577 C ASP A 408 4.656 5.388 2.243 1.00 43.34 C ATOM 578 O ASP A 408 4.005 5.285 3.279 1.00 40.14 O ATOM 579 CB ASP A 408 6.452 7.169 2.505 1.00 31.12 C ATOM 580 CG ASP A 408 7.688 6.454 2.056 1.00 62.31 C ATOM 581 OD1 ASP A 408 8.154 6.707 0.926 1.00 14.13 O ATOM 582 OD2 ASP A 408 8.266 5.709 2.848 1.00 52.24 O ATOM 0 H ASP A 408 4.289 8.217 3.000 1.00 71.43 H new ATOM 0 HA ASP A 408 5.363 6.694 0.716 1.00 73.22 H new ATOM 0 HB2 ASP A 408 6.602 8.240 2.369 1.00 31.12 H new ATOM 0 HB3 ASP A 408 6.321 6.999 3.574 1.00 31.12 H new ATOM 587 N PHE A 409 4.896 4.347 1.478 1.00 45.32 N ATOM 588 CA PHE A 409 4.345 3.039 1.825 1.00 72.04 C ATOM 589 C PHE A 409 5.319 1.914 1.501 1.00 13.11 C ATOM 590 O PHE A 409 6.181 2.062 0.615 1.00 45.12 O ATOM 591 CB PHE A 409 3.002 2.788 1.081 1.00 23.21 C ATOM 592 CG PHE A 409 3.132 2.555 -0.407 1.00 51.31 C ATOM 593 CD1 PHE A 409 3.408 3.595 -1.267 1.00 74.12 C ATOM 594 CD2 PHE A 409 3.001 1.280 -0.931 1.00 73.35 C ATOM 595 CE1 PHE A 409 3.551 3.377 -2.625 1.00 73.34 C ATOM 596 CE2 PHE A 409 3.147 1.052 -2.285 1.00 11.12 C ATOM 597 CZ PHE A 409 3.425 2.103 -3.133 1.00 74.12 C ATOM 0 H PHE A 409 5.457 4.369 0.626 1.00 45.32 H new ATOM 0 HA PHE A 409 4.167 3.045 2.900 1.00 72.04 H new ATOM 0 HB2 PHE A 409 2.512 1.923 1.528 1.00 23.21 H new ATOM 0 HB3 PHE A 409 2.348 3.644 1.244 1.00 23.21 H new ATOM 0 HD1 PHE A 409 3.514 4.596 -0.875 1.00 74.12 H new ATOM 0 HD2 PHE A 409 2.782 0.453 -0.272 1.00 73.35 H new ATOM 0 HE1 PHE A 409 3.761 4.205 -3.286 1.00 73.34 H new ATOM 0 HE2 PHE A 409 3.044 0.052 -2.679 1.00 11.12 H new ATOM 0 HZ PHE A 409 3.544 1.928 -4.192 1.00 74.12 H new ATOM 607 N ARG A 410 5.167 0.804 2.223 1.00 63.44 N ATOM 608 CA ARG A 410 5.930 -0.436 2.037 1.00 0.11 C ATOM 609 C ARG A 410 5.130 -1.584 2.538 1.00 62.31 C ATOM 610 O ARG A 410 4.125 -1.396 3.250 1.00 41.01 O ATOM 611 CB ARG A 410 7.290 -0.434 2.762 1.00 4.32 C ATOM 612 CG ARG A 410 8.296 0.413 2.080 1.00 14.03 C ATOM 613 CD ARG A 410 9.600 0.572 2.837 1.00 43.10 C ATOM 614 NE ARG A 410 10.373 1.657 2.222 1.00 2.25 N ATOM 615 CZ ARG A 410 10.005 2.949 2.323 1.00 54.30 C ATOM 616 NH1 ARG A 410 9.054 3.301 3.189 1.00 44.10 N ATOM 617 NH2 ARG A 410 10.586 3.890 1.584 1.00 13.43 N ATOM 0 H ARG A 410 4.487 0.738 2.980 1.00 63.44 H new ATOM 0 HA ARG A 410 6.131 -0.520 0.969 1.00 0.11 H new ATOM 0 HB2 ARG A 410 7.153 -0.079 3.783 1.00 4.32 H new ATOM 0 HB3 ARG A 410 7.664 -1.456 2.828 1.00 4.32 H new ATOM 0 HG2 ARG A 410 8.509 -0.015 1.100 1.00 14.03 H new ATOM 0 HG3 ARG A 410 7.866 1.400 1.910 1.00 14.03 H new ATOM 0 HD2 ARG A 410 9.403 0.796 3.885 1.00 43.10 H new ATOM 0 HD3 ARG A 410 10.168 -0.358 2.811 1.00 43.10 H new ATOM 0 HE ARG A 410 11.218 1.425 1.700 1.00 2.25 H new ATOM 0 HH11 ARG A 410 8.608 2.593 3.772 1.00 44.10 H new ATOM 0 HH12 ARG A 410 8.773 4.278 3.268 1.00 44.10 H new ATOM 0 HH21 ARG A 410 11.324 3.639 0.926 1.00 13.43 H new ATOM 0 HH22 ARG A 410 10.293 4.863 1.675 1.00 13.43 H new ATOM 631 N THR A 411 5.545 -2.754 2.179 1.00 2.10 N ATOM 632 CA THR A 411 4.901 -3.937 2.632 1.00 11.31 C ATOM 633 C THR A 411 5.715 -4.549 3.776 1.00 12.04 C ATOM 634 O THR A 411 6.907 -4.247 3.941 1.00 24.54 O ATOM 635 CB THR A 411 4.738 -4.963 1.481 1.00 70.34 C ATOM 636 OG1 THR A 411 6.014 -5.409 1.042 1.00 15.41 O ATOM 637 CG2 THR A 411 4.032 -4.325 0.294 1.00 64.20 C ATOM 0 H THR A 411 6.342 -2.914 1.562 1.00 2.10 H new ATOM 0 HA THR A 411 3.904 -3.678 2.988 1.00 11.31 H new ATOM 0 HB THR A 411 4.150 -5.800 1.859 1.00 70.34 H new ATOM 0 HG1 THR A 411 5.905 -6.188 0.458 1.00 15.41 H new ATOM 0 HG21 THR A 411 3.926 -5.060 -0.504 1.00 64.20 H new ATOM 0 HG22 THR A 411 3.045 -3.978 0.601 1.00 64.20 H new ATOM 0 HG23 THR A 411 4.618 -3.479 -0.066 1.00 64.20 H new ATOM 645 N GLU A 412 5.075 -5.343 4.572 1.00 70.24 N ATOM 646 CA GLU A 412 5.700 -6.057 5.656 1.00 31.22 C ATOM 647 C GLU A 412 5.791 -7.510 5.205 1.00 20.21 C ATOM 648 O GLU A 412 5.113 -7.880 4.254 1.00 10.31 O ATOM 649 CB GLU A 412 4.803 -5.946 6.902 1.00 31.30 C ATOM 650 CG GLU A 412 5.415 -6.446 8.204 1.00 3.34 C ATOM 651 CD GLU A 412 6.589 -5.611 8.652 1.00 75.53 C ATOM 652 OE1 GLU A 412 7.724 -5.871 8.215 1.00 13.12 O ATOM 653 OE2 GLU A 412 6.400 -4.687 9.479 1.00 22.53 O ATOM 0 H GLU A 412 4.074 -5.523 4.490 1.00 70.24 H new ATOM 0 HA GLU A 412 6.685 -5.660 5.902 1.00 31.22 H new ATOM 0 HB2 GLU A 412 4.521 -4.901 7.032 1.00 31.30 H new ATOM 0 HB3 GLU A 412 3.885 -6.503 6.716 1.00 31.30 H new ATOM 0 HG2 GLU A 412 4.653 -6.443 8.984 1.00 3.34 H new ATOM 0 HG3 GLU A 412 5.737 -7.480 8.076 1.00 3.34 H new ATOM 660 N ASP A 413 6.605 -8.314 5.865 1.00 63.35 N ATOM 661 CA ASP A 413 6.770 -9.738 5.513 1.00 23.15 C ATOM 662 C ASP A 413 5.437 -10.479 5.633 1.00 32.13 C ATOM 663 O ASP A 413 5.066 -11.291 4.775 1.00 10.33 O ATOM 664 CB ASP A 413 7.850 -10.410 6.411 1.00 42.44 C ATOM 665 CG ASP A 413 7.428 -10.622 7.852 1.00 63.24 C ATOM 666 OD1 ASP A 413 7.104 -9.639 8.537 1.00 23.13 O ATOM 667 OD2 ASP A 413 7.384 -11.778 8.320 1.00 70.15 O ATOM 0 H ASP A 413 7.173 -8.014 6.657 1.00 63.35 H new ATOM 0 HA ASP A 413 7.105 -9.794 4.477 1.00 23.15 H new ATOM 0 HB2 ASP A 413 8.115 -11.374 5.978 1.00 42.44 H new ATOM 0 HB3 ASP A 413 8.750 -9.795 6.396 1.00 42.44 H new ATOM 672 N GLY A 414 4.716 -10.138 6.658 1.00 12.45 N ATOM 673 CA GLY A 414 3.446 -10.740 6.968 1.00 73.44 C ATOM 674 C GLY A 414 3.635 -12.160 7.424 1.00 72.42 C ATOM 675 O GLY A 414 3.816 -12.431 8.612 1.00 24.45 O ATOM 0 H GLY A 414 4.998 -9.416 7.321 1.00 12.45 H new ATOM 0 HA2 GLY A 414 2.945 -10.165 7.747 1.00 73.44 H new ATOM 0 HA3 GLY A 414 2.801 -10.716 6.089 1.00 73.44 H new ATOM 679 N THR A 415 3.623 -13.040 6.484 1.00 31.14 N ATOM 680 CA THR A 415 3.826 -14.455 6.712 1.00 3.44 C ATOM 681 C THR A 415 4.875 -14.989 5.703 1.00 31.35 C ATOM 682 O THR A 415 5.277 -16.163 5.729 1.00 35.33 O ATOM 683 CB THR A 415 2.471 -15.199 6.523 1.00 41.32 C ATOM 684 OG1 THR A 415 2.594 -16.599 6.824 1.00 34.14 O ATOM 685 CG2 THR A 415 1.965 -15.017 5.096 1.00 43.34 C ATOM 0 H THR A 415 3.469 -12.804 5.504 1.00 31.14 H new ATOM 0 HA THR A 415 4.190 -14.624 7.725 1.00 3.44 H new ATOM 0 HB THR A 415 1.753 -14.765 7.219 1.00 41.32 H new ATOM 0 HG1 THR A 415 3.464 -16.925 6.513 1.00 34.14 H new ATOM 0 HG21 THR A 415 1.017 -15.542 4.976 1.00 43.34 H new ATOM 0 HG22 THR A 415 1.820 -13.956 4.894 1.00 43.34 H new ATOM 0 HG23 THR A 415 2.695 -15.423 4.396 1.00 43.34 H new ATOM 693 N ALA A 416 5.337 -14.105 4.863 1.00 35.31 N ATOM 694 CA ALA A 416 6.217 -14.433 3.774 1.00 4.24 C ATOM 695 C ALA A 416 7.404 -13.494 3.824 1.00 73.12 C ATOM 696 O ALA A 416 7.733 -13.003 4.887 1.00 1.14 O ATOM 697 CB ALA A 416 5.442 -14.239 2.513 1.00 4.43 C ATOM 0 H ALA A 416 5.107 -13.113 4.917 1.00 35.31 H new ATOM 0 HA ALA A 416 6.581 -15.459 3.831 1.00 4.24 H new ATOM 0 HB1 ALA A 416 6.074 -14.478 1.657 1.00 4.43 H new ATOM 0 HB2 ALA A 416 4.572 -14.896 2.516 1.00 4.43 H new ATOM 0 HB3 ALA A 416 5.114 -13.202 2.444 1.00 4.43 H new ATOM 703 N ASN A 417 8.054 -13.258 2.708 1.00 13.05 N ATOM 704 CA ASN A 417 9.171 -12.342 2.689 1.00 25.14 C ATOM 705 C ASN A 417 9.141 -11.476 1.433 1.00 33.22 C ATOM 706 O ASN A 417 9.082 -11.991 0.294 1.00 1.55 O ATOM 707 CB ASN A 417 10.502 -13.099 2.777 1.00 22.42 C ATOM 708 CG ASN A 417 11.717 -12.184 2.934 1.00 23.23 C ATOM 709 OD1 ASN A 417 12.800 -12.481 2.436 1.00 21.42 O ATOM 710 ND2 ASN A 417 11.569 -11.091 3.650 1.00 54.54 N ATOM 0 H ASN A 417 7.831 -13.684 1.808 1.00 13.05 H new ATOM 0 HA ASN A 417 9.084 -11.693 3.561 1.00 25.14 H new ATOM 0 HB2 ASN A 417 10.464 -13.787 3.622 1.00 22.42 H new ATOM 0 HB3 ASN A 417 10.627 -13.704 1.879 1.00 22.42 H new ATOM 0 HD21 ASN A 417 12.363 -10.469 3.802 1.00 54.54 H new ATOM 0 HD22 ASN A 417 10.660 -10.865 4.054 1.00 54.54 H new ATOM 717 N ALA A 418 9.175 -10.175 1.629 1.00 14.23 N ATOM 718 CA ALA A 418 9.193 -9.235 0.544 1.00 1.25 C ATOM 719 C ALA A 418 10.561 -9.253 -0.110 1.00 21.44 C ATOM 720 O ALA A 418 11.592 -9.161 0.567 1.00 3.14 O ATOM 721 CB ALA A 418 8.836 -7.839 1.027 1.00 40.32 C ATOM 0 H ALA A 418 9.191 -9.744 2.553 1.00 14.23 H new ATOM 0 HA ALA A 418 8.443 -9.524 -0.192 1.00 1.25 H new ATOM 0 HB1 ALA A 418 8.857 -7.146 0.186 1.00 40.32 H new ATOM 0 HB2 ALA A 418 7.837 -7.849 1.464 1.00 40.32 H new ATOM 0 HB3 ALA A 418 9.557 -7.519 1.779 1.00 40.32 H new ATOM 727 N GLY A 419 10.567 -9.409 -1.402 1.00 11.45 N ATOM 728 CA GLY A 419 11.797 -9.527 -2.140 1.00 24.24 C ATOM 729 C GLY A 419 12.024 -10.956 -2.564 1.00 12.52 C ATOM 730 O GLY A 419 12.877 -11.249 -3.395 1.00 2.22 O ATOM 0 H GLY A 419 9.724 -9.458 -1.975 1.00 11.45 H new ATOM 0 HA2 GLY A 419 11.764 -8.882 -3.018 1.00 24.24 H new ATOM 0 HA3 GLY A 419 12.631 -9.187 -1.525 1.00 24.24 H new ATOM 734 N SER A 420 11.259 -11.846 -1.989 1.00 72.34 N ATOM 735 CA SER A 420 11.343 -13.242 -2.317 1.00 23.44 C ATOM 736 C SER A 420 10.013 -13.713 -2.908 1.00 22.32 C ATOM 737 O SER A 420 9.955 -14.207 -4.039 1.00 5.22 O ATOM 738 CB SER A 420 11.695 -14.030 -1.057 1.00 65.10 C ATOM 739 OG SER A 420 12.880 -13.507 -0.467 1.00 43.03 O ATOM 0 H SER A 420 10.560 -11.622 -1.280 1.00 72.34 H new ATOM 0 HA SER A 420 12.122 -13.407 -3.062 1.00 23.44 H new ATOM 0 HB2 SER A 420 10.872 -13.978 -0.345 1.00 65.10 H new ATOM 0 HB3 SER A 420 11.837 -15.082 -1.305 1.00 65.10 H new ATOM 0 HG SER A 420 12.694 -13.238 0.457 1.00 43.03 H new ATOM 745 N ASP A 421 8.955 -13.515 -2.150 1.00 62.44 N ATOM 746 CA ASP A 421 7.617 -13.918 -2.556 1.00 42.21 C ATOM 747 C ASP A 421 7.000 -12.842 -3.400 1.00 14.32 C ATOM 748 O ASP A 421 6.620 -13.048 -4.530 1.00 53.43 O ATOM 749 CB ASP A 421 6.746 -14.175 -1.310 1.00 65.43 C ATOM 750 CG ASP A 421 7.258 -15.321 -0.492 1.00 74.41 C ATOM 751 OD1 ASP A 421 7.159 -16.476 -0.940 1.00 13.43 O ATOM 752 OD2 ASP A 421 7.808 -15.085 0.603 1.00 31.40 O ATOM 0 H ASP A 421 8.994 -13.070 -1.233 1.00 62.44 H new ATOM 0 HA ASP A 421 7.680 -14.837 -3.139 1.00 42.21 H new ATOM 0 HB2 ASP A 421 6.718 -13.275 -0.695 1.00 65.43 H new ATOM 0 HB3 ASP A 421 5.722 -14.381 -1.620 1.00 65.43 H new ATOM 757 N TYR A 422 6.919 -11.684 -2.842 1.00 42.32 N ATOM 758 CA TYR A 422 6.361 -10.560 -3.498 1.00 21.12 C ATOM 759 C TYR A 422 7.153 -9.331 -3.201 1.00 44.44 C ATOM 760 O TYR A 422 7.994 -9.331 -2.299 1.00 12.32 O ATOM 761 CB TYR A 422 4.897 -10.416 -3.143 1.00 43.42 C ATOM 762 CG TYR A 422 4.535 -10.973 -1.792 1.00 3.20 C ATOM 763 CD1 TYR A 422 5.149 -10.535 -0.613 1.00 74.05 C ATOM 764 CD2 TYR A 422 3.553 -11.924 -1.698 1.00 1.42 C ATOM 765 CE1 TYR A 422 4.758 -11.042 0.606 1.00 1.24 C ATOM 766 CE2 TYR A 422 3.169 -12.433 -0.494 1.00 1.41 C ATOM 767 CZ TYR A 422 3.759 -11.993 0.647 1.00 12.14 C ATOM 768 OH TYR A 422 3.323 -12.471 1.838 1.00 71.12 O ATOM 0 H TYR A 422 7.247 -11.491 -1.896 1.00 42.32 H new ATOM 0 HA TYR A 422 6.412 -10.710 -4.576 1.00 21.12 H new ATOM 0 HB2 TYR A 422 4.629 -9.360 -3.172 1.00 43.42 H new ATOM 0 HB3 TYR A 422 4.299 -10.918 -3.903 1.00 43.42 H new ATOM 0 HD1 TYR A 422 5.934 -9.795 -0.660 1.00 74.05 H new ATOM 0 HD2 TYR A 422 3.073 -12.278 -2.598 1.00 1.42 H new ATOM 0 HE1 TYR A 422 5.227 -10.700 1.517 1.00 1.24 H new ATOM 0 HE2 TYR A 422 2.396 -13.186 -0.447 1.00 1.41 H new ATOM 0 HH TYR A 422 3.044 -13.405 1.733 1.00 71.12 H new ATOM 778 N GLU A 423 6.921 -8.322 -3.974 1.00 45.44 N ATOM 779 CA GLU A 423 7.677 -7.102 -3.922 1.00 44.14 C ATOM 780 C GLU A 423 7.304 -6.280 -2.677 1.00 43.33 C ATOM 781 O GLU A 423 6.171 -6.352 -2.184 1.00 55.22 O ATOM 782 CB GLU A 423 7.372 -6.314 -5.191 1.00 24.30 C ATOM 783 CG GLU A 423 8.341 -5.225 -5.529 1.00 11.20 C ATOM 784 CD GLU A 423 7.878 -4.421 -6.708 1.00 62.02 C ATOM 785 OE1 GLU A 423 7.102 -3.466 -6.519 1.00 5.14 O ATOM 786 OE2 GLU A 423 8.272 -4.735 -7.854 1.00 1.32 O ATOM 0 H GLU A 423 6.184 -8.317 -4.679 1.00 45.44 H new ATOM 0 HA GLU A 423 8.742 -7.324 -3.857 1.00 44.14 H new ATOM 0 HB2 GLU A 423 7.331 -7.011 -6.028 1.00 24.30 H new ATOM 0 HB3 GLU A 423 6.379 -5.874 -5.093 1.00 24.30 H new ATOM 0 HG2 GLU A 423 8.467 -4.569 -4.668 1.00 11.20 H new ATOM 0 HG3 GLU A 423 9.317 -5.660 -5.745 1.00 11.20 H new ATOM 793 N PHE A 424 8.264 -5.533 -2.162 1.00 53.35 N ATOM 794 CA PHE A 424 8.017 -4.641 -1.033 1.00 23.15 C ATOM 795 C PHE A 424 7.357 -3.340 -1.473 1.00 53.04 C ATOM 796 O PHE A 424 6.813 -2.608 -0.643 1.00 73.50 O ATOM 797 CB PHE A 424 9.303 -4.363 -0.216 1.00 33.43 C ATOM 798 CG PHE A 424 10.536 -4.055 -1.033 1.00 35.24 C ATOM 799 CD1 PHE A 424 10.530 -3.073 -2.004 1.00 32.34 C ATOM 800 CD2 PHE A 424 11.701 -4.757 -0.812 1.00 71.23 C ATOM 801 CE1 PHE A 424 11.657 -2.800 -2.742 1.00 44.11 C ATOM 802 CE2 PHE A 424 12.835 -4.491 -1.544 1.00 31.23 C ATOM 803 CZ PHE A 424 12.817 -3.511 -2.513 1.00 22.42 C ATOM 0 H PHE A 424 9.225 -5.523 -2.505 1.00 53.35 H new ATOM 0 HA PHE A 424 7.320 -5.161 -0.375 1.00 23.15 H new ATOM 0 HB2 PHE A 424 9.113 -3.525 0.454 1.00 33.43 H new ATOM 0 HB3 PHE A 424 9.510 -5.231 0.410 1.00 33.43 H new ATOM 0 HD1 PHE A 424 9.626 -2.511 -2.186 1.00 32.34 H new ATOM 0 HD2 PHE A 424 11.724 -5.526 -0.054 1.00 71.23 H new ATOM 0 HE1 PHE A 424 11.635 -2.031 -3.500 1.00 44.11 H new ATOM 0 HE2 PHE A 424 13.740 -5.051 -1.359 1.00 31.23 H new ATOM 0 HZ PHE A 424 13.706 -3.301 -3.090 1.00 22.42 H new ATOM 813 N THR A 425 7.432 -3.087 -2.795 1.00 62.35 N ATOM 814 CA THR A 425 6.924 -1.895 -3.484 1.00 20.54 C ATOM 815 C THR A 425 7.048 -0.612 -2.661 1.00 72.24 C ATOM 816 O THR A 425 6.066 0.017 -2.270 1.00 54.43 O ATOM 817 CB THR A 425 5.506 -2.065 -4.132 1.00 25.12 C ATOM 818 OG1 THR A 425 5.122 -0.884 -4.843 1.00 51.40 O ATOM 819 CG2 THR A 425 4.460 -2.367 -3.108 1.00 40.42 C ATOM 0 H THR A 425 7.872 -3.745 -3.439 1.00 62.35 H new ATOM 0 HA THR A 425 7.602 -1.779 -4.329 1.00 20.54 H new ATOM 0 HB THR A 425 5.580 -2.905 -4.823 1.00 25.12 H new ATOM 0 HG1 THR A 425 4.292 -1.054 -5.336 1.00 51.40 H new ATOM 0 HG21 THR A 425 3.493 -2.477 -3.598 1.00 40.42 H new ATOM 0 HG22 THR A 425 4.713 -3.293 -2.592 1.00 40.42 H new ATOM 0 HG23 THR A 425 4.411 -1.551 -2.387 1.00 40.42 H new ATOM 827 N GLU A 426 8.248 -0.246 -2.388 1.00 64.24 N ATOM 828 CA GLU A 426 8.489 0.927 -1.627 1.00 74.15 C ATOM 829 C GLU A 426 8.347 2.131 -2.520 1.00 13.33 C ATOM 830 O GLU A 426 8.943 2.196 -3.611 1.00 73.40 O ATOM 831 CB GLU A 426 9.855 0.904 -0.933 1.00 2.20 C ATOM 832 CG GLU A 426 11.053 0.771 -1.841 1.00 35.34 C ATOM 833 CD GLU A 426 12.352 0.960 -1.108 1.00 11.32 C ATOM 834 OE1 GLU A 426 12.348 1.117 0.145 1.00 12.30 O ATOM 835 OE2 GLU A 426 13.399 0.987 -1.768 1.00 73.30 O ATOM 0 H GLU A 426 9.086 -0.747 -2.683 1.00 64.24 H new ATOM 0 HA GLU A 426 7.749 0.977 -0.829 1.00 74.15 H new ATOM 0 HB2 GLU A 426 9.962 1.821 -0.354 1.00 2.20 H new ATOM 0 HB3 GLU A 426 9.867 0.076 -0.224 1.00 2.20 H new ATOM 0 HG2 GLU A 426 11.043 -0.213 -2.309 1.00 35.34 H new ATOM 0 HG3 GLU A 426 10.981 1.506 -2.643 1.00 35.34 H new ATOM 842 N GLY A 427 7.535 3.037 -2.112 1.00 44.32 N ATOM 843 CA GLY A 427 7.325 4.204 -2.875 1.00 1.04 C ATOM 844 C GLY A 427 6.547 5.192 -2.110 1.00 60.52 C ATOM 845 O GLY A 427 6.275 4.994 -0.923 1.00 34.01 O ATOM 0 H GLY A 427 7.002 2.988 -1.244 1.00 44.32 H new ATOM 0 HA2 GLY A 427 8.284 4.634 -3.164 1.00 1.04 H new ATOM 0 HA3 GLY A 427 6.798 3.953 -3.796 1.00 1.04 H new ATOM 849 N THR A 428 6.186 6.231 -2.758 1.00 70.51 N ATOM 850 CA THR A 428 5.397 7.242 -2.178 1.00 2.11 C ATOM 851 C THR A 428 4.192 7.486 -3.077 1.00 52.51 C ATOM 852 O THR A 428 4.309 7.462 -4.302 1.00 21.22 O ATOM 853 CB THR A 428 6.227 8.524 -2.013 1.00 63.41 C ATOM 854 OG1 THR A 428 7.427 8.224 -1.272 1.00 53.40 O ATOM 855 CG2 THR A 428 5.450 9.582 -1.268 1.00 33.35 C ATOM 0 H THR A 428 6.438 6.406 -3.731 1.00 70.51 H new ATOM 0 HA THR A 428 5.055 6.937 -1.189 1.00 2.11 H new ATOM 0 HB THR A 428 6.473 8.901 -3.006 1.00 63.41 H new ATOM 0 HG1 THR A 428 7.215 7.603 -0.544 1.00 53.40 H new ATOM 0 HG21 THR A 428 6.062 10.478 -1.166 1.00 33.35 H new ATOM 0 HG22 THR A 428 4.542 9.823 -1.821 1.00 33.35 H new ATOM 0 HG23 THR A 428 5.184 9.209 -0.279 1.00 33.35 H new ATOM 863 N VAL A 429 3.059 7.687 -2.475 1.00 21.14 N ATOM 864 CA VAL A 429 1.848 7.908 -3.198 1.00 71.41 C ATOM 865 C VAL A 429 1.633 9.392 -3.304 1.00 62.13 C ATOM 866 O VAL A 429 1.501 10.084 -2.287 1.00 31.34 O ATOM 867 CB VAL A 429 0.638 7.290 -2.474 1.00 41.13 C ATOM 868 CG1 VAL A 429 -0.597 7.350 -3.340 1.00 45.24 C ATOM 869 CG2 VAL A 429 0.923 5.875 -2.049 1.00 52.43 C ATOM 0 H VAL A 429 2.950 7.702 -1.461 1.00 21.14 H new ATOM 0 HA VAL A 429 1.935 7.441 -4.179 1.00 71.41 H new ATOM 0 HB VAL A 429 0.453 7.879 -1.576 1.00 41.13 H new ATOM 0 HG11 VAL A 429 -1.438 6.907 -2.806 1.00 45.24 H new ATOM 0 HG12 VAL A 429 -0.825 8.389 -3.578 1.00 45.24 H new ATOM 0 HG13 VAL A 429 -0.422 6.797 -4.263 1.00 45.24 H new ATOM 0 HG21 VAL A 429 0.050 5.465 -1.540 1.00 52.43 H new ATOM 0 HG22 VAL A 429 1.149 5.270 -2.927 1.00 52.43 H new ATOM 0 HG23 VAL A 429 1.777 5.864 -1.371 1.00 52.43 H new ATOM 879 N VAL A 430 1.623 9.872 -4.513 1.00 3.02 N ATOM 880 CA VAL A 430 1.480 11.275 -4.775 1.00 35.33 C ATOM 881 C VAL A 430 0.018 11.617 -4.986 1.00 1.34 C ATOM 882 O VAL A 430 -0.593 11.215 -5.983 1.00 20.03 O ATOM 883 CB VAL A 430 2.279 11.702 -6.031 1.00 53.41 C ATOM 884 CG1 VAL A 430 2.253 13.216 -6.208 1.00 1.42 C ATOM 885 CG2 VAL A 430 3.707 11.182 -5.972 1.00 44.24 C ATOM 0 H VAL A 430 1.714 9.298 -5.351 1.00 3.02 H new ATOM 0 HA VAL A 430 1.872 11.812 -3.911 1.00 35.33 H new ATOM 0 HB VAL A 430 1.797 11.257 -6.901 1.00 53.41 H new ATOM 0 HG11 VAL A 430 2.822 13.488 -7.097 1.00 1.42 H new ATOM 0 HG12 VAL A 430 1.222 13.552 -6.320 1.00 1.42 H new ATOM 0 HG13 VAL A 430 2.697 13.692 -5.334 1.00 1.42 H new ATOM 0 HG21 VAL A 430 4.246 11.496 -6.866 1.00 44.24 H new ATOM 0 HG22 VAL A 430 4.204 11.583 -5.089 1.00 44.24 H new ATOM 0 HG23 VAL A 430 3.696 10.093 -5.919 1.00 44.24 H new ATOM 895 N PHE A 431 -0.546 12.312 -4.050 1.00 55.12 N ATOM 896 CA PHE A 431 -1.894 12.762 -4.162 1.00 35.22 C ATOM 897 C PHE A 431 -1.930 14.128 -4.773 1.00 21.00 C ATOM 898 O PHE A 431 -1.771 15.130 -4.088 1.00 31.21 O ATOM 899 CB PHE A 431 -2.608 12.755 -2.817 1.00 41.11 C ATOM 900 CG PHE A 431 -3.005 11.403 -2.356 1.00 11.24 C ATOM 901 CD1 PHE A 431 -4.236 10.889 -2.712 1.00 74.33 C ATOM 902 CD2 PHE A 431 -2.166 10.641 -1.575 1.00 4.12 C ATOM 903 CE1 PHE A 431 -4.625 9.646 -2.300 1.00 63.30 C ATOM 904 CE2 PHE A 431 -2.551 9.393 -1.160 1.00 13.25 C ATOM 905 CZ PHE A 431 -3.780 8.899 -1.525 1.00 35.43 C ATOM 0 H PHE A 431 -0.081 12.584 -3.184 1.00 55.12 H new ATOM 0 HA PHE A 431 -2.425 12.067 -4.812 1.00 35.22 H new ATOM 0 HB2 PHE A 431 -1.957 13.207 -2.069 1.00 41.11 H new ATOM 0 HB3 PHE A 431 -3.498 13.381 -2.885 1.00 41.11 H new ATOM 0 HD1 PHE A 431 -4.901 11.478 -3.325 1.00 74.33 H new ATOM 0 HD2 PHE A 431 -1.200 11.028 -1.288 1.00 4.12 H new ATOM 0 HE1 PHE A 431 -5.591 9.256 -2.584 1.00 63.30 H new ATOM 0 HE2 PHE A 431 -1.889 8.799 -0.547 1.00 13.25 H new ATOM 0 HZ PHE A 431 -4.081 7.915 -1.198 1.00 35.43 H new ATOM 915 N LYS A 432 -2.106 14.151 -6.060 1.00 1.42 N ATOM 916 CA LYS A 432 -2.181 15.367 -6.822 1.00 23.13 C ATOM 917 C LYS A 432 -3.600 15.948 -6.759 1.00 43.23 C ATOM 918 O LYS A 432 -4.500 15.338 -6.133 1.00 2.04 O ATOM 919 CB LYS A 432 -1.785 15.068 -8.279 1.00 60.25 C ATOM 920 CG LYS A 432 -0.319 14.780 -8.482 1.00 62.41 C ATOM 921 CD LYS A 432 -0.013 14.575 -9.950 1.00 2.32 C ATOM 922 CE LYS A 432 1.460 14.280 -10.186 1.00 64.33 C ATOM 923 NZ LYS A 432 2.337 15.396 -9.753 1.00 44.23 N ATOM 0 H LYS A 432 -2.204 13.307 -6.625 1.00 1.42 H new ATOM 0 HA LYS A 432 -1.496 16.104 -6.404 1.00 23.13 H new ATOM 0 HB2 LYS A 432 -2.362 14.213 -8.631 1.00 60.25 H new ATOM 0 HB3 LYS A 432 -2.065 15.919 -8.900 1.00 60.25 H new ATOM 0 HG2 LYS A 432 0.276 15.606 -8.093 1.00 62.41 H new ATOM 0 HG3 LYS A 432 -0.036 13.891 -7.919 1.00 62.41 H new ATOM 0 HD2 LYS A 432 -0.614 13.751 -10.335 1.00 2.32 H new ATOM 0 HD3 LYS A 432 -0.299 15.466 -10.508 1.00 2.32 H new ATOM 0 HE2 LYS A 432 1.737 13.374 -9.647 1.00 64.33 H new ATOM 0 HE3 LYS A 432 1.623 14.083 -11.246 1.00 64.33 H new ATOM 0 HZ1 LYS A 432 3.304 15.232 -10.100 1.00 44.23 H new ATOM 0 HZ2 LYS A 432 1.977 16.291 -10.141 1.00 44.23 H new ATOM 0 HZ3 LYS A 432 2.346 15.448 -8.714 1.00 44.23 H new ATOM 937 N PRO A 433 -3.826 17.152 -7.337 1.00 70.14 N ATOM 938 CA PRO A 433 -5.169 17.708 -7.465 1.00 4.33 C ATOM 939 C PRO A 433 -6.040 16.762 -8.291 1.00 1.20 C ATOM 940 O PRO A 433 -5.607 16.246 -9.334 1.00 54.01 O ATOM 941 CB PRO A 433 -4.950 19.020 -8.231 1.00 43.22 C ATOM 942 CG PRO A 433 -3.533 19.378 -7.971 1.00 32.40 C ATOM 943 CD PRO A 433 -2.800 18.080 -7.876 1.00 23.52 C ATOM 0 HA PRO A 433 -5.666 17.854 -6.506 1.00 4.33 H new ATOM 0 HB2 PRO A 433 -5.136 18.892 -9.297 1.00 43.22 H new ATOM 0 HB3 PRO A 433 -5.626 19.800 -7.881 1.00 43.22 H new ATOM 0 HG2 PRO A 433 -3.132 19.997 -8.774 1.00 32.40 H new ATOM 0 HG3 PRO A 433 -3.437 19.951 -7.049 1.00 32.40 H new ATOM 0 HD2 PRO A 433 -2.432 17.753 -8.848 1.00 23.52 H new ATOM 0 HD3 PRO A 433 -1.936 18.153 -7.216 1.00 23.52 H new ATOM 951 N GLY A 434 -7.227 16.503 -7.815 1.00 44.11 N ATOM 952 CA GLY A 434 -8.117 15.584 -8.507 1.00 41.11 C ATOM 953 C GLY A 434 -7.969 14.136 -8.040 1.00 4.24 C ATOM 954 O GLY A 434 -8.860 13.317 -8.248 1.00 24.35 O ATOM 0 H GLY A 434 -7.607 16.907 -6.959 1.00 44.11 H new ATOM 0 HA2 GLY A 434 -9.148 15.904 -8.356 1.00 41.11 H new ATOM 0 HA3 GLY A 434 -7.921 15.635 -9.578 1.00 41.11 H new ATOM 958 N GLU A 435 -6.859 13.833 -7.402 1.00 42.44 N ATOM 959 CA GLU A 435 -6.559 12.487 -6.907 1.00 55.24 C ATOM 960 C GLU A 435 -7.204 12.212 -5.569 1.00 44.31 C ATOM 961 O GLU A 435 -6.531 12.144 -4.535 1.00 52.01 O ATOM 962 CB GLU A 435 -5.057 12.167 -6.902 1.00 22.31 C ATOM 963 CG GLU A 435 -4.413 12.169 -8.282 1.00 23.42 C ATOM 964 CD GLU A 435 -5.001 11.128 -9.209 1.00 31.12 C ATOM 965 OE1 GLU A 435 -5.996 11.419 -9.900 1.00 63.54 O ATOM 966 OE2 GLU A 435 -4.481 10.011 -9.280 1.00 45.53 O ATOM 0 H GLU A 435 -6.126 14.514 -7.205 1.00 42.44 H new ATOM 0 HA GLU A 435 -7.009 11.800 -7.624 1.00 55.24 H new ATOM 0 HB2 GLU A 435 -4.544 12.895 -6.273 1.00 22.31 H new ATOM 0 HB3 GLU A 435 -4.907 11.189 -6.445 1.00 22.31 H new ATOM 0 HG2 GLU A 435 -4.531 13.155 -8.731 1.00 23.42 H new ATOM 0 HG3 GLU A 435 -3.343 11.992 -8.178 1.00 23.42 H new ATOM 973 N THR A 436 -8.515 12.213 -5.571 1.00 3.12 N ATOM 974 CA THR A 436 -9.293 11.899 -4.396 1.00 14.24 C ATOM 975 C THR A 436 -9.114 10.397 -4.055 1.00 41.24 C ATOM 976 O THR A 436 -9.387 9.953 -2.941 1.00 4.24 O ATOM 977 CB THR A 436 -10.773 12.212 -4.678 1.00 73.24 C ATOM 978 OG1 THR A 436 -10.841 13.501 -5.315 1.00 14.01 O ATOM 979 CG2 THR A 436 -11.585 12.264 -3.389 1.00 3.02 C ATOM 0 H THR A 436 -9.077 12.433 -6.394 1.00 3.12 H new ATOM 0 HA THR A 436 -8.958 12.496 -3.548 1.00 14.24 H new ATOM 0 HB THR A 436 -11.186 11.427 -5.312 1.00 73.24 H new ATOM 0 HG1 THR A 436 -11.776 13.722 -5.507 1.00 14.01 H new ATOM 0 HG21 THR A 436 -12.626 12.487 -3.623 1.00 3.02 H new ATOM 0 HG22 THR A 436 -11.526 11.301 -2.882 1.00 3.02 H new ATOM 0 HG23 THR A 436 -11.185 13.041 -2.738 1.00 3.02 H new ATOM 987 N GLN A 437 -8.668 9.628 -5.041 1.00 42.41 N ATOM 988 CA GLN A 437 -8.361 8.234 -4.854 1.00 55.33 C ATOM 989 C GLN A 437 -7.085 7.928 -5.592 1.00 24.40 C ATOM 990 O GLN A 437 -6.888 8.397 -6.717 1.00 72.33 O ATOM 991 CB GLN A 437 -9.466 7.338 -5.402 1.00 13.43 C ATOM 992 CG GLN A 437 -10.843 7.691 -4.915 1.00 11.42 C ATOM 993 CD GLN A 437 -11.883 6.690 -5.355 1.00 65.34 C ATOM 994 OE1 GLN A 437 -11.595 5.510 -5.531 1.00 53.24 O ATOM 995 NE2 GLN A 437 -13.082 7.132 -5.540 1.00 32.52 N ATOM 0 H GLN A 437 -8.512 9.964 -5.991 1.00 42.41 H new ATOM 0 HA GLN A 437 -8.262 8.041 -3.786 1.00 55.33 H new ATOM 0 HB2 GLN A 437 -9.454 7.389 -6.491 1.00 13.43 H new ATOM 0 HB3 GLN A 437 -9.250 6.305 -5.129 1.00 13.43 H new ATOM 0 HG2 GLN A 437 -10.837 7.750 -3.827 1.00 11.42 H new ATOM 0 HG3 GLN A 437 -11.114 8.679 -5.286 1.00 11.42 H new ATOM 0 HE21 GLN A 437 -13.291 8.118 -5.386 1.00 32.52 H new ATOM 0 HE22 GLN A 437 -13.820 6.495 -5.840 1.00 32.52 H new ATOM 1004 N LYS A 438 -6.231 7.168 -4.980 1.00 23.10 N ATOM 1005 CA LYS A 438 -4.982 6.760 -5.591 1.00 44.31 C ATOM 1006 C LYS A 438 -4.851 5.271 -5.601 1.00 74.02 C ATOM 1007 O LYS A 438 -5.398 4.594 -4.743 1.00 41.12 O ATOM 1008 CB LYS A 438 -3.780 7.384 -4.892 1.00 12.42 C ATOM 1009 CG LYS A 438 -3.282 8.685 -5.513 1.00 42.33 C ATOM 1010 CD LYS A 438 -2.738 8.460 -6.926 1.00 72.24 C ATOM 1011 CE LYS A 438 -1.577 7.464 -6.952 1.00 51.52 C ATOM 1012 NZ LYS A 438 -1.066 7.248 -8.317 1.00 21.03 N ATOM 0 H LYS A 438 -6.372 6.806 -4.037 1.00 23.10 H new ATOM 0 HA LYS A 438 -4.999 7.119 -6.620 1.00 44.31 H new ATOM 0 HB2 LYS A 438 -4.041 7.572 -3.850 1.00 12.42 H new ATOM 0 HB3 LYS A 438 -2.963 6.662 -4.891 1.00 12.42 H new ATOM 0 HG2 LYS A 438 -4.097 9.409 -5.547 1.00 42.33 H new ATOM 0 HG3 LYS A 438 -2.501 9.113 -4.885 1.00 42.33 H new ATOM 0 HD2 LYS A 438 -3.540 8.096 -7.568 1.00 72.24 H new ATOM 0 HD3 LYS A 438 -2.406 9.412 -7.340 1.00 72.24 H new ATOM 0 HE2 LYS A 438 -0.771 7.830 -6.317 1.00 51.52 H new ATOM 0 HE3 LYS A 438 -1.906 6.513 -6.533 1.00 51.52 H new ATOM 0 HZ1 LYS A 438 -0.281 6.567 -8.290 1.00 21.03 H new ATOM 0 HZ2 LYS A 438 -1.828 6.874 -8.918 1.00 21.03 H new ATOM 0 HZ3 LYS A 438 -0.728 8.151 -8.708 1.00 21.03 H new ATOM 1026 N GLU A 439 -4.137 4.771 -6.559 1.00 34.03 N ATOM 1027 CA GLU A 439 -3.916 3.358 -6.681 1.00 55.14 C ATOM 1028 C GLU A 439 -2.459 3.040 -6.429 1.00 31.14 C ATOM 1029 O GLU A 439 -1.572 3.795 -6.845 1.00 64.11 O ATOM 1030 CB GLU A 439 -4.303 2.873 -8.078 1.00 42.43 C ATOM 1031 CG GLU A 439 -4.099 1.383 -8.284 1.00 3.30 C ATOM 1032 CD GLU A 439 -4.382 0.944 -9.683 1.00 3.32 C ATOM 1033 OE1 GLU A 439 -5.547 0.703 -10.008 1.00 54.03 O ATOM 1034 OE2 GLU A 439 -3.430 0.803 -10.485 1.00 40.34 O ATOM 0 H GLU A 439 -3.687 5.330 -7.284 1.00 34.03 H new ATOM 0 HA GLU A 439 -4.536 2.849 -5.943 1.00 55.14 H new ATOM 0 HB2 GLU A 439 -5.350 3.116 -8.261 1.00 42.43 H new ATOM 0 HB3 GLU A 439 -3.716 3.417 -8.818 1.00 42.43 H new ATOM 0 HG2 GLU A 439 -3.072 1.124 -8.028 1.00 3.30 H new ATOM 0 HG3 GLU A 439 -4.746 0.835 -7.599 1.00 3.30 H new ATOM 1041 N ILE A 440 -2.217 1.969 -5.715 1.00 74.30 N ATOM 1042 CA ILE A 440 -0.883 1.474 -5.532 1.00 22.14 C ATOM 1043 C ILE A 440 -0.811 0.040 -5.997 1.00 73.43 C ATOM 1044 O ILE A 440 -1.718 -0.762 -5.733 1.00 31.33 O ATOM 1045 CB ILE A 440 -0.354 1.561 -4.083 1.00 21.43 C ATOM 1046 CG1 ILE A 440 -1.220 0.756 -3.114 1.00 4.45 C ATOM 1047 CG2 ILE A 440 -0.254 3.008 -3.646 1.00 45.20 C ATOM 1048 CD1 ILE A 440 -0.597 0.566 -1.758 1.00 73.12 C ATOM 0 H ILE A 440 -2.939 1.420 -5.248 1.00 74.30 H new ATOM 0 HA ILE A 440 -0.243 2.125 -6.128 1.00 22.14 H new ATOM 0 HB ILE A 440 0.643 1.121 -4.065 1.00 21.43 H new ATOM 0 HG12 ILE A 440 -2.180 1.259 -2.995 1.00 4.45 H new ATOM 0 HG13 ILE A 440 -1.424 -0.222 -3.550 1.00 4.45 H new ATOM 0 HG21 ILE A 440 0.120 3.054 -2.623 1.00 45.20 H new ATOM 0 HG22 ILE A 440 0.430 3.541 -4.307 1.00 45.20 H new ATOM 0 HG23 ILE A 440 -1.240 3.471 -3.693 1.00 45.20 H new ATOM 0 HD11 ILE A 440 -1.270 -0.014 -1.126 1.00 73.12 H new ATOM 0 HD12 ILE A 440 0.349 0.035 -1.863 1.00 73.12 H new ATOM 0 HD13 ILE A 440 -0.418 1.539 -1.300 1.00 73.12 H new ATOM 1060 N ARG A 441 0.200 -0.255 -6.743 1.00 63.12 N ATOM 1061 CA ARG A 441 0.450 -1.571 -7.223 1.00 1.32 C ATOM 1062 C ARG A 441 1.567 -2.216 -6.469 1.00 41.54 C ATOM 1063 O ARG A 441 2.614 -1.606 -6.248 1.00 61.52 O ATOM 1064 CB ARG A 441 0.822 -1.487 -8.668 1.00 3.24 C ATOM 1065 CG ARG A 441 -0.293 -0.977 -9.510 1.00 33.32 C ATOM 1066 CD ARG A 441 -1.221 -2.099 -9.875 1.00 73.04 C ATOM 1067 NE ARG A 441 -2.373 -1.659 -10.638 1.00 40.54 N ATOM 1068 CZ ARG A 441 -3.089 -2.444 -11.433 1.00 1.13 C ATOM 1069 NH1 ARG A 441 -2.657 -3.679 -11.735 1.00 61.44 N ATOM 1070 NH2 ARG A 441 -4.224 -1.982 -11.948 1.00 33.11 N ATOM 0 H ARG A 441 0.893 0.431 -7.043 1.00 63.12 H new ATOM 0 HA ARG A 441 -0.449 -2.172 -7.086 1.00 1.32 H new ATOM 0 HB2 ARG A 441 1.687 -0.834 -8.781 1.00 3.24 H new ATOM 0 HB3 ARG A 441 1.119 -2.474 -9.022 1.00 3.24 H new ATOM 0 HG2 ARG A 441 -0.840 -0.203 -8.972 1.00 33.32 H new ATOM 0 HG3 ARG A 441 0.105 -0.516 -10.414 1.00 33.32 H new ATOM 0 HD2 ARG A 441 -0.672 -2.843 -10.453 1.00 73.04 H new ATOM 0 HD3 ARG A 441 -1.562 -2.591 -8.964 1.00 73.04 H new ATOM 0 HE ARG A 441 -2.651 -0.681 -10.558 1.00 40.54 H new ATOM 0 HH11 ARG A 441 -1.774 -4.018 -11.353 1.00 61.44 H new ATOM 0 HH12 ARG A 441 -3.212 -4.278 -12.347 1.00 61.44 H new ATOM 0 HH21 ARG A 441 -4.534 -1.035 -11.731 1.00 33.11 H new ATOM 0 HH22 ARG A 441 -4.784 -2.574 -12.561 1.00 33.11 H new ATOM 1084 N VAL A 442 1.342 -3.426 -6.068 1.00 53.15 N ATOM 1085 CA VAL A 442 2.361 -4.219 -5.446 1.00 3.43 C ATOM 1086 C VAL A 442 2.721 -5.314 -6.411 1.00 12.12 C ATOM 1087 O VAL A 442 1.831 -6.040 -6.875 1.00 11.51 O ATOM 1088 CB VAL A 442 1.900 -4.875 -4.125 1.00 64.31 C ATOM 1089 CG1 VAL A 442 3.045 -5.645 -3.488 1.00 22.23 C ATOM 1090 CG2 VAL A 442 1.302 -3.861 -3.151 1.00 43.24 C ATOM 0 H VAL A 442 0.442 -3.897 -6.162 1.00 53.15 H new ATOM 0 HA VAL A 442 3.200 -3.566 -5.205 1.00 3.43 H new ATOM 0 HB VAL A 442 1.103 -5.577 -4.369 1.00 64.31 H new ATOM 0 HG11 VAL A 442 2.704 -6.101 -2.559 1.00 22.23 H new ATOM 0 HG12 VAL A 442 3.384 -6.424 -4.171 1.00 22.23 H new ATOM 0 HG13 VAL A 442 3.869 -4.963 -3.277 1.00 22.23 H new ATOM 0 HG21 VAL A 442 0.993 -4.371 -2.239 1.00 43.24 H new ATOM 0 HG22 VAL A 442 2.049 -3.105 -2.909 1.00 43.24 H new ATOM 0 HG23 VAL A 442 0.437 -3.383 -3.610 1.00 43.24 H new ATOM 1100 N GLY A 443 3.979 -5.402 -6.744 1.00 3.34 N ATOM 1101 CA GLY A 443 4.445 -6.413 -7.639 1.00 21.31 C ATOM 1102 C GLY A 443 4.462 -7.774 -7.004 1.00 30.00 C ATOM 1103 O GLY A 443 4.886 -7.934 -5.855 1.00 35.41 O ATOM 0 H GLY A 443 4.706 -4.774 -6.401 1.00 3.34 H new ATOM 0 HA2 GLY A 443 3.807 -6.435 -8.522 1.00 21.31 H new ATOM 0 HA3 GLY A 443 5.450 -6.160 -7.978 1.00 21.31 H new ATOM 1107 N ILE A 444 3.968 -8.741 -7.697 1.00 51.11 N ATOM 1108 CA ILE A 444 4.057 -10.079 -7.227 1.00 74.34 C ATOM 1109 C ILE A 444 5.276 -10.664 -7.876 1.00 34.13 C ATOM 1110 O ILE A 444 5.499 -10.463 -9.080 1.00 55.23 O ATOM 1111 CB ILE A 444 2.821 -10.941 -7.600 1.00 34.12 C ATOM 1112 CG1 ILE A 444 1.513 -10.247 -7.186 1.00 3.53 C ATOM 1113 CG2 ILE A 444 2.927 -12.294 -6.900 1.00 35.31 C ATOM 1114 CD1 ILE A 444 1.373 -10.040 -5.697 1.00 73.24 C ATOM 0 H ILE A 444 3.497 -8.629 -8.595 1.00 51.11 H new ATOM 0 HA ILE A 444 4.107 -10.075 -6.138 1.00 74.34 H new ATOM 0 HB ILE A 444 2.804 -11.076 -8.682 1.00 34.12 H new ATOM 0 HG12 ILE A 444 1.454 -9.279 -7.684 1.00 3.53 H new ATOM 0 HG13 ILE A 444 0.671 -10.841 -7.541 1.00 3.53 H new ATOM 0 HG21 ILE A 444 2.062 -12.905 -7.157 1.00 35.31 H new ATOM 0 HG22 ILE A 444 3.837 -12.800 -7.222 1.00 35.31 H new ATOM 0 HG23 ILE A 444 2.957 -12.144 -5.821 1.00 35.31 H new ATOM 0 HD11 ILE A 444 0.425 -9.545 -5.486 1.00 73.24 H new ATOM 0 HD12 ILE A 444 1.399 -11.005 -5.191 1.00 73.24 H new ATOM 0 HD13 ILE A 444 2.194 -9.420 -5.337 1.00 73.24 H new ATOM 1126 N ILE A 445 6.073 -11.333 -7.124 1.00 2.43 N ATOM 1127 CA ILE A 445 7.260 -11.901 -7.646 1.00 54.24 C ATOM 1128 C ILE A 445 6.974 -13.348 -7.969 1.00 53.21 C ATOM 1129 O ILE A 445 6.167 -13.988 -7.300 1.00 61.32 O ATOM 1130 CB ILE A 445 8.440 -11.758 -6.640 1.00 34.14 C ATOM 1131 CG1 ILE A 445 8.697 -10.274 -6.359 1.00 63.32 C ATOM 1132 CG2 ILE A 445 9.708 -12.421 -7.162 1.00 0.13 C ATOM 1133 CD1 ILE A 445 9.760 -10.023 -5.318 1.00 64.32 C ATOM 0 H ILE A 445 5.920 -11.502 -6.130 1.00 2.43 H new ATOM 0 HA ILE A 445 7.565 -11.375 -8.551 1.00 54.24 H new ATOM 0 HB ILE A 445 8.162 -12.265 -5.716 1.00 34.14 H new ATOM 0 HG12 ILE A 445 8.989 -9.784 -7.288 1.00 63.32 H new ATOM 0 HG13 ILE A 445 7.766 -9.810 -6.033 1.00 63.32 H new ATOM 0 HG21 ILE A 445 10.509 -12.300 -6.432 1.00 0.13 H new ATOM 0 HG22 ILE A 445 9.523 -13.483 -7.325 1.00 0.13 H new ATOM 0 HG23 ILE A 445 10.001 -11.955 -8.103 1.00 0.13 H new ATOM 0 HD11 ILE A 445 9.883 -8.949 -5.176 1.00 64.32 H new ATOM 0 HD12 ILE A 445 9.462 -10.482 -4.375 1.00 64.32 H new ATOM 0 HD13 ILE A 445 10.704 -10.456 -5.650 1.00 64.32 H new ATOM 1145 N ASP A 446 7.550 -13.823 -9.026 1.00 34.13 N ATOM 1146 CA ASP A 446 7.387 -15.194 -9.417 1.00 34.45 C ATOM 1147 C ASP A 446 8.083 -16.122 -8.429 1.00 42.34 C ATOM 1148 O ASP A 446 9.314 -16.281 -8.444 1.00 72.23 O ATOM 1149 CB ASP A 446 7.893 -15.420 -10.858 1.00 63.41 C ATOM 1150 CG ASP A 446 7.985 -16.885 -11.272 1.00 64.40 C ATOM 1151 OD1 ASP A 446 7.008 -17.442 -11.816 1.00 14.54 O ATOM 1152 OD2 ASP A 446 9.062 -17.494 -11.105 1.00 71.23 O ATOM 0 H ASP A 446 8.147 -13.275 -9.645 1.00 34.13 H new ATOM 0 HA ASP A 446 6.323 -15.431 -9.402 1.00 34.45 H new ATOM 0 HB2 ASP A 446 7.228 -14.901 -11.549 1.00 63.41 H new ATOM 0 HB3 ASP A 446 8.878 -14.964 -10.960 1.00 63.41 H new ATOM 1157 N ASP A 447 7.326 -16.605 -7.493 1.00 42.33 N ATOM 1158 CA ASP A 447 7.771 -17.641 -6.626 1.00 13.43 C ATOM 1159 C ASP A 447 6.747 -18.711 -6.757 1.00 31.43 C ATOM 1160 O ASP A 447 5.619 -18.565 -6.331 1.00 63.24 O ATOM 1161 CB ASP A 447 7.991 -17.186 -5.120 1.00 12.45 C ATOM 1162 CG ASP A 447 6.757 -17.168 -4.187 1.00 1.12 C ATOM 1163 OD1 ASP A 447 5.953 -16.249 -4.153 1.00 11.21 O ATOM 1164 OD2 ASP A 447 6.537 -18.080 -3.399 1.00 34.31 O ATOM 0 H ASP A 447 6.374 -16.286 -7.311 1.00 42.33 H new ATOM 0 HA ASP A 447 8.766 -17.981 -6.915 1.00 13.43 H new ATOM 0 HB2 ASP A 447 8.737 -17.845 -4.676 1.00 12.45 H new ATOM 0 HB3 ASP A 447 8.418 -16.183 -5.132 1.00 12.45 H new ATOM 1169 N ASP A 448 7.067 -19.720 -7.483 1.00 14.21 N ATOM 1170 CA ASP A 448 6.115 -20.766 -7.634 1.00 2.24 C ATOM 1171 C ASP A 448 6.537 -21.939 -6.848 1.00 24.40 C ATOM 1172 O ASP A 448 7.303 -22.797 -7.288 1.00 10.31 O ATOM 1173 CB ASP A 448 5.791 -21.120 -9.053 1.00 62.31 C ATOM 1174 CG ASP A 448 4.580 -22.000 -9.081 1.00 44.35 C ATOM 1175 OD1 ASP A 448 3.701 -21.840 -8.193 1.00 24.24 O ATOM 1176 OD2 ASP A 448 4.459 -22.849 -9.992 1.00 24.21 O ATOM 0 H ASP A 448 7.954 -19.846 -7.971 1.00 14.21 H new ATOM 0 HA ASP A 448 5.171 -20.387 -7.241 1.00 2.24 H new ATOM 0 HB2 ASP A 448 5.610 -20.215 -9.633 1.00 62.31 H new ATOM 0 HB3 ASP A 448 6.636 -21.631 -9.514 1.00 62.31 H new ATOM 1181 N ILE A 449 6.084 -21.910 -5.672 1.00 42.14 N ATOM 1182 CA ILE A 449 6.403 -22.806 -4.623 1.00 3.32 C ATOM 1183 C ILE A 449 5.091 -23.254 -4.078 1.00 23.24 C ATOM 1184 O ILE A 449 4.087 -22.651 -4.407 1.00 44.42 O ATOM 1185 CB ILE A 449 7.245 -22.049 -3.528 1.00 2.23 C ATOM 1186 CG1 ILE A 449 8.561 -21.548 -4.129 1.00 4.21 C ATOM 1187 CG2 ILE A 449 7.524 -22.903 -2.298 1.00 35.13 C ATOM 1188 CD1 ILE A 449 9.386 -22.663 -4.745 1.00 44.32 C ATOM 0 H ILE A 449 5.417 -21.197 -5.377 1.00 42.14 H new ATOM 0 HA ILE A 449 7.000 -23.655 -4.957 1.00 3.32 H new ATOM 0 HB ILE A 449 6.643 -21.203 -3.196 1.00 2.23 H new ATOM 0 HG12 ILE A 449 8.346 -20.798 -4.890 1.00 4.21 H new ATOM 0 HG13 ILE A 449 9.146 -21.055 -3.352 1.00 4.21 H new ATOM 0 HG21 ILE A 449 8.107 -22.327 -1.580 1.00 35.13 H new ATOM 0 HG22 ILE A 449 6.581 -23.203 -1.842 1.00 35.13 H new ATOM 0 HG23 ILE A 449 8.084 -23.791 -2.591 1.00 35.13 H new ATOM 0 HD11 ILE A 449 10.307 -22.250 -5.155 1.00 44.32 H new ATOM 0 HD12 ILE A 449 9.628 -23.401 -3.981 1.00 44.32 H new ATOM 0 HD13 ILE A 449 8.816 -23.140 -5.542 1.00 44.32 H new ATOM 1200 N PHE A 450 5.015 -24.386 -3.464 1.00 4.32 N ATOM 1201 CA PHE A 450 3.793 -24.695 -2.787 1.00 23.44 C ATOM 1202 C PHE A 450 3.623 -23.665 -1.690 1.00 50.13 C ATOM 1203 O PHE A 450 4.432 -23.577 -0.757 1.00 41.23 O ATOM 1204 CB PHE A 450 3.825 -26.114 -2.275 1.00 52.45 C ATOM 1205 CG PHE A 450 3.693 -27.079 -3.404 1.00 71.21 C ATOM 1206 CD1 PHE A 450 4.791 -27.431 -4.162 1.00 64.53 C ATOM 1207 CD2 PHE A 450 2.461 -27.597 -3.733 1.00 62.05 C ATOM 1208 CE1 PHE A 450 4.671 -28.285 -5.227 1.00 11.03 C ATOM 1209 CE2 PHE A 450 2.324 -28.454 -4.806 1.00 12.42 C ATOM 1210 CZ PHE A 450 3.435 -28.802 -5.556 1.00 75.02 C ATOM 0 H PHE A 450 5.750 -25.091 -3.413 1.00 4.32 H new ATOM 0 HA PHE A 450 2.932 -24.645 -3.453 1.00 23.44 H new ATOM 0 HB2 PHE A 450 4.759 -26.294 -1.742 1.00 52.45 H new ATOM 0 HB3 PHE A 450 3.016 -26.268 -1.561 1.00 52.45 H new ATOM 0 HD1 PHE A 450 5.761 -27.027 -3.912 1.00 64.53 H new ATOM 0 HD2 PHE A 450 1.594 -27.331 -3.146 1.00 62.05 H new ATOM 0 HE1 PHE A 450 5.542 -28.553 -5.807 1.00 11.03 H new ATOM 0 HE2 PHE A 450 1.353 -28.852 -5.060 1.00 12.42 H new ATOM 0 HZ PHE A 450 3.334 -29.475 -6.395 1.00 75.02 H new ATOM 1220 N GLU A 451 2.596 -22.880 -1.832 1.00 40.41 N ATOM 1221 CA GLU A 451 2.392 -21.711 -1.030 1.00 3.21 C ATOM 1222 C GLU A 451 1.057 -21.785 -0.423 1.00 0.20 C ATOM 1223 O GLU A 451 0.094 -22.177 -1.083 1.00 63.55 O ATOM 1224 CB GLU A 451 2.468 -20.485 -1.930 1.00 51.32 C ATOM 1225 CG GLU A 451 3.788 -20.343 -2.644 1.00 73.13 C ATOM 1226 CD GLU A 451 3.708 -19.482 -3.879 1.00 21.21 C ATOM 1227 OE1 GLU A 451 3.883 -18.258 -3.757 1.00 2.42 O ATOM 1228 OE2 GLU A 451 3.473 -20.025 -5.018 1.00 32.01 O ATOM 0 H GLU A 451 1.862 -23.038 -2.523 1.00 40.41 H new ATOM 0 HA GLU A 451 3.150 -21.646 -0.250 1.00 3.21 H new ATOM 0 HB2 GLU A 451 1.668 -20.537 -2.669 1.00 51.32 H new ATOM 0 HB3 GLU A 451 2.291 -19.592 -1.330 1.00 51.32 H new ATOM 0 HG2 GLU A 451 4.520 -19.916 -1.958 1.00 73.13 H new ATOM 0 HG3 GLU A 451 4.151 -21.332 -2.922 1.00 73.13 H new ATOM 1235 N GLU A 452 0.979 -21.455 0.816 1.00 63.30 N ATOM 1236 CA GLU A 452 -0.261 -21.511 1.495 1.00 22.42 C ATOM 1237 C GLU A 452 -0.534 -20.197 2.205 1.00 62.33 C ATOM 1238 O GLU A 452 0.119 -19.855 3.193 1.00 52.30 O ATOM 1239 CB GLU A 452 -0.301 -22.702 2.440 1.00 52.15 C ATOM 1240 CG GLU A 452 0.076 -24.026 1.753 1.00 32.30 C ATOM 1241 CD GLU A 452 -0.046 -25.219 2.639 1.00 12.11 C ATOM 1242 OE1 GLU A 452 -1.131 -25.821 2.683 1.00 13.43 O ATOM 1243 OE2 GLU A 452 0.936 -25.586 3.294 1.00 15.32 O ATOM 0 H GLU A 452 1.767 -21.141 1.382 1.00 63.30 H new ATOM 0 HA GLU A 452 -1.061 -21.656 0.769 1.00 22.42 H new ATOM 0 HB2 GLU A 452 0.381 -22.523 3.271 1.00 52.15 H new ATOM 0 HB3 GLU A 452 -1.302 -22.790 2.863 1.00 52.15 H new ATOM 0 HG2 GLU A 452 -0.562 -24.166 0.880 1.00 32.30 H new ATOM 0 HG3 GLU A 452 1.102 -23.957 1.391 1.00 32.30 H new ATOM 1250 N ASP A 453 -1.464 -19.456 1.630 1.00 5.03 N ATOM 1251 CA ASP A 453 -1.935 -18.148 2.120 1.00 31.15 C ATOM 1252 C ASP A 453 -0.820 -17.122 2.324 1.00 20.11 C ATOM 1253 O ASP A 453 -0.590 -16.657 3.455 1.00 33.42 O ATOM 1254 CB ASP A 453 -2.795 -18.250 3.395 1.00 20.21 C ATOM 1255 CG ASP A 453 -4.115 -18.952 3.203 1.00 4.34 C ATOM 1256 OD1 ASP A 453 -5.051 -18.352 2.638 1.00 54.24 O ATOM 1257 OD2 ASP A 453 -4.273 -20.091 3.674 1.00 62.10 O ATOM 0 H ASP A 453 -1.938 -19.749 0.776 1.00 5.03 H new ATOM 0 HA ASP A 453 -2.568 -17.784 1.310 1.00 31.15 H new ATOM 0 HB2 ASP A 453 -2.226 -18.776 4.161 1.00 20.21 H new ATOM 0 HB3 ASP A 453 -2.984 -17.245 3.772 1.00 20.21 H new ATOM 1262 N GLU A 454 -0.107 -16.785 1.254 1.00 71.42 N ATOM 1263 CA GLU A 454 0.927 -15.765 1.349 1.00 53.43 C ATOM 1264 C GLU A 454 0.264 -14.407 1.415 1.00 14.51 C ATOM 1265 O GLU A 454 -0.456 -14.013 0.493 1.00 12.50 O ATOM 1266 CB GLU A 454 1.910 -15.778 0.159 1.00 11.30 C ATOM 1267 CG GLU A 454 2.678 -17.066 -0.041 1.00 45.32 C ATOM 1268 CD GLU A 454 3.757 -16.960 -1.122 1.00 42.24 C ATOM 1269 OE1 GLU A 454 3.701 -16.162 -2.043 1.00 63.12 O ATOM 1270 OE2 GLU A 454 4.692 -17.732 -1.158 1.00 54.41 O ATOM 0 H GLU A 454 -0.224 -17.196 0.328 1.00 71.42 H new ATOM 0 HA GLU A 454 1.507 -15.979 2.247 1.00 53.43 H new ATOM 0 HB2 GLU A 454 1.352 -15.564 -0.752 1.00 11.30 H new ATOM 0 HB3 GLU A 454 2.625 -14.967 0.293 1.00 11.30 H new ATOM 0 HG2 GLU A 454 3.143 -17.355 0.901 1.00 45.32 H new ATOM 0 HG3 GLU A 454 1.981 -17.860 -0.309 1.00 45.32 H new ATOM 1277 N ASN A 455 0.459 -13.718 2.495 1.00 61.12 N ATOM 1278 CA ASN A 455 -0.083 -12.405 2.629 1.00 1.34 C ATOM 1279 C ASN A 455 0.895 -11.515 3.309 1.00 74.34 C ATOM 1280 O ASN A 455 1.691 -11.949 4.158 1.00 54.32 O ATOM 1281 CB ASN A 455 -1.430 -12.353 3.383 1.00 3.02 C ATOM 1282 CG ASN A 455 -1.319 -12.534 4.883 1.00 1.55 C ATOM 1283 OD1 ASN A 455 -1.131 -11.579 5.634 1.00 62.00 O ATOM 1284 ND2 ASN A 455 -1.462 -13.724 5.323 1.00 51.15 N ATOM 0 H ASN A 455 0.993 -14.046 3.300 1.00 61.12 H new ATOM 0 HA ASN A 455 -0.280 -12.062 1.614 1.00 1.34 H new ATOM 0 HB2 ASN A 455 -1.909 -11.395 3.180 1.00 3.02 H new ATOM 0 HB3 ASN A 455 -2.085 -13.127 2.984 1.00 3.02 H new ATOM 0 HD21 ASN A 455 -1.422 -13.905 6.326 1.00 51.15 H new ATOM 0 HD22 ASN A 455 -1.617 -14.493 4.672 1.00 51.15 H new ATOM 1291 N PHE A 456 0.883 -10.318 2.909 1.00 14.32 N ATOM 1292 CA PHE A 456 1.679 -9.319 3.507 1.00 74.15 C ATOM 1293 C PHE A 456 0.800 -8.200 3.962 1.00 14.43 C ATOM 1294 O PHE A 456 -0.406 -8.179 3.671 1.00 43.21 O ATOM 1295 CB PHE A 456 2.758 -8.815 2.560 1.00 45.13 C ATOM 1296 CG PHE A 456 2.261 -8.259 1.256 1.00 65.21 C ATOM 1297 CD1 PHE A 456 1.680 -7.011 1.167 1.00 32.12 C ATOM 1298 CD2 PHE A 456 2.406 -8.986 0.128 1.00 71.24 C ATOM 1299 CE1 PHE A 456 1.259 -6.528 -0.046 1.00 51.31 C ATOM 1300 CE2 PHE A 456 1.997 -8.521 -1.084 1.00 40.25 C ATOM 1301 CZ PHE A 456 1.422 -7.287 -1.175 1.00 20.15 C ATOM 0 H PHE A 456 0.307 -9.986 2.136 1.00 14.32 H new ATOM 0 HA PHE A 456 2.193 -9.750 4.366 1.00 74.15 H new ATOM 0 HB2 PHE A 456 3.333 -8.042 3.070 1.00 45.13 H new ATOM 0 HB3 PHE A 456 3.444 -9.635 2.348 1.00 45.13 H new ATOM 0 HD1 PHE A 456 1.556 -6.411 2.057 1.00 32.12 H new ATOM 0 HD2 PHE A 456 2.859 -9.964 0.189 1.00 71.24 H new ATOM 0 HE1 PHE A 456 0.800 -5.552 -0.111 1.00 51.31 H new ATOM 0 HE2 PHE A 456 2.127 -9.126 -1.969 1.00 40.25 H new ATOM 0 HZ PHE A 456 1.097 -6.910 -2.133 1.00 20.15 H new ATOM 1311 N LEU A 457 1.383 -7.275 4.626 1.00 1.21 N ATOM 1312 CA LEU A 457 0.662 -6.176 5.166 1.00 63.21 C ATOM 1313 C LEU A 457 1.251 -4.914 4.558 1.00 73.14 C ATOM 1314 O LEU A 457 2.457 -4.821 4.422 1.00 33.02 O ATOM 1315 CB LEU A 457 0.874 -6.200 6.679 1.00 61.02 C ATOM 1316 CG LEU A 457 0.672 -7.581 7.344 1.00 43.21 C ATOM 1317 CD1 LEU A 457 1.138 -7.574 8.775 1.00 33.43 C ATOM 1318 CD2 LEU A 457 -0.777 -8.028 7.266 1.00 75.23 C ATOM 0 H LEU A 457 2.385 -7.255 4.815 1.00 1.21 H new ATOM 0 HA LEU A 457 -0.405 -6.219 4.949 1.00 63.21 H new ATOM 0 HB2 LEU A 457 1.885 -5.854 6.895 1.00 61.02 H new ATOM 0 HB3 LEU A 457 0.188 -5.488 7.138 1.00 61.02 H new ATOM 0 HG LEU A 457 1.280 -8.295 6.789 1.00 43.21 H new ATOM 0 HD11 LEU A 457 0.982 -8.560 9.213 1.00 33.43 H new ATOM 0 HD12 LEU A 457 2.198 -7.325 8.811 1.00 33.43 H new ATOM 0 HD13 LEU A 457 0.571 -6.833 9.339 1.00 33.43 H new ATOM 0 HD21 LEU A 457 -0.883 -9.002 7.743 1.00 75.23 H new ATOM 0 HD22 LEU A 457 -1.410 -7.303 7.778 1.00 75.23 H new ATOM 0 HD23 LEU A 457 -1.080 -8.100 6.221 1.00 75.23 H new ATOM 1330 N VAL A 458 0.424 -4.000 4.147 1.00 5.32 N ATOM 1331 CA VAL A 458 0.881 -2.754 3.591 1.00 44.12 C ATOM 1332 C VAL A 458 0.679 -1.692 4.630 1.00 2.34 C ATOM 1333 O VAL A 458 -0.430 -1.549 5.174 1.00 75.30 O ATOM 1334 CB VAL A 458 0.108 -2.349 2.304 1.00 24.42 C ATOM 1335 CG1 VAL A 458 0.724 -1.107 1.665 1.00 23.52 C ATOM 1336 CG2 VAL A 458 0.066 -3.489 1.308 1.00 13.11 C ATOM 0 H VAL A 458 -0.591 -4.094 4.186 1.00 5.32 H new ATOM 0 HA VAL A 458 1.929 -2.867 3.313 1.00 44.12 H new ATOM 0 HB VAL A 458 -0.916 -2.115 2.596 1.00 24.42 H new ATOM 0 HG11 VAL A 458 0.165 -0.845 0.767 1.00 23.52 H new ATOM 0 HG12 VAL A 458 0.686 -0.278 2.371 1.00 23.52 H new ATOM 0 HG13 VAL A 458 1.762 -1.311 1.400 1.00 23.52 H new ATOM 0 HG21 VAL A 458 -0.481 -3.175 0.419 1.00 13.11 H new ATOM 0 HG22 VAL A 458 1.083 -3.766 1.030 1.00 13.11 H new ATOM 0 HG23 VAL A 458 -0.434 -4.347 1.758 1.00 13.11 H new ATOM 1346 N HIS A 459 1.718 -0.988 4.930 1.00 64.21 N ATOM 1347 CA HIS A 459 1.665 0.042 5.940 1.00 33.11 C ATOM 1348 C HIS A 459 2.057 1.369 5.344 1.00 3.31 C ATOM 1349 O HIS A 459 2.961 1.440 4.497 1.00 15.21 O ATOM 1350 CB HIS A 459 2.598 -0.281 7.120 1.00 74.23 C ATOM 1351 CG HIS A 459 2.362 -1.620 7.748 1.00 61.33 C ATOM 1352 ND1 HIS A 459 1.306 -1.917 8.581 1.00 54.53 N ATOM 1353 CD2 HIS A 459 3.075 -2.758 7.632 1.00 51.01 C ATOM 1354 CE1 HIS A 459 1.409 -3.194 8.940 1.00 70.20 C ATOM 1355 NE2 HIS A 459 2.472 -3.755 8.390 1.00 72.03 N ATOM 0 H HIS A 459 2.631 -1.101 4.489 1.00 64.21 H new ATOM 0 HA HIS A 459 0.642 0.090 6.312 1.00 33.11 H new ATOM 0 HB2 HIS A 459 3.631 -0.232 6.774 1.00 74.23 H new ATOM 0 HB3 HIS A 459 2.480 0.490 7.882 1.00 74.23 H new ATOM 0 HD1 HIS A 459 0.573 -1.270 8.872 1.00 54.53 H new ATOM 0 HD2 HIS A 459 3.973 -2.876 7.043 1.00 51.01 H new ATOM 0 HE1 HIS A 459 0.717 -3.704 9.593 1.00 70.20 H new ATOM 1363 N LEU A 460 1.375 2.402 5.759 1.00 33.12 N ATOM 1364 CA LEU A 460 1.683 3.741 5.330 1.00 1.12 C ATOM 1365 C LEU A 460 2.568 4.375 6.379 1.00 4.34 C ATOM 1366 O LEU A 460 2.378 4.153 7.577 1.00 32.30 O ATOM 1367 CB LEU A 460 0.401 4.567 5.125 1.00 74.43 C ATOM 1368 CG LEU A 460 -0.577 4.048 4.055 1.00 5.22 C ATOM 1369 CD1 LEU A 460 -1.784 4.951 3.926 1.00 41.20 C ATOM 1370 CD2 LEU A 460 0.111 3.908 2.711 1.00 60.02 C ATOM 0 H LEU A 460 0.588 2.340 6.405 1.00 33.12 H new ATOM 0 HA LEU A 460 2.199 3.712 4.370 1.00 1.12 H new ATOM 0 HB2 LEU A 460 -0.128 4.620 6.076 1.00 74.43 H new ATOM 0 HB3 LEU A 460 0.688 5.585 4.862 1.00 74.43 H new ATOM 0 HG LEU A 460 -0.917 3.064 4.378 1.00 5.22 H new ATOM 0 HD11 LEU A 460 -2.454 4.556 3.162 1.00 41.20 H new ATOM 0 HD12 LEU A 460 -2.308 4.996 4.881 1.00 41.20 H new ATOM 0 HD13 LEU A 460 -1.461 5.952 3.642 1.00 41.20 H new ATOM 0 HD21 LEU A 460 -0.602 3.540 1.974 1.00 60.02 H new ATOM 0 HD22 LEU A 460 0.492 4.879 2.394 1.00 60.02 H new ATOM 0 HD23 LEU A 460 0.939 3.204 2.798 1.00 60.02 H new ATOM 1382 N SER A 461 3.552 5.090 5.954 1.00 11.34 N ATOM 1383 CA SER A 461 4.493 5.723 6.835 1.00 34.15 C ATOM 1384 C SER A 461 4.926 7.026 6.204 1.00 72.11 C ATOM 1385 O SER A 461 4.473 7.334 5.107 1.00 2.11 O ATOM 1386 CB SER A 461 5.712 4.813 7.007 1.00 61.42 C ATOM 1387 OG SER A 461 5.316 3.489 7.367 1.00 63.42 O ATOM 0 H SER A 461 3.735 5.259 4.965 1.00 11.34 H new ATOM 0 HA SER A 461 4.040 5.906 7.809 1.00 34.15 H new ATOM 0 HB2 SER A 461 6.284 4.786 6.079 1.00 61.42 H new ATOM 0 HB3 SER A 461 6.369 5.221 7.775 1.00 61.42 H new ATOM 0 HG SER A 461 6.112 2.926 7.470 1.00 63.42 H new ATOM 1393 N ASN A 462 5.762 7.777 6.922 1.00 45.30 N ATOM 1394 CA ASN A 462 6.386 9.027 6.460 1.00 34.25 C ATOM 1395 C ASN A 462 5.442 9.917 5.670 1.00 54.53 C ATOM 1396 O ASN A 462 5.392 9.872 4.429 1.00 24.52 O ATOM 1397 CB ASN A 462 7.685 8.763 5.678 1.00 40.22 C ATOM 1398 CG ASN A 462 8.390 10.026 5.195 1.00 13.40 C ATOM 1399 OD1 ASN A 462 8.274 11.100 5.923 1.00 15.33 O flip ATOM 1400 ND2 ASN A 462 9.057 10.019 4.152 1.00 33.52 N flip ATOM 0 H ASN A 462 6.035 7.528 7.873 1.00 45.30 H new ATOM 0 HA ASN A 462 6.641 9.578 7.365 1.00 34.25 H new ATOM 0 HB2 ASN A 462 8.369 8.198 6.311 1.00 40.22 H new ATOM 0 HB3 ASN A 462 7.456 8.136 4.816 1.00 40.22 H new ATOM 0 HD21 ASN A 462 9.132 9.164 3.600 1.00 33.52 H new ATOM 0 HD22 ASN A 462 9.532 10.868 3.845 1.00 33.52 H new ATOM 1407 N VAL A 463 4.675 10.679 6.371 1.00 4.32 N ATOM 1408 CA VAL A 463 3.765 11.562 5.726 1.00 64.14 C ATOM 1409 C VAL A 463 4.520 12.797 5.248 1.00 3.44 C ATOM 1410 O VAL A 463 5.370 13.337 5.966 1.00 72.44 O ATOM 1411 CB VAL A 463 2.595 11.955 6.643 1.00 14.01 C ATOM 1412 CG1 VAL A 463 1.632 12.824 5.886 1.00 55.45 C ATOM 1413 CG2 VAL A 463 1.884 10.717 7.178 1.00 51.41 C ATOM 0 H VAL A 463 4.659 10.709 7.390 1.00 4.32 H new ATOM 0 HA VAL A 463 3.330 11.045 4.871 1.00 64.14 H new ATOM 0 HB VAL A 463 2.989 12.510 7.494 1.00 14.01 H new ATOM 0 HG11 VAL A 463 0.803 13.102 6.537 1.00 55.45 H new ATOM 0 HG12 VAL A 463 2.144 13.724 5.546 1.00 55.45 H new ATOM 0 HG13 VAL A 463 1.249 12.278 5.024 1.00 55.45 H new ATOM 0 HG21 VAL A 463 1.060 11.021 7.824 1.00 51.41 H new ATOM 0 HG22 VAL A 463 1.495 10.132 6.345 1.00 51.41 H new ATOM 0 HG23 VAL A 463 2.588 10.111 7.749 1.00 51.41 H new ATOM 1423 N LYS A 464 4.256 13.195 4.039 1.00 34.11 N ATOM 1424 CA LYS A 464 4.901 14.312 3.433 1.00 31.54 C ATOM 1425 C LYS A 464 3.851 15.092 2.641 1.00 74.44 C ATOM 1426 O LYS A 464 2.803 14.549 2.302 1.00 23.51 O ATOM 1427 CB LYS A 464 5.998 13.779 2.502 1.00 42.42 C ATOM 1428 CG LYS A 464 6.921 14.827 1.902 1.00 34.31 C ATOM 1429 CD LYS A 464 7.899 14.205 0.911 1.00 4.51 C ATOM 1430 CE LYS A 464 8.739 13.091 1.539 1.00 3.44 C ATOM 1431 NZ LYS A 464 9.578 13.562 2.660 1.00 32.25 N ATOM 0 H LYS A 464 3.570 12.739 3.437 1.00 34.11 H new ATOM 0 HA LYS A 464 5.351 14.971 4.175 1.00 31.54 H new ATOM 0 HB2 LYS A 464 6.604 13.063 3.057 1.00 42.42 H new ATOM 0 HB3 LYS A 464 5.523 13.231 1.688 1.00 42.42 H new ATOM 0 HG2 LYS A 464 6.328 15.591 1.399 1.00 34.31 H new ATOM 0 HG3 LYS A 464 7.475 15.325 2.698 1.00 34.31 H new ATOM 0 HD2 LYS A 464 7.345 13.804 0.062 1.00 4.51 H new ATOM 0 HD3 LYS A 464 8.560 14.980 0.523 1.00 4.51 H new ATOM 0 HE2 LYS A 464 8.077 12.301 1.895 1.00 3.44 H new ATOM 0 HE3 LYS A 464 9.378 12.651 0.774 1.00 3.44 H new ATOM 0 HZ1 LYS A 464 10.136 12.768 3.033 1.00 32.25 H new ATOM 0 HZ2 LYS A 464 10.220 14.308 2.324 1.00 32.25 H new ATOM 0 HZ3 LYS A 464 8.970 13.942 3.413 1.00 32.25 H new ATOM 1786 N THR A 491 -2.871 -0.741 8.319 1.00 53.03 N ATOM 1787 CA THR A 491 -2.531 -2.068 7.910 1.00 72.40 C ATOM 1788 C THR A 491 -3.529 -2.565 6.870 1.00 10.13 C ATOM 1789 O THR A 491 -4.726 -2.653 7.141 1.00 42.34 O ATOM 1790 CB THR A 491 -2.538 -3.018 9.136 1.00 20.35 C ATOM 1791 OG1 THR A 491 -1.664 -2.500 10.158 1.00 73.13 O ATOM 1792 CG2 THR A 491 -2.084 -4.418 8.749 1.00 32.24 C ATOM 0 HA THR A 491 -1.533 -2.057 7.471 1.00 72.40 H new ATOM 0 HB THR A 491 -3.559 -3.076 9.513 1.00 20.35 H new ATOM 0 HG1 THR A 491 -1.624 -1.523 10.090 1.00 73.13 H new ATOM 0 HG21 THR A 491 -2.099 -5.062 9.629 1.00 32.24 H new ATOM 0 HG22 THR A 491 -2.756 -4.822 7.992 1.00 32.24 H new ATOM 0 HG23 THR A 491 -1.071 -4.374 8.349 1.00 32.24 H new ATOM 1800 N ALA A 492 -3.051 -2.807 5.680 1.00 71.12 N ATOM 1801 CA ALA A 492 -3.860 -3.408 4.647 1.00 14.14 C ATOM 1802 C ALA A 492 -3.286 -4.767 4.328 1.00 65.44 C ATOM 1803 O ALA A 492 -2.147 -4.873 3.876 1.00 40.44 O ATOM 1804 CB ALA A 492 -3.898 -2.538 3.403 1.00 40.14 C ATOM 0 H ALA A 492 -2.094 -2.595 5.397 1.00 71.12 H new ATOM 0 HA ALA A 492 -4.886 -3.508 5.000 1.00 14.14 H new ATOM 0 HB1 ALA A 492 -4.515 -3.017 2.643 1.00 40.14 H new ATOM 0 HB2 ALA A 492 -4.320 -1.565 3.653 1.00 40.14 H new ATOM 0 HB3 ALA A 492 -2.886 -2.407 3.020 1.00 40.14 H new ATOM 1810 N THR A 493 -4.030 -5.791 4.595 1.00 54.22 N ATOM 1811 CA THR A 493 -3.562 -7.128 4.373 1.00 65.32 C ATOM 1812 C THR A 493 -3.825 -7.552 2.938 1.00 5.23 C ATOM 1813 O THR A 493 -4.953 -7.549 2.483 1.00 30.44 O ATOM 1814 CB THR A 493 -4.258 -8.107 5.324 1.00 15.22 C ATOM 1815 OG1 THR A 493 -4.114 -7.637 6.678 1.00 12.21 O ATOM 1816 CG2 THR A 493 -3.650 -9.496 5.198 1.00 42.20 C ATOM 0 H THR A 493 -4.976 -5.729 4.972 1.00 54.22 H new ATOM 0 HA THR A 493 -2.489 -7.144 4.563 1.00 65.32 H new ATOM 0 HB THR A 493 -5.314 -8.165 5.062 1.00 15.22 H new ATOM 0 HG1 THR A 493 -4.560 -8.260 7.290 1.00 12.21 H new ATOM 0 HG21 THR A 493 -4.157 -10.178 5.881 1.00 42.20 H new ATOM 0 HG22 THR A 493 -3.767 -9.853 4.175 1.00 42.20 H new ATOM 0 HG23 THR A 493 -2.590 -9.453 5.448 1.00 42.20 H new ATOM 1824 N VAL A 494 -2.798 -7.893 2.241 1.00 20.52 N ATOM 1825 CA VAL A 494 -2.922 -8.358 0.891 1.00 64.20 C ATOM 1826 C VAL A 494 -2.662 -9.836 0.873 1.00 55.53 C ATOM 1827 O VAL A 494 -1.542 -10.266 1.102 1.00 23.33 O ATOM 1828 CB VAL A 494 -1.933 -7.651 -0.054 1.00 40.42 C ATOM 1829 CG1 VAL A 494 -1.969 -8.257 -1.457 1.00 65.33 C ATOM 1830 CG2 VAL A 494 -2.237 -6.164 -0.124 1.00 51.04 C ATOM 0 H VAL A 494 -1.839 -7.859 2.588 1.00 20.52 H new ATOM 0 HA VAL A 494 -3.929 -8.133 0.538 1.00 64.20 H new ATOM 0 HB VAL A 494 -0.931 -7.793 0.351 1.00 40.42 H new ATOM 0 HG11 VAL A 494 -1.259 -7.734 -2.098 1.00 65.33 H new ATOM 0 HG12 VAL A 494 -1.701 -9.312 -1.404 1.00 65.33 H new ATOM 0 HG13 VAL A 494 -2.972 -8.157 -1.871 1.00 65.33 H new ATOM 0 HG21 VAL A 494 -1.529 -5.679 -0.796 1.00 51.04 H new ATOM 0 HG22 VAL A 494 -3.251 -6.017 -0.497 1.00 51.04 H new ATOM 0 HG23 VAL A 494 -2.150 -5.728 0.871 1.00 51.04 H new ATOM 1840 N THR A 495 -3.690 -10.597 0.643 1.00 61.33 N ATOM 1841 CA THR A 495 -3.584 -12.017 0.583 1.00 12.20 C ATOM 1842 C THR A 495 -3.494 -12.414 -0.877 1.00 63.11 C ATOM 1843 O THR A 495 -4.437 -12.200 -1.653 1.00 61.31 O ATOM 1844 CB THR A 495 -4.812 -12.660 1.237 1.00 75.21 C ATOM 1845 OG1 THR A 495 -4.982 -12.064 2.534 1.00 1.22 O ATOM 1846 CG2 THR A 495 -4.624 -14.166 1.398 1.00 41.52 C ATOM 0 H THR A 495 -4.634 -10.242 0.491 1.00 61.33 H new ATOM 0 HA THR A 495 -2.699 -12.359 1.119 1.00 12.20 H new ATOM 0 HB THR A 495 -5.686 -12.495 0.607 1.00 75.21 H new ATOM 0 HG1 THR A 495 -5.764 -12.457 2.975 1.00 1.22 H new ATOM 0 HG21 THR A 495 -5.511 -14.596 1.865 1.00 41.52 H new ATOM 0 HG22 THR A 495 -4.473 -14.621 0.419 1.00 41.52 H new ATOM 0 HG23 THR A 495 -3.754 -14.359 2.026 1.00 41.52 H new ATOM 1854 N ILE A 496 -2.369 -12.919 -1.262 1.00 4.23 N ATOM 1855 CA ILE A 496 -2.152 -13.286 -2.614 1.00 50.42 C ATOM 1856 C ILE A 496 -2.572 -14.699 -2.811 1.00 32.01 C ATOM 1857 O ILE A 496 -2.090 -15.615 -2.124 1.00 30.51 O ATOM 1858 CB ILE A 496 -0.674 -13.110 -3.073 1.00 53.44 C ATOM 1859 CG1 ILE A 496 -0.215 -11.673 -2.920 1.00 43.44 C ATOM 1860 CG2 ILE A 496 -0.484 -13.550 -4.505 1.00 72.24 C ATOM 1861 CD1 ILE A 496 0.242 -11.327 -1.551 1.00 21.33 C ATOM 0 H ILE A 496 -1.575 -13.087 -0.644 1.00 4.23 H new ATOM 0 HA ILE A 496 -2.750 -12.612 -3.228 1.00 50.42 H new ATOM 0 HB ILE A 496 -0.066 -13.744 -2.428 1.00 53.44 H new ATOM 0 HG12 ILE A 496 0.598 -11.486 -3.621 1.00 43.44 H new ATOM 0 HG13 ILE A 496 -1.034 -11.009 -3.197 1.00 43.44 H new ATOM 0 HG21 ILE A 496 0.559 -13.414 -4.792 1.00 72.24 H new ATOM 0 HG22 ILE A 496 -0.752 -14.602 -4.601 1.00 72.24 H new ATOM 0 HG23 ILE A 496 -1.121 -12.952 -5.157 1.00 72.24 H new ATOM 0 HD11 ILE A 496 0.554 -10.283 -1.524 1.00 21.33 H new ATOM 0 HD12 ILE A 496 -0.574 -11.480 -0.845 1.00 21.33 H new ATOM 0 HD13 ILE A 496 1.083 -11.964 -1.276 1.00 21.33 H new ATOM 1873 N PHE A 497 -3.483 -14.885 -3.701 1.00 25.20 N ATOM 1874 CA PHE A 497 -3.909 -16.164 -4.014 1.00 35.34 C ATOM 1875 C PHE A 497 -3.020 -16.832 -4.956 1.00 34.42 C ATOM 1876 O PHE A 497 -2.982 -16.542 -6.160 1.00 24.20 O ATOM 1877 CB PHE A 497 -5.371 -16.284 -4.346 1.00 34.22 C ATOM 1878 CG PHE A 497 -6.151 -16.413 -3.097 1.00 54.02 C ATOM 1879 CD1 PHE A 497 -6.005 -17.557 -2.328 1.00 41.03 C ATOM 1880 CD2 PHE A 497 -6.982 -15.405 -2.657 1.00 71.21 C ATOM 1881 CE1 PHE A 497 -6.691 -17.694 -1.140 1.00 70.23 C ATOM 1882 CE2 PHE A 497 -7.667 -15.534 -1.466 1.00 4.22 C ATOM 1883 CZ PHE A 497 -7.522 -16.679 -0.707 1.00 43.34 C ATOM 0 H PHE A 497 -3.943 -14.139 -4.223 1.00 25.20 H new ATOM 0 HA PHE A 497 -3.830 -16.725 -3.083 1.00 35.34 H new ATOM 0 HB2 PHE A 497 -5.701 -15.408 -4.905 1.00 34.22 H new ATOM 0 HB3 PHE A 497 -5.540 -17.151 -4.984 1.00 34.22 H new ATOM 0 HD1 PHE A 497 -5.349 -18.347 -2.662 1.00 41.03 H new ATOM 0 HD2 PHE A 497 -7.098 -14.509 -3.248 1.00 71.21 H new ATOM 0 HE1 PHE A 497 -6.579 -18.592 -0.550 1.00 70.23 H new ATOM 0 HE2 PHE A 497 -8.316 -14.740 -1.127 1.00 4.22 H new ATOM 0 HZ PHE A 497 -8.058 -16.781 0.225 1.00 43.34 H new ATOM 1893 N ASP A 498 -2.228 -17.643 -4.348 1.00 33.02 N ATOM 1894 CA ASP A 498 -1.317 -18.538 -4.959 1.00 51.34 C ATOM 1895 C ASP A 498 -2.026 -19.342 -6.033 1.00 64.31 C ATOM 1896 O ASP A 498 -1.591 -19.397 -7.193 1.00 35.31 O ATOM 1897 CB ASP A 498 -0.784 -19.431 -3.836 1.00 4.34 C ATOM 1898 CG ASP A 498 -0.142 -20.674 -4.307 1.00 30.41 C ATOM 1899 OD1 ASP A 498 0.968 -20.611 -4.848 1.00 60.32 O ATOM 1900 OD2 ASP A 498 -0.745 -21.735 -4.138 1.00 22.51 O ATOM 0 H ASP A 498 -2.201 -17.700 -3.330 1.00 33.02 H new ATOM 0 HA ASP A 498 -0.495 -18.019 -5.452 1.00 51.34 H new ATOM 0 HB2 ASP A 498 -0.064 -18.864 -3.246 1.00 4.34 H new ATOM 0 HB3 ASP A 498 -1.608 -19.690 -3.170 1.00 4.34 H new ATOM 1905 N ASP A 499 -3.133 -19.938 -5.621 1.00 2.35 N ATOM 1906 CA ASP A 499 -4.051 -20.741 -6.457 1.00 54.20 C ATOM 1907 C ASP A 499 -3.374 -22.024 -6.954 1.00 61.15 C ATOM 1908 O ASP A 499 -3.935 -22.808 -7.706 1.00 2.24 O ATOM 1909 CB ASP A 499 -4.630 -19.902 -7.616 1.00 32.33 C ATOM 1910 CG ASP A 499 -5.722 -20.607 -8.402 1.00 24.35 C ATOM 1911 OD1 ASP A 499 -6.829 -20.810 -7.848 1.00 52.54 O ATOM 1912 OD2 ASP A 499 -5.510 -20.922 -9.592 1.00 41.14 O ATOM 0 H ASP A 499 -3.443 -19.881 -4.651 1.00 2.35 H new ATOM 0 HA ASP A 499 -4.891 -21.047 -5.834 1.00 54.20 H new ATOM 0 HB2 ASP A 499 -5.029 -18.971 -7.213 1.00 32.33 H new ATOM 0 HB3 ASP A 499 -3.822 -19.634 -8.296 1.00 32.33 H new