USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 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 390 SER OG : rot -64:sc= 0.659 USER MOD Set 1.2: A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 342 ASN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 349 TYR OH : rot 30:sc= -0.201 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 355 LYS NZ :NH3+ -143:sc= 1.26 (180deg=0.423) USER MOD Single : A 358 LYS NZ :NH3+ -163:sc= -1.44 (180deg=-2.32!) USER MOD Single : A 359 SER OG : rot 180:sc= 0 USER MOD Single : A 360 THR OG1 : rot -51:sc= 0.318 USER MOD Single : A 365 MET CE :methyl 143:sc= -0.593 (180deg=-1.36) USER MOD Single : A 368 ASN : amide:sc= -0.0361 X(o=-0.036,f=-0.41) USER MOD Single : A 371 TYR OH : rot 165:sc= 0.202 USER MOD Single : A 372 ASN : amide:sc= -0.0345 X(o=-0.035,f=0) USER MOD Single : A 376 SER OG : rot 80:sc= 0.743 USER MOD Single : A 377 ASN : amide:sc= 0.83 K(o=0.83,f=0) USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 ASN : amide:sc= 0.634 K(o=0.63,f=-0.018) USER MOD Single : A 385 THR OG1 : rot 180:sc=0.000372 USER MOD Single : A 386 SER OG : rot 180:sc= 0 USER MOD Single : A 387 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 389 GLN : amide:sc= -2.67! K(o=-2.7!,f=-0.11) USER MOD Single : A 395 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 396 SER OG : rot 180:sc= 0.00152 USER MOD Single : A 399 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 400 ASN : amide:sc= 0.0891 X(o=0.089,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -1.025 -15.253 10.668 1.00 72.25 N ATOM 2 CA ASN A 342 -0.743 -13.963 10.010 1.00 33.54 C ATOM 3 C ASN A 342 -0.993 -12.842 10.989 1.00 23.14 C ATOM 4 O ASN A 342 -1.953 -12.897 11.756 1.00 51.31 O ATOM 5 CB ASN A 342 -1.617 -13.736 8.770 1.00 13.45 C ATOM 6 CG ASN A 342 -1.494 -14.814 7.721 1.00 34.11 C ATOM 7 OD1 ASN A 342 -0.633 -14.754 6.852 1.00 55.20 O ATOM 8 ND2 ASN A 342 -2.380 -15.777 7.765 1.00 42.11 N ATOM 0 HA ASN A 342 0.298 -13.981 9.688 1.00 33.54 H new ATOM 0 HB2 ASN A 342 -2.659 -13.665 9.082 1.00 13.45 H new ATOM 0 HB3 ASN A 342 -1.352 -12.778 8.323 1.00 13.45 H new ATOM 0 HD21 ASN A 342 -2.369 -16.513 7.059 1.00 42.11 H new ATOM 0 HD22 ASN A 342 -3.081 -15.791 8.505 1.00 42.11 H new ATOM 17 N PRO A 343 -0.153 -11.790 10.962 1.00 32.33 N ATOM 18 CA PRO A 343 -0.231 -10.670 11.919 1.00 54.13 C ATOM 19 C PRO A 343 -1.567 -9.906 11.878 1.00 30.33 C ATOM 20 O PRO A 343 -2.040 -9.412 12.895 1.00 11.52 O ATOM 21 CB PRO A 343 0.933 -9.754 11.495 1.00 40.44 C ATOM 22 CG PRO A 343 1.240 -10.145 10.088 1.00 21.44 C ATOM 23 CD PRO A 343 0.962 -11.608 10.001 1.00 32.22 C ATOM 0 HA PRO A 343 -0.167 -11.028 12.946 1.00 54.13 H new ATOM 0 HB2 PRO A 343 0.652 -8.703 11.560 1.00 40.44 H new ATOM 0 HB3 PRO A 343 1.800 -9.893 12.141 1.00 40.44 H new ATOM 0 HG2 PRO A 343 0.622 -9.587 9.384 1.00 21.44 H new ATOM 0 HG3 PRO A 343 2.279 -9.929 9.840 1.00 21.44 H new ATOM 0 HD2 PRO A 343 0.678 -11.906 8.992 1.00 32.22 H new ATOM 0 HD3 PRO A 343 1.834 -12.202 10.276 1.00 32.22 H new ATOM 31 N TRP A 344 -2.162 -9.839 10.715 1.00 60.41 N ATOM 32 CA TRP A 344 -3.407 -9.108 10.521 1.00 15.03 C ATOM 33 C TRP A 344 -4.660 -9.966 10.796 1.00 61.01 C ATOM 34 O TRP A 344 -5.674 -9.452 11.275 1.00 14.43 O ATOM 35 CB TRP A 344 -3.443 -8.547 9.096 1.00 74.23 C ATOM 36 CG TRP A 344 -3.133 -9.580 8.049 1.00 23.24 C ATOM 37 CD1 TRP A 344 -3.941 -10.583 7.612 1.00 13.53 C ATOM 38 CD2 TRP A 344 -1.926 -9.695 7.288 1.00 52.14 C ATOM 39 NE1 TRP A 344 -3.295 -11.320 6.681 1.00 74.24 N ATOM 40 CE2 TRP A 344 -2.072 -10.793 6.455 1.00 2.40 C ATOM 41 CE3 TRP A 344 -0.740 -8.983 7.239 1.00 23.01 C ATOM 42 CZ2 TRP A 344 -1.091 -11.189 5.594 1.00 24.22 C ATOM 43 CZ3 TRP A 344 0.235 -9.382 6.372 1.00 63.02 C ATOM 44 CH2 TRP A 344 0.049 -10.473 5.564 1.00 24.43 C ATOM 0 H TRP A 344 -1.805 -10.286 9.871 1.00 60.41 H new ATOM 0 HA TRP A 344 -3.430 -8.296 11.248 1.00 15.03 H new ATOM 0 HB2 TRP A 344 -4.430 -8.126 8.902 1.00 74.23 H new ATOM 0 HB3 TRP A 344 -2.726 -7.730 9.015 1.00 74.23 H new ATOM 0 HD1 TRP A 344 -4.948 -10.764 7.957 1.00 13.53 H new ATOM 0 HE1 TRP A 344 -3.673 -12.147 6.220 1.00 74.24 H new ATOM 0 HE3 TRP A 344 -0.589 -8.125 7.877 1.00 23.01 H new ATOM 0 HZ2 TRP A 344 -1.224 -12.050 4.956 1.00 24.22 H new ATOM 0 HZ3 TRP A 344 1.163 -8.832 6.322 1.00 63.02 H new ATOM 0 HH2 TRP A 344 0.837 -10.766 4.886 1.00 24.43 H new ATOM 55 N GLY A 345 -4.579 -11.258 10.517 1.00 63.33 N ATOM 56 CA GLY A 345 -5.736 -12.115 10.649 1.00 20.41 C ATOM 57 C GLY A 345 -5.569 -13.415 9.882 1.00 51.21 C ATOM 58 O GLY A 345 -4.469 -13.959 9.830 1.00 45.24 O ATOM 0 H GLY A 345 -3.731 -11.728 10.201 1.00 63.33 H new ATOM 0 HA2 GLY A 345 -5.906 -12.335 11.703 1.00 20.41 H new ATOM 0 HA3 GLY A 345 -6.620 -11.590 10.286 1.00 20.41 H new ATOM 62 N ALA A 346 -6.638 -13.897 9.264 1.00 51.15 N ATOM 63 CA ALA A 346 -6.612 -15.192 8.584 1.00 5.52 C ATOM 64 C ALA A 346 -6.225 -15.100 7.109 1.00 73.43 C ATOM 65 O ALA A 346 -5.770 -16.089 6.526 1.00 14.45 O ATOM 66 CB ALA A 346 -7.939 -15.911 8.733 1.00 42.42 C ATOM 0 H ALA A 346 -7.535 -13.414 9.217 1.00 51.15 H new ATOM 0 HA ALA A 346 -5.829 -15.769 9.077 1.00 5.52 H new ATOM 0 HB1 ALA A 346 -7.893 -16.871 8.218 1.00 42.42 H new ATOM 0 HB2 ALA A 346 -8.147 -16.076 9.790 1.00 42.42 H new ATOM 0 HB3 ALA A 346 -8.733 -15.304 8.298 1.00 42.42 H new ATOM 72 N GLU A 347 -6.413 -13.932 6.496 1.00 43.02 N ATOM 73 CA GLU A 347 -6.038 -13.747 5.085 1.00 34.53 C ATOM 74 C GLU A 347 -4.538 -13.920 4.915 1.00 1.55 C ATOM 75 O GLU A 347 -3.790 -13.784 5.868 1.00 35.22 O ATOM 76 CB GLU A 347 -6.485 -12.374 4.572 1.00 54.24 C ATOM 77 CG GLU A 347 -7.993 -12.184 4.591 1.00 50.45 C ATOM 78 CD GLU A 347 -8.430 -10.840 4.070 1.00 5.14 C ATOM 79 OE1 GLU A 347 -8.466 -9.874 4.855 1.00 22.35 O ATOM 80 OE2 GLU A 347 -8.775 -10.735 2.873 1.00 61.54 O ATOM 0 H GLU A 347 -6.816 -13.108 6.942 1.00 43.02 H new ATOM 0 HA GLU A 347 -6.548 -14.507 4.492 1.00 34.53 H new ATOM 0 HB2 GLU A 347 -6.021 -11.598 5.181 1.00 54.24 H new ATOM 0 HB3 GLU A 347 -6.122 -12.239 3.553 1.00 54.24 H new ATOM 0 HG2 GLU A 347 -8.459 -12.967 3.992 1.00 50.45 H new ATOM 0 HG3 GLU A 347 -8.355 -12.306 5.612 1.00 50.45 H new ATOM 87 N SER A 348 -4.099 -14.212 3.732 1.00 62.45 N ATOM 88 CA SER A 348 -2.699 -14.426 3.511 1.00 60.25 C ATOM 89 C SER A 348 -2.053 -13.167 2.999 1.00 34.13 C ATOM 90 O SER A 348 -2.757 -12.228 2.578 1.00 65.50 O ATOM 91 CB SER A 348 -2.484 -15.575 2.535 1.00 24.23 C ATOM 92 OG SER A 348 -3.007 -16.789 3.055 1.00 1.22 O ATOM 0 H SER A 348 -4.686 -14.308 2.904 1.00 62.45 H new ATOM 0 HA SER A 348 -2.233 -14.692 4.460 1.00 60.25 H new ATOM 0 HB2 SER A 348 -2.966 -15.345 1.585 1.00 24.23 H new ATOM 0 HB3 SER A 348 -1.419 -15.691 2.333 1.00 24.23 H new ATOM 0 HG SER A 348 -2.859 -17.512 2.410 1.00 1.22 H new ATOM 98 N TYR A 349 -0.725 -13.139 3.045 1.00 51.41 N ATOM 99 CA TYR A 349 0.064 -12.022 2.565 1.00 22.32 C ATOM 100 C TYR A 349 -0.310 -11.697 1.166 1.00 21.34 C ATOM 101 O TYR A 349 -0.877 -10.662 0.912 1.00 52.20 O ATOM 102 CB TYR A 349 1.572 -12.326 2.640 1.00 21.32 C ATOM 103 CG TYR A 349 2.118 -12.463 4.036 1.00 63.53 C ATOM 104 CD1 TYR A 349 1.821 -13.567 4.826 1.00 73.43 C ATOM 105 CD2 TYR A 349 2.921 -11.472 4.573 1.00 22.34 C ATOM 106 CE1 TYR A 349 2.309 -13.677 6.108 1.00 51.21 C ATOM 107 CE2 TYR A 349 3.408 -11.573 5.853 1.00 35.32 C ATOM 108 CZ TYR A 349 3.101 -12.678 6.618 1.00 74.23 C ATOM 109 OH TYR A 349 3.582 -12.780 7.903 1.00 64.40 O ATOM 0 H TYR A 349 -0.165 -13.903 3.422 1.00 51.41 H new ATOM 0 HA TYR A 349 -0.145 -11.167 3.208 1.00 22.32 H new ATOM 0 HB2 TYR A 349 1.770 -13.249 2.095 1.00 21.32 H new ATOM 0 HB3 TYR A 349 2.115 -11.531 2.129 1.00 21.32 H new ATOM 0 HD1 TYR A 349 1.196 -14.352 4.427 1.00 73.43 H new ATOM 0 HD2 TYR A 349 3.168 -10.606 3.977 1.00 22.34 H new ATOM 0 HE1 TYR A 349 2.071 -14.543 6.708 1.00 51.21 H new ATOM 0 HE2 TYR A 349 4.030 -10.789 6.259 1.00 35.32 H new ATOM 0 HH TYR A 349 3.699 -13.725 8.134 1.00 64.40 H new ATOM 119 N SER A 350 -0.037 -12.615 0.278 1.00 21.54 N ATOM 120 CA SER A 350 -0.309 -12.446 -1.140 1.00 1.34 C ATOM 121 C SER A 350 -1.789 -12.051 -1.417 1.00 11.01 C ATOM 122 O SER A 350 -2.069 -11.352 -2.399 1.00 34.12 O ATOM 123 CB SER A 350 0.077 -13.704 -1.892 1.00 31.31 C ATOM 124 OG SER A 350 1.432 -14.078 -1.588 1.00 2.01 O ATOM 0 H SER A 350 0.385 -13.514 0.512 1.00 21.54 H new ATOM 0 HA SER A 350 0.300 -11.617 -1.501 1.00 1.34 H new ATOM 0 HB2 SER A 350 -0.599 -14.516 -1.625 1.00 31.31 H new ATOM 0 HB3 SER A 350 -0.029 -13.541 -2.964 1.00 31.31 H new ATOM 0 HG SER A 350 1.665 -14.893 -2.080 1.00 2.01 H new ATOM 130 N ASP A 351 -2.719 -12.484 -0.544 1.00 10.40 N ATOM 131 CA ASP A 351 -4.133 -12.083 -0.664 1.00 42.22 C ATOM 132 C ASP A 351 -4.302 -10.605 -0.421 1.00 2.51 C ATOM 133 O ASP A 351 -4.929 -9.905 -1.217 1.00 24.31 O ATOM 134 CB ASP A 351 -5.067 -12.879 0.271 1.00 22.33 C ATOM 135 CG ASP A 351 -5.276 -14.297 -0.165 1.00 44.21 C ATOM 136 OD1 ASP A 351 -5.981 -14.525 -1.177 1.00 13.32 O ATOM 137 OD2 ASP A 351 -4.749 -15.203 0.473 1.00 34.43 O ATOM 0 H ASP A 351 -2.520 -13.103 0.242 1.00 10.40 H new ATOM 0 HA ASP A 351 -4.424 -12.316 -1.688 1.00 42.22 H new ATOM 0 HB2 ASP A 351 -4.651 -12.874 1.279 1.00 22.33 H new ATOM 0 HB3 ASP A 351 -6.033 -12.376 0.322 1.00 22.33 H new ATOM 142 N LEU A 352 -3.749 -10.120 0.673 1.00 31.05 N ATOM 143 CA LEU A 352 -3.828 -8.714 0.990 1.00 10.30 C ATOM 144 C LEU A 352 -2.909 -7.867 0.114 1.00 55.25 C ATOM 145 O LEU A 352 -3.268 -6.750 -0.260 1.00 4.35 O ATOM 146 CB LEU A 352 -3.527 -8.456 2.446 1.00 62.20 C ATOM 147 CG LEU A 352 -4.500 -9.002 3.480 1.00 34.34 C ATOM 148 CD1 LEU A 352 -4.100 -8.508 4.834 1.00 31.31 C ATOM 149 CD2 LEU A 352 -5.910 -8.576 3.171 1.00 10.32 C ATOM 0 H LEU A 352 -3.240 -10.682 1.356 1.00 31.05 H new ATOM 0 HA LEU A 352 -4.856 -8.416 0.784 1.00 10.30 H new ATOM 0 HB2 LEU A 352 -2.542 -8.869 2.662 1.00 62.20 H new ATOM 0 HB3 LEU A 352 -3.458 -7.377 2.588 1.00 62.20 H new ATOM 0 HG LEU A 352 -4.467 -10.091 3.457 1.00 34.34 H new ATOM 0 HD11 LEU A 352 -4.792 -8.895 5.582 1.00 31.31 H new ATOM 0 HD12 LEU A 352 -3.091 -8.850 5.063 1.00 31.31 H new ATOM 0 HD13 LEU A 352 -4.125 -7.418 4.846 1.00 31.31 H new ATOM 0 HD21 LEU A 352 -6.586 -8.980 3.925 1.00 10.32 H new ATOM 0 HD22 LEU A 352 -5.970 -7.488 3.175 1.00 10.32 H new ATOM 0 HD23 LEU A 352 -6.197 -8.952 2.189 1.00 10.32 H new ATOM 161 N ILE A 353 -1.738 -8.402 -0.220 1.00 73.13 N ATOM 162 CA ILE A 353 -0.780 -7.702 -1.074 1.00 23.12 C ATOM 163 C ILE A 353 -1.428 -7.398 -2.420 1.00 64.24 C ATOM 164 O ILE A 353 -1.260 -6.316 -2.974 1.00 2.14 O ATOM 165 CB ILE A 353 0.516 -8.540 -1.298 1.00 13.02 C ATOM 166 CG1 ILE A 353 1.244 -8.804 0.023 1.00 61.03 C ATOM 167 CG2 ILE A 353 1.444 -7.832 -2.254 1.00 5.13 C ATOM 168 CD1 ILE A 353 2.426 -9.742 -0.113 1.00 72.25 C ATOM 0 H ILE A 353 -1.427 -9.323 0.089 1.00 73.13 H new ATOM 0 HA ILE A 353 -0.497 -6.776 -0.573 1.00 23.12 H new ATOM 0 HB ILE A 353 0.218 -9.497 -1.726 1.00 13.02 H new ATOM 0 HG12 ILE A 353 1.589 -7.855 0.434 1.00 61.03 H new ATOM 0 HG13 ILE A 353 0.538 -9.224 0.740 1.00 61.03 H new ATOM 0 HG21 ILE A 353 2.343 -8.431 -2.399 1.00 5.13 H new ATOM 0 HG22 ILE A 353 0.943 -7.693 -3.212 1.00 5.13 H new ATOM 0 HG23 ILE A 353 1.718 -6.860 -1.843 1.00 5.13 H new ATOM 0 HD11 ILE A 353 2.893 -9.883 0.862 1.00 72.25 H new ATOM 0 HD12 ILE A 353 2.085 -10.704 -0.494 1.00 72.25 H new ATOM 0 HD13 ILE A 353 3.152 -9.315 -0.805 1.00 72.25 H new ATOM 180 N ALA A 354 -2.189 -8.361 -2.927 1.00 3.32 N ATOM 181 CA ALA A 354 -2.909 -8.165 -4.170 1.00 45.04 C ATOM 182 C ALA A 354 -3.891 -7.001 -4.071 1.00 32.40 C ATOM 183 O ALA A 354 -4.011 -6.239 -5.001 1.00 60.12 O ATOM 184 CB ALA A 354 -3.613 -9.429 -4.631 1.00 12.23 C ATOM 0 H ALA A 354 -2.320 -9.277 -2.497 1.00 3.32 H new ATOM 0 HA ALA A 354 -2.164 -7.915 -4.925 1.00 45.04 H new ATOM 0 HB1 ALA A 354 -4.138 -9.233 -5.566 1.00 12.23 H new ATOM 0 HB2 ALA A 354 -2.878 -10.219 -4.787 1.00 12.23 H new ATOM 0 HB3 ALA A 354 -4.329 -9.744 -3.872 1.00 12.23 H new ATOM 190 N LYS A 355 -4.569 -6.851 -2.925 1.00 55.52 N ATOM 191 CA LYS A 355 -5.520 -5.736 -2.743 1.00 73.02 C ATOM 192 C LYS A 355 -4.783 -4.420 -2.775 1.00 32.23 C ATOM 193 O LYS A 355 -5.296 -3.424 -3.301 1.00 34.41 O ATOM 194 CB LYS A 355 -6.262 -5.813 -1.416 1.00 42.10 C ATOM 195 CG LYS A 355 -7.053 -7.025 -1.175 1.00 62.12 C ATOM 196 CD LYS A 355 -7.740 -6.903 0.155 1.00 3.44 C ATOM 197 CE LYS A 355 -8.374 -8.181 0.500 1.00 0.42 C ATOM 198 NZ LYS A 355 -9.068 -8.153 1.800 1.00 63.32 N ATOM 0 H LYS A 355 -4.483 -7.473 -2.121 1.00 55.52 H new ATOM 0 HA LYS A 355 -6.242 -5.811 -3.557 1.00 73.02 H new ATOM 0 HB2 LYS A 355 -5.533 -5.717 -0.612 1.00 42.10 H new ATOM 0 HB3 LYS A 355 -6.928 -4.953 -1.347 1.00 42.10 H new ATOM 0 HG2 LYS A 355 -7.789 -7.159 -1.968 1.00 62.12 H new ATOM 0 HG3 LYS A 355 -6.408 -7.904 -1.187 1.00 62.12 H new ATOM 0 HD2 LYS A 355 -7.019 -6.624 0.924 1.00 3.44 H new ATOM 0 HD3 LYS A 355 -8.489 -6.112 0.118 1.00 3.44 H new ATOM 0 HE2 LYS A 355 -9.088 -8.447 -0.280 1.00 0.42 H new ATOM 0 HE3 LYS A 355 -7.615 -8.963 0.518 1.00 0.42 H new ATOM 0 HZ1 LYS A 355 -8.945 -9.068 2.279 1.00 63.32 H new ATOM 0 HZ2 LYS A 355 -8.668 -7.397 2.391 1.00 63.32 H new ATOM 0 HZ3 LYS A 355 -10.081 -7.975 1.649 1.00 63.32 H new ATOM 212 N ALA A 356 -3.587 -4.416 -2.190 1.00 64.34 N ATOM 213 CA ALA A 356 -2.744 -3.242 -2.177 1.00 42.00 C ATOM 214 C ALA A 356 -2.435 -2.842 -3.589 1.00 71.43 C ATOM 215 O ALA A 356 -2.704 -1.712 -3.992 1.00 63.34 O ATOM 216 CB ALA A 356 -1.456 -3.512 -1.405 1.00 12.44 C ATOM 0 H ALA A 356 -3.185 -5.225 -1.717 1.00 64.34 H new ATOM 0 HA ALA A 356 -3.270 -2.429 -1.677 1.00 42.00 H new ATOM 0 HB1 ALA A 356 -0.836 -2.616 -1.407 1.00 12.44 H new ATOM 0 HB2 ALA A 356 -1.698 -3.783 -0.377 1.00 12.44 H new ATOM 0 HB3 ALA A 356 -0.913 -4.330 -1.878 1.00 12.44 H new ATOM 222 N LEU A 357 -1.932 -3.795 -4.354 1.00 23.55 N ATOM 223 CA LEU A 357 -1.631 -3.581 -5.761 1.00 2.42 C ATOM 224 C LEU A 357 -2.867 -3.137 -6.509 1.00 45.45 C ATOM 225 O LEU A 357 -2.805 -2.231 -7.320 1.00 23.23 O ATOM 226 CB LEU A 357 -1.091 -4.863 -6.412 1.00 2.51 C ATOM 227 CG LEU A 357 0.411 -5.114 -6.355 1.00 73.51 C ATOM 228 CD1 LEU A 357 1.123 -4.112 -7.235 1.00 5.53 C ATOM 229 CD2 LEU A 357 0.931 -5.033 -4.940 1.00 2.54 C ATOM 0 H LEU A 357 -1.721 -4.736 -4.020 1.00 23.55 H new ATOM 0 HA LEU A 357 -0.870 -2.803 -5.816 1.00 2.42 H new ATOM 0 HB2 LEU A 357 -1.590 -5.711 -5.944 1.00 2.51 H new ATOM 0 HB3 LEU A 357 -1.389 -4.857 -7.460 1.00 2.51 H new ATOM 0 HG LEU A 357 0.606 -6.123 -6.719 1.00 73.51 H new ATOM 0 HD11 LEU A 357 2.197 -4.291 -7.195 1.00 5.53 H new ATOM 0 HD12 LEU A 357 0.776 -4.219 -8.263 1.00 5.53 H new ATOM 0 HD13 LEU A 357 0.910 -3.103 -6.883 1.00 5.53 H new ATOM 0 HD21 LEU A 357 2.005 -5.217 -4.936 1.00 2.54 H new ATOM 0 HD22 LEU A 357 0.731 -4.041 -4.535 1.00 2.54 H new ATOM 0 HD23 LEU A 357 0.432 -5.783 -4.326 1.00 2.54 H new ATOM 241 N LYS A 358 -4.009 -3.764 -6.196 1.00 53.34 N ATOM 242 CA LYS A 358 -5.260 -3.461 -6.844 1.00 33.42 C ATOM 243 C LYS A 358 -5.780 -2.050 -6.555 1.00 25.03 C ATOM 244 O LYS A 358 -6.815 -1.637 -7.087 1.00 21.21 O ATOM 245 CB LYS A 358 -6.329 -4.523 -6.596 1.00 44.05 C ATOM 246 CG LYS A 358 -5.991 -5.881 -7.206 1.00 54.54 C ATOM 247 CD LYS A 358 -7.150 -6.872 -7.146 1.00 31.43 C ATOM 248 CE LYS A 358 -8.201 -6.658 -8.263 1.00 75.14 C ATOM 249 NZ LYS A 358 -8.845 -5.323 -8.268 1.00 71.41 N ATOM 0 H LYS A 358 -4.075 -4.492 -5.485 1.00 53.34 H new ATOM 0 HA LYS A 358 -5.032 -3.482 -7.910 1.00 33.42 H new ATOM 0 HB2 LYS A 358 -6.470 -4.641 -5.522 1.00 44.05 H new ATOM 0 HB3 LYS A 358 -7.277 -4.175 -7.006 1.00 44.05 H new ATOM 0 HG2 LYS A 358 -5.694 -5.741 -8.245 1.00 54.54 H new ATOM 0 HG3 LYS A 358 -5.133 -6.303 -6.683 1.00 54.54 H new ATOM 0 HD2 LYS A 358 -6.756 -7.886 -7.218 1.00 31.43 H new ATOM 0 HD3 LYS A 358 -7.640 -6.789 -6.176 1.00 31.43 H new ATOM 0 HE2 LYS A 358 -7.721 -6.817 -9.229 1.00 75.14 H new ATOM 0 HE3 LYS A 358 -8.976 -7.418 -8.163 1.00 75.14 H new ATOM 0 HZ1 LYS A 358 -9.713 -5.359 -8.839 1.00 71.41 H new ATOM 0 HZ2 LYS A 358 -9.083 -5.049 -7.293 1.00 71.41 H new ATOM 0 HZ3 LYS A 358 -8.191 -4.624 -8.675 1.00 71.41 H new ATOM 263 N SER A 359 -5.093 -1.331 -5.691 1.00 63.35 N ATOM 264 CA SER A 359 -5.397 0.047 -5.446 1.00 53.32 C ATOM 265 C SER A 359 -4.845 0.943 -6.606 1.00 31.35 C ATOM 266 O SER A 359 -5.311 2.071 -6.805 1.00 62.03 O ATOM 267 CB SER A 359 -4.839 0.467 -4.052 1.00 43.04 C ATOM 268 OG SER A 359 -5.064 1.841 -3.758 1.00 53.02 O ATOM 0 H SER A 359 -4.311 -1.693 -5.144 1.00 63.35 H new ATOM 0 HA SER A 359 -6.478 0.188 -5.425 1.00 53.32 H new ATOM 0 HB2 SER A 359 -5.304 -0.146 -3.280 1.00 43.04 H new ATOM 0 HB3 SER A 359 -3.769 0.264 -4.018 1.00 43.04 H new ATOM 0 HG SER A 359 -4.697 2.051 -2.874 1.00 53.02 H new ATOM 274 N THR A 360 -3.890 0.419 -7.382 1.00 2.54 N ATOM 275 CA THR A 360 -3.262 1.178 -8.475 1.00 53.53 C ATOM 276 C THR A 360 -2.682 0.166 -9.515 1.00 44.42 C ATOM 277 O THR A 360 -1.660 0.417 -10.185 1.00 33.52 O ATOM 278 CB THR A 360 -2.117 2.067 -7.873 1.00 73.15 C ATOM 279 OG1 THR A 360 -1.565 2.938 -8.874 1.00 54.14 O ATOM 280 CG2 THR A 360 -1.003 1.199 -7.302 1.00 13.34 C ATOM 0 H THR A 360 -3.533 -0.530 -7.275 1.00 2.54 H new ATOM 0 HA THR A 360 -3.988 1.821 -8.972 1.00 53.53 H new ATOM 0 HB THR A 360 -2.554 2.667 -7.075 1.00 73.15 H new ATOM 0 HG1 THR A 360 -1.327 2.415 -9.668 1.00 54.14 H new ATOM 0 HG21 THR A 360 -0.220 1.836 -6.890 1.00 13.34 H new ATOM 0 HG22 THR A 360 -1.405 0.563 -6.514 1.00 13.34 H new ATOM 0 HG23 THR A 360 -0.585 0.576 -8.093 1.00 13.34 H new ATOM 288 N PHE A 361 -3.428 -0.908 -9.706 1.00 53.30 N ATOM 289 CA PHE A 361 -3.019 -2.114 -10.454 1.00 32.10 C ATOM 290 C PHE A 361 -2.699 -1.835 -11.912 1.00 24.02 C ATOM 291 O PHE A 361 -2.010 -2.622 -12.566 1.00 21.53 O ATOM 292 CB PHE A 361 -4.166 -3.085 -10.406 1.00 30.01 C ATOM 293 CG PHE A 361 -3.803 -4.530 -10.554 1.00 64.12 C ATOM 294 CD1 PHE A 361 -3.338 -5.234 -9.461 1.00 35.12 C ATOM 295 CD2 PHE A 361 -3.970 -5.196 -11.755 1.00 0.01 C ATOM 296 CE1 PHE A 361 -3.042 -6.564 -9.553 1.00 12.41 C ATOM 297 CE2 PHE A 361 -3.665 -6.536 -11.861 1.00 31.22 C ATOM 298 CZ PHE A 361 -3.202 -7.225 -10.756 1.00 52.43 C ATOM 0 H PHE A 361 -4.375 -0.980 -9.335 1.00 53.30 H new ATOM 0 HA PHE A 361 -2.111 -2.502 -9.992 1.00 32.10 H new ATOM 0 HB2 PHE A 361 -4.687 -2.956 -9.457 1.00 30.01 H new ATOM 0 HB3 PHE A 361 -4.871 -2.824 -11.195 1.00 30.01 H new ATOM 0 HD1 PHE A 361 -3.206 -4.725 -8.518 1.00 35.12 H new ATOM 0 HD2 PHE A 361 -4.342 -4.662 -12.617 1.00 0.01 H new ATOM 0 HE1 PHE A 361 -2.683 -7.099 -8.686 1.00 12.41 H new ATOM 0 HE2 PHE A 361 -3.787 -7.046 -12.805 1.00 31.22 H new ATOM 0 HZ PHE A 361 -2.966 -8.276 -10.832 1.00 52.43 H new ATOM 308 N ASP A 362 -3.168 -0.723 -12.411 1.00 63.44 N ATOM 309 CA ASP A 362 -3.008 -0.412 -13.831 1.00 62.10 C ATOM 310 C ASP A 362 -1.686 0.233 -14.114 1.00 34.44 C ATOM 311 O ASP A 362 -1.367 0.546 -15.259 1.00 41.50 O ATOM 312 CB ASP A 362 -4.167 0.430 -14.380 1.00 43.35 C ATOM 313 CG ASP A 362 -5.476 -0.323 -14.384 1.00 60.14 C ATOM 314 OD1 ASP A 362 -5.743 -1.059 -15.356 1.00 42.02 O ATOM 315 OD2 ASP A 362 -6.251 -0.198 -13.412 1.00 44.43 O ATOM 0 H ASP A 362 -3.663 -0.013 -11.871 1.00 63.44 H new ATOM 0 HA ASP A 362 -3.030 -1.366 -14.359 1.00 62.10 H new ATOM 0 HB2 ASP A 362 -4.273 1.333 -13.779 1.00 43.35 H new ATOM 0 HB3 ASP A 362 -3.931 0.749 -15.395 1.00 43.35 H new ATOM 320 N GLY A 363 -0.919 0.426 -13.083 1.00 44.22 N ATOM 321 CA GLY A 363 0.388 0.965 -13.232 1.00 31.12 C ATOM 322 C GLY A 363 1.381 0.140 -12.480 1.00 74.50 C ATOM 323 O GLY A 363 1.807 -0.909 -12.953 1.00 1.02 O ATOM 0 H GLY A 363 -1.185 0.214 -12.122 1.00 44.22 H new ATOM 0 HA2 GLY A 363 0.657 0.996 -14.288 1.00 31.12 H new ATOM 0 HA3 GLY A 363 0.408 1.992 -12.867 1.00 31.12 H new ATOM 327 N ARG A 364 1.716 0.583 -11.302 1.00 32.01 N ATOM 328 CA ARG A 364 2.675 -0.078 -10.463 1.00 45.44 C ATOM 329 C ARG A 364 2.484 0.355 -9.052 1.00 33.11 C ATOM 330 O ARG A 364 1.764 1.327 -8.810 1.00 65.20 O ATOM 331 CB ARG A 364 4.145 0.114 -10.995 1.00 53.11 C ATOM 332 CG ARG A 364 4.632 1.562 -11.376 1.00 15.50 C ATOM 333 CD ARG A 364 4.984 2.500 -10.197 1.00 30.23 C ATOM 334 NE ARG A 364 3.848 2.914 -9.378 1.00 35.21 N ATOM 335 CZ ARG A 364 3.920 3.724 -8.316 1.00 54.11 C ATOM 336 NH1 ARG A 364 5.046 4.378 -8.047 1.00 23.32 N ATOM 337 NH2 ARG A 364 2.846 3.909 -7.560 1.00 71.53 N ATOM 0 H ARG A 364 1.323 1.429 -10.890 1.00 32.01 H new ATOM 0 HA ARG A 364 2.506 -1.154 -10.495 1.00 45.44 H new ATOM 0 HB2 ARG A 364 4.824 -0.273 -10.235 1.00 53.11 H new ATOM 0 HB3 ARG A 364 4.261 -0.516 -11.877 1.00 53.11 H new ATOM 0 HG2 ARG A 364 5.511 1.470 -12.014 1.00 15.50 H new ATOM 0 HG3 ARG A 364 3.854 2.039 -11.972 1.00 15.50 H new ATOM 0 HD2 ARG A 364 5.710 1.998 -9.557 1.00 30.23 H new ATOM 0 HD3 ARG A 364 5.471 3.391 -10.594 1.00 30.23 H new ATOM 0 HE ARG A 364 2.928 2.558 -9.636 1.00 35.21 H new ATOM 0 HH11 ARG A 364 5.859 4.263 -8.652 1.00 23.32 H new ATOM 0 HH12 ARG A 364 5.096 4.995 -7.236 1.00 23.32 H new ATOM 0 HH21 ARG A 364 1.973 3.435 -7.790 1.00 71.53 H new ATOM 0 HH22 ARG A 364 2.893 4.525 -6.749 1.00 71.53 H new ATOM 351 N MET A 365 3.078 -0.324 -8.128 1.00 44.11 N ATOM 352 CA MET A 365 2.982 0.101 -6.763 1.00 52.45 C ATOM 353 C MET A 365 4.339 -0.012 -6.167 1.00 44.43 C ATOM 354 O MET A 365 5.075 -0.956 -6.477 1.00 34.34 O ATOM 355 CB MET A 365 1.992 -0.762 -5.973 1.00 1.11 C ATOM 356 CG MET A 365 1.519 -0.124 -4.697 1.00 1.53 C ATOM 357 SD MET A 365 0.259 -1.057 -3.868 1.00 61.23 S ATOM 358 CE MET A 365 -0.179 0.081 -2.564 1.00 54.21 C ATOM 0 H MET A 365 3.630 -1.167 -8.285 1.00 44.11 H new ATOM 0 HA MET A 365 2.616 1.127 -6.723 1.00 52.45 H new ATOM 0 HB2 MET A 365 1.129 -0.978 -6.603 1.00 1.11 H new ATOM 0 HB3 MET A 365 2.462 -1.717 -5.739 1.00 1.11 H new ATOM 0 HG2 MET A 365 2.369 0.002 -4.026 1.00 1.53 H new ATOM 0 HG3 MET A 365 1.137 0.873 -4.918 1.00 1.53 H new ATOM 0 HE1 MET A 365 -1.253 0.032 -2.384 1.00 54.21 H new ATOM 0 HE2 MET A 365 0.354 -0.188 -1.652 1.00 54.21 H new ATOM 0 HE3 MET A 365 0.094 1.094 -2.859 1.00 54.21 H new ATOM 368 N ARG A 366 4.702 0.938 -5.361 1.00 61.23 N ATOM 369 CA ARG A 366 5.982 0.880 -4.696 1.00 61.33 C ATOM 370 C ARG A 366 5.854 -0.151 -3.625 1.00 2.33 C ATOM 371 O ARG A 366 4.785 -0.275 -3.015 1.00 3.40 O ATOM 372 CB ARG A 366 6.307 2.210 -4.027 1.00 63.45 C ATOM 373 CG ARG A 366 6.272 3.408 -4.950 1.00 54.10 C ATOM 374 CD ARG A 366 7.446 3.452 -5.895 1.00 71.31 C ATOM 375 NE ARG A 366 8.687 3.800 -5.198 1.00 11.03 N ATOM 376 CZ ARG A 366 9.569 4.700 -5.654 1.00 32.55 C ATOM 377 NH1 ARG A 366 9.379 5.281 -6.836 1.00 51.21 N ATOM 378 NH2 ARG A 366 10.626 5.019 -4.930 1.00 64.24 N ATOM 0 H ARG A 366 4.139 1.761 -5.144 1.00 61.23 H new ATOM 0 HA ARG A 366 6.767 0.650 -5.416 1.00 61.33 H new ATOM 0 HB2 ARG A 366 5.600 2.374 -3.214 1.00 63.45 H new ATOM 0 HB3 ARG A 366 7.298 2.143 -3.579 1.00 63.45 H new ATOM 0 HG2 ARG A 366 5.347 3.389 -5.527 1.00 54.10 H new ATOM 0 HG3 ARG A 366 6.257 4.320 -4.354 1.00 54.10 H new ATOM 0 HD2 ARG A 366 7.560 2.482 -6.380 1.00 71.31 H new ATOM 0 HD3 ARG A 366 7.253 4.181 -6.682 1.00 71.31 H new ATOM 0 HE ARG A 366 8.891 3.331 -4.316 1.00 11.03 H new ATOM 0 HH11 ARG A 366 8.561 5.042 -7.396 1.00 51.21 H new ATOM 0 HH12 ARG A 366 10.051 5.966 -7.182 1.00 51.21 H new ATOM 0 HH21 ARG A 366 10.773 4.580 -4.021 1.00 64.24 H new ATOM 0 HH22 ARG A 366 11.296 5.704 -5.280 1.00 64.24 H new ATOM 392 N LEU A 367 6.895 -0.884 -3.384 1.00 4.11 N ATOM 393 CA LEU A 367 6.885 -1.851 -2.317 1.00 54.41 C ATOM 394 C LEU A 367 6.655 -1.137 -0.973 1.00 23.10 C ATOM 395 O LEU A 367 6.034 -1.673 -0.055 1.00 12.50 O ATOM 396 CB LEU A 367 8.167 -2.685 -2.369 1.00 1.24 C ATOM 397 CG LEU A 367 8.338 -3.796 -1.337 1.00 75.11 C ATOM 398 CD1 LEU A 367 7.064 -4.614 -1.205 1.00 20.30 C ATOM 399 CD2 LEU A 367 9.457 -4.704 -1.809 1.00 41.20 C ATOM 0 H LEU A 367 7.768 -0.836 -3.910 1.00 4.11 H new ATOM 0 HA LEU A 367 6.059 -2.552 -2.434 1.00 54.41 H new ATOM 0 HB2 LEU A 367 8.233 -3.135 -3.359 1.00 1.24 H new ATOM 0 HB3 LEU A 367 9.013 -2.005 -2.271 1.00 1.24 H new ATOM 0 HG LEU A 367 8.567 -3.355 -0.367 1.00 75.11 H new ATOM 0 HD11 LEU A 367 7.211 -5.399 -0.464 1.00 20.30 H new ATOM 0 HD12 LEU A 367 6.246 -3.966 -0.890 1.00 20.30 H new ATOM 0 HD13 LEU A 367 6.819 -5.064 -2.167 1.00 20.30 H new ATOM 0 HD21 LEU A 367 9.601 -5.509 -1.088 1.00 41.20 H new ATOM 0 HD22 LEU A 367 9.197 -5.128 -2.779 1.00 41.20 H new ATOM 0 HD23 LEU A 367 10.379 -4.129 -1.899 1.00 41.20 H new ATOM 411 N ASN A 368 7.117 0.098 -0.915 1.00 24.42 N ATOM 412 CA ASN A 368 6.916 0.986 0.223 1.00 13.42 C ATOM 413 C ASN A 368 5.425 1.302 0.395 1.00 75.53 C ATOM 414 O ASN A 368 4.914 1.332 1.520 1.00 10.22 O ATOM 415 CB ASN A 368 7.686 2.282 -0.004 1.00 53.34 C ATOM 416 CG ASN A 368 9.155 2.046 -0.258 1.00 12.31 C ATOM 417 OD1 ASN A 368 9.557 1.846 -1.399 1.00 22.45 O ATOM 418 ND2 ASN A 368 9.962 2.078 0.783 1.00 32.41 N ATOM 0 H ASN A 368 7.654 0.524 -1.671 1.00 24.42 H new ATOM 0 HA ASN A 368 7.279 0.493 1.125 1.00 13.42 H new ATOM 0 HB2 ASN A 368 7.255 2.813 -0.853 1.00 53.34 H new ATOM 0 HB3 ASN A 368 7.570 2.927 0.867 1.00 53.34 H new ATOM 0 HD21 ASN A 368 10.964 1.933 0.656 1.00 32.41 H new ATOM 0 HD22 ASN A 368 9.585 2.248 1.715 1.00 32.41 H new ATOM 425 N GLU A 369 4.724 1.517 -0.731 1.00 74.21 N ATOM 426 CA GLU A 369 3.288 1.805 -0.703 1.00 4.54 C ATOM 427 C GLU A 369 2.518 0.597 -0.257 1.00 33.00 C ATOM 428 O GLU A 369 1.534 0.722 0.445 1.00 52.32 O ATOM 429 CB GLU A 369 2.758 2.271 -2.046 1.00 73.42 C ATOM 430 CG GLU A 369 3.277 3.603 -2.508 1.00 3.21 C ATOM 431 CD GLU A 369 2.694 3.985 -3.832 1.00 40.44 C ATOM 432 OE1 GLU A 369 3.142 3.449 -4.861 1.00 21.31 O ATOM 433 OE2 GLU A 369 1.759 4.825 -3.862 1.00 10.30 O ATOM 0 H GLU A 369 5.130 1.496 -1.666 1.00 74.21 H new ATOM 0 HA GLU A 369 3.150 2.619 0.009 1.00 4.54 H new ATOM 0 HB2 GLU A 369 3.006 1.521 -2.797 1.00 73.42 H new ATOM 0 HB3 GLU A 369 1.670 2.321 -1.993 1.00 73.42 H new ATOM 0 HG2 GLU A 369 3.035 4.366 -1.768 1.00 3.21 H new ATOM 0 HG3 GLU A 369 4.364 3.566 -2.584 1.00 3.21 H new ATOM 440 N ILE A 370 2.956 -0.572 -0.697 1.00 40.15 N ATOM 441 CA ILE A 370 2.390 -1.838 -0.237 1.00 42.13 C ATOM 442 C ILE A 370 2.419 -1.906 1.289 1.00 3.14 C ATOM 443 O ILE A 370 1.412 -2.211 1.915 1.00 23.03 O ATOM 444 CB ILE A 370 3.171 -3.012 -0.858 1.00 31.22 C ATOM 445 CG1 ILE A 370 2.943 -3.007 -2.366 1.00 4.43 C ATOM 446 CG2 ILE A 370 2.806 -4.379 -0.232 1.00 42.23 C ATOM 447 CD1 ILE A 370 3.740 -4.024 -3.085 1.00 14.03 C ATOM 0 H ILE A 370 3.708 -0.674 -1.378 1.00 40.15 H new ATOM 0 HA ILE A 370 1.350 -1.906 -0.557 1.00 42.13 H new ATOM 0 HB ILE A 370 4.230 -2.872 -0.643 1.00 31.22 H new ATOM 0 HG12 ILE A 370 1.885 -3.177 -2.566 1.00 4.43 H new ATOM 0 HG13 ILE A 370 3.187 -2.020 -2.759 1.00 4.43 H new ATOM 0 HG21 ILE A 370 3.389 -5.166 -0.711 1.00 42.23 H new ATOM 0 HG22 ILE A 370 3.028 -4.361 0.835 1.00 42.23 H new ATOM 0 HG23 ILE A 370 1.744 -4.574 -0.378 1.00 42.23 H new ATOM 0 HD11 ILE A 370 3.528 -3.964 -4.153 1.00 14.03 H new ATOM 0 HD12 ILE A 370 4.801 -3.842 -2.915 1.00 14.03 H new ATOM 0 HD13 ILE A 370 3.479 -5.017 -2.719 1.00 14.03 H new ATOM 459 N TYR A 371 3.563 -1.568 1.876 1.00 1.14 N ATOM 460 CA TYR A 371 3.690 -1.522 3.341 1.00 72.32 C ATOM 461 C TYR A 371 2.703 -0.506 3.916 1.00 71.20 C ATOM 462 O TYR A 371 1.999 -0.769 4.893 1.00 33.41 O ATOM 463 CB TYR A 371 5.111 -1.139 3.769 1.00 12.04 C ATOM 464 CG TYR A 371 6.199 -2.054 3.274 1.00 40.12 C ATOM 465 CD1 TYR A 371 6.065 -3.430 3.331 1.00 51.40 C ATOM 466 CD2 TYR A 371 7.379 -1.535 2.775 1.00 1.15 C ATOM 467 CE1 TYR A 371 7.072 -4.257 2.899 1.00 11.41 C ATOM 468 CE2 TYR A 371 8.389 -2.351 2.338 1.00 3.22 C ATOM 469 CZ TYR A 371 8.234 -3.711 2.401 1.00 21.14 C ATOM 470 OH TYR A 371 9.240 -4.532 1.971 1.00 74.33 O ATOM 0 H TYR A 371 4.414 -1.322 1.370 1.00 1.14 H new ATOM 0 HA TYR A 371 3.470 -2.518 3.725 1.00 72.32 H new ATOM 0 HB2 TYR A 371 5.320 -0.129 3.416 1.00 12.04 H new ATOM 0 HB3 TYR A 371 5.150 -1.111 4.858 1.00 12.04 H new ATOM 0 HD1 TYR A 371 5.154 -3.860 3.721 1.00 51.40 H new ATOM 0 HD2 TYR A 371 7.507 -0.464 2.729 1.00 1.15 H new ATOM 0 HE1 TYR A 371 6.954 -5.329 2.949 1.00 11.41 H new ATOM 0 HE2 TYR A 371 9.301 -1.925 1.947 1.00 3.22 H new ATOM 0 HH TYR A 371 9.880 -4.014 1.439 1.00 74.33 H new ATOM 480 N ASN A 372 2.660 0.635 3.280 1.00 65.11 N ATOM 481 CA ASN A 372 1.764 1.727 3.642 1.00 72.54 C ATOM 482 C ASN A 372 0.295 1.309 3.599 1.00 54.44 C ATOM 483 O ASN A 372 -0.492 1.727 4.450 1.00 3.52 O ATOM 484 CB ASN A 372 2.019 2.931 2.734 1.00 25.33 C ATOM 485 CG ASN A 372 0.962 4.015 2.837 1.00 64.24 C ATOM 486 OD1 ASN A 372 1.028 4.901 3.688 1.00 22.24 O ATOM 487 ND2 ASN A 372 -0.002 3.975 1.937 1.00 12.15 N ATOM 0 H ASN A 372 3.254 0.846 2.478 1.00 65.11 H new ATOM 0 HA ASN A 372 1.978 2.006 4.674 1.00 72.54 H new ATOM 0 HB2 ASN A 372 2.990 3.360 2.980 1.00 25.33 H new ATOM 0 HB3 ASN A 372 2.075 2.589 1.701 1.00 25.33 H new ATOM 0 HD21 ASN A 372 -0.725 4.694 1.932 1.00 12.15 H new ATOM 0 HD22 ASN A 372 -0.024 3.225 1.246 1.00 12.15 H new ATOM 494 N TRP A 373 -0.063 0.495 2.616 1.00 33.41 N ATOM 495 CA TRP A 373 -1.419 -0.007 2.467 1.00 24.24 C ATOM 496 C TRP A 373 -1.824 -0.759 3.713 1.00 14.44 C ATOM 497 O TRP A 373 -2.880 -0.499 4.280 1.00 52.32 O ATOM 498 CB TRP A 373 -1.521 -0.921 1.243 1.00 2.43 C ATOM 499 CG TRP A 373 -2.902 -1.479 0.973 1.00 60.44 C ATOM 500 CD1 TRP A 373 -3.846 -0.958 0.140 1.00 33.42 C ATOM 501 CD2 TRP A 373 -3.476 -2.675 1.529 1.00 20.21 C ATOM 502 NE1 TRP A 373 -4.962 -1.755 0.130 1.00 25.15 N ATOM 503 CE2 TRP A 373 -4.763 -2.821 0.981 1.00 42.12 C ATOM 504 CE3 TRP A 373 -3.016 -3.632 2.436 1.00 71.12 C ATOM 505 CZ2 TRP A 373 -5.598 -3.905 1.317 1.00 53.13 C ATOM 506 CZ3 TRP A 373 -3.836 -4.685 2.764 1.00 45.12 C ATOM 507 CH2 TRP A 373 -5.108 -4.815 2.205 1.00 33.51 C ATOM 0 H TRP A 373 0.582 0.164 1.898 1.00 33.41 H new ATOM 0 HA TRP A 373 -2.093 0.837 2.323 1.00 24.24 H new ATOM 0 HB2 TRP A 373 -1.192 -0.365 0.365 1.00 2.43 H new ATOM 0 HB3 TRP A 373 -0.828 -1.753 1.371 1.00 2.43 H new ATOM 0 HD1 TRP A 373 -3.732 -0.048 -0.430 1.00 33.42 H new ATOM 0 HE1 TRP A 373 -5.805 -1.586 -0.419 1.00 25.15 H new ATOM 0 HE3 TRP A 373 -2.032 -3.546 2.873 1.00 71.12 H new ATOM 0 HZ2 TRP A 373 -6.584 -4.010 0.889 1.00 53.13 H new ATOM 0 HZ3 TRP A 373 -3.489 -5.427 3.468 1.00 45.12 H new ATOM 0 HH2 TRP A 373 -5.721 -5.660 2.484 1.00 33.51 H new ATOM 518 N PHE A 374 -0.973 -1.680 4.144 1.00 42.01 N ATOM 519 CA PHE A 374 -1.235 -2.456 5.348 1.00 5.52 C ATOM 520 C PHE A 374 -1.312 -1.561 6.553 1.00 12.23 C ATOM 521 O PHE A 374 -2.222 -1.677 7.350 1.00 31.24 O ATOM 522 CB PHE A 374 -0.176 -3.545 5.580 1.00 24.22 C ATOM 523 CG PHE A 374 -0.174 -4.677 4.597 1.00 5.51 C ATOM 524 CD1 PHE A 374 0.541 -4.600 3.423 1.00 75.34 C ATOM 525 CD2 PHE A 374 -0.885 -5.831 4.863 1.00 22.42 C ATOM 526 CE1 PHE A 374 0.549 -5.648 2.527 1.00 74.15 C ATOM 527 CE2 PHE A 374 -0.879 -6.883 3.974 1.00 25.33 C ATOM 528 CZ PHE A 374 -0.162 -6.790 2.804 1.00 63.32 C ATOM 0 H PHE A 374 -0.095 -1.908 3.678 1.00 42.01 H new ATOM 0 HA PHE A 374 -2.196 -2.949 5.200 1.00 5.52 H new ATOM 0 HB2 PHE A 374 0.808 -3.076 5.567 1.00 24.22 H new ATOM 0 HB3 PHE A 374 -0.319 -3.957 6.579 1.00 24.22 H new ATOM 0 HD1 PHE A 374 1.104 -3.706 3.201 1.00 75.34 H new ATOM 0 HD2 PHE A 374 -1.452 -5.909 5.779 1.00 22.42 H new ATOM 0 HE1 PHE A 374 1.113 -5.571 1.609 1.00 74.15 H new ATOM 0 HE2 PHE A 374 -1.437 -7.781 4.196 1.00 25.33 H new ATOM 0 HZ PHE A 374 -0.158 -7.613 2.105 1.00 63.32 H new ATOM 538 N ALA A 375 -0.376 -0.651 6.660 1.00 50.24 N ATOM 539 CA ALA A 375 -0.310 0.257 7.804 1.00 30.14 C ATOM 540 C ALA A 375 -1.562 1.128 7.902 1.00 24.32 C ATOM 541 O ALA A 375 -2.114 1.337 8.982 1.00 30.51 O ATOM 542 CB ALA A 375 0.933 1.123 7.710 1.00 61.14 C ATOM 0 H ALA A 375 0.361 -0.510 5.969 1.00 50.24 H new ATOM 0 HA ALA A 375 -0.257 -0.346 8.710 1.00 30.14 H new ATOM 0 HB1 ALA A 375 0.973 1.796 8.567 1.00 61.14 H new ATOM 0 HB2 ALA A 375 1.819 0.488 7.705 1.00 61.14 H new ATOM 0 HB3 ALA A 375 0.901 1.708 6.791 1.00 61.14 H new ATOM 548 N SER A 376 -1.999 1.617 6.786 1.00 53.42 N ATOM 549 CA SER A 376 -3.144 2.483 6.725 1.00 33.25 C ATOM 550 C SER A 376 -4.467 1.709 6.817 1.00 3.44 C ATOM 551 O SER A 376 -5.417 2.170 7.455 1.00 3.43 O ATOM 552 CB SER A 376 -3.095 3.320 5.448 1.00 41.41 C ATOM 553 OG SER A 376 -1.861 4.034 5.370 1.00 23.21 O ATOM 0 H SER A 376 -1.571 1.428 5.880 1.00 53.42 H new ATOM 0 HA SER A 376 -3.105 3.143 7.592 1.00 33.25 H new ATOM 0 HB2 SER A 376 -3.205 2.674 4.577 1.00 41.41 H new ATOM 0 HB3 SER A 376 -3.930 4.021 5.432 1.00 41.41 H new ATOM 0 HG SER A 376 -1.154 3.432 5.055 1.00 23.21 H new ATOM 559 N ASN A 377 -4.534 0.527 6.216 1.00 14.42 N ATOM 560 CA ASN A 377 -5.806 -0.187 6.176 1.00 33.31 C ATOM 561 C ASN A 377 -5.991 -1.161 7.310 1.00 34.32 C ATOM 562 O ASN A 377 -7.123 -1.458 7.696 1.00 63.23 O ATOM 563 CB ASN A 377 -6.072 -0.846 4.807 1.00 60.33 C ATOM 564 CG ASN A 377 -6.301 0.170 3.723 1.00 12.00 C ATOM 565 OD1 ASN A 377 -7.415 0.581 3.487 1.00 60.40 O ATOM 566 ND2 ASN A 377 -5.255 0.574 3.057 1.00 62.52 N ATOM 0 H ASN A 377 -3.752 0.054 5.763 1.00 14.42 H new ATOM 0 HA ASN A 377 -6.565 0.583 6.317 1.00 33.31 H new ATOM 0 HB2 ASN A 377 -5.225 -1.477 4.538 1.00 60.33 H new ATOM 0 HB3 ASN A 377 -6.943 -1.497 4.882 1.00 60.33 H new ATOM 0 HD21 ASN A 377 -5.360 1.259 2.309 1.00 62.52 H new ATOM 0 HD22 ASN A 377 -4.332 0.205 3.285 1.00 62.52 H new ATOM 573 N VAL A 378 -4.908 -1.626 7.863 1.00 33.51 N ATOM 574 CA VAL A 378 -4.954 -2.571 8.949 1.00 34.43 C ATOM 575 C VAL A 378 -4.488 -1.889 10.236 1.00 14.22 C ATOM 576 O VAL A 378 -3.344 -1.413 10.314 1.00 34.00 O ATOM 577 CB VAL A 378 -4.058 -3.796 8.660 1.00 24.14 C ATOM 578 CG1 VAL A 378 -4.118 -4.811 9.790 1.00 2.30 C ATOM 579 CG2 VAL A 378 -4.426 -4.441 7.330 1.00 44.13 C ATOM 0 H VAL A 378 -3.965 -1.362 7.576 1.00 33.51 H new ATOM 0 HA VAL A 378 -5.981 -2.918 9.060 1.00 34.43 H new ATOM 0 HB VAL A 378 -3.030 -3.440 8.592 1.00 24.14 H new ATOM 0 HG11 VAL A 378 -3.476 -5.659 9.552 1.00 2.30 H new ATOM 0 HG12 VAL A 378 -3.777 -4.346 10.715 1.00 2.30 H new ATOM 0 HG13 VAL A 378 -5.144 -5.157 9.914 1.00 2.30 H new ATOM 0 HG21 VAL A 378 -3.780 -5.301 7.151 1.00 44.13 H new ATOM 0 HG22 VAL A 378 -5.465 -4.768 7.359 1.00 44.13 H new ATOM 0 HG23 VAL A 378 -4.296 -3.716 6.526 1.00 44.13 H new ATOM 589 N PRO A 379 -5.375 -1.830 11.248 1.00 51.50 N ATOM 590 CA PRO A 379 -5.096 -1.163 12.525 1.00 24.30 C ATOM 591 C PRO A 379 -3.782 -1.612 13.178 1.00 70.44 C ATOM 592 O PRO A 379 -3.007 -0.781 13.667 1.00 21.33 O ATOM 593 CB PRO A 379 -6.279 -1.528 13.429 1.00 3.31 C ATOM 594 CG PRO A 379 -7.287 -2.242 12.581 1.00 72.30 C ATOM 595 CD PRO A 379 -6.728 -2.401 11.196 1.00 75.11 C ATOM 0 HA PRO A 379 -4.981 -0.091 12.367 1.00 24.30 H new ATOM 0 HB2 PRO A 379 -5.951 -2.163 14.252 1.00 3.31 H new ATOM 0 HB3 PRO A 379 -6.715 -0.632 13.871 1.00 3.31 H new ATOM 0 HG2 PRO A 379 -7.517 -3.217 13.009 1.00 72.30 H new ATOM 0 HG3 PRO A 379 -8.220 -1.679 12.549 1.00 72.30 H new ATOM 0 HD2 PRO A 379 -6.700 -3.450 10.903 1.00 75.11 H new ATOM 0 HD3 PRO A 379 -7.345 -1.882 10.462 1.00 75.11 H new ATOM 603 N TYR A 380 -3.533 -2.914 13.161 1.00 61.04 N ATOM 604 CA TYR A 380 -2.340 -3.509 13.756 1.00 40.32 C ATOM 605 C TYR A 380 -1.066 -2.895 13.170 1.00 22.32 C ATOM 606 O TYR A 380 -0.131 -2.577 13.901 1.00 45.31 O ATOM 607 CB TYR A 380 -2.383 -5.026 13.523 1.00 60.21 C ATOM 608 CG TYR A 380 -1.262 -5.813 14.140 1.00 43.03 C ATOM 609 CD1 TYR A 380 -1.153 -5.927 15.514 1.00 51.31 C ATOM 610 CD2 TYR A 380 -0.326 -6.460 13.349 1.00 42.02 C ATOM 611 CE1 TYR A 380 -0.144 -6.658 16.089 1.00 62.32 C ATOM 612 CE2 TYR A 380 0.687 -7.200 13.912 1.00 72.21 C ATOM 613 CZ TYR A 380 0.776 -7.297 15.285 1.00 62.21 C ATOM 614 OH TYR A 380 1.781 -8.043 15.857 1.00 11.22 O ATOM 0 H TYR A 380 -4.158 -3.595 12.730 1.00 61.04 H new ATOM 0 HA TYR A 380 -2.325 -3.305 14.827 1.00 40.32 H new ATOM 0 HB2 TYR A 380 -3.327 -5.408 13.912 1.00 60.21 H new ATOM 0 HB3 TYR A 380 -2.383 -5.210 12.449 1.00 60.21 H new ATOM 0 HD1 TYR A 380 -1.875 -5.432 16.146 1.00 51.31 H new ATOM 0 HD2 TYR A 380 -0.393 -6.382 12.274 1.00 42.02 H new ATOM 0 HE1 TYR A 380 -0.071 -6.732 17.164 1.00 62.32 H new ATOM 0 HE2 TYR A 380 1.408 -7.702 13.284 1.00 72.21 H new ATOM 0 HH TYR A 380 2.344 -8.428 15.153 1.00 11.22 H new ATOM 624 N PHE A 381 -1.051 -2.693 11.868 1.00 61.15 N ATOM 625 CA PHE A 381 0.110 -2.147 11.206 1.00 2.41 C ATOM 626 C PHE A 381 0.255 -0.676 11.412 1.00 33.02 C ATOM 627 O PHE A 381 1.346 -0.162 11.373 1.00 24.01 O ATOM 628 CB PHE A 381 0.202 -2.548 9.763 1.00 13.31 C ATOM 629 CG PHE A 381 0.285 -4.008 9.626 1.00 70.21 C ATOM 630 CD1 PHE A 381 1.263 -4.718 10.289 1.00 52.30 C ATOM 631 CD2 PHE A 381 -0.632 -4.678 8.888 1.00 12.41 C ATOM 632 CE1 PHE A 381 1.320 -6.072 10.195 1.00 75.33 C ATOM 633 CE2 PHE A 381 -0.591 -6.024 8.791 1.00 64.31 C ATOM 634 CZ PHE A 381 0.395 -6.730 9.449 1.00 53.12 C ATOM 0 H PHE A 381 -1.834 -2.900 11.248 1.00 61.15 H new ATOM 0 HA PHE A 381 0.972 -2.601 11.694 1.00 2.41 H new ATOM 0 HB2 PHE A 381 -0.669 -2.178 9.223 1.00 13.31 H new ATOM 0 HB3 PHE A 381 1.079 -2.086 9.309 1.00 13.31 H new ATOM 0 HD1 PHE A 381 1.991 -4.193 10.889 1.00 52.30 H new ATOM 0 HD2 PHE A 381 -1.405 -4.129 8.371 1.00 12.41 H new ATOM 0 HE1 PHE A 381 2.095 -6.621 10.709 1.00 75.33 H new ATOM 0 HE2 PHE A 381 -1.328 -6.547 8.200 1.00 64.31 H new ATOM 0 HZ PHE A 381 0.431 -7.807 9.371 1.00 53.12 H new ATOM 644 N GLY A 382 -0.853 0.007 11.616 1.00 43.01 N ATOM 645 CA GLY A 382 -0.797 1.427 11.928 1.00 44.30 C ATOM 646 C GLY A 382 -0.006 1.675 13.219 1.00 33.30 C ATOM 647 O GLY A 382 0.585 2.740 13.414 1.00 72.42 O ATOM 0 H GLY A 382 -1.792 -0.388 11.573 1.00 43.01 H new ATOM 0 HA2 GLY A 382 -0.332 1.966 11.103 1.00 44.30 H new ATOM 0 HA3 GLY A 382 -1.808 1.820 12.036 1.00 44.30 H new ATOM 651 N ASN A 383 0.008 0.658 14.081 1.00 74.52 N ATOM 652 CA ASN A 383 0.756 0.676 15.332 1.00 14.34 C ATOM 653 C ASN A 383 2.204 0.232 15.105 1.00 73.24 C ATOM 654 O ASN A 383 3.061 0.396 15.968 1.00 70.53 O ATOM 655 CB ASN A 383 0.086 -0.240 16.379 1.00 71.20 C ATOM 656 CG ASN A 383 -1.255 0.272 16.889 1.00 3.43 C ATOM 657 OD1 ASN A 383 -1.320 1.016 17.872 1.00 4.03 O ATOM 658 ND2 ASN A 383 -2.328 -0.122 16.257 1.00 22.04 N ATOM 0 H ASN A 383 -0.506 -0.209 13.926 1.00 74.52 H new ATOM 0 HA ASN A 383 0.758 1.699 15.707 1.00 14.34 H new ATOM 0 HB2 ASN A 383 -0.057 -1.228 15.942 1.00 71.20 H new ATOM 0 HB3 ASN A 383 0.762 -0.361 17.225 1.00 71.20 H new ATOM 0 HD21 ASN A 383 -3.248 0.185 16.573 1.00 22.04 H new ATOM 0 HD22 ASN A 383 -2.246 -0.737 15.447 1.00 22.04 H new ATOM 665 N ARG A 384 2.466 -0.339 13.946 1.00 11.51 N ATOM 666 CA ARG A 384 3.792 -0.788 13.585 1.00 34.23 C ATOM 667 C ARG A 384 4.265 -0.117 12.317 1.00 1.43 C ATOM 668 O ARG A 384 4.424 -0.760 11.278 1.00 4.30 O ATOM 669 CB ARG A 384 3.895 -2.318 13.466 1.00 51.53 C ATOM 670 CG ARG A 384 3.744 -3.049 14.778 1.00 71.32 C ATOM 671 CD ARG A 384 3.957 -4.544 14.626 1.00 1.51 C ATOM 672 NE ARG A 384 3.963 -5.189 15.936 1.00 24.01 N ATOM 673 CZ ARG A 384 4.508 -6.376 16.228 1.00 13.13 C ATOM 674 NH1 ARG A 384 4.986 -7.157 15.269 1.00 4.44 N ATOM 675 NH2 ARG A 384 4.544 -6.784 17.494 1.00 65.14 N ATOM 0 H ARG A 384 1.761 -0.504 13.227 1.00 11.51 H new ATOM 0 HA ARG A 384 4.450 -0.494 14.403 1.00 34.23 H new ATOM 0 HB2 ARG A 384 3.129 -2.671 12.776 1.00 51.53 H new ATOM 0 HB3 ARG A 384 4.860 -2.574 13.029 1.00 51.53 H new ATOM 0 HG2 ARG A 384 4.460 -2.653 15.498 1.00 71.32 H new ATOM 0 HG3 ARG A 384 2.749 -2.864 15.183 1.00 71.32 H new ATOM 0 HD2 ARG A 384 3.168 -4.970 14.007 1.00 1.51 H new ATOM 0 HD3 ARG A 384 4.901 -4.734 14.115 1.00 1.51 H new ATOM 0 HE ARG A 384 3.509 -4.688 16.700 1.00 24.01 H new ATOM 0 HH11 ARG A 384 4.941 -6.855 14.296 1.00 4.44 H new ATOM 0 HH12 ARG A 384 5.399 -8.059 15.505 1.00 4.44 H new ATOM 0 HH21 ARG A 384 4.158 -6.194 18.231 1.00 65.14 H new ATOM 0 HH22 ARG A 384 4.957 -7.687 17.727 1.00 65.14 H new ATOM 689 N THR A 385 4.461 1.166 12.398 1.00 15.33 N ATOM 690 CA THR A 385 4.828 1.950 11.243 1.00 42.21 C ATOM 691 C THR A 385 6.284 2.388 11.251 1.00 4.32 C ATOM 692 O THR A 385 6.870 2.613 10.189 1.00 31.44 O ATOM 693 CB THR A 385 3.902 3.164 11.096 1.00 24.12 C ATOM 694 OG1 THR A 385 3.766 3.832 12.372 1.00 44.52 O ATOM 695 CG2 THR A 385 2.546 2.738 10.585 1.00 43.11 C ATOM 0 H THR A 385 4.373 1.702 13.261 1.00 15.33 H new ATOM 0 HA THR A 385 4.707 1.297 10.379 1.00 42.21 H new ATOM 0 HB THR A 385 4.340 3.854 10.375 1.00 24.12 H new ATOM 0 HG1 THR A 385 3.175 4.608 12.274 1.00 44.52 H new ATOM 0 HG21 THR A 385 1.903 3.613 10.487 1.00 43.11 H new ATOM 0 HG22 THR A 385 2.658 2.259 9.612 1.00 43.11 H new ATOM 0 HG23 THR A 385 2.097 2.034 11.286 1.00 43.11 H new ATOM 703 N SER A 386 6.874 2.480 12.427 1.00 64.04 N ATOM 704 CA SER A 386 8.248 2.925 12.565 1.00 33.33 C ATOM 705 C SER A 386 9.184 1.880 11.960 1.00 31.35 C ATOM 706 O SER A 386 8.777 0.741 11.769 1.00 24.21 O ATOM 707 CB SER A 386 8.549 3.135 14.039 1.00 2.40 C ATOM 708 OG SER A 386 7.568 3.985 14.621 1.00 52.35 O ATOM 0 H SER A 386 6.418 2.250 13.310 1.00 64.04 H new ATOM 0 HA SER A 386 8.398 3.866 12.036 1.00 33.33 H new ATOM 0 HB2 SER A 386 8.563 2.175 14.556 1.00 2.40 H new ATOM 0 HB3 SER A 386 9.539 3.575 14.157 1.00 2.40 H new ATOM 0 HG SER A 386 7.769 4.113 15.572 1.00 52.35 H new ATOM 714 N GLN A 387 10.409 2.257 11.668 1.00 20.24 N ATOM 715 CA GLN A 387 11.375 1.364 11.022 1.00 14.21 C ATOM 716 C GLN A 387 11.527 0.024 11.758 1.00 53.01 C ATOM 717 O GLN A 387 11.338 -1.027 11.166 1.00 1.44 O ATOM 718 CB GLN A 387 12.717 2.065 10.900 1.00 74.13 C ATOM 719 CG GLN A 387 13.820 1.215 10.310 1.00 31.11 C ATOM 720 CD GLN A 387 15.105 1.980 10.189 1.00 22.41 C ATOM 721 OE1 GLN A 387 15.103 3.188 9.988 1.00 63.35 O ATOM 722 NE2 GLN A 387 16.199 1.313 10.348 1.00 31.05 N ATOM 0 H GLN A 387 10.774 3.188 11.867 1.00 20.24 H new ATOM 0 HA GLN A 387 10.992 1.129 10.029 1.00 14.21 H new ATOM 0 HB2 GLN A 387 12.592 2.955 10.283 1.00 74.13 H new ATOM 0 HB3 GLN A 387 13.027 2.403 11.889 1.00 74.13 H new ATOM 0 HG2 GLN A 387 13.977 0.337 10.936 1.00 31.11 H new ATOM 0 HG3 GLN A 387 13.516 0.856 9.327 1.00 31.11 H new ATOM 0 HE21 GLN A 387 16.164 0.307 10.514 1.00 31.05 H new ATOM 0 HE22 GLN A 387 17.099 1.792 10.308 1.00 31.05 H new ATOM 731 N GLU A 388 11.796 0.069 13.049 1.00 43.20 N ATOM 732 CA GLU A 388 11.977 -1.164 13.823 1.00 22.22 C ATOM 733 C GLU A 388 10.644 -1.856 14.060 1.00 63.32 C ATOM 734 O GLU A 388 10.577 -3.060 14.269 1.00 14.41 O ATOM 735 CB GLU A 388 12.666 -0.882 15.151 1.00 33.01 C ATOM 736 CG GLU A 388 14.048 -0.280 15.009 1.00 63.34 C ATOM 737 CD GLU A 388 14.722 -0.083 16.338 1.00 30.24 C ATOM 738 OE1 GLU A 388 14.542 0.982 16.961 1.00 63.00 O ATOM 739 OE2 GLU A 388 15.445 -0.994 16.793 1.00 33.54 O ATOM 0 H GLU A 388 11.895 0.930 13.587 1.00 43.20 H new ATOM 0 HA GLU A 388 12.615 -1.829 13.240 1.00 22.22 H new ATOM 0 HB2 GLU A 388 12.044 -0.205 15.736 1.00 33.01 H new ATOM 0 HB3 GLU A 388 12.742 -1.812 15.715 1.00 33.01 H new ATOM 0 HG2 GLU A 388 14.662 -0.929 14.385 1.00 63.34 H new ATOM 0 HG3 GLU A 388 13.974 0.679 14.496 1.00 63.34 H new ATOM 746 N GLN A 389 9.591 -1.085 13.995 1.00 0.23 N ATOM 747 CA GLN A 389 8.254 -1.583 14.214 1.00 61.01 C ATOM 748 C GLN A 389 7.704 -2.293 12.990 1.00 62.00 C ATOM 749 O GLN A 389 6.900 -3.204 13.107 1.00 73.20 O ATOM 750 CB GLN A 389 7.333 -0.435 14.612 1.00 33.54 C ATOM 751 CG GLN A 389 7.624 0.135 15.989 1.00 71.03 C ATOM 752 CD GLN A 389 7.264 -0.829 17.110 1.00 44.43 C ATOM 753 OE1 GLN A 389 7.900 -0.844 18.162 1.00 73.03 O ATOM 754 NE2 GLN A 389 6.211 -1.593 16.920 1.00 31.13 N ATOM 0 H GLN A 389 9.634 -0.087 13.787 1.00 0.23 H new ATOM 0 HA GLN A 389 8.300 -2.313 15.022 1.00 61.01 H new ATOM 0 HB2 GLN A 389 7.421 0.362 13.873 1.00 33.54 H new ATOM 0 HB3 GLN A 389 6.301 -0.783 14.584 1.00 33.54 H new ATOM 0 HG2 GLN A 389 8.682 0.387 16.058 1.00 71.03 H new ATOM 0 HG3 GLN A 389 7.066 1.062 16.119 1.00 71.03 H new ATOM 0 HE21 GLN A 389 5.706 -1.555 16.034 1.00 31.13 H new ATOM 0 HE22 GLN A 389 5.899 -2.224 17.658 1.00 31.13 H new ATOM 763 N SER A 390 8.145 -1.888 11.832 1.00 72.13 N ATOM 764 CA SER A 390 7.613 -2.429 10.620 1.00 33.23 C ATOM 765 C SER A 390 8.550 -3.419 9.930 1.00 12.11 C ATOM 766 O SER A 390 8.085 -4.301 9.208 1.00 73.11 O ATOM 767 CB SER A 390 7.192 -1.297 9.682 1.00 12.50 C ATOM 768 OG SER A 390 8.283 -0.433 9.385 1.00 13.43 O ATOM 0 H SER A 390 8.872 -1.184 11.705 1.00 72.13 H new ATOM 0 HA SER A 390 6.733 -3.012 10.890 1.00 33.23 H new ATOM 0 HB2 SER A 390 6.797 -1.717 8.757 1.00 12.50 H new ATOM 0 HB3 SER A 390 6.387 -0.723 10.141 1.00 12.50 H new ATOM 0 HG SER A 390 8.577 0.016 10.205 1.00 13.43 H new ATOM 774 N ALA A 391 9.856 -3.294 10.181 1.00 15.54 N ATOM 775 CA ALA A 391 10.885 -4.133 9.535 1.00 64.14 C ATOM 776 C ALA A 391 10.588 -5.629 9.615 1.00 31.22 C ATOM 777 O ALA A 391 10.898 -6.378 8.680 1.00 43.40 O ATOM 778 CB ALA A 391 12.254 -3.849 10.120 1.00 40.30 C ATOM 0 H ALA A 391 10.236 -2.611 10.836 1.00 15.54 H new ATOM 0 HA ALA A 391 10.871 -3.863 8.479 1.00 64.14 H new ATOM 0 HB1 ALA A 391 12.997 -4.478 9.630 1.00 40.30 H new ATOM 0 HB2 ALA A 391 12.506 -2.800 9.963 1.00 40.30 H new ATOM 0 HB3 ALA A 391 12.245 -4.064 11.189 1.00 40.30 H new ATOM 784 N GLY A 392 9.995 -6.058 10.708 1.00 41.43 N ATOM 785 CA GLY A 392 9.681 -7.452 10.873 1.00 12.40 C ATOM 786 C GLY A 392 8.595 -7.920 9.951 1.00 13.25 C ATOM 787 O GLY A 392 8.786 -8.887 9.218 1.00 10.52 O ATOM 0 H GLY A 392 9.724 -5.461 11.490 1.00 41.43 H new ATOM 0 HA2 GLY A 392 10.579 -8.044 10.698 1.00 12.40 H new ATOM 0 HA3 GLY A 392 9.377 -7.631 11.904 1.00 12.40 H new ATOM 791 N TRP A 393 7.458 -7.233 9.943 1.00 43.21 N ATOM 792 CA TRP A 393 6.379 -7.661 9.088 1.00 1.14 C ATOM 793 C TRP A 393 6.702 -7.387 7.618 1.00 4.41 C ATOM 794 O TRP A 393 6.201 -8.070 6.721 1.00 63.12 O ATOM 795 CB TRP A 393 4.987 -7.149 9.531 1.00 63.55 C ATOM 796 CG TRP A 393 4.799 -5.675 9.546 1.00 65.42 C ATOM 797 CD1 TRP A 393 5.087 -4.824 10.560 1.00 71.11 C ATOM 798 CD2 TRP A 393 4.235 -4.890 8.504 1.00 55.45 C ATOM 799 NE1 TRP A 393 4.744 -3.538 10.202 1.00 33.51 N ATOM 800 CE2 TRP A 393 4.225 -3.554 8.941 1.00 5.12 C ATOM 801 CE3 TRP A 393 3.745 -5.192 7.241 1.00 2.42 C ATOM 802 CZ2 TRP A 393 3.742 -2.515 8.153 1.00 25.11 C ATOM 803 CZ3 TRP A 393 3.264 -4.163 6.456 1.00 52.24 C ATOM 804 CH2 TRP A 393 3.269 -2.840 6.916 1.00 1.42 C ATOM 0 H TRP A 393 7.270 -6.402 10.504 1.00 43.21 H new ATOM 0 HA TRP A 393 6.298 -8.742 9.197 1.00 1.14 H new ATOM 0 HB2 TRP A 393 4.237 -7.582 8.869 1.00 63.55 H new ATOM 0 HB3 TRP A 393 4.786 -7.529 10.533 1.00 63.55 H new ATOM 0 HD1 TRP A 393 5.520 -5.110 11.507 1.00 71.11 H new ATOM 0 HE1 TRP A 393 4.860 -2.709 10.785 1.00 33.51 H new ATOM 0 HE3 TRP A 393 3.740 -6.210 6.880 1.00 2.42 H new ATOM 0 HZ2 TRP A 393 3.742 -1.494 8.506 1.00 25.11 H new ATOM 0 HZ3 TRP A 393 2.878 -4.382 5.471 1.00 52.24 H new ATOM 0 HH2 TRP A 393 2.889 -2.058 6.275 1.00 1.42 H new ATOM 815 N LYS A 394 7.569 -6.390 7.370 1.00 52.33 N ATOM 816 CA LYS A 394 8.083 -6.165 6.039 1.00 1.41 C ATOM 817 C LYS A 394 8.906 -7.356 5.585 1.00 13.04 C ATOM 818 O LYS A 394 8.844 -7.754 4.421 1.00 12.33 O ATOM 819 CB LYS A 394 8.936 -4.918 5.984 1.00 52.13 C ATOM 820 CG LYS A 394 8.167 -3.658 6.198 1.00 43.23 C ATOM 821 CD LYS A 394 9.052 -2.446 6.086 1.00 32.50 C ATOM 822 CE LYS A 394 8.238 -1.204 6.261 1.00 40.02 C ATOM 823 NZ LYS A 394 9.022 0.028 6.018 1.00 51.42 N ATOM 0 H LYS A 394 7.916 -5.742 8.077 1.00 52.33 H new ATOM 0 HA LYS A 394 7.230 -6.033 5.373 1.00 1.41 H new ATOM 0 HB2 LYS A 394 9.718 -4.989 6.740 1.00 52.13 H new ATOM 0 HB3 LYS A 394 9.433 -4.870 5.015 1.00 52.13 H new ATOM 0 HG2 LYS A 394 7.363 -3.592 5.465 1.00 43.23 H new ATOM 0 HG3 LYS A 394 7.699 -3.679 7.182 1.00 43.23 H new ATOM 0 HD2 LYS A 394 9.837 -2.487 6.842 1.00 32.50 H new ATOM 0 HD3 LYS A 394 9.546 -2.434 5.114 1.00 32.50 H new ATOM 0 HE2 LYS A 394 7.389 -1.231 5.578 1.00 40.02 H new ATOM 0 HE3 LYS A 394 7.833 -1.179 7.272 1.00 40.02 H new ATOM 0 HZ1 LYS A 394 8.412 0.860 6.152 1.00 51.42 H new ATOM 0 HZ2 LYS A 394 9.818 0.071 6.686 1.00 51.42 H new ATOM 0 HZ3 LYS A 394 9.388 0.020 5.044 1.00 51.42 H new ATOM 837 N ASN A 395 9.660 -7.938 6.520 1.00 42.13 N ATOM 838 CA ASN A 395 10.511 -9.101 6.225 1.00 42.12 C ATOM 839 C ASN A 395 9.646 -10.264 5.778 1.00 11.35 C ATOM 840 O ASN A 395 9.971 -10.979 4.819 1.00 13.03 O ATOM 841 CB ASN A 395 11.326 -9.490 7.467 1.00 54.25 C ATOM 842 CG ASN A 395 12.253 -10.672 7.240 1.00 51.32 C ATOM 843 OD1 ASN A 395 12.750 -10.897 6.134 1.00 11.24 O ATOM 844 ND2 ASN A 395 12.488 -11.433 8.275 1.00 2.12 N ATOM 0 H ASN A 395 9.701 -7.625 7.490 1.00 42.13 H new ATOM 0 HA ASN A 395 11.204 -8.844 5.424 1.00 42.12 H new ATOM 0 HB2 ASN A 395 11.917 -8.632 7.787 1.00 54.25 H new ATOM 0 HB3 ASN A 395 10.641 -9.727 8.281 1.00 54.25 H new ATOM 0 HD21 ASN A 395 13.100 -12.244 8.183 1.00 2.12 H new ATOM 0 HD22 ASN A 395 12.060 -11.217 9.175 1.00 2.12 H new ATOM 851 N SER A 396 8.533 -10.426 6.463 1.00 43.32 N ATOM 852 CA SER A 396 7.565 -11.442 6.154 1.00 42.44 C ATOM 853 C SER A 396 7.009 -11.232 4.714 1.00 64.01 C ATOM 854 O SER A 396 6.788 -12.197 3.959 1.00 31.13 O ATOM 855 CB SER A 396 6.451 -11.349 7.178 1.00 4.03 C ATOM 856 OG SER A 396 6.974 -11.370 8.502 1.00 31.13 O ATOM 0 H SER A 396 8.277 -9.844 7.261 1.00 43.32 H new ATOM 0 HA SER A 396 8.023 -12.431 6.191 1.00 42.44 H new ATOM 0 HB2 SER A 396 5.884 -10.432 7.021 1.00 4.03 H new ATOM 0 HB3 SER A 396 5.758 -12.179 7.043 1.00 4.03 H new ATOM 0 HG SER A 396 6.238 -11.307 9.146 1.00 31.13 H new ATOM 862 N ILE A 397 6.804 -9.971 4.343 1.00 34.41 N ATOM 863 CA ILE A 397 6.358 -9.622 3.002 1.00 24.10 C ATOM 864 C ILE A 397 7.428 -9.983 1.952 1.00 72.35 C ATOM 865 O ILE A 397 7.098 -10.594 0.934 1.00 62.42 O ATOM 866 CB ILE A 397 5.912 -8.124 2.901 1.00 34.32 C ATOM 867 CG1 ILE A 397 4.629 -7.912 3.725 1.00 34.55 C ATOM 868 CG2 ILE A 397 5.692 -7.695 1.448 1.00 55.33 C ATOM 869 CD1 ILE A 397 4.151 -6.486 3.798 1.00 32.53 C ATOM 0 H ILE A 397 6.942 -9.170 4.959 1.00 34.41 H new ATOM 0 HA ILE A 397 5.472 -10.219 2.784 1.00 24.10 H new ATOM 0 HB ILE A 397 6.711 -7.502 3.304 1.00 34.32 H new ATOM 0 HG12 ILE A 397 3.835 -8.525 3.298 1.00 34.55 H new ATOM 0 HG13 ILE A 397 4.801 -8.274 4.738 1.00 34.55 H new ATOM 0 HG21 ILE A 397 5.384 -6.650 1.420 1.00 55.33 H new ATOM 0 HG22 ILE A 397 6.620 -7.815 0.889 1.00 55.33 H new ATOM 0 HG23 ILE A 397 4.916 -8.315 0.999 1.00 55.33 H new ATOM 0 HD11 ILE A 397 3.243 -6.437 4.399 1.00 32.53 H new ATOM 0 HD12 ILE A 397 4.923 -5.867 4.255 1.00 32.53 H new ATOM 0 HD13 ILE A 397 3.941 -6.121 2.793 1.00 32.53 H new ATOM 881 N ARG A 398 8.719 -9.648 2.207 1.00 60.21 N ATOM 882 CA ARG A 398 9.779 -10.056 1.280 1.00 54.24 C ATOM 883 C ARG A 398 9.852 -11.554 1.113 1.00 35.41 C ATOM 884 O ARG A 398 10.142 -12.039 0.019 1.00 21.33 O ATOM 885 CB ARG A 398 11.181 -9.519 1.612 1.00 44.10 C ATOM 886 CG ARG A 398 11.446 -8.095 1.214 1.00 22.21 C ATOM 887 CD ARG A 398 10.928 -7.088 2.186 1.00 34.10 C ATOM 888 NE ARG A 398 11.706 -7.097 3.428 1.00 53.34 N ATOM 889 CZ ARG A 398 11.904 -6.025 4.204 1.00 65.01 C ATOM 890 NH1 ARG A 398 11.391 -4.851 3.867 1.00 20.20 N ATOM 891 NH2 ARG A 398 12.623 -6.123 5.309 1.00 54.32 N ATOM 0 H ARG A 398 9.033 -9.116 3.019 1.00 60.21 H new ATOM 0 HA ARG A 398 9.477 -9.591 0.341 1.00 54.24 H new ATOM 0 HB2 ARG A 398 11.340 -9.612 2.686 1.00 44.10 H new ATOM 0 HB3 ARG A 398 11.919 -10.156 1.124 1.00 44.10 H new ATOM 0 HG2 ARG A 398 12.521 -7.954 1.099 1.00 22.21 H new ATOM 0 HG3 ARG A 398 10.994 -7.911 0.239 1.00 22.21 H new ATOM 0 HD2 ARG A 398 10.965 -6.095 1.738 1.00 34.10 H new ATOM 0 HD3 ARG A 398 9.882 -7.299 2.408 1.00 34.10 H new ATOM 0 HE ARG A 398 12.125 -7.980 3.721 1.00 53.34 H new ATOM 0 HH11 ARG A 398 10.842 -4.761 3.012 1.00 20.20 H new ATOM 0 HH12 ARG A 398 11.545 -4.037 4.462 1.00 20.20 H new ATOM 0 HH21 ARG A 398 13.031 -7.020 5.574 1.00 54.32 H new ATOM 0 HH22 ARG A 398 12.770 -5.302 5.896 1.00 54.32 H new ATOM 905 N HIS A 399 9.582 -12.284 2.182 1.00 72.20 N ATOM 906 CA HIS A 399 9.608 -13.734 2.129 1.00 43.44 C ATOM 907 C HIS A 399 8.599 -14.239 1.100 1.00 65.41 C ATOM 908 O HIS A 399 8.907 -15.105 0.304 1.00 2.33 O ATOM 909 CB HIS A 399 9.319 -14.350 3.504 1.00 30.43 C ATOM 910 CG HIS A 399 9.537 -15.836 3.550 1.00 61.22 C ATOM 911 ND1 HIS A 399 8.519 -16.759 3.509 1.00 30.11 N ATOM 912 CD2 HIS A 399 10.678 -16.552 3.650 1.00 44.51 C ATOM 913 CE1 HIS A 399 9.023 -17.969 3.578 1.00 3.53 C ATOM 914 NE2 HIS A 399 10.330 -17.872 3.663 1.00 42.22 N ATOM 0 H HIS A 399 9.343 -11.897 3.095 1.00 72.20 H new ATOM 0 HA HIS A 399 10.610 -14.042 1.830 1.00 43.44 H new ATOM 0 HB2 HIS A 399 9.957 -13.874 4.249 1.00 30.43 H new ATOM 0 HB3 HIS A 399 8.288 -14.133 3.782 1.00 30.43 H new ATOM 0 HD2 HIS A 399 11.680 -16.154 3.709 1.00 44.51 H new ATOM 0 HE1 HIS A 399 8.458 -18.889 3.567 1.00 3.53 H new ATOM 0 HE2 HIS A 399 10.980 -18.656 3.728 1.00 42.22 H new ATOM 923 N ASN A 400 7.409 -13.659 1.104 1.00 72.05 N ATOM 924 CA ASN A 400 6.366 -14.052 0.158 1.00 33.24 C ATOM 925 C ASN A 400 6.652 -13.579 -1.242 1.00 1.23 C ATOM 926 O ASN A 400 6.376 -14.293 -2.208 1.00 54.01 O ATOM 927 CB ASN A 400 4.963 -13.634 0.605 1.00 3.55 C ATOM 928 CG ASN A 400 4.450 -14.480 1.741 1.00 3.34 C ATOM 929 OD1 ASN A 400 3.856 -15.529 1.520 1.00 71.24 O ATOM 930 ND2 ASN A 400 4.640 -14.031 2.943 1.00 4.44 N ATOM 0 H ASN A 400 7.138 -12.916 1.748 1.00 72.05 H new ATOM 0 HA ASN A 400 6.383 -15.142 0.147 1.00 33.24 H new ATOM 0 HB2 ASN A 400 4.978 -12.588 0.912 1.00 3.55 H new ATOM 0 HB3 ASN A 400 4.278 -13.709 -0.239 1.00 3.55 H new ATOM 0 HD21 ASN A 400 4.290 -14.556 3.745 1.00 4.44 H new ATOM 0 HD22 ASN A 400 5.139 -13.153 3.087 1.00 4.44 H new ATOM 937 N LEU A 401 7.223 -12.393 -1.360 1.00 73.22 N ATOM 938 CA LEU A 401 7.586 -11.838 -2.665 1.00 63.45 C ATOM 939 C LEU A 401 8.669 -12.686 -3.341 1.00 40.22 C ATOM 940 O LEU A 401 8.683 -12.842 -4.564 1.00 42.30 O ATOM 941 CB LEU A 401 8.037 -10.370 -2.531 1.00 44.10 C ATOM 942 CG LEU A 401 6.980 -9.385 -1.993 1.00 63.44 C ATOM 943 CD1 LEU A 401 7.549 -7.990 -1.860 1.00 4.15 C ATOM 944 CD2 LEU A 401 5.777 -9.350 -2.895 1.00 52.23 C ATOM 0 H LEU A 401 7.448 -11.789 -0.569 1.00 73.22 H new ATOM 0 HA LEU A 401 6.700 -11.861 -3.299 1.00 63.45 H new ATOM 0 HB2 LEU A 401 8.905 -10.336 -1.873 1.00 44.10 H new ATOM 0 HB3 LEU A 401 8.365 -10.021 -3.510 1.00 44.10 H new ATOM 0 HG LEU A 401 6.680 -9.737 -1.006 1.00 63.44 H new ATOM 0 HD11 LEU A 401 6.780 -7.318 -1.478 1.00 4.15 H new ATOM 0 HD12 LEU A 401 8.392 -8.005 -1.170 1.00 4.15 H new ATOM 0 HD13 LEU A 401 7.885 -7.640 -2.836 1.00 4.15 H new ATOM 0 HD21 LEU A 401 5.044 -8.649 -2.497 1.00 52.23 H new ATOM 0 HD22 LEU A 401 6.079 -9.031 -3.893 1.00 52.23 H new ATOM 0 HD23 LEU A 401 5.335 -10.345 -2.950 1.00 52.23 H new ATOM 1257 N TRP A 421 7.219 -3.406 -7.970 1.00 24.11 N ATOM 1258 CA TRP A 421 6.945 -4.653 -8.611 1.00 34.04 C ATOM 1259 C TRP A 421 5.480 -4.662 -9.016 1.00 45.23 C ATOM 1260 O TRP A 421 4.709 -3.805 -8.551 1.00 61.32 O ATOM 1261 CB TRP A 421 7.326 -5.852 -7.683 1.00 61.11 C ATOM 1262 CG TRP A 421 6.519 -5.994 -6.466 1.00 11.32 C ATOM 1263 CD1 TRP A 421 6.769 -5.455 -5.249 1.00 22.02 C ATOM 1264 CD2 TRP A 421 5.332 -6.756 -6.340 1.00 11.42 C ATOM 1265 NE1 TRP A 421 5.805 -5.845 -4.379 1.00 75.33 N ATOM 1266 CE2 TRP A 421 4.906 -6.637 -5.032 1.00 54.30 C ATOM 1267 CE3 TRP A 421 4.586 -7.525 -7.222 1.00 43.21 C ATOM 1268 CZ2 TRP A 421 3.763 -7.255 -4.571 1.00 40.01 C ATOM 1269 CZ3 TRP A 421 3.454 -8.138 -6.766 1.00 51.50 C ATOM 1270 CH2 TRP A 421 3.047 -8.002 -5.451 1.00 75.11 C ATOM 0 HA TRP A 421 7.555 -4.768 -9.507 1.00 34.04 H new ATOM 0 HB2 TRP A 421 7.247 -6.774 -8.259 1.00 61.11 H new ATOM 0 HB3 TRP A 421 8.372 -5.746 -7.394 1.00 61.11 H new ATOM 0 HD1 TRP A 421 7.605 -4.815 -5.009 1.00 22.02 H new ATOM 0 HE1 TRP A 421 5.759 -5.587 -3.393 1.00 75.33 H new ATOM 0 HE3 TRP A 421 4.895 -7.637 -8.251 1.00 43.21 H new ATOM 0 HZ2 TRP A 421 3.447 -7.149 -3.544 1.00 40.01 H new ATOM 0 HZ3 TRP A 421 2.866 -8.739 -7.444 1.00 51.50 H new ATOM 0 HH2 TRP A 421 2.146 -8.497 -5.119 1.00 75.11 H new ATOM 1281 N VAL A 422 5.090 -5.580 -9.871 1.00 55.33 N ATOM 1282 CA VAL A 422 3.722 -5.626 -10.360 1.00 21.15 C ATOM 1283 C VAL A 422 3.193 -7.050 -10.375 1.00 55.44 C ATOM 1284 O VAL A 422 3.957 -8.020 -10.467 1.00 62.53 O ATOM 1285 CB VAL A 422 3.579 -5.014 -11.799 1.00 31.20 C ATOM 1286 CG1 VAL A 422 3.930 -3.536 -11.812 1.00 52.43 C ATOM 1287 CG2 VAL A 422 4.444 -5.766 -12.808 1.00 11.20 C ATOM 0 H VAL A 422 5.698 -6.308 -10.245 1.00 55.33 H new ATOM 0 HA VAL A 422 3.134 -5.022 -9.669 1.00 21.15 H new ATOM 0 HB VAL A 422 2.534 -5.121 -12.090 1.00 31.20 H new ATOM 0 HG11 VAL A 422 3.820 -3.145 -12.823 1.00 52.43 H new ATOM 0 HG12 VAL A 422 3.262 -2.997 -11.140 1.00 52.43 H new ATOM 0 HG13 VAL A 422 4.960 -3.404 -11.482 1.00 52.43 H new ATOM 0 HG21 VAL A 422 4.324 -5.319 -13.795 1.00 11.20 H new ATOM 0 HG22 VAL A 422 5.490 -5.705 -12.507 1.00 11.20 H new ATOM 0 HG23 VAL A 422 4.137 -6.811 -12.843 1.00 11.20 H new ATOM 1297 N ILE A 423 1.899 -7.186 -10.271 1.00 31.12 N ATOM 1298 CA ILE A 423 1.309 -8.479 -10.364 1.00 41.21 C ATOM 1299 C ILE A 423 1.115 -8.838 -11.803 1.00 2.11 C ATOM 1300 O ILE A 423 0.463 -8.117 -12.566 1.00 74.41 O ATOM 1301 CB ILE A 423 -0.013 -8.637 -9.545 1.00 2.32 C ATOM 1302 CG1 ILE A 423 0.306 -8.546 -8.053 1.00 60.32 C ATOM 1303 CG2 ILE A 423 -0.706 -9.972 -9.864 1.00 20.11 C ATOM 1304 CD1 ILE A 423 -0.888 -8.656 -7.135 1.00 20.33 C ATOM 0 H ILE A 423 1.243 -6.419 -10.123 1.00 31.12 H new ATOM 0 HA ILE A 423 2.004 -9.181 -9.902 1.00 41.21 H new ATOM 0 HB ILE A 423 -0.697 -7.835 -9.822 1.00 2.32 H new ATOM 0 HG12 ILE A 423 1.013 -9.336 -7.800 1.00 60.32 H new ATOM 0 HG13 ILE A 423 0.806 -7.597 -7.861 1.00 60.32 H new ATOM 0 HG21 ILE A 423 -1.623 -10.055 -9.280 1.00 20.11 H new ATOM 0 HG22 ILE A 423 -0.948 -10.012 -10.926 1.00 20.11 H new ATOM 0 HG23 ILE A 423 -0.040 -10.797 -9.612 1.00 20.11 H new ATOM 0 HD11 ILE A 423 -0.558 -8.580 -6.099 1.00 20.33 H new ATOM 0 HD12 ILE A 423 -1.590 -7.851 -7.353 1.00 20.33 H new ATOM 0 HD13 ILE A 423 -1.379 -9.617 -7.290 1.00 20.33 H new