USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=13 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 359 SER OG : rot -90:sc= 1.29 USER MOD Set 1.2: A 365 MET CE :methyl -127:sc= -0.0255 (180deg=-0.436) USER MOD Single : A 342 ASN : amide:sc= -0.0234 X(o=-0.023,f=0.41) USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 349 TYR OH : rot 30:sc= -0.23 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 THR OG1 : rot -50:sc= 0.189 USER MOD Single : A 368 ASN : amide:sc= -0.0084 K(o=-0.0084,f=-0.94) USER MOD Single : A 371 TYR OH : rot 180:sc= -0.803 USER MOD Single : A 372 ASN : amide:sc= -1.57! K(o=-1.6!,f=-1) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 377 ASN : amide:sc= 0.867 K(o=0.87,f=0) USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 ASN : amide:sc= 0.0996 X(o=0.1,f=-0.0061) USER MOD Single : A 385 THR OG1 : rot -25:sc= 0.747 USER MOD Single : A 386 SER OG : rot 180:sc= 0 USER MOD Single : A 387 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 389 GLN : amide:sc= -2.23! K(o=-2.2!,f=-0.33) USER MOD Single : A 390 SER OG : rot 48:sc= -2.28! USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 395 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 396 SER OG : rot 71:sc= 0.229 USER MOD Single : A 399 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 400 ASN : amide:sc= -0.022 K(o=-0.022,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -1.143 -15.379 10.606 1.00 44.14 N ATOM 2 CA ASN A 342 -0.719 -14.145 9.944 1.00 54.14 C ATOM 3 C ASN A 342 -0.969 -12.991 10.882 1.00 31.40 C ATOM 4 O ASN A 342 -1.936 -13.026 11.629 1.00 2.10 O ATOM 5 CB ASN A 342 -1.487 -13.923 8.628 1.00 12.35 C ATOM 6 CG ASN A 342 -1.330 -15.066 7.642 1.00 63.02 C ATOM 7 OD1 ASN A 342 -0.403 -15.081 6.839 1.00 44.24 O ATOM 8 ND2 ASN A 342 -2.238 -16.015 7.681 1.00 50.33 N ATOM 0 HA ASN A 342 0.341 -14.218 9.700 1.00 54.14 H new ATOM 0 HB2 ASN A 342 -2.545 -13.788 8.851 1.00 12.35 H new ATOM 0 HB3 ASN A 342 -1.139 -13.001 8.163 1.00 12.35 H new ATOM 0 HD21 ASN A 342 -2.186 -16.798 7.029 1.00 50.33 H new ATOM 0 HD22 ASN A 342 -2.995 -15.969 8.363 1.00 50.33 H new ATOM 17 N PRO A 343 -0.111 -11.941 10.854 1.00 65.33 N ATOM 18 CA PRO A 343 -0.193 -10.802 11.797 1.00 2.42 C ATOM 19 C PRO A 343 -1.578 -10.132 11.862 1.00 41.24 C ATOM 20 O PRO A 343 -2.049 -9.773 12.934 1.00 53.35 O ATOM 21 CB PRO A 343 0.859 -9.805 11.265 1.00 74.31 C ATOM 22 CG PRO A 343 1.236 -10.295 9.906 1.00 22.24 C ATOM 23 CD PRO A 343 1.018 -11.780 9.919 1.00 0.25 C ATOM 0 HA PRO A 343 -0.016 -11.141 12.818 1.00 2.42 H new ATOM 0 HB2 PRO A 343 0.451 -8.795 11.217 1.00 74.31 H new ATOM 0 HB3 PRO A 343 1.728 -9.767 11.922 1.00 74.31 H new ATOM 0 HG2 PRO A 343 0.626 -9.819 9.138 1.00 22.24 H new ATOM 0 HG3 PRO A 343 2.275 -10.056 9.681 1.00 22.24 H new ATOM 0 HD2 PRO A 343 0.778 -12.161 8.927 1.00 0.25 H new ATOM 0 HD3 PRO A 343 1.904 -12.315 10.260 1.00 0.25 H new ATOM 31 N TRP A 344 -2.206 -9.978 10.722 1.00 1.13 N ATOM 32 CA TRP A 344 -3.512 -9.341 10.629 1.00 73.44 C ATOM 33 C TRP A 344 -4.650 -10.303 11.003 1.00 53.40 C ATOM 34 O TRP A 344 -5.642 -9.896 11.605 1.00 33.32 O ATOM 35 CB TRP A 344 -3.715 -8.793 9.208 1.00 1.23 C ATOM 36 CG TRP A 344 -3.461 -9.820 8.134 1.00 24.42 C ATOM 37 CD1 TRP A 344 -4.323 -10.763 7.673 1.00 1.41 C ATOM 38 CD2 TRP A 344 -2.257 -9.988 7.381 1.00 32.21 C ATOM 39 NE1 TRP A 344 -3.713 -11.513 6.721 1.00 42.13 N ATOM 40 CE2 TRP A 344 -2.457 -11.052 6.514 1.00 74.23 C ATOM 41 CE3 TRP A 344 -1.042 -9.343 7.366 1.00 75.41 C ATOM 42 CZ2 TRP A 344 -1.482 -11.486 5.638 1.00 60.11 C ATOM 43 CZ3 TRP A 344 -0.070 -9.770 6.489 1.00 70.30 C ATOM 44 CH2 TRP A 344 -0.301 -10.832 5.636 1.00 33.42 C ATOM 0 H TRP A 344 -1.831 -10.289 9.826 1.00 1.13 H new ATOM 0 HA TRP A 344 -3.540 -8.520 11.346 1.00 73.44 H new ATOM 0 HB2 TRP A 344 -4.735 -8.420 9.111 1.00 1.23 H new ATOM 0 HB3 TRP A 344 -3.049 -7.944 9.054 1.00 1.23 H new ATOM 0 HD1 TRP A 344 -5.340 -10.896 8.013 1.00 1.41 H new ATOM 0 HE1 TRP A 344 -4.136 -12.304 6.235 1.00 42.13 H new ATOM 0 HE3 TRP A 344 -0.853 -8.514 8.032 1.00 75.41 H new ATOM 0 HZ2 TRP A 344 -1.658 -12.321 4.976 1.00 60.11 H new ATOM 0 HZ3 TRP A 344 0.886 -9.268 6.468 1.00 70.30 H new ATOM 0 HH2 TRP A 344 0.477 -11.145 4.955 1.00 33.42 H new ATOM 55 N GLY A 345 -4.490 -11.569 10.660 1.00 42.21 N ATOM 56 CA GLY A 345 -5.531 -12.529 10.892 1.00 14.11 C ATOM 57 C GLY A 345 -5.357 -13.776 10.049 1.00 61.12 C ATOM 58 O GLY A 345 -4.256 -14.328 9.972 1.00 15.11 O ATOM 0 H GLY A 345 -3.649 -11.946 10.222 1.00 42.21 H new ATOM 0 HA2 GLY A 345 -5.541 -12.804 11.947 1.00 14.11 H new ATOM 0 HA3 GLY A 345 -6.497 -12.075 10.672 1.00 14.11 H new ATOM 62 N ALA A 346 -6.424 -14.190 9.381 1.00 43.01 N ATOM 63 CA ALA A 346 -6.431 -15.439 8.621 1.00 13.44 C ATOM 64 C ALA A 346 -6.239 -15.254 7.108 1.00 45.54 C ATOM 65 O ALA A 346 -6.038 -16.239 6.386 1.00 12.33 O ATOM 66 CB ALA A 346 -7.704 -16.212 8.900 1.00 22.11 C ATOM 0 H ALA A 346 -7.305 -13.677 9.348 1.00 43.01 H new ATOM 0 HA ALA A 346 -5.565 -16.005 8.963 1.00 13.44 H new ATOM 0 HB1 ALA A 346 -7.699 -17.140 8.329 1.00 22.11 H new ATOM 0 HB2 ALA A 346 -7.765 -16.441 9.964 1.00 22.11 H new ATOM 0 HB3 ALA A 346 -8.566 -15.612 8.608 1.00 22.11 H new ATOM 72 N GLU A 347 -6.348 -14.024 6.607 1.00 2.41 N ATOM 73 CA GLU A 347 -6.078 -13.772 5.185 1.00 60.14 C ATOM 74 C GLU A 347 -4.622 -14.068 4.892 1.00 65.34 C ATOM 75 O GLU A 347 -3.802 -14.068 5.801 1.00 14.01 O ATOM 76 CB GLU A 347 -6.403 -12.323 4.758 1.00 14.02 C ATOM 77 CG GLU A 347 -7.872 -11.920 4.843 1.00 75.20 C ATOM 78 CD GLU A 347 -8.398 -11.746 6.248 1.00 21.50 C ATOM 79 OE1 GLU A 347 -8.873 -12.720 6.858 1.00 21.03 O ATOM 80 OE2 GLU A 347 -8.371 -10.615 6.748 1.00 33.04 O ATOM 0 H GLU A 347 -6.615 -13.201 7.147 1.00 2.41 H new ATOM 0 HA GLU A 347 -6.731 -14.429 4.611 1.00 60.14 H new ATOM 0 HB2 GLU A 347 -5.822 -11.642 5.380 1.00 14.02 H new ATOM 0 HB3 GLU A 347 -6.066 -12.183 3.731 1.00 14.02 H new ATOM 0 HG2 GLU A 347 -8.010 -10.985 4.299 1.00 75.20 H new ATOM 0 HG3 GLU A 347 -8.472 -12.676 4.336 1.00 75.20 H new ATOM 87 N SER A 348 -4.292 -14.291 3.667 1.00 15.41 N ATOM 88 CA SER A 348 -2.939 -14.610 3.342 1.00 23.14 C ATOM 89 C SER A 348 -2.227 -13.341 2.948 1.00 14.42 C ATOM 90 O SER A 348 -2.886 -12.322 2.662 1.00 44.34 O ATOM 91 CB SER A 348 -2.907 -15.615 2.205 1.00 11.15 C ATOM 92 OG SER A 348 -3.668 -16.769 2.528 1.00 60.12 O ATOM 0 H SER A 348 -4.934 -14.260 2.875 1.00 15.41 H new ATOM 0 HA SER A 348 -2.439 -15.053 4.203 1.00 23.14 H new ATOM 0 HB2 SER A 348 -3.301 -15.157 1.298 1.00 11.15 H new ATOM 0 HB3 SER A 348 -1.876 -15.901 1.996 1.00 11.15 H new ATOM 0 HG SER A 348 -3.635 -17.402 1.781 1.00 60.12 H new ATOM 98 N TYR A 349 -0.907 -13.378 2.951 1.00 64.25 N ATOM 99 CA TYR A 349 -0.107 -12.244 2.550 1.00 44.33 C ATOM 100 C TYR A 349 -0.492 -11.834 1.182 1.00 12.50 C ATOM 101 O TYR A 349 -0.958 -10.735 0.987 1.00 31.52 O ATOM 102 CB TYR A 349 1.400 -12.554 2.587 1.00 33.11 C ATOM 103 CG TYR A 349 1.976 -12.786 3.957 1.00 30.41 C ATOM 104 CD1 TYR A 349 1.872 -14.017 4.583 1.00 60.24 C ATOM 105 CD2 TYR A 349 2.639 -11.765 4.619 1.00 12.31 C ATOM 106 CE1 TYR A 349 2.411 -14.223 5.835 1.00 1.34 C ATOM 107 CE2 TYR A 349 3.175 -11.963 5.871 1.00 74.10 C ATOM 108 CZ TYR A 349 3.058 -13.196 6.473 1.00 13.44 C ATOM 109 OH TYR A 349 3.602 -13.408 7.719 1.00 40.14 O ATOM 0 H TYR A 349 -0.364 -14.195 3.231 1.00 64.25 H new ATOM 0 HA TYR A 349 -0.295 -11.437 3.259 1.00 44.33 H new ATOM 0 HB2 TYR A 349 1.587 -13.438 1.978 1.00 33.11 H new ATOM 0 HB3 TYR A 349 1.936 -11.727 2.121 1.00 33.11 H new ATOM 0 HD1 TYR A 349 1.361 -14.827 4.083 1.00 60.24 H new ATOM 0 HD2 TYR A 349 2.737 -10.799 4.145 1.00 12.31 H new ATOM 0 HE1 TYR A 349 2.324 -15.189 6.311 1.00 1.34 H new ATOM 0 HE2 TYR A 349 3.684 -11.157 6.378 1.00 74.10 H new ATOM 0 HH TYR A 349 3.874 -14.346 7.802 1.00 40.14 H new ATOM 119 N SER A 350 -0.352 -12.747 0.248 1.00 55.42 N ATOM 120 CA SER A 350 -0.650 -12.503 -1.137 1.00 40.04 C ATOM 121 C SER A 350 -2.085 -11.979 -1.338 1.00 20.10 C ATOM 122 O SER A 350 -2.331 -11.214 -2.250 1.00 65.24 O ATOM 123 CB SER A 350 -0.387 -13.754 -1.943 1.00 23.41 C ATOM 124 OG SER A 350 0.952 -14.196 -1.738 1.00 44.03 O ATOM 0 H SER A 350 -0.022 -13.694 0.437 1.00 55.42 H new ATOM 0 HA SER A 350 0.010 -11.714 -1.497 1.00 40.04 H new ATOM 0 HB2 SER A 350 -1.086 -14.538 -1.651 1.00 23.41 H new ATOM 0 HB3 SER A 350 -0.555 -13.556 -3.002 1.00 23.41 H new ATOM 0 HG SER A 350 1.112 -15.008 -2.263 1.00 44.03 H new ATOM 130 N ASP A 351 -3.019 -12.374 -0.454 1.00 3.02 N ATOM 131 CA ASP A 351 -4.389 -11.836 -0.505 1.00 25.45 C ATOM 132 C ASP A 351 -4.398 -10.357 -0.232 1.00 32.14 C ATOM 133 O ASP A 351 -4.936 -9.573 -1.021 1.00 74.34 O ATOM 134 CB ASP A 351 -5.357 -12.550 0.457 1.00 13.13 C ATOM 135 CG ASP A 351 -5.764 -13.902 -0.022 1.00 55.12 C ATOM 136 OD1 ASP A 351 -6.530 -13.988 -1.001 1.00 74.31 O ATOM 137 OD2 ASP A 351 -5.325 -14.894 0.557 1.00 2.11 O ATOM 0 H ASP A 351 -2.855 -13.051 0.291 1.00 3.02 H new ATOM 0 HA ASP A 351 -4.745 -12.022 -1.518 1.00 25.45 H new ATOM 0 HB2 ASP A 351 -4.885 -12.644 1.435 1.00 13.13 H new ATOM 0 HB3 ASP A 351 -6.247 -11.935 0.591 1.00 13.13 H new ATOM 142 N LEU A 352 -3.788 -9.955 0.865 1.00 11.10 N ATOM 143 CA LEU A 352 -3.728 -8.552 1.191 1.00 24.25 C ATOM 144 C LEU A 352 -2.765 -7.782 0.291 1.00 52.05 C ATOM 145 O LEU A 352 -3.017 -6.625 -0.040 1.00 23.33 O ATOM 146 CB LEU A 352 -3.384 -8.326 2.634 1.00 13.41 C ATOM 147 CG LEU A 352 -4.407 -8.728 3.681 1.00 2.32 C ATOM 148 CD1 LEU A 352 -3.905 -8.304 5.019 1.00 45.34 C ATOM 149 CD2 LEU A 352 -5.754 -8.093 3.405 1.00 14.32 C ATOM 0 H LEU A 352 -3.333 -10.574 1.536 1.00 11.10 H new ATOM 0 HA LEU A 352 -4.730 -8.162 1.012 1.00 24.25 H new ATOM 0 HB2 LEU A 352 -2.460 -8.864 2.846 1.00 13.41 H new ATOM 0 HB3 LEU A 352 -3.172 -7.265 2.765 1.00 13.41 H new ATOM 0 HG LEU A 352 -4.542 -9.809 3.652 1.00 2.32 H new ATOM 0 HD11 LEU A 352 -4.628 -8.585 5.785 1.00 45.34 H new ATOM 0 HD12 LEU A 352 -2.953 -8.794 5.222 1.00 45.34 H new ATOM 0 HD13 LEU A 352 -3.767 -7.223 5.030 1.00 45.34 H new ATOM 0 HD21 LEU A 352 -6.465 -8.400 4.172 1.00 14.32 H new ATOM 0 HD22 LEU A 352 -5.654 -7.008 3.417 1.00 14.32 H new ATOM 0 HD23 LEU A 352 -6.114 -8.414 2.427 1.00 14.32 H new ATOM 161 N ILE A 353 -1.676 -8.426 -0.101 1.00 63.41 N ATOM 162 CA ILE A 353 -0.701 -7.823 -1.005 1.00 12.04 C ATOM 163 C ILE A 353 -1.375 -7.510 -2.319 1.00 44.13 C ATOM 164 O ILE A 353 -1.181 -6.434 -2.882 1.00 22.23 O ATOM 165 CB ILE A 353 0.506 -8.765 -1.261 1.00 4.11 C ATOM 166 CG1 ILE A 353 1.270 -9.031 0.043 1.00 23.14 C ATOM 167 CG2 ILE A 353 1.432 -8.169 -2.307 1.00 21.24 C ATOM 168 CD1 ILE A 353 2.340 -10.097 -0.063 1.00 1.23 C ATOM 0 H ILE A 353 -1.442 -9.374 0.194 1.00 63.41 H new ATOM 0 HA ILE A 353 -0.324 -6.913 -0.539 1.00 12.04 H new ATOM 0 HB ILE A 353 0.126 -9.715 -1.636 1.00 4.11 H new ATOM 0 HG12 ILE A 353 1.733 -8.101 0.374 1.00 23.14 H new ATOM 0 HG13 ILE A 353 0.557 -9.325 0.814 1.00 23.14 H new ATOM 0 HG21 ILE A 353 2.273 -8.842 -2.474 1.00 21.24 H new ATOM 0 HG22 ILE A 353 0.886 -8.031 -3.240 1.00 21.24 H new ATOM 0 HG23 ILE A 353 1.803 -7.205 -1.958 1.00 21.24 H new ATOM 0 HD11 ILE A 353 2.829 -10.219 0.904 1.00 1.23 H new ATOM 0 HD12 ILE A 353 1.885 -11.041 -0.362 1.00 1.23 H new ATOM 0 HD13 ILE A 353 3.078 -9.799 -0.807 1.00 1.23 H new ATOM 180 N ALA A 354 -2.187 -8.450 -2.793 1.00 75.45 N ATOM 181 CA ALA A 354 -2.931 -8.253 -4.004 1.00 71.34 C ATOM 182 C ALA A 354 -3.877 -7.086 -3.853 1.00 61.33 C ATOM 183 O ALA A 354 -4.010 -6.327 -4.757 1.00 15.21 O ATOM 184 CB ALA A 354 -3.683 -9.506 -4.414 1.00 43.11 C ATOM 0 H ALA A 354 -2.338 -9.354 -2.345 1.00 75.45 H new ATOM 0 HA ALA A 354 -2.219 -8.029 -4.799 1.00 71.34 H new ATOM 0 HB1 ALA A 354 -4.233 -9.315 -5.335 1.00 43.11 H new ATOM 0 HB2 ALA A 354 -2.975 -10.319 -4.576 1.00 43.11 H new ATOM 0 HB3 ALA A 354 -4.382 -9.786 -3.625 1.00 43.11 H new ATOM 190 N LYS A 355 -4.511 -6.938 -2.664 1.00 5.11 N ATOM 191 CA LYS A 355 -5.422 -5.795 -2.414 1.00 44.31 C ATOM 192 C LYS A 355 -4.664 -4.481 -2.490 1.00 74.25 C ATOM 193 O LYS A 355 -5.183 -3.482 -2.992 1.00 33.31 O ATOM 194 CB LYS A 355 -6.076 -5.845 -1.035 1.00 14.32 C ATOM 195 CG LYS A 355 -6.939 -7.037 -0.729 1.00 73.14 C ATOM 196 CD LYS A 355 -7.533 -6.917 0.671 1.00 55.40 C ATOM 197 CE LYS A 355 -8.519 -5.768 0.781 1.00 74.20 C ATOM 198 NZ LYS A 355 -9.092 -5.658 2.140 1.00 5.43 N ATOM 0 H LYS A 355 -4.412 -7.581 -1.879 1.00 5.11 H new ATOM 0 HA LYS A 355 -6.192 -5.864 -3.183 1.00 44.31 H new ATOM 0 HB2 LYS A 355 -5.287 -5.797 -0.285 1.00 14.32 H new ATOM 0 HB3 LYS A 355 -6.684 -4.948 -0.916 1.00 14.32 H new ATOM 0 HG2 LYS A 355 -7.739 -7.113 -1.465 1.00 73.14 H new ATOM 0 HG3 LYS A 355 -6.349 -7.950 -0.804 1.00 73.14 H new ATOM 0 HD2 LYS A 355 -8.034 -7.849 0.932 1.00 55.40 H new ATOM 0 HD3 LYS A 355 -6.729 -6.774 1.393 1.00 55.40 H new ATOM 0 HE2 LYS A 355 -8.019 -4.835 0.522 1.00 74.20 H new ATOM 0 HE3 LYS A 355 -9.323 -5.910 0.059 1.00 74.20 H new ATOM 0 HZ1 LYS A 355 -9.760 -4.861 2.172 1.00 5.43 H new ATOM 0 HZ2 LYS A 355 -9.592 -6.538 2.378 1.00 5.43 H new ATOM 0 HZ3 LYS A 355 -8.328 -5.497 2.827 1.00 5.43 H new ATOM 212 N ALA A 356 -3.452 -4.483 -1.963 1.00 52.41 N ATOM 213 CA ALA A 356 -2.613 -3.300 -1.976 1.00 23.23 C ATOM 214 C ALA A 356 -2.245 -2.958 -3.386 1.00 73.04 C ATOM 215 O ALA A 356 -2.491 -1.847 -3.853 1.00 42.33 O ATOM 216 CB ALA A 356 -1.353 -3.522 -1.140 1.00 1.55 C ATOM 0 H ALA A 356 -3.026 -5.296 -1.519 1.00 52.41 H new ATOM 0 HA ALA A 356 -3.170 -2.471 -1.539 1.00 23.23 H new ATOM 0 HB1 ALA A 356 -0.738 -2.623 -1.163 1.00 1.55 H new ATOM 0 HB2 ALA A 356 -1.634 -3.743 -0.110 1.00 1.55 H new ATOM 0 HB3 ALA A 356 -0.787 -4.359 -1.549 1.00 1.55 H new ATOM 222 N LEU A 357 -1.723 -3.947 -4.070 1.00 42.30 N ATOM 223 CA LEU A 357 -1.260 -3.844 -5.445 1.00 52.44 C ATOM 224 C LEU A 357 -2.433 -3.384 -6.306 1.00 44.21 C ATOM 225 O LEU A 357 -2.290 -2.557 -7.184 1.00 10.34 O ATOM 226 CB LEU A 357 -0.837 -5.249 -5.868 1.00 0.43 C ATOM 227 CG LEU A 357 0.345 -5.411 -6.860 1.00 41.32 C ATOM 228 CD1 LEU A 357 0.030 -4.825 -8.229 1.00 63.33 C ATOM 229 CD2 LEU A 357 1.623 -4.784 -6.297 1.00 53.41 C ATOM 0 H LEU A 357 -1.602 -4.880 -3.677 1.00 42.30 H new ATOM 0 HA LEU A 357 -0.434 -3.141 -5.551 1.00 52.44 H new ATOM 0 HB2 LEU A 357 -0.586 -5.804 -4.964 1.00 0.43 H new ATOM 0 HB3 LEU A 357 -1.707 -5.736 -6.310 1.00 0.43 H new ATOM 0 HG LEU A 357 0.504 -6.482 -6.988 1.00 41.32 H new ATOM 0 HD11 LEU A 357 0.886 -4.962 -8.889 1.00 63.33 H new ATOM 0 HD12 LEU A 357 -0.838 -5.332 -8.651 1.00 63.33 H new ATOM 0 HD13 LEU A 357 -0.184 -3.761 -8.129 1.00 63.33 H new ATOM 0 HD21 LEU A 357 2.436 -4.911 -7.012 1.00 53.41 H new ATOM 0 HD22 LEU A 357 1.459 -3.721 -6.119 1.00 53.41 H new ATOM 0 HD23 LEU A 357 1.885 -5.273 -5.359 1.00 53.41 H new ATOM 241 N LYS A 358 -3.598 -3.915 -5.970 1.00 32.23 N ATOM 242 CA LYS A 358 -4.847 -3.675 -6.600 1.00 14.40 C ATOM 243 C LYS A 358 -5.245 -2.199 -6.654 1.00 3.32 C ATOM 244 O LYS A 358 -5.978 -1.787 -7.558 1.00 52.45 O ATOM 245 CB LYS A 358 -5.875 -4.494 -5.866 1.00 5.34 C ATOM 246 CG LYS A 358 -7.255 -4.227 -6.214 1.00 40.02 C ATOM 247 CD LYS A 358 -8.188 -5.111 -5.405 1.00 12.32 C ATOM 248 CE LYS A 358 -9.635 -4.904 -5.784 1.00 30.22 C ATOM 249 NZ LYS A 358 -10.525 -5.791 -5.013 1.00 24.01 N ATOM 0 H LYS A 358 -3.680 -4.569 -5.192 1.00 32.23 H new ATOM 0 HA LYS A 358 -4.773 -3.969 -7.647 1.00 14.40 H new ATOM 0 HB2 LYS A 358 -5.671 -5.549 -6.049 1.00 5.34 H new ATOM 0 HB3 LYS A 358 -5.750 -4.326 -4.796 1.00 5.34 H new ATOM 0 HG2 LYS A 358 -7.487 -3.178 -6.029 1.00 40.02 H new ATOM 0 HG3 LYS A 358 -7.409 -4.404 -7.278 1.00 40.02 H new ATOM 0 HD2 LYS A 358 -7.919 -6.156 -5.557 1.00 12.32 H new ATOM 0 HD3 LYS A 358 -8.058 -4.900 -4.344 1.00 12.32 H new ATOM 0 HE2 LYS A 358 -9.914 -3.865 -5.609 1.00 30.22 H new ATOM 0 HE3 LYS A 358 -9.764 -5.093 -6.850 1.00 30.22 H new ATOM 0 HZ1 LYS A 358 -11.512 -5.624 -5.297 1.00 24.01 H new ATOM 0 HZ2 LYS A 358 -10.274 -6.783 -5.200 1.00 24.01 H new ATOM 0 HZ3 LYS A 358 -10.418 -5.592 -3.998 1.00 24.01 H new ATOM 263 N SER A 359 -4.736 -1.398 -5.735 1.00 30.33 N ATOM 264 CA SER A 359 -5.084 0.024 -5.710 1.00 41.21 C ATOM 265 C SER A 359 -4.456 0.775 -6.920 1.00 65.10 C ATOM 266 O SER A 359 -4.730 1.958 -7.148 1.00 20.11 O ATOM 267 CB SER A 359 -4.675 0.666 -4.364 1.00 60.31 C ATOM 268 OG SER A 359 -3.265 0.638 -4.163 1.00 22.51 O ATOM 0 H SER A 359 -4.090 -1.695 -5.004 1.00 30.33 H new ATOM 0 HA SER A 359 -6.167 0.112 -5.801 1.00 41.21 H new ATOM 0 HB2 SER A 359 -5.024 1.698 -4.334 1.00 60.31 H new ATOM 0 HB3 SER A 359 -5.168 0.139 -3.547 1.00 60.31 H new ATOM 0 HG SER A 359 -3.018 -0.187 -3.695 1.00 22.51 H new ATOM 274 N THR A 360 -3.621 0.064 -7.668 1.00 2.53 N ATOM 275 CA THR A 360 -2.962 0.557 -8.855 1.00 51.22 C ATOM 276 C THR A 360 -2.538 -0.705 -9.670 1.00 74.23 C ATOM 277 O THR A 360 -1.517 -0.733 -10.361 1.00 32.11 O ATOM 278 CB THR A 360 -1.714 1.400 -8.433 1.00 2.30 C ATOM 279 OG1 THR A 360 -1.101 2.021 -9.581 1.00 75.04 O ATOM 280 CG2 THR A 360 -0.697 0.524 -7.713 1.00 4.04 C ATOM 0 H THR A 360 -3.381 -0.903 -7.451 1.00 2.53 H new ATOM 0 HA THR A 360 -3.607 1.200 -9.454 1.00 51.22 H new ATOM 0 HB THR A 360 -2.052 2.183 -7.754 1.00 2.30 H new ATOM 0 HG1 THR A 360 -0.965 1.350 -10.282 1.00 75.04 H new ATOM 0 HG21 THR A 360 0.165 1.127 -7.427 1.00 4.04 H new ATOM 0 HG22 THR A 360 -1.153 0.096 -6.820 1.00 4.04 H new ATOM 0 HG23 THR A 360 -0.374 -0.279 -8.376 1.00 4.04 H new ATOM 288 N PHE A 361 -3.423 -1.695 -9.635 1.00 63.40 N ATOM 289 CA PHE A 361 -3.194 -3.078 -10.126 1.00 74.34 C ATOM 290 C PHE A 361 -2.711 -3.129 -11.574 1.00 51.34 C ATOM 291 O PHE A 361 -1.956 -4.037 -11.971 1.00 4.23 O ATOM 292 CB PHE A 361 -4.506 -3.841 -10.024 1.00 15.21 C ATOM 293 CG PHE A 361 -4.363 -5.335 -9.978 1.00 42.21 C ATOM 294 CD1 PHE A 361 -3.756 -5.942 -8.895 1.00 2.33 C ATOM 295 CD2 PHE A 361 -4.856 -6.129 -10.991 1.00 52.34 C ATOM 296 CE1 PHE A 361 -3.641 -7.303 -8.822 1.00 45.02 C ATOM 297 CE2 PHE A 361 -4.739 -7.501 -10.926 1.00 31.52 C ATOM 298 CZ PHE A 361 -4.132 -8.087 -9.838 1.00 62.14 C ATOM 0 H PHE A 361 -4.360 -1.567 -9.252 1.00 63.40 H new ATOM 0 HA PHE A 361 -2.411 -3.521 -9.511 1.00 74.34 H new ATOM 0 HB2 PHE A 361 -5.032 -3.513 -9.128 1.00 15.21 H new ATOM 0 HB3 PHE A 361 -5.132 -3.576 -10.876 1.00 15.21 H new ATOM 0 HD1 PHE A 361 -3.366 -5.332 -8.094 1.00 2.33 H new ATOM 0 HD2 PHE A 361 -5.338 -5.672 -11.843 1.00 52.34 H new ATOM 0 HE1 PHE A 361 -3.165 -7.761 -7.967 1.00 45.02 H new ATOM 0 HE2 PHE A 361 -5.123 -8.115 -11.727 1.00 31.52 H new ATOM 0 HZ PHE A 361 -4.042 -9.162 -9.783 1.00 62.14 H new ATOM 308 N ASP A 362 -3.113 -2.155 -12.337 1.00 74.24 N ATOM 309 CA ASP A 362 -2.824 -2.134 -13.768 1.00 11.32 C ATOM 310 C ASP A 362 -1.578 -1.342 -14.063 1.00 73.33 C ATOM 311 O ASP A 362 -1.152 -1.222 -15.214 1.00 34.23 O ATOM 312 CB ASP A 362 -4.012 -1.605 -14.585 1.00 71.10 C ATOM 313 CG ASP A 362 -5.235 -2.497 -14.497 1.00 44.22 C ATOM 314 OD1 ASP A 362 -5.343 -3.472 -15.284 1.00 45.12 O ATOM 315 OD2 ASP A 362 -6.127 -2.235 -13.652 1.00 73.35 O ATOM 0 H ASP A 362 -3.647 -1.353 -12.003 1.00 74.24 H new ATOM 0 HA ASP A 362 -2.650 -3.166 -14.072 1.00 11.32 H new ATOM 0 HB2 ASP A 362 -4.271 -0.606 -14.234 1.00 71.10 H new ATOM 0 HB3 ASP A 362 -3.714 -1.508 -15.629 1.00 71.10 H new ATOM 320 N GLY A 363 -0.997 -0.804 -13.034 1.00 13.52 N ATOM 321 CA GLY A 363 0.222 -0.100 -13.163 1.00 4.24 C ATOM 322 C GLY A 363 1.308 -0.849 -12.456 1.00 0.11 C ATOM 323 O GLY A 363 1.685 -1.953 -12.870 1.00 63.42 O ATOM 0 H GLY A 363 -1.364 -0.846 -12.083 1.00 13.52 H new ATOM 0 HA2 GLY A 363 0.475 0.020 -14.216 1.00 4.24 H new ATOM 0 HA3 GLY A 363 0.123 0.901 -12.743 1.00 4.24 H new ATOM 327 N ARG A 364 1.772 -0.298 -11.378 1.00 44.50 N ATOM 328 CA ARG A 364 2.844 -0.881 -10.605 1.00 71.10 C ATOM 329 C ARG A 364 2.814 -0.319 -9.215 1.00 32.34 C ATOM 330 O ARG A 364 2.374 0.813 -9.033 1.00 71.01 O ATOM 331 CB ARG A 364 4.211 -0.642 -11.316 1.00 1.14 C ATOM 332 CG ARG A 364 4.582 0.828 -11.653 1.00 31.31 C ATOM 333 CD ARG A 364 4.994 1.649 -10.436 1.00 25.35 C ATOM 334 NE ARG A 364 5.172 3.062 -10.767 1.00 63.43 N ATOM 335 CZ ARG A 364 5.121 4.070 -9.877 1.00 52.32 C ATOM 336 NH1 ARG A 364 4.851 3.827 -8.595 1.00 1.43 N ATOM 337 NH2 ARG A 364 5.317 5.310 -10.277 1.00 3.54 N ATOM 0 H ARG A 364 1.418 0.580 -10.999 1.00 44.50 H new ATOM 0 HA ARG A 364 2.711 -1.960 -10.531 1.00 71.10 H new ATOM 0 HB2 ARG A 364 4.998 -1.054 -10.684 1.00 1.14 H new ATOM 0 HB3 ARG A 364 4.215 -1.214 -12.244 1.00 1.14 H new ATOM 0 HG2 ARG A 364 5.398 0.831 -12.376 1.00 31.31 H new ATOM 0 HG3 ARG A 364 3.729 1.308 -12.133 1.00 31.31 H new ATOM 0 HD2 ARG A 364 4.237 1.551 -9.658 1.00 25.35 H new ATOM 0 HD3 ARG A 364 5.923 1.252 -10.028 1.00 25.35 H new ATOM 0 HE ARG A 364 5.348 3.301 -11.743 1.00 63.43 H new ATOM 0 HH11 ARG A 364 4.681 2.871 -8.282 1.00 1.43 H new ATOM 0 HH12 ARG A 364 4.814 4.597 -7.927 1.00 1.43 H new ATOM 0 HH21 ARG A 364 5.507 5.505 -11.260 1.00 3.54 H new ATOM 0 HH22 ARG A 364 5.279 6.075 -9.604 1.00 3.54 H new ATOM 351 N MET A 365 3.247 -1.064 -8.237 1.00 24.11 N ATOM 352 CA MET A 365 3.242 -0.523 -6.913 1.00 64.23 C ATOM 353 C MET A 365 4.606 -0.659 -6.325 1.00 31.22 C ATOM 354 O MET A 365 5.279 -1.679 -6.522 1.00 12.24 O ATOM 355 CB MET A 365 2.211 -1.196 -6.017 1.00 42.42 C ATOM 356 CG MET A 365 1.783 -0.330 -4.858 1.00 60.33 C ATOM 357 SD MET A 365 0.493 -1.071 -3.872 1.00 61.25 S ATOM 358 CE MET A 365 0.098 0.286 -2.788 1.00 71.20 C ATOM 0 H MET A 365 3.597 -2.018 -8.328 1.00 24.11 H new ATOM 0 HA MET A 365 2.964 0.529 -6.979 1.00 64.23 H new ATOM 0 HB2 MET A 365 1.335 -1.456 -6.612 1.00 42.42 H new ATOM 0 HB3 MET A 365 2.625 -2.129 -5.633 1.00 42.42 H new ATOM 0 HG2 MET A 365 2.647 -0.128 -4.224 1.00 60.33 H new ATOM 0 HG3 MET A 365 1.435 0.631 -5.238 1.00 60.33 H new ATOM 0 HE1 MET A 365 0.150 -0.049 -1.752 1.00 71.20 H new ATOM 0 HE2 MET A 365 0.811 1.096 -2.944 1.00 71.20 H new ATOM 0 HE3 MET A 365 -0.909 0.643 -3.004 1.00 71.20 H new ATOM 368 N ARG A 366 5.036 0.356 -5.641 1.00 61.13 N ATOM 369 CA ARG A 366 6.310 0.323 -5.031 1.00 72.34 C ATOM 370 C ARG A 366 6.262 -0.461 -3.762 1.00 14.04 C ATOM 371 O ARG A 366 5.245 -0.446 -3.047 1.00 63.11 O ATOM 372 CB ARG A 366 6.867 1.707 -4.820 1.00 41.53 C ATOM 373 CG ARG A 366 7.079 2.411 -6.131 1.00 70.44 C ATOM 374 CD ARG A 366 7.876 3.658 -5.979 1.00 3.42 C ATOM 375 NE ARG A 366 7.236 4.686 -5.157 1.00 40.25 N ATOM 376 CZ ARG A 366 7.823 5.845 -4.813 1.00 32.42 C ATOM 377 NH1 ARG A 366 9.032 6.145 -5.294 1.00 11.13 N ATOM 378 NH2 ARG A 366 7.188 6.713 -4.020 1.00 15.12 N ATOM 0 H ARG A 366 4.512 1.219 -5.496 1.00 61.13 H new ATOM 0 HA ARG A 366 6.996 -0.183 -5.710 1.00 72.34 H new ATOM 0 HB2 ARG A 366 6.184 2.286 -4.199 1.00 41.53 H new ATOM 0 HB3 ARG A 366 7.812 1.644 -4.281 1.00 41.53 H new ATOM 0 HG2 ARG A 366 7.587 1.740 -6.823 1.00 70.44 H new ATOM 0 HG3 ARG A 366 6.112 2.652 -6.572 1.00 70.44 H new ATOM 0 HD2 ARG A 366 8.841 3.407 -5.539 1.00 3.42 H new ATOM 0 HD3 ARG A 366 8.074 4.071 -6.968 1.00 3.42 H new ATOM 0 HE ARG A 366 6.287 4.512 -4.825 1.00 40.25 H new ATOM 0 HH11 ARG A 366 9.507 5.495 -5.921 1.00 11.13 H new ATOM 0 HH12 ARG A 366 9.480 7.024 -5.035 1.00 11.13 H new ATOM 0 HH21 ARG A 366 6.253 6.497 -3.673 1.00 15.12 H new ATOM 0 HH22 ARG A 366 7.638 7.591 -3.762 1.00 15.12 H new ATOM 392 N LEU A 367 7.342 -1.136 -3.483 1.00 33.44 N ATOM 393 CA LEU A 367 7.460 -2.033 -2.354 1.00 40.31 C ATOM 394 C LEU A 367 7.167 -1.313 -1.036 1.00 71.04 C ATOM 395 O LEU A 367 6.448 -1.838 -0.178 1.00 30.54 O ATOM 396 CB LEU A 367 8.846 -2.695 -2.405 1.00 51.21 C ATOM 397 CG LEU A 367 9.238 -3.708 -1.321 1.00 65.44 C ATOM 398 CD1 LEU A 367 8.147 -4.748 -1.099 1.00 63.23 C ATOM 399 CD2 LEU A 367 10.493 -4.417 -1.777 1.00 51.23 C ATOM 0 H LEU A 367 8.191 -1.080 -4.046 1.00 33.44 H new ATOM 0 HA LEU A 367 6.709 -2.821 -2.411 1.00 40.31 H new ATOM 0 HB2 LEU A 367 8.933 -3.197 -3.369 1.00 51.21 H new ATOM 0 HB3 LEU A 367 9.590 -1.898 -2.392 1.00 51.21 H new ATOM 0 HG LEU A 367 9.392 -3.174 -0.383 1.00 65.44 H new ATOM 0 HD11 LEU A 367 8.463 -5.447 -0.324 1.00 63.23 H new ATOM 0 HD12 LEU A 367 7.229 -4.251 -0.787 1.00 63.23 H new ATOM 0 HD13 LEU A 367 7.968 -5.291 -2.027 1.00 63.23 H new ATOM 0 HD21 LEU A 367 10.794 -5.144 -1.023 1.00 51.23 H new ATOM 0 HD22 LEU A 367 10.299 -4.930 -2.719 1.00 51.23 H new ATOM 0 HD23 LEU A 367 11.292 -3.689 -1.918 1.00 51.23 H new ATOM 411 N ASN A 368 7.668 -0.094 -0.903 1.00 4.04 N ATOM 412 CA ASN A 368 7.392 0.709 0.290 1.00 54.34 C ATOM 413 C ASN A 368 5.938 1.133 0.372 1.00 74.40 C ATOM 414 O ASN A 368 5.367 1.205 1.459 1.00 32.41 O ATOM 415 CB ASN A 368 8.290 1.944 0.393 1.00 30.41 C ATOM 416 CG ASN A 368 9.743 1.620 0.638 1.00 22.01 C ATOM 417 OD1 ASN A 368 10.077 0.598 1.240 1.00 5.04 O ATOM 418 ND2 ASN A 368 10.610 2.490 0.217 1.00 64.31 N ATOM 0 H ASN A 368 8.262 0.362 -1.596 1.00 4.04 H new ATOM 0 HA ASN A 368 7.615 0.055 1.133 1.00 54.34 H new ATOM 0 HB2 ASN A 368 8.206 2.521 -0.528 1.00 30.41 H new ATOM 0 HB3 ASN A 368 7.927 2.579 1.201 1.00 30.41 H new ATOM 0 HD21 ASN A 368 11.605 2.339 0.381 1.00 64.31 H new ATOM 0 HD22 ASN A 368 10.296 3.325 -0.278 1.00 64.31 H new ATOM 425 N GLU A 369 5.326 1.385 -0.773 1.00 32.54 N ATOM 426 CA GLU A 369 3.954 1.855 -0.800 1.00 63.33 C ATOM 427 C GLU A 369 2.971 0.751 -0.454 1.00 62.51 C ATOM 428 O GLU A 369 1.913 1.016 0.124 1.00 54.32 O ATOM 429 CB GLU A 369 3.626 2.561 -2.108 1.00 61.13 C ATOM 430 CG GLU A 369 4.487 3.794 -2.320 1.00 2.44 C ATOM 431 CD GLU A 369 4.133 4.567 -3.550 1.00 62.30 C ATOM 432 OE1 GLU A 369 4.669 4.271 -4.616 1.00 71.55 O ATOM 433 OE2 GLU A 369 3.325 5.505 -3.464 1.00 23.34 O ATOM 0 H GLU A 369 5.756 1.272 -1.691 1.00 32.54 H new ATOM 0 HA GLU A 369 3.848 2.606 -0.017 1.00 63.33 H new ATOM 0 HB2 GLU A 369 3.771 1.871 -2.939 1.00 61.13 H new ATOM 0 HB3 GLU A 369 2.574 2.848 -2.111 1.00 61.13 H new ATOM 0 HG2 GLU A 369 4.393 4.446 -1.452 1.00 2.44 H new ATOM 0 HG3 GLU A 369 5.532 3.491 -2.380 1.00 2.44 H new ATOM 440 N ILE A 370 3.311 -0.481 -0.817 1.00 4.10 N ATOM 441 CA ILE A 370 2.561 -1.652 -0.366 1.00 32.33 C ATOM 442 C ILE A 370 2.537 -1.696 1.155 1.00 24.34 C ATOM 443 O ILE A 370 1.484 -1.865 1.760 1.00 62.55 O ATOM 444 CB ILE A 370 3.181 -2.941 -0.930 1.00 34.45 C ATOM 445 CG1 ILE A 370 3.019 -2.925 -2.438 1.00 23.21 C ATOM 446 CG2 ILE A 370 2.570 -4.221 -0.302 1.00 5.23 C ATOM 447 CD1 ILE A 370 3.647 -4.069 -3.115 1.00 53.44 C ATOM 0 H ILE A 370 4.102 -0.697 -1.423 1.00 4.10 H new ATOM 0 HA ILE A 370 1.538 -1.577 -0.734 1.00 32.33 H new ATOM 0 HB ILE A 370 4.239 -2.969 -0.670 1.00 34.45 H new ATOM 0 HG12 ILE A 370 1.956 -2.911 -2.680 1.00 23.21 H new ATOM 0 HG13 ILE A 370 3.448 -2.003 -2.830 1.00 23.21 H new ATOM 0 HG21 ILE A 370 3.044 -5.101 -0.736 1.00 5.23 H new ATOM 0 HG22 ILE A 370 2.737 -4.213 0.775 1.00 5.23 H new ATOM 0 HG23 ILE A 370 1.499 -4.249 -0.503 1.00 5.23 H new ATOM 0 HD11 ILE A 370 3.489 -3.987 -4.190 1.00 53.44 H new ATOM 0 HD12 ILE A 370 4.717 -4.074 -2.905 1.00 53.44 H new ATOM 0 HD13 ILE A 370 3.202 -4.996 -2.752 1.00 53.44 H new ATOM 459 N TYR A 371 3.700 -1.505 1.769 1.00 72.33 N ATOM 460 CA TYR A 371 3.787 -1.467 3.228 1.00 74.34 C ATOM 461 C TYR A 371 2.909 -0.349 3.799 1.00 40.12 C ATOM 462 O TYR A 371 2.249 -0.522 4.832 1.00 60.13 O ATOM 463 CB TYR A 371 5.225 -1.288 3.712 1.00 24.43 C ATOM 464 CG TYR A 371 6.196 -2.379 3.317 1.00 12.13 C ATOM 465 CD1 TYR A 371 5.881 -3.715 3.478 1.00 73.02 C ATOM 466 CD2 TYR A 371 7.440 -2.061 2.795 1.00 52.13 C ATOM 467 CE1 TYR A 371 6.776 -4.697 3.131 1.00 3.51 C ATOM 468 CE2 TYR A 371 8.342 -3.040 2.450 1.00 44.43 C ATOM 469 CZ TYR A 371 8.007 -4.355 2.621 1.00 72.13 C ATOM 470 OH TYR A 371 8.900 -5.335 2.284 1.00 73.02 O ATOM 0 H TYR A 371 4.589 -1.375 1.286 1.00 72.33 H new ATOM 0 HA TYR A 371 3.425 -2.430 3.590 1.00 74.34 H new ATOM 0 HB2 TYR A 371 5.601 -0.339 3.331 1.00 24.43 H new ATOM 0 HB3 TYR A 371 5.215 -1.213 4.799 1.00 24.43 H new ATOM 0 HD1 TYR A 371 4.918 -3.990 3.882 1.00 73.02 H new ATOM 0 HD2 TYR A 371 7.706 -1.024 2.656 1.00 52.13 H new ATOM 0 HE1 TYR A 371 6.514 -5.737 3.258 1.00 3.51 H new ATOM 0 HE2 TYR A 371 9.308 -2.773 2.047 1.00 44.43 H new ATOM 0 HH TYR A 371 9.720 -4.925 1.938 1.00 73.02 H new ATOM 480 N ASN A 372 2.898 0.781 3.116 1.00 25.11 N ATOM 481 CA ASN A 372 2.083 1.936 3.527 1.00 34.54 C ATOM 482 C ASN A 372 0.596 1.573 3.519 1.00 11.22 C ATOM 483 O ASN A 372 -0.165 2.002 4.404 1.00 5.52 O ATOM 484 CB ASN A 372 2.300 3.162 2.614 1.00 15.24 C ATOM 485 CG ASN A 372 3.725 3.688 2.572 1.00 40.02 C ATOM 486 OD1 ASN A 372 4.497 3.547 3.524 1.00 20.02 O ATOM 487 ND2 ASN A 372 4.071 4.333 1.479 1.00 53.52 N ATOM 0 H ASN A 372 3.444 0.935 2.268 1.00 25.11 H new ATOM 0 HA ASN A 372 2.402 2.198 4.536 1.00 34.54 H new ATOM 0 HB2 ASN A 372 1.996 2.900 1.601 1.00 15.24 H new ATOM 0 HB3 ASN A 372 1.642 3.965 2.947 1.00 15.24 H new ATOM 0 HD21 ASN A 372 5.004 4.736 1.399 1.00 53.52 H new ATOM 0 HD22 ASN A 372 3.406 4.430 0.712 1.00 53.52 H new ATOM 494 N TRP A 373 0.194 0.778 2.518 1.00 72.03 N ATOM 495 CA TRP A 373 -1.189 0.326 2.365 1.00 11.22 C ATOM 496 C TRP A 373 -1.624 -0.429 3.595 1.00 55.44 C ATOM 497 O TRP A 373 -2.657 -0.115 4.186 1.00 61.04 O ATOM 498 CB TRP A 373 -1.324 -0.577 1.131 1.00 24.15 C ATOM 499 CG TRP A 373 -2.731 -1.076 0.850 1.00 62.43 C ATOM 500 CD1 TRP A 373 -3.640 -0.513 0.010 1.00 5.11 C ATOM 501 CD2 TRP A 373 -3.375 -2.255 1.402 1.00 74.33 C ATOM 502 NE1 TRP A 373 -4.795 -1.255 -0.010 1.00 35.51 N ATOM 503 CE2 TRP A 373 -4.658 -2.330 0.839 1.00 62.45 C ATOM 504 CE3 TRP A 373 -2.982 -3.246 2.310 1.00 74.44 C ATOM 505 CZ2 TRP A 373 -5.552 -3.361 1.154 1.00 44.13 C ATOM 506 CZ3 TRP A 373 -3.868 -4.263 2.620 1.00 52.14 C ATOM 507 CH2 TRP A 373 -5.139 -4.314 2.041 1.00 0.15 C ATOM 0 H TRP A 373 0.822 0.432 1.793 1.00 72.03 H new ATOM 0 HA TRP A 373 -1.826 1.200 2.234 1.00 11.22 H new ATOM 0 HB2 TRP A 373 -0.968 -0.029 0.258 1.00 24.15 H new ATOM 0 HB3 TRP A 373 -0.668 -1.438 1.256 1.00 24.15 H new ATOM 0 HD1 TRP A 373 -3.477 0.389 -0.560 1.00 5.11 H new ATOM 0 HE1 TRP A 373 -5.624 -1.043 -0.566 1.00 35.51 H new ATOM 0 HE3 TRP A 373 -2.002 -3.217 2.762 1.00 74.44 H new ATOM 0 HZ2 TRP A 373 -6.536 -3.401 0.710 1.00 44.13 H new ATOM 0 HZ3 TRP A 373 -3.572 -5.030 3.321 1.00 52.14 H new ATOM 0 HH2 TRP A 373 -5.807 -5.122 2.300 1.00 0.15 H new ATOM 518 N PHE A 374 -0.824 -1.413 3.983 1.00 34.41 N ATOM 519 CA PHE A 374 -1.113 -2.243 5.149 1.00 61.22 C ATOM 520 C PHE A 374 -1.231 -1.427 6.405 1.00 52.10 C ATOM 521 O PHE A 374 -2.140 -1.623 7.185 1.00 54.33 O ATOM 522 CB PHE A 374 -0.058 -3.333 5.347 1.00 1.24 C ATOM 523 CG PHE A 374 -0.091 -4.463 4.366 1.00 44.14 C ATOM 524 CD1 PHE A 374 0.465 -4.339 3.115 1.00 2.03 C ATOM 525 CD2 PHE A 374 -0.672 -5.665 4.715 1.00 1.42 C ATOM 526 CE1 PHE A 374 0.439 -5.392 2.225 1.00 21.22 C ATOM 527 CE2 PHE A 374 -0.698 -6.718 3.837 1.00 15.53 C ATOM 528 CZ PHE A 374 -0.142 -6.584 2.587 1.00 13.30 C ATOM 0 H PHE A 374 0.041 -1.659 3.502 1.00 34.41 H new ATOM 0 HA PHE A 374 -2.074 -2.717 4.951 1.00 61.22 H new ATOM 0 HB2 PHE A 374 0.928 -2.869 5.304 1.00 1.24 H new ATOM 0 HB3 PHE A 374 -0.173 -3.745 6.350 1.00 1.24 H new ATOM 0 HD1 PHE A 374 0.927 -3.407 2.826 1.00 2.03 H new ATOM 0 HD2 PHE A 374 -1.113 -5.778 5.694 1.00 1.42 H new ATOM 0 HE1 PHE A 374 0.875 -5.280 1.243 1.00 21.22 H new ATOM 0 HE2 PHE A 374 -1.155 -7.652 4.127 1.00 15.53 H new ATOM 0 HZ PHE A 374 -0.162 -7.411 1.893 1.00 13.30 H new ATOM 538 N ALA A 375 -0.323 -0.504 6.585 1.00 3.22 N ATOM 539 CA ALA A 375 -0.318 0.325 7.780 1.00 75.32 C ATOM 540 C ALA A 375 -1.590 1.165 7.875 1.00 62.51 C ATOM 541 O ALA A 375 -2.151 1.336 8.949 1.00 21.41 O ATOM 542 CB ALA A 375 0.919 1.209 7.813 1.00 64.04 C ATOM 0 H ALA A 375 0.427 -0.301 5.924 1.00 3.22 H new ATOM 0 HA ALA A 375 -0.291 -0.335 8.647 1.00 75.32 H new ATOM 0 HB1 ALA A 375 0.904 1.822 8.714 1.00 64.04 H new ATOM 0 HB2 ALA A 375 1.812 0.585 7.813 1.00 64.04 H new ATOM 0 HB3 ALA A 375 0.928 1.855 6.935 1.00 64.04 H new ATOM 548 N SER A 376 -2.039 1.675 6.761 1.00 32.33 N ATOM 549 CA SER A 376 -3.223 2.489 6.752 1.00 2.41 C ATOM 550 C SER A 376 -4.516 1.645 6.800 1.00 23.14 C ATOM 551 O SER A 376 -5.444 1.968 7.538 1.00 55.51 O ATOM 552 CB SER A 376 -3.225 3.439 5.541 1.00 43.32 C ATOM 553 OG SER A 376 -4.321 4.340 5.588 1.00 44.52 O ATOM 0 H SER A 376 -1.603 1.541 5.848 1.00 32.33 H new ATOM 0 HA SER A 376 -3.206 3.090 7.661 1.00 2.41 H new ATOM 0 HB2 SER A 376 -2.291 4.001 5.517 1.00 43.32 H new ATOM 0 HB3 SER A 376 -3.271 2.857 4.621 1.00 43.32 H new ATOM 0 HG SER A 376 -4.293 4.930 4.806 1.00 44.52 H new ATOM 559 N ASN A 377 -4.553 0.548 6.045 1.00 3.24 N ATOM 560 CA ASN A 377 -5.792 -0.233 5.899 1.00 53.15 C ATOM 561 C ASN A 377 -5.933 -1.331 6.928 1.00 24.41 C ATOM 562 O ASN A 377 -6.986 -1.952 7.037 1.00 22.42 O ATOM 563 CB ASN A 377 -5.923 -0.805 4.475 1.00 75.42 C ATOM 564 CG ASN A 377 -6.133 0.270 3.417 1.00 2.30 C ATOM 565 OD1 ASN A 377 -7.266 0.618 3.089 1.00 44.25 O ATOM 566 ND2 ASN A 377 -5.057 0.800 2.885 1.00 32.12 N ATOM 0 H ASN A 377 -3.754 0.179 5.529 1.00 3.24 H new ATOM 0 HA ASN A 377 -6.609 0.466 6.077 1.00 53.15 H new ATOM 0 HB2 ASN A 377 -5.025 -1.373 4.234 1.00 75.42 H new ATOM 0 HB3 ASN A 377 -6.759 -1.503 4.446 1.00 75.42 H new ATOM 0 HD21 ASN A 377 -5.144 1.526 2.174 1.00 32.12 H new ATOM 0 HD22 ASN A 377 -4.133 0.486 3.182 1.00 32.12 H new ATOM 573 N VAL A 378 -4.887 -1.597 7.660 1.00 25.54 N ATOM 574 CA VAL A 378 -4.932 -2.596 8.697 1.00 44.34 C ATOM 575 C VAL A 378 -4.513 -1.965 10.020 1.00 42.45 C ATOM 576 O VAL A 378 -3.350 -1.562 10.184 1.00 62.32 O ATOM 577 CB VAL A 378 -4.025 -3.822 8.379 1.00 31.13 C ATOM 578 CG1 VAL A 378 -4.119 -4.871 9.477 1.00 23.42 C ATOM 579 CG2 VAL A 378 -4.389 -4.435 7.033 1.00 52.52 C ATOM 0 H VAL A 378 -3.985 -1.133 7.558 1.00 25.54 H new ATOM 0 HA VAL A 378 -5.956 -2.965 8.762 1.00 44.34 H new ATOM 0 HB VAL A 378 -2.996 -3.467 8.330 1.00 31.13 H new ATOM 0 HG11 VAL A 378 -3.476 -5.716 9.229 1.00 23.42 H new ATOM 0 HG12 VAL A 378 -3.799 -4.436 10.424 1.00 23.42 H new ATOM 0 HG13 VAL A 378 -5.150 -5.214 9.566 1.00 23.42 H new ATOM 0 HG21 VAL A 378 -3.741 -5.289 6.835 1.00 52.52 H new ATOM 0 HG22 VAL A 378 -5.428 -4.764 7.052 1.00 52.52 H new ATOM 0 HG23 VAL A 378 -4.259 -3.691 6.247 1.00 52.52 H new ATOM 589 N PRO A 379 -5.459 -1.860 10.978 1.00 44.50 N ATOM 590 CA PRO A 379 -5.217 -1.239 12.284 1.00 53.22 C ATOM 591 C PRO A 379 -4.008 -1.829 13.023 1.00 3.40 C ATOM 592 O PRO A 379 -3.307 -1.119 13.762 1.00 10.11 O ATOM 593 CB PRO A 379 -6.500 -1.483 13.085 1.00 75.22 C ATOM 594 CG PRO A 379 -7.506 -2.076 12.151 1.00 31.44 C ATOM 595 CD PRO A 379 -6.849 -2.323 10.823 1.00 60.43 C ATOM 0 HA PRO A 379 -4.982 -0.182 12.160 1.00 53.22 H new ATOM 0 HB2 PRO A 379 -6.308 -2.157 13.920 1.00 75.22 H new ATOM 0 HB3 PRO A 379 -6.872 -0.549 13.507 1.00 75.22 H new ATOM 0 HG2 PRO A 379 -7.895 -3.009 12.559 1.00 31.44 H new ATOM 0 HG3 PRO A 379 -8.354 -1.402 12.033 1.00 31.44 H new ATOM 0 HD2 PRO A 379 -6.883 -3.380 10.559 1.00 60.43 H new ATOM 0 HD3 PRO A 379 -7.357 -1.779 10.027 1.00 60.43 H new ATOM 603 N TYR A 380 -3.763 -3.116 12.819 1.00 61.42 N ATOM 604 CA TYR A 380 -2.635 -3.796 13.417 1.00 0.34 C ATOM 605 C TYR A 380 -1.317 -3.177 12.921 1.00 65.44 C ATOM 606 O TYR A 380 -0.384 -2.941 13.706 1.00 2.42 O ATOM 607 CB TYR A 380 -2.703 -5.280 13.059 1.00 14.25 C ATOM 608 CG TYR A 380 -1.641 -6.129 13.692 1.00 64.42 C ATOM 609 CD1 TYR A 380 -1.730 -6.488 15.018 1.00 0.42 C ATOM 610 CD2 TYR A 380 -0.555 -6.578 12.963 1.00 24.21 C ATOM 611 CE1 TYR A 380 -0.772 -7.269 15.610 1.00 15.13 C ATOM 612 CE2 TYR A 380 0.410 -7.365 13.543 1.00 41.20 C ATOM 613 CZ TYR A 380 0.299 -7.711 14.868 1.00 31.22 C ATOM 614 OH TYR A 380 1.259 -8.506 15.451 1.00 5.54 O ATOM 0 H TYR A 380 -4.345 -3.714 12.232 1.00 61.42 H new ATOM 0 HA TYR A 380 -2.671 -3.686 14.501 1.00 0.34 H new ATOM 0 HB2 TYR A 380 -3.679 -5.666 13.352 1.00 14.25 H new ATOM 0 HB3 TYR A 380 -2.632 -5.382 11.976 1.00 14.25 H new ATOM 0 HD1 TYR A 380 -2.571 -6.147 15.603 1.00 0.42 H new ATOM 0 HD2 TYR A 380 -0.464 -6.306 11.922 1.00 24.21 H new ATOM 0 HE1 TYR A 380 -0.857 -7.536 16.653 1.00 15.13 H new ATOM 0 HE2 TYR A 380 1.252 -7.710 12.961 1.00 41.20 H new ATOM 0 HH TYR A 380 1.945 -8.730 14.788 1.00 5.54 H new ATOM 624 N PHE A 381 -1.245 -2.908 11.625 1.00 72.20 N ATOM 625 CA PHE A 381 -0.070 -2.329 11.026 1.00 11.22 C ATOM 626 C PHE A 381 0.049 -0.856 11.286 1.00 33.10 C ATOM 627 O PHE A 381 1.149 -0.322 11.324 1.00 22.54 O ATOM 628 CB PHE A 381 0.074 -2.688 9.576 1.00 23.45 C ATOM 629 CG PHE A 381 0.203 -4.153 9.388 1.00 63.00 C ATOM 630 CD1 PHE A 381 1.118 -4.867 10.134 1.00 60.35 C ATOM 631 CD2 PHE A 381 -0.571 -4.819 8.479 1.00 64.42 C ATOM 632 CE1 PHE A 381 1.254 -6.213 9.972 1.00 63.11 C ATOM 633 CE2 PHE A 381 -0.438 -6.165 8.311 1.00 61.32 C ATOM 634 CZ PHE A 381 0.482 -6.863 9.065 1.00 21.00 C ATOM 0 H PHE A 381 -2.003 -3.088 10.967 1.00 72.20 H new ATOM 0 HA PHE A 381 0.784 -2.783 11.529 1.00 11.22 H new ATOM 0 HB2 PHE A 381 -0.792 -2.324 9.023 1.00 23.45 H new ATOM 0 HB3 PHE A 381 0.950 -2.189 9.162 1.00 23.45 H new ATOM 0 HD1 PHE A 381 1.735 -4.352 10.856 1.00 60.35 H new ATOM 0 HD2 PHE A 381 -1.294 -4.274 7.889 1.00 64.42 H new ATOM 0 HE1 PHE A 381 1.973 -6.760 10.563 1.00 63.11 H new ATOM 0 HE2 PHE A 381 -1.052 -6.684 7.589 1.00 61.32 H new ATOM 0 HZ PHE A 381 0.588 -7.930 8.933 1.00 21.00 H new ATOM 644 N GLY A 382 -1.084 -0.194 11.458 1.00 22.11 N ATOM 645 CA GLY A 382 -1.081 1.218 11.842 1.00 74.12 C ATOM 646 C GLY A 382 -0.493 1.391 13.238 1.00 72.13 C ATOM 647 O GLY A 382 -0.101 2.480 13.647 1.00 44.03 O ATOM 0 H GLY A 382 -2.011 -0.602 11.340 1.00 22.11 H new ATOM 0 HA2 GLY A 382 -0.500 1.795 11.122 1.00 74.12 H new ATOM 0 HA3 GLY A 382 -2.098 1.609 11.818 1.00 74.12 H new ATOM 651 N ASN A 383 -0.445 0.292 13.950 1.00 74.25 N ATOM 652 CA ASN A 383 0.124 0.186 15.251 1.00 11.22 C ATOM 653 C ASN A 383 1.616 -0.241 15.159 1.00 74.30 C ATOM 654 O ASN A 383 2.370 -0.149 16.116 1.00 42.53 O ATOM 655 CB ASN A 383 -0.753 -0.811 16.034 1.00 5.44 C ATOM 656 CG ASN A 383 -0.045 -1.591 17.085 1.00 1.31 C ATOM 657 OD1 ASN A 383 0.075 -1.174 18.231 1.00 32.20 O ATOM 658 ND2 ASN A 383 0.386 -2.761 16.705 1.00 31.54 N ATOM 0 H ASN A 383 -0.824 -0.592 13.611 1.00 74.25 H new ATOM 0 HA ASN A 383 0.134 1.141 15.775 1.00 11.22 H new ATOM 0 HB2 ASN A 383 -1.570 -0.262 16.501 1.00 5.44 H new ATOM 0 HB3 ASN A 383 -1.201 -1.509 15.327 1.00 5.44 H new ATOM 0 HD21 ASN A 383 0.848 -3.376 17.374 1.00 31.54 H new ATOM 0 HD22 ASN A 383 0.261 -3.061 15.738 1.00 31.54 H new ATOM 665 N ARG A 384 2.014 -0.706 13.989 1.00 44.43 N ATOM 666 CA ARG A 384 3.392 -1.112 13.720 1.00 22.53 C ATOM 667 C ARG A 384 3.983 -0.356 12.534 1.00 20.52 C ATOM 668 O ARG A 384 4.572 -0.964 11.650 1.00 12.01 O ATOM 669 CB ARG A 384 3.494 -2.609 13.456 1.00 3.44 C ATOM 670 CG ARG A 384 3.273 -3.496 14.654 1.00 13.23 C ATOM 671 CD ARG A 384 3.575 -4.933 14.290 1.00 41.02 C ATOM 672 NE ARG A 384 3.500 -5.824 15.438 1.00 42.31 N ATOM 673 CZ ARG A 384 4.163 -6.980 15.552 1.00 35.50 C ATOM 674 NH1 ARG A 384 4.991 -7.385 14.590 1.00 1.23 N ATOM 675 NH2 ARG A 384 4.012 -7.721 16.633 1.00 24.54 N ATOM 0 H ARG A 384 1.390 -0.815 13.190 1.00 44.43 H new ATOM 0 HA ARG A 384 3.963 -0.867 14.616 1.00 22.53 H new ATOM 0 HB2 ARG A 384 2.766 -2.875 12.689 1.00 3.44 H new ATOM 0 HB3 ARG A 384 4.481 -2.821 13.046 1.00 3.44 H new ATOM 0 HG2 ARG A 384 3.913 -3.177 15.477 1.00 13.23 H new ATOM 0 HG3 ARG A 384 2.243 -3.407 14.999 1.00 13.23 H new ATOM 0 HD2 ARG A 384 2.871 -5.267 13.528 1.00 41.02 H new ATOM 0 HD3 ARG A 384 4.571 -4.992 13.852 1.00 41.02 H new ATOM 0 HE ARG A 384 2.897 -5.547 16.213 1.00 42.31 H new ATOM 0 HH11 ARG A 384 5.124 -6.812 13.757 1.00 1.23 H new ATOM 0 HH12 ARG A 384 5.492 -8.268 14.687 1.00 1.23 H new ATOM 0 HH21 ARG A 384 3.390 -7.412 17.380 1.00 24.54 H new ATOM 0 HH22 ARG A 384 4.517 -8.603 16.721 1.00 24.54 H new ATOM 689 N THR A 385 3.842 0.943 12.512 1.00 54.05 N ATOM 690 CA THR A 385 4.316 1.721 11.440 1.00 13.22 C ATOM 691 C THR A 385 5.729 2.321 11.738 1.00 61.42 C ATOM 692 O THR A 385 6.351 2.960 10.864 1.00 74.20 O ATOM 693 CB THR A 385 3.332 2.828 11.210 1.00 51.33 C ATOM 694 OG1 THR A 385 1.999 2.300 11.344 1.00 75.25 O ATOM 695 CG2 THR A 385 3.471 3.338 9.833 1.00 33.31 C ATOM 0 H THR A 385 3.389 1.479 13.252 1.00 54.05 H new ATOM 0 HA THR A 385 4.415 1.091 10.556 1.00 13.22 H new ATOM 0 HB THR A 385 3.516 3.625 11.931 1.00 51.33 H new ATOM 0 HG1 THR A 385 2.007 1.339 11.152 1.00 75.25 H new ATOM 0 HG21 THR A 385 2.754 4.143 9.669 1.00 33.31 H new ATOM 0 HG22 THR A 385 4.482 3.717 9.686 1.00 33.31 H new ATOM 0 HG23 THR A 385 3.279 2.532 9.125 1.00 33.31 H new ATOM 703 N SER A 386 6.240 2.098 12.944 1.00 50.50 N ATOM 704 CA SER A 386 7.533 2.636 13.322 1.00 10.54 C ATOM 705 C SER A 386 8.610 1.734 12.711 1.00 22.24 C ATOM 706 O SER A 386 8.333 0.580 12.435 1.00 51.23 O ATOM 707 CB SER A 386 7.634 2.692 14.852 1.00 62.35 C ATOM 708 OG SER A 386 8.819 3.325 15.289 1.00 45.45 O ATOM 0 H SER A 386 5.778 1.551 13.670 1.00 50.50 H new ATOM 0 HA SER A 386 7.668 3.652 12.950 1.00 10.54 H new ATOM 0 HB2 SER A 386 6.771 3.225 15.251 1.00 62.35 H new ATOM 0 HB3 SER A 386 7.596 1.679 15.254 1.00 62.35 H new ATOM 0 HG SER A 386 8.840 3.340 16.269 1.00 45.45 H new ATOM 714 N GLN A 387 9.824 2.244 12.512 1.00 30.14 N ATOM 715 CA GLN A 387 10.884 1.489 11.802 1.00 3.53 C ATOM 716 C GLN A 387 11.117 0.073 12.335 1.00 14.53 C ATOM 717 O GLN A 387 11.024 -0.899 11.570 1.00 22.32 O ATOM 718 CB GLN A 387 12.200 2.266 11.733 1.00 74.34 C ATOM 719 CG GLN A 387 12.123 3.524 10.893 1.00 35.21 C ATOM 720 CD GLN A 387 13.442 4.261 10.797 1.00 42.22 C ATOM 721 OE1 GLN A 387 14.263 4.230 11.718 1.00 34.22 O ATOM 722 NE2 GLN A 387 13.665 4.906 9.685 1.00 21.13 N ATOM 0 H GLN A 387 10.109 3.172 12.826 1.00 30.14 H new ATOM 0 HA GLN A 387 10.499 1.370 10.789 1.00 3.53 H new ATOM 0 HB2 GLN A 387 12.507 2.534 12.744 1.00 74.34 H new ATOM 0 HB3 GLN A 387 12.974 1.616 11.327 1.00 74.34 H new ATOM 0 HG2 GLN A 387 11.787 3.263 9.890 1.00 35.21 H new ATOM 0 HG3 GLN A 387 11.372 4.191 11.317 1.00 35.21 H new ATOM 0 HE21 GLN A 387 12.961 4.908 8.947 1.00 21.13 H new ATOM 0 HE22 GLN A 387 14.543 5.408 9.554 1.00 21.13 H new ATOM 731 N GLU A 388 11.347 -0.061 13.623 1.00 10.23 N ATOM 732 CA GLU A 388 11.608 -1.378 14.204 1.00 72.45 C ATOM 733 C GLU A 388 10.329 -2.179 14.317 1.00 3.43 C ATOM 734 O GLU A 388 10.342 -3.415 14.247 1.00 64.41 O ATOM 735 CB GLU A 388 12.252 -1.257 15.576 1.00 4.14 C ATOM 736 CG GLU A 388 13.576 -0.534 15.587 1.00 11.53 C ATOM 737 CD GLU A 388 14.172 -0.481 16.962 1.00 12.43 C ATOM 738 OE1 GLU A 388 13.757 0.389 17.768 1.00 21.25 O ATOM 739 OE2 GLU A 388 15.056 -1.311 17.271 1.00 22.23 O ATOM 0 H GLU A 388 11.361 0.711 14.289 1.00 10.23 H new ATOM 0 HA GLU A 388 12.298 -1.896 13.537 1.00 72.45 H new ATOM 0 HB2 GLU A 388 11.563 -0.737 16.241 1.00 4.14 H new ATOM 0 HB3 GLU A 388 12.396 -2.257 15.985 1.00 4.14 H new ATOM 0 HG2 GLU A 388 14.269 -1.034 14.910 1.00 11.53 H new ATOM 0 HG3 GLU A 388 13.439 0.480 15.211 1.00 11.53 H new ATOM 746 N GLN A 389 9.227 -1.469 14.449 1.00 11.44 N ATOM 747 CA GLN A 389 7.933 -2.068 14.625 1.00 73.44 C ATOM 748 C GLN A 389 7.366 -2.579 13.326 1.00 22.42 C ATOM 749 O GLN A 389 6.475 -3.420 13.309 1.00 61.35 O ATOM 750 CB GLN A 389 6.998 -1.065 15.221 1.00 11.45 C ATOM 751 CG GLN A 389 7.495 -0.537 16.552 1.00 0.54 C ATOM 752 CD GLN A 389 6.465 0.274 17.252 1.00 12.11 C ATOM 753 OE1 GLN A 389 6.777 1.221 17.981 1.00 55.52 O ATOM 754 NE2 GLN A 389 5.241 -0.103 17.078 1.00 54.03 N ATOM 0 H GLN A 389 9.212 -0.449 14.436 1.00 11.44 H new ATOM 0 HA GLN A 389 8.048 -2.921 15.293 1.00 73.44 H new ATOM 0 HB2 GLN A 389 6.870 -0.234 14.528 1.00 11.45 H new ATOM 0 HB3 GLN A 389 6.017 -1.521 15.357 1.00 11.45 H new ATOM 0 HG2 GLN A 389 7.790 -1.373 17.186 1.00 0.54 H new ATOM 0 HG3 GLN A 389 8.386 0.070 16.391 1.00 0.54 H new ATOM 0 HE21 GLN A 389 5.032 -0.892 16.466 1.00 54.03 H new ATOM 0 HE22 GLN A 389 4.484 0.388 17.553 1.00 54.03 H new ATOM 763 N SER A 390 7.883 -2.076 12.238 1.00 63.15 N ATOM 764 CA SER A 390 7.382 -2.413 10.948 1.00 21.32 C ATOM 765 C SER A 390 8.295 -3.387 10.210 1.00 42.42 C ATOM 766 O SER A 390 7.822 -4.205 9.421 1.00 70.45 O ATOM 767 CB SER A 390 7.176 -1.134 10.131 1.00 4.51 C ATOM 768 OG SER A 390 6.539 -1.400 8.909 1.00 2.51 O ATOM 0 H SER A 390 8.665 -1.421 12.229 1.00 63.15 H new ATOM 0 HA SER A 390 6.426 -2.920 11.079 1.00 21.32 H new ATOM 0 HB2 SER A 390 6.580 -0.426 10.706 1.00 4.51 H new ATOM 0 HB3 SER A 390 8.140 -0.661 9.944 1.00 4.51 H new ATOM 0 HG SER A 390 5.760 -1.974 9.064 1.00 2.51 H new ATOM 774 N ALA A 391 9.589 -3.322 10.491 1.00 73.10 N ATOM 775 CA ALA A 391 10.586 -4.127 9.785 1.00 73.45 C ATOM 776 C ALA A 391 10.298 -5.628 9.851 1.00 54.22 C ATOM 777 O ALA A 391 10.598 -6.363 8.914 1.00 21.03 O ATOM 778 CB ALA A 391 11.973 -3.824 10.306 1.00 44.05 C ATOM 0 H ALA A 391 9.980 -2.714 11.211 1.00 73.10 H new ATOM 0 HA ALA A 391 10.529 -3.848 8.733 1.00 73.45 H new ATOM 0 HB1 ALA A 391 12.703 -4.431 9.771 1.00 44.05 H new ATOM 0 HB2 ALA A 391 12.197 -2.768 10.153 1.00 44.05 H new ATOM 0 HB3 ALA A 391 12.020 -4.054 11.370 1.00 44.05 H new ATOM 784 N GLY A 392 9.692 -6.067 10.936 1.00 40.12 N ATOM 785 CA GLY A 392 9.378 -7.465 11.089 1.00 21.40 C ATOM 786 C GLY A 392 8.288 -7.926 10.155 1.00 61.32 C ATOM 787 O GLY A 392 8.436 -8.949 9.489 1.00 12.10 O ATOM 0 H GLY A 392 9.410 -5.476 11.718 1.00 40.12 H new ATOM 0 HA2 GLY A 392 10.276 -8.056 10.911 1.00 21.40 H new ATOM 0 HA3 GLY A 392 9.072 -7.653 12.118 1.00 21.40 H new ATOM 791 N TRP A 393 7.192 -7.184 10.085 1.00 13.10 N ATOM 792 CA TRP A 393 6.127 -7.585 9.197 1.00 22.43 C ATOM 793 C TRP A 393 6.497 -7.323 7.738 1.00 54.21 C ATOM 794 O TRP A 393 6.039 -8.038 6.835 1.00 12.34 O ATOM 795 CB TRP A 393 4.740 -7.036 9.591 1.00 62.32 C ATOM 796 CG TRP A 393 4.577 -5.555 9.556 1.00 4.40 C ATOM 797 CD1 TRP A 393 4.831 -4.684 10.551 1.00 71.55 C ATOM 798 CD2 TRP A 393 4.071 -4.792 8.469 1.00 21.53 C ATOM 799 NE1 TRP A 393 4.528 -3.400 10.150 1.00 61.41 N ATOM 800 CE2 TRP A 393 4.060 -3.444 8.867 1.00 4.15 C ATOM 801 CE3 TRP A 393 3.634 -5.126 7.200 1.00 43.02 C ATOM 802 CZ2 TRP A 393 3.626 -2.420 8.027 1.00 0.03 C ATOM 803 CZ3 TRP A 393 3.203 -4.118 6.365 1.00 25.31 C ATOM 804 CH2 TRP A 393 3.205 -2.779 6.781 1.00 21.22 C ATOM 0 H TRP A 393 7.025 -6.329 10.616 1.00 13.10 H new ATOM 0 HA TRP A 393 6.018 -8.664 9.310 1.00 22.43 H new ATOM 0 HB2 TRP A 393 3.997 -7.477 8.926 1.00 62.32 H new ATOM 0 HB3 TRP A 393 4.510 -7.381 10.599 1.00 62.32 H new ATOM 0 HD1 TRP A 393 5.217 -4.953 11.523 1.00 71.55 H new ATOM 0 HE1 TRP A 393 4.635 -2.558 10.716 1.00 61.41 H new ATOM 0 HE3 TRP A 393 3.631 -6.155 6.871 1.00 43.02 H new ATOM 0 HZ2 TRP A 393 3.623 -1.389 8.349 1.00 0.03 H new ATOM 0 HZ3 TRP A 393 2.857 -4.364 5.372 1.00 25.31 H new ATOM 0 HH2 TRP A 393 2.865 -2.014 6.098 1.00 21.22 H new ATOM 815 N LYS A 394 7.347 -6.308 7.504 1.00 52.33 N ATOM 816 CA LYS A 394 7.914 -6.092 6.188 1.00 64.22 C ATOM 817 C LYS A 394 8.725 -7.294 5.773 1.00 11.14 C ATOM 818 O LYS A 394 8.658 -7.732 4.627 1.00 34.51 O ATOM 819 CB LYS A 394 8.801 -4.865 6.169 1.00 44.53 C ATOM 820 CG LYS A 394 8.046 -3.592 6.349 1.00 71.11 C ATOM 821 CD LYS A 394 8.964 -2.402 6.331 1.00 53.05 C ATOM 822 CE LYS A 394 8.171 -1.144 6.449 1.00 20.24 C ATOM 823 NZ LYS A 394 9.016 0.066 6.350 1.00 23.31 N ATOM 0 H LYS A 394 7.646 -5.637 8.211 1.00 52.33 H new ATOM 0 HA LYS A 394 7.091 -5.939 5.490 1.00 64.22 H new ATOM 0 HB2 LYS A 394 9.547 -4.952 6.958 1.00 44.53 H new ATOM 0 HB3 LYS A 394 9.341 -4.829 5.223 1.00 44.53 H new ATOM 0 HG2 LYS A 394 7.304 -3.493 5.557 1.00 71.11 H new ATOM 0 HG3 LYS A 394 7.503 -3.620 7.294 1.00 71.11 H new ATOM 0 HD2 LYS A 394 9.677 -2.470 7.152 1.00 53.05 H new ATOM 0 HD3 LYS A 394 9.542 -2.392 5.407 1.00 53.05 H new ATOM 0 HE2 LYS A 394 7.414 -1.120 5.665 1.00 20.24 H new ATOM 0 HE3 LYS A 394 7.643 -1.138 7.403 1.00 20.24 H new ATOM 0 HZ1 LYS A 394 8.420 0.914 6.438 1.00 23.31 H new ATOM 0 HZ2 LYS A 394 9.723 0.059 7.113 1.00 23.31 H new ATOM 0 HZ3 LYS A 394 9.500 0.077 5.430 1.00 23.31 H new ATOM 837 N ASN A 395 9.463 -7.860 6.735 1.00 1.44 N ATOM 838 CA ASN A 395 10.309 -9.027 6.483 1.00 45.32 C ATOM 839 C ASN A 395 9.453 -10.211 6.035 1.00 53.40 C ATOM 840 O ASN A 395 9.881 -11.050 5.248 1.00 53.45 O ATOM 841 CB ASN A 395 11.091 -9.399 7.754 1.00 21.35 C ATOM 842 CG ASN A 395 12.044 -10.568 7.559 1.00 22.35 C ATOM 843 OD1 ASN A 395 12.594 -10.771 6.475 1.00 3.33 O ATOM 844 ND2 ASN A 395 12.236 -11.342 8.593 1.00 40.23 N ATOM 0 H ASN A 395 9.490 -7.525 7.698 1.00 1.44 H new ATOM 0 HA ASN A 395 11.016 -8.781 5.691 1.00 45.32 H new ATOM 0 HB2 ASN A 395 11.658 -8.531 8.090 1.00 21.35 H new ATOM 0 HB3 ASN A 395 10.385 -9.645 8.547 1.00 21.35 H new ATOM 0 HD21 ASN A 395 12.859 -12.146 8.519 1.00 40.23 H new ATOM 0 HD22 ASN A 395 11.763 -11.142 9.474 1.00 40.23 H new ATOM 851 N SER A 396 8.239 -10.251 6.525 1.00 52.13 N ATOM 852 CA SER A 396 7.316 -11.309 6.214 1.00 40.15 C ATOM 853 C SER A 396 6.796 -11.181 4.757 1.00 43.12 C ATOM 854 O SER A 396 6.818 -12.147 3.990 1.00 33.34 O ATOM 855 CB SER A 396 6.173 -11.245 7.205 1.00 60.33 C ATOM 856 OG SER A 396 6.662 -11.251 8.541 1.00 5.44 O ATOM 0 H SER A 396 7.862 -9.543 7.156 1.00 52.13 H new ATOM 0 HA SER A 396 7.818 -12.273 6.290 1.00 40.15 H new ATOM 0 HB2 SER A 396 5.586 -10.343 7.032 1.00 60.33 H new ATOM 0 HB3 SER A 396 5.506 -12.094 7.053 1.00 60.33 H new ATOM 0 HG SER A 396 7.104 -10.397 8.731 1.00 5.44 H new ATOM 862 N ILE A 397 6.362 -9.979 4.389 1.00 63.40 N ATOM 863 CA ILE A 397 5.852 -9.694 3.034 1.00 44.25 C ATOM 864 C ILE A 397 6.957 -9.868 1.992 1.00 2.52 C ATOM 865 O ILE A 397 6.804 -10.632 1.029 1.00 22.41 O ATOM 866 CB ILE A 397 5.282 -8.232 2.951 1.00 14.01 C ATOM 867 CG1 ILE A 397 3.987 -8.090 3.758 1.00 51.34 C ATOM 868 CG2 ILE A 397 5.057 -7.781 1.502 1.00 53.40 C ATOM 869 CD1 ILE A 397 3.509 -6.671 3.917 1.00 20.45 C ATOM 0 H ILE A 397 6.350 -9.172 5.013 1.00 63.40 H new ATOM 0 HA ILE A 397 5.050 -10.402 2.825 1.00 44.25 H new ATOM 0 HB ILE A 397 6.037 -7.579 3.389 1.00 14.01 H new ATOM 0 HG12 ILE A 397 3.204 -8.673 3.272 1.00 51.34 H new ATOM 0 HG13 ILE A 397 4.139 -8.523 4.747 1.00 51.34 H new ATOM 0 HG21 ILE A 397 4.663 -6.765 1.494 1.00 53.40 H new ATOM 0 HG22 ILE A 397 6.003 -7.807 0.962 1.00 53.40 H new ATOM 0 HG23 ILE A 397 4.345 -8.450 1.019 1.00 53.40 H new ATOM 0 HD11 ILE A 397 2.588 -6.660 4.500 1.00 20.45 H new ATOM 0 HD12 ILE A 397 4.271 -6.086 4.432 1.00 20.45 H new ATOM 0 HD13 ILE A 397 3.321 -6.238 2.934 1.00 20.45 H new ATOM 881 N ARG A 398 8.070 -9.186 2.219 1.00 4.25 N ATOM 882 CA ARG A 398 9.179 -9.142 1.313 1.00 15.24 C ATOM 883 C ARG A 398 9.713 -10.562 1.042 1.00 41.44 C ATOM 884 O ARG A 398 10.017 -10.913 -0.104 1.00 11.21 O ATOM 885 CB ARG A 398 10.231 -8.249 1.961 1.00 74.32 C ATOM 886 CG ARG A 398 11.258 -7.635 1.045 1.00 2.10 C ATOM 887 CD ARG A 398 12.187 -8.642 0.427 1.00 63.34 C ATOM 888 NE ARG A 398 12.979 -9.343 1.452 1.00 43.23 N ATOM 889 CZ ARG A 398 13.727 -10.437 1.252 1.00 10.41 C ATOM 890 NH1 ARG A 398 13.709 -11.061 0.085 1.00 2.44 N ATOM 891 NH2 ARG A 398 14.461 -10.920 2.243 1.00 25.12 N ATOM 0 H ARG A 398 8.218 -8.637 3.066 1.00 4.25 H new ATOM 0 HA ARG A 398 8.890 -8.739 0.342 1.00 15.24 H new ATOM 0 HB2 ARG A 398 9.717 -7.443 2.484 1.00 74.32 H new ATOM 0 HB3 ARG A 398 10.756 -8.835 2.716 1.00 74.32 H new ATOM 0 HG2 ARG A 398 10.746 -7.090 0.252 1.00 2.10 H new ATOM 0 HG3 ARG A 398 11.845 -6.907 1.605 1.00 2.10 H new ATOM 0 HD2 ARG A 398 11.610 -9.367 -0.148 1.00 63.34 H new ATOM 0 HD3 ARG A 398 12.856 -8.141 -0.272 1.00 63.34 H new ATOM 0 HE ARG A 398 12.956 -8.962 2.398 1.00 43.23 H new ATOM 0 HH11 ARG A 398 13.122 -10.710 -0.672 1.00 2.44 H new ATOM 0 HH12 ARG A 398 14.282 -11.893 -0.057 1.00 2.44 H new ATOM 0 HH21 ARG A 398 14.455 -10.460 3.153 1.00 25.12 H new ATOM 0 HH22 ARG A 398 15.032 -11.752 2.096 1.00 25.12 H new ATOM 905 N HIS A 399 9.794 -11.372 2.093 1.00 53.01 N ATOM 906 CA HIS A 399 10.276 -12.750 1.975 1.00 20.24 C ATOM 907 C HIS A 399 9.393 -13.544 1.014 1.00 64.12 C ATOM 908 O HIS A 399 9.891 -14.177 0.096 1.00 44.32 O ATOM 909 CB HIS A 399 10.318 -13.427 3.357 1.00 62.55 C ATOM 910 CG HIS A 399 10.890 -14.824 3.373 1.00 34.14 C ATOM 911 ND1 HIS A 399 10.247 -15.899 3.945 1.00 72.04 N ATOM 912 CD2 HIS A 399 12.082 -15.295 2.945 1.00 23.12 C ATOM 913 CE1 HIS A 399 11.017 -16.963 3.868 1.00 42.34 C ATOM 914 NE2 HIS A 399 12.136 -16.624 3.263 1.00 73.04 N ATOM 0 H HIS A 399 9.532 -11.100 3.040 1.00 53.01 H new ATOM 0 HA HIS A 399 11.289 -12.729 1.573 1.00 20.24 H new ATOM 0 HB2 HIS A 399 10.905 -12.804 4.031 1.00 62.55 H new ATOM 0 HB3 HIS A 399 9.305 -13.462 3.757 1.00 62.55 H new ATOM 0 HD2 HIS A 399 12.851 -14.726 2.444 1.00 23.12 H new ATOM 0 HE1 HIS A 399 10.773 -17.948 4.238 1.00 42.34 H new ATOM 0 HE2 HIS A 399 12.916 -17.250 3.064 1.00 73.04 H new ATOM 923 N ASN A 400 8.087 -13.485 1.226 1.00 75.13 N ATOM 924 CA ASN A 400 7.121 -14.187 0.383 1.00 25.23 C ATOM 925 C ASN A 400 7.153 -13.728 -1.070 1.00 50.55 C ATOM 926 O ASN A 400 6.974 -14.545 -1.991 1.00 33.10 O ATOM 927 CB ASN A 400 5.733 -14.071 0.983 1.00 71.32 C ATOM 928 CG ASN A 400 5.624 -14.878 2.249 1.00 21.43 C ATOM 929 OD1 ASN A 400 6.248 -15.932 2.380 1.00 40.14 O ATOM 930 ND2 ASN A 400 4.900 -14.388 3.194 1.00 10.51 N ATOM 0 H ASN A 400 7.664 -12.951 1.985 1.00 75.13 H new ATOM 0 HA ASN A 400 7.407 -15.239 0.360 1.00 25.23 H new ATOM 0 HB2 ASN A 400 5.510 -13.025 1.194 1.00 71.32 H new ATOM 0 HB3 ASN A 400 4.991 -14.416 0.263 1.00 71.32 H new ATOM 0 HD21 ASN A 400 4.829 -14.875 4.087 1.00 10.51 H new ATOM 0 HD22 ASN A 400 4.397 -13.512 3.049 1.00 10.51 H new ATOM 937 N LEU A 401 7.395 -12.450 -1.279 1.00 72.20 N ATOM 938 CA LEU A 401 7.521 -11.889 -2.626 1.00 75.34 C ATOM 939 C LEU A 401 8.697 -12.510 -3.367 1.00 54.30 C ATOM 940 O LEU A 401 8.596 -12.856 -4.542 1.00 62.54 O ATOM 941 CB LEU A 401 7.711 -10.375 -2.553 1.00 74.34 C ATOM 942 CG LEU A 401 6.546 -9.583 -1.986 1.00 31.02 C ATOM 943 CD1 LEU A 401 6.919 -8.123 -1.860 1.00 64.20 C ATOM 944 CD2 LEU A 401 5.338 -9.734 -2.884 1.00 13.22 C ATOM 0 H LEU A 401 7.511 -11.767 -0.530 1.00 72.20 H new ATOM 0 HA LEU A 401 6.604 -12.115 -3.170 1.00 75.34 H new ATOM 0 HB2 LEU A 401 8.593 -10.169 -1.947 1.00 74.34 H new ATOM 0 HB3 LEU A 401 7.920 -10.006 -3.557 1.00 74.34 H new ATOM 0 HG LEU A 401 6.305 -9.969 -0.996 1.00 31.02 H new ATOM 0 HD11 LEU A 401 6.075 -7.566 -1.452 1.00 64.20 H new ATOM 0 HD12 LEU A 401 7.776 -8.023 -1.194 1.00 64.20 H new ATOM 0 HD13 LEU A 401 7.175 -7.727 -2.843 1.00 64.20 H new ATOM 0 HD21 LEU A 401 4.505 -9.164 -2.472 1.00 13.22 H new ATOM 0 HD22 LEU A 401 5.576 -9.361 -3.880 1.00 13.22 H new ATOM 0 HD23 LEU A 401 5.061 -10.786 -2.947 1.00 13.22 H new ATOM 1257 N TRP A 421 7.616 -3.851 -7.893 1.00 40.32 N ATOM 1258 CA TRP A 421 7.434 -5.170 -8.385 1.00 24.42 C ATOM 1259 C TRP A 421 5.992 -5.259 -8.861 1.00 35.34 C ATOM 1260 O TRP A 421 5.169 -4.404 -8.501 1.00 52.52 O ATOM 1261 CB TRP A 421 7.750 -6.244 -7.289 1.00 33.22 C ATOM 1262 CG TRP A 421 6.843 -6.243 -6.125 1.00 25.42 C ATOM 1263 CD1 TRP A 421 7.037 -5.625 -4.937 1.00 55.13 C ATOM 1264 CD2 TRP A 421 5.588 -6.909 -6.039 1.00 45.24 C ATOM 1265 NE1 TRP A 421 5.979 -5.870 -4.120 1.00 62.33 N ATOM 1266 CE2 TRP A 421 5.072 -6.654 -4.786 1.00 1.23 C ATOM 1267 CE3 TRP A 421 4.856 -7.695 -6.920 1.00 72.22 C ATOM 1268 CZ2 TRP A 421 3.848 -7.156 -4.378 1.00 73.30 C ATOM 1269 CZ3 TRP A 421 3.649 -8.187 -6.522 1.00 33.41 C ATOM 1270 CH2 TRP A 421 3.152 -7.920 -5.264 1.00 34.22 C ATOM 0 HA TRP A 421 8.124 -5.377 -9.203 1.00 24.42 H new ATOM 0 HB2 TRP A 421 7.720 -7.231 -7.751 1.00 33.22 H new ATOM 0 HB3 TRP A 421 8.769 -6.089 -6.935 1.00 33.22 H new ATOM 0 HD1 TRP A 421 7.900 -5.029 -4.678 1.00 55.13 H new ATOM 0 HE1 TRP A 421 5.876 -5.526 -3.165 1.00 62.33 H new ATOM 0 HE3 TRP A 421 5.238 -7.913 -7.906 1.00 72.22 H new ATOM 0 HZ2 TRP A 421 3.459 -6.949 -3.392 1.00 73.30 H new ATOM 0 HZ3 TRP A 421 3.073 -8.796 -7.203 1.00 33.41 H new ATOM 0 HH2 TRP A 421 2.193 -8.324 -4.976 1.00 34.22 H new ATOM 1281 N VAL A 422 5.681 -6.244 -9.653 1.00 62.13 N ATOM 1282 CA VAL A 422 4.328 -6.407 -10.184 1.00 73.13 C ATOM 1283 C VAL A 422 3.948 -7.864 -10.183 1.00 53.42 C ATOM 1284 O VAL A 422 4.828 -8.750 -10.095 1.00 73.14 O ATOM 1285 CB VAL A 422 4.168 -5.838 -11.640 1.00 5.12 C ATOM 1286 CG1 VAL A 422 4.399 -4.336 -11.688 1.00 52.14 C ATOM 1287 CG2 VAL A 422 5.103 -6.548 -12.614 1.00 52.24 C ATOM 0 H VAL A 422 6.341 -6.960 -9.956 1.00 62.13 H new ATOM 0 HA VAL A 422 3.667 -5.835 -9.533 1.00 73.13 H new ATOM 0 HB VAL A 422 3.139 -6.028 -11.945 1.00 5.12 H new ATOM 0 HG11 VAL A 422 4.279 -3.982 -12.712 1.00 52.14 H new ATOM 0 HG12 VAL A 422 3.676 -3.836 -11.044 1.00 52.14 H new ATOM 0 HG13 VAL A 422 5.408 -4.112 -11.342 1.00 52.14 H new ATOM 0 HG21 VAL A 422 4.970 -6.134 -13.613 1.00 52.24 H new ATOM 0 HG22 VAL A 422 6.136 -6.405 -12.296 1.00 52.24 H new ATOM 0 HG23 VAL A 422 4.872 -7.613 -12.629 1.00 52.24 H new ATOM 1297 N ILE A 423 2.666 -8.129 -10.265 1.00 30.23 N ATOM 1298 CA ILE A 423 2.209 -9.480 -10.357 1.00 72.21 C ATOM 1299 C ILE A 423 2.368 -9.843 -11.807 1.00 31.11 C ATOM 1300 O ILE A 423 1.736 -9.247 -12.698 1.00 52.14 O ATOM 1301 CB ILE A 423 0.727 -9.621 -9.914 1.00 73.32 C ATOM 1302 CG1 ILE A 423 0.570 -9.134 -8.463 1.00 33.50 C ATOM 1303 CG2 ILE A 423 0.266 -11.075 -10.045 1.00 42.43 C ATOM 1304 CD1 ILE A 423 -0.846 -9.185 -7.932 1.00 30.20 C ATOM 0 H ILE A 423 1.929 -7.424 -10.269 1.00 30.23 H new ATOM 0 HA ILE A 423 2.776 -10.137 -9.698 1.00 72.21 H new ATOM 0 HB ILE A 423 0.103 -9.006 -10.562 1.00 73.32 H new ATOM 0 HG12 ILE A 423 1.208 -9.740 -7.819 1.00 33.50 H new ATOM 0 HG13 ILE A 423 0.932 -8.108 -8.397 1.00 33.50 H new ATOM 0 HG21 ILE A 423 -0.774 -11.157 -9.731 1.00 42.43 H new ATOM 0 HG22 ILE A 423 0.357 -11.394 -11.083 1.00 42.43 H new ATOM 0 HG23 ILE A 423 0.886 -11.712 -9.414 1.00 42.43 H new ATOM 0 HD11 ILE A 423 -0.862 -8.824 -6.904 1.00 30.20 H new ATOM 0 HD12 ILE A 423 -1.488 -8.556 -8.548 1.00 30.20 H new ATOM 0 HD13 ILE A 423 -1.209 -10.212 -7.961 1.00 30.20 H new