USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 248 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 11 ASN :FLIP amide:sc= 0.139 F(o=-6.4!,f=1) USER MOD Set 1.2: A 14 LYS NZ :NH3+ -134:sc= 0.882 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 144:sc= 0.0352 (180deg=0) USER MOD Single : A 3 SER OG : rot -92:sc= -0.257! USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.768 K(o=-0.77,f=-3.8!) USER MOD Single : A 9 TYR OH : rot -78:sc= 0.53 USER MOD Single : A 12 ASN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0355 X(o=-0.035,f=-0.22) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc=-0.00994 X(o=-0.0099,f=-0.0046) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.373 9.167 10.910 1.00 0.00 N ATOM 2 CA ALA A 1 -20.218 7.843 11.488 1.00 0.00 C ATOM 3 C ALA A 1 -19.700 6.882 10.418 1.00 0.00 C ATOM 4 O ALA A 1 -20.086 6.975 9.254 1.00 0.00 O ATOM 5 CB ALA A 1 -21.552 7.389 12.085 1.00 0.00 C ATOM 0 H1 ALA A 1 -21.207 9.631 11.323 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.526 9.735 11.112 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.497 9.084 9.881 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.487 7.859 12.297 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -21.437 6.396 12.519 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -21.861 8.090 12.860 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -22.309 7.357 11.302 1.00 0.00 H new ATOM 11 N ARG A 2 -18.832 5.978 10.851 1.00 0.00 N ATOM 12 CA ARG A 2 -18.256 5.000 9.943 1.00 0.00 C ATOM 13 C ARG A 2 -18.147 3.638 10.632 1.00 0.00 C ATOM 14 O ARG A 2 -18.624 3.464 11.752 1.00 0.00 O ATOM 15 CB ARG A 2 -16.868 5.437 9.470 1.00 0.00 C ATOM 16 CG ARG A 2 -16.958 6.221 8.160 1.00 0.00 C ATOM 17 CD ARG A 2 -15.565 6.482 7.582 1.00 0.00 C ATOM 18 NE ARG A 2 -15.407 7.922 7.275 1.00 0.00 N ATOM 19 CZ ARG A 2 -14.224 8.530 7.115 1.00 0.00 C ATOM 20 NH1 ARG A 2 -13.088 7.828 7.230 1.00 0.00 N ATOM 21 NH2 ARG A 2 -14.176 9.840 6.838 1.00 0.00 N ATOM 0 H ARG A 2 -18.514 5.903 11.817 1.00 0.00 H new ATOM 0 HA ARG A 2 -18.914 4.923 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -16.396 6.053 10.235 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -16.235 4.561 9.331 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -17.557 5.664 7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -17.468 7.169 8.333 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -14.802 6.167 8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -15.421 5.891 6.678 1.00 0.00 H new ATOM 0 HE ARG A 2 -16.251 8.486 7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -13.124 6.830 7.439 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.188 8.291 7.108 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -15.040 10.374 6.749 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.275 10.303 6.716 1.00 0.00 H new ATOM 32 N SER A 3 -17.516 2.706 9.933 1.00 0.00 N ATOM 33 CA SER A 3 -17.338 1.365 10.463 1.00 0.00 C ATOM 34 C SER A 3 -17.003 0.394 9.329 1.00 0.00 C ATOM 35 O SER A 3 -17.897 -0.227 8.755 1.00 0.00 O ATOM 36 CB SER A 3 -18.588 0.898 11.211 1.00 0.00 C ATOM 37 OG SER A 3 -19.758 1.587 10.778 1.00 0.00 O ATOM 0 H SER A 3 -17.122 2.853 9.004 1.00 0.00 H new ATOM 0 HA SER A 3 -16.510 1.384 11.172 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.722 -0.173 11.060 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.450 1.055 12.281 1.00 0.00 H new ATOM 0 HG SER A 3 -19.900 2.376 11.341 1.00 0.00 H new ATOM 42 N TYR A 4 -15.715 0.293 9.040 1.00 0.00 N ATOM 43 CA TYR A 4 -15.252 -0.592 7.985 1.00 0.00 C ATOM 44 C TYR A 4 -13.977 -1.327 8.405 1.00 0.00 C ATOM 45 O TYR A 4 -12.890 -1.021 7.918 1.00 0.00 O ATOM 46 CB TYR A 4 -14.936 0.308 6.788 1.00 0.00 C ATOM 47 CG TYR A 4 -16.172 0.778 6.019 1.00 0.00 C ATOM 48 CD1 TYR A 4 -16.757 -0.050 5.082 1.00 0.00 C ATOM 49 CD2 TYR A 4 -16.702 2.028 6.263 1.00 0.00 C ATOM 50 CE1 TYR A 4 -17.921 0.393 4.358 1.00 0.00 C ATOM 51 CE2 TYR A 4 -17.866 2.471 5.539 1.00 0.00 C ATOM 52 CZ TYR A 4 -18.417 1.631 4.623 1.00 0.00 C ATOM 53 OH TYR A 4 -19.517 2.049 3.939 1.00 0.00 O ATOM 0 H TYR A 4 -14.977 0.810 9.518 1.00 0.00 H new ATOM 0 HA TYR A 4 -16.008 -1.343 7.756 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -14.385 1.181 7.138 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -14.279 -0.231 6.105 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -16.342 -1.029 4.892 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -16.244 2.675 6.997 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -18.389 -0.244 3.622 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -18.291 3.447 5.720 1.00 0.00 H new ATOM 0 HH TYR A 4 -19.761 2.952 4.232 1.00 0.00 H new ATOM 62 N GLY A 5 -14.153 -2.283 9.305 1.00 0.00 N ATOM 63 CA GLY A 5 -13.031 -3.065 9.796 1.00 0.00 C ATOM 64 C GLY A 5 -12.636 -2.628 11.208 1.00 0.00 C ATOM 65 O GLY A 5 -13.328 -2.944 12.176 1.00 0.00 O ATOM 0 H GLY A 5 -15.056 -2.534 9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.294 -4.123 9.799 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.181 -2.949 9.124 1.00 0.00 H new ATOM 69 N ASN A 6 -11.526 -1.909 11.282 1.00 0.00 N ATOM 70 CA ASN A 6 -11.031 -1.426 12.560 1.00 0.00 C ATOM 71 C ASN A 6 -10.761 0.078 12.462 1.00 0.00 C ATOM 72 O ASN A 6 -11.139 0.839 13.352 1.00 0.00 O ATOM 73 CB ASN A 6 -9.719 -2.117 12.939 1.00 0.00 C ATOM 74 CG ASN A 6 -9.915 -3.628 13.077 1.00 0.00 C ATOM 75 OD1 ASN A 6 -11.014 -4.149 12.971 1.00 0.00 O ATOM 76 ND2 ASN A 6 -8.794 -4.299 13.318 1.00 0.00 N ATOM 0 H ASN A 6 -10.955 -1.649 10.478 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.785 -1.642 13.317 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -8.964 -1.912 12.180 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -9.346 -1.708 13.878 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.820 -5.313 13.426 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.908 -3.800 13.395 1.00 0.00 H new ATOM 82 N GLY A 7 -10.111 0.460 11.373 1.00 0.00 N ATOM 83 CA GLY A 7 -9.787 1.859 11.148 1.00 0.00 C ATOM 84 C GLY A 7 -10.958 2.594 10.493 1.00 0.00 C ATOM 85 O GLY A 7 -12.102 2.455 10.923 1.00 0.00 O ATOM 0 H GLY A 7 -9.800 -0.174 10.637 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.538 2.336 12.096 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.905 1.934 10.513 1.00 0.00 H new ATOM 89 N VAL A 8 -10.632 3.361 9.463 1.00 0.00 N ATOM 90 CA VAL A 8 -11.643 4.118 8.744 1.00 0.00 C ATOM 91 C VAL A 8 -12.185 5.225 9.651 1.00 0.00 C ATOM 92 O VAL A 8 -11.942 6.406 9.408 1.00 0.00 O ATOM 93 CB VAL A 8 -12.735 3.178 8.230 1.00 0.00 C ATOM 94 CG1 VAL A 8 -13.742 3.931 7.360 1.00 0.00 C ATOM 95 CG2 VAL A 8 -12.128 1.997 7.469 1.00 0.00 C ATOM 0 H VAL A 8 -9.682 3.475 9.109 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.209 4.599 7.867 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.269 2.782 9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.507 3.239 7.008 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.210 4.722 7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.228 4.369 6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.926 1.344 7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.557 2.368 6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.469 1.437 8.132 1.00 0.00 H new ATOM 105 N TYR A 9 -12.910 4.803 10.677 1.00 0.00 N ATOM 106 CA TYR A 9 -13.488 5.744 11.622 1.00 0.00 C ATOM 107 C TYR A 9 -12.477 6.127 12.703 1.00 0.00 C ATOM 108 O TYR A 9 -12.327 7.303 13.031 1.00 0.00 O ATOM 109 CB TYR A 9 -14.665 5.016 12.274 1.00 0.00 C ATOM 110 CG TYR A 9 -14.294 3.667 12.894 1.00 0.00 C ATOM 111 CD1 TYR A 9 -13.803 3.610 14.182 1.00 0.00 C ATOM 112 CD2 TYR A 9 -14.452 2.506 12.164 1.00 0.00 C ATOM 113 CE1 TYR A 9 -13.456 2.340 14.765 1.00 0.00 C ATOM 114 CE2 TYR A 9 -14.105 1.236 12.747 1.00 0.00 C ATOM 115 CZ TYR A 9 -13.624 1.216 14.019 1.00 0.00 C ATOM 116 OH TYR A 9 -13.295 0.017 14.570 1.00 0.00 O ATOM 0 H TYR A 9 -13.110 3.823 10.875 1.00 0.00 H new ATOM 0 HA TYR A 9 -13.792 6.660 11.115 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.091 5.655 13.047 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -15.442 4.859 11.526 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -13.679 4.518 14.753 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -14.836 2.550 11.156 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -13.071 2.282 15.772 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.224 0.320 12.187 1.00 0.00 H new ATOM 0 HH TYR A 9 -12.323 -0.101 14.541 1.00 0.00 H new ATOM 125 N CYS A 10 -11.807 5.111 13.229 1.00 0.00 N ATOM 126 CA CYS A 10 -10.815 5.327 14.268 1.00 0.00 C ATOM 127 C CYS A 10 -11.508 5.970 15.470 1.00 0.00 C ATOM 128 O CYS A 10 -12.540 6.624 15.320 1.00 0.00 O ATOM 129 CB CYS A 10 -9.644 6.174 13.764 1.00 0.00 C ATOM 130 SG CYS A 10 -9.815 7.971 14.059 1.00 0.00 S ATOM 0 H CYS A 10 -11.932 4.137 12.955 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.385 4.371 14.567 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.729 5.827 14.244 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.526 6.005 12.694 1.00 0.00 H new ATOM 134 N ASN A 11 -10.914 5.763 16.636 1.00 0.00 N ATOM 135 CA ASN A 11 -11.463 6.314 17.864 1.00 0.00 C ATOM 136 C ASN A 11 -11.231 7.826 17.886 1.00 0.00 C ATOM 137 O ASN A 11 -10.982 8.436 16.848 1.00 0.00 O ATOM 138 CB ASN A 11 -10.778 5.712 19.092 1.00 0.00 C ATOM 139 CG ASN A 11 -11.809 5.168 20.083 1.00 0.00 C ATOM 140 OD1 ASN A 11 -11.888 5.860 21.216 1.00 0.00 O flip ATOM 141 ND2 ASN A 11 -12.488 4.185 19.836 1.00 0.00 N flip ATOM 0 H ASN A 11 -10.058 5.221 16.757 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.527 6.079 17.894 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.108 4.910 18.782 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.165 6.470 19.579 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.377 3.699 18.946 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -13.166 3.849 20.520 1.00 0.00 H new ATOM 147 N ASN A 12 -11.319 8.388 19.084 1.00 0.00 N ATOM 148 CA ASN A 12 -11.122 9.817 19.255 1.00 0.00 C ATOM 149 C ASN A 12 -9.672 10.081 19.669 1.00 0.00 C ATOM 150 O ASN A 12 -8.886 10.611 18.886 1.00 0.00 O ATOM 151 CB ASN A 12 -12.034 10.371 20.352 1.00 0.00 C ATOM 152 CG ASN A 12 -13.507 10.245 19.954 1.00 0.00 C ATOM 153 OD1 ASN A 12 -14.136 11.186 19.499 1.00 0.00 O ATOM 154 ND2 ASN A 12 -14.018 9.034 20.152 1.00 0.00 N ATOM 0 H ASN A 12 -11.524 7.879 19.944 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.357 10.306 18.309 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.858 9.833 21.283 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.792 11.417 20.538 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.993 8.848 19.919 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.435 8.291 20.537 1.00 0.00 H new ATOM 160 N LYS A 13 -9.363 9.699 20.900 1.00 0.00 N ATOM 161 CA LYS A 13 -8.021 9.889 21.426 1.00 0.00 C ATOM 162 C LYS A 13 -7.086 8.842 20.817 1.00 0.00 C ATOM 163 O LYS A 13 -5.926 9.132 20.532 1.00 0.00 O ATOM 164 CB LYS A 13 -8.041 9.880 22.956 1.00 0.00 C ATOM 165 CG LYS A 13 -8.838 8.687 23.487 1.00 0.00 C ATOM 166 CD LYS A 13 -10.260 9.104 23.868 1.00 0.00 C ATOM 167 CE LYS A 13 -11.243 7.950 23.667 1.00 0.00 C ATOM 168 NZ LYS A 13 -11.814 7.522 24.963 1.00 0.00 N ATOM 0 H LYS A 13 -10.017 9.260 21.547 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.634 10.867 21.140 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.020 9.838 23.336 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.480 10.808 23.323 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.875 7.904 22.730 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.333 8.266 24.356 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.281 9.427 24.909 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.567 9.957 23.263 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.043 8.260 22.995 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.735 7.111 23.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.479 6.738 24.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.048 7.207 25.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.316 8.320 25.402 1.00 0.00 H new ATOM 178 N LYS A 14 -7.628 7.646 20.634 1.00 0.00 N ATOM 179 CA LYS A 14 -6.856 6.554 20.065 1.00 0.00 C ATOM 180 C LYS A 14 -6.707 6.775 18.558 1.00 0.00 C ATOM 181 O LYS A 14 -5.603 7.017 18.069 1.00 0.00 O ATOM 182 CB LYS A 14 -7.484 5.207 20.429 1.00 0.00 C ATOM 183 CG LYS A 14 -7.290 4.898 21.916 1.00 0.00 C ATOM 184 CD LYS A 14 -8.445 4.050 22.453 1.00 0.00 C ATOM 185 CE LYS A 14 -9.626 4.930 22.867 1.00 0.00 C ATOM 186 NZ LYS A 14 -10.856 4.117 22.999 1.00 0.00 N ATOM 0 H LYS A 14 -8.592 7.410 20.870 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.851 6.536 20.488 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.548 5.221 20.192 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.034 4.417 19.828 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.348 4.370 22.062 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.224 5.829 22.479 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.765 3.341 21.690 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.105 3.466 23.308 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.406 5.423 23.814 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.779 5.715 22.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.645 4.601 22.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.706 3.187 22.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.082 3.991 24.006 1.00 0.00 H new ATOM 196 N CYS A 15 -7.831 6.683 17.864 1.00 0.00 N ATOM 197 CA CYS A 15 -7.838 6.869 16.422 1.00 0.00 C ATOM 198 C CYS A 15 -6.793 5.933 15.812 1.00 0.00 C ATOM 199 O CYS A 15 -5.654 6.337 15.580 1.00 0.00 O ATOM 200 CB CYS A 15 -7.590 8.330 16.039 1.00 0.00 C ATOM 201 SG CYS A 15 -7.987 8.744 14.302 1.00 0.00 S ATOM 0 H CYS A 15 -8.744 6.482 18.273 1.00 0.00 H new ATOM 0 HA CYS A 15 -8.822 6.620 16.025 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.182 8.969 16.695 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.542 8.567 16.224 1.00 0.00 H new ATOM 205 N TRP A 16 -7.216 4.702 15.571 1.00 0.00 N ATOM 206 CA TRP A 16 -6.330 3.706 14.991 1.00 0.00 C ATOM 207 C TRP A 16 -6.708 3.537 13.518 1.00 0.00 C ATOM 208 O TRP A 16 -7.717 4.075 13.066 1.00 0.00 O ATOM 209 CB TRP A 16 -6.391 2.395 15.778 1.00 0.00 C ATOM 210 CG TRP A 16 -7.789 1.777 15.850 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.396 1.001 14.942 1.00 0.00 C ATOM 212 CD2 TRP A 16 -8.736 1.915 16.930 1.00 0.00 C ATOM 213 NE1 TRP A 16 -9.659 0.630 15.355 1.00 0.00 N ATOM 214 CE2 TRP A 16 -9.872 1.203 16.603 1.00 0.00 C ATOM 215 CE3 TRP A 16 -8.635 2.618 18.144 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -10.995 1.127 17.437 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -9.766 2.531 18.966 1.00 0.00 C ATOM 218 CH2 TRP A 16 -10.917 1.819 18.651 1.00 0.00 C ATOM 0 H TRP A 16 -8.161 4.370 15.766 1.00 0.00 H new ATOM 0 HA TRP A 16 -5.292 4.033 15.048 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.710 1.677 15.321 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -6.032 2.574 16.791 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.952 0.703 14.004 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.315 0.043 14.840 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -7.755 3.180 18.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -11.874 0.565 17.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -9.742 3.054 19.911 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -11.748 1.800 19.340 1.00 0.00 H new ATOM 228 N VAL A 17 -5.876 2.788 12.810 1.00 0.00 N ATOM 229 CA VAL A 17 -6.109 2.541 11.397 1.00 0.00 C ATOM 230 C VAL A 17 -5.937 1.049 11.108 1.00 0.00 C ATOM 231 O VAL A 17 -6.888 0.375 10.715 1.00 0.00 O ATOM 232 CB VAL A 17 -5.187 3.424 10.553 1.00 0.00 C ATOM 233 CG1 VAL A 17 -4.951 2.808 9.172 1.00 0.00 C ATOM 234 CG2 VAL A 17 -5.746 4.842 10.432 1.00 0.00 C ATOM 0 H VAL A 17 -5.039 2.344 13.188 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.131 2.808 11.126 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.225 3.486 11.061 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.293 3.455 8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.488 1.828 9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.904 2.702 8.653 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.072 5.449 9.827 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.727 4.807 9.958 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.839 5.282 11.425 1.00 0.00 H new ATOM 244 N ASN A 18 -4.717 0.576 11.314 1.00 0.00 N ATOM 245 CA ASN A 18 -4.407 -0.825 11.081 1.00 0.00 C ATOM 246 C ASN A 18 -3.177 -1.215 11.904 1.00 0.00 C ATOM 247 O ASN A 18 -2.046 -1.053 11.449 1.00 0.00 O ATOM 248 CB ASN A 18 -4.090 -1.081 9.606 1.00 0.00 C ATOM 249 CG ASN A 18 -4.997 -2.171 9.032 1.00 0.00 C ATOM 250 OD1 ASN A 18 -5.283 -3.174 9.665 1.00 0.00 O ATOM 251 ND2 ASN A 18 -5.433 -1.919 7.801 1.00 0.00 N ATOM 0 H ASN A 18 -3.931 1.138 11.640 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.276 -1.415 11.371 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.218 -0.160 9.038 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.047 -1.378 9.501 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.045 -2.585 7.330 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.155 -1.059 7.328 1.00 0.00 H new ATOM 257 N ARG A 19 -3.440 -1.720 13.099 1.00 0.00 N ATOM 258 CA ARG A 19 -2.369 -2.135 13.989 1.00 0.00 C ATOM 259 C ARG A 19 -1.918 -3.557 13.651 1.00 0.00 C ATOM 260 O ARG A 19 -1.111 -4.144 14.370 1.00 0.00 O ATOM 261 CB ARG A 19 -2.817 -2.083 15.451 1.00 0.00 C ATOM 262 CG ARG A 19 -3.197 -0.658 15.858 1.00 0.00 C ATOM 263 CD ARG A 19 -4.508 -0.644 16.647 1.00 0.00 C ATOM 264 NE ARG A 19 -5.606 -1.179 15.813 1.00 0.00 N ATOM 265 CZ ARG A 19 -6.732 -1.712 16.305 1.00 0.00 C ATOM 266 NH1 ARG A 19 -6.916 -1.784 17.630 1.00 0.00 N ATOM 267 NH2 ARG A 19 -7.676 -2.173 15.472 1.00 0.00 N ATOM 0 H ARG A 19 -4.380 -1.852 13.473 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.537 -1.444 13.851 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.669 -2.746 15.598 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.016 -2.447 16.094 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.400 -0.224 16.462 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.297 -0.036 14.968 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.404 -1.242 17.552 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.742 0.373 16.962 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.499 -1.140 14.799 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.199 -1.433 18.264 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.774 -2.190 18.004 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.537 -2.118 14.463 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.533 -2.579 15.847 1.00 0.00 H new ATOM 278 N GLY A 20 -2.459 -4.071 12.556 1.00 0.00 N ATOM 279 CA GLY A 20 -2.123 -5.413 12.113 1.00 0.00 C ATOM 280 C GLY A 20 -0.746 -5.442 11.447 1.00 0.00 C ATOM 281 O GLY A 20 0.205 -5.991 12.002 1.00 0.00 O ATOM 0 H GLY A 20 -3.128 -3.581 11.962 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.134 -6.094 12.964 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.878 -5.768 11.411 1.00 0.00 H new ATOM 285 N GLU A 21 -0.682 -4.844 10.266 1.00 0.00 N ATOM 286 CA GLU A 21 0.562 -4.794 9.519 1.00 0.00 C ATOM 287 C GLU A 21 1.687 -4.242 10.397 1.00 0.00 C ATOM 288 O GLU A 21 2.855 -4.578 10.201 1.00 0.00 O ATOM 289 CB GLU A 21 0.404 -3.963 8.245 1.00 0.00 C ATOM 290 CG GLU A 21 -0.243 -2.610 8.549 1.00 0.00 C ATOM 291 CD GLU A 21 0.750 -1.467 8.331 1.00 0.00 C ATOM 292 OE1 GLU A 21 1.876 -1.517 8.846 1.00 0.00 O ATOM 293 OE2 GLU A 21 0.315 -0.500 7.595 1.00 0.00 O ATOM 0 H GLU A 21 -1.473 -4.390 9.809 1.00 0.00 H new ATOM 0 HA GLU A 21 0.824 -5.809 9.221 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.380 -3.808 7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.206 -4.508 7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.114 -2.467 7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.599 -2.596 9.579 1.00 0.00 H new ATOM 299 N ALA A 22 1.297 -3.404 11.346 1.00 0.00 N ATOM 300 CA ALA A 22 2.257 -2.803 12.255 1.00 0.00 C ATOM 301 C ALA A 22 3.067 -3.907 12.939 1.00 0.00 C ATOM 302 O ALA A 22 4.297 -3.869 12.941 1.00 0.00 O ATOM 303 CB ALA A 22 1.523 -1.911 13.257 1.00 0.00 C ATOM 0 H ALA A 22 0.328 -3.127 11.505 1.00 0.00 H new ATOM 0 HA ALA A 22 2.958 -2.171 11.710 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.244 -1.460 13.939 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.989 -1.126 12.722 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.812 -2.511 13.825 1.00 0.00 H new ATOM 309 N THR A 23 2.344 -4.862 13.503 1.00 0.00 N ATOM 310 CA THR A 23 2.980 -5.975 14.189 1.00 0.00 C ATOM 311 C THR A 23 3.637 -6.918 13.180 1.00 0.00 C ATOM 312 O THR A 23 4.779 -7.336 13.367 1.00 0.00 O ATOM 313 CB THR A 23 1.923 -6.658 15.061 1.00 0.00 C ATOM 314 OG1 THR A 23 1.774 -5.781 16.174 1.00 0.00 O ATOM 315 CG2 THR A 23 2.430 -7.962 15.679 1.00 0.00 C ATOM 0 H THR A 23 1.324 -4.889 13.500 1.00 0.00 H new ATOM 0 HA THR A 23 3.786 -5.632 14.838 1.00 0.00 H new ATOM 0 HB THR A 23 1.034 -6.861 14.464 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.105 -6.146 16.791 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.643 -8.406 16.288 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.711 -8.655 14.886 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.299 -7.755 16.304 1.00 0.00 H new ATOM 323 N GLN A 24 2.887 -7.226 12.131 1.00 0.00 N ATOM 324 CA GLN A 24 3.384 -8.112 11.092 1.00 0.00 C ATOM 325 C GLN A 24 4.844 -7.790 10.772 1.00 0.00 C ATOM 326 O GLN A 24 5.712 -8.657 10.870 1.00 0.00 O ATOM 327 CB GLN A 24 2.514 -8.025 9.836 1.00 0.00 C ATOM 328 CG GLN A 24 1.089 -8.499 10.122 1.00 0.00 C ATOM 329 CD GLN A 24 0.460 -9.130 8.877 1.00 0.00 C ATOM 330 OE1 GLN A 24 0.524 -8.598 7.781 1.00 0.00 O ATOM 331 NE2 GLN A 24 -0.148 -10.290 9.106 1.00 0.00 N ATOM 0 H GLN A 24 1.940 -6.878 11.979 1.00 0.00 H new ATOM 0 HA GLN A 24 3.332 -9.137 11.460 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.493 -6.997 9.474 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.951 -8.633 9.044 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.100 -9.224 10.936 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.482 -7.657 10.454 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.165 -10.680 10.048 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.598 -10.790 8.339 1.00 0.00 H new ATOM 338 N SER A 25 5.073 -6.540 10.395 1.00 0.00 N ATOM 339 CA SER A 25 6.413 -6.092 10.060 1.00 0.00 C ATOM 340 C SER A 25 7.109 -5.545 11.306 1.00 0.00 C ATOM 341 O SER A 25 6.473 -4.915 12.151 1.00 0.00 O ATOM 342 CB SER A 25 6.380 -5.028 8.960 1.00 0.00 C ATOM 343 OG SER A 25 7.406 -5.228 7.992 1.00 0.00 O ATOM 0 H SER A 25 4.352 -5.823 10.314 1.00 0.00 H new ATOM 0 HA SER A 25 6.975 -6.947 9.684 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.408 -5.047 8.467 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.492 -4.040 9.408 1.00 0.00 H new ATOM 0 HG SER A 25 7.350 -4.530 7.307 1.00 0.00 H new ATOM 348 N ILE A 26 8.406 -5.804 11.383 1.00 0.00 N ATOM 349 CA ILE A 26 9.196 -5.345 12.514 1.00 0.00 C ATOM 350 C ILE A 26 9.332 -3.822 12.450 1.00 0.00 C ATOM 351 O ILE A 26 9.253 -3.145 13.474 1.00 0.00 O ATOM 352 CB ILE A 26 10.536 -6.081 12.566 1.00 0.00 C ATOM 353 CG1 ILE A 26 11.378 -5.776 11.324 1.00 0.00 C ATOM 354 CG2 ILE A 26 10.329 -7.584 12.762 1.00 0.00 C ATOM 355 CD1 ILE A 26 12.393 -4.668 11.609 1.00 0.00 C ATOM 0 H ILE A 26 8.930 -6.326 10.681 1.00 0.00 H new ATOM 0 HA ILE A 26 8.693 -5.582 13.452 1.00 0.00 H new ATOM 0 HB ILE A 26 11.092 -5.717 13.430 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.899 -6.678 11.003 1.00 0.00 H new ATOM 0 HG13 ILE A 26 10.727 -5.475 10.503 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.297 -8.083 12.795 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.798 -7.759 13.698 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.744 -7.982 11.933 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.978 -4.471 10.711 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.867 -3.761 11.906 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.058 -4.982 12.414 1.00 0.00 H new ATOM 366 N ILE A 27 9.536 -3.328 11.237 1.00 0.00 N ATOM 367 CA ILE A 27 9.684 -1.899 11.027 1.00 0.00 C ATOM 368 C ILE A 27 8.483 -1.171 11.633 1.00 0.00 C ATOM 369 O ILE A 27 8.617 -0.058 12.140 1.00 0.00 O ATOM 370 CB ILE A 27 9.902 -1.595 9.543 1.00 0.00 C ATOM 371 CG1 ILE A 27 8.641 -1.897 8.731 1.00 0.00 C ATOM 372 CG2 ILE A 27 11.123 -2.344 9.004 1.00 0.00 C ATOM 373 CD1 ILE A 27 7.884 -0.610 8.397 1.00 0.00 C ATOM 0 H ILE A 27 9.602 -3.893 10.390 1.00 0.00 H new ATOM 0 HA ILE A 27 10.573 -1.530 11.539 1.00 0.00 H new ATOM 0 HB ILE A 27 10.105 -0.529 9.439 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.912 -2.413 7.810 1.00 0.00 H new ATOM 0 HG13 ILE A 27 7.993 -2.569 9.294 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.256 -2.111 7.948 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.011 -2.038 9.557 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.973 -3.417 9.123 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.992 -0.852 7.819 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.594 -0.109 9.320 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.527 0.049 7.813 1.00 0.00 H new ATOM 384 N GLY A 28 7.335 -1.829 11.562 1.00 0.00 N ATOM 385 CA GLY A 28 6.111 -1.258 12.097 1.00 0.00 C ATOM 386 C GLY A 28 6.383 -0.497 13.396 1.00 0.00 C ATOM 387 O GLY A 28 5.755 0.526 13.663 1.00 0.00 O ATOM 0 H GLY A 28 7.227 -2.752 11.142 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.668 -0.585 11.363 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.386 -2.051 12.281 1.00 0.00 H new ATOM 391 N GLY A 29 7.320 -1.025 14.169 1.00 0.00 N ATOM 392 CA GLY A 29 7.683 -0.407 15.433 1.00 0.00 C ATOM 393 C GLY A 29 8.508 0.861 15.207 1.00 0.00 C ATOM 394 O GLY A 29 8.225 1.903 15.795 1.00 0.00 O ATOM 0 H GLY A 29 7.839 -1.874 13.945 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.781 -0.163 15.995 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.253 -1.113 16.037 1.00 0.00 H new ATOM 398 N MET A 30 9.512 0.732 14.351 1.00 0.00 N ATOM 399 CA MET A 30 10.379 1.855 14.040 1.00 0.00 C ATOM 400 C MET A 30 9.600 2.974 13.347 1.00 0.00 C ATOM 401 O MET A 30 9.688 4.135 13.744 1.00 0.00 O ATOM 402 CB MET A 30 11.516 1.385 13.130 1.00 0.00 C ATOM 403 CG MET A 30 12.705 0.884 13.953 1.00 0.00 C ATOM 404 SD MET A 30 13.856 2.217 14.238 1.00 0.00 S ATOM 405 CE MET A 30 14.345 1.852 15.915 1.00 0.00 C ATOM 0 H MET A 30 9.744 -0.133 13.864 1.00 0.00 H new ATOM 0 HA MET A 30 10.786 2.245 14.973 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.159 0.588 12.478 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.834 2.205 12.486 1.00 0.00 H new ATOM 0 HG2 MET A 30 12.356 0.484 14.905 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.203 0.069 13.428 1.00 0.00 H new ATOM 0 HE1 MET A 30 15.068 2.594 16.253 1.00 0.00 H new ATOM 0 HE2 MET A 30 13.469 1.877 16.563 1.00 0.00 H new ATOM 0 HE3 MET A 30 14.797 0.861 15.955 1.00 0.00 H new ATOM 413 N ILE A 31 8.854 2.586 12.323 1.00 0.00 N ATOM 414 CA ILE A 31 8.060 3.542 11.570 1.00 0.00 C ATOM 415 C ILE A 31 7.152 4.312 12.531 1.00 0.00 C ATOM 416 O ILE A 31 7.167 5.541 12.555 1.00 0.00 O ATOM 417 CB ILE A 31 7.305 2.840 10.440 1.00 0.00 C ATOM 418 CG1 ILE A 31 6.483 3.841 9.625 1.00 0.00 C ATOM 419 CG2 ILE A 31 6.443 1.699 10.983 1.00 0.00 C ATOM 420 CD1 ILE A 31 5.687 3.131 8.527 1.00 0.00 C ATOM 0 H ILE A 31 8.783 1.622 11.997 1.00 0.00 H new ATOM 0 HA ILE A 31 8.705 4.274 11.084 1.00 0.00 H new ATOM 0 HB ILE A 31 8.037 2.398 9.764 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.801 4.379 10.284 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.145 4.582 9.178 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.917 1.217 10.159 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.079 0.969 11.484 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.718 2.097 11.693 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.112 3.865 7.963 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.373 2.614 7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.008 2.408 8.979 1.00 0.00 H new ATOM 431 N SER A 32 6.382 3.556 13.301 1.00 0.00 N ATOM 432 CA SER A 32 5.469 4.153 14.261 1.00 0.00 C ATOM 433 C SER A 32 6.160 5.303 14.996 1.00 0.00 C ATOM 434 O SER A 32 5.535 6.320 15.292 1.00 0.00 O ATOM 435 CB SER A 32 4.965 3.111 15.261 1.00 0.00 C ATOM 436 OG SER A 32 3.562 2.892 15.143 1.00 0.00 O ATOM 0 H SER A 32 6.372 2.536 13.279 1.00 0.00 H new ATOM 0 HA SER A 32 4.608 4.543 13.718 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.493 2.171 15.102 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.197 3.439 16.274 1.00 0.00 H new ATOM 0 HG SER A 32 3.280 2.219 15.797 1.00 0.00 H new ATOM 441 N GLY A 33 7.441 5.104 15.268 1.00 0.00 N ATOM 442 CA GLY A 33 8.224 6.112 15.962 1.00 0.00 C ATOM 443 C GLY A 33 8.477 7.325 15.065 1.00 0.00 C ATOM 444 O GLY A 33 8.433 8.464 15.526 1.00 0.00 O ATOM 0 H GLY A 33 7.956 4.259 15.020 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.700 6.426 16.865 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.176 5.684 16.278 1.00 0.00 H new ATOM 448 N TRP A 34 8.737 7.038 13.797 1.00 0.00 N ATOM 449 CA TRP A 34 8.997 8.091 12.831 1.00 0.00 C ATOM 450 C TRP A 34 7.781 9.020 12.805 1.00 0.00 C ATOM 451 O TRP A 34 7.917 10.230 12.976 1.00 0.00 O ATOM 452 CB TRP A 34 9.330 7.505 11.458 1.00 0.00 C ATOM 453 CG TRP A 34 9.922 8.517 10.475 1.00 0.00 C ATOM 454 CD1 TRP A 34 10.936 9.369 10.679 1.00 0.00 C ATOM 455 CD2 TRP A 34 9.493 8.749 9.117 1.00 0.00 C ATOM 456 NE1 TRP A 34 11.190 10.131 9.557 1.00 0.00 N ATOM 457 CE2 TRP A 34 10.284 9.742 8.577 1.00 0.00 C ATOM 458 CE3 TRP A 34 8.468 8.141 8.370 1.00 0.00 C ATOM 459 CZ2 TRP A 34 10.135 10.214 7.267 1.00 0.00 C ATOM 460 CZ3 TRP A 34 8.333 8.625 7.063 1.00 0.00 C ATOM 461 CH2 TRP A 34 9.121 9.623 6.504 1.00 0.00 C ATOM 0 H TRP A 34 8.773 6.092 13.417 1.00 0.00 H new ATOM 0 HA TRP A 34 9.873 8.672 13.120 1.00 0.00 H new ATOM 0 HB2 TRP A 34 10.035 6.684 11.586 1.00 0.00 H new ATOM 0 HB3 TRP A 34 8.423 7.082 11.026 1.00 0.00 H new ATOM 0 HD1 TRP A 34 11.485 9.449 11.605 1.00 0.00 H new ATOM 0 HE1 TRP A 34 11.910 10.848 9.464 1.00 0.00 H new ATOM 0 HE3 TRP A 34 7.836 7.363 8.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 10.768 10.992 6.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 7.561 8.191 6.445 1.00 0.00 H new ATOM 0 HH2 TRP A 34 8.952 9.941 5.486 1.00 0.00 H new ATOM 471 N ALA A 35 6.621 8.418 12.589 1.00 0.00 N ATOM 472 CA ALA A 35 5.382 9.176 12.538 1.00 0.00 C ATOM 473 C ALA A 35 5.154 9.862 13.887 1.00 0.00 C ATOM 474 O ALA A 35 4.656 10.985 13.940 1.00 0.00 O ATOM 475 CB ALA A 35 4.230 8.246 12.154 1.00 0.00 C ATOM 0 H ALA A 35 6.513 7.414 12.447 1.00 0.00 H new ATOM 0 HA ALA A 35 5.439 9.955 11.777 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.301 8.814 12.116 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.427 7.807 11.176 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.140 7.453 12.896 1.00 0.00 H new ATOM 481 N SER A 36 5.528 9.156 14.944 1.00 0.00 N ATOM 482 CA SER A 36 5.369 9.681 16.290 1.00 0.00 C ATOM 483 C SER A 36 6.327 10.854 16.509 1.00 0.00 C ATOM 484 O SER A 36 6.002 11.803 17.222 1.00 0.00 O ATOM 485 CB SER A 36 5.611 8.595 17.338 1.00 0.00 C ATOM 486 OG SER A 36 5.062 8.944 18.606 1.00 0.00 O ATOM 0 H SER A 36 5.941 8.225 14.896 1.00 0.00 H new ATOM 0 HA SER A 36 4.343 10.031 16.402 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.170 7.658 16.998 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.682 8.424 17.442 1.00 0.00 H new ATOM 0 HG SER A 36 5.236 8.224 19.247 1.00 0.00 H new ATOM 491 N GLY A 37 7.491 10.751 15.883 1.00 0.00 N ATOM 492 CA GLY A 37 8.499 11.791 16.001 1.00 0.00 C ATOM 493 C GLY A 37 8.029 13.087 15.336 1.00 0.00 C ATOM 494 O GLY A 37 8.016 14.143 15.968 1.00 0.00 O ATOM 0 H GLY A 37 7.758 9.963 15.293 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.715 11.975 17.053 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.428 11.457 15.539 1.00 0.00 H new ATOM 498 N LEU A 38 7.656 12.964 14.072 1.00 0.00 N ATOM 499 CA LEU A 38 7.187 14.113 13.315 1.00 0.00 C ATOM 500 C LEU A 38 5.982 14.731 14.028 1.00 0.00 C ATOM 501 O LEU A 38 5.890 15.951 14.156 1.00 0.00 O ATOM 502 CB LEU A 38 6.907 13.720 11.863 1.00 0.00 C ATOM 503 CG LEU A 38 5.938 12.554 11.658 1.00 0.00 C ATOM 504 CD1 LEU A 38 4.486 13.036 11.690 1.00 0.00 C ATOM 505 CD2 LEU A 38 6.260 11.792 10.372 1.00 0.00 C ATOM 0 H LEU A 38 7.669 12.087 13.552 1.00 0.00 H new ATOM 0 HA LEU A 38 7.960 14.881 13.270 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.511 14.591 11.342 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.854 13.467 11.387 1.00 0.00 H new ATOM 0 HG LEU A 38 6.065 11.856 12.486 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.818 12.188 11.542 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.277 13.498 12.655 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.327 13.766 10.896 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.556 10.969 10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.179 12.466 9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.274 11.397 10.427 1.00 0.00 H new ATOM 516 N ALA A 39 5.088 13.860 14.474 1.00 0.00 N ATOM 517 CA ALA A 39 3.893 14.306 15.171 1.00 0.00 C ATOM 518 C ALA A 39 4.299 15.077 16.428 1.00 0.00 C ATOM 519 O ALA A 39 3.614 16.014 16.834 1.00 0.00 O ATOM 520 CB ALA A 39 3.008 13.098 15.487 1.00 0.00 C ATOM 0 H ALA A 39 5.167 12.849 14.366 1.00 0.00 H new ATOM 0 HA ALA A 39 3.311 14.982 14.544 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.111 13.431 16.010 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.724 12.602 14.559 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.558 12.399 16.118 1.00 0.00 H new ATOM 526 N GLY A 40 5.412 14.654 17.010 1.00 0.00 N ATOM 527 CA GLY A 40 5.917 15.293 18.213 1.00 0.00 C ATOM 528 C GLY A 40 6.447 16.695 17.908 1.00 0.00 C ATOM 529 O GLY A 40 7.657 16.913 17.883 1.00 0.00 O ATOM 0 H GLY A 40 5.978 13.876 16.670 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.123 15.355 18.957 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.712 14.686 18.645 1.00 0.00 H new ATOM 533 N MET A 41 5.515 17.609 17.682 1.00 0.00 N ATOM 534 CA MET A 41 5.873 18.985 17.380 1.00 0.00 C ATOM 535 C MET A 41 7.085 19.429 18.202 1.00 0.00 C ATOM 536 O MET A 41 8.137 19.740 17.645 1.00 0.00 O ATOM 537 CB MET A 41 4.687 19.901 17.684 1.00 0.00 C ATOM 538 CG MET A 41 4.561 20.156 19.188 1.00 0.00 C ATOM 539 SD MET A 41 2.859 19.977 19.696 1.00 0.00 S ATOM 540 CE MET A 41 2.987 20.508 21.396 1.00 0.00 C ATOM 0 H MET A 41 4.512 17.424 17.702 1.00 0.00 H new ATOM 0 HA MET A 41 6.131 19.049 16.323 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.812 20.849 17.160 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.768 19.449 17.310 1.00 0.00 H new ATOM 0 HG2 MET A 41 5.189 19.455 19.738 1.00 0.00 H new ATOM 0 HG3 MET A 41 4.917 21.158 19.427 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.006 20.458 21.868 1.00 0.00 H new ATOM 0 HE2 MET A 41 3.680 19.857 21.929 1.00 0.00 H new ATOM 0 HE3 MET A 41 3.354 21.534 21.430 1.00 0.00 H new TER 548 MET A 41