USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=9 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= -0.8! F(o=-6,f=-1.6!) USER MOD Set 1.2: A 12 ASN : amide:sc= -1.67! C(o=-1.6!,f=-2.9!) USER MOD Set 1.3: A 14 LYS NZ :NH3+ -141:sc= 0.831 (180deg=-0.135) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -2.08! C(o=-2.1!,f=-1.8!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0167 X(o=-0.017,f=-0.033) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.37 K(o=-1.4,f=-1.9) USER MOD Single : A 25 SER OG : rot 38:sc=0.000389 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 91:sc= 0.0207 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -23.336 6.425 7.271 1.00 0.00 N ATOM 2 CA ALA A 1 -22.873 6.008 8.583 1.00 0.00 C ATOM 3 C ALA A 1 -21.505 5.336 8.448 1.00 0.00 C ATOM 4 O ALA A 1 -21.412 4.196 7.995 1.00 0.00 O ATOM 5 CB ALA A 1 -23.915 5.088 9.223 1.00 0.00 C ATOM 0 H1 ALA A 1 -24.266 6.882 7.360 1.00 0.00 H new ATOM 0 H2 ALA A 1 -22.657 7.098 6.861 1.00 0.00 H new ATOM 0 H3 ALA A 1 -23.417 5.594 6.651 1.00 0.00 H new ATOM 0 HA ALA A 1 -22.752 6.870 9.239 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -23.568 4.775 10.208 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -24.859 5.623 9.324 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -24.061 4.210 8.594 1.00 0.00 H new ATOM 11 N ARG A 2 -20.478 6.071 8.849 1.00 0.00 N ATOM 12 CA ARG A 2 -19.120 5.560 8.778 1.00 0.00 C ATOM 13 C ARG A 2 -19.080 4.095 9.217 1.00 0.00 C ATOM 14 O ARG A 2 -19.788 3.701 10.143 1.00 0.00 O ATOM 15 CB ARG A 2 -18.177 6.376 9.664 1.00 0.00 C ATOM 16 CG ARG A 2 -16.991 6.908 8.858 1.00 0.00 C ATOM 17 CD ARG A 2 -17.186 8.383 8.501 1.00 0.00 C ATOM 18 NE ARG A 2 -16.879 8.602 7.070 1.00 0.00 N ATOM 19 CZ ARG A 2 -16.786 9.810 6.498 1.00 0.00 C ATOM 20 NH1 ARG A 2 -16.974 10.915 7.232 1.00 0.00 N ATOM 21 NH2 ARG A 2 -16.503 9.914 5.193 1.00 0.00 N ATOM 0 H ARG A 2 -20.559 7.016 9.224 1.00 0.00 H new ATOM 0 HA ARG A 2 -18.789 5.642 7.743 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -18.721 7.209 10.110 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -17.815 5.756 10.484 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -16.073 6.788 9.433 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -16.875 6.322 7.946 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -18.212 8.684 8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -16.538 9.004 9.120 1.00 0.00 H new ATOM 0 HE ARG A 2 -16.729 7.782 6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -17.188 10.837 8.226 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -16.903 11.835 6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -16.358 9.073 4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.432 10.834 4.758 1.00 0.00 H new ATOM 32 N SER A 3 -18.245 3.327 8.533 1.00 0.00 N ATOM 33 CA SER A 3 -18.104 1.914 8.841 1.00 0.00 C ATOM 34 C SER A 3 -17.164 1.250 7.833 1.00 0.00 C ATOM 35 O SER A 3 -15.994 1.012 8.132 1.00 0.00 O ATOM 36 CB SER A 3 -19.463 1.212 8.841 1.00 0.00 C ATOM 37 OG SER A 3 -19.333 -0.201 8.718 1.00 0.00 O ATOM 0 H SER A 3 -17.659 3.657 7.766 1.00 0.00 H new ATOM 0 HA SER A 3 -17.678 1.823 9.840 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.993 1.448 9.763 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.068 1.593 8.019 1.00 0.00 H new ATOM 0 HG SER A 3 -20.222 -0.613 8.724 1.00 0.00 H new ATOM 42 N TYR A 4 -17.709 0.970 6.659 1.00 0.00 N ATOM 43 CA TYR A 4 -16.934 0.338 5.605 1.00 0.00 C ATOM 44 C TYR A 4 -16.320 -0.977 6.089 1.00 0.00 C ATOM 45 O TYR A 4 -15.373 -0.972 6.874 1.00 0.00 O ATOM 46 CB TYR A 4 -15.809 1.317 5.264 1.00 0.00 C ATOM 47 CG TYR A 4 -16.300 2.695 4.813 1.00 0.00 C ATOM 48 CD1 TYR A 4 -16.705 2.889 3.508 1.00 0.00 C ATOM 49 CD2 TYR A 4 -16.336 3.742 5.710 1.00 0.00 C ATOM 50 CE1 TYR A 4 -17.166 4.186 3.083 1.00 0.00 C ATOM 51 CE2 TYR A 4 -16.796 5.039 5.286 1.00 0.00 C ATOM 52 CZ TYR A 4 -17.189 5.197 3.993 1.00 0.00 C ATOM 53 OH TYR A 4 -17.625 6.421 3.592 1.00 0.00 O ATOM 0 H TYR A 4 -18.679 1.169 6.414 1.00 0.00 H new ATOM 0 HA TYR A 4 -17.567 0.112 4.746 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -15.169 1.438 6.138 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -15.192 0.886 4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -16.676 2.069 2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -16.019 3.589 6.731 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -17.486 4.352 2.065 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -16.828 5.867 5.978 1.00 0.00 H new ATOM 0 HH TYR A 4 -17.588 7.045 4.347 1.00 0.00 H new ATOM 62 N GLY A 5 -16.885 -2.072 5.603 1.00 0.00 N ATOM 63 CA GLY A 5 -16.404 -3.391 5.976 1.00 0.00 C ATOM 64 C GLY A 5 -16.651 -3.665 7.461 1.00 0.00 C ATOM 65 O GLY A 5 -17.662 -4.262 7.826 1.00 0.00 O ATOM 0 H GLY A 5 -17.672 -2.073 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -16.906 -4.149 5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.338 -3.468 5.761 1.00 0.00 H new ATOM 69 N ASN A 6 -15.709 -3.214 8.277 1.00 0.00 N ATOM 70 CA ASN A 6 -15.811 -3.403 9.714 1.00 0.00 C ATOM 71 C ASN A 6 -14.785 -2.511 10.415 1.00 0.00 C ATOM 72 O ASN A 6 -13.782 -2.999 10.930 1.00 0.00 O ATOM 73 CB ASN A 6 -15.520 -4.854 10.101 1.00 0.00 C ATOM 74 CG ASN A 6 -14.104 -5.259 9.683 1.00 0.00 C ATOM 75 OD1 ASN A 6 -13.792 -5.401 8.512 1.00 0.00 O ATOM 76 ND2 ASN A 6 -13.268 -5.436 10.702 1.00 0.00 N ATOM 0 H ASN A 6 -14.872 -2.718 7.970 1.00 0.00 H new ATOM 0 HA ASN A 6 -16.826 -3.146 10.017 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -15.634 -4.977 11.178 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -16.246 -5.514 9.626 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -12.300 -5.707 10.527 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -13.594 -5.301 11.659 1.00 0.00 H new ATOM 82 N GLY A 7 -15.074 -1.217 10.413 1.00 0.00 N ATOM 83 CA GLY A 7 -14.189 -0.252 11.042 1.00 0.00 C ATOM 84 C GLY A 7 -13.320 0.455 10.001 1.00 0.00 C ATOM 85 O GLY A 7 -12.854 -0.169 9.048 1.00 0.00 O ATOM 0 H GLY A 7 -15.909 -0.815 9.986 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.778 0.484 11.590 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.553 -0.757 11.769 1.00 0.00 H new ATOM 89 N VAL A 8 -13.125 1.748 10.218 1.00 0.00 N ATOM 90 CA VAL A 8 -12.320 2.546 9.310 1.00 0.00 C ATOM 91 C VAL A 8 -11.853 3.813 10.030 1.00 0.00 C ATOM 92 O VAL A 8 -10.686 4.191 9.936 1.00 0.00 O ATOM 93 CB VAL A 8 -13.107 2.840 8.032 1.00 0.00 C ATOM 94 CG1 VAL A 8 -12.685 4.179 7.424 1.00 0.00 C ATOM 95 CG2 VAL A 8 -12.951 1.704 7.019 1.00 0.00 C ATOM 0 H VAL A 8 -13.511 2.262 11.010 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.429 1.997 9.006 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.162 2.910 8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.260 4.364 6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.871 4.979 8.141 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.623 4.150 7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.520 1.938 6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.898 1.588 6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.323 0.776 7.453 1.00 0.00 H new ATOM 105 N TYR A 9 -12.789 4.435 10.732 1.00 0.00 N ATOM 106 CA TYR A 9 -12.488 5.651 11.468 1.00 0.00 C ATOM 107 C TYR A 9 -11.948 5.331 12.862 1.00 0.00 C ATOM 108 O TYR A 9 -10.957 5.914 13.298 1.00 0.00 O ATOM 109 CB TYR A 9 -13.815 6.399 11.607 1.00 0.00 C ATOM 110 CG TYR A 9 -14.948 5.553 12.193 1.00 0.00 C ATOM 111 CD1 TYR A 9 -15.100 5.458 13.561 1.00 0.00 C ATOM 112 CD2 TYR A 9 -15.815 4.884 11.354 1.00 0.00 C ATOM 113 CE1 TYR A 9 -16.166 4.662 14.114 1.00 0.00 C ATOM 114 CE2 TYR A 9 -16.880 4.087 11.906 1.00 0.00 C ATOM 115 CZ TYR A 9 -17.003 4.016 13.258 1.00 0.00 C ATOM 116 OH TYR A 9 -18.008 3.263 13.779 1.00 0.00 O ATOM 0 H TYR A 9 -13.756 4.120 10.807 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.730 6.236 10.947 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -13.663 7.273 12.240 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.119 6.765 10.626 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -14.420 5.980 14.217 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.695 4.958 10.283 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -16.297 4.580 15.183 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.565 3.558 11.261 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.527 2.861 13.051 1.00 0.00 H new ATOM 125 N CYS A 10 -12.624 4.403 13.524 1.00 0.00 N ATOM 126 CA CYS A 10 -12.225 3.997 14.861 1.00 0.00 C ATOM 127 C CYS A 10 -13.196 2.919 15.346 1.00 0.00 C ATOM 128 O CYS A 10 -14.287 2.768 14.797 1.00 0.00 O ATOM 129 CB CYS A 10 -12.168 5.187 15.820 1.00 0.00 C ATOM 130 SG CYS A 10 -11.716 4.764 17.543 1.00 0.00 S ATOM 0 H CYS A 10 -13.445 3.921 13.159 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.215 3.588 14.833 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.447 5.910 15.437 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.141 5.679 15.825 1.00 0.00 H new ATOM 134 N ASN A 11 -12.766 2.197 16.370 1.00 0.00 N ATOM 135 CA ASN A 11 -13.584 1.138 16.936 1.00 0.00 C ATOM 136 C ASN A 11 -14.381 1.690 18.119 1.00 0.00 C ATOM 137 O ASN A 11 -14.045 2.743 18.660 1.00 0.00 O ATOM 138 CB ASN A 11 -12.718 -0.015 17.446 1.00 0.00 C ATOM 139 CG ASN A 11 -13.550 -1.286 17.634 1.00 0.00 C ATOM 140 OD1 ASN A 11 -13.420 -1.843 18.834 1.00 0.00 O flip ATOM 141 ND2 ASN A 11 -14.261 -1.729 16.748 1.00 0.00 N flip ATOM 0 H ASN A 11 -11.861 2.325 16.823 1.00 0.00 H new ATOM 0 HA ASN A 11 -14.248 0.771 16.153 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.910 -0.207 16.741 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.255 0.264 18.393 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -14.314 -1.250 15.849 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -14.803 -2.579 16.906 1.00 0.00 H new ATOM 147 N ASN A 12 -15.420 0.956 18.488 1.00 0.00 N ATOM 148 CA ASN A 12 -16.266 1.359 19.598 1.00 0.00 C ATOM 149 C ASN A 12 -15.392 1.917 20.723 1.00 0.00 C ATOM 150 O ASN A 12 -15.404 3.119 20.984 1.00 0.00 O ATOM 151 CB ASN A 12 -17.049 0.169 20.154 1.00 0.00 C ATOM 152 CG ASN A 12 -16.283 -1.139 19.942 1.00 0.00 C ATOM 153 OD1 ASN A 12 -15.556 -1.610 20.801 1.00 0.00 O ATOM 154 ND2 ASN A 12 -16.487 -1.698 18.753 1.00 0.00 N ATOM 0 H ASN A 12 -15.695 0.083 18.037 1.00 0.00 H new ATOM 0 HA ASN A 12 -16.965 2.112 19.233 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.236 0.317 21.218 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -18.021 0.108 19.665 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.022 -2.574 18.515 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -17.109 -1.251 18.079 1.00 0.00 H new ATOM 160 N LYS A 13 -14.656 1.019 21.359 1.00 0.00 N ATOM 161 CA LYS A 13 -13.778 1.406 22.450 1.00 0.00 C ATOM 162 C LYS A 13 -12.351 1.561 21.920 1.00 0.00 C ATOM 163 O LYS A 13 -11.693 2.567 22.181 1.00 0.00 O ATOM 164 CB LYS A 13 -13.898 0.419 23.612 1.00 0.00 C ATOM 165 CG LYS A 13 -12.694 0.524 24.548 1.00 0.00 C ATOM 166 CD LYS A 13 -11.567 -0.409 24.100 1.00 0.00 C ATOM 167 CE LYS A 13 -11.441 -1.608 25.042 1.00 0.00 C ATOM 168 NZ LYS A 13 -12.540 -2.571 24.807 1.00 0.00 N ATOM 0 H LYS A 13 -14.649 0.023 21.140 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.076 2.374 22.853 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.814 0.617 24.169 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.974 -0.597 23.224 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.333 1.552 24.568 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.996 0.273 25.565 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.760 -0.758 23.086 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.625 0.139 24.075 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.480 -2.099 24.888 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.463 -1.268 26.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.439 -3.378 25.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.453 -2.104 24.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.501 -2.909 23.824 1.00 0.00 H new ATOM 178 N LYS A 14 -11.913 0.549 21.185 1.00 0.00 N ATOM 179 CA LYS A 14 -10.577 0.560 20.616 1.00 0.00 C ATOM 180 C LYS A 14 -10.488 1.657 19.554 1.00 0.00 C ATOM 181 O LYS A 14 -11.437 2.415 19.358 1.00 0.00 O ATOM 182 CB LYS A 14 -10.204 -0.831 20.098 1.00 0.00 C ATOM 183 CG LYS A 14 -10.245 -1.865 21.225 1.00 0.00 C ATOM 184 CD LYS A 14 -9.603 -3.182 20.783 1.00 0.00 C ATOM 185 CE LYS A 14 -10.264 -3.715 19.511 1.00 0.00 C ATOM 186 NZ LYS A 14 -11.688 -4.029 19.760 1.00 0.00 N ATOM 0 H LYS A 14 -12.461 -0.284 20.971 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.839 0.798 21.382 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.892 -1.124 19.305 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.206 -0.804 19.660 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.722 -1.477 22.099 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.278 -2.042 21.524 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.538 -3.030 20.607 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.693 -3.920 21.580 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.182 -2.976 18.714 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.742 -4.609 19.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.945 -4.901 19.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.841 -4.162 20.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.281 -3.245 19.421 1.00 0.00 H new ATOM 196 N CYS A 15 -9.340 1.707 18.894 1.00 0.00 N ATOM 197 CA CYS A 15 -9.115 2.698 17.856 1.00 0.00 C ATOM 198 C CYS A 15 -7.972 2.210 16.964 1.00 0.00 C ATOM 199 O CYS A 15 -6.818 2.582 17.168 1.00 0.00 O ATOM 200 CB CYS A 15 -8.828 4.080 18.445 1.00 0.00 C ATOM 201 SG CYS A 15 -9.831 5.438 17.741 1.00 0.00 S ATOM 0 H CYS A 15 -8.555 1.076 19.058 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.019 2.811 17.257 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.997 4.043 19.521 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.773 4.311 18.296 1.00 0.00 H new ATOM 205 N TRP A 16 -8.332 1.382 15.993 1.00 0.00 N ATOM 206 CA TRP A 16 -7.352 0.839 15.070 1.00 0.00 C ATOM 207 C TRP A 16 -6.410 1.973 14.660 1.00 0.00 C ATOM 208 O TRP A 16 -5.191 1.845 14.775 1.00 0.00 O ATOM 209 CB TRP A 16 -8.034 0.168 13.877 1.00 0.00 C ATOM 210 CG TRP A 16 -9.389 0.777 13.511 1.00 0.00 C ATOM 211 CD1 TRP A 16 -9.628 1.910 12.836 1.00 0.00 C ATOM 212 CD2 TRP A 16 -10.689 0.238 13.829 1.00 0.00 C ATOM 213 NE1 TRP A 16 -10.981 2.139 12.696 1.00 0.00 N ATOM 214 CE2 TRP A 16 -11.647 1.090 13.319 1.00 0.00 C ATOM 215 CE3 TRP A 16 -11.043 -0.931 14.524 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -13.023 0.864 13.451 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -12.421 -1.143 14.647 1.00 0.00 C ATOM 218 CH2 TRP A 16 -13.399 -0.296 14.141 1.00 0.00 C ATOM 0 H TRP A 16 -9.290 1.075 15.827 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.766 0.054 15.548 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -7.374 0.230 13.012 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -8.171 -0.891 14.098 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.858 2.562 12.450 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -11.413 2.932 12.222 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -10.310 -1.612 14.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -13.754 1.546 13.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -12.747 -2.028 15.173 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -14.444 -0.531 14.279 1.00 0.00 H new ATOM 228 N VAL A 17 -7.010 3.056 14.189 1.00 0.00 N ATOM 229 CA VAL A 17 -6.239 4.212 13.762 1.00 0.00 C ATOM 230 C VAL A 17 -5.371 3.825 12.563 1.00 0.00 C ATOM 231 O VAL A 17 -5.725 4.104 11.419 1.00 0.00 O ATOM 232 CB VAL A 17 -5.428 4.763 14.935 1.00 0.00 C ATOM 233 CG1 VAL A 17 -4.260 5.620 14.439 1.00 0.00 C ATOM 234 CG2 VAL A 17 -6.319 5.555 15.894 1.00 0.00 C ATOM 0 H VAL A 17 -8.020 3.158 14.094 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.901 5.015 13.438 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.015 3.916 15.483 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.699 6.000 15.293 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.604 5.014 13.814 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.645 6.457 13.856 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.717 5.936 16.719 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.775 6.390 15.362 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.101 4.904 16.285 1.00 0.00 H new ATOM 244 N ASN A 18 -4.249 3.188 12.866 1.00 0.00 N ATOM 245 CA ASN A 18 -3.327 2.760 11.829 1.00 0.00 C ATOM 246 C ASN A 18 -2.882 1.323 12.108 1.00 0.00 C ATOM 247 O ASN A 18 -1.991 1.093 12.923 1.00 0.00 O ATOM 248 CB ASN A 18 -2.079 3.644 11.802 1.00 0.00 C ATOM 249 CG ASN A 18 -1.835 4.208 10.400 1.00 0.00 C ATOM 250 OD1 ASN A 18 -1.818 3.494 9.411 1.00 0.00 O ATOM 251 ND2 ASN A 18 -1.650 5.524 10.372 1.00 0.00 N ATOM 0 H ASN A 18 -3.958 2.958 13.816 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.841 2.833 10.871 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.194 4.463 12.512 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.212 3.065 12.121 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.481 5.996 9.484 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.677 6.061 11.239 1.00 0.00 H new ATOM 257 N ARG A 19 -3.525 0.393 11.416 1.00 0.00 N ATOM 258 CA ARG A 19 -3.208 -1.015 11.580 1.00 0.00 C ATOM 259 C ARG A 19 -1.934 -1.365 10.809 1.00 0.00 C ATOM 260 O ARG A 19 -1.061 -2.059 11.327 1.00 0.00 O ATOM 261 CB ARG A 19 -4.354 -1.900 11.086 1.00 0.00 C ATOM 262 CG ARG A 19 -5.320 -2.233 12.225 1.00 0.00 C ATOM 263 CD ARG A 19 -6.632 -2.802 11.682 1.00 0.00 C ATOM 264 NE ARG A 19 -6.373 -4.056 10.940 1.00 0.00 N ATOM 265 CZ ARG A 19 -7.334 -4.868 10.479 1.00 0.00 C ATOM 266 NH1 ARG A 19 -8.623 -4.563 10.680 1.00 0.00 N ATOM 267 NH2 ARG A 19 -7.005 -5.985 9.817 1.00 0.00 N ATOM 0 H ARG A 19 -4.264 0.588 10.741 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.056 -1.198 12.644 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.892 -1.392 10.285 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.951 -2.821 10.665 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.858 -2.954 12.899 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.523 -1.335 12.809 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.323 -2.992 12.503 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.110 -2.074 11.026 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.402 -4.319 10.769 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.873 -3.712 11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.354 -5.181 10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.024 -6.217 9.664 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.736 -6.604 9.466 1.00 0.00 H new ATOM 278 N GLY A 20 -1.868 -0.868 9.582 1.00 0.00 N ATOM 279 CA GLY A 20 -0.714 -1.119 8.734 1.00 0.00 C ATOM 280 C GLY A 20 0.580 -1.097 9.549 1.00 0.00 C ATOM 281 O GLY A 20 1.194 -2.140 9.773 1.00 0.00 O ATOM 0 H GLY A 20 -2.594 -0.293 9.155 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.822 -2.086 8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.665 -0.366 7.947 1.00 0.00 H new ATOM 285 N GLU A 21 0.958 0.100 9.970 1.00 0.00 N ATOM 286 CA GLU A 21 2.169 0.271 10.754 1.00 0.00 C ATOM 287 C GLU A 21 2.183 -0.710 11.927 1.00 0.00 C ATOM 288 O GLU A 21 3.229 -1.265 12.264 1.00 0.00 O ATOM 289 CB GLU A 21 2.306 1.714 11.245 1.00 0.00 C ATOM 290 CG GLU A 21 1.037 2.169 11.969 1.00 0.00 C ATOM 291 CD GLU A 21 1.280 2.291 13.475 1.00 0.00 C ATOM 292 OE1 GLU A 21 2.200 3.006 13.899 1.00 0.00 O ATOM 293 OE2 GLU A 21 0.471 1.611 14.214 1.00 0.00 O ATOM 0 H GLU A 21 0.446 0.962 9.783 1.00 0.00 H new ATOM 0 HA GLU A 21 3.026 0.057 10.115 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.161 1.794 11.917 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.503 2.373 10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.711 3.130 11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.233 1.457 11.783 1.00 0.00 H new ATOM 299 N ALA A 22 1.012 -0.896 12.517 1.00 0.00 N ATOM 300 CA ALA A 22 0.877 -1.802 13.645 1.00 0.00 C ATOM 301 C ALA A 22 1.281 -3.213 13.213 1.00 0.00 C ATOM 302 O ALA A 22 2.064 -3.874 13.893 1.00 0.00 O ATOM 303 CB ALA A 22 -0.557 -1.743 14.179 1.00 0.00 C ATOM 0 H ALA A 22 0.147 -0.434 12.235 1.00 0.00 H new ATOM 0 HA ALA A 22 1.540 -1.504 14.457 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.658 -2.423 15.025 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.784 -0.727 14.501 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.251 -2.038 13.392 1.00 0.00 H new ATOM 309 N THR A 23 0.729 -3.631 12.083 1.00 0.00 N ATOM 310 CA THR A 23 1.023 -4.951 11.552 1.00 0.00 C ATOM 311 C THR A 23 2.532 -5.134 11.380 1.00 0.00 C ATOM 312 O THR A 23 3.152 -5.920 12.094 1.00 0.00 O ATOM 313 CB THR A 23 0.237 -5.123 10.251 1.00 0.00 C ATOM 314 OG1 THR A 23 -0.989 -5.723 10.661 1.00 0.00 O ATOM 315 CG2 THR A 23 0.866 -6.160 9.319 1.00 0.00 C ATOM 0 H THR A 23 0.081 -3.079 11.521 1.00 0.00 H new ATOM 0 HA THR A 23 0.710 -5.734 12.243 1.00 0.00 H new ATOM 0 HB THR A 23 0.174 -4.164 9.737 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.560 -5.868 9.878 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.269 -6.243 8.411 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.879 -5.850 9.060 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.900 -7.127 9.821 1.00 0.00 H new ATOM 323 N GLN A 24 3.081 -4.394 10.427 1.00 0.00 N ATOM 324 CA GLN A 24 4.505 -4.464 10.151 1.00 0.00 C ATOM 325 C GLN A 24 5.298 -4.470 11.459 1.00 0.00 C ATOM 326 O GLN A 24 6.264 -5.220 11.600 1.00 0.00 O ATOM 327 CB GLN A 24 4.946 -3.311 9.247 1.00 0.00 C ATOM 328 CG GLN A 24 4.545 -1.961 9.846 1.00 0.00 C ATOM 329 CD GLN A 24 5.083 -0.804 9.002 1.00 0.00 C ATOM 330 OE1 GLN A 24 4.369 -0.170 8.243 1.00 0.00 O ATOM 331 NE2 GLN A 24 6.381 -0.567 9.174 1.00 0.00 N ATOM 0 H GLN A 24 2.564 -3.743 9.836 1.00 0.00 H new ATOM 0 HA GLN A 24 4.708 -5.395 9.621 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.027 -3.345 9.109 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.495 -3.424 8.261 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.459 -1.895 9.909 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.928 -1.882 10.863 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.921 -1.136 9.826 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.836 0.184 8.654 1.00 0.00 H new ATOM 338 N SER A 25 4.863 -3.627 12.383 1.00 0.00 N ATOM 339 CA SER A 25 5.521 -3.525 13.674 1.00 0.00 C ATOM 340 C SER A 25 4.516 -3.090 14.741 1.00 0.00 C ATOM 341 O SER A 25 3.773 -2.128 14.544 1.00 0.00 O ATOM 342 CB SER A 25 6.695 -2.546 13.619 1.00 0.00 C ATOM 343 OG SER A 25 7.946 -3.217 13.500 1.00 0.00 O ATOM 0 H SER A 25 4.062 -3.007 12.263 1.00 0.00 H new ATOM 0 HA SER A 25 5.915 -4.507 13.935 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.564 -1.871 12.773 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.697 -1.932 14.520 1.00 0.00 H new ATOM 0 HG SER A 25 7.847 -3.990 12.906 1.00 0.00 H new ATOM 348 N ILE A 26 4.522 -3.817 15.849 1.00 0.00 N ATOM 349 CA ILE A 26 3.620 -3.517 16.947 1.00 0.00 C ATOM 350 C ILE A 26 4.044 -2.202 17.605 1.00 0.00 C ATOM 351 O ILE A 26 3.200 -1.371 17.938 1.00 0.00 O ATOM 352 CB ILE A 26 3.549 -4.696 17.919 1.00 0.00 C ATOM 353 CG1 ILE A 26 4.912 -4.957 18.565 1.00 0.00 C ATOM 354 CG2 ILE A 26 2.994 -5.943 17.229 1.00 0.00 C ATOM 355 CD1 ILE A 26 5.026 -4.240 19.912 1.00 0.00 C ATOM 0 H ILE A 26 5.138 -4.614 16.009 1.00 0.00 H new ATOM 0 HA ILE A 26 2.604 -3.376 16.578 1.00 0.00 H new ATOM 0 HB ILE A 26 2.857 -4.437 18.720 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.052 -6.029 18.706 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.705 -4.617 17.899 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.954 -6.766 17.942 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.991 -5.737 16.857 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.641 -6.216 16.396 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.004 -4.442 20.350 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.909 -3.166 19.764 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.246 -4.600 20.583 1.00 0.00 H new ATOM 366 N ILE A 27 5.349 -2.055 17.774 1.00 0.00 N ATOM 367 CA ILE A 27 5.895 -0.855 18.386 1.00 0.00 C ATOM 368 C ILE A 27 5.396 0.373 17.622 1.00 0.00 C ATOM 369 O ILE A 27 5.199 1.436 18.210 1.00 0.00 O ATOM 370 CB ILE A 27 7.420 -0.946 18.477 1.00 0.00 C ATOM 371 CG1 ILE A 27 7.952 -0.082 19.622 1.00 0.00 C ATOM 372 CG2 ILE A 27 8.071 -0.591 17.139 1.00 0.00 C ATOM 373 CD1 ILE A 27 9.050 -0.815 20.396 1.00 0.00 C ATOM 0 H ILE A 27 6.045 -2.747 17.498 1.00 0.00 H new ATOM 0 HA ILE A 27 5.543 -0.757 19.413 1.00 0.00 H new ATOM 0 HB ILE A 27 7.689 -1.978 18.701 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.345 0.854 19.224 1.00 0.00 H new ATOM 0 HG13 ILE A 27 7.136 0.176 20.297 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.155 -0.663 17.231 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.725 -1.283 16.371 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.798 0.427 16.860 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.411 -0.180 21.204 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.647 -1.738 20.813 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.875 -1.050 19.723 1.00 0.00 H new ATOM 384 N GLY A 28 5.207 0.187 16.324 1.00 0.00 N ATOM 385 CA GLY A 28 4.736 1.267 15.475 1.00 0.00 C ATOM 386 C GLY A 28 5.857 1.782 14.568 1.00 0.00 C ATOM 387 O GLY A 28 6.809 2.399 15.044 1.00 0.00 O ATOM 0 H GLY A 28 5.372 -0.696 15.840 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.902 0.918 14.866 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.360 2.082 16.093 1.00 0.00 H new ATOM 391 N GLY A 29 5.707 1.510 13.281 1.00 0.00 N ATOM 392 CA GLY A 29 6.694 1.937 12.305 1.00 0.00 C ATOM 393 C GLY A 29 6.607 3.445 12.060 1.00 0.00 C ATOM 394 O GLY A 29 7.620 4.142 12.083 1.00 0.00 O ATOM 0 H GLY A 29 4.916 0.998 12.891 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.693 1.679 12.656 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.538 1.403 11.368 1.00 0.00 H new ATOM 398 N MET A 30 5.385 3.905 11.833 1.00 0.00 N ATOM 399 CA MET A 30 5.151 5.318 11.586 1.00 0.00 C ATOM 400 C MET A 30 5.651 6.170 12.754 1.00 0.00 C ATOM 401 O MET A 30 6.388 7.134 12.553 1.00 0.00 O ATOM 402 CB MET A 30 3.655 5.559 11.380 1.00 0.00 C ATOM 403 CG MET A 30 3.268 5.385 9.910 1.00 0.00 C ATOM 404 SD MET A 30 3.776 6.817 8.971 1.00 0.00 S ATOM 405 CE MET A 30 3.353 6.274 7.325 1.00 0.00 C ATOM 0 H MET A 30 4.547 3.324 11.815 1.00 0.00 H new ATOM 0 HA MET A 30 5.701 5.607 10.690 1.00 0.00 H new ATOM 0 HB2 MET A 30 3.083 4.864 11.995 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.396 6.565 11.711 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.738 4.489 9.505 1.00 0.00 H new ATOM 0 HG3 MET A 30 2.190 5.246 9.823 1.00 0.00 H new ATOM 0 HE1 MET A 30 3.606 7.055 6.608 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.910 5.368 7.087 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.284 6.067 7.274 1.00 0.00 H new ATOM 413 N ILE A 31 5.230 5.782 13.949 1.00 0.00 N ATOM 414 CA ILE A 31 5.625 6.499 15.150 1.00 0.00 C ATOM 415 C ILE A 31 7.151 6.585 15.208 1.00 0.00 C ATOM 416 O ILE A 31 7.712 7.675 15.316 1.00 0.00 O ATOM 417 CB ILE A 31 4.998 5.856 16.388 1.00 0.00 C ATOM 418 CG1 ILE A 31 5.347 6.643 17.652 1.00 0.00 C ATOM 419 CG2 ILE A 31 5.397 4.383 16.503 1.00 0.00 C ATOM 420 CD1 ILE A 31 4.760 5.974 18.896 1.00 0.00 C ATOM 0 H ILE A 31 4.620 4.981 14.111 1.00 0.00 H new ATOM 0 HA ILE A 31 5.248 7.521 15.125 1.00 0.00 H new ATOM 0 HB ILE A 31 3.914 5.889 16.277 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.430 6.716 17.751 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.965 7.660 17.568 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.938 3.950 17.392 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.056 3.844 15.619 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.481 4.305 16.580 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.024 6.555 19.780 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.675 5.924 18.805 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.163 4.966 18.991 1.00 0.00 H new ATOM 431 N SER A 32 7.781 5.421 15.134 1.00 0.00 N ATOM 432 CA SER A 32 9.232 5.351 15.176 1.00 0.00 C ATOM 433 C SER A 32 9.836 6.450 14.301 1.00 0.00 C ATOM 434 O SER A 32 10.871 7.020 14.638 1.00 0.00 O ATOM 435 CB SER A 32 9.731 3.977 14.723 1.00 0.00 C ATOM 436 OG SER A 32 10.918 3.587 15.408 1.00 0.00 O ATOM 0 H SER A 32 7.313 4.519 15.045 1.00 0.00 H new ATOM 0 HA SER A 32 9.551 5.502 16.207 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.952 3.234 14.895 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.922 3.996 13.650 1.00 0.00 H new ATOM 0 HG SER A 32 11.203 2.704 15.092 1.00 0.00 H new ATOM 441 N GLY A 33 9.160 6.716 13.191 1.00 0.00 N ATOM 442 CA GLY A 33 9.617 7.738 12.265 1.00 0.00 C ATOM 443 C GLY A 33 9.387 9.138 12.835 1.00 0.00 C ATOM 444 O GLY A 33 10.227 10.023 12.676 1.00 0.00 O ATOM 0 H GLY A 33 8.301 6.242 12.913 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.677 7.596 12.056 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.089 7.637 11.317 1.00 0.00 H new ATOM 448 N TRP A 34 8.245 9.297 13.488 1.00 0.00 N ATOM 449 CA TRP A 34 7.894 10.575 14.083 1.00 0.00 C ATOM 450 C TRP A 34 8.976 10.934 15.103 1.00 0.00 C ATOM 451 O TRP A 34 9.607 11.985 15.000 1.00 0.00 O ATOM 452 CB TRP A 34 6.491 10.530 14.691 1.00 0.00 C ATOM 453 CG TRP A 34 5.915 11.907 15.029 1.00 0.00 C ATOM 454 CD1 TRP A 34 5.880 12.999 14.254 1.00 0.00 C ATOM 455 CD2 TRP A 34 5.289 12.295 16.269 1.00 0.00 C ATOM 456 NE1 TRP A 34 5.279 14.060 14.901 1.00 0.00 N ATOM 457 CE2 TRP A 34 4.908 13.618 16.166 1.00 0.00 C ATOM 458 CE3 TRP A 34 5.050 11.554 17.440 1.00 0.00 C ATOM 459 CZ2 TRP A 34 4.267 14.314 17.198 1.00 0.00 C ATOM 460 CZ3 TRP A 34 4.410 12.265 18.462 1.00 0.00 C ATOM 461 CH2 TRP A 34 4.020 13.596 18.373 1.00 0.00 C ATOM 0 H TRP A 34 7.551 8.561 13.618 1.00 0.00 H new ATOM 0 HA TRP A 34 7.857 11.357 13.324 1.00 0.00 H new ATOM 0 HB2 TRP A 34 5.820 10.028 13.994 1.00 0.00 H new ATOM 0 HB3 TRP A 34 6.518 9.926 15.598 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.273 13.044 13.249 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.134 14.995 14.521 1.00 0.00 H new ATOM 0 HE3 TRP A 34 5.338 10.518 17.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.979 15.349 17.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.205 11.742 19.385 1.00 0.00 H new ATOM 0 HH2 TRP A 34 3.528 14.074 19.207 1.00 0.00 H new ATOM 471 N ALA A 35 9.158 10.041 16.065 1.00 0.00 N ATOM 472 CA ALA A 35 10.153 10.251 17.103 1.00 0.00 C ATOM 473 C ALA A 35 11.531 10.413 16.457 1.00 0.00 C ATOM 474 O ALA A 35 12.335 11.232 16.901 1.00 0.00 O ATOM 475 CB ALA A 35 10.108 9.088 18.096 1.00 0.00 C ATOM 0 H ALA A 35 8.633 9.170 16.147 1.00 0.00 H new ATOM 0 HA ALA A 35 9.940 11.164 17.660 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.854 9.245 18.875 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.118 9.034 18.548 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.320 8.155 17.574 1.00 0.00 H new ATOM 481 N SER A 36 11.760 9.622 15.420 1.00 0.00 N ATOM 482 CA SER A 36 13.026 9.667 14.709 1.00 0.00 C ATOM 483 C SER A 36 13.272 11.077 14.168 1.00 0.00 C ATOM 484 O SER A 36 14.405 11.555 14.160 1.00 0.00 O ATOM 485 CB SER A 36 13.055 8.648 13.568 1.00 0.00 C ATOM 486 OG SER A 36 13.778 7.472 13.922 1.00 0.00 O ATOM 0 H SER A 36 11.090 8.946 15.055 1.00 0.00 H new ATOM 0 HA SER A 36 13.820 9.409 15.409 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.034 8.378 13.296 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.510 9.102 12.688 1.00 0.00 H new ATOM 0 HG SER A 36 13.163 6.814 14.308 1.00 0.00 H new ATOM 491 N GLY A 37 12.191 11.704 13.727 1.00 0.00 N ATOM 492 CA GLY A 37 12.274 13.050 13.185 1.00 0.00 C ATOM 493 C GLY A 37 12.548 14.070 14.291 1.00 0.00 C ATOM 494 O GLY A 37 13.450 14.898 14.167 1.00 0.00 O ATOM 0 H GLY A 37 11.253 11.305 13.734 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.066 13.097 12.438 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.342 13.300 12.678 1.00 0.00 H new ATOM 498 N LEU A 38 11.754 13.978 15.347 1.00 0.00 N ATOM 499 CA LEU A 38 11.901 14.884 16.475 1.00 0.00 C ATOM 500 C LEU A 38 13.321 14.772 17.032 1.00 0.00 C ATOM 501 O LEU A 38 14.003 15.780 17.212 1.00 0.00 O ATOM 502 CB LEU A 38 10.810 14.624 17.516 1.00 0.00 C ATOM 503 CG LEU A 38 9.374 14.599 16.990 1.00 0.00 C ATOM 504 CD1 LEU A 38 8.511 13.625 17.796 1.00 0.00 C ATOM 505 CD2 LEU A 38 8.775 16.007 16.963 1.00 0.00 C ATOM 0 H LEU A 38 11.007 13.291 15.446 1.00 0.00 H new ATOM 0 HA LEU A 38 11.765 15.917 16.154 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.016 13.668 17.998 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.880 15.392 18.287 1.00 0.00 H new ATOM 0 HG LEU A 38 9.394 14.237 15.962 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.495 13.627 17.401 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.928 12.621 17.720 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.494 13.933 18.841 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.754 15.961 16.585 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.770 16.420 17.972 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.374 16.645 16.313 1.00 0.00 H new ATOM 516 N ALA A 39 13.726 13.537 17.291 1.00 0.00 N ATOM 517 CA ALA A 39 15.053 13.281 17.823 1.00 0.00 C ATOM 518 C ALA A 39 16.102 13.716 16.800 1.00 0.00 C ATOM 519 O ALA A 39 17.226 14.059 17.163 1.00 0.00 O ATOM 520 CB ALA A 39 15.178 11.801 18.193 1.00 0.00 C ATOM 0 H ALA A 39 13.158 12.703 17.142 1.00 0.00 H new ATOM 0 HA ALA A 39 15.220 13.860 18.731 1.00 0.00 H new ATOM 0 HB1 ALA A 39 16.174 11.609 18.592 1.00 0.00 H new ATOM 0 HB2 ALA A 39 14.431 11.550 18.946 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.019 11.189 17.305 1.00 0.00 H new ATOM 526 N GLY A 40 15.699 13.689 15.537 1.00 0.00 N ATOM 527 CA GLY A 40 16.590 14.077 14.458 1.00 0.00 C ATOM 528 C GLY A 40 16.701 15.600 14.358 1.00 0.00 C ATOM 529 O GLY A 40 16.384 16.183 13.322 1.00 0.00 O ATOM 0 H GLY A 40 14.766 13.404 15.238 1.00 0.00 H new ATOM 0 HA2 GLY A 40 17.578 13.647 14.625 1.00 0.00 H new ATOM 0 HA3 GLY A 40 16.222 13.673 13.515 1.00 0.00 H new ATOM 533 N MET A 41 17.151 16.201 15.450 1.00 0.00 N ATOM 534 CA MET A 41 17.307 17.645 15.499 1.00 0.00 C ATOM 535 C MET A 41 16.033 18.350 15.030 1.00 0.00 C ATOM 536 O MET A 41 15.671 19.401 15.557 1.00 0.00 O ATOM 537 CB MET A 41 18.480 18.062 14.609 1.00 0.00 C ATOM 538 CG MET A 41 19.817 17.716 15.266 1.00 0.00 C ATOM 539 SD MET A 41 21.104 17.641 14.031 1.00 0.00 S ATOM 540 CE MET A 41 22.485 18.246 14.984 1.00 0.00 C ATOM 0 H MET A 41 17.412 15.714 16.307 1.00 0.00 H new ATOM 0 HA MET A 41 17.501 17.936 16.531 1.00 0.00 H new ATOM 0 HB2 MET A 41 18.405 17.561 13.644 1.00 0.00 H new ATOM 0 HB3 MET A 41 18.432 19.134 14.417 1.00 0.00 H new ATOM 0 HG2 MET A 41 20.066 18.465 16.018 1.00 0.00 H new ATOM 0 HG3 MET A 41 19.741 16.759 15.782 1.00 0.00 H new ATOM 0 HE1 MET A 41 23.378 18.264 14.359 1.00 0.00 H new ATOM 0 HE2 MET A 41 22.269 19.254 15.338 1.00 0.00 H new ATOM 0 HE3 MET A 41 22.653 17.590 15.838 1.00 0.00 H new TER 548 MET A 41