USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=8 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 18 ASN : amide:sc= -3.99! C(o=-4!,f=-8.9!) USER MOD Set 1.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0334 K(o=-0.033,f=-2!) USER MOD Single : A 9 TYR OH : rot 180:sc= -2.42 USER MOD Single : A 11 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.42) USER MOD Single : A 12 ASN : amide:sc= -0.0378 X(o=-0.038,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= -1.53 (180deg=-2.65) USER MOD Single : A 24 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.038) 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 -19.779 -2.471 13.742 1.00 0.00 N ATOM 2 CA ALA A 1 -20.056 -1.063 13.510 1.00 0.00 C ATOM 3 C ALA A 1 -19.004 -0.491 12.558 1.00 0.00 C ATOM 4 O ALA A 1 -17.989 0.045 13.000 1.00 0.00 O ATOM 5 CB ALA A 1 -20.096 -0.324 14.848 1.00 0.00 C ATOM 0 H1 ALA A 1 -20.493 -2.863 14.389 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.811 -2.985 12.838 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.834 -2.574 14.165 1.00 0.00 H new ATOM 0 HA ALA A 1 -21.030 -0.936 13.038 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -20.304 0.732 14.674 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.879 -0.750 15.475 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -19.134 -0.427 15.349 1.00 0.00 H new ATOM 11 N ARG A 2 -19.282 -0.624 11.269 1.00 0.00 N ATOM 12 CA ARG A 2 -18.372 -0.128 10.252 1.00 0.00 C ATOM 13 C ARG A 2 -16.988 -0.757 10.424 1.00 0.00 C ATOM 14 O ARG A 2 -16.666 -1.275 11.493 1.00 0.00 O ATOM 15 CB ARG A 2 -18.244 1.395 10.323 1.00 0.00 C ATOM 16 CG ARG A 2 -18.399 2.025 8.938 1.00 0.00 C ATOM 17 CD ARG A 2 -19.800 2.615 8.757 1.00 0.00 C ATOM 18 NE ARG A 2 -20.694 1.616 8.133 1.00 0.00 N ATOM 19 CZ ARG A 2 -21.821 1.922 7.476 1.00 0.00 C ATOM 20 NH1 ARG A 2 -22.198 3.201 7.353 1.00 0.00 N ATOM 21 NH2 ARG A 2 -22.570 0.948 6.941 1.00 0.00 N ATOM 0 H ARG A 2 -20.125 -1.069 10.906 1.00 0.00 H new ATOM 0 HA ARG A 2 -18.781 -0.403 9.280 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -19.002 1.796 10.995 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -17.274 1.663 10.741 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -17.651 2.807 8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -18.215 1.274 8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -20.202 2.921 9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -19.749 3.509 8.135 1.00 0.00 H new ATOM 0 HE ARG A 2 -20.437 0.632 8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -21.627 3.942 7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -23.056 3.434 6.853 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -22.282 -0.026 7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -23.428 1.181 6.441 1.00 0.00 H new ATOM 32 N SER A 3 -16.207 -0.692 9.356 1.00 0.00 N ATOM 33 CA SER A 3 -14.865 -1.249 9.375 1.00 0.00 C ATOM 34 C SER A 3 -14.179 -1.012 8.028 1.00 0.00 C ATOM 35 O SER A 3 -13.037 -0.558 7.981 1.00 0.00 O ATOM 36 CB SER A 3 -14.895 -2.744 9.700 1.00 0.00 C ATOM 37 OG SER A 3 -13.617 -3.227 10.108 1.00 0.00 O ATOM 0 H SER A 3 -16.478 -0.262 8.472 1.00 0.00 H new ATOM 0 HA SER A 3 -14.297 -0.745 10.157 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.622 -2.929 10.491 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.230 -3.299 8.824 1.00 0.00 H new ATOM 0 HG SER A 3 -13.678 -4.184 10.308 1.00 0.00 H new ATOM 42 N TYR A 4 -14.907 -1.328 6.967 1.00 0.00 N ATOM 43 CA TYR A 4 -14.383 -1.154 5.623 1.00 0.00 C ATOM 44 C TYR A 4 -12.895 -1.503 5.564 1.00 0.00 C ATOM 45 O TYR A 4 -12.045 -0.614 5.557 1.00 0.00 O ATOM 46 CB TYR A 4 -14.561 0.328 5.289 1.00 0.00 C ATOM 47 CG TYR A 4 -15.999 0.721 4.945 1.00 0.00 C ATOM 48 CD1 TYR A 4 -16.461 0.586 3.651 1.00 0.00 C ATOM 49 CD2 TYR A 4 -16.835 1.210 5.929 1.00 0.00 C ATOM 50 CE1 TYR A 4 -17.813 0.956 3.328 1.00 0.00 C ATOM 51 CE2 TYR A 4 -18.188 1.580 5.604 1.00 0.00 C ATOM 52 CZ TYR A 4 -18.611 1.435 4.321 1.00 0.00 C ATOM 53 OH TYR A 4 -19.890 1.783 4.014 1.00 0.00 O ATOM 0 H TYR A 4 -15.854 -1.703 7.011 1.00 0.00 H new ATOM 0 HA TYR A 4 -14.904 -1.806 4.922 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -14.226 0.924 6.138 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -13.915 0.580 4.448 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -15.807 0.203 2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -16.474 1.315 6.942 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -18.187 0.856 2.320 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -18.852 1.965 6.364 1.00 0.00 H new ATOM 0 HH TYR A 4 -20.343 2.107 4.820 1.00 0.00 H new ATOM 62 N GLY A 5 -12.624 -2.799 5.525 1.00 0.00 N ATOM 63 CA GLY A 5 -11.254 -3.277 5.467 1.00 0.00 C ATOM 64 C GLY A 5 -10.336 -2.413 6.334 1.00 0.00 C ATOM 65 O GLY A 5 -9.229 -2.068 5.920 1.00 0.00 O ATOM 0 H GLY A 5 -13.331 -3.534 5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.211 -4.312 5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.904 -3.264 4.435 1.00 0.00 H new ATOM 69 N ASN A 6 -10.828 -2.088 7.520 1.00 0.00 N ATOM 70 CA ASN A 6 -10.066 -1.270 8.448 1.00 0.00 C ATOM 71 C ASN A 6 -9.846 0.116 7.839 1.00 0.00 C ATOM 72 O ASN A 6 -10.098 0.324 6.653 1.00 0.00 O ATOM 73 CB ASN A 6 -8.694 -1.887 8.727 1.00 0.00 C ATOM 74 CG ASN A 6 -8.833 -3.306 9.281 1.00 0.00 C ATOM 75 OD1 ASN A 6 -9.225 -4.233 8.591 1.00 0.00 O ATOM 76 ND2 ASN A 6 -8.491 -3.425 10.560 1.00 0.00 N ATOM 0 H ASN A 6 -11.745 -2.376 7.860 1.00 0.00 H new ATOM 0 HA ASN A 6 -10.629 -1.204 9.379 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -8.107 -1.907 7.809 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -8.150 -1.266 9.439 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.549 -4.333 11.021 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -8.171 -2.608 11.080 1.00 0.00 H new ATOM 82 N GLY A 7 -9.378 1.028 8.678 1.00 0.00 N ATOM 83 CA GLY A 7 -9.121 2.389 8.236 1.00 0.00 C ATOM 84 C GLY A 7 -10.401 3.048 7.717 1.00 0.00 C ATOM 85 O GLY A 7 -10.582 3.194 6.509 1.00 0.00 O ATOM 0 H GLY A 7 -9.170 0.852 9.661 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.716 2.973 9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.366 2.383 7.450 1.00 0.00 H new ATOM 89 N VAL A 8 -11.255 3.428 8.655 1.00 0.00 N ATOM 90 CA VAL A 8 -12.513 4.068 8.307 1.00 0.00 C ATOM 91 C VAL A 8 -13.165 4.623 9.575 1.00 0.00 C ATOM 92 O VAL A 8 -13.697 5.732 9.570 1.00 0.00 O ATOM 93 CB VAL A 8 -13.410 3.084 7.555 1.00 0.00 C ATOM 94 CG1 VAL A 8 -14.887 3.353 7.850 1.00 0.00 C ATOM 95 CG2 VAL A 8 -13.133 3.129 6.052 1.00 0.00 C ATOM 0 H VAL A 8 -11.101 3.305 9.656 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.341 4.909 7.635 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.176 2.080 7.908 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.503 2.639 7.303 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.070 3.246 8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.142 4.366 7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.784 2.420 5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -13.325 4.134 5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.092 2.865 5.866 1.00 0.00 H new ATOM 105 N TYR A 9 -13.103 3.825 10.632 1.00 0.00 N ATOM 106 CA TYR A 9 -13.682 4.223 11.904 1.00 0.00 C ATOM 107 C TYR A 9 -12.668 4.997 12.749 1.00 0.00 C ATOM 108 O TYR A 9 -12.615 4.832 13.967 1.00 0.00 O ATOM 109 CB TYR A 9 -14.045 2.925 12.627 1.00 0.00 C ATOM 110 CG TYR A 9 -12.890 1.926 12.730 1.00 0.00 C ATOM 111 CD1 TYR A 9 -12.007 2.000 13.788 1.00 0.00 C ATOM 112 CD2 TYR A 9 -12.732 0.951 11.766 1.00 0.00 C ATOM 113 CE1 TYR A 9 -10.920 1.060 13.885 1.00 0.00 C ATOM 114 CE2 TYR A 9 -11.646 0.012 11.863 1.00 0.00 C ATOM 115 CZ TYR A 9 -10.793 0.112 12.918 1.00 0.00 C ATOM 116 OH TYR A 9 -9.766 -0.775 13.009 1.00 0.00 O ATOM 0 H TYR A 9 -12.661 2.906 10.633 1.00 0.00 H new ATOM 0 HA TYR A 9 -14.546 4.869 11.747 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.394 3.166 13.631 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.877 2.451 12.106 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.131 2.762 14.543 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -13.424 0.893 10.939 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.221 1.107 14.707 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -11.511 -0.755 11.115 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.800 -1.394 12.250 1.00 0.00 H new ATOM 125 N CYS A 10 -11.887 5.824 12.070 1.00 0.00 N ATOM 126 CA CYS A 10 -10.877 6.623 12.743 1.00 0.00 C ATOM 127 C CYS A 10 -11.579 7.782 13.457 1.00 0.00 C ATOM 128 O CYS A 10 -11.704 8.872 12.902 1.00 0.00 O ATOM 129 CB CYS A 10 -9.806 7.118 11.769 1.00 0.00 C ATOM 130 SG CYS A 10 -8.105 7.133 12.444 1.00 0.00 S ATOM 0 H CYS A 10 -11.933 5.958 11.060 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.353 6.010 13.476 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -9.824 6.488 10.880 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.064 8.128 11.449 1.00 0.00 H new ATOM 134 N ASN A 11 -12.017 7.505 14.676 1.00 0.00 N ATOM 135 CA ASN A 11 -12.703 8.509 15.471 1.00 0.00 C ATOM 136 C ASN A 11 -11.826 9.759 15.571 1.00 0.00 C ATOM 137 O ASN A 11 -10.782 9.843 14.926 1.00 0.00 O ATOM 138 CB ASN A 11 -12.967 8.002 16.890 1.00 0.00 C ATOM 139 CG ASN A 11 -14.455 8.094 17.237 1.00 0.00 C ATOM 140 OD1 ASN A 11 -15.280 7.336 16.754 1.00 0.00 O ATOM 141 ND2 ASN A 11 -14.749 9.063 18.099 1.00 0.00 N ATOM 0 H ASN A 11 -11.910 6.599 15.133 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.653 8.733 14.986 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.632 6.968 16.979 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.387 8.587 17.603 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -15.715 9.207 18.394 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -14.009 9.662 18.465 1.00 0.00 H new ATOM 147 N ASN A 12 -12.283 10.700 16.383 1.00 0.00 N ATOM 148 CA ASN A 12 -11.554 11.941 16.576 1.00 0.00 C ATOM 149 C ASN A 12 -10.569 11.775 17.735 1.00 0.00 C ATOM 150 O ASN A 12 -9.356 11.785 17.529 1.00 0.00 O ATOM 151 CB ASN A 12 -12.503 13.090 16.924 1.00 0.00 C ATOM 152 CG ASN A 12 -13.578 13.258 15.848 1.00 0.00 C ATOM 153 OD1 ASN A 12 -13.423 13.998 14.891 1.00 0.00 O ATOM 154 ND2 ASN A 12 -14.672 12.533 16.059 1.00 0.00 N ATOM 0 H ASN A 12 -13.150 10.628 16.915 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.033 12.172 15.647 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.975 12.898 17.888 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.937 14.016 17.025 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.448 12.576 15.398 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.736 11.934 16.882 1.00 0.00 H new ATOM 160 N LYS A 13 -11.126 11.625 18.927 1.00 0.00 N ATOM 161 CA LYS A 13 -10.311 11.457 20.118 1.00 0.00 C ATOM 162 C LYS A 13 -9.539 10.140 20.020 1.00 0.00 C ATOM 163 O LYS A 13 -8.397 10.052 20.469 1.00 0.00 O ATOM 164 CB LYS A 13 -11.173 11.572 21.377 1.00 0.00 C ATOM 165 CG LYS A 13 -12.167 10.412 21.470 1.00 0.00 C ATOM 166 CD LYS A 13 -13.545 10.905 21.917 1.00 0.00 C ATOM 167 CE LYS A 13 -13.883 10.391 23.318 1.00 0.00 C ATOM 168 NZ LYS A 13 -15.281 10.724 23.668 1.00 0.00 N ATOM 0 H LYS A 13 -12.132 11.616 19.094 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.573 12.256 20.191 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.534 11.579 22.260 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.713 12.519 21.367 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.250 9.921 20.501 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.797 9.667 22.175 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.565 11.995 21.911 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.303 10.568 21.210 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.738 9.311 23.361 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.204 10.833 24.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.494 10.368 24.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.408 11.756 23.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.925 10.282 22.982 1.00 0.00 H new ATOM 178 N LYS A 14 -10.193 9.150 19.431 1.00 0.00 N ATOM 179 CA LYS A 14 -9.581 7.842 19.268 1.00 0.00 C ATOM 180 C LYS A 14 -8.835 7.795 17.933 1.00 0.00 C ATOM 181 O LYS A 14 -7.694 8.243 17.840 1.00 0.00 O ATOM 182 CB LYS A 14 -10.628 6.737 19.426 1.00 0.00 C ATOM 183 CG LYS A 14 -11.185 6.710 20.851 1.00 0.00 C ATOM 184 CD LYS A 14 -12.487 5.909 20.916 1.00 0.00 C ATOM 185 CE LYS A 14 -13.680 6.766 20.489 1.00 0.00 C ATOM 186 NZ LYS A 14 -14.025 7.738 21.549 1.00 0.00 N ATOM 0 H LYS A 14 -11.140 9.227 19.061 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.844 7.666 20.052 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.440 6.897 18.717 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.182 5.771 19.188 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.449 6.270 21.524 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.363 7.729 21.195 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.413 5.035 20.269 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.643 5.543 21.931 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.444 7.295 19.566 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.538 6.127 20.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.479 8.571 21.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.679 7.296 22.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.160 8.032 22.045 1.00 0.00 H new ATOM 196 N CYS A 15 -9.510 7.248 16.933 1.00 0.00 N ATOM 197 CA CYS A 15 -8.925 7.137 15.607 1.00 0.00 C ATOM 198 C CYS A 15 -8.223 5.781 15.505 1.00 0.00 C ATOM 199 O CYS A 15 -8.268 5.133 14.461 1.00 0.00 O ATOM 200 CB CYS A 15 -7.972 8.297 15.310 1.00 0.00 C ATOM 201 SG CYS A 15 -7.912 8.808 13.554 1.00 0.00 S ATOM 0 H CYS A 15 -10.457 6.877 17.014 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.710 7.197 14.853 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.267 9.155 15.914 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.968 8.014 15.626 1.00 0.00 H new ATOM 205 N TRP A 16 -7.591 5.393 16.602 1.00 0.00 N ATOM 206 CA TRP A 16 -6.880 4.127 16.648 1.00 0.00 C ATOM 207 C TRP A 16 -5.694 4.215 15.687 1.00 0.00 C ATOM 208 O TRP A 16 -5.794 3.804 14.532 1.00 0.00 O ATOM 209 CB TRP A 16 -7.818 2.960 16.334 1.00 0.00 C ATOM 210 CG TRP A 16 -8.899 2.728 17.393 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.822 1.975 18.499 1.00 0.00 C ATOM 212 CD2 TRP A 16 -10.230 3.286 17.401 1.00 0.00 C ATOM 213 NE1 TRP A 16 -10.001 2.007 19.215 1.00 0.00 N ATOM 214 CE2 TRP A 16 -10.884 2.829 18.526 1.00 0.00 C ATOM 215 CE3 TRP A 16 -10.860 4.148 16.485 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -12.202 3.181 18.842 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -12.177 4.489 16.815 1.00 0.00 C ATOM 218 CH2 TRP A 16 -12.850 4.039 17.944 1.00 0.00 C ATOM 0 H TRP A 16 -7.556 5.933 17.466 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.501 3.934 17.652 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.299 3.142 15.373 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.227 2.050 16.228 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.947 1.414 18.793 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.190 1.517 20.090 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -10.367 4.517 15.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -12.693 2.811 19.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -12.708 5.149 16.144 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -13.868 4.349 18.128 1.00 0.00 H new ATOM 228 N VAL A 17 -4.597 4.754 16.199 1.00 0.00 N ATOM 229 CA VAL A 17 -3.392 4.902 15.400 1.00 0.00 C ATOM 230 C VAL A 17 -2.976 3.533 14.857 1.00 0.00 C ATOM 231 O VAL A 17 -2.613 3.410 13.687 1.00 0.00 O ATOM 232 CB VAL A 17 -2.295 5.575 16.227 1.00 0.00 C ATOM 233 CG1 VAL A 17 -1.997 4.776 17.497 1.00 0.00 C ATOM 234 CG2 VAL A 17 -1.027 5.776 15.396 1.00 0.00 C ATOM 0 H VAL A 17 -4.517 5.094 17.157 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.578 5.550 14.543 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.658 6.558 16.527 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.214 5.276 18.066 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.900 4.708 18.104 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.665 3.774 17.227 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.263 6.256 16.008 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.661 4.809 15.051 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.252 6.406 14.536 1.00 0.00 H new ATOM 244 N ASN A 18 -3.042 2.540 15.730 1.00 0.00 N ATOM 245 CA ASN A 18 -2.676 1.185 15.352 1.00 0.00 C ATOM 246 C ASN A 18 -3.506 0.190 16.167 1.00 0.00 C ATOM 247 O ASN A 18 -3.218 -0.050 17.338 1.00 0.00 O ATOM 248 CB ASN A 18 -1.198 0.913 15.639 1.00 0.00 C ATOM 249 CG ASN A 18 -0.802 1.436 17.021 1.00 0.00 C ATOM 250 OD1 ASN A 18 -1.633 1.810 17.833 1.00 0.00 O ATOM 251 ND2 ASN A 18 0.509 1.442 17.242 1.00 0.00 N ATOM 0 H ASN A 18 -3.344 2.646 16.699 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.863 1.071 14.284 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.004 -0.158 15.582 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.582 1.389 14.876 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.874 1.774 18.135 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.150 1.115 16.519 1.00 0.00 H new ATOM 257 N ARG A 19 -4.519 -0.359 15.514 1.00 0.00 N ATOM 258 CA ARG A 19 -5.392 -1.322 16.163 1.00 0.00 C ATOM 259 C ARG A 19 -4.572 -2.474 16.747 1.00 0.00 C ATOM 260 O ARG A 19 -4.644 -2.747 17.945 1.00 0.00 O ATOM 261 CB ARG A 19 -6.421 -1.884 15.180 1.00 0.00 C ATOM 262 CG ARG A 19 -7.686 -1.025 15.157 1.00 0.00 C ATOM 263 CD ARG A 19 -7.417 0.331 14.502 1.00 0.00 C ATOM 264 NE ARG A 19 -7.318 0.173 13.034 1.00 0.00 N ATOM 265 CZ ARG A 19 -7.315 1.195 12.167 1.00 0.00 C ATOM 266 NH1 ARG A 19 -7.406 2.454 12.615 1.00 0.00 N ATOM 267 NH2 ARG A 19 -7.222 0.957 10.851 1.00 0.00 N ATOM 0 H ARG A 19 -4.755 -0.156 14.543 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.918 -0.804 16.965 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.988 -1.927 14.180 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.676 -2.906 15.461 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.474 -1.546 14.612 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.047 -0.876 16.175 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.218 1.028 14.748 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.493 0.756 14.893 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.248 -0.773 12.659 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.478 2.635 13.616 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.404 3.232 11.955 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.154 -0.002 10.510 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.220 1.735 10.191 1.00 0.00 H new ATOM 278 N GLY A 20 -3.813 -3.119 15.875 1.00 0.00 N ATOM 279 CA GLY A 20 -2.980 -4.236 16.288 1.00 0.00 C ATOM 280 C GLY A 20 -2.139 -4.755 15.121 1.00 0.00 C ATOM 281 O GLY A 20 -0.919 -4.868 15.231 1.00 0.00 O ATOM 0 H GLY A 20 -3.757 -2.890 14.883 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.325 -3.924 17.102 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.608 -5.039 16.674 1.00 0.00 H new ATOM 285 N GLU A 21 -2.825 -5.059 14.028 1.00 0.00 N ATOM 286 CA GLU A 21 -2.157 -5.564 12.841 1.00 0.00 C ATOM 287 C GLU A 21 -0.976 -4.663 12.473 1.00 0.00 C ATOM 288 O GLU A 21 0.131 -5.148 12.241 1.00 0.00 O ATOM 289 CB GLU A 21 -3.135 -5.690 11.672 1.00 0.00 C ATOM 290 CG GLU A 21 -2.866 -6.962 10.866 1.00 0.00 C ATOM 291 CD GLU A 21 -3.876 -7.112 9.727 1.00 0.00 C ATOM 292 OE1 GLU A 21 -4.290 -6.108 9.128 1.00 0.00 O ATOM 293 OE2 GLU A 21 -4.230 -8.326 9.469 1.00 0.00 O ATOM 0 H GLU A 21 -3.837 -4.965 13.940 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.775 -6.561 13.060 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.158 -5.704 12.049 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.046 -4.819 11.023 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.855 -6.932 10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.920 -7.831 11.522 1.00 0.00 H new ATOM 299 N ALA A 22 -1.251 -3.368 12.432 1.00 0.00 N ATOM 300 CA ALA A 22 -0.225 -2.395 12.097 1.00 0.00 C ATOM 301 C ALA A 22 0.953 -2.549 13.060 1.00 0.00 C ATOM 302 O ALA A 22 2.107 -2.574 12.635 1.00 0.00 O ATOM 303 CB ALA A 22 -0.826 -0.988 12.130 1.00 0.00 C ATOM 0 H ALA A 22 -2.170 -2.969 12.625 1.00 0.00 H new ATOM 0 HA ALA A 22 0.151 -2.566 11.088 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.057 -0.258 11.879 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.639 -0.922 11.407 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.211 -0.780 13.128 1.00 0.00 H new ATOM 309 N THR A 23 0.621 -2.648 14.339 1.00 0.00 N ATOM 310 CA THR A 23 1.637 -2.800 15.366 1.00 0.00 C ATOM 311 C THR A 23 2.521 -4.013 15.068 1.00 0.00 C ATOM 312 O THR A 23 3.715 -3.867 14.809 1.00 0.00 O ATOM 313 CB THR A 23 0.932 -2.881 16.721 1.00 0.00 C ATOM 314 OG1 THR A 23 0.976 -1.545 17.215 1.00 0.00 O ATOM 315 CG2 THR A 23 1.730 -3.686 17.750 1.00 0.00 C ATOM 0 H THR A 23 -0.337 -2.626 14.687 1.00 0.00 H new ATOM 0 HA THR A 23 2.311 -1.943 15.384 1.00 0.00 H new ATOM 0 HB THR A 23 -0.052 -3.332 16.592 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.538 -1.506 18.091 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.185 -3.712 18.694 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.873 -4.703 17.385 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.701 -3.217 17.905 1.00 0.00 H new ATOM 323 N GLN A 24 1.900 -5.183 15.112 1.00 0.00 N ATOM 324 CA GLN A 24 2.615 -6.420 14.850 1.00 0.00 C ATOM 325 C GLN A 24 3.297 -6.358 13.482 1.00 0.00 C ATOM 326 O GLN A 24 4.370 -6.931 13.293 1.00 0.00 O ATOM 327 CB GLN A 24 1.677 -7.625 14.941 1.00 0.00 C ATOM 328 CG GLN A 24 0.510 -7.487 13.962 1.00 0.00 C ATOM 329 CD GLN A 24 -0.164 -8.839 13.718 1.00 0.00 C ATOM 330 OE1 GLN A 24 0.445 -9.791 13.259 1.00 0.00 O ATOM 331 NE2 GLN A 24 -1.452 -8.868 14.049 1.00 0.00 N ATOM 0 H GLN A 24 0.909 -5.300 15.325 1.00 0.00 H new ATOM 0 HA GLN A 24 3.384 -6.542 15.613 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.231 -8.539 14.725 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.295 -7.717 15.958 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.219 -6.779 14.357 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.870 -7.080 13.017 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.900 -8.034 14.429 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.992 -9.724 13.923 1.00 0.00 H new ATOM 338 N SER A 25 2.648 -5.660 12.563 1.00 0.00 N ATOM 339 CA SER A 25 3.179 -5.517 11.218 1.00 0.00 C ATOM 340 C SER A 25 4.630 -5.037 11.276 1.00 0.00 C ATOM 341 O SER A 25 5.049 -4.436 12.265 1.00 0.00 O ATOM 342 CB SER A 25 2.333 -4.546 10.392 1.00 0.00 C ATOM 343 OG SER A 25 1.632 -5.208 9.342 1.00 0.00 O ATOM 0 H SER A 25 1.759 -5.187 12.723 1.00 0.00 H new ATOM 0 HA SER A 25 3.144 -6.492 10.732 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.619 -4.043 11.044 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.976 -3.775 9.968 1.00 0.00 H new ATOM 0 HG SER A 25 1.102 -4.554 8.839 1.00 0.00 H new ATOM 348 N ILE A 26 5.357 -5.320 10.205 1.00 0.00 N ATOM 349 CA ILE A 26 6.753 -4.925 10.123 1.00 0.00 C ATOM 350 C ILE A 26 6.845 -3.398 10.077 1.00 0.00 C ATOM 351 O ILE A 26 7.644 -2.799 10.795 1.00 0.00 O ATOM 352 CB ILE A 26 7.438 -5.618 8.943 1.00 0.00 C ATOM 353 CG1 ILE A 26 7.410 -7.139 9.108 1.00 0.00 C ATOM 354 CG2 ILE A 26 8.860 -5.088 8.746 1.00 0.00 C ATOM 355 CD1 ILE A 26 7.561 -7.840 7.757 1.00 0.00 C ATOM 0 H ILE A 26 5.006 -5.818 9.387 1.00 0.00 H new ATOM 0 HA ILE A 26 7.294 -5.251 11.012 1.00 0.00 H new ATOM 0 HB ILE A 26 6.879 -5.383 8.037 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.214 -7.451 9.775 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.473 -7.440 9.575 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.324 -5.597 7.901 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.825 -4.016 8.549 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.445 -5.273 9.647 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.538 -8.920 7.903 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.742 -7.545 7.100 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.510 -7.555 7.304 1.00 0.00 H new ATOM 366 N ILE A 27 6.015 -2.813 9.226 1.00 0.00 N ATOM 367 CA ILE A 27 5.993 -1.368 9.077 1.00 0.00 C ATOM 368 C ILE A 27 5.797 -0.721 10.450 1.00 0.00 C ATOM 369 O ILE A 27 6.296 0.375 10.700 1.00 0.00 O ATOM 370 CB ILE A 27 4.941 -0.952 8.047 1.00 0.00 C ATOM 371 CG1 ILE A 27 3.551 -0.878 8.681 1.00 0.00 C ATOM 372 CG2 ILE A 27 4.968 -1.880 6.831 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.392 0.401 9.506 1.00 0.00 C ATOM 0 H ILE A 27 5.353 -3.313 8.633 1.00 0.00 H new ATOM 0 HA ILE A 27 6.947 -1.011 8.688 1.00 0.00 H new ATOM 0 HB ILE A 27 5.187 0.049 7.694 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.790 -0.909 7.902 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.391 -1.748 9.318 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.211 -1.563 6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.951 -1.838 6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.761 -2.902 7.149 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.395 0.429 9.946 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.139 0.417 10.299 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.528 1.269 8.861 1.00 0.00 H new ATOM 384 N GLY A 28 5.071 -1.427 11.303 1.00 0.00 N ATOM 385 CA GLY A 28 4.804 -0.935 12.645 1.00 0.00 C ATOM 386 C GLY A 28 6.071 -0.361 13.280 1.00 0.00 C ATOM 387 O GLY A 28 6.007 0.609 14.036 1.00 0.00 O ATOM 0 H GLY A 28 4.659 -2.336 11.092 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.032 -0.167 12.608 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.418 -1.745 13.263 1.00 0.00 H new ATOM 391 N GLY A 29 7.195 -0.982 12.951 1.00 0.00 N ATOM 392 CA GLY A 29 8.475 -0.543 13.480 1.00 0.00 C ATOM 393 C GLY A 29 8.930 0.754 12.809 1.00 0.00 C ATOM 394 O GLY A 29 9.405 1.670 13.479 1.00 0.00 O ATOM 0 H GLY A 29 7.245 -1.786 12.325 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.395 -0.391 14.556 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.223 -1.320 13.323 1.00 0.00 H new ATOM 398 N MET A 30 8.770 0.791 11.494 1.00 0.00 N ATOM 399 CA MET A 30 9.158 1.961 10.726 1.00 0.00 C ATOM 400 C MET A 30 8.306 3.174 11.104 1.00 0.00 C ATOM 401 O MET A 30 8.837 4.243 11.399 1.00 0.00 O ATOM 402 CB MET A 30 8.996 1.669 9.233 1.00 0.00 C ATOM 403 CG MET A 30 10.268 1.044 8.655 1.00 0.00 C ATOM 404 SD MET A 30 10.619 1.748 7.052 1.00 0.00 S ATOM 405 CE MET A 30 11.971 0.699 6.543 1.00 0.00 C ATOM 0 H MET A 30 8.377 0.029 10.941 1.00 0.00 H new ATOM 0 HA MET A 30 10.200 2.189 10.950 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.153 0.995 9.080 1.00 0.00 H new ATOM 0 HB3 MET A 30 8.766 2.592 8.701 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.107 1.217 9.329 1.00 0.00 H new ATOM 0 HG3 MET A 30 10.146 -0.036 8.569 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.315 1.003 5.554 1.00 0.00 H new ATOM 0 HE2 MET A 30 12.790 0.790 7.256 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.634 -0.337 6.508 1.00 0.00 H new ATOM 413 N ILE A 31 6.997 2.967 11.083 1.00 0.00 N ATOM 414 CA ILE A 31 6.066 4.030 11.420 1.00 0.00 C ATOM 415 C ILE A 31 6.418 4.592 12.799 1.00 0.00 C ATOM 416 O ILE A 31 6.618 5.796 12.950 1.00 0.00 O ATOM 417 CB ILE A 31 4.622 3.534 11.308 1.00 0.00 C ATOM 418 CG1 ILE A 31 3.632 4.653 11.636 1.00 0.00 C ATOM 419 CG2 ILE A 31 4.400 2.296 12.179 1.00 0.00 C ATOM 420 CD1 ILE A 31 2.190 4.143 11.574 1.00 0.00 C ATOM 0 H ILE A 31 6.560 2.079 10.838 1.00 0.00 H new ATOM 0 HA ILE A 31 6.152 4.851 10.709 1.00 0.00 H new ATOM 0 HB ILE A 31 4.440 3.237 10.275 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.840 5.048 12.631 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.761 5.476 10.933 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.367 1.963 12.082 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.070 1.499 11.856 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.605 2.542 13.221 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.506 4.957 11.811 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.978 3.771 10.571 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.058 3.337 12.295 1.00 0.00 H new ATOM 431 N SER A 32 6.482 3.693 13.770 1.00 0.00 N ATOM 432 CA SER A 32 6.806 4.084 15.131 1.00 0.00 C ATOM 433 C SER A 32 7.953 5.096 15.126 1.00 0.00 C ATOM 434 O SER A 32 7.977 6.017 15.942 1.00 0.00 O ATOM 435 CB SER A 32 7.176 2.866 15.980 1.00 0.00 C ATOM 436 OG SER A 32 7.014 3.118 17.374 1.00 0.00 O ATOM 0 H SER A 32 6.315 2.695 13.641 1.00 0.00 H new ATOM 0 HA SER A 32 5.924 4.547 15.573 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.554 2.019 15.690 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.210 2.585 15.780 1.00 0.00 H new ATOM 0 HG SER A 32 7.259 2.316 17.882 1.00 0.00 H new ATOM 441 N GLY A 33 8.876 4.892 14.199 1.00 0.00 N ATOM 442 CA GLY A 33 10.023 5.775 14.076 1.00 0.00 C ATOM 443 C GLY A 33 9.612 7.133 13.503 1.00 0.00 C ATOM 444 O GLY A 33 10.097 8.171 13.946 1.00 0.00 O ATOM 0 H GLY A 33 8.853 4.127 13.525 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.486 5.914 15.053 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.772 5.316 13.431 1.00 0.00 H new ATOM 448 N TRP A 34 8.720 7.079 12.523 1.00 0.00 N ATOM 449 CA TRP A 34 8.238 8.292 11.884 1.00 0.00 C ATOM 450 C TRP A 34 7.604 9.174 12.962 1.00 0.00 C ATOM 451 O TRP A 34 8.003 10.322 13.142 1.00 0.00 O ATOM 452 CB TRP A 34 7.278 7.963 10.740 1.00 0.00 C ATOM 453 CG TRP A 34 6.985 9.146 9.814 1.00 0.00 C ATOM 454 CD1 TRP A 34 7.861 9.983 9.242 1.00 0.00 C ATOM 455 CD2 TRP A 34 5.685 9.591 9.373 1.00 0.00 C ATOM 456 NE1 TRP A 34 7.224 10.932 8.469 1.00 0.00 N ATOM 457 CE2 TRP A 34 5.859 10.686 8.550 1.00 0.00 C ATOM 458 CE3 TRP A 34 4.404 9.085 9.658 1.00 0.00 C ATOM 459 CZ2 TRP A 34 4.795 11.368 7.947 1.00 0.00 C ATOM 460 CZ3 TRP A 34 3.352 9.778 9.048 1.00 0.00 C ATOM 461 CH2 TRP A 34 3.511 10.881 8.218 1.00 0.00 C ATOM 0 H TRP A 34 8.319 6.215 12.157 1.00 0.00 H new ATOM 0 HA TRP A 34 9.061 8.840 11.425 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.698 7.148 10.150 1.00 0.00 H new ATOM 0 HB3 TRP A 34 6.339 7.602 11.160 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.932 9.922 9.370 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.673 11.677 7.936 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.245 8.229 10.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 4.956 12.223 7.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 2.347 9.431 9.236 1.00 0.00 H new ATOM 0 HH2 TRP A 34 2.647 11.361 7.783 1.00 0.00 H new ATOM 471 N ALA A 35 6.625 8.603 13.649 1.00 0.00 N ATOM 472 CA ALA A 35 5.932 9.323 14.703 1.00 0.00 C ATOM 473 C ALA A 35 6.941 9.750 15.771 1.00 0.00 C ATOM 474 O ALA A 35 6.835 10.842 16.329 1.00 0.00 O ATOM 475 CB ALA A 35 4.816 8.445 15.273 1.00 0.00 C ATOM 0 H ALA A 35 6.296 7.650 13.496 1.00 0.00 H new ATOM 0 HA ALA A 35 5.467 10.226 14.309 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.296 8.985 16.064 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.111 8.193 14.481 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.245 7.530 15.681 1.00 0.00 H new ATOM 481 N SER A 36 7.896 8.867 16.025 1.00 0.00 N ATOM 482 CA SER A 36 8.922 9.139 17.017 1.00 0.00 C ATOM 483 C SER A 36 9.701 10.399 16.631 1.00 0.00 C ATOM 484 O SER A 36 10.098 11.176 17.498 1.00 0.00 O ATOM 485 CB SER A 36 9.875 7.951 17.164 1.00 0.00 C ATOM 486 OG SER A 36 9.656 7.240 18.379 1.00 0.00 O ATOM 0 H SER A 36 7.981 7.963 15.561 1.00 0.00 H new ATOM 0 HA SER A 36 8.434 9.300 17.978 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.745 7.275 16.319 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.905 8.306 17.132 1.00 0.00 H new ATOM 0 HG SER A 36 10.282 6.488 18.435 1.00 0.00 H new ATOM 491 N GLY A 37 9.895 10.561 15.330 1.00 0.00 N ATOM 492 CA GLY A 37 10.620 11.713 14.820 1.00 0.00 C ATOM 493 C GLY A 37 9.782 12.988 14.947 1.00 0.00 C ATOM 494 O GLY A 37 10.267 14.007 15.434 1.00 0.00 O ATOM 0 H GLY A 37 9.563 9.914 14.614 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.554 11.831 15.369 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.883 11.549 13.775 1.00 0.00 H new ATOM 498 N LEU A 38 8.539 12.887 14.499 1.00 0.00 N ATOM 499 CA LEU A 38 7.630 14.019 14.557 1.00 0.00 C ATOM 500 C LEU A 38 7.488 14.481 16.008 1.00 0.00 C ATOM 501 O LEU A 38 7.645 15.665 16.304 1.00 0.00 O ATOM 502 CB LEU A 38 6.298 13.670 13.890 1.00 0.00 C ATOM 503 CG LEU A 38 6.387 13.081 12.480 1.00 0.00 C ATOM 504 CD1 LEU A 38 5.263 12.072 12.236 1.00 0.00 C ATOM 505 CD2 LEU A 38 6.403 14.188 11.424 1.00 0.00 C ATOM 0 H LEU A 38 8.140 12.040 14.095 1.00 0.00 H new ATOM 0 HA LEU A 38 8.033 14.860 13.993 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.771 12.959 14.526 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.688 14.573 13.847 1.00 0.00 H new ATOM 0 HG LEU A 38 7.329 12.540 12.394 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.349 11.668 11.227 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.339 11.260 12.959 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.299 12.568 12.347 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.467 13.743 10.431 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.489 14.776 11.500 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.265 14.835 11.588 1.00 0.00 H new ATOM 516 N ALA A 39 7.194 13.523 16.875 1.00 0.00 N ATOM 517 CA ALA A 39 7.030 13.816 18.289 1.00 0.00 C ATOM 518 C ALA A 39 8.350 14.348 18.851 1.00 0.00 C ATOM 519 O ALA A 39 8.357 15.097 19.826 1.00 0.00 O ATOM 520 CB ALA A 39 6.548 12.562 19.018 1.00 0.00 C ATOM 0 H ALA A 39 7.065 12.542 16.625 1.00 0.00 H new ATOM 0 HA ALA A 39 6.274 14.588 18.436 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.425 12.782 20.078 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.593 12.243 18.601 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.282 11.765 18.896 1.00 0.00 H new ATOM 526 N GLY A 40 9.437 13.938 18.212 1.00 0.00 N ATOM 527 CA GLY A 40 10.759 14.363 18.637 1.00 0.00 C ATOM 528 C GLY A 40 11.018 15.820 18.250 1.00 0.00 C ATOM 529 O GLY A 40 11.884 16.103 17.424 1.00 0.00 O ATOM 0 H GLY A 40 9.428 13.316 17.404 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.852 14.248 19.717 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.514 13.722 18.182 1.00 0.00 H new ATOM 533 N MET A 41 10.251 16.708 18.867 1.00 0.00 N ATOM 534 CA MET A 41 10.385 18.129 18.597 1.00 0.00 C ATOM 535 C MET A 41 11.817 18.603 18.856 1.00 0.00 C ATOM 536 O MET A 41 12.313 19.498 18.173 1.00 0.00 O ATOM 537 CB MET A 41 9.419 18.912 19.488 1.00 0.00 C ATOM 538 CG MET A 41 8.133 19.256 18.733 1.00 0.00 C ATOM 539 SD MET A 41 7.046 20.209 19.780 1.00 0.00 S ATOM 540 CE MET A 41 6.639 21.545 18.669 1.00 0.00 C ATOM 0 H MET A 41 9.535 16.470 19.553 1.00 0.00 H new ATOM 0 HA MET A 41 10.148 18.304 17.548 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.179 18.325 20.374 1.00 0.00 H new ATOM 0 HB3 MET A 41 9.898 19.828 19.833 1.00 0.00 H new ATOM 0 HG2 MET A 41 8.371 19.821 17.832 1.00 0.00 H new ATOM 0 HG3 MET A 41 7.634 18.341 18.413 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.962 22.239 19.167 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.550 22.070 18.382 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.156 21.143 17.778 1.00 0.00 H new TER 548 MET A 41