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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 14 LYS NZ :NH3+ 174:sc= -0.141 (180deg=-0.194) USER MOD Set 2.1: A 6 ASN : amide:sc= -3.55! C(o=-3.5!,f=-3.3!) USER MOD Set 2.2: A 23 THR OG1 : rot 130: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= -0.22 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.603 K(o=-0.6,f=-1.7!) USER MOD Single : A 12 ASN :FLIP amide:sc= -2.64! C(o=-3.4!,f=-2.6!) USER MOD Single : A 18 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.046) USER MOD Single : A 24 GLN : amide:sc= -0.0758 X(o=-0.076,f=-0.032) USER MOD Single : A 25 SER OG : rot 180:sc= -0.473 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 83:sc= 0.68 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 -20.034 9.981 9.662 1.00 0.00 N ATOM 2 CA ALA A 1 -19.959 10.315 11.074 1.00 0.00 C ATOM 3 C ALA A 1 -18.712 9.669 11.681 1.00 0.00 C ATOM 4 O ALA A 1 -18.652 8.449 11.834 1.00 0.00 O ATOM 5 CB ALA A 1 -21.245 9.870 11.773 1.00 0.00 C ATOM 0 H1 ALA A 1 -20.881 10.419 9.246 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.186 10.337 9.176 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.089 8.948 9.552 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.871 11.393 11.209 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -21.189 10.121 12.832 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -22.098 10.379 11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -21.366 8.793 11.661 1.00 0.00 H new ATOM 11 N ARG A 2 -17.747 10.514 12.010 1.00 0.00 N ATOM 12 CA ARG A 2 -16.505 10.041 12.598 1.00 0.00 C ATOM 13 C ARG A 2 -15.784 9.102 11.627 1.00 0.00 C ATOM 14 O ARG A 2 -16.382 8.161 11.109 1.00 0.00 O ATOM 15 CB ARG A 2 -16.763 9.302 13.913 1.00 0.00 C ATOM 16 CG ARG A 2 -15.540 9.371 14.829 1.00 0.00 C ATOM 17 CD ARG A 2 -15.867 8.828 16.221 1.00 0.00 C ATOM 18 NE ARG A 2 -15.531 9.837 17.250 1.00 0.00 N ATOM 19 CZ ARG A 2 -16.324 10.865 17.582 1.00 0.00 C ATOM 20 NH1 ARG A 2 -17.504 11.026 16.968 1.00 0.00 N ATOM 21 NH2 ARG A 2 -15.937 11.731 18.528 1.00 0.00 N ATOM 0 H ARG A 2 -17.800 11.524 11.881 1.00 0.00 H new ATOM 0 HA ARG A 2 -15.881 10.912 12.801 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -17.625 9.739 14.417 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -17.009 8.260 13.707 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -14.722 8.797 14.394 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -15.198 10.403 14.908 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -16.925 8.573 16.282 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -15.307 7.911 16.403 1.00 0.00 H new ATOM 0 HE ARG A 2 -14.640 9.744 17.737 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -17.799 10.366 16.248 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -18.108 11.808 17.221 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -15.039 11.608 18.995 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.540 12.514 18.781 1.00 0.00 H new ATOM 32 N SER A 3 -14.508 9.391 11.413 1.00 0.00 N ATOM 33 CA SER A 3 -13.700 8.585 10.515 1.00 0.00 C ATOM 34 C SER A 3 -12.226 8.668 10.921 1.00 0.00 C ATOM 35 O SER A 3 -11.537 7.652 10.981 1.00 0.00 O ATOM 36 CB SER A 3 -13.876 9.032 9.063 1.00 0.00 C ATOM 37 OG SER A 3 -15.246 9.245 8.734 1.00 0.00 O ATOM 0 H SER A 3 -14.015 10.172 11.846 1.00 0.00 H new ATOM 0 HA SER A 3 -14.034 7.550 10.591 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.316 9.952 8.896 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.456 8.278 8.398 1.00 0.00 H new ATOM 0 HG SER A 3 -15.317 9.531 7.799 1.00 0.00 H new ATOM 42 N TYR A 4 -11.788 9.890 11.187 1.00 0.00 N ATOM 43 CA TYR A 4 -10.410 10.120 11.584 1.00 0.00 C ATOM 44 C TYR A 4 -9.437 9.499 10.578 1.00 0.00 C ATOM 45 O TYR A 4 -9.854 8.786 9.667 1.00 0.00 O ATOM 46 CB TYR A 4 -10.238 9.425 12.936 1.00 0.00 C ATOM 47 CG TYR A 4 -10.733 10.249 14.127 1.00 0.00 C ATOM 48 CD1 TYR A 4 -12.057 10.181 14.511 1.00 0.00 C ATOM 49 CD2 TYR A 4 -9.855 11.061 14.816 1.00 0.00 C ATOM 50 CE1 TYR A 4 -12.522 10.957 15.632 1.00 0.00 C ATOM 51 CE2 TYR A 4 -10.320 11.838 15.936 1.00 0.00 C ATOM 52 CZ TYR A 4 -11.631 11.747 16.289 1.00 0.00 C ATOM 53 OH TYR A 4 -12.070 12.480 17.347 1.00 0.00 O ATOM 0 H TYR A 4 -12.363 10.731 11.135 1.00 0.00 H new ATOM 0 HA TYR A 4 -10.199 11.188 11.633 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -10.774 8.476 12.916 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -9.183 9.192 13.082 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -12.744 9.546 13.971 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -8.819 11.114 14.515 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -13.555 10.912 15.944 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.644 12.478 16.483 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.325 12.996 17.720 1.00 0.00 H new ATOM 62 N GLY A 5 -8.161 9.792 10.779 1.00 0.00 N ATOM 63 CA GLY A 5 -7.127 9.272 9.901 1.00 0.00 C ATOM 64 C GLY A 5 -7.406 7.814 9.529 1.00 0.00 C ATOM 65 O GLY A 5 -7.776 7.519 8.394 1.00 0.00 O ATOM 0 H GLY A 5 -7.820 10.383 11.537 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -7.074 9.878 8.997 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.157 9.347 10.392 1.00 0.00 H new ATOM 69 N ASN A 6 -7.219 6.941 10.508 1.00 0.00 N ATOM 70 CA ASN A 6 -7.445 5.521 10.298 1.00 0.00 C ATOM 71 C ASN A 6 -7.568 4.823 11.653 1.00 0.00 C ATOM 72 O ASN A 6 -6.835 5.142 12.589 1.00 0.00 O ATOM 73 CB ASN A 6 -6.280 4.883 9.541 1.00 0.00 C ATOM 74 CG ASN A 6 -6.029 5.600 8.212 1.00 0.00 C ATOM 75 OD1 ASN A 6 -5.118 6.398 8.070 1.00 0.00 O ATOM 76 ND2 ASN A 6 -6.888 5.274 7.251 1.00 0.00 N ATOM 0 H ASN A 6 -6.913 7.190 11.449 1.00 0.00 H new ATOM 0 HA ASN A 6 -8.358 5.408 9.714 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.380 4.921 10.154 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.495 3.831 9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.806 5.700 6.328 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.629 4.598 7.437 1.00 0.00 H new ATOM 82 N GLY A 7 -8.499 3.882 11.717 1.00 0.00 N ATOM 83 CA GLY A 7 -8.726 3.136 12.943 1.00 0.00 C ATOM 84 C GLY A 7 -9.732 3.857 13.845 1.00 0.00 C ATOM 85 O GLY A 7 -9.393 4.265 14.954 1.00 0.00 O ATOM 0 H GLY A 7 -9.105 3.619 10.940 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.096 2.139 12.703 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.783 3.007 13.474 1.00 0.00 H new ATOM 89 N VAL A 8 -10.947 3.990 13.335 1.00 0.00 N ATOM 90 CA VAL A 8 -12.003 4.653 14.080 1.00 0.00 C ATOM 91 C VAL A 8 -13.357 4.077 13.660 1.00 0.00 C ATOM 92 O VAL A 8 -13.891 3.190 14.323 1.00 0.00 O ATOM 93 CB VAL A 8 -11.910 6.168 13.883 1.00 0.00 C ATOM 94 CG1 VAL A 8 -13.247 6.843 14.196 1.00 0.00 C ATOM 95 CG2 VAL A 8 -10.784 6.763 14.730 1.00 0.00 C ATOM 0 H VAL A 8 -11.224 3.650 12.414 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.890 4.470 15.149 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.676 6.357 12.835 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.155 7.919 14.048 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.017 6.450 13.532 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.523 6.641 15.231 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.740 7.840 14.571 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.975 6.559 15.784 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.834 6.314 14.440 1.00 0.00 H new ATOM 105 N TYR A 9 -13.874 4.606 12.561 1.00 0.00 N ATOM 106 CA TYR A 9 -15.156 4.156 12.043 1.00 0.00 C ATOM 107 C TYR A 9 -15.314 2.643 12.213 1.00 0.00 C ATOM 108 O TYR A 9 -16.360 2.171 12.656 1.00 0.00 O ATOM 109 CB TYR A 9 -15.149 4.492 10.551 1.00 0.00 C ATOM 110 CG TYR A 9 -13.852 4.116 9.833 1.00 0.00 C ATOM 111 CD1 TYR A 9 -12.802 5.012 9.791 1.00 0.00 C ATOM 112 CD2 TYR A 9 -13.731 2.882 9.227 1.00 0.00 C ATOM 113 CE1 TYR A 9 -11.581 4.657 9.115 1.00 0.00 C ATOM 114 CE2 TYR A 9 -12.510 2.528 8.551 1.00 0.00 C ATOM 115 CZ TYR A 9 -11.495 3.433 8.528 1.00 0.00 C ATOM 116 OH TYR A 9 -10.341 3.099 7.891 1.00 0.00 O ATOM 0 H TYR A 9 -13.428 5.343 12.014 1.00 0.00 H new ATOM 0 HA TYR A 9 -15.976 4.637 12.576 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.981 3.977 10.070 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -15.322 5.561 10.429 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.896 5.978 10.265 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -14.552 2.182 9.260 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.752 5.348 9.075 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -12.403 1.566 8.073 1.00 0.00 H new ATOM 0 HH TYR A 9 -10.422 2.196 7.520 1.00 0.00 H new ATOM 125 N CYS A 10 -14.261 1.927 11.851 1.00 0.00 N ATOM 126 CA CYS A 10 -14.269 0.477 11.957 1.00 0.00 C ATOM 127 C CYS A 10 -15.494 -0.052 11.209 1.00 0.00 C ATOM 128 O CYS A 10 -16.301 0.727 10.702 1.00 0.00 O ATOM 129 CB CYS A 10 -14.249 0.017 13.416 1.00 0.00 C ATOM 130 SG CYS A 10 -12.974 -1.235 13.808 1.00 0.00 S ATOM 0 H CYS A 10 -13.396 2.323 11.484 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.364 0.071 11.504 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.093 0.887 14.054 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -15.228 -0.391 13.667 1.00 0.00 H new ATOM 134 N ASN A 11 -15.596 -1.372 11.163 1.00 0.00 N ATOM 135 CA ASN A 11 -16.709 -2.014 10.485 1.00 0.00 C ATOM 136 C ASN A 11 -17.924 -2.035 11.415 1.00 0.00 C ATOM 137 O ASN A 11 -18.989 -1.529 11.062 1.00 0.00 O ATOM 138 CB ASN A 11 -16.370 -3.460 10.117 1.00 0.00 C ATOM 139 CG ASN A 11 -17.303 -3.980 9.022 1.00 0.00 C ATOM 140 OD1 ASN A 11 -17.759 -3.247 8.160 1.00 0.00 O ATOM 141 ND2 ASN A 11 -17.558 -5.283 9.101 1.00 0.00 N ATOM 0 H ASN A 11 -14.926 -2.015 11.585 1.00 0.00 H new ATOM 0 HA ASN A 11 -16.920 -1.451 9.576 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -15.336 -3.520 9.777 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -16.452 -4.093 11.001 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -18.168 -5.726 8.414 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -17.143 -5.839 9.849 1.00 0.00 H new ATOM 147 N ASN A 12 -17.724 -2.623 12.585 1.00 0.00 N ATOM 148 CA ASN A 12 -18.789 -2.716 13.568 1.00 0.00 C ATOM 149 C ASN A 12 -18.193 -3.092 14.926 1.00 0.00 C ATOM 150 O ASN A 12 -18.090 -2.251 15.817 1.00 0.00 O ATOM 151 CB ASN A 12 -19.803 -3.795 13.181 1.00 0.00 C ATOM 152 CG ASN A 12 -20.683 -3.330 12.020 1.00 0.00 C ATOM 153 OD1 ASN A 12 -20.288 -3.774 10.830 1.00 0.00 O flip ATOM 154 ND2 ASN A 12 -21.656 -2.614 12.193 1.00 0.00 N flip ATOM 0 H ASN A 12 -16.839 -3.040 12.874 1.00 0.00 H new ATOM 0 HA ASN A 12 -19.291 -1.749 13.614 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -19.278 -4.708 12.901 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -20.428 -4.037 14.041 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -21.904 -2.309 13.134 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -22.221 -2.321 11.396 1.00 0.00 H new ATOM 160 N LYS A 13 -17.815 -4.358 15.041 1.00 0.00 N ATOM 161 CA LYS A 13 -17.233 -4.856 16.275 1.00 0.00 C ATOM 162 C LYS A 13 -15.708 -4.750 16.192 1.00 0.00 C ATOM 163 O LYS A 13 -15.042 -4.521 17.201 1.00 0.00 O ATOM 164 CB LYS A 13 -17.736 -6.269 16.573 1.00 0.00 C ATOM 165 CG LYS A 13 -17.322 -7.243 15.469 1.00 0.00 C ATOM 166 CD LYS A 13 -18.465 -7.464 14.476 1.00 0.00 C ATOM 167 CE LYS A 13 -17.927 -7.768 13.077 1.00 0.00 C ATOM 168 NZ LYS A 13 -17.860 -9.229 12.853 1.00 0.00 N ATOM 0 H LYS A 13 -17.901 -5.053 14.299 1.00 0.00 H new ATOM 0 HA LYS A 13 -17.551 -4.246 17.120 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -17.337 -6.607 17.529 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.822 -6.260 16.666 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.450 -6.854 14.944 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.030 -8.196 15.910 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -19.091 -8.289 14.815 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -19.097 -6.577 14.441 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.570 -7.308 12.326 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.936 -7.330 12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.493 -9.417 11.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.229 -9.660 13.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.812 -9.638 12.945 1.00 0.00 H new ATOM 178 N LYS A 14 -15.200 -4.922 14.982 1.00 0.00 N ATOM 179 CA LYS A 14 -13.766 -4.850 14.754 1.00 0.00 C ATOM 180 C LYS A 14 -13.501 -4.167 13.410 1.00 0.00 C ATOM 181 O LYS A 14 -14.437 -3.836 12.683 1.00 0.00 O ATOM 182 CB LYS A 14 -13.134 -6.238 14.873 1.00 0.00 C ATOM 183 CG LYS A 14 -13.769 -7.217 13.884 1.00 0.00 C ATOM 184 CD LYS A 14 -13.076 -7.148 12.522 1.00 0.00 C ATOM 185 CE LYS A 14 -14.100 -7.114 11.385 1.00 0.00 C ATOM 186 NZ LYS A 14 -14.899 -8.360 11.371 1.00 0.00 N ATOM 0 H LYS A 14 -15.755 -5.111 14.148 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.289 -4.241 15.522 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.062 -6.171 14.686 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.257 -6.612 15.890 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.704 -8.231 14.278 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.828 -6.987 13.769 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.446 -6.260 12.475 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.420 -8.010 12.400 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.758 -6.254 11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.588 -6.992 10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.655 -8.280 10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.284 -9.164 11.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.320 -8.513 12.309 1.00 0.00 H new ATOM 196 N CYS A 15 -12.222 -3.975 13.123 1.00 0.00 N ATOM 197 CA CYS A 15 -11.822 -3.337 11.880 1.00 0.00 C ATOM 198 C CYS A 15 -11.385 -4.426 10.900 1.00 0.00 C ATOM 199 O CYS A 15 -12.221 -5.067 10.264 1.00 0.00 O ATOM 200 CB CYS A 15 -10.723 -2.297 12.106 1.00 0.00 C ATOM 201 SG CYS A 15 -11.295 -0.723 12.846 1.00 0.00 S ATOM 0 H CYS A 15 -11.449 -4.250 13.729 1.00 0.00 H new ATOM 0 HA CYS A 15 -12.667 -2.791 11.461 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.960 -2.730 12.753 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.245 -2.080 11.150 1.00 0.00 H new ATOM 205 N TRP A 16 -10.075 -4.604 10.808 1.00 0.00 N ATOM 206 CA TRP A 16 -9.516 -5.604 9.916 1.00 0.00 C ATOM 207 C TRP A 16 -8.007 -5.368 9.826 1.00 0.00 C ATOM 208 O TRP A 16 -7.565 -4.282 9.454 1.00 0.00 O ATOM 209 CB TRP A 16 -10.207 -5.571 8.552 1.00 0.00 C ATOM 210 CG TRP A 16 -10.544 -4.162 8.059 1.00 0.00 C ATOM 211 CD1 TRP A 16 -9.697 -3.171 7.750 1.00 0.00 C ATOM 212 CD2 TRP A 16 -11.864 -3.624 7.830 1.00 0.00 C ATOM 213 NE1 TRP A 16 -10.371 -2.038 7.340 1.00 0.00 N ATOM 214 CE2 TRP A 16 -11.730 -2.323 7.390 1.00 0.00 C ATOM 215 CE3 TRP A 16 -13.128 -4.218 7.988 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -12.822 -1.505 7.073 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -14.208 -3.387 7.667 1.00 0.00 C ATOM 218 CH2 TRP A 16 -14.091 -2.075 7.223 1.00 0.00 C ATOM 0 H TRP A 16 -9.385 -4.072 11.337 1.00 0.00 H new ATOM 0 HA TRP A 16 -9.689 -6.607 10.306 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -9.564 -6.057 7.819 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -11.126 -6.155 8.607 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.622 -3.249 7.814 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.949 -1.155 7.053 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -13.256 -5.234 8.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -12.691 -0.489 6.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -15.203 -3.794 7.772 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -14.975 -1.498 6.995 1.00 0.00 H new ATOM 228 N VAL A 17 -7.257 -6.404 10.174 1.00 0.00 N ATOM 229 CA VAL A 17 -5.806 -6.323 10.139 1.00 0.00 C ATOM 230 C VAL A 17 -5.351 -5.071 10.891 1.00 0.00 C ATOM 231 O VAL A 17 -6.177 -4.301 11.379 1.00 0.00 O ATOM 232 CB VAL A 17 -5.316 -6.361 8.690 1.00 0.00 C ATOM 233 CG1 VAL A 17 -5.573 -5.026 7.989 1.00 0.00 C ATOM 234 CG2 VAL A 17 -3.835 -6.740 8.622 1.00 0.00 C ATOM 0 H VAL A 17 -7.627 -7.304 10.481 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.363 -7.183 10.642 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.883 -7.130 8.165 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.215 -5.080 6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.642 -4.814 7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.045 -4.231 8.515 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.512 -6.760 7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.246 -6.005 9.171 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.691 -7.725 9.065 1.00 0.00 H new ATOM 244 N ASN A 18 -4.038 -4.907 10.962 1.00 0.00 N ATOM 245 CA ASN A 18 -3.463 -3.761 11.647 1.00 0.00 C ATOM 246 C ASN A 18 -3.978 -2.474 11.000 1.00 0.00 C ATOM 247 O ASN A 18 -3.469 -2.049 9.964 1.00 0.00 O ATOM 248 CB ASN A 18 -1.937 -3.766 11.541 1.00 0.00 C ATOM 249 CG ASN A 18 -1.330 -4.882 12.394 1.00 0.00 C ATOM 250 OD1 ASN A 18 -1.289 -6.038 12.010 1.00 0.00 O ATOM 251 ND2 ASN A 18 -0.865 -4.470 13.570 1.00 0.00 N ATOM 0 H ASN A 18 -3.356 -5.548 10.557 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.752 -3.815 12.697 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.642 -3.898 10.500 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.544 -2.802 11.864 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.442 -5.139 14.214 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.932 -3.485 13.828 1.00 0.00 H new ATOM 257 N ARG A 19 -4.982 -1.890 11.639 1.00 0.00 N ATOM 258 CA ARG A 19 -5.571 -0.660 11.138 1.00 0.00 C ATOM 259 C ARG A 19 -4.867 0.553 11.749 1.00 0.00 C ATOM 260 O ARG A 19 -5.375 1.672 11.677 1.00 0.00 O ATOM 261 CB ARG A 19 -7.065 -0.592 11.466 1.00 0.00 C ATOM 262 CG ARG A 19 -7.895 -1.285 10.383 1.00 0.00 C ATOM 263 CD ARG A 19 -9.053 -0.395 9.928 1.00 0.00 C ATOM 264 NE ARG A 19 -8.530 0.798 9.223 1.00 0.00 N ATOM 265 CZ ARG A 19 -7.943 0.761 8.020 1.00 0.00 C ATOM 266 NH1 ARG A 19 -7.801 -0.406 7.378 1.00 0.00 N ATOM 267 NH2 ARG A 19 -7.498 1.893 7.458 1.00 0.00 N ATOM 0 H ARG A 19 -5.402 -2.246 12.498 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.447 -0.650 10.055 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.251 -1.065 12.430 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.374 0.449 11.556 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.260 -1.525 9.531 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.285 -2.228 10.766 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.716 -0.956 9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.646 -0.087 10.789 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.623 1.704 9.682 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.140 -1.268 7.805 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.354 -0.433 6.462 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.606 2.782 7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.051 1.866 6.542 1.00 0.00 H new ATOM 278 N GLY A 20 -3.708 0.291 12.336 1.00 0.00 N ATOM 279 CA GLY A 20 -2.929 1.348 12.959 1.00 0.00 C ATOM 280 C GLY A 20 -1.463 1.272 12.531 1.00 0.00 C ATOM 281 O GLY A 20 -0.957 2.177 11.868 1.00 0.00 O ATOM 0 H GLY A 20 -3.290 -0.638 12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.342 2.319 12.685 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.000 1.266 14.044 1.00 0.00 H new ATOM 285 N GLU A 21 -0.819 0.184 12.929 1.00 0.00 N ATOM 286 CA GLU A 21 0.581 -0.021 12.595 1.00 0.00 C ATOM 287 C GLU A 21 0.804 0.185 11.095 1.00 0.00 C ATOM 288 O GLU A 21 1.793 0.794 10.690 1.00 0.00 O ATOM 289 CB GLU A 21 1.050 -1.410 13.033 1.00 0.00 C ATOM 290 CG GLU A 21 0.769 -1.641 14.519 1.00 0.00 C ATOM 291 CD GLU A 21 1.261 -0.461 15.359 1.00 0.00 C ATOM 292 OE1 GLU A 21 2.306 0.130 15.048 1.00 0.00 O ATOM 293 OE2 GLU A 21 0.515 -0.162 16.369 1.00 0.00 O ATOM 0 H GLU A 21 -1.240 -0.564 13.479 1.00 0.00 H new ATOM 0 HA GLU A 21 1.176 0.715 13.136 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.543 -2.172 12.441 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.118 -1.514 12.841 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.301 -1.781 14.673 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.261 -2.556 14.848 1.00 0.00 H new ATOM 299 N ALA A 22 -0.131 -0.332 10.313 1.00 0.00 N ATOM 300 CA ALA A 22 -0.048 -0.212 8.867 1.00 0.00 C ATOM 301 C ALA A 22 0.074 1.265 8.489 1.00 0.00 C ATOM 302 O ALA A 22 0.946 1.640 7.707 1.00 0.00 O ATOM 303 CB ALA A 22 -1.267 -0.880 8.228 1.00 0.00 C ATOM 0 H ALA A 22 -0.951 -0.835 10.653 1.00 0.00 H new ATOM 0 HA ALA A 22 0.838 -0.723 8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.205 -0.790 7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.290 -1.934 8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.176 -0.392 8.581 1.00 0.00 H new ATOM 309 N THR A 23 -0.815 2.065 9.061 1.00 0.00 N ATOM 310 CA THR A 23 -0.818 3.493 8.794 1.00 0.00 C ATOM 311 C THR A 23 0.522 4.113 9.192 1.00 0.00 C ATOM 312 O THR A 23 1.043 4.979 8.490 1.00 0.00 O ATOM 313 CB THR A 23 -2.014 4.108 9.524 1.00 0.00 C ATOM 314 OG1 THR A 23 -3.093 3.967 8.605 1.00 0.00 O ATOM 315 CG2 THR A 23 -1.874 5.621 9.707 1.00 0.00 C ATOM 0 H THR A 23 -1.538 1.751 9.708 1.00 0.00 H new ATOM 0 HA THR A 23 -0.930 3.696 7.729 1.00 0.00 H new ATOM 0 HB THR A 23 -2.126 3.634 10.499 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.860 3.562 9.061 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.749 6.007 10.230 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.979 5.836 10.290 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.795 6.100 8.731 1.00 0.00 H new ATOM 323 N GLN A 24 1.043 3.646 10.318 1.00 0.00 N ATOM 324 CA GLN A 24 2.312 4.145 10.818 1.00 0.00 C ATOM 325 C GLN A 24 3.440 3.793 9.846 1.00 0.00 C ATOM 326 O GLN A 24 3.931 4.657 9.121 1.00 0.00 O ATOM 327 CB GLN A 24 2.604 3.597 12.217 1.00 0.00 C ATOM 328 CG GLN A 24 1.448 3.897 13.174 1.00 0.00 C ATOM 329 CD GLN A 24 1.414 5.381 13.546 1.00 0.00 C ATOM 330 OE1 GLN A 24 2.154 5.852 14.393 1.00 0.00 O ATOM 331 NE2 GLN A 24 0.516 6.088 12.866 1.00 0.00 N ATOM 0 H GLN A 24 0.609 2.928 10.897 1.00 0.00 H new ATOM 0 HA GLN A 24 2.249 5.230 10.894 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.767 2.521 12.163 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.523 4.040 12.601 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.504 3.613 12.709 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.553 3.295 14.076 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.072 5.630 12.170 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.416 7.088 13.041 1.00 0.00 H new ATOM 338 N SER A 25 3.819 2.523 9.863 1.00 0.00 N ATOM 339 CA SER A 25 4.880 2.047 8.992 1.00 0.00 C ATOM 340 C SER A 25 4.751 0.537 8.789 1.00 0.00 C ATOM 341 O SER A 25 3.937 -0.114 9.442 1.00 0.00 O ATOM 342 CB SER A 25 6.257 2.390 9.563 1.00 0.00 C ATOM 343 OG SER A 25 7.312 1.879 8.755 1.00 0.00 O ATOM 0 H SER A 25 3.410 1.809 10.466 1.00 0.00 H new ATOM 0 HA SER A 25 4.782 2.547 8.028 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.356 3.472 9.646 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.343 1.984 10.571 1.00 0.00 H new ATOM 0 HG SER A 25 8.175 2.121 9.152 1.00 0.00 H new ATOM 348 N ILE A 26 5.566 0.022 7.878 1.00 0.00 N ATOM 349 CA ILE A 26 5.554 -1.400 7.581 1.00 0.00 C ATOM 350 C ILE A 26 5.772 -2.189 8.874 1.00 0.00 C ATOM 351 O ILE A 26 5.098 -3.189 9.115 1.00 0.00 O ATOM 352 CB ILE A 26 6.568 -1.726 6.483 1.00 0.00 C ATOM 353 CG1 ILE A 26 7.884 -0.981 6.714 1.00 0.00 C ATOM 354 CG2 ILE A 26 5.984 -1.443 5.097 1.00 0.00 C ATOM 355 CD1 ILE A 26 9.071 -1.948 6.696 1.00 0.00 C ATOM 0 H ILE A 26 6.239 0.565 7.336 1.00 0.00 H new ATOM 0 HA ILE A 26 4.583 -1.698 7.185 1.00 0.00 H new ATOM 0 HB ILE A 26 6.790 -2.792 6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.017 -0.222 5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.849 -0.461 7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.725 -1.683 4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.095 -2.055 4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.716 -0.389 5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.995 -1.394 6.862 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.947 -2.691 7.484 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.118 -2.449 5.729 1.00 0.00 H new ATOM 366 N ILE A 27 6.716 -1.709 9.670 1.00 0.00 N ATOM 367 CA ILE A 27 7.031 -2.358 10.931 1.00 0.00 C ATOM 368 C ILE A 27 6.046 -1.887 12.002 1.00 0.00 C ATOM 369 O ILE A 27 5.643 -2.666 12.866 1.00 0.00 O ATOM 370 CB ILE A 27 8.498 -2.126 11.301 1.00 0.00 C ATOM 371 CG1 ILE A 27 9.359 -1.952 10.048 1.00 0.00 C ATOM 372 CG2 ILE A 27 9.020 -3.246 12.204 1.00 0.00 C ATOM 373 CD1 ILE A 27 9.643 -0.473 9.779 1.00 0.00 C ATOM 0 H ILE A 27 7.273 -0.879 9.466 1.00 0.00 H new ATOM 0 HA ILE A 27 6.915 -3.438 10.843 1.00 0.00 H new ATOM 0 HB ILE A 27 8.564 -1.198 11.869 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.299 -2.490 10.171 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.851 -2.390 9.189 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.064 -3.057 12.452 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.430 -3.280 13.120 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.938 -4.201 11.684 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.257 -0.377 8.883 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.702 0.057 9.633 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.173 -0.044 10.629 1.00 0.00 H new ATOM 384 N GLY A 28 5.685 -0.616 11.911 1.00 0.00 N ATOM 385 CA GLY A 28 4.753 -0.032 12.862 1.00 0.00 C ATOM 386 C GLY A 28 5.460 0.334 14.167 1.00 0.00 C ATOM 387 O GLY A 28 5.327 1.454 14.657 1.00 0.00 O ATOM 0 H GLY A 28 6.021 0.027 11.193 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.296 0.858 12.429 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.947 -0.737 13.066 1.00 0.00 H new ATOM 391 N GLY A 29 6.196 -0.633 14.696 1.00 0.00 N ATOM 392 CA GLY A 29 6.924 -0.426 15.936 1.00 0.00 C ATOM 393 C GLY A 29 8.156 0.452 15.708 1.00 0.00 C ATOM 394 O GLY A 29 8.442 1.345 16.505 1.00 0.00 O ATOM 0 H GLY A 29 6.304 -1.562 14.288 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.270 0.042 16.672 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.230 -1.388 16.347 1.00 0.00 H new ATOM 398 N MET A 30 8.853 0.169 14.618 1.00 0.00 N ATOM 399 CA MET A 30 10.047 0.923 14.276 1.00 0.00 C ATOM 400 C MET A 30 9.743 2.419 14.182 1.00 0.00 C ATOM 401 O MET A 30 10.407 3.233 14.821 1.00 0.00 O ATOM 402 CB MET A 30 10.597 0.428 12.936 1.00 0.00 C ATOM 403 CG MET A 30 11.286 -0.928 13.094 1.00 0.00 C ATOM 404 SD MET A 30 13.018 -0.694 13.463 1.00 0.00 S ATOM 405 CE MET A 30 13.614 -2.360 13.221 1.00 0.00 C ATOM 0 H MET A 30 8.614 -0.572 13.960 1.00 0.00 H new ATOM 0 HA MET A 30 10.787 0.771 15.061 1.00 0.00 H new ATOM 0 HB2 MET A 30 9.785 0.345 12.214 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.305 1.155 12.538 1.00 0.00 H new ATOM 0 HG2 MET A 30 10.809 -1.497 13.892 1.00 0.00 H new ATOM 0 HG3 MET A 30 11.176 -1.510 12.179 1.00 0.00 H new ATOM 0 HE1 MET A 30 14.687 -2.394 13.412 1.00 0.00 H new ATOM 0 HE2 MET A 30 13.102 -3.033 13.908 1.00 0.00 H new ATOM 0 HE3 MET A 30 13.418 -2.671 12.195 1.00 0.00 H new ATOM 413 N ILE A 31 8.738 2.737 13.379 1.00 0.00 N ATOM 414 CA ILE A 31 8.338 4.121 13.193 1.00 0.00 C ATOM 415 C ILE A 31 8.044 4.751 14.556 1.00 0.00 C ATOM 416 O ILE A 31 8.613 5.786 14.901 1.00 0.00 O ATOM 417 CB ILE A 31 7.169 4.213 12.209 1.00 0.00 C ATOM 418 CG1 ILE A 31 6.777 5.671 11.960 1.00 0.00 C ATOM 419 CG2 ILE A 31 5.983 3.374 12.687 1.00 0.00 C ATOM 420 CD1 ILE A 31 5.568 5.761 11.025 1.00 0.00 C ATOM 0 H ILE A 31 8.189 2.060 12.850 1.00 0.00 H new ATOM 0 HA ILE A 31 9.149 4.694 12.745 1.00 0.00 H new ATOM 0 HB ILE A 31 7.492 3.798 11.254 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.545 6.156 12.908 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.619 6.209 11.524 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.166 3.457 11.970 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.286 2.331 12.772 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.650 3.736 13.660 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.310 6.808 10.864 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.812 5.296 10.070 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.721 5.243 11.475 1.00 0.00 H new ATOM 431 N SER A 32 7.159 4.099 15.295 1.00 0.00 N ATOM 432 CA SER A 32 6.783 4.582 16.613 1.00 0.00 C ATOM 433 C SER A 32 8.028 5.035 17.378 1.00 0.00 C ATOM 434 O SER A 32 7.971 5.986 18.157 1.00 0.00 O ATOM 435 CB SER A 32 6.038 3.504 17.403 1.00 0.00 C ATOM 436 OG SER A 32 4.741 3.252 16.868 1.00 0.00 O ATOM 0 H SER A 32 6.691 3.240 15.006 1.00 0.00 H new ATOM 0 HA SER A 32 6.112 5.431 16.488 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.619 2.582 17.395 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.947 3.815 18.444 1.00 0.00 H new ATOM 0 HG SER A 32 4.814 2.634 16.111 1.00 0.00 H new ATOM 441 N GLY A 33 9.124 4.333 17.131 1.00 0.00 N ATOM 442 CA GLY A 33 10.381 4.651 17.787 1.00 0.00 C ATOM 443 C GLY A 33 10.979 5.944 17.228 1.00 0.00 C ATOM 444 O GLY A 33 11.508 6.763 17.979 1.00 0.00 O ATOM 0 H GLY A 33 9.168 3.545 16.485 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.219 4.755 18.860 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.085 3.831 17.649 1.00 0.00 H new ATOM 448 N TRP A 34 10.876 6.087 15.915 1.00 0.00 N ATOM 449 CA TRP A 34 11.400 7.266 15.247 1.00 0.00 C ATOM 450 C TRP A 34 10.710 8.494 15.845 1.00 0.00 C ATOM 451 O TRP A 34 11.375 9.427 16.291 1.00 0.00 O ATOM 452 CB TRP A 34 11.225 7.162 13.731 1.00 0.00 C ATOM 453 CG TRP A 34 12.007 8.211 12.940 1.00 0.00 C ATOM 454 CD1 TRP A 34 13.299 8.545 13.066 1.00 0.00 C ATOM 455 CD2 TRP A 34 11.493 9.055 11.888 1.00 0.00 C ATOM 456 NE1 TRP A 34 13.652 9.539 12.177 1.00 0.00 N ATOM 457 CE2 TRP A 34 12.519 9.858 11.437 1.00 0.00 C ATOM 458 CE3 TRP A 34 10.202 9.135 11.336 1.00 0.00 C ATOM 459 CZ2 TRP A 34 12.362 10.801 10.414 1.00 0.00 C ATOM 460 CZ3 TRP A 34 10.061 10.083 10.315 1.00 0.00 C ATOM 461 CH2 TRP A 34 11.085 10.899 9.849 1.00 0.00 C ATOM 0 H TRP A 34 10.437 5.406 15.296 1.00 0.00 H new ATOM 0 HA TRP A 34 12.474 7.355 15.410 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.538 6.170 13.407 1.00 0.00 H new ATOM 0 HB3 TRP A 34 10.166 7.256 13.491 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.978 8.093 13.774 1.00 0.00 H new ATOM 0 HE1 TRP A 34 14.575 9.962 12.080 1.00 0.00 H new ATOM 0 HE3 TRP A 34 9.384 8.515 11.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 13.182 11.419 10.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 9.088 10.187 9.858 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.896 11.606 9.054 1.00 0.00 H new ATOM 471 N ALA A 35 9.387 8.453 15.836 1.00 0.00 N ATOM 472 CA ALA A 35 8.600 9.550 16.372 1.00 0.00 C ATOM 473 C ALA A 35 8.909 9.713 17.862 1.00 0.00 C ATOM 474 O ALA A 35 8.963 10.833 18.370 1.00 0.00 O ATOM 475 CB ALA A 35 7.115 9.291 16.110 1.00 0.00 C ATOM 0 H ALA A 35 8.839 7.676 15.466 1.00 0.00 H new ATOM 0 HA ALA A 35 8.859 10.485 15.876 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.525 10.115 16.513 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.943 9.213 15.036 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.817 8.361 16.594 1.00 0.00 H new ATOM 481 N SER A 36 9.102 8.580 18.521 1.00 0.00 N ATOM 482 CA SER A 36 9.403 8.583 19.942 1.00 0.00 C ATOM 483 C SER A 36 10.675 9.392 20.206 1.00 0.00 C ATOM 484 O SER A 36 10.774 10.089 21.215 1.00 0.00 O ATOM 485 CB SER A 36 9.562 7.158 20.475 1.00 0.00 C ATOM 486 OG SER A 36 8.553 6.829 21.426 1.00 0.00 O ATOM 0 H SER A 36 9.056 7.654 18.097 1.00 0.00 H new ATOM 0 HA SER A 36 8.568 9.048 20.467 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.521 6.453 19.644 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.544 7.051 20.936 1.00 0.00 H new ATOM 0 HG SER A 36 8.688 5.911 21.741 1.00 0.00 H new ATOM 491 N GLY A 37 11.617 9.273 19.282 1.00 0.00 N ATOM 492 CA GLY A 37 12.878 9.985 19.401 1.00 0.00 C ATOM 493 C GLY A 37 12.697 11.474 19.105 1.00 0.00 C ATOM 494 O GLY A 37 13.134 12.322 19.882 1.00 0.00 O ATOM 0 H GLY A 37 11.532 8.694 18.447 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.279 9.857 20.407 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.606 9.559 18.711 1.00 0.00 H new ATOM 498 N LEU A 38 12.051 11.749 17.982 1.00 0.00 N ATOM 499 CA LEU A 38 11.806 13.122 17.575 1.00 0.00 C ATOM 500 C LEU A 38 11.077 13.860 18.699 1.00 0.00 C ATOM 501 O LEU A 38 11.492 14.944 19.105 1.00 0.00 O ATOM 502 CB LEU A 38 11.070 13.161 16.234 1.00 0.00 C ATOM 503 CG LEU A 38 11.705 12.357 15.097 1.00 0.00 C ATOM 504 CD1 LEU A 38 10.635 11.794 14.159 1.00 0.00 C ATOM 505 CD2 LEU A 38 12.742 13.196 14.346 1.00 0.00 C ATOM 0 H LEU A 38 11.689 11.043 17.340 1.00 0.00 H new ATOM 0 HA LEU A 38 12.748 13.644 17.409 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.055 12.795 16.388 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.989 14.201 15.916 1.00 0.00 H new ATOM 0 HG LEU A 38 12.231 11.507 15.532 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.113 11.227 13.360 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.968 11.139 14.720 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.061 12.614 13.728 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.178 12.602 13.543 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.260 14.078 13.924 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.527 13.507 15.035 1.00 0.00 H new ATOM 516 N ALA A 39 10.002 13.244 19.168 1.00 0.00 N ATOM 517 CA ALA A 39 9.211 13.828 20.237 1.00 0.00 C ATOM 518 C ALA A 39 10.054 13.898 21.511 1.00 0.00 C ATOM 519 O ALA A 39 9.806 14.732 22.380 1.00 0.00 O ATOM 520 CB ALA A 39 7.930 13.014 20.429 1.00 0.00 C ATOM 0 H ALA A 39 9.660 12.346 18.827 1.00 0.00 H new ATOM 0 HA ALA A 39 8.915 14.846 19.982 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.337 13.453 21.231 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.352 13.022 19.505 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.187 11.987 20.688 1.00 0.00 H new ATOM 526 N GLY A 40 11.035 13.010 21.582 1.00 0.00 N ATOM 527 CA GLY A 40 11.917 12.960 22.736 1.00 0.00 C ATOM 528 C GLY A 40 12.916 14.118 22.712 1.00 0.00 C ATOM 529 O GLY A 40 14.122 13.900 22.600 1.00 0.00 O ATOM 0 H GLY A 40 11.238 12.320 20.859 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.327 13.003 23.651 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.454 12.012 22.747 1.00 0.00 H new ATOM 533 N MET A 41 12.380 15.324 22.819 1.00 0.00 N ATOM 534 CA MET A 41 13.209 16.517 22.812 1.00 0.00 C ATOM 535 C MET A 41 14.039 16.599 21.530 1.00 0.00 C ATOM 536 O MET A 41 14.774 17.563 21.322 1.00 0.00 O ATOM 537 CB MET A 41 14.143 16.496 24.023 1.00 0.00 C ATOM 538 CG MET A 41 13.606 17.389 25.145 1.00 0.00 C ATOM 539 SD MET A 41 14.960 18.048 26.103 1.00 0.00 S ATOM 540 CE MET A 41 14.052 19.001 27.309 1.00 0.00 C ATOM 0 H MET A 41 11.380 15.501 22.911 1.00 0.00 H new ATOM 0 HA MET A 41 12.558 17.390 22.859 1.00 0.00 H new ATOM 0 HB2 MET A 41 14.250 15.474 24.386 1.00 0.00 H new ATOM 0 HB3 MET A 41 15.136 16.835 23.727 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.018 18.204 24.722 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.939 16.816 25.789 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.751 19.484 27.992 1.00 0.00 H new ATOM 0 HE2 MET A 41 13.459 19.761 26.800 1.00 0.00 H new ATOM 0 HE3 MET A 41 13.392 18.341 27.872 1.00 0.00 H new TER 548 MET A 41