USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 248 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 ASN : amide:sc= -1.59 K(o=-1.7,f=-2.4) USER MOD Set 1.2: A 14 LYS NZ :NH3+ -161:sc= -0.0677 (180deg=-0.489) USER MOD Set 2.1: A 6 ASN : amide:sc= -0.503 K(o=1.7,f=-5.3!) USER MOD Set 2.2: A 9 TYR OH : rot 128:sc= 2.19 USER MOD Single : A 1 ALA N :NH3+ 177:sc= -0.0298 (180deg=-0.0628) USER MOD Single : A 3 SER OG : rot 43:sc= 0.278 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -4.3! C(o=-4.3!,f=-3.1!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.507 K(o=-0.51,f=-5!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.98) USER MOD Single : A 25 SER OG : rot 67:sc= 0.0799 USER MOD Single : A 30 MET CE :methyl -123:sc= -0.274 (180deg=-2.97) 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 -23.539 3.367 13.968 1.00 0.00 N ATOM 2 CA ALA A 1 -22.384 3.274 14.845 1.00 0.00 C ATOM 3 C ALA A 1 -21.444 2.184 14.328 1.00 0.00 C ATOM 4 O ALA A 1 -20.320 2.472 13.917 1.00 0.00 O ATOM 5 CB ALA A 1 -22.851 3.009 16.278 1.00 0.00 C ATOM 0 H1 ALA A 1 -24.205 4.072 14.344 1.00 0.00 H new ATOM 0 H2 ALA A 1 -23.231 3.655 13.017 1.00 0.00 H new ATOM 0 H3 ALA A 1 -24.009 2.441 13.914 1.00 0.00 H new ATOM 0 HA ALA A 1 -21.830 4.213 14.851 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -21.985 2.939 16.936 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -23.493 3.826 16.608 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -23.409 2.073 16.312 1.00 0.00 H new ATOM 11 N ARG A 2 -21.937 0.955 14.365 1.00 0.00 N ATOM 12 CA ARG A 2 -21.153 -0.180 13.905 1.00 0.00 C ATOM 13 C ARG A 2 -19.690 -0.020 14.326 1.00 0.00 C ATOM 14 O ARG A 2 -19.384 0.739 15.243 1.00 0.00 O ATOM 15 CB ARG A 2 -21.227 -0.319 12.383 1.00 0.00 C ATOM 16 CG ARG A 2 -20.482 0.824 11.692 1.00 0.00 C ATOM 17 CD ARG A 2 -21.419 2.001 11.415 1.00 0.00 C ATOM 18 NE ARG A 2 -20.691 3.278 11.586 1.00 0.00 N ATOM 19 CZ ARG A 2 -19.948 3.854 10.630 1.00 0.00 C ATOM 20 NH1 ARG A 2 -19.833 3.269 9.430 1.00 0.00 N ATOM 21 NH2 ARG A 2 -19.323 5.013 10.873 1.00 0.00 N ATOM 0 H ARG A 2 -22.869 0.720 14.706 1.00 0.00 H new ATOM 0 HA ARG A 2 -21.569 -1.078 14.361 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -20.797 -1.274 12.080 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -22.270 -0.323 12.065 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -19.653 1.154 12.319 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -20.052 0.469 10.756 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -21.814 1.931 10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -22.272 1.965 12.093 1.00 0.00 H new ATOM 0 HE ARG A 2 -20.759 3.750 12.488 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -20.310 2.387 9.245 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -19.268 3.706 8.702 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -19.412 5.459 11.786 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -18.758 5.450 10.145 1.00 0.00 H new ATOM 32 N SER A 3 -18.826 -0.750 13.635 1.00 0.00 N ATOM 33 CA SER A 3 -17.404 -0.699 13.925 1.00 0.00 C ATOM 34 C SER A 3 -16.637 -1.581 12.937 1.00 0.00 C ATOM 35 O SER A 3 -15.549 -1.219 12.493 1.00 0.00 O ATOM 36 CB SER A 3 -17.119 -1.138 15.362 1.00 0.00 C ATOM 37 OG SER A 3 -15.726 -1.107 15.664 1.00 0.00 O ATOM 0 H SER A 3 -19.084 -1.380 12.875 1.00 0.00 H new ATOM 0 HA SER A 3 -17.069 0.333 13.817 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.654 -0.487 16.053 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.501 -2.147 15.515 1.00 0.00 H new ATOM 0 HG SER A 3 -15.330 -0.289 15.297 1.00 0.00 H new ATOM 42 N TYR A 4 -17.234 -2.721 12.625 1.00 0.00 N ATOM 43 CA TYR A 4 -16.621 -3.658 11.698 1.00 0.00 C ATOM 44 C TYR A 4 -15.113 -3.760 11.939 1.00 0.00 C ATOM 45 O TYR A 4 -14.330 -3.052 11.308 1.00 0.00 O ATOM 46 CB TYR A 4 -16.864 -3.088 10.300 1.00 0.00 C ATOM 47 CG TYR A 4 -18.237 -3.429 9.719 1.00 0.00 C ATOM 48 CD1 TYR A 4 -18.449 -4.655 9.121 1.00 0.00 C ATOM 49 CD2 TYR A 4 -19.266 -2.511 9.793 1.00 0.00 C ATOM 50 CE1 TYR A 4 -19.742 -4.976 8.574 1.00 0.00 C ATOM 51 CE2 TYR A 4 -20.559 -2.831 9.247 1.00 0.00 C ATOM 52 CZ TYR A 4 -20.734 -4.048 8.665 1.00 0.00 C ATOM 53 OH TYR A 4 -21.955 -4.351 8.149 1.00 0.00 O ATOM 0 H TYR A 4 -18.136 -3.018 12.997 1.00 0.00 H new ATOM 0 HA TYR A 4 -17.045 -4.654 11.823 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -16.756 -2.004 10.337 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -16.093 -3.463 9.627 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -17.645 -5.374 9.063 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -19.101 -1.552 10.261 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -19.921 -5.931 8.102 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -21.371 -2.121 9.298 1.00 0.00 H new ATOM 0 HH TYR A 4 -22.565 -3.596 8.286 1.00 0.00 H new ATOM 62 N GLY A 5 -14.752 -4.647 12.856 1.00 0.00 N ATOM 63 CA GLY A 5 -13.352 -4.850 13.188 1.00 0.00 C ATOM 64 C GLY A 5 -12.654 -3.516 13.460 1.00 0.00 C ATOM 65 O GLY A 5 -12.666 -3.023 14.588 1.00 0.00 O ATOM 0 H GLY A 5 -15.404 -5.232 13.378 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.272 -5.492 14.065 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.851 -5.366 12.369 1.00 0.00 H new ATOM 69 N ASN A 6 -12.061 -2.970 12.410 1.00 0.00 N ATOM 70 CA ASN A 6 -11.358 -1.703 12.521 1.00 0.00 C ATOM 71 C ASN A 6 -11.417 -0.972 11.178 1.00 0.00 C ATOM 72 O ASN A 6 -11.549 -1.602 10.130 1.00 0.00 O ATOM 73 CB ASN A 6 -9.886 -1.919 12.878 1.00 0.00 C ATOM 74 CG ASN A 6 -9.394 -0.844 13.850 1.00 0.00 C ATOM 75 OD1 ASN A 6 -9.662 0.335 13.699 1.00 0.00 O ATOM 76 ND2 ASN A 6 -8.662 -1.319 14.854 1.00 0.00 N ATOM 0 H ASN A 6 -12.052 -3.382 11.477 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.838 -1.119 13.307 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.757 -2.905 13.325 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -9.281 -1.899 11.971 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.287 -0.683 15.558 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -8.475 -2.320 14.920 1.00 0.00 H new ATOM 82 N GLY A 7 -11.317 0.347 11.253 1.00 0.00 N ATOM 83 CA GLY A 7 -11.357 1.170 10.056 1.00 0.00 C ATOM 84 C GLY A 7 -12.782 1.273 9.509 1.00 0.00 C ATOM 85 O GLY A 7 -13.086 0.725 8.451 1.00 0.00 O ATOM 0 H GLY A 7 -11.208 0.866 12.124 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.978 2.166 10.283 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.702 0.745 9.296 1.00 0.00 H new ATOM 89 N VAL A 8 -13.619 1.980 10.255 1.00 0.00 N ATOM 90 CA VAL A 8 -15.005 2.161 9.858 1.00 0.00 C ATOM 91 C VAL A 8 -15.593 3.358 10.608 1.00 0.00 C ATOM 92 O VAL A 8 -15.798 4.420 10.023 1.00 0.00 O ATOM 93 CB VAL A 8 -15.788 0.867 10.088 1.00 0.00 C ATOM 94 CG1 VAL A 8 -17.283 1.152 10.243 1.00 0.00 C ATOM 95 CG2 VAL A 8 -15.535 -0.135 8.961 1.00 0.00 C ATOM 0 H VAL A 8 -13.364 2.434 11.132 1.00 0.00 H new ATOM 0 HA VAL A 8 -15.072 2.380 8.792 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.433 0.421 11.017 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.817 0.216 10.405 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.441 1.812 11.096 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -17.658 1.631 9.339 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.104 -1.046 9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.849 0.299 8.011 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.472 -0.373 8.918 1.00 0.00 H new ATOM 105 N TYR A 9 -15.847 3.145 11.891 1.00 0.00 N ATOM 106 CA TYR A 9 -16.408 4.193 12.726 1.00 0.00 C ATOM 107 C TYR A 9 -15.614 5.494 12.581 1.00 0.00 C ATOM 108 O TYR A 9 -16.196 6.566 12.428 1.00 0.00 O ATOM 109 CB TYR A 9 -16.287 3.694 14.168 1.00 0.00 C ATOM 110 CG TYR A 9 -14.890 3.190 14.536 1.00 0.00 C ATOM 111 CD1 TYR A 9 -14.562 1.863 14.344 1.00 0.00 C ATOM 112 CD2 TYR A 9 -13.958 4.062 15.060 1.00 0.00 C ATOM 113 CE1 TYR A 9 -13.247 1.389 14.690 1.00 0.00 C ATOM 114 CE2 TYR A 9 -12.644 3.588 15.407 1.00 0.00 C ATOM 115 CZ TYR A 9 -12.353 2.275 15.206 1.00 0.00 C ATOM 116 OH TYR A 9 -11.111 1.827 15.533 1.00 0.00 O ATOM 0 H TYR A 9 -15.675 2.262 12.372 1.00 0.00 H new ATOM 0 HA TYR A 9 -17.439 4.400 12.440 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -16.561 4.503 14.846 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -17.006 2.890 14.325 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.292 1.180 13.934 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -14.214 5.100 15.210 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -12.977 0.354 14.543 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -11.905 4.260 15.818 1.00 0.00 H new ATOM 0 HH TYR A 9 -10.436 2.399 15.112 1.00 0.00 H new ATOM 125 N CYS A 10 -14.298 5.354 12.633 1.00 0.00 N ATOM 126 CA CYS A 10 -13.418 6.504 12.509 1.00 0.00 C ATOM 127 C CYS A 10 -13.542 7.342 13.783 1.00 0.00 C ATOM 128 O CYS A 10 -14.632 7.484 14.334 1.00 0.00 O ATOM 129 CB CYS A 10 -13.731 7.322 11.255 1.00 0.00 C ATOM 130 SG CYS A 10 -12.263 7.988 10.389 1.00 0.00 S ATOM 0 H CYS A 10 -13.819 4.462 12.759 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.388 6.167 12.395 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.293 6.697 10.561 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.380 8.153 11.532 1.00 0.00 H new ATOM 134 N ASN A 11 -12.408 7.876 14.215 1.00 0.00 N ATOM 135 CA ASN A 11 -12.376 8.697 15.413 1.00 0.00 C ATOM 136 C ASN A 11 -13.094 10.020 15.140 1.00 0.00 C ATOM 137 O ASN A 11 -14.143 10.292 15.723 1.00 0.00 O ATOM 138 CB ASN A 11 -10.937 9.016 15.824 1.00 0.00 C ATOM 139 CG ASN A 11 -10.847 9.313 17.322 1.00 0.00 C ATOM 140 OD1 ASN A 11 -11.505 8.696 18.144 1.00 0.00 O ATOM 141 ND2 ASN A 11 -9.997 10.289 17.630 1.00 0.00 N ATOM 0 H ASN A 11 -11.505 7.756 13.756 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.866 8.143 16.214 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.290 8.175 15.577 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.575 9.874 15.257 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.865 10.562 18.604 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.477 10.765 16.892 1.00 0.00 H new ATOM 147 N ASN A 12 -12.502 10.807 14.254 1.00 0.00 N ATOM 148 CA ASN A 12 -13.073 12.094 13.897 1.00 0.00 C ATOM 149 C ASN A 12 -12.412 12.602 12.613 1.00 0.00 C ATOM 150 O ASN A 12 -13.005 12.537 11.538 1.00 0.00 O ATOM 151 CB ASN A 12 -12.827 13.129 14.996 1.00 0.00 C ATOM 152 CG ASN A 12 -13.700 12.848 16.220 1.00 0.00 C ATOM 153 OD1 ASN A 12 -14.831 13.294 16.324 1.00 0.00 O ATOM 154 ND2 ASN A 12 -13.115 12.084 17.138 1.00 0.00 N ATOM 0 H ASN A 12 -11.632 10.578 13.773 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.146 11.961 13.760 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.776 13.116 15.284 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.040 14.127 14.614 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.616 11.838 17.992 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.165 11.744 16.988 1.00 0.00 H new ATOM 160 N LYS A 13 -11.192 13.095 12.769 1.00 0.00 N ATOM 161 CA LYS A 13 -10.444 13.613 11.636 1.00 0.00 C ATOM 162 C LYS A 13 -9.479 12.538 11.132 1.00 0.00 C ATOM 163 O LYS A 13 -9.236 12.431 9.932 1.00 0.00 O ATOM 164 CB LYS A 13 -9.759 14.931 12.003 1.00 0.00 C ATOM 165 CG LYS A 13 -8.926 14.779 13.278 1.00 0.00 C ATOM 166 CD LYS A 13 -9.598 15.481 14.459 1.00 0.00 C ATOM 167 CE LYS A 13 -8.557 16.049 15.425 1.00 0.00 C ATOM 168 NZ LYS A 13 -8.966 17.391 15.899 1.00 0.00 N ATOM 0 H LYS A 13 -10.703 13.147 13.663 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.117 13.849 10.812 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.118 15.253 11.182 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.510 15.708 12.145 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.794 13.721 13.506 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.932 15.197 13.119 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.236 16.285 14.093 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.242 14.777 14.986 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.437 15.378 16.275 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.588 16.112 14.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.248 17.762 16.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.058 18.033 15.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.880 17.322 16.390 1.00 0.00 H new ATOM 178 N LYS A 14 -8.958 11.768 12.076 1.00 0.00 N ATOM 179 CA LYS A 14 -8.026 10.704 11.742 1.00 0.00 C ATOM 180 C LYS A 14 -8.808 9.435 11.397 1.00 0.00 C ATOM 181 O LYS A 14 -9.994 9.500 11.079 1.00 0.00 O ATOM 182 CB LYS A 14 -7.008 10.511 12.869 1.00 0.00 C ATOM 183 CG LYS A 14 -6.370 11.845 13.266 1.00 0.00 C ATOM 184 CD LYS A 14 -5.429 11.668 14.459 1.00 0.00 C ATOM 185 CE LYS A 14 -6.208 11.296 15.722 1.00 0.00 C ATOM 186 NZ LYS A 14 -7.174 12.363 16.070 1.00 0.00 N ATOM 0 H LYS A 14 -9.163 11.859 13.071 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.445 10.970 10.859 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.499 10.066 13.735 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.233 9.814 12.549 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.818 12.254 12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.149 12.565 13.516 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.697 10.891 14.237 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.874 12.590 14.629 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.737 10.356 15.566 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.516 11.140 16.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.456 12.265 17.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.731 13.293 15.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.015 12.282 15.463 1.00 0.00 H new ATOM 196 N CYS A 15 -8.112 8.310 11.472 1.00 0.00 N ATOM 197 CA CYS A 15 -8.726 7.029 11.171 1.00 0.00 C ATOM 198 C CYS A 15 -7.638 5.955 11.206 1.00 0.00 C ATOM 199 O CYS A 15 -6.672 6.019 10.447 1.00 0.00 O ATOM 200 CB CYS A 15 -9.460 7.054 9.829 1.00 0.00 C ATOM 201 SG CYS A 15 -11.166 6.393 9.874 1.00 0.00 S ATOM 0 H CYS A 15 -7.128 8.260 11.737 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.484 6.802 11.920 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.493 8.082 9.468 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.882 6.480 9.104 1.00 0.00 H new ATOM 205 N TRP A 16 -7.831 4.990 12.094 1.00 0.00 N ATOM 206 CA TRP A 16 -6.879 3.903 12.237 1.00 0.00 C ATOM 207 C TRP A 16 -7.555 2.614 11.764 1.00 0.00 C ATOM 208 O TRP A 16 -8.777 2.564 11.635 1.00 0.00 O ATOM 209 CB TRP A 16 -6.361 3.813 13.675 1.00 0.00 C ATOM 210 CG TRP A 16 -7.460 3.878 14.737 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.296 2.904 15.120 1.00 0.00 C ATOM 212 CD2 TRP A 16 -7.811 5.025 15.541 1.00 0.00 C ATOM 213 NE1 TRP A 16 -9.156 3.336 16.109 1.00 0.00 N ATOM 214 CE2 TRP A 16 -8.852 4.666 16.374 1.00 0.00 C ATOM 215 CE3 TRP A 16 -7.267 6.320 15.565 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -9.438 5.546 17.290 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -7.864 7.188 16.488 1.00 0.00 C ATOM 218 CH2 TRP A 16 -8.912 6.843 17.332 1.00 0.00 C ATOM 0 H TRP A 16 -8.633 4.939 12.722 1.00 0.00 H new ATOM 0 HA TRP A 16 -5.998 4.080 11.620 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.810 2.880 13.794 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.655 4.625 13.847 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.297 1.906 14.707 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.882 2.781 16.562 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.453 6.622 14.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.252 5.241 17.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.483 8.197 16.548 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -9.319 7.572 18.017 1.00 0.00 H new ATOM 228 N VAL A 17 -6.732 1.606 11.520 1.00 0.00 N ATOM 229 CA VAL A 17 -7.235 0.321 11.064 1.00 0.00 C ATOM 230 C VAL A 17 -6.096 -0.701 11.075 1.00 0.00 C ATOM 231 O VAL A 17 -6.291 -1.846 11.479 1.00 0.00 O ATOM 232 CB VAL A 17 -7.888 0.475 9.690 1.00 0.00 C ATOM 233 CG1 VAL A 17 -6.966 1.220 8.724 1.00 0.00 C ATOM 234 CG2 VAL A 17 -8.293 -0.887 9.121 1.00 0.00 C ATOM 0 H VAL A 17 -5.719 1.653 11.629 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.008 -0.049 11.737 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.793 1.070 9.814 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.455 1.315 7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.749 2.212 9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.036 0.664 8.608 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.755 -0.750 8.143 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.409 -1.516 9.020 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.004 -1.366 9.794 1.00 0.00 H new ATOM 244 N ASN A 18 -4.934 -0.249 10.628 1.00 0.00 N ATOM 245 CA ASN A 18 -3.765 -1.111 10.582 1.00 0.00 C ATOM 246 C ASN A 18 -2.670 -0.525 11.475 1.00 0.00 C ATOM 247 O ASN A 18 -1.826 0.239 11.009 1.00 0.00 O ATOM 248 CB ASN A 18 -3.211 -1.212 9.159 1.00 0.00 C ATOM 249 CG ASN A 18 -4.142 -2.034 8.265 1.00 0.00 C ATOM 250 OD1 ASN A 18 -5.264 -2.353 8.622 1.00 0.00 O ATOM 251 ND2 ASN A 18 -3.615 -2.356 7.088 1.00 0.00 N ATOM 0 H ASN A 18 -4.777 0.702 10.295 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.063 -2.102 10.924 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.088 -0.213 8.741 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.223 -1.672 9.181 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.157 -2.903 6.419 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.669 -2.056 6.854 1.00 0.00 H new ATOM 257 N ARG A 19 -2.718 -0.906 12.743 1.00 0.00 N ATOM 258 CA ARG A 19 -1.741 -0.428 13.706 1.00 0.00 C ATOM 259 C ARG A 19 -0.771 -1.551 14.080 1.00 0.00 C ATOM 260 O ARG A 19 0.442 -1.397 13.951 1.00 0.00 O ATOM 261 CB ARG A 19 -2.424 0.090 14.973 1.00 0.00 C ATOM 262 CG ARG A 19 -2.408 1.619 15.019 1.00 0.00 C ATOM 263 CD ARG A 19 -3.719 2.164 15.589 1.00 0.00 C ATOM 264 NE ARG A 19 -3.872 1.745 17.000 1.00 0.00 N ATOM 265 CZ ARG A 19 -5.037 1.740 17.660 1.00 0.00 C ATOM 266 NH1 ARG A 19 -6.160 2.133 17.042 1.00 0.00 N ATOM 267 NH2 ARG A 19 -5.080 1.344 18.940 1.00 0.00 N ATOM 0 H ARG A 19 -3.419 -1.541 13.126 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.192 0.392 13.242 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.453 -0.268 15.008 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.918 -0.309 15.852 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.572 1.959 15.630 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.251 2.015 14.016 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.730 3.252 15.521 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.560 1.799 15.000 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.037 1.441 17.501 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.127 2.436 16.069 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.047 2.129 17.545 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.225 1.047 19.411 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.967 1.340 19.443 1.00 0.00 H new ATOM 278 N GLY A 20 -1.343 -2.656 14.536 1.00 0.00 N ATOM 279 CA GLY A 20 -0.544 -3.804 14.930 1.00 0.00 C ATOM 280 C GLY A 20 0.364 -4.258 13.784 1.00 0.00 C ATOM 281 O GLY A 20 1.585 -4.291 13.932 1.00 0.00 O ATOM 0 H GLY A 20 -2.350 -2.781 14.641 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.062 -3.549 15.800 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.199 -4.623 15.227 1.00 0.00 H new ATOM 285 N GLU A 21 -0.267 -4.597 12.670 1.00 0.00 N ATOM 286 CA GLU A 21 0.469 -5.048 11.502 1.00 0.00 C ATOM 287 C GLU A 21 1.595 -4.067 11.172 1.00 0.00 C ATOM 288 O GLU A 21 2.691 -4.477 10.795 1.00 0.00 O ATOM 289 CB GLU A 21 -0.465 -5.234 10.304 1.00 0.00 C ATOM 290 CG GLU A 21 0.122 -6.228 9.300 1.00 0.00 C ATOM 291 CD GLU A 21 -0.979 -7.081 8.665 1.00 0.00 C ATOM 292 OE1 GLU A 21 -1.609 -6.651 7.688 1.00 0.00 O ATOM 293 OE2 GLU A 21 -1.168 -8.229 9.221 1.00 0.00 O ATOM 0 H GLU A 21 -1.280 -4.568 12.552 1.00 0.00 H new ATOM 0 HA GLU A 21 0.913 -6.017 11.729 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.436 -5.590 10.648 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.631 -4.274 9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.663 -5.688 8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.844 -6.873 9.801 1.00 0.00 H new ATOM 299 N ALA A 22 1.286 -2.788 11.327 1.00 0.00 N ATOM 300 CA ALA A 22 2.258 -1.744 11.050 1.00 0.00 C ATOM 301 C ALA A 22 3.522 -1.999 11.874 1.00 0.00 C ATOM 302 O ALA A 22 4.627 -2.010 11.333 1.00 0.00 O ATOM 303 CB ALA A 22 1.637 -0.377 11.344 1.00 0.00 C ATOM 0 H ALA A 22 0.376 -2.451 11.641 1.00 0.00 H new ATOM 0 HA ALA A 22 2.542 -1.754 9.998 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.366 0.406 11.136 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.760 -0.233 10.713 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.342 -0.329 12.392 1.00 0.00 H new ATOM 309 N THR A 23 3.317 -2.198 13.167 1.00 0.00 N ATOM 310 CA THR A 23 4.427 -2.453 14.070 1.00 0.00 C ATOM 311 C THR A 23 5.138 -3.753 13.686 1.00 0.00 C ATOM 312 O THR A 23 6.366 -3.802 13.644 1.00 0.00 O ATOM 313 CB THR A 23 3.882 -2.457 15.499 1.00 0.00 C ATOM 314 OG1 THR A 23 3.875 -1.083 15.872 1.00 0.00 O ATOM 315 CG2 THR A 23 4.847 -3.108 16.492 1.00 0.00 C ATOM 0 H THR A 23 2.399 -2.188 13.612 1.00 0.00 H new ATOM 0 HA THR A 23 5.184 -1.672 13.998 1.00 0.00 H new ATOM 0 HB THR A 23 2.928 -2.984 15.522 1.00 0.00 H new ATOM 0 HG1 THR A 23 3.533 -0.994 16.786 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.412 -3.085 17.491 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.028 -4.142 16.199 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.790 -2.562 16.494 1.00 0.00 H new ATOM 323 N GLN A 24 4.336 -4.772 13.418 1.00 0.00 N ATOM 324 CA GLN A 24 4.873 -6.068 13.040 1.00 0.00 C ATOM 325 C GLN A 24 5.937 -5.905 11.951 1.00 0.00 C ATOM 326 O GLN A 24 7.041 -6.432 12.072 1.00 0.00 O ATOM 327 CB GLN A 24 3.760 -7.011 12.581 1.00 0.00 C ATOM 328 CG GLN A 24 2.767 -7.279 13.714 1.00 0.00 C ATOM 329 CD GLN A 24 3.423 -8.083 14.839 1.00 0.00 C ATOM 330 OE1 GLN A 24 4.321 -8.880 14.625 1.00 0.00 O ATOM 331 NE2 GLN A 24 2.925 -7.829 16.046 1.00 0.00 N ATOM 0 H GLN A 24 3.318 -4.727 13.455 1.00 0.00 H new ATOM 0 HA GLN A 24 5.343 -6.514 13.917 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.237 -6.575 11.730 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.193 -7.952 12.241 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.395 -6.333 14.107 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.906 -7.824 13.327 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.173 -7.149 16.154 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.296 -8.314 16.863 1.00 0.00 H new ATOM 338 N SER A 25 5.566 -5.171 10.912 1.00 0.00 N ATOM 339 CA SER A 25 6.473 -4.932 9.802 1.00 0.00 C ATOM 340 C SER A 25 7.816 -4.420 10.326 1.00 0.00 C ATOM 341 O SER A 25 7.866 -3.718 11.336 1.00 0.00 O ATOM 342 CB SER A 25 5.876 -3.935 8.807 1.00 0.00 C ATOM 343 OG SER A 25 4.653 -4.406 8.249 1.00 0.00 O ATOM 0 H SER A 25 4.649 -4.734 10.815 1.00 0.00 H new ATOM 0 HA SER A 25 6.630 -5.875 9.279 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.703 -2.982 9.308 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.592 -3.749 8.006 1.00 0.00 H new ATOM 0 HG SER A 25 3.970 -4.452 8.950 1.00 0.00 H new ATOM 348 N ILE A 26 8.872 -4.790 9.617 1.00 0.00 N ATOM 349 CA ILE A 26 10.212 -4.376 9.999 1.00 0.00 C ATOM 350 C ILE A 26 10.350 -2.865 9.804 1.00 0.00 C ATOM 351 O ILE A 26 10.879 -2.170 10.668 1.00 0.00 O ATOM 352 CB ILE A 26 11.261 -5.191 9.240 1.00 0.00 C ATOM 353 CG1 ILE A 26 12.639 -5.053 9.890 1.00 0.00 C ATOM 354 CG2 ILE A 26 11.284 -4.812 7.758 1.00 0.00 C ATOM 355 CD1 ILE A 26 13.412 -6.371 9.823 1.00 0.00 C ATOM 0 H ILE A 26 8.827 -5.372 8.780 1.00 0.00 H new ATOM 0 HA ILE A 26 10.386 -4.579 11.056 1.00 0.00 H new ATOM 0 HB ILE A 26 10.983 -6.243 9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.205 -4.269 9.387 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.525 -4.747 10.930 1.00 0.00 H new ATOM 0 HG21 ILE A 26 12.038 -5.406 7.242 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.306 -5.006 7.318 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.524 -3.754 7.657 1.00 0.00 H new ATOM 0 HD11 ILE A 26 14.388 -6.245 10.292 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.855 -7.147 10.348 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.545 -6.662 8.781 1.00 0.00 H new ATOM 366 N ILE A 27 9.862 -2.401 8.662 1.00 0.00 N ATOM 367 CA ILE A 27 9.924 -0.985 8.343 1.00 0.00 C ATOM 368 C ILE A 27 9.177 -0.192 9.416 1.00 0.00 C ATOM 369 O ILE A 27 9.557 0.932 9.739 1.00 0.00 O ATOM 370 CB ILE A 27 9.412 -0.733 6.923 1.00 0.00 C ATOM 371 CG1 ILE A 27 10.407 -1.248 5.881 1.00 0.00 C ATOM 372 CG2 ILE A 27 9.077 0.746 6.715 1.00 0.00 C ATOM 373 CD1 ILE A 27 9.730 -1.432 4.521 1.00 0.00 C ATOM 0 H ILE A 27 9.422 -2.981 7.947 1.00 0.00 H new ATOM 0 HA ILE A 27 10.957 -0.637 8.351 1.00 0.00 H new ATOM 0 HB ILE A 27 8.487 -1.294 6.789 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.236 -0.547 5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.828 -2.197 6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.716 0.898 5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.305 1.047 7.423 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.972 1.348 6.876 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.459 -1.799 3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.917 -2.152 4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.331 -0.476 4.181 1.00 0.00 H new ATOM 384 N GLY A 28 8.127 -0.808 9.939 1.00 0.00 N ATOM 385 CA GLY A 28 7.323 -0.172 10.969 1.00 0.00 C ATOM 386 C GLY A 28 7.091 1.305 10.650 1.00 0.00 C ATOM 387 O GLY A 28 7.882 2.161 11.045 1.00 0.00 O ATOM 0 H GLY A 28 7.814 -1.741 9.669 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.365 -0.684 11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.822 -0.265 11.934 1.00 0.00 H new ATOM 391 N GLY A 29 6.002 1.561 9.939 1.00 0.00 N ATOM 392 CA GLY A 29 5.656 2.921 9.563 1.00 0.00 C ATOM 393 C GLY A 29 5.123 3.704 10.765 1.00 0.00 C ATOM 394 O GLY A 29 5.653 4.760 11.107 1.00 0.00 O ATOM 0 H GLY A 29 5.348 0.849 9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.534 3.424 9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.905 2.904 8.774 1.00 0.00 H new ATOM 398 N MET A 30 4.081 3.156 11.373 1.00 0.00 N ATOM 399 CA MET A 30 3.471 3.789 12.529 1.00 0.00 C ATOM 400 C MET A 30 4.495 3.991 13.648 1.00 0.00 C ATOM 401 O MET A 30 4.634 5.093 14.176 1.00 0.00 O ATOM 402 CB MET A 30 2.321 2.920 13.041 1.00 0.00 C ATOM 403 CG MET A 30 1.016 3.254 12.314 1.00 0.00 C ATOM 404 SD MET A 30 0.360 4.800 12.919 1.00 0.00 S ATOM 405 CE MET A 30 -0.145 4.302 14.557 1.00 0.00 C ATOM 0 H MET A 30 3.644 2.280 11.086 1.00 0.00 H new ATOM 0 HA MET A 30 3.093 4.766 12.227 1.00 0.00 H new ATOM 0 HB2 MET A 30 2.563 1.867 12.896 1.00 0.00 H new ATOM 0 HB3 MET A 30 2.194 3.073 14.113 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.194 3.320 11.241 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.290 2.456 12.468 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.207 4.509 14.689 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.035 3.235 14.685 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.428 4.858 15.299 1.00 0.00 H new ATOM 413 N ILE A 31 5.185 2.908 13.977 1.00 0.00 N ATOM 414 CA ILE A 31 6.192 2.953 15.024 1.00 0.00 C ATOM 415 C ILE A 31 7.200 4.059 14.709 1.00 0.00 C ATOM 416 O ILE A 31 7.441 4.939 15.534 1.00 0.00 O ATOM 417 CB ILE A 31 6.829 1.575 15.213 1.00 0.00 C ATOM 418 CG1 ILE A 31 7.874 1.602 16.331 1.00 0.00 C ATOM 419 CG2 ILE A 31 7.412 1.055 13.897 1.00 0.00 C ATOM 420 CD1 ILE A 31 8.547 0.237 16.484 1.00 0.00 C ATOM 0 H ILE A 31 5.067 1.995 13.537 1.00 0.00 H new ATOM 0 HA ILE A 31 5.735 3.202 15.982 1.00 0.00 H new ATOM 0 HB ILE A 31 6.049 0.878 15.518 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.626 2.360 16.113 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.400 1.885 17.271 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.859 0.074 14.059 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.618 0.974 13.154 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.175 1.746 13.539 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.285 0.283 17.285 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.795 -0.514 16.726 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.041 -0.032 15.550 1.00 0.00 H new ATOM 431 N SER A 32 7.764 3.978 13.512 1.00 0.00 N ATOM 432 CA SER A 32 8.741 4.962 13.078 1.00 0.00 C ATOM 433 C SER A 32 8.288 6.366 13.484 1.00 0.00 C ATOM 434 O SER A 32 9.111 7.215 13.821 1.00 0.00 O ATOM 435 CB SER A 32 8.960 4.890 11.565 1.00 0.00 C ATOM 436 OG SER A 32 9.932 5.833 11.121 1.00 0.00 O ATOM 0 H SER A 32 7.563 3.247 12.830 1.00 0.00 H new ATOM 0 HA SER A 32 9.690 4.740 13.566 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.280 3.884 11.292 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.016 5.074 11.053 1.00 0.00 H new ATOM 0 HG SER A 32 10.044 5.755 10.151 1.00 0.00 H new ATOM 441 N GLY A 33 6.978 6.566 13.436 1.00 0.00 N ATOM 442 CA GLY A 33 6.405 7.852 13.794 1.00 0.00 C ATOM 443 C GLY A 33 6.416 8.055 15.310 1.00 0.00 C ATOM 444 O GLY A 33 6.719 9.145 15.792 1.00 0.00 O ATOM 0 H GLY A 33 6.298 5.859 13.155 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.968 8.652 13.313 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.382 7.914 13.423 1.00 0.00 H new ATOM 448 N TRP A 34 6.084 6.987 16.021 1.00 0.00 N ATOM 449 CA TRP A 34 6.052 7.034 17.473 1.00 0.00 C ATOM 450 C TRP A 34 7.455 7.398 17.964 1.00 0.00 C ATOM 451 O TRP A 34 7.624 8.362 18.709 1.00 0.00 O ATOM 452 CB TRP A 34 5.539 5.714 18.053 1.00 0.00 C ATOM 453 CG TRP A 34 5.151 5.793 19.530 1.00 0.00 C ATOM 454 CD1 TRP A 34 4.364 6.698 20.129 1.00 0.00 C ATOM 455 CD2 TRP A 34 5.564 4.891 20.578 1.00 0.00 C ATOM 456 NE1 TRP A 34 4.242 6.446 21.480 1.00 0.00 N ATOM 457 CE2 TRP A 34 4.994 5.312 21.762 1.00 0.00 C ATOM 458 CE3 TRP A 34 6.393 3.756 20.527 1.00 0.00 C ATOM 459 CZ2 TRP A 34 5.192 4.657 22.984 1.00 0.00 C ATOM 460 CZ3 TRP A 34 6.579 3.113 21.756 1.00 0.00 C ATOM 461 CH2 TRP A 34 6.013 3.525 22.957 1.00 0.00 C ATOM 0 H TRP A 34 5.835 6.084 15.618 1.00 0.00 H new ATOM 0 HA TRP A 34 5.353 7.795 17.820 1.00 0.00 H new ATOM 0 HB2 TRP A 34 4.673 5.388 17.477 1.00 0.00 H new ATOM 0 HB3 TRP A 34 6.308 4.952 17.930 1.00 0.00 H new ATOM 0 HD1 TRP A 34 3.886 7.521 19.618 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.699 6.992 22.149 1.00 0.00 H new ATOM 0 HE3 TRP A 34 6.850 3.408 19.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 4.735 5.007 23.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 7.207 2.234 21.773 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.206 2.973 23.865 1.00 0.00 H new ATOM 471 N ALA A 35 8.424 6.606 17.529 1.00 0.00 N ATOM 472 CA ALA A 35 9.806 6.834 17.916 1.00 0.00 C ATOM 473 C ALA A 35 10.252 8.209 17.414 1.00 0.00 C ATOM 474 O ALA A 35 10.985 8.917 18.103 1.00 0.00 O ATOM 475 CB ALA A 35 10.681 5.702 17.372 1.00 0.00 C ATOM 0 H ALA A 35 8.280 5.806 16.913 1.00 0.00 H new ATOM 0 HA ALA A 35 9.906 6.832 19.001 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.718 5.872 17.662 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.341 4.751 17.781 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.608 5.676 16.285 1.00 0.00 H new ATOM 481 N SER A 36 9.792 8.544 16.218 1.00 0.00 N ATOM 482 CA SER A 36 10.134 9.822 15.616 1.00 0.00 C ATOM 483 C SER A 36 9.506 10.963 16.419 1.00 0.00 C ATOM 484 O SER A 36 10.092 12.038 16.539 1.00 0.00 O ATOM 485 CB SER A 36 9.677 9.884 14.157 1.00 0.00 C ATOM 486 OG SER A 36 9.911 11.165 13.578 1.00 0.00 O ATOM 0 H SER A 36 9.185 7.953 15.649 1.00 0.00 H new ATOM 0 HA SER A 36 11.219 9.929 15.633 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.203 9.124 13.580 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.614 9.649 14.100 1.00 0.00 H new ATOM 0 HG SER A 36 9.607 11.163 12.646 1.00 0.00 H new ATOM 491 N GLY A 37 8.321 10.691 16.946 1.00 0.00 N ATOM 492 CA GLY A 37 7.607 11.682 17.733 1.00 0.00 C ATOM 493 C GLY A 37 8.358 11.999 19.028 1.00 0.00 C ATOM 494 O GLY A 37 8.677 13.155 19.298 1.00 0.00 O ATOM 0 H GLY A 37 7.838 9.799 16.843 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.481 12.594 17.149 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.608 11.314 17.968 1.00 0.00 H new ATOM 498 N LEU A 38 8.619 10.951 19.795 1.00 0.00 N ATOM 499 CA LEU A 38 9.327 11.102 21.056 1.00 0.00 C ATOM 500 C LEU A 38 10.686 11.755 20.796 1.00 0.00 C ATOM 501 O LEU A 38 11.135 12.591 21.578 1.00 0.00 O ATOM 502 CB LEU A 38 9.418 9.759 21.783 1.00 0.00 C ATOM 503 CG LEU A 38 10.041 8.608 20.991 1.00 0.00 C ATOM 504 CD1 LEU A 38 11.568 8.637 21.092 1.00 0.00 C ATOM 505 CD2 LEU A 38 9.463 7.263 21.434 1.00 0.00 C ATOM 0 H LEU A 38 8.353 9.993 19.568 1.00 0.00 H new ATOM 0 HA LEU A 38 8.778 11.763 21.726 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.997 9.901 22.696 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.413 9.464 22.086 1.00 0.00 H new ATOM 0 HG LEU A 38 9.785 8.738 19.939 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.986 7.809 20.520 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.941 9.579 20.691 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.865 8.544 22.136 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.922 6.461 20.856 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.669 7.110 22.493 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.386 7.258 21.269 1.00 0.00 H new ATOM 516 N ALA A 39 11.302 11.348 19.697 1.00 0.00 N ATOM 517 CA ALA A 39 12.601 11.883 19.325 1.00 0.00 C ATOM 518 C ALA A 39 12.461 13.372 19.001 1.00 0.00 C ATOM 519 O ALA A 39 13.378 14.154 19.247 1.00 0.00 O ATOM 520 CB ALA A 39 13.166 11.082 18.151 1.00 0.00 C ATOM 0 H ALA A 39 10.926 10.654 19.051 1.00 0.00 H new ATOM 0 HA ALA A 39 13.305 11.790 20.152 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.140 11.483 17.872 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.274 10.037 18.442 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.487 11.154 17.301 1.00 0.00 H new ATOM 526 N GLY A 40 11.305 13.719 18.454 1.00 0.00 N ATOM 527 CA GLY A 40 11.033 15.101 18.094 1.00 0.00 C ATOM 528 C GLY A 40 10.956 15.987 19.339 1.00 0.00 C ATOM 529 O GLY A 40 9.871 16.407 19.739 1.00 0.00 O ATOM 0 H GLY A 40 10.546 13.068 18.251 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.815 15.468 17.430 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.094 15.159 17.543 1.00 0.00 H new ATOM 533 N MET A 41 12.120 16.245 19.916 1.00 0.00 N ATOM 534 CA MET A 41 12.197 17.073 21.107 1.00 0.00 C ATOM 535 C MET A 41 13.649 17.244 21.563 1.00 0.00 C ATOM 536 O MET A 41 14.217 18.327 21.440 1.00 0.00 O ATOM 537 CB MET A 41 11.382 16.430 22.231 1.00 0.00 C ATOM 538 CG MET A 41 12.163 15.293 22.893 1.00 0.00 C ATOM 539 SD MET A 41 12.873 15.854 24.432 1.00 0.00 S ATOM 540 CE MET A 41 12.471 14.468 25.482 1.00 0.00 C ATOM 0 H MET A 41 13.018 15.895 19.581 1.00 0.00 H new ATOM 0 HA MET A 41 11.791 18.056 20.869 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.127 17.183 22.977 1.00 0.00 H new ATOM 0 HB3 MET A 41 10.443 16.047 21.831 1.00 0.00 H new ATOM 0 HG2 MET A 41 11.502 14.445 23.075 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.951 14.945 22.225 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.845 14.654 26.489 1.00 0.00 H new ATOM 0 HE2 MET A 41 11.389 14.338 25.515 1.00 0.00 H new ATOM 0 HE3 MET A 41 12.933 13.564 25.085 1.00 0.00 H new TER 548 MET A 41