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 11 ASN : amide:sc= -2.06 K(o=-6.6,f=-3.6!) USER MOD Set 1.2: A 12 ASN : amide:sc= -4.54 K(o=-6.6,f=-3.6!) USER MOD Set 2.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 9 TYR OH : rot 159:sc= 0.00706 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -1.38 K(o=-1.4,f=-4.4!) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= -1.83 (180deg=-2.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.675 K(o=-0.68,f=-6.5!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.13) USER MOD Single : A 25 SER OG : rot -104:sc= 1.23 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 -23.471 3.467 12.137 1.00 0.00 N ATOM 2 CA ALA A 1 -23.031 2.373 12.985 1.00 0.00 C ATOM 3 C ALA A 1 -21.508 2.247 12.898 1.00 0.00 C ATOM 4 O ALA A 1 -20.811 2.393 13.901 1.00 0.00 O ATOM 5 CB ALA A 1 -23.747 1.086 12.572 1.00 0.00 C ATOM 0 H1 ALA A 1 -24.506 3.556 12.194 1.00 0.00 H new ATOM 0 H2 ALA A 1 -23.030 4.353 12.456 1.00 0.00 H new ATOM 0 H3 ALA A 1 -23.193 3.277 11.153 1.00 0.00 H new ATOM 0 HA ALA A 1 -23.287 2.568 14.026 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -23.416 0.265 13.209 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -24.824 1.218 12.680 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -23.512 0.856 11.533 1.00 0.00 H new ATOM 11 N ARG A 2 -21.037 1.977 11.689 1.00 0.00 N ATOM 12 CA ARG A 2 -19.610 1.830 11.458 1.00 0.00 C ATOM 13 C ARG A 2 -19.055 0.672 12.289 1.00 0.00 C ATOM 14 O ARG A 2 -19.487 0.451 13.420 1.00 0.00 O ATOM 15 CB ARG A 2 -18.859 3.113 11.817 1.00 0.00 C ATOM 16 CG ARG A 2 -17.656 3.322 10.894 1.00 0.00 C ATOM 17 CD ARG A 2 -17.638 4.744 10.331 1.00 0.00 C ATOM 18 NE ARG A 2 -18.125 4.741 8.933 1.00 0.00 N ATOM 19 CZ ARG A 2 -17.853 5.703 8.042 1.00 0.00 C ATOM 20 NH1 ARG A 2 -17.096 6.750 8.395 1.00 0.00 N ATOM 21 NH2 ARG A 2 -18.338 5.618 6.795 1.00 0.00 N ATOM 0 H ARG A 2 -21.618 1.856 10.860 1.00 0.00 H new ATOM 0 HA ARG A 2 -19.465 1.623 10.398 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -19.533 3.966 11.741 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -18.523 3.064 12.853 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -16.734 3.133 11.444 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -17.692 2.603 10.075 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -18.265 5.394 10.942 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -16.626 5.147 10.371 1.00 0.00 H new ATOM 0 HE ARG A 2 -18.704 3.958 8.630 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -16.726 6.815 9.343 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -16.889 7.482 7.716 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -18.914 4.821 6.525 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -18.131 6.351 6.116 1.00 0.00 H new ATOM 32 N SER A 3 -18.105 -0.037 11.698 1.00 0.00 N ATOM 33 CA SER A 3 -17.485 -1.167 12.369 1.00 0.00 C ATOM 34 C SER A 3 -16.349 -1.726 11.512 1.00 0.00 C ATOM 35 O SER A 3 -15.178 -1.441 11.763 1.00 0.00 O ATOM 36 CB SER A 3 -18.512 -2.260 12.668 1.00 0.00 C ATOM 37 OG SER A 3 -17.915 -3.402 13.276 1.00 0.00 O ATOM 0 H SER A 3 -17.749 0.149 10.761 1.00 0.00 H new ATOM 0 HA SER A 3 -17.077 -0.819 13.318 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.284 -1.861 13.326 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.004 -2.558 11.742 1.00 0.00 H new ATOM 0 HG SER A 3 -18.604 -4.076 13.453 1.00 0.00 H new ATOM 42 N TYR A 4 -16.732 -2.511 10.516 1.00 0.00 N ATOM 43 CA TYR A 4 -15.759 -3.114 9.621 1.00 0.00 C ATOM 44 C TYR A 4 -14.593 -3.718 10.405 1.00 0.00 C ATOM 45 O TYR A 4 -13.558 -3.075 10.580 1.00 0.00 O ATOM 46 CB TYR A 4 -15.234 -1.976 8.742 1.00 0.00 C ATOM 47 CG TYR A 4 -16.326 -1.217 7.987 1.00 0.00 C ATOM 48 CD1 TYR A 4 -16.839 -1.732 6.814 1.00 0.00 C ATOM 49 CD2 TYR A 4 -16.800 -0.018 8.479 1.00 0.00 C ATOM 50 CE1 TYR A 4 -17.868 -1.018 6.102 1.00 0.00 C ATOM 51 CE2 TYR A 4 -17.829 0.696 7.768 1.00 0.00 C ATOM 52 CZ TYR A 4 -18.311 0.160 6.615 1.00 0.00 C ATOM 53 OH TYR A 4 -19.283 0.835 5.943 1.00 0.00 O ATOM 0 H TYR A 4 -17.703 -2.744 10.309 1.00 0.00 H new ATOM 0 HA TYR A 4 -16.216 -3.915 9.040 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -14.683 -1.273 9.367 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -14.526 -2.385 8.021 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -16.469 -2.671 6.429 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -16.399 0.385 9.397 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -18.278 -1.410 5.183 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -18.209 1.635 8.142 1.00 0.00 H new ATOM 0 HH TYR A 4 -19.502 1.659 6.426 1.00 0.00 H new ATOM 62 N GLY A 5 -14.797 -4.947 10.854 1.00 0.00 N ATOM 63 CA GLY A 5 -13.775 -5.645 11.615 1.00 0.00 C ATOM 64 C GLY A 5 -13.078 -4.699 12.595 1.00 0.00 C ATOM 65 O GLY A 5 -13.576 -4.463 13.695 1.00 0.00 O ATOM 0 H GLY A 5 -15.655 -5.478 10.705 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.226 -6.473 12.162 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.040 -6.075 10.934 1.00 0.00 H new ATOM 69 N ASN A 6 -11.938 -4.182 12.161 1.00 0.00 N ATOM 70 CA ASN A 6 -11.168 -3.268 12.986 1.00 0.00 C ATOM 71 C ASN A 6 -10.312 -2.374 12.087 1.00 0.00 C ATOM 72 O ASN A 6 -9.557 -2.869 11.252 1.00 0.00 O ATOM 73 CB ASN A 6 -10.231 -4.028 13.926 1.00 0.00 C ATOM 74 CG ASN A 6 -9.063 -4.645 13.155 1.00 0.00 C ATOM 75 OD1 ASN A 6 -9.202 -5.118 12.039 1.00 0.00 O ATOM 76 ND2 ASN A 6 -7.905 -4.613 13.809 1.00 0.00 N ATOM 0 H ASN A 6 -11.529 -4.379 11.248 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.868 -2.677 13.576 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.850 -3.351 14.690 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -10.785 -4.812 14.442 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.065 -4.999 13.378 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.857 -4.202 14.741 1.00 0.00 H new ATOM 82 N GLY A 7 -10.459 -1.072 12.288 1.00 0.00 N ATOM 83 CA GLY A 7 -9.709 -0.105 11.505 1.00 0.00 C ATOM 84 C GLY A 7 -10.635 0.699 10.592 1.00 0.00 C ATOM 85 O GLY A 7 -10.525 0.624 9.369 1.00 0.00 O ATOM 0 H GLY A 7 -11.086 -0.665 12.982 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.174 0.571 12.172 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.959 -0.621 10.905 1.00 0.00 H new ATOM 89 N VAL A 8 -11.529 1.449 11.220 1.00 0.00 N ATOM 90 CA VAL A 8 -12.474 2.265 10.478 1.00 0.00 C ATOM 91 C VAL A 8 -13.063 3.328 11.409 1.00 0.00 C ATOM 92 O VAL A 8 -13.178 4.493 11.031 1.00 0.00 O ATOM 93 CB VAL A 8 -13.542 1.377 9.836 1.00 0.00 C ATOM 94 CG1 VAL A 8 -14.805 2.179 9.519 1.00 0.00 C ATOM 95 CG2 VAL A 8 -13.000 0.688 8.581 1.00 0.00 C ATOM 0 H VAL A 8 -11.618 1.508 12.234 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.971 2.786 9.664 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.810 0.602 10.555 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.547 1.524 9.064 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.209 2.601 10.439 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.560 2.985 8.828 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.779 0.063 8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.691 1.442 7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.144 0.068 8.847 1.00 0.00 H new ATOM 105 N TYR A 9 -13.419 2.889 12.607 1.00 0.00 N ATOM 106 CA TYR A 9 -13.992 3.789 13.594 1.00 0.00 C ATOM 107 C TYR A 9 -13.330 5.167 13.530 1.00 0.00 C ATOM 108 O TYR A 9 -13.992 6.163 13.243 1.00 0.00 O ATOM 109 CB TYR A 9 -13.701 3.159 14.958 1.00 0.00 C ATOM 110 CG TYR A 9 -14.149 1.701 15.079 1.00 0.00 C ATOM 111 CD1 TYR A 9 -15.447 1.406 15.440 1.00 0.00 C ATOM 112 CD2 TYR A 9 -13.254 0.681 14.827 1.00 0.00 C ATOM 113 CE1 TYR A 9 -15.869 0.034 15.554 1.00 0.00 C ATOM 114 CE2 TYR A 9 -13.675 -0.691 14.942 1.00 0.00 C ATOM 115 CZ TYR A 9 -14.963 -0.947 15.299 1.00 0.00 C ATOM 116 OH TYR A 9 -15.361 -2.243 15.407 1.00 0.00 O ATOM 0 H TYR A 9 -13.322 1.922 12.917 1.00 0.00 H new ATOM 0 HA TYR A 9 -15.059 3.926 13.415 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -12.630 3.216 15.152 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.197 3.746 15.731 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -16.147 2.204 15.637 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -12.238 0.912 14.544 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -16.883 -0.210 15.836 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -12.984 -1.499 14.749 1.00 0.00 H new ATOM 0 HH TYR A 9 -14.754 -2.815 14.893 1.00 0.00 H new ATOM 125 N CYS A 10 -12.033 5.178 13.800 1.00 0.00 N ATOM 126 CA CYS A 10 -11.275 6.417 13.777 1.00 0.00 C ATOM 127 C CYS A 10 -11.899 7.382 14.788 1.00 0.00 C ATOM 128 O CYS A 10 -12.973 7.931 14.545 1.00 0.00 O ATOM 129 CB CYS A 10 -11.221 7.021 12.371 1.00 0.00 C ATOM 130 SG CYS A 10 -9.788 6.489 11.363 1.00 0.00 S ATOM 0 H CYS A 10 -11.488 4.349 14.036 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.240 6.218 14.057 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.137 6.758 11.842 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -11.203 8.107 12.458 1.00 0.00 H new ATOM 134 N ASN A 11 -11.200 7.558 15.898 1.00 0.00 N ATOM 135 CA ASN A 11 -11.671 8.447 16.947 1.00 0.00 C ATOM 136 C ASN A 11 -12.189 9.741 16.317 1.00 0.00 C ATOM 137 O ASN A 11 -13.396 9.974 16.273 1.00 0.00 O ATOM 138 CB ASN A 11 -10.541 8.809 17.911 1.00 0.00 C ATOM 139 CG ASN A 11 -10.874 8.367 19.338 1.00 0.00 C ATOM 140 OD1 ASN A 11 -10.338 7.402 19.857 1.00 0.00 O ATOM 141 ND2 ASN A 11 -11.785 9.126 19.941 1.00 0.00 N ATOM 0 H ASN A 11 -10.310 7.100 16.095 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.461 7.933 17.495 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.615 8.334 17.586 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.371 9.886 17.890 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.074 8.914 20.896 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.194 9.920 19.448 1.00 0.00 H new ATOM 147 N ASN A 12 -11.251 10.550 15.846 1.00 0.00 N ATOM 148 CA ASN A 12 -11.598 11.815 15.221 1.00 0.00 C ATOM 149 C ASN A 12 -10.320 12.517 14.757 1.00 0.00 C ATOM 150 O ASN A 12 -10.208 12.907 13.596 1.00 0.00 O ATOM 151 CB ASN A 12 -12.313 12.739 16.208 1.00 0.00 C ATOM 152 CG ASN A 12 -11.605 12.746 17.564 1.00 0.00 C ATOM 153 OD1 ASN A 12 -10.732 13.556 17.834 1.00 0.00 O ATOM 154 ND2 ASN A 12 -12.026 11.802 18.401 1.00 0.00 N ATOM 0 H ASN A 12 -10.251 10.354 15.885 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.259 11.605 14.380 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.346 13.751 15.806 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.345 12.413 16.334 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -11.614 11.725 19.331 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.760 11.156 18.113 1.00 0.00 H new ATOM 160 N LYS A 13 -9.388 12.656 15.688 1.00 0.00 N ATOM 161 CA LYS A 13 -8.122 13.304 15.390 1.00 0.00 C ATOM 162 C LYS A 13 -7.066 12.238 15.093 1.00 0.00 C ATOM 163 O LYS A 13 -6.355 12.325 14.094 1.00 0.00 O ATOM 164 CB LYS A 13 -7.731 14.261 16.517 1.00 0.00 C ATOM 165 CG LYS A 13 -6.295 14.760 16.340 1.00 0.00 C ATOM 166 CD LYS A 13 -5.464 14.497 17.597 1.00 0.00 C ATOM 167 CE LYS A 13 -4.680 13.189 17.473 1.00 0.00 C ATOM 168 NZ LYS A 13 -4.335 12.663 18.813 1.00 0.00 N ATOM 0 H LYS A 13 -9.484 12.331 16.650 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.211 13.922 14.496 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.415 15.109 16.532 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.828 13.756 17.478 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.836 14.262 15.486 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.302 15.828 16.121 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.774 15.325 17.761 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.119 14.451 18.467 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.272 12.453 16.928 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.770 13.356 16.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.704 11.842 18.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.855 13.403 19.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.203 12.373 19.306 1.00 0.00 H new ATOM 178 N LYS A 14 -6.997 11.256 15.980 1.00 0.00 N ATOM 179 CA LYS A 14 -6.039 10.175 15.826 1.00 0.00 C ATOM 180 C LYS A 14 -6.320 9.434 14.517 1.00 0.00 C ATOM 181 O LYS A 14 -5.535 9.513 13.574 1.00 0.00 O ATOM 182 CB LYS A 14 -6.050 9.270 17.060 1.00 0.00 C ATOM 183 CG LYS A 14 -5.744 10.068 18.328 1.00 0.00 C ATOM 184 CD LYS A 14 -6.188 9.305 19.578 1.00 0.00 C ATOM 185 CE LYS A 14 -7.705 9.390 19.760 1.00 0.00 C ATOM 186 NZ LYS A 14 -8.047 10.372 20.812 1.00 0.00 N ATOM 0 H LYS A 14 -7.589 11.187 16.808 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.025 10.570 15.758 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.024 8.790 17.154 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.313 8.476 16.939 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.675 10.273 18.384 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.252 11.032 18.287 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.885 8.261 19.498 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.689 9.715 20.456 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.174 9.678 18.819 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.101 8.410 20.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.080 10.417 20.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.615 10.081 21.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.687 11.310 20.542 1.00 0.00 H new ATOM 196 N CYS A 15 -7.442 8.730 14.501 1.00 0.00 N ATOM 197 CA CYS A 15 -7.836 7.975 13.324 1.00 0.00 C ATOM 198 C CYS A 15 -6.831 6.839 13.122 1.00 0.00 C ATOM 199 O CYS A 15 -5.630 7.083 13.004 1.00 0.00 O ATOM 200 CB CYS A 15 -7.942 8.869 12.088 1.00 0.00 C ATOM 201 SG CYS A 15 -8.882 8.145 10.695 1.00 0.00 S ATOM 0 H CYS A 15 -8.091 8.667 15.285 1.00 0.00 H new ATOM 0 HA CYS A 15 -8.831 7.556 13.475 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.413 9.809 12.376 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.936 9.109 11.743 1.00 0.00 H new ATOM 205 N TRP A 16 -7.357 5.624 13.089 1.00 0.00 N ATOM 206 CA TRP A 16 -6.520 4.451 12.902 1.00 0.00 C ATOM 207 C TRP A 16 -7.141 3.598 11.794 1.00 0.00 C ATOM 208 O TRP A 16 -8.321 3.745 11.480 1.00 0.00 O ATOM 209 CB TRP A 16 -6.347 3.688 14.218 1.00 0.00 C ATOM 210 CG TRP A 16 -7.644 3.505 15.007 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.706 2.755 14.687 1.00 0.00 C ATOM 212 CD2 TRP A 16 -7.974 4.120 16.271 1.00 0.00 C ATOM 213 NE1 TRP A 16 -9.693 2.840 15.648 1.00 0.00 N ATOM 214 CE2 TRP A 16 -9.234 3.697 16.641 1.00 0.00 C ATOM 215 CE3 TRP A 16 -7.233 5.005 17.074 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -9.863 4.105 17.823 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -7.876 5.403 18.252 1.00 0.00 C ATOM 218 CH2 TRP A 16 -9.144 4.986 18.639 1.00 0.00 C ATOM 0 H TRP A 16 -8.353 5.426 13.189 1.00 0.00 H new ATOM 0 HA TRP A 16 -5.514 4.739 12.596 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.923 2.707 14.004 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.627 4.218 14.841 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.781 2.159 13.790 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.594 2.362 15.632 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.246 5.350 16.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.850 3.759 18.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.350 6.082 18.906 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -9.573 5.340 19.565 1.00 0.00 H new ATOM 228 N VAL A 17 -6.317 2.726 11.232 1.00 0.00 N ATOM 229 CA VAL A 17 -6.770 1.850 10.165 1.00 0.00 C ATOM 230 C VAL A 17 -5.773 0.702 9.996 1.00 0.00 C ATOM 231 O VAL A 17 -6.170 -0.456 9.866 1.00 0.00 O ATOM 232 CB VAL A 17 -6.978 2.655 8.879 1.00 0.00 C ATOM 233 CG1 VAL A 17 -5.769 3.546 8.590 1.00 0.00 C ATOM 234 CG2 VAL A 17 -7.274 1.731 7.697 1.00 0.00 C ATOM 0 H VAL A 17 -5.339 2.607 11.495 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.735 1.409 10.417 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.844 3.302 9.023 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.942 4.107 7.672 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.623 4.240 9.417 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.880 2.926 8.475 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.418 2.327 6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.437 1.048 7.551 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.178 1.158 7.901 1.00 0.00 H new ATOM 244 N ASN A 18 -4.498 1.061 10.004 1.00 0.00 N ATOM 245 CA ASN A 18 -3.441 0.075 9.853 1.00 0.00 C ATOM 246 C ASN A 18 -2.802 -0.194 11.217 1.00 0.00 C ATOM 247 O ASN A 18 -1.857 0.489 11.609 1.00 0.00 O ATOM 248 CB ASN A 18 -2.348 0.578 8.910 1.00 0.00 C ATOM 249 CG ASN A 18 -1.368 -0.543 8.557 1.00 0.00 C ATOM 250 OD1 ASN A 18 -1.699 -1.717 8.567 1.00 0.00 O ATOM 251 ND2 ASN A 18 -0.147 -0.116 8.248 1.00 0.00 N ATOM 0 H ASN A 18 -4.173 2.022 10.113 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.883 -0.832 9.440 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.801 0.970 7.999 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.810 1.402 9.378 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.580 -0.787 7.999 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.062 0.882 8.259 1.00 0.00 H new ATOM 257 N ARG A 19 -3.344 -1.190 11.903 1.00 0.00 N ATOM 258 CA ARG A 19 -2.839 -1.556 13.215 1.00 0.00 C ATOM 259 C ARG A 19 -2.083 -2.885 13.140 1.00 0.00 C ATOM 260 O ARG A 19 -0.999 -3.020 13.705 1.00 0.00 O ATOM 261 CB ARG A 19 -3.977 -1.682 14.229 1.00 0.00 C ATOM 262 CG ARG A 19 -3.810 -0.677 15.369 1.00 0.00 C ATOM 263 CD ARG A 19 -5.166 -0.136 15.827 1.00 0.00 C ATOM 264 NE ARG A 19 -5.926 -1.199 16.521 1.00 0.00 N ATOM 265 CZ ARG A 19 -6.920 -0.967 17.389 1.00 0.00 C ATOM 266 NH1 ARG A 19 -7.279 0.292 17.675 1.00 0.00 N ATOM 267 NH2 ARG A 19 -7.555 -1.993 17.971 1.00 0.00 N ATOM 0 H ARG A 19 -4.128 -1.754 11.575 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.163 -0.766 13.542 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.932 -1.517 13.731 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.999 -2.694 14.632 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.303 -1.154 16.208 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.177 0.148 15.041 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.021 0.714 16.494 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.732 0.225 14.968 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.678 -2.169 16.327 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.796 1.073 17.232 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.036 0.469 18.336 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.282 -2.951 17.753 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.312 -1.816 18.632 1.00 0.00 H new ATOM 278 N GLY A 20 -2.685 -3.833 12.436 1.00 0.00 N ATOM 279 CA GLY A 20 -2.082 -5.145 12.280 1.00 0.00 C ATOM 280 C GLY A 20 -0.706 -5.042 11.620 1.00 0.00 C ATOM 281 O GLY A 20 0.317 -5.256 12.270 1.00 0.00 O ATOM 0 H GLY A 20 -3.584 -3.718 11.968 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.987 -5.623 13.255 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.732 -5.778 11.676 1.00 0.00 H new ATOM 285 N GLU A 21 -0.725 -4.714 10.336 1.00 0.00 N ATOM 286 CA GLU A 21 0.510 -4.579 9.580 1.00 0.00 C ATOM 287 C GLU A 21 1.426 -3.546 10.240 1.00 0.00 C ATOM 288 O GLU A 21 2.637 -3.561 10.027 1.00 0.00 O ATOM 289 CB GLU A 21 0.223 -4.207 8.124 1.00 0.00 C ATOM 290 CG GLU A 21 1.398 -4.585 7.221 1.00 0.00 C ATOM 291 CD GLU A 21 1.231 -6.002 6.668 1.00 0.00 C ATOM 292 OE1 GLU A 21 1.757 -6.961 7.251 1.00 0.00 O ATOM 293 OE2 GLU A 21 0.524 -6.088 5.592 1.00 0.00 O ATOM 0 H GLU A 21 -1.575 -4.538 9.800 1.00 0.00 H new ATOM 0 HA GLU A 21 1.021 -5.542 9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.679 -4.717 7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.032 -3.137 8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.471 -3.875 6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.330 -4.518 7.783 1.00 0.00 H new ATOM 299 N ALA A 22 0.812 -2.674 11.027 1.00 0.00 N ATOM 300 CA ALA A 22 1.558 -1.637 11.719 1.00 0.00 C ATOM 301 C ALA A 22 2.501 -2.284 12.735 1.00 0.00 C ATOM 302 O ALA A 22 3.696 -1.993 12.750 1.00 0.00 O ATOM 303 CB ALA A 22 0.582 -0.656 12.371 1.00 0.00 C ATOM 0 H ALA A 22 -0.193 -2.665 11.200 1.00 0.00 H new ATOM 0 HA ALA A 22 2.170 -1.071 11.017 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.141 0.122 12.890 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.045 -0.202 11.603 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.047 -1.189 13.084 1.00 0.00 H new ATOM 309 N THR A 23 1.928 -3.149 13.558 1.00 0.00 N ATOM 310 CA THR A 23 2.702 -3.839 14.576 1.00 0.00 C ATOM 311 C THR A 23 3.355 -5.093 13.990 1.00 0.00 C ATOM 312 O THR A 23 4.524 -5.368 14.251 1.00 0.00 O ATOM 313 CB THR A 23 1.776 -4.132 15.758 1.00 0.00 C ATOM 314 OG1 THR A 23 2.629 -4.735 16.727 1.00 0.00 O ATOM 315 CG2 THR A 23 0.747 -5.219 15.440 1.00 0.00 C ATOM 0 H THR A 23 0.937 -3.388 13.541 1.00 0.00 H new ATOM 0 HA THR A 23 3.524 -3.220 14.935 1.00 0.00 H new ATOM 0 HB THR A 23 1.260 -3.217 16.050 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.109 -4.956 17.528 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.115 -5.388 16.312 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.129 -4.901 14.601 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.263 -6.144 15.181 1.00 0.00 H new ATOM 323 N GLN A 24 2.569 -5.820 13.208 1.00 0.00 N ATOM 324 CA GLN A 24 3.055 -7.038 12.583 1.00 0.00 C ATOM 325 C GLN A 24 4.354 -6.762 11.824 1.00 0.00 C ATOM 326 O GLN A 24 5.352 -7.455 12.019 1.00 0.00 O ATOM 327 CB GLN A 24 1.997 -7.640 11.658 1.00 0.00 C ATOM 328 CG GLN A 24 0.806 -8.171 12.460 1.00 0.00 C ATOM 329 CD GLN A 24 0.315 -9.505 11.893 1.00 0.00 C ATOM 330 OE1 GLN A 24 1.062 -10.458 11.742 1.00 0.00 O ATOM 331 NE2 GLN A 24 -0.980 -9.520 11.590 1.00 0.00 N ATOM 0 H GLN A 24 1.599 -5.588 12.993 1.00 0.00 H new ATOM 0 HA GLN A 24 3.262 -7.767 13.366 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.656 -6.885 10.950 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.437 -8.449 11.074 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.094 -8.299 13.504 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.005 -7.443 12.440 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.549 -8.687 11.741 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.404 -10.365 11.206 1.00 0.00 H new ATOM 338 N SER A 25 4.301 -5.748 10.972 1.00 0.00 N ATOM 339 CA SER A 25 5.460 -5.372 10.182 1.00 0.00 C ATOM 340 C SER A 25 6.633 -5.028 11.103 1.00 0.00 C ATOM 341 O SER A 25 6.481 -4.243 12.038 1.00 0.00 O ATOM 342 CB SER A 25 5.141 -4.191 9.264 1.00 0.00 C ATOM 343 OG SER A 25 5.020 -2.969 9.987 1.00 0.00 O ATOM 0 H SER A 25 3.472 -5.175 10.812 1.00 0.00 H new ATOM 0 HA SER A 25 5.736 -6.220 9.555 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.926 -4.092 8.514 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.212 -4.389 8.729 1.00 0.00 H new ATOM 0 HG SER A 25 4.073 -2.730 10.070 1.00 0.00 H new ATOM 348 N ILE A 26 7.774 -5.631 10.806 1.00 0.00 N ATOM 349 CA ILE A 26 8.971 -5.397 11.597 1.00 0.00 C ATOM 350 C ILE A 26 9.363 -3.922 11.498 1.00 0.00 C ATOM 351 O ILE A 26 9.761 -3.313 12.489 1.00 0.00 O ATOM 352 CB ILE A 26 10.085 -6.359 11.178 1.00 0.00 C ATOM 353 CG1 ILE A 26 10.351 -6.269 9.674 1.00 0.00 C ATOM 354 CG2 ILE A 26 9.769 -7.789 11.620 1.00 0.00 C ATOM 355 CD1 ILE A 26 11.695 -5.593 9.394 1.00 0.00 C ATOM 0 H ILE A 26 7.896 -6.281 10.029 1.00 0.00 H new ATOM 0 HA ILE A 26 8.779 -5.606 12.650 1.00 0.00 H new ATOM 0 HB ILE A 26 11.003 -6.061 11.685 1.00 0.00 H new ATOM 0 HG12 ILE A 26 10.345 -7.269 9.240 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.550 -5.708 9.192 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.576 -8.452 11.310 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.670 -7.821 12.705 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.836 -8.114 11.160 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.859 -5.542 8.318 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.689 -4.585 9.808 1.00 0.00 H new ATOM 0 HD13 ILE A 26 12.496 -6.170 9.856 1.00 0.00 H new ATOM 366 N ILE A 27 9.236 -3.388 10.291 1.00 0.00 N ATOM 367 CA ILE A 27 9.571 -1.996 10.049 1.00 0.00 C ATOM 368 C ILE A 27 8.780 -1.110 11.013 1.00 0.00 C ATOM 369 O ILE A 27 9.281 -0.086 11.475 1.00 0.00 O ATOM 370 CB ILE A 27 9.361 -1.642 8.576 1.00 0.00 C ATOM 371 CG1 ILE A 27 8.062 -2.253 8.044 1.00 0.00 C ATOM 372 CG2 ILE A 27 10.572 -2.050 7.735 1.00 0.00 C ATOM 373 CD1 ILE A 27 7.216 -1.203 7.323 1.00 0.00 C ATOM 0 H ILE A 27 8.905 -3.896 9.470 1.00 0.00 H new ATOM 0 HA ILE A 27 10.628 -1.819 10.248 1.00 0.00 H new ATOM 0 HB ILE A 27 9.264 -0.559 8.497 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.294 -3.070 7.361 1.00 0.00 H new ATOM 0 HG13 ILE A 27 7.492 -2.680 8.869 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.396 -1.787 6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.458 -1.528 8.096 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.726 -3.126 7.817 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.299 -1.664 6.955 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.965 -0.399 8.016 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.779 -0.796 6.483 1.00 0.00 H new ATOM 384 N GLY A 28 7.556 -1.537 11.289 1.00 0.00 N ATOM 385 CA GLY A 28 6.691 -0.795 12.191 1.00 0.00 C ATOM 386 C GLY A 28 6.455 0.627 11.678 1.00 0.00 C ATOM 387 O GLY A 28 7.262 1.521 11.924 1.00 0.00 O ATOM 0 H GLY A 28 7.143 -2.387 10.904 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.737 -1.312 12.293 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.141 -0.758 13.183 1.00 0.00 H new ATOM 391 N GLY A 29 5.344 0.791 10.973 1.00 0.00 N ATOM 392 CA GLY A 29 4.992 2.089 10.423 1.00 0.00 C ATOM 393 C GLY A 29 4.501 3.035 11.522 1.00 0.00 C ATOM 394 O GLY A 29 4.973 4.166 11.629 1.00 0.00 O ATOM 0 H GLY A 29 4.677 0.047 10.771 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.858 2.524 9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.216 1.969 9.667 1.00 0.00 H new ATOM 398 N MET A 30 3.559 2.536 12.309 1.00 0.00 N ATOM 399 CA MET A 30 2.998 3.323 13.395 1.00 0.00 C ATOM 400 C MET A 30 4.093 3.782 14.361 1.00 0.00 C ATOM 401 O MET A 30 4.193 4.967 14.673 1.00 0.00 O ATOM 402 CB MET A 30 1.967 2.485 14.153 1.00 0.00 C ATOM 403 CG MET A 30 0.578 2.625 13.524 1.00 0.00 C ATOM 404 SD MET A 30 -0.506 3.509 14.633 1.00 0.00 S ATOM 405 CE MET A 30 -1.899 3.782 13.550 1.00 0.00 C ATOM 0 H MET A 30 3.170 1.598 12.217 1.00 0.00 H new ATOM 0 HA MET A 30 2.520 4.206 12.970 1.00 0.00 H new ATOM 0 HB2 MET A 30 2.269 1.438 14.147 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.932 2.801 15.196 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.651 3.155 12.574 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.166 1.639 13.308 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.676 4.327 14.087 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.579 4.364 12.685 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.294 2.822 13.216 1.00 0.00 H new ATOM 413 N ILE A 31 4.885 2.819 14.808 1.00 0.00 N ATOM 414 CA ILE A 31 5.968 3.109 15.732 1.00 0.00 C ATOM 415 C ILE A 31 6.864 4.198 15.136 1.00 0.00 C ATOM 416 O ILE A 31 7.105 5.223 15.769 1.00 0.00 O ATOM 417 CB ILE A 31 6.719 1.827 16.097 1.00 0.00 C ATOM 418 CG1 ILE A 31 7.846 2.116 17.092 1.00 0.00 C ATOM 419 CG2 ILE A 31 7.229 1.114 14.844 1.00 0.00 C ATOM 420 CD1 ILE A 31 8.629 0.843 17.418 1.00 0.00 C ATOM 0 H ILE A 31 4.798 1.837 14.547 1.00 0.00 H new ATOM 0 HA ILE A 31 5.573 3.498 16.671 1.00 0.00 H new ATOM 0 HB ILE A 31 6.020 1.151 16.589 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.520 2.865 16.676 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.429 2.535 18.008 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.759 0.206 15.132 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.385 0.854 14.204 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.907 1.773 14.301 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.424 1.076 18.127 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.957 0.105 17.856 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.065 0.440 16.504 1.00 0.00 H new ATOM 431 N SER A 32 7.332 3.935 13.925 1.00 0.00 N ATOM 432 CA SER A 32 8.196 4.880 13.236 1.00 0.00 C ATOM 433 C SER A 32 7.672 6.304 13.429 1.00 0.00 C ATOM 434 O SER A 32 8.455 7.246 13.542 1.00 0.00 O ATOM 435 CB SER A 32 8.295 4.549 11.745 1.00 0.00 C ATOM 436 OG SER A 32 9.505 5.034 11.170 1.00 0.00 O ATOM 0 H SER A 32 7.130 3.082 13.403 1.00 0.00 H new ATOM 0 HA SER A 32 9.195 4.806 13.665 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.236 3.469 11.609 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.444 4.983 11.220 1.00 0.00 H new ATOM 0 HG SER A 32 9.531 4.801 10.218 1.00 0.00 H new ATOM 441 N GLY A 33 6.353 6.417 13.462 1.00 0.00 N ATOM 442 CA GLY A 33 5.716 7.711 13.640 1.00 0.00 C ATOM 443 C GLY A 33 5.890 8.215 15.075 1.00 0.00 C ATOM 444 O GLY A 33 6.167 9.393 15.294 1.00 0.00 O ATOM 0 H GLY A 33 5.707 5.633 13.368 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.146 8.431 12.943 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.655 7.633 13.404 1.00 0.00 H new ATOM 448 N TRP A 34 5.719 7.297 16.015 1.00 0.00 N ATOM 449 CA TRP A 34 5.854 7.633 17.422 1.00 0.00 C ATOM 450 C TRP A 34 7.235 8.256 17.630 1.00 0.00 C ATOM 451 O TRP A 34 7.354 9.331 18.216 1.00 0.00 O ATOM 452 CB TRP A 34 5.613 6.405 18.304 1.00 0.00 C ATOM 453 CG TRP A 34 5.433 6.732 19.788 1.00 0.00 C ATOM 454 CD1 TRP A 34 4.626 7.648 20.340 1.00 0.00 C ATOM 455 CD2 TRP A 34 6.112 6.102 20.895 1.00 0.00 C ATOM 456 NE1 TRP A 34 4.734 7.656 21.716 1.00 0.00 N ATOM 457 CE2 TRP A 34 5.666 6.686 22.064 1.00 0.00 C ATOM 458 CE3 TRP A 34 7.071 5.074 20.909 1.00 0.00 C ATOM 459 CZ2 TRP A 34 6.124 6.307 23.332 1.00 0.00 C ATOM 460 CZ3 TRP A 34 7.518 4.709 22.183 1.00 0.00 C ATOM 461 CH2 TRP A 34 7.080 5.286 23.370 1.00 0.00 C ATOM 0 H TRP A 34 5.488 6.321 15.830 1.00 0.00 H new ATOM 0 HA TRP A 34 5.097 8.359 17.719 1.00 0.00 H new ATOM 0 HB2 TRP A 34 4.726 5.882 17.947 1.00 0.00 H new ATOM 0 HB3 TRP A 34 6.453 5.719 18.193 1.00 0.00 H new ATOM 0 HD1 TRP A 34 3.972 8.299 19.778 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.224 8.262 22.359 1.00 0.00 H new ATOM 0 HE3 TRP A 34 7.434 4.603 20.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 5.759 6.778 24.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.256 3.923 22.250 1.00 0.00 H new ATOM 0 HH2 TRP A 34 7.476 4.948 24.316 1.00 0.00 H new ATOM 471 N ALA A 35 8.246 7.554 17.137 1.00 0.00 N ATOM 472 CA ALA A 35 9.614 8.025 17.261 1.00 0.00 C ATOM 473 C ALA A 35 9.788 9.300 16.433 1.00 0.00 C ATOM 474 O ALA A 35 10.532 10.200 16.819 1.00 0.00 O ATOM 475 CB ALA A 35 10.577 6.916 16.832 1.00 0.00 C ATOM 0 H ALA A 35 8.144 6.663 16.651 1.00 0.00 H new ATOM 0 HA ALA A 35 9.842 8.272 18.298 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.604 7.270 16.925 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.434 6.044 17.470 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.380 6.644 15.795 1.00 0.00 H new ATOM 481 N SER A 36 9.089 9.335 15.308 1.00 0.00 N ATOM 482 CA SER A 36 9.156 10.485 14.421 1.00 0.00 C ATOM 483 C SER A 36 8.565 11.715 15.113 1.00 0.00 C ATOM 484 O SER A 36 9.028 12.834 14.899 1.00 0.00 O ATOM 485 CB SER A 36 8.421 10.211 13.107 1.00 0.00 C ATOM 486 OG SER A 36 8.641 11.241 12.148 1.00 0.00 O ATOM 0 H SER A 36 8.474 8.586 14.990 1.00 0.00 H new ATOM 0 HA SER A 36 10.203 10.676 14.187 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.754 9.257 12.697 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.352 10.119 13.302 1.00 0.00 H new ATOM 0 HG SER A 36 8.157 11.029 11.323 1.00 0.00 H new ATOM 491 N GLY A 37 7.551 11.465 15.928 1.00 0.00 N ATOM 492 CA GLY A 37 6.891 12.539 16.652 1.00 0.00 C ATOM 493 C GLY A 37 7.765 13.041 17.803 1.00 0.00 C ATOM 494 O GLY A 37 7.975 14.245 17.950 1.00 0.00 O ATOM 0 H GLY A 37 7.170 10.535 16.103 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.673 13.361 15.971 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.936 12.186 17.042 1.00 0.00 H new ATOM 498 N LEU A 38 8.253 12.094 18.591 1.00 0.00 N ATOM 499 CA LEU A 38 9.099 12.425 19.724 1.00 0.00 C ATOM 500 C LEU A 38 10.296 13.246 19.239 1.00 0.00 C ATOM 501 O LEU A 38 10.585 14.310 19.783 1.00 0.00 O ATOM 502 CB LEU A 38 9.492 11.158 20.489 1.00 0.00 C ATOM 503 CG LEU A 38 8.337 10.254 20.924 1.00 0.00 C ATOM 504 CD1 LEU A 38 8.762 8.784 20.925 1.00 0.00 C ATOM 505 CD2 LEU A 38 7.780 10.690 22.281 1.00 0.00 C ATOM 0 H LEU A 38 8.078 11.097 18.467 1.00 0.00 H new ATOM 0 HA LEU A 38 8.555 13.044 20.437 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.169 10.575 19.864 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.052 11.452 21.377 1.00 0.00 H new ATOM 0 HG LEU A 38 7.531 10.356 20.197 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.923 8.163 21.238 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.073 8.495 19.921 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.593 8.646 21.617 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.960 10.031 22.567 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.568 10.636 23.032 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.415 11.715 22.212 1.00 0.00 H new ATOM 516 N ALA A 39 10.959 12.719 18.220 1.00 0.00 N ATOM 517 CA ALA A 39 12.118 13.389 17.654 1.00 0.00 C ATOM 518 C ALA A 39 11.684 14.725 17.048 1.00 0.00 C ATOM 519 O ALA A 39 12.487 15.650 16.935 1.00 0.00 O ATOM 520 CB ALA A 39 12.789 12.473 16.629 1.00 0.00 C ATOM 0 H ALA A 39 10.716 11.836 17.772 1.00 0.00 H new ATOM 0 HA ALA A 39 12.854 13.603 18.429 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.658 12.976 16.205 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.106 11.551 17.117 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.082 12.238 15.833 1.00 0.00 H new ATOM 526 N GLY A 40 10.414 14.784 16.674 1.00 0.00 N ATOM 527 CA GLY A 40 9.863 15.991 16.081 1.00 0.00 C ATOM 528 C GLY A 40 9.634 17.067 17.144 1.00 0.00 C ATOM 529 O GLY A 40 8.500 17.488 17.371 1.00 0.00 O ATOM 0 H GLY A 40 9.751 14.015 16.770 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.543 16.368 15.317 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.921 15.759 15.584 1.00 0.00 H new ATOM 533 N MET A 41 10.727 17.482 17.768 1.00 0.00 N ATOM 534 CA MET A 41 10.659 18.501 18.800 1.00 0.00 C ATOM 535 C MET A 41 9.521 18.211 19.783 1.00 0.00 C ATOM 536 O MET A 41 9.148 17.055 19.981 1.00 0.00 O ATOM 537 CB MET A 41 10.438 19.870 18.154 1.00 0.00 C ATOM 538 CG MET A 41 11.755 20.449 17.633 1.00 0.00 C ATOM 539 SD MET A 41 12.242 21.849 18.627 1.00 0.00 S ATOM 540 CE MET A 41 11.351 23.149 17.789 1.00 0.00 C ATOM 0 H MET A 41 11.665 17.130 17.578 1.00 0.00 H new ATOM 0 HA MET A 41 11.600 18.497 19.350 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.727 19.778 17.333 1.00 0.00 H new ATOM 0 HB3 MET A 41 9.999 20.553 18.881 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.533 19.686 17.659 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.642 20.753 16.592 1.00 0.00 H new ATOM 0 HE1 MET A 41 11.544 24.100 18.284 1.00 0.00 H new ATOM 0 HE2 MET A 41 11.681 23.206 16.752 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.283 22.935 17.819 1.00 0.00 H new TER 548 MET A 41