USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 248 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 ASN :FLIP amide:sc= -8! C(o=-16!,f=-8.6!) USER MOD Set 1.2: A 12 ASN : amide:sc= -0.359 K(o=-8.6,f=-16!) USER MOD Set 1.3: A 13 LYS NZ :NH3+ -101:sc= -0.0955 (180deg=-0.437) USER MOD Set 1.4: A 14 LYS NZ :NH3+ -171:sc= -0.0988 (180deg=-0.298) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 93:sc= -0.288! USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -1.06! C(o=-2.2!,f=-1.1!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.162 K(o=-0.16,f=-0.83) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.768 K(o=-0.77,f=-2.8!) USER MOD Single : A 25 SER OG : rot 180:sc= -1.16 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 -154:sc= -0.0972 (180deg=-0.429) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.480 -1.689 3.425 1.00 0.00 N ATOM 2 CA ALA A 1 -14.418 -2.512 4.169 1.00 0.00 C ATOM 3 C ALA A 1 -13.731 -3.814 4.584 1.00 0.00 C ATOM 4 O ALA A 1 -13.932 -4.854 3.958 1.00 0.00 O ATOM 5 CB ALA A 1 -15.667 -2.757 3.321 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.945 -0.803 3.142 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.657 -1.473 4.024 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.165 -2.202 2.577 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.736 -2.003 5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.371 -3.374 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.135 -1.803 3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.387 -3.268 2.400 1.00 0.00 H new ATOM 11 N ARG A 2 -12.934 -3.715 5.638 1.00 0.00 N ATOM 12 CA ARG A 2 -12.215 -4.872 6.144 1.00 0.00 C ATOM 13 C ARG A 2 -13.134 -5.725 7.022 1.00 0.00 C ATOM 14 O ARG A 2 -13.608 -6.775 6.592 1.00 0.00 O ATOM 15 CB ARG A 2 -10.992 -4.447 6.960 1.00 0.00 C ATOM 16 CG ARG A 2 -9.775 -4.244 6.057 1.00 0.00 C ATOM 17 CD ARG A 2 -8.947 -3.042 6.517 1.00 0.00 C ATOM 18 NE ARG A 2 -8.488 -2.265 5.344 1.00 0.00 N ATOM 19 CZ ARG A 2 -7.661 -2.741 4.404 1.00 0.00 C ATOM 20 NH1 ARG A 2 -7.196 -3.995 4.493 1.00 0.00 N ATOM 21 NH2 ARG A 2 -7.298 -1.963 3.374 1.00 0.00 N ATOM 0 H ARG A 2 -12.770 -2.851 6.155 1.00 0.00 H new ATOM 0 HA ARG A 2 -11.880 -5.456 5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.211 -3.523 7.495 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.770 -5.205 7.711 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.157 -5.142 6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.102 -4.093 5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.544 -2.408 7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.089 -3.382 7.097 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.823 -1.307 5.245 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.472 -4.587 5.277 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.566 -4.357 3.777 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.652 -1.009 3.306 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.668 -2.326 2.658 1.00 0.00 H new ATOM 32 N SER A 3 -13.358 -5.241 8.235 1.00 0.00 N ATOM 33 CA SER A 3 -14.211 -5.947 9.176 1.00 0.00 C ATOM 34 C SER A 3 -13.410 -7.033 9.896 1.00 0.00 C ATOM 35 O SER A 3 -13.467 -8.203 9.519 1.00 0.00 O ATOM 36 CB SER A 3 -15.422 -6.559 8.469 1.00 0.00 C ATOM 37 OG SER A 3 -15.802 -5.813 7.316 1.00 0.00 O ATOM 0 H SER A 3 -12.964 -4.369 8.588 1.00 0.00 H new ATOM 0 HA SER A 3 -14.578 -5.230 9.910 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.192 -7.584 8.178 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.261 -6.606 9.163 1.00 0.00 H new ATOM 0 HG SER A 3 -15.356 -6.183 6.526 1.00 0.00 H new ATOM 42 N TYR A 4 -12.683 -6.609 10.918 1.00 0.00 N ATOM 43 CA TYR A 4 -11.871 -7.532 11.694 1.00 0.00 C ATOM 44 C TYR A 4 -12.330 -7.571 13.152 1.00 0.00 C ATOM 45 O TYR A 4 -12.670 -8.633 13.672 1.00 0.00 O ATOM 46 CB TYR A 4 -10.443 -6.989 11.635 1.00 0.00 C ATOM 47 CG TYR A 4 -9.504 -7.801 10.739 1.00 0.00 C ATOM 48 CD1 TYR A 4 -8.987 -8.999 11.188 1.00 0.00 C ATOM 49 CD2 TYR A 4 -9.176 -7.334 9.482 1.00 0.00 C ATOM 50 CE1 TYR A 4 -8.104 -9.763 10.345 1.00 0.00 C ATOM 51 CE2 TYR A 4 -8.294 -8.098 8.639 1.00 0.00 C ATOM 52 CZ TYR A 4 -7.801 -9.275 9.112 1.00 0.00 C ATOM 53 OH TYR A 4 -6.967 -9.996 8.315 1.00 0.00 O ATOM 0 H TYR A 4 -12.639 -5.638 11.228 1.00 0.00 H new ATOM 0 HA TYR A 4 -11.950 -8.543 11.294 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -10.471 -5.960 11.276 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.033 -6.963 12.645 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -9.244 -9.364 12.171 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.581 -6.396 9.131 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.692 -10.702 10.684 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -8.029 -7.745 7.653 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.841 -9.527 7.464 1.00 0.00 H new ATOM 62 N GLY A 5 -12.325 -6.400 13.774 1.00 0.00 N ATOM 63 CA GLY A 5 -12.735 -6.289 15.163 1.00 0.00 C ATOM 64 C GLY A 5 -13.633 -5.067 15.371 1.00 0.00 C ATOM 65 O GLY A 5 -14.424 -4.717 14.498 1.00 0.00 O ATOM 0 H GLY A 5 -12.043 -5.521 13.341 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.267 -7.192 15.463 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.855 -6.211 15.801 1.00 0.00 H new ATOM 69 N ASN A 6 -13.481 -4.453 16.536 1.00 0.00 N ATOM 70 CA ASN A 6 -14.268 -3.278 16.870 1.00 0.00 C ATOM 71 C ASN A 6 -13.637 -2.045 16.223 1.00 0.00 C ATOM 72 O ASN A 6 -13.080 -1.193 16.914 1.00 0.00 O ATOM 73 CB ASN A 6 -14.303 -3.052 18.384 1.00 0.00 C ATOM 74 CG ASN A 6 -14.886 -1.678 18.719 1.00 0.00 C ATOM 75 OD1 ASN A 6 -15.876 -1.300 17.916 1.00 0.00 O flip ATOM 76 ND2 ASN A 6 -14.465 -1.005 19.647 1.00 0.00 N flip ATOM 0 H ASN A 6 -12.825 -4.747 17.260 1.00 0.00 H new ATOM 0 HA ASN A 6 -15.283 -3.437 16.504 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -14.901 -3.830 18.858 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -13.295 -3.133 18.791 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -13.701 -1.355 20.225 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -14.877 -0.093 19.844 1.00 0.00 H new ATOM 82 N GLY A 7 -13.743 -1.989 14.903 1.00 0.00 N ATOM 83 CA GLY A 7 -13.189 -0.874 14.155 1.00 0.00 C ATOM 84 C GLY A 7 -11.823 -1.233 13.566 1.00 0.00 C ATOM 85 O GLY A 7 -10.978 -1.804 14.253 1.00 0.00 O ATOM 0 H GLY A 7 -14.204 -2.698 14.333 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.872 -0.594 13.353 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.091 -0.007 14.808 1.00 0.00 H new ATOM 89 N VAL A 8 -11.650 -0.883 12.300 1.00 0.00 N ATOM 90 CA VAL A 8 -10.401 -1.161 11.611 1.00 0.00 C ATOM 91 C VAL A 8 -10.245 -0.193 10.436 1.00 0.00 C ATOM 92 O VAL A 8 -9.594 0.843 10.563 1.00 0.00 O ATOM 93 CB VAL A 8 -10.355 -2.630 11.185 1.00 0.00 C ATOM 94 CG1 VAL A 8 -11.745 -3.129 10.788 1.00 0.00 C ATOM 95 CG2 VAL A 8 -9.350 -2.840 10.050 1.00 0.00 C ATOM 0 H VAL A 8 -12.354 -0.409 11.733 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.553 -1.002 12.278 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.021 -3.217 12.040 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.684 -4.176 10.489 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.422 -3.032 11.637 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.120 -2.535 9.955 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.337 -3.892 9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.640 -2.236 9.191 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.356 -2.542 10.384 1.00 0.00 H new ATOM 105 N TYR A 9 -10.854 -0.564 9.320 1.00 0.00 N ATOM 106 CA TYR A 9 -10.790 0.258 8.124 1.00 0.00 C ATOM 107 C TYR A 9 -10.894 1.744 8.474 1.00 0.00 C ATOM 108 O TYR A 9 -10.175 2.570 7.912 1.00 0.00 O ATOM 109 CB TYR A 9 -11.999 -0.138 7.274 1.00 0.00 C ATOM 110 CG TYR A 9 -13.283 -0.352 8.081 1.00 0.00 C ATOM 111 CD1 TYR A 9 -14.066 0.729 8.430 1.00 0.00 C ATOM 112 CD2 TYR A 9 -13.657 -1.626 8.457 1.00 0.00 C ATOM 113 CE1 TYR A 9 -15.273 0.528 9.188 1.00 0.00 C ATOM 114 CE2 TYR A 9 -14.864 -1.827 9.215 1.00 0.00 C ATOM 115 CZ TYR A 9 -15.613 -0.740 9.544 1.00 0.00 C ATOM 116 OH TYR A 9 -16.754 -0.930 10.260 1.00 0.00 O ATOM 0 H TYR A 9 -11.394 -1.423 9.219 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.845 0.105 7.604 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -12.176 0.637 6.528 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -11.765 -1.055 6.732 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -13.773 1.726 8.135 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -13.044 -2.472 8.183 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -15.895 1.365 9.468 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -15.168 -2.819 9.516 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.871 -1.886 10.442 1.00 0.00 H new ATOM 125 N CYS A 10 -11.794 2.040 9.400 1.00 0.00 N ATOM 126 CA CYS A 10 -12.001 3.412 9.833 1.00 0.00 C ATOM 127 C CYS A 10 -12.584 3.388 11.247 1.00 0.00 C ATOM 128 O CYS A 10 -13.355 2.492 11.588 1.00 0.00 O ATOM 129 CB CYS A 10 -12.895 4.183 8.859 1.00 0.00 C ATOM 130 SG CYS A 10 -12.277 4.249 7.138 1.00 0.00 S ATOM 0 H CYS A 10 -12.389 1.353 9.863 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.048 3.940 9.844 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -13.885 3.727 8.857 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.015 5.202 9.227 1.00 0.00 H new ATOM 134 N ASN A 11 -12.193 4.381 12.030 1.00 0.00 N ATOM 135 CA ASN A 11 -12.669 4.485 13.400 1.00 0.00 C ATOM 136 C ASN A 11 -14.197 4.551 13.401 1.00 0.00 C ATOM 137 O ASN A 11 -14.860 3.651 13.916 1.00 0.00 O ATOM 138 CB ASN A 11 -12.140 5.756 14.071 1.00 0.00 C ATOM 139 CG ASN A 11 -12.253 5.657 15.593 1.00 0.00 C ATOM 140 OD1 ASN A 11 -12.557 6.808 16.188 1.00 0.00 O flip ATOM 141 ND2 ASN A 11 -12.075 4.608 16.189 1.00 0.00 N flip ATOM 0 H ASN A 11 -11.552 5.121 11.743 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.314 3.612 13.948 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.099 5.915 13.789 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.702 6.620 13.716 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.844 3.760 15.671 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.157 4.579 17.205 1.00 0.00 H new ATOM 147 N ASN A 12 -14.712 5.624 12.820 1.00 0.00 N ATOM 148 CA ASN A 12 -16.150 5.818 12.747 1.00 0.00 C ATOM 149 C ASN A 12 -16.458 6.968 11.787 1.00 0.00 C ATOM 150 O ASN A 12 -17.075 6.762 10.743 1.00 0.00 O ATOM 151 CB ASN A 12 -16.727 6.179 14.118 1.00 0.00 C ATOM 152 CG ASN A 12 -15.716 6.973 14.946 1.00 0.00 C ATOM 153 OD1 ASN A 12 -15.522 8.163 14.764 1.00 0.00 O ATOM 154 ND2 ASN A 12 -15.082 6.249 15.865 1.00 0.00 N ATOM 0 H ASN A 12 -14.159 6.368 12.395 1.00 0.00 H new ATOM 0 HA ASN A 12 -16.598 4.887 12.400 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.638 6.764 13.991 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -17.004 5.269 14.651 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.386 6.687 16.469 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.292 5.256 15.966 1.00 0.00 H new ATOM 160 N LYS A 13 -16.014 8.155 12.174 1.00 0.00 N ATOM 161 CA LYS A 13 -16.234 9.338 11.361 1.00 0.00 C ATOM 162 C LYS A 13 -14.983 9.618 10.525 1.00 0.00 C ATOM 163 O LYS A 13 -15.073 10.175 9.433 1.00 0.00 O ATOM 164 CB LYS A 13 -16.665 10.517 12.236 1.00 0.00 C ATOM 165 CG LYS A 13 -15.549 10.921 13.200 1.00 0.00 C ATOM 166 CD LYS A 13 -14.955 12.278 12.815 1.00 0.00 C ATOM 167 CE LYS A 13 -14.757 13.160 14.049 1.00 0.00 C ATOM 168 NZ LYS A 13 -13.729 12.581 14.943 1.00 0.00 N ATOM 0 H LYS A 13 -15.503 8.322 13.041 1.00 0.00 H new ATOM 0 HA LYS A 13 -17.054 9.172 10.662 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.930 11.365 11.605 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -17.558 10.248 12.800 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.940 10.967 14.216 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.766 10.163 13.194 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.999 12.131 12.312 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.614 12.780 12.107 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.457 14.162 13.742 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.700 13.260 14.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.193 12.092 15.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.148 11.903 14.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.123 13.341 15.313 1.00 0.00 H new ATOM 178 N LYS A 14 -13.844 9.218 11.073 1.00 0.00 N ATOM 179 CA LYS A 14 -12.576 9.418 10.391 1.00 0.00 C ATOM 180 C LYS A 14 -12.286 8.210 9.498 1.00 0.00 C ATOM 181 O LYS A 14 -13.208 7.546 9.027 1.00 0.00 O ATOM 182 CB LYS A 14 -11.466 9.717 11.402 1.00 0.00 C ATOM 183 CG LYS A 14 -11.890 10.822 12.371 1.00 0.00 C ATOM 184 CD LYS A 14 -10.798 11.092 13.408 1.00 0.00 C ATOM 185 CE LYS A 14 -10.685 9.932 14.399 1.00 0.00 C ATOM 186 NZ LYS A 14 -11.882 9.874 15.268 1.00 0.00 N ATOM 0 H LYS A 14 -13.773 8.757 11.980 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.626 10.291 9.740 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.224 8.812 11.960 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.561 10.018 10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.103 11.735 11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.812 10.534 12.876 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.842 11.240 12.905 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.021 12.014 13.945 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.576 8.992 13.857 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.790 10.054 15.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.725 9.184 16.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.057 10.812 15.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.707 9.585 14.704 1.00 0.00 H new ATOM 196 N CYS A 15 -11.001 7.964 9.290 1.00 0.00 N ATOM 197 CA CYS A 15 -10.577 6.848 8.462 1.00 0.00 C ATOM 198 C CYS A 15 -9.064 6.679 8.620 1.00 0.00 C ATOM 199 O CYS A 15 -8.304 7.620 8.398 1.00 0.00 O ATOM 200 CB CYS A 15 -10.980 7.046 6.998 1.00 0.00 C ATOM 201 SG CYS A 15 -12.477 6.128 6.484 1.00 0.00 S ATOM 0 H CYS A 15 -10.239 8.519 9.681 1.00 0.00 H new ATOM 0 HA CYS A 15 -11.079 5.937 8.789 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -11.144 8.109 6.821 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.148 6.742 6.362 1.00 0.00 H new ATOM 205 N TRP A 16 -8.674 5.472 9.002 1.00 0.00 N ATOM 206 CA TRP A 16 -7.266 5.167 9.193 1.00 0.00 C ATOM 207 C TRP A 16 -7.007 3.763 8.644 1.00 0.00 C ATOM 208 O TRP A 16 -7.858 3.192 7.963 1.00 0.00 O ATOM 209 CB TRP A 16 -6.866 5.318 10.662 1.00 0.00 C ATOM 210 CG TRP A 16 -7.702 4.472 11.625 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.092 3.199 11.477 1.00 0.00 C ATOM 212 CD2 TRP A 16 -8.237 4.893 12.897 1.00 0.00 C ATOM 213 NE1 TRP A 16 -8.837 2.769 12.556 1.00 0.00 N ATOM 214 CE2 TRP A 16 -8.928 3.832 13.447 1.00 0.00 C ATOM 215 CE3 TRP A 16 -8.140 6.128 13.561 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -9.575 3.900 14.687 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -8.793 6.180 14.798 1.00 0.00 C ATOM 218 CH2 TRP A 16 -9.492 5.121 15.366 1.00 0.00 C ATOM 0 H TRP A 16 -9.308 4.694 9.184 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.641 5.874 8.648 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.817 5.045 10.772 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -6.954 6.367 10.946 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.853 2.586 10.620 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.245 1.842 12.677 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -7.604 6.970 13.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.109 3.056 15.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -8.751 7.108 15.350 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -9.969 5.240 16.328 1.00 0.00 H new ATOM 228 N VAL A 17 -5.829 3.245 8.961 1.00 0.00 N ATOM 229 CA VAL A 17 -5.448 1.919 8.508 1.00 0.00 C ATOM 230 C VAL A 17 -5.030 1.074 9.713 1.00 0.00 C ATOM 231 O VAL A 17 -4.091 1.427 10.427 1.00 0.00 O ATOM 232 CB VAL A 17 -4.355 2.023 7.442 1.00 0.00 C ATOM 233 CG1 VAL A 17 -3.537 0.732 7.368 1.00 0.00 C ATOM 234 CG2 VAL A 17 -4.953 2.374 6.078 1.00 0.00 C ATOM 0 H VAL A 17 -5.126 3.721 9.527 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.294 1.418 8.038 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.681 2.830 7.730 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.767 0.832 6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.067 0.543 8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.193 -0.101 7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.156 2.442 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.659 1.599 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.470 3.331 6.143 1.00 0.00 H new ATOM 244 N ASN A 18 -5.745 -0.024 9.903 1.00 0.00 N ATOM 245 CA ASN A 18 -5.459 -0.922 11.010 1.00 0.00 C ATOM 246 C ASN A 18 -5.627 -0.167 12.329 1.00 0.00 C ATOM 247 O ASN A 18 -4.840 0.725 12.642 1.00 0.00 O ATOM 248 CB ASN A 18 -4.021 -1.441 10.940 1.00 0.00 C ATOM 249 CG ASN A 18 -3.990 -2.971 10.943 1.00 0.00 C ATOM 250 OD1 ASN A 18 -4.855 -3.636 10.400 1.00 0.00 O ATOM 251 ND2 ASN A 18 -2.946 -3.489 11.584 1.00 0.00 N ATOM 0 H ASN A 18 -6.522 -0.313 9.309 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.149 -1.764 10.950 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.539 -1.066 10.038 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.451 -1.060 11.788 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.834 -4.501 11.642 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.257 -2.874 12.017 1.00 0.00 H new ATOM 257 N ARG A 19 -6.657 -0.553 13.068 1.00 0.00 N ATOM 258 CA ARG A 19 -6.937 0.076 14.347 1.00 0.00 C ATOM 259 C ARG A 19 -5.719 -0.026 15.268 1.00 0.00 C ATOM 260 O ARG A 19 -5.520 0.821 16.138 1.00 0.00 O ATOM 261 CB ARG A 19 -8.140 -0.577 15.031 1.00 0.00 C ATOM 262 CG ARG A 19 -9.326 0.389 15.092 1.00 0.00 C ATOM 263 CD ARG A 19 -10.061 0.269 16.428 1.00 0.00 C ATOM 264 NE ARG A 19 -10.404 -1.147 16.693 1.00 0.00 N ATOM 265 CZ ARG A 19 -10.715 -1.631 17.902 1.00 0.00 C ATOM 266 NH1 ARG A 19 -10.730 -0.818 18.966 1.00 0.00 N ATOM 267 NH2 ARG A 19 -11.013 -2.931 18.048 1.00 0.00 N ATOM 0 H ARG A 19 -7.307 -1.293 12.805 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.166 1.124 14.157 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.427 -1.478 14.488 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.866 -0.887 16.040 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.974 1.412 14.957 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.014 0.178 14.274 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.436 0.657 17.232 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.968 0.874 16.409 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.403 -1.794 15.905 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.504 0.171 18.856 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.967 -1.187 19.887 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.003 -3.551 17.238 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.250 -3.300 18.969 1.00 0.00 H new ATOM 278 N GLY A 20 -4.935 -1.070 15.045 1.00 0.00 N ATOM 279 CA GLY A 20 -3.742 -1.295 15.844 1.00 0.00 C ATOM 280 C GLY A 20 -2.890 -0.026 15.924 1.00 0.00 C ATOM 281 O GLY A 20 -2.935 0.693 16.921 1.00 0.00 O ATOM 0 H GLY A 20 -5.102 -1.770 14.322 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.026 -1.611 16.848 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.156 -2.105 15.409 1.00 0.00 H new ATOM 285 N GLU A 21 -2.135 0.208 14.862 1.00 0.00 N ATOM 286 CA GLU A 21 -1.273 1.377 14.800 1.00 0.00 C ATOM 287 C GLU A 21 -2.063 2.637 15.158 1.00 0.00 C ATOM 288 O GLU A 21 -1.524 3.558 15.771 1.00 0.00 O ATOM 289 CB GLU A 21 -0.626 1.508 13.420 1.00 0.00 C ATOM 290 CG GLU A 21 -1.689 1.598 12.322 1.00 0.00 C ATOM 291 CD GLU A 21 -1.049 1.881 10.962 1.00 0.00 C ATOM 292 OE1 GLU A 21 -0.801 0.944 10.187 1.00 0.00 O ATOM 293 OE2 GLU A 21 -0.810 3.124 10.718 1.00 0.00 O ATOM 0 H GLU A 21 -2.102 -0.391 14.037 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.472 1.254 15.529 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.006 2.396 13.393 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.021 0.651 13.235 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.250 0.665 12.277 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.401 2.387 12.564 1.00 0.00 H new ATOM 299 N ALA A 22 -3.327 2.639 14.761 1.00 0.00 N ATOM 300 CA ALA A 22 -4.195 3.771 15.031 1.00 0.00 C ATOM 301 C ALA A 22 -4.233 4.030 16.539 1.00 0.00 C ATOM 302 O ALA A 22 -4.068 5.167 16.981 1.00 0.00 O ATOM 303 CB ALA A 22 -5.586 3.499 14.453 1.00 0.00 C ATOM 0 H ALA A 22 -3.771 1.873 14.254 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.812 4.671 14.550 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.237 4.349 14.656 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.510 3.350 13.376 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.003 2.604 14.915 1.00 0.00 H new ATOM 309 N THR A 23 -4.450 2.958 17.286 1.00 0.00 N ATOM 310 CA THR A 23 -4.510 3.056 18.735 1.00 0.00 C ATOM 311 C THR A 23 -3.149 3.468 19.299 1.00 0.00 C ATOM 312 O THR A 23 -3.073 4.311 20.191 1.00 0.00 O ATOM 313 CB THR A 23 -5.013 1.717 19.279 1.00 0.00 C ATOM 314 OG1 THR A 23 -6.427 1.789 19.125 1.00 0.00 O ATOM 315 CG2 THR A 23 -4.808 1.584 20.789 1.00 0.00 C ATOM 0 H THR A 23 -4.586 2.017 16.916 1.00 0.00 H new ATOM 0 HA THR A 23 -5.206 3.834 19.050 1.00 0.00 H new ATOM 0 HB THR A 23 -4.498 0.902 18.770 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.834 0.960 19.452 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.182 0.616 21.123 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.746 1.662 21.020 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.350 2.379 21.301 1.00 0.00 H new ATOM 323 N GLN A 24 -2.109 2.855 18.755 1.00 0.00 N ATOM 324 CA GLN A 24 -0.754 3.148 19.193 1.00 0.00 C ATOM 325 C GLN A 24 -0.518 4.659 19.210 1.00 0.00 C ATOM 326 O GLN A 24 -0.254 5.238 20.263 1.00 0.00 O ATOM 327 CB GLN A 24 0.273 2.442 18.306 1.00 0.00 C ATOM 328 CG GLN A 24 0.111 0.922 18.381 1.00 0.00 C ATOM 329 CD GLN A 24 0.592 0.386 19.731 1.00 0.00 C ATOM 330 OE1 GLN A 24 0.030 0.667 20.776 1.00 0.00 O ATOM 331 NE2 GLN A 24 1.662 -0.401 19.649 1.00 0.00 N ATOM 0 H GLN A 24 -2.176 2.156 18.015 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.630 2.769 20.207 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.156 2.773 17.274 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.280 2.720 18.618 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.936 0.656 18.232 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.677 0.452 17.576 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.084 -0.595 18.741 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.060 -0.810 20.494 1.00 0.00 H new ATOM 338 N SER A 25 -0.620 5.256 18.032 1.00 0.00 N ATOM 339 CA SER A 25 -0.420 6.689 17.898 1.00 0.00 C ATOM 340 C SER A 25 -1.615 7.320 17.183 1.00 0.00 C ATOM 341 O SER A 25 -2.144 6.751 16.229 1.00 0.00 O ATOM 342 CB SER A 25 0.874 6.997 17.141 1.00 0.00 C ATOM 343 OG SER A 25 1.064 6.122 16.031 1.00 0.00 O ATOM 0 H SER A 25 -0.839 4.773 17.161 1.00 0.00 H new ATOM 0 HA SER A 25 -0.335 7.116 18.897 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.852 8.029 16.790 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.721 6.910 17.821 1.00 0.00 H new ATOM 0 HG SER A 25 1.899 6.352 15.573 1.00 0.00 H new ATOM 348 N ILE A 26 -2.009 8.487 17.673 1.00 0.00 N ATOM 349 CA ILE A 26 -3.132 9.201 17.092 1.00 0.00 C ATOM 350 C ILE A 26 -2.738 9.728 15.710 1.00 0.00 C ATOM 351 O ILE A 26 -3.460 9.525 14.736 1.00 0.00 O ATOM 352 CB ILE A 26 -3.626 10.290 18.048 1.00 0.00 C ATOM 353 CG1 ILE A 26 -4.305 9.676 19.273 1.00 0.00 C ATOM 354 CG2 ILE A 26 -4.539 11.282 17.324 1.00 0.00 C ATOM 355 CD1 ILE A 26 -3.964 10.463 20.541 1.00 0.00 C ATOM 0 H ILE A 26 -1.570 8.955 18.466 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.977 8.528 16.947 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.761 10.849 18.405 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.385 9.665 19.127 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.988 8.639 19.388 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.876 12.045 18.026 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.990 11.755 16.510 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.403 10.754 16.920 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.459 10.006 21.397 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.885 10.452 20.697 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.304 11.493 20.433 1.00 0.00 H new ATOM 366 N ILE A 27 -1.594 10.394 15.671 1.00 0.00 N ATOM 367 CA ILE A 27 -1.095 10.952 14.425 1.00 0.00 C ATOM 368 C ILE A 27 -0.616 9.816 13.519 1.00 0.00 C ATOM 369 O ILE A 27 -0.774 9.881 12.301 1.00 0.00 O ATOM 370 CB ILE A 27 -0.026 12.011 14.702 1.00 0.00 C ATOM 371 CG1 ILE A 27 0.992 11.506 15.727 1.00 0.00 C ATOM 372 CG2 ILE A 27 -0.663 13.334 15.130 1.00 0.00 C ATOM 373 CD1 ILE A 27 2.343 12.201 15.544 1.00 0.00 C ATOM 0 H ILE A 27 -0.998 10.560 16.482 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.893 11.470 13.893 1.00 0.00 H new ATOM 0 HB ILE A 27 0.516 12.200 13.776 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.619 11.687 16.735 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.116 10.428 15.622 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.119 14.069 15.321 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.317 13.697 14.337 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.246 13.180 16.038 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.049 11.825 16.284 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.724 11.998 14.543 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.220 13.276 15.674 1.00 0.00 H new ATOM 384 N GLY A 28 -0.039 8.803 14.149 1.00 0.00 N ATOM 385 CA GLY A 28 0.464 7.655 13.415 1.00 0.00 C ATOM 386 C GLY A 28 1.920 7.868 12.995 1.00 0.00 C ATOM 387 O GLY A 28 2.665 6.906 12.812 1.00 0.00 O ATOM 0 H GLY A 28 0.091 8.754 15.159 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.387 6.761 14.034 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.152 7.485 12.532 1.00 0.00 H new ATOM 391 N GLY A 29 2.282 9.135 12.853 1.00 0.00 N ATOM 392 CA GLY A 29 3.635 9.487 12.458 1.00 0.00 C ATOM 393 C GLY A 29 4.616 9.279 13.614 1.00 0.00 C ATOM 394 O GLY A 29 5.830 9.315 13.418 1.00 0.00 O ATOM 0 H GLY A 29 1.661 9.930 13.005 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.938 8.880 11.605 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.664 10.527 12.135 1.00 0.00 H new ATOM 398 N MET A 30 4.053 9.066 14.795 1.00 0.00 N ATOM 399 CA MET A 30 4.862 8.853 15.982 1.00 0.00 C ATOM 400 C MET A 30 5.836 7.691 15.780 1.00 0.00 C ATOM 401 O MET A 30 6.961 7.727 16.276 1.00 0.00 O ATOM 402 CB MET A 30 3.951 8.554 17.175 1.00 0.00 C ATOM 403 CG MET A 30 3.516 9.846 17.869 1.00 0.00 C ATOM 404 SD MET A 30 4.783 10.387 19.002 1.00 0.00 S ATOM 405 CE MET A 30 4.352 12.112 19.151 1.00 0.00 C ATOM 0 H MET A 30 3.046 9.037 14.954 1.00 0.00 H new ATOM 0 HA MET A 30 5.439 9.758 16.172 1.00 0.00 H new ATOM 0 HB2 MET A 30 3.072 8.004 16.838 1.00 0.00 H new ATOM 0 HB3 MET A 30 4.474 7.914 17.885 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.326 10.621 17.126 1.00 0.00 H new ATOM 0 HG3 MET A 30 2.582 9.683 18.406 1.00 0.00 H new ATOM 0 HE1 MET A 30 5.049 12.604 19.829 1.00 0.00 H new ATOM 0 HE2 MET A 30 4.403 12.586 18.171 1.00 0.00 H new ATOM 0 HE3 MET A 30 3.339 12.201 19.544 1.00 0.00 H new ATOM 413 N ILE A 31 5.369 6.687 15.053 1.00 0.00 N ATOM 414 CA ILE A 31 6.184 5.517 14.780 1.00 0.00 C ATOM 415 C ILE A 31 7.509 5.958 14.155 1.00 0.00 C ATOM 416 O ILE A 31 8.580 5.611 14.650 1.00 0.00 O ATOM 417 CB ILE A 31 5.409 4.509 13.929 1.00 0.00 C ATOM 418 CG1 ILE A 31 6.250 3.261 13.654 1.00 0.00 C ATOM 419 CG2 ILE A 31 4.904 5.156 12.637 1.00 0.00 C ATOM 420 CD1 ILE A 31 5.494 2.277 12.759 1.00 0.00 C ATOM 0 H ILE A 31 4.435 6.660 14.644 1.00 0.00 H new ATOM 0 HA ILE A 31 6.425 4.997 15.707 1.00 0.00 H new ATOM 0 HB ILE A 31 4.533 4.189 14.493 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.187 3.547 13.176 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.508 2.777 14.596 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.357 4.418 12.050 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.244 5.988 12.881 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.752 5.523 12.058 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.114 1.399 12.579 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.570 1.974 13.251 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.259 2.756 11.809 1.00 0.00 H new ATOM 431 N SER A 32 7.393 6.719 13.075 1.00 0.00 N ATOM 432 CA SER A 32 8.569 7.212 12.377 1.00 0.00 C ATOM 433 C SER A 32 9.589 7.746 13.384 1.00 0.00 C ATOM 434 O SER A 32 10.783 7.470 13.268 1.00 0.00 O ATOM 435 CB SER A 32 8.194 8.303 11.372 1.00 0.00 C ATOM 436 OG SER A 32 8.863 8.131 10.126 1.00 0.00 O ATOM 0 H SER A 32 6.503 7.006 12.667 1.00 0.00 H new ATOM 0 HA SER A 32 9.013 6.383 11.825 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.116 8.292 11.210 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.444 9.280 11.786 1.00 0.00 H new ATOM 0 HG SER A 32 8.597 8.845 9.510 1.00 0.00 H new ATOM 441 N GLY A 33 9.083 8.500 14.349 1.00 0.00 N ATOM 442 CA GLY A 33 9.937 9.075 15.375 1.00 0.00 C ATOM 443 C GLY A 33 10.591 7.980 16.221 1.00 0.00 C ATOM 444 O GLY A 33 11.770 8.073 16.558 1.00 0.00 O ATOM 0 H GLY A 33 8.093 8.726 14.442 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.708 9.689 14.909 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.350 9.733 16.016 1.00 0.00 H new ATOM 448 N TRP A 34 9.797 6.968 16.538 1.00 0.00 N ATOM 449 CA TRP A 34 10.283 5.857 17.338 1.00 0.00 C ATOM 450 C TRP A 34 11.502 5.261 16.628 1.00 0.00 C ATOM 451 O TRP A 34 12.575 5.151 17.217 1.00 0.00 O ATOM 452 CB TRP A 34 9.175 4.832 17.584 1.00 0.00 C ATOM 453 CG TRP A 34 9.512 3.798 18.661 1.00 0.00 C ATOM 454 CD1 TRP A 34 10.000 4.016 19.891 1.00 0.00 C ATOM 455 CD2 TRP A 34 9.364 2.366 18.556 1.00 0.00 C ATOM 456 NE1 TRP A 34 10.177 2.835 20.581 1.00 0.00 N ATOM 457 CE2 TRP A 34 9.778 1.800 19.744 1.00 0.00 C ATOM 458 CE3 TRP A 34 8.895 1.577 17.491 1.00 0.00 C ATOM 459 CZ2 TRP A 34 9.765 0.420 19.981 1.00 0.00 C ATOM 460 CZ3 TRP A 34 8.890 0.199 17.743 1.00 0.00 C ATOM 461 CH2 TRP A 34 9.303 -0.386 18.933 1.00 0.00 C ATOM 0 H TRP A 34 8.820 6.894 16.255 1.00 0.00 H new ATOM 0 HA TRP A 34 10.588 6.199 18.327 1.00 0.00 H new ATOM 0 HB2 TRP A 34 8.265 5.358 17.872 1.00 0.00 H new ATOM 0 HB3 TRP A 34 8.961 4.312 16.650 1.00 0.00 H new ATOM 0 HD1 TRP A 34 10.226 4.993 20.291 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.535 2.739 21.531 1.00 0.00 H new ATOM 0 HE3 TRP A 34 8.565 2.000 16.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 10.093 0.000 20.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.541 -0.454 16.957 1.00 0.00 H new ATOM 0 HH2 TRP A 34 9.268 -1.459 19.050 1.00 0.00 H new ATOM 471 N ALA A 35 11.292 4.894 15.371 1.00 0.00 N ATOM 472 CA ALA A 35 12.360 4.312 14.575 1.00 0.00 C ATOM 473 C ALA A 35 13.499 5.325 14.440 1.00 0.00 C ATOM 474 O ALA A 35 14.670 4.950 14.438 1.00 0.00 O ATOM 475 CB ALA A 35 11.804 3.874 13.218 1.00 0.00 C ATOM 0 H ALA A 35 10.400 4.988 14.885 1.00 0.00 H new ATOM 0 HA ALA A 35 12.764 3.425 15.063 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.604 3.437 12.621 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.018 3.134 13.369 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.393 4.739 12.697 1.00 0.00 H new ATOM 481 N SER A 36 13.114 6.588 14.329 1.00 0.00 N ATOM 482 CA SER A 36 14.089 7.658 14.193 1.00 0.00 C ATOM 483 C SER A 36 15.019 7.675 15.408 1.00 0.00 C ATOM 484 O SER A 36 16.211 7.953 15.277 1.00 0.00 O ATOM 485 CB SER A 36 13.399 9.013 14.033 1.00 0.00 C ATOM 486 OG SER A 36 13.820 9.691 12.851 1.00 0.00 O ATOM 0 H SER A 36 12.141 6.895 14.330 1.00 0.00 H new ATOM 0 HA SER A 36 14.679 7.473 13.295 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.319 8.868 14.003 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.613 9.634 14.903 1.00 0.00 H new ATOM 0 HG SER A 36 13.355 10.551 12.784 1.00 0.00 H new ATOM 491 N GLY A 37 14.439 7.376 16.561 1.00 0.00 N ATOM 492 CA GLY A 37 15.203 7.354 17.798 1.00 0.00 C ATOM 493 C GLY A 37 16.102 6.119 17.865 1.00 0.00 C ATOM 494 O GLY A 37 17.277 6.221 18.214 1.00 0.00 O ATOM 0 H GLY A 37 13.450 7.147 16.665 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.812 8.255 17.870 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.523 7.360 18.650 1.00 0.00 H new ATOM 498 N LEU A 38 15.516 4.980 17.526 1.00 0.00 N ATOM 499 CA LEU A 38 16.250 3.726 17.544 1.00 0.00 C ATOM 500 C LEU A 38 17.422 3.812 16.565 1.00 0.00 C ATOM 501 O LEU A 38 18.560 3.515 16.925 1.00 0.00 O ATOM 502 CB LEU A 38 15.309 2.550 17.276 1.00 0.00 C ATOM 503 CG LEU A 38 14.079 2.456 18.180 1.00 0.00 C ATOM 504 CD1 LEU A 38 12.919 1.768 17.457 1.00 0.00 C ATOM 505 CD2 LEU A 38 14.420 1.766 19.501 1.00 0.00 C ATOM 0 H LEU A 38 14.541 4.899 17.237 1.00 0.00 H new ATOM 0 HA LEU A 38 16.673 3.546 18.532 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.971 2.609 16.241 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.878 1.626 17.373 1.00 0.00 H new ATOM 0 HG LEU A 38 13.754 3.468 18.421 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.057 1.714 18.122 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.655 2.339 16.567 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.217 0.761 17.167 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.528 1.713 20.125 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.784 0.758 19.302 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.192 2.335 20.020 1.00 0.00 H new ATOM 516 N ALA A 39 17.103 4.220 15.345 1.00 0.00 N ATOM 517 CA ALA A 39 18.115 4.349 14.311 1.00 0.00 C ATOM 518 C ALA A 39 19.081 5.475 14.685 1.00 0.00 C ATOM 519 O ALA A 39 20.230 5.484 14.246 1.00 0.00 O ATOM 520 CB ALA A 39 17.439 4.588 12.959 1.00 0.00 C ATOM 0 H ALA A 39 16.158 4.465 15.050 1.00 0.00 H new ATOM 0 HA ALA A 39 18.695 3.430 14.228 1.00 0.00 H new ATOM 0 HB1 ALA A 39 18.199 4.685 12.184 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.787 3.747 12.725 1.00 0.00 H new ATOM 0 HB3 ALA A 39 16.849 5.503 13.004 1.00 0.00 H new ATOM 526 N GLY A 40 18.580 6.397 15.494 1.00 0.00 N ATOM 527 CA GLY A 40 19.384 7.525 15.933 1.00 0.00 C ATOM 528 C GLY A 40 20.419 7.089 16.971 1.00 0.00 C ATOM 529 O GLY A 40 20.293 7.409 18.152 1.00 0.00 O ATOM 0 H GLY A 40 17.627 6.386 15.857 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.889 7.972 15.076 1.00 0.00 H new ATOM 0 HA3 GLY A 40 18.738 8.293 16.359 1.00 0.00 H new ATOM 533 N MET A 41 21.421 6.364 16.494 1.00 0.00 N ATOM 534 CA MET A 41 22.477 5.880 17.365 1.00 0.00 C ATOM 535 C MET A 41 23.632 6.884 17.437 1.00 0.00 C ATOM 536 O MET A 41 24.088 7.232 18.524 1.00 0.00 O ATOM 537 CB MET A 41 22.998 4.540 16.843 1.00 0.00 C ATOM 538 CG MET A 41 23.030 3.493 17.957 1.00 0.00 C ATOM 539 SD MET A 41 21.367 3.005 18.386 1.00 0.00 S ATOM 540 CE MET A 41 21.293 3.601 20.067 1.00 0.00 C ATOM 0 H MET A 41 21.523 6.100 15.514 1.00 0.00 H new ATOM 0 HA MET A 41 22.066 5.754 18.367 1.00 0.00 H new ATOM 0 HB2 MET A 41 22.363 4.191 16.029 1.00 0.00 H new ATOM 0 HB3 MET A 41 23.999 4.670 16.432 1.00 0.00 H new ATOM 0 HG2 MET A 41 23.601 2.623 17.633 1.00 0.00 H new ATOM 0 HG3 MET A 41 23.536 3.898 18.833 1.00 0.00 H new ATOM 0 HE1 MET A 41 20.566 3.015 20.629 1.00 0.00 H new ATOM 0 HE2 MET A 41 22.274 3.503 20.531 1.00 0.00 H new ATOM 0 HE3 MET A 41 20.994 4.649 20.069 1.00 0.00 H new TER 548 MET A 41