USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=11 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= -2.38 F(o=-5.9,f=-3.2) USER MOD Set 1.2: A 12 ASN : amide:sc= -0.867 K(o=-3.2,f=-12!) USER MOD Set 1.3: A 14 LYS NZ :NH3+ 165:sc= 0.0149 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.126 (180deg=0) USER MOD Single : A 3 SER OG : rot 61:sc= 1.16 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0637 X(o=-0.064,f=-0.45) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.2) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.63 X(o=-0.63,f=-0.67) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 153:sc= -0.15 (180deg=-0.575) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.957 4.219 19.530 1.00 0.00 N ATOM 2 CA ALA A 1 -20.096 4.637 18.435 1.00 0.00 C ATOM 3 C ALA A 1 -18.823 3.789 18.440 1.00 0.00 C ATOM 4 O ALA A 1 -18.572 3.045 19.387 1.00 0.00 O ATOM 5 CB ALA A 1 -19.801 6.134 18.562 1.00 0.00 C ATOM 0 H1 ALA A 1 -21.841 3.828 19.147 1.00 0.00 H new ATOM 0 H2 ALA A 1 -20.473 3.492 20.094 1.00 0.00 H new ATOM 0 H3 ALA A 1 -21.174 5.038 20.133 1.00 0.00 H new ATOM 0 HA ALA A 1 -20.591 4.482 17.476 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.156 6.449 17.742 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.736 6.694 18.523 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -19.301 6.327 19.511 1.00 0.00 H new ATOM 11 N ARG A 2 -18.054 3.929 17.372 1.00 0.00 N ATOM 12 CA ARG A 2 -16.812 3.184 17.240 1.00 0.00 C ATOM 13 C ARG A 2 -15.655 3.969 17.859 1.00 0.00 C ATOM 14 O ARG A 2 -15.728 5.190 17.990 1.00 0.00 O ATOM 15 CB ARG A 2 -16.496 2.895 15.772 1.00 0.00 C ATOM 16 CG ARG A 2 -17.122 1.571 15.326 1.00 0.00 C ATOM 17 CD ARG A 2 -18.607 1.748 15.003 1.00 0.00 C ATOM 18 NE ARG A 2 -18.878 1.315 13.614 1.00 0.00 N ATOM 19 CZ ARG A 2 -20.096 1.006 13.147 1.00 0.00 C ATOM 20 NH1 ARG A 2 -21.161 1.081 13.956 1.00 0.00 N ATOM 21 NH2 ARG A 2 -20.247 0.622 11.873 1.00 0.00 N ATOM 0 H ARG A 2 -18.266 4.547 16.589 1.00 0.00 H new ATOM 0 HA ARG A 2 -16.936 2.237 17.766 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -16.871 3.707 15.149 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -15.416 2.857 15.630 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -16.598 1.194 14.448 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -17.004 0.825 16.112 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -19.211 1.165 15.699 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -18.893 2.792 15.130 1.00 0.00 H new ATOM 0 HE ARG A 2 -18.088 1.247 12.972 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -21.045 1.373 14.926 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -22.088 0.846 13.602 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -19.435 0.565 11.258 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -21.174 0.387 11.518 1.00 0.00 H new ATOM 32 N SER A 3 -14.612 3.237 18.223 1.00 0.00 N ATOM 33 CA SER A 3 -13.440 3.849 18.825 1.00 0.00 C ATOM 34 C SER A 3 -12.577 2.779 19.496 1.00 0.00 C ATOM 35 O SER A 3 -12.086 2.979 20.607 1.00 0.00 O ATOM 36 CB SER A 3 -13.839 4.923 19.838 1.00 0.00 C ATOM 37 OG SER A 3 -13.859 6.224 19.258 1.00 0.00 O ATOM 0 H SER A 3 -14.555 2.225 18.112 1.00 0.00 H new ATOM 0 HA SER A 3 -12.862 4.330 18.036 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.824 4.691 20.242 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.140 4.910 20.674 1.00 0.00 H new ATOM 0 HG SER A 3 -14.514 6.247 18.530 1.00 0.00 H new ATOM 42 N TYR A 4 -12.419 1.666 18.796 1.00 0.00 N ATOM 43 CA TYR A 4 -11.624 0.564 19.312 1.00 0.00 C ATOM 44 C TYR A 4 -10.128 0.853 19.167 1.00 0.00 C ATOM 45 O TYR A 4 -9.640 1.079 18.061 1.00 0.00 O ATOM 46 CB TYR A 4 -11.982 -0.652 18.454 1.00 0.00 C ATOM 47 CG TYR A 4 -13.386 -1.203 18.710 1.00 0.00 C ATOM 48 CD1 TYR A 4 -14.477 -0.626 18.094 1.00 0.00 C ATOM 49 CD2 TYR A 4 -13.560 -2.277 19.559 1.00 0.00 C ATOM 50 CE1 TYR A 4 -15.799 -1.145 18.336 1.00 0.00 C ATOM 51 CE2 TYR A 4 -14.881 -2.796 19.801 1.00 0.00 C ATOM 52 CZ TYR A 4 -15.935 -2.205 19.177 1.00 0.00 C ATOM 53 OH TYR A 4 -17.183 -2.696 19.406 1.00 0.00 O ATOM 0 H TYR A 4 -12.828 1.503 17.876 1.00 0.00 H new ATOM 0 HA TYR A 4 -11.830 0.404 20.370 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -11.896 -0.379 17.402 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -11.254 -1.442 18.639 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -14.340 0.215 17.430 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -12.706 -2.728 20.042 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -16.662 -0.703 17.861 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -15.032 -3.636 20.463 1.00 0.00 H new ATOM 0 HH TYR A 4 -17.128 -3.453 20.026 1.00 0.00 H new ATOM 62 N GLY A 5 -9.443 0.837 20.301 1.00 0.00 N ATOM 63 CA GLY A 5 -8.013 1.094 20.315 1.00 0.00 C ATOM 64 C GLY A 5 -7.712 2.538 19.907 1.00 0.00 C ATOM 65 O GLY A 5 -8.060 3.475 20.623 1.00 0.00 O ATOM 0 H GLY A 5 -9.852 0.650 21.217 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -7.615 0.903 21.312 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.510 0.407 19.634 1.00 0.00 H new ATOM 69 N ASN A 6 -7.067 2.671 18.757 1.00 0.00 N ATOM 70 CA ASN A 6 -6.714 3.984 18.244 1.00 0.00 C ATOM 71 C ASN A 6 -7.991 4.737 17.862 1.00 0.00 C ATOM 72 O ASN A 6 -8.257 5.819 18.383 1.00 0.00 O ATOM 73 CB ASN A 6 -5.840 3.872 16.994 1.00 0.00 C ATOM 74 CG ASN A 6 -4.447 4.454 17.244 1.00 0.00 C ATOM 75 OD1 ASN A 6 -3.861 4.295 18.302 1.00 0.00 O ATOM 76 ND2 ASN A 6 -3.954 5.136 16.216 1.00 0.00 N ATOM 0 H ASN A 6 -6.780 1.891 18.166 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.163 4.512 19.022 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.753 2.826 16.699 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.315 4.398 16.166 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.031 5.565 16.284 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.498 5.230 15.359 1.00 0.00 H new ATOM 82 N GLY A 7 -8.746 4.135 16.956 1.00 0.00 N ATOM 83 CA GLY A 7 -9.988 4.734 16.499 1.00 0.00 C ATOM 84 C GLY A 7 -10.865 3.704 15.784 1.00 0.00 C ATOM 85 O GLY A 7 -12.024 3.511 16.147 1.00 0.00 O ATOM 0 H GLY A 7 -8.522 3.238 16.526 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.529 5.150 17.349 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.770 5.562 15.824 1.00 0.00 H new ATOM 89 N VAL A 8 -10.277 3.068 14.782 1.00 0.00 N ATOM 90 CA VAL A 8 -10.989 2.060 14.013 1.00 0.00 C ATOM 91 C VAL A 8 -11.886 2.752 12.985 1.00 0.00 C ATOM 92 O VAL A 8 -11.831 2.439 11.797 1.00 0.00 O ATOM 93 CB VAL A 8 -11.762 1.134 14.954 1.00 0.00 C ATOM 94 CG1 VAL A 8 -13.271 1.321 14.790 1.00 0.00 C ATOM 95 CG2 VAL A 8 -11.364 -0.326 14.734 1.00 0.00 C ATOM 0 H VAL A 8 -9.315 3.231 14.484 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.288 1.431 13.464 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.501 1.402 15.978 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.797 0.651 15.470 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.537 2.353 15.019 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.556 1.093 13.763 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.928 -0.963 15.415 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.583 -0.612 13.705 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.297 -0.445 14.925 1.00 0.00 H new ATOM 105 N TYR A 9 -12.694 3.679 13.479 1.00 0.00 N ATOM 106 CA TYR A 9 -13.602 4.417 12.617 1.00 0.00 C ATOM 107 C TYR A 9 -12.840 5.117 11.490 1.00 0.00 C ATOM 108 O TYR A 9 -13.266 5.087 10.336 1.00 0.00 O ATOM 109 CB TYR A 9 -14.259 5.475 13.505 1.00 0.00 C ATOM 110 CG TYR A 9 -13.276 6.477 14.112 1.00 0.00 C ATOM 111 CD1 TYR A 9 -12.872 7.576 13.382 1.00 0.00 C ATOM 112 CD2 TYR A 9 -12.793 6.282 15.391 1.00 0.00 C ATOM 113 CE1 TYR A 9 -11.946 8.519 13.953 1.00 0.00 C ATOM 114 CE2 TYR A 9 -11.867 7.226 15.962 1.00 0.00 C ATOM 115 CZ TYR A 9 -11.489 8.298 15.216 1.00 0.00 C ATOM 116 OH TYR A 9 -10.615 9.188 15.755 1.00 0.00 O ATOM 0 H TYR A 9 -12.739 3.936 14.465 1.00 0.00 H new ATOM 0 HA TYR A 9 -14.328 3.745 12.159 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.999 6.018 12.918 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.796 4.975 14.311 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -13.250 7.729 12.382 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -13.109 5.422 15.963 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -11.621 9.383 13.392 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -11.481 7.085 16.961 1.00 0.00 H new ATOM 0 HH TYR A 9 -10.375 8.903 16.662 1.00 0.00 H new ATOM 125 N CYS A 10 -11.727 5.731 11.863 1.00 0.00 N ATOM 126 CA CYS A 10 -10.903 6.437 10.897 1.00 0.00 C ATOM 127 C CYS A 10 -9.755 7.113 11.649 1.00 0.00 C ATOM 128 O CYS A 10 -9.515 6.818 12.819 1.00 0.00 O ATOM 129 CB CYS A 10 -11.720 7.441 10.082 1.00 0.00 C ATOM 130 SG CYS A 10 -11.365 7.444 8.287 1.00 0.00 S ATOM 0 H CYS A 10 -11.377 5.754 12.821 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.497 5.728 10.175 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.779 7.229 10.228 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -11.537 8.441 10.476 1.00 0.00 H new ATOM 134 N ASN A 11 -9.074 8.008 10.946 1.00 0.00 N ATOM 135 CA ASN A 11 -7.958 8.728 11.534 1.00 0.00 C ATOM 136 C ASN A 11 -8.278 10.224 11.560 1.00 0.00 C ATOM 137 O ASN A 11 -8.479 10.800 12.629 1.00 0.00 O ATOM 138 CB ASN A 11 -6.683 8.532 10.710 1.00 0.00 C ATOM 139 CG ASN A 11 -5.500 9.262 11.350 1.00 0.00 C ATOM 140 OD1 ASN A 11 -4.467 9.438 10.531 1.00 0.00 O flip ATOM 141 ND2 ASN A 11 -5.523 9.638 12.510 1.00 0.00 N flip ATOM 0 H ASN A 11 -9.274 8.250 9.976 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.801 8.343 12.542 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.458 7.469 10.629 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.839 8.903 9.697 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.349 9.470 13.084 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.716 10.120 12.906 1.00 0.00 H new ATOM 147 N ASN A 12 -8.316 10.810 10.372 1.00 0.00 N ATOM 148 CA ASN A 12 -8.610 12.227 10.247 1.00 0.00 C ATOM 149 C ASN A 12 -9.132 12.513 8.838 1.00 0.00 C ATOM 150 O ASN A 12 -10.291 12.889 8.666 1.00 0.00 O ATOM 151 CB ASN A 12 -7.351 13.071 10.463 1.00 0.00 C ATOM 152 CG ASN A 12 -6.100 12.320 10.002 1.00 0.00 C ATOM 153 OD1 ASN A 12 -5.973 11.920 8.856 1.00 0.00 O ATOM 154 ND2 ASN A 12 -5.189 12.150 10.955 1.00 0.00 N ATOM 0 H ASN A 12 -8.148 10.329 9.488 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.353 12.485 11.002 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -7.439 14.009 9.914 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.257 13.327 11.518 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.319 11.659 10.747 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.360 12.511 11.894 1.00 0.00 H new ATOM 160 N LYS A 13 -8.254 12.321 7.865 1.00 0.00 N ATOM 161 CA LYS A 13 -8.613 12.552 6.476 1.00 0.00 C ATOM 162 C LYS A 13 -8.982 11.221 5.820 1.00 0.00 C ATOM 163 O LYS A 13 -9.877 11.167 4.977 1.00 0.00 O ATOM 164 CB LYS A 13 -7.493 13.305 5.752 1.00 0.00 C ATOM 165 CG LYS A 13 -6.142 12.623 5.973 1.00 0.00 C ATOM 166 CD LYS A 13 -5.361 12.513 4.662 1.00 0.00 C ATOM 167 CE LYS A 13 -3.982 11.896 4.895 1.00 0.00 C ATOM 168 NZ LYS A 13 -2.916 12.877 4.591 1.00 0.00 N ATOM 0 H LYS A 13 -7.294 12.008 8.011 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.492 13.193 6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.711 13.350 4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.449 14.333 6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.560 13.189 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.297 11.629 6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.920 11.904 3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.250 13.502 4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.895 11.565 5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.861 11.013 4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.986 12.441 4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.990 13.173 3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.022 13.708 5.208 1.00 0.00 H new ATOM 178 N LYS A 14 -8.276 10.178 6.232 1.00 0.00 N ATOM 179 CA LYS A 14 -8.519 8.851 5.694 1.00 0.00 C ATOM 180 C LYS A 14 -8.687 7.861 6.850 1.00 0.00 C ATOM 181 O LYS A 14 -8.669 8.253 8.015 1.00 0.00 O ATOM 182 CB LYS A 14 -7.417 8.462 4.707 1.00 0.00 C ATOM 183 CG LYS A 14 -6.033 8.620 5.340 1.00 0.00 C ATOM 184 CD LYS A 14 -5.677 7.401 6.192 1.00 0.00 C ATOM 185 CE LYS A 14 -5.233 7.823 7.594 1.00 0.00 C ATOM 186 NZ LYS A 14 -3.830 8.295 7.572 1.00 0.00 N ATOM 0 H LYS A 14 -7.536 10.226 6.932 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.446 8.836 5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.559 7.430 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.486 9.085 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.285 8.753 4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.012 9.518 5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.540 6.739 6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.880 6.835 5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.884 8.615 7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.330 6.982 8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.623 8.808 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.191 7.479 7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.690 8.930 6.760 1.00 0.00 H new ATOM 196 N CYS A 15 -8.844 6.597 6.485 1.00 0.00 N ATOM 197 CA CYS A 15 -9.014 5.548 7.476 1.00 0.00 C ATOM 198 C CYS A 15 -7.766 4.664 7.460 1.00 0.00 C ATOM 199 O CYS A 15 -6.744 5.016 8.047 1.00 0.00 O ATOM 200 CB CYS A 15 -10.290 4.739 7.231 1.00 0.00 C ATOM 201 SG CYS A 15 -11.846 5.632 7.592 1.00 0.00 S ATOM 0 H CYS A 15 -8.857 6.276 5.517 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.129 5.994 8.464 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.305 4.418 6.190 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.255 3.837 7.842 1.00 0.00 H new ATOM 205 N TRP A 16 -7.890 3.533 6.781 1.00 0.00 N ATOM 206 CA TRP A 16 -6.784 2.596 6.680 1.00 0.00 C ATOM 207 C TRP A 16 -7.244 1.412 5.828 1.00 0.00 C ATOM 208 O TRP A 16 -8.303 1.466 5.205 1.00 0.00 O ATOM 209 CB TRP A 16 -6.291 2.178 8.067 1.00 0.00 C ATOM 210 CG TRP A 16 -7.290 2.456 9.193 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.449 1.832 9.439 1.00 0.00 C ATOM 212 CD2 TRP A 16 -7.169 3.462 10.220 1.00 0.00 C ATOM 213 NE1 TRP A 16 -9.082 2.359 10.546 1.00 0.00 N ATOM 214 CE2 TRP A 16 -8.278 3.382 11.036 1.00 0.00 C ATOM 215 CE3 TRP A 16 -6.156 4.408 10.452 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -8.481 4.220 12.139 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -6.372 5.239 11.558 1.00 0.00 C ATOM 218 CH2 TRP A 16 -7.485 5.171 12.390 1.00 0.00 C ATOM 0 H TRP A 16 -8.739 3.244 6.296 1.00 0.00 H new ATOM 0 HA TRP A 16 -5.927 3.062 6.195 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -6.061 1.113 8.054 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.360 2.702 8.284 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.839 1.018 8.846 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.975 2.054 10.933 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.279 4.488 9.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.359 4.137 12.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.623 5.984 11.781 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.580 5.849 13.226 1.00 0.00 H new ATOM 228 N VAL A 17 -6.426 0.370 5.828 1.00 0.00 N ATOM 229 CA VAL A 17 -6.735 -0.826 5.062 1.00 0.00 C ATOM 230 C VAL A 17 -6.542 -2.057 5.948 1.00 0.00 C ATOM 231 O VAL A 17 -7.490 -2.796 6.207 1.00 0.00 O ATOM 232 CB VAL A 17 -5.888 -0.866 3.789 1.00 0.00 C ATOM 233 CG1 VAL A 17 -5.721 -2.301 3.287 1.00 0.00 C ATOM 234 CG2 VAL A 17 -6.489 0.029 2.703 1.00 0.00 C ATOM 0 H VAL A 17 -5.549 0.329 6.347 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.777 -0.816 4.742 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.898 -0.479 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.115 -2.301 2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.228 -2.900 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.701 -2.726 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.868 -0.017 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.495 -0.315 2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.532 1.057 3.062 1.00 0.00 H new ATOM 244 N ASN A 18 -5.305 -2.242 6.389 1.00 0.00 N ATOM 245 CA ASN A 18 -4.975 -3.372 7.240 1.00 0.00 C ATOM 246 C ASN A 18 -3.679 -3.074 7.996 1.00 0.00 C ATOM 247 O ASN A 18 -2.598 -3.076 7.407 1.00 0.00 O ATOM 248 CB ASN A 18 -4.759 -4.640 6.413 1.00 0.00 C ATOM 249 CG ASN A 18 -5.681 -5.767 6.885 1.00 0.00 C ATOM 250 OD1 ASN A 18 -5.848 -6.011 8.069 1.00 0.00 O ATOM 251 ND2 ASN A 18 -6.266 -6.438 5.897 1.00 0.00 N ATOM 0 H ASN A 18 -4.520 -1.628 6.172 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.805 -3.528 7.929 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.947 -4.428 5.360 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.720 -4.958 6.493 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.899 -7.209 6.109 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.082 -6.181 4.927 1.00 0.00 H new ATOM 257 N ARG A 19 -3.828 -2.825 9.289 1.00 0.00 N ATOM 258 CA ARG A 19 -2.682 -2.525 10.130 1.00 0.00 C ATOM 259 C ARG A 19 -1.788 -3.759 10.269 1.00 0.00 C ATOM 260 O ARG A 19 -0.569 -3.638 10.372 1.00 0.00 O ATOM 261 CB ARG A 19 -3.125 -2.067 11.521 1.00 0.00 C ATOM 262 CG ARG A 19 -2.081 -1.146 12.154 1.00 0.00 C ATOM 263 CD ARG A 19 -2.739 0.095 12.760 1.00 0.00 C ATOM 264 NE ARG A 19 -3.286 -0.224 14.097 1.00 0.00 N ATOM 265 CZ ARG A 19 -3.912 0.663 14.884 1.00 0.00 C ATOM 266 NH1 ARG A 19 -4.074 1.927 14.471 1.00 0.00 N ATOM 267 NH2 ARG A 19 -4.377 0.284 16.082 1.00 0.00 N ATOM 0 H ARG A 19 -4.725 -2.825 9.774 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.124 -1.719 9.654 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.079 -1.545 11.449 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.284 -2.936 12.160 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.535 -1.687 12.927 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.353 -0.845 11.401 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.010 0.901 12.839 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.536 0.449 12.107 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.180 -1.178 14.442 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.721 2.214 13.558 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.550 2.602 15.069 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.255 -0.679 16.395 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.853 0.958 16.681 1.00 0.00 H new ATOM 278 N GLY A 20 -2.430 -4.919 10.266 1.00 0.00 N ATOM 279 CA GLY A 20 -1.707 -6.174 10.389 1.00 0.00 C ATOM 280 C GLY A 20 -0.433 -6.159 9.543 1.00 0.00 C ATOM 281 O GLY A 20 0.673 -6.166 10.080 1.00 0.00 O ATOM 0 H GLY A 20 -3.442 -5.016 10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.452 -6.349 11.434 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.347 -6.999 10.074 1.00 0.00 H new ATOM 285 N GLU A 21 -0.631 -6.137 8.233 1.00 0.00 N ATOM 286 CA GLU A 21 0.489 -6.121 7.307 1.00 0.00 C ATOM 287 C GLU A 21 1.387 -4.913 7.581 1.00 0.00 C ATOM 288 O GLU A 21 2.597 -4.974 7.373 1.00 0.00 O ATOM 289 CB GLU A 21 0.001 -6.124 5.857 1.00 0.00 C ATOM 290 CG GLU A 21 -0.968 -4.968 5.602 1.00 0.00 C ATOM 291 CD GLU A 21 -0.635 -4.251 4.292 1.00 0.00 C ATOM 292 OE1 GLU A 21 -0.513 -4.902 3.243 1.00 0.00 O ATOM 293 OE2 GLU A 21 -0.502 -2.972 4.388 1.00 0.00 O ATOM 0 H GLU A 21 -1.550 -6.130 7.791 1.00 0.00 H new ATOM 0 HA GLU A 21 1.075 -7.027 7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.854 -6.044 5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.492 -7.071 5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.989 -5.347 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.921 -4.260 6.430 1.00 0.00 H new ATOM 299 N ALA A 22 0.759 -3.842 8.044 1.00 0.00 N ATOM 300 CA ALA A 22 1.486 -2.622 8.350 1.00 0.00 C ATOM 301 C ALA A 22 2.531 -2.912 9.429 1.00 0.00 C ATOM 302 O ALA A 22 3.707 -2.591 9.262 1.00 0.00 O ATOM 303 CB ALA A 22 0.499 -1.531 8.773 1.00 0.00 C ATOM 0 H ALA A 22 -0.245 -3.794 8.215 1.00 0.00 H new ATOM 0 HA ALA A 22 2.015 -2.260 7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.045 -0.616 9.003 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.203 -1.341 7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.048 -1.858 9.657 1.00 0.00 H new ATOM 309 N THR A 23 2.065 -3.516 10.512 1.00 0.00 N ATOM 310 CA THR A 23 2.945 -3.852 11.618 1.00 0.00 C ATOM 311 C THR A 23 4.172 -4.613 11.111 1.00 0.00 C ATOM 312 O THR A 23 5.288 -4.099 11.158 1.00 0.00 O ATOM 313 CB THR A 23 2.129 -4.635 12.650 1.00 0.00 C ATOM 314 OG1 THR A 23 1.633 -3.632 13.534 1.00 0.00 O ATOM 315 CG2 THR A 23 3.004 -5.517 13.542 1.00 0.00 C ATOM 0 H THR A 23 1.089 -3.781 10.647 1.00 0.00 H new ATOM 0 HA THR A 23 3.334 -2.955 12.101 1.00 0.00 H new ATOM 0 HB THR A 23 1.394 -5.255 12.136 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.091 -4.052 14.234 1.00 0.00 H new ATOM 0 HG21 THR A 23 2.375 -6.050 14.255 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.543 -6.236 12.926 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.718 -4.894 14.082 1.00 0.00 H new ATOM 323 N GLN A 24 3.923 -5.825 10.638 1.00 0.00 N ATOM 324 CA GLN A 24 4.994 -6.662 10.123 1.00 0.00 C ATOM 325 C GLN A 24 5.871 -5.865 9.155 1.00 0.00 C ATOM 326 O GLN A 24 7.081 -6.077 9.090 1.00 0.00 O ATOM 327 CB GLN A 24 4.434 -7.917 9.450 1.00 0.00 C ATOM 328 CG GLN A 24 3.460 -7.549 8.329 1.00 0.00 C ATOM 329 CD GLN A 24 2.969 -8.800 7.597 1.00 0.00 C ATOM 330 OE1 GLN A 24 2.570 -9.785 8.196 1.00 0.00 O ATOM 331 NE2 GLN A 24 3.019 -8.705 6.271 1.00 0.00 N ATOM 0 H GLN A 24 2.996 -6.248 10.600 1.00 0.00 H new ATOM 0 HA GLN A 24 5.612 -6.985 10.961 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.252 -8.513 9.045 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.926 -8.535 10.190 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.609 -7.009 8.744 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.949 -6.878 7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.364 -7.851 5.834 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.712 -9.486 5.692 1.00 0.00 H new ATOM 338 N SER A 25 5.226 -4.965 8.427 1.00 0.00 N ATOM 339 CA SER A 25 5.931 -4.136 7.465 1.00 0.00 C ATOM 340 C SER A 25 7.154 -3.494 8.125 1.00 0.00 C ATOM 341 O SER A 25 7.214 -3.379 9.348 1.00 0.00 O ATOM 342 CB SER A 25 5.013 -3.057 6.888 1.00 0.00 C ATOM 343 OG SER A 25 5.118 -2.968 5.470 1.00 0.00 O ATOM 0 H SER A 25 4.222 -4.792 8.484 1.00 0.00 H new ATOM 0 HA SER A 25 6.260 -4.772 6.643 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.981 -3.275 7.162 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.264 -2.093 7.331 1.00 0.00 H new ATOM 0 HG SER A 25 4.515 -2.269 5.141 1.00 0.00 H new ATOM 348 N ILE A 26 8.097 -3.092 7.286 1.00 0.00 N ATOM 349 CA ILE A 26 9.314 -2.465 7.773 1.00 0.00 C ATOM 350 C ILE A 26 8.963 -1.138 8.450 1.00 0.00 C ATOM 351 O ILE A 26 9.548 -0.786 9.473 1.00 0.00 O ATOM 352 CB ILE A 26 10.335 -2.327 6.642 1.00 0.00 C ATOM 353 CG1 ILE A 26 9.710 -1.653 5.418 1.00 0.00 C ATOM 354 CG2 ILE A 26 10.957 -3.680 6.295 1.00 0.00 C ATOM 355 CD1 ILE A 26 10.412 -0.332 5.102 1.00 0.00 C ATOM 0 H ILE A 26 8.043 -3.188 6.272 1.00 0.00 H new ATOM 0 HA ILE A 26 9.790 -3.092 8.527 1.00 0.00 H new ATOM 0 HB ILE A 26 11.142 -1.682 6.989 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.777 -2.319 4.558 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.651 -1.472 5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.679 -3.552 5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.461 -4.084 7.173 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.175 -4.369 5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.949 0.126 4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.323 0.341 5.955 1.00 0.00 H new ATOM 0 HD13 ILE A 26 11.466 -0.520 4.897 1.00 0.00 H new ATOM 366 N ILE A 27 8.010 -0.439 7.851 1.00 0.00 N ATOM 367 CA ILE A 27 7.575 0.840 8.384 1.00 0.00 C ATOM 368 C ILE A 27 7.167 0.667 9.848 1.00 0.00 C ATOM 369 O ILE A 27 7.198 1.623 10.622 1.00 0.00 O ATOM 370 CB ILE A 27 6.473 1.439 7.507 1.00 0.00 C ATOM 371 CG1 ILE A 27 6.417 2.961 7.658 1.00 0.00 C ATOM 372 CG2 ILE A 27 5.122 0.785 7.801 1.00 0.00 C ATOM 373 CD1 ILE A 27 6.284 3.642 6.294 1.00 0.00 C ATOM 0 H ILE A 27 7.527 -0.734 7.002 1.00 0.00 H new ATOM 0 HA ILE A 27 8.395 1.558 8.364 1.00 0.00 H new ATOM 0 HB ILE A 27 6.714 1.227 6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.573 3.237 8.290 1.00 0.00 H new ATOM 0 HG13 ILE A 27 7.319 3.314 8.159 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.357 1.229 7.164 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.184 -0.285 7.601 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.861 0.944 8.847 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.246 4.723 6.429 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.142 3.384 5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.369 3.305 5.807 1.00 0.00 H new ATOM 384 N GLY A 28 6.797 -0.560 10.186 1.00 0.00 N ATOM 385 CA GLY A 28 6.385 -0.872 11.543 1.00 0.00 C ATOM 386 C GLY A 28 7.290 -0.179 12.564 1.00 0.00 C ATOM 387 O GLY A 28 6.820 0.286 13.602 1.00 0.00 O ATOM 0 H GLY A 28 6.774 -1.350 9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.352 -0.558 11.695 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.416 -1.951 11.697 1.00 0.00 H new ATOM 391 N GLY A 29 8.572 -0.129 12.233 1.00 0.00 N ATOM 392 CA GLY A 29 9.547 0.499 13.107 1.00 0.00 C ATOM 393 C GLY A 29 9.426 2.023 13.058 1.00 0.00 C ATOM 394 O GLY A 29 9.391 2.681 14.097 1.00 0.00 O ATOM 0 H GLY A 29 8.958 -0.514 11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.401 0.152 14.130 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.552 0.201 12.810 1.00 0.00 H new ATOM 398 N MET A 30 9.364 2.541 11.839 1.00 0.00 N ATOM 399 CA MET A 30 9.247 3.976 11.641 1.00 0.00 C ATOM 400 C MET A 30 7.989 4.522 12.318 1.00 0.00 C ATOM 401 O MET A 30 8.059 5.478 13.090 1.00 0.00 O ATOM 402 CB MET A 30 9.195 4.282 10.143 1.00 0.00 C ATOM 403 CG MET A 30 10.602 4.462 9.571 1.00 0.00 C ATOM 404 SD MET A 30 10.737 6.053 8.771 1.00 0.00 S ATOM 405 CE MET A 30 12.421 5.964 8.186 1.00 0.00 C ATOM 0 H MET A 30 9.393 1.993 10.979 1.00 0.00 H new ATOM 0 HA MET A 30 10.116 4.458 12.089 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.687 3.472 9.620 1.00 0.00 H new ATOM 0 HB3 MET A 30 8.611 5.187 9.973 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.341 4.383 10.369 1.00 0.00 H new ATOM 0 HG3 MET A 30 10.818 3.667 8.857 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.672 6.884 7.659 1.00 0.00 H new ATOM 0 HE2 MET A 30 13.094 5.836 9.034 1.00 0.00 H new ATOM 0 HE3 MET A 30 12.526 5.117 7.508 1.00 0.00 H new ATOM 413 N ILE A 31 6.866 3.892 12.005 1.00 0.00 N ATOM 414 CA ILE A 31 5.593 4.303 12.574 1.00 0.00 C ATOM 415 C ILE A 31 5.702 4.316 14.100 1.00 0.00 C ATOM 416 O ILE A 31 5.413 5.326 14.738 1.00 0.00 O ATOM 417 CB ILE A 31 4.460 3.421 12.045 1.00 0.00 C ATOM 418 CG1 ILE A 31 3.111 3.859 12.619 1.00 0.00 C ATOM 419 CG2 ILE A 31 4.745 1.942 12.316 1.00 0.00 C ATOM 420 CD1 ILE A 31 1.985 2.944 12.131 1.00 0.00 C ATOM 0 H ILE A 31 6.811 3.100 11.365 1.00 0.00 H new ATOM 0 HA ILE A 31 5.347 5.318 12.263 1.00 0.00 H new ATOM 0 HB ILE A 31 4.406 3.546 10.964 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.152 3.842 13.708 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.903 4.887 12.324 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.925 1.337 11.930 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.672 1.654 11.821 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.841 1.781 13.390 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.037 3.277 12.553 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.931 2.982 11.043 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.184 1.921 12.449 1.00 0.00 H new ATOM 431 N SER A 32 6.119 3.180 14.641 1.00 0.00 N ATOM 432 CA SER A 32 6.269 3.048 16.080 1.00 0.00 C ATOM 433 C SER A 32 6.886 4.322 16.661 1.00 0.00 C ATOM 434 O SER A 32 6.543 4.733 17.769 1.00 0.00 O ATOM 435 CB SER A 32 7.128 1.832 16.435 1.00 0.00 C ATOM 436 OG SER A 32 6.696 1.207 17.640 1.00 0.00 O ATOM 0 H SER A 32 6.357 2.343 14.109 1.00 0.00 H new ATOM 0 HA SER A 32 5.281 2.900 16.515 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.090 1.111 15.619 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.168 2.141 16.539 1.00 0.00 H new ATOM 0 HG SER A 32 7.268 0.435 17.831 1.00 0.00 H new ATOM 441 N GLY A 33 7.786 4.911 15.887 1.00 0.00 N ATOM 442 CA GLY A 33 8.454 6.130 16.311 1.00 0.00 C ATOM 443 C GLY A 33 7.509 7.330 16.231 1.00 0.00 C ATOM 444 O GLY A 33 7.470 8.156 17.142 1.00 0.00 O ATOM 0 H GLY A 33 8.068 4.567 14.969 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.815 6.014 17.333 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.327 6.308 15.683 1.00 0.00 H new ATOM 448 N TRP A 34 6.769 7.388 15.134 1.00 0.00 N ATOM 449 CA TRP A 34 5.825 8.473 14.923 1.00 0.00 C ATOM 450 C TRP A 34 4.823 8.460 16.079 1.00 0.00 C ATOM 451 O TRP A 34 4.665 9.459 16.779 1.00 0.00 O ATOM 452 CB TRP A 34 5.157 8.360 13.551 1.00 0.00 C ATOM 453 CG TRP A 34 4.422 9.627 13.111 1.00 0.00 C ATOM 454 CD1 TRP A 34 4.877 10.887 13.107 1.00 0.00 C ATOM 455 CD2 TRP A 34 3.072 9.706 12.607 1.00 0.00 C ATOM 456 NE1 TRP A 34 3.925 11.769 12.640 1.00 0.00 N ATOM 457 CE2 TRP A 34 2.791 11.028 12.326 1.00 0.00 C ATOM 458 CE3 TRP A 34 2.118 8.694 12.396 1.00 0.00 C ATOM 459 CZ2 TRP A 34 1.560 11.460 11.819 1.00 0.00 C ATOM 460 CZ3 TRP A 34 0.892 9.142 11.889 1.00 0.00 C ATOM 461 CH2 TRP A 34 0.595 10.468 11.600 1.00 0.00 C ATOM 0 H TRP A 34 6.804 6.701 14.381 1.00 0.00 H new ATOM 0 HA TRP A 34 6.338 9.435 14.918 1.00 0.00 H new ATOM 0 HB2 TRP A 34 5.916 8.116 12.808 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.450 7.530 13.569 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.866 11.176 13.429 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.033 12.779 12.543 1.00 0.00 H new ATOM 0 HE3 TRP A 34 2.316 7.654 12.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.365 12.501 11.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 0.123 8.405 11.710 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.376 10.733 11.208 1.00 0.00 H new ATOM 471 N ALA A 35 4.173 7.318 16.244 1.00 0.00 N ATOM 472 CA ALA A 35 3.191 7.162 17.302 1.00 0.00 C ATOM 473 C ALA A 35 3.861 7.412 18.654 1.00 0.00 C ATOM 474 O ALA A 35 3.260 8.005 19.549 1.00 0.00 O ATOM 475 CB ALA A 35 2.560 5.770 17.213 1.00 0.00 C ATOM 0 H ALA A 35 4.308 6.491 15.662 1.00 0.00 H new ATOM 0 HA ALA A 35 2.389 7.891 17.191 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.823 5.653 18.007 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.072 5.653 16.245 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.335 5.011 17.323 1.00 0.00 H new ATOM 481 N SER A 36 5.098 6.948 18.761 1.00 0.00 N ATOM 482 CA SER A 36 5.856 7.114 19.990 1.00 0.00 C ATOM 483 C SER A 36 5.999 8.602 20.319 1.00 0.00 C ATOM 484 O SER A 36 5.952 8.990 21.486 1.00 0.00 O ATOM 485 CB SER A 36 7.235 6.460 19.878 1.00 0.00 C ATOM 486 OG SER A 36 8.059 6.759 21.002 1.00 0.00 O ATOM 0 H SER A 36 5.594 6.457 18.017 1.00 0.00 H new ATOM 0 HA SER A 36 5.314 6.621 20.797 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.118 5.380 19.791 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.726 6.802 18.967 1.00 0.00 H new ATOM 0 HG SER A 36 8.930 6.323 20.894 1.00 0.00 H new ATOM 491 N GLY A 37 6.170 9.393 19.271 1.00 0.00 N ATOM 492 CA GLY A 37 6.319 10.829 19.435 1.00 0.00 C ATOM 493 C GLY A 37 4.996 11.475 19.853 1.00 0.00 C ATOM 494 O GLY A 37 4.955 12.251 20.807 1.00 0.00 O ATOM 0 H GLY A 37 6.209 9.067 18.305 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.082 11.035 20.186 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.664 11.271 18.500 1.00 0.00 H new ATOM 498 N LEU A 38 3.948 11.129 19.119 1.00 0.00 N ATOM 499 CA LEU A 38 2.627 11.665 19.402 1.00 0.00 C ATOM 500 C LEU A 38 2.223 11.286 20.828 1.00 0.00 C ATOM 501 O LEU A 38 1.819 12.143 21.612 1.00 0.00 O ATOM 502 CB LEU A 38 1.627 11.214 18.338 1.00 0.00 C ATOM 503 CG LEU A 38 2.041 11.449 16.884 1.00 0.00 C ATOM 504 CD1 LEU A 38 1.455 10.375 15.966 1.00 0.00 C ATOM 505 CD2 LEU A 38 1.663 12.860 16.428 1.00 0.00 C ATOM 0 H LEU A 38 3.987 10.485 18.329 1.00 0.00 H new ATOM 0 HA LEU A 38 2.638 12.754 19.353 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.439 10.149 18.473 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.683 11.730 18.514 1.00 0.00 H new ATOM 0 HG LEU A 38 3.126 11.369 16.821 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.765 10.566 14.939 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.815 9.394 16.277 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.367 10.398 16.027 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.968 13.001 15.391 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.584 12.992 16.510 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.167 13.593 17.058 1.00 0.00 H new ATOM 516 N ALA A 39 2.345 9.999 21.121 1.00 0.00 N ATOM 517 CA ALA A 39 1.997 9.495 22.439 1.00 0.00 C ATOM 518 C ALA A 39 2.946 10.097 23.477 1.00 0.00 C ATOM 519 O ALA A 39 2.586 10.235 24.645 1.00 0.00 O ATOM 520 CB ALA A 39 2.039 7.966 22.427 1.00 0.00 C ATOM 0 H ALA A 39 2.680 9.290 20.468 1.00 0.00 H new ATOM 0 HA ALA A 39 0.983 9.791 22.709 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.778 7.587 23.415 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.326 7.588 21.694 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.042 7.632 22.163 1.00 0.00 H new ATOM 526 N GLY A 40 4.139 10.438 23.014 1.00 0.00 N ATOM 527 CA GLY A 40 5.142 11.023 23.888 1.00 0.00 C ATOM 528 C GLY A 40 4.857 12.505 24.135 1.00 0.00 C ATOM 529 O GLY A 40 5.688 13.360 23.832 1.00 0.00 O ATOM 0 H GLY A 40 4.434 10.321 22.045 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.158 10.489 24.838 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.130 10.908 23.442 1.00 0.00 H new ATOM 533 N MET A 41 3.681 12.765 24.686 1.00 0.00 N ATOM 534 CA MET A 41 3.276 14.129 24.978 1.00 0.00 C ATOM 535 C MET A 41 3.347 15.003 23.724 1.00 0.00 C ATOM 536 O MET A 41 2.400 15.724 23.411 1.00 0.00 O ATOM 537 CB MET A 41 4.188 14.712 26.060 1.00 0.00 C ATOM 538 CG MET A 41 3.701 14.321 27.456 1.00 0.00 C ATOM 539 SD MET A 41 2.391 15.416 27.975 1.00 0.00 S ATOM 540 CE MET A 41 1.003 14.296 27.904 1.00 0.00 C ATOM 0 H MET A 41 2.995 12.053 24.938 1.00 0.00 H new ATOM 0 HA MET A 41 2.244 14.114 25.329 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.207 14.354 25.913 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.215 15.798 25.971 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.344 13.291 27.450 1.00 0.00 H new ATOM 0 HG3 MET A 41 4.528 14.368 28.165 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.238 14.619 28.611 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.588 14.294 26.896 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.334 13.290 28.162 1.00 0.00 H new TER 548 MET A 41