USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 248 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 ASN :FLIP amide:sc= 0.579 F(o=-12!,f=-2.3) USER MOD Set 1.2: A 12 ASN : amide:sc= -3.34! C(o=-2.3!,f=-3.3!) USER MOD Set 1.3: A 14 LYS NZ :NH3+ 165:sc= 0.506 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.0361 (180deg=0) USER MOD Single : A 3 SER OG : rot 33:sc= 1.2 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) 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= -1.59 K(o=-1.6,f=-2.4) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 24 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.3) 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 91:sc= 0.00683 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.575 4.812 10.673 1.00 0.00 N ATOM 2 CA ALA A 1 -19.288 4.533 12.069 1.00 0.00 C ATOM 3 C ALA A 1 -19.098 3.026 12.253 1.00 0.00 C ATOM 4 O ALA A 1 -19.816 2.228 11.653 1.00 0.00 O ATOM 5 CB ALA A 1 -20.413 5.090 12.943 1.00 0.00 C ATOM 0 H1 ALA A 1 -20.319 5.536 10.609 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.714 5.159 10.204 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.898 3.942 10.204 1.00 0.00 H new ATOM 0 HA ALA A 1 -18.364 5.023 12.377 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -20.197 4.880 13.991 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.488 6.167 12.796 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -21.356 4.619 12.666 1.00 0.00 H new ATOM 11 N ARG A 2 -18.127 2.682 13.087 1.00 0.00 N ATOM 12 CA ARG A 2 -17.833 1.285 13.358 1.00 0.00 C ATOM 13 C ARG A 2 -17.236 1.131 14.758 1.00 0.00 C ATOM 14 O ARG A 2 -17.048 2.117 15.469 1.00 0.00 O ATOM 15 CB ARG A 2 -16.855 0.718 12.329 1.00 0.00 C ATOM 16 CG ARG A 2 -17.539 0.514 10.975 1.00 0.00 C ATOM 17 CD ARG A 2 -16.536 0.049 9.917 1.00 0.00 C ATOM 18 NE ARG A 2 -17.108 0.229 8.565 1.00 0.00 N ATOM 19 CZ ARG A 2 -16.457 -0.062 7.430 1.00 0.00 C ATOM 20 NH1 ARG A 2 -15.208 -0.547 7.478 1.00 0.00 N ATOM 21 NH2 ARG A 2 -17.053 0.133 6.246 1.00 0.00 N ATOM 0 H ARG A 2 -17.534 3.347 13.584 1.00 0.00 H new ATOM 0 HA ARG A 2 -18.769 0.731 13.295 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -16.009 1.396 12.214 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -16.457 -0.232 12.686 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -18.336 -0.223 11.074 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -18.004 1.446 10.655 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -15.610 0.616 10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -16.285 -0.999 10.078 1.00 0.00 H new ATOM 0 HE ARG A 2 -18.056 0.597 8.492 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.753 -0.695 8.379 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.713 -0.768 6.614 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -18.003 0.503 6.208 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.557 -0.089 5.383 1.00 0.00 H new ATOM 32 N SER A 3 -16.954 -0.115 15.112 1.00 0.00 N ATOM 33 CA SER A 3 -16.382 -0.411 16.415 1.00 0.00 C ATOM 34 C SER A 3 -16.007 -1.891 16.497 1.00 0.00 C ATOM 35 O SER A 3 -16.304 -2.557 17.488 1.00 0.00 O ATOM 36 CB SER A 3 -17.354 -0.047 17.539 1.00 0.00 C ATOM 37 OG SER A 3 -17.269 1.330 17.894 1.00 0.00 O ATOM 0 H SER A 3 -17.111 -0.930 14.520 1.00 0.00 H new ATOM 0 HA SER A 3 -15.483 0.193 16.539 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.372 -0.278 17.227 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.142 -0.661 18.414 1.00 0.00 H new ATOM 0 HG SER A 3 -17.044 1.859 17.100 1.00 0.00 H new ATOM 42 N TYR A 4 -15.358 -2.364 15.443 1.00 0.00 N ATOM 43 CA TYR A 4 -14.938 -3.754 15.383 1.00 0.00 C ATOM 44 C TYR A 4 -13.708 -3.993 16.259 1.00 0.00 C ATOM 45 O TYR A 4 -13.439 -5.124 16.664 1.00 0.00 O ATOM 46 CB TYR A 4 -14.569 -4.020 13.922 1.00 0.00 C ATOM 47 CG TYR A 4 -15.729 -4.540 13.071 1.00 0.00 C ATOM 48 CD1 TYR A 4 -16.574 -3.651 12.440 1.00 0.00 C ATOM 49 CD2 TYR A 4 -15.931 -5.898 12.935 1.00 0.00 C ATOM 50 CE1 TYR A 4 -17.666 -4.140 11.639 1.00 0.00 C ATOM 51 CE2 TYR A 4 -17.022 -6.388 12.134 1.00 0.00 C ATOM 52 CZ TYR A 4 -17.837 -5.484 11.526 1.00 0.00 C ATOM 53 OH TYR A 4 -18.868 -5.947 10.770 1.00 0.00 O ATOM 0 H TYR A 4 -15.113 -1.809 14.623 1.00 0.00 H new ATOM 0 HA TYR A 4 -15.731 -4.411 15.740 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -14.192 -3.098 13.480 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -13.755 -4.744 13.890 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -16.417 -2.588 12.547 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -15.270 -6.594 13.430 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -18.334 -3.454 11.139 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -17.190 -7.449 12.018 1.00 0.00 H new ATOM 0 HH TYR A 4 -18.866 -6.927 10.779 1.00 0.00 H new ATOM 62 N GLY A 5 -12.992 -2.911 16.528 1.00 0.00 N ATOM 63 CA GLY A 5 -11.796 -2.989 17.349 1.00 0.00 C ATOM 64 C GLY A 5 -11.357 -1.598 17.812 1.00 0.00 C ATOM 65 O GLY A 5 -12.174 -0.815 18.296 1.00 0.00 O ATOM 0 H GLY A 5 -13.218 -1.975 16.192 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.986 -3.622 18.216 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.992 -3.458 16.783 1.00 0.00 H new ATOM 69 N ASN A 6 -10.070 -1.334 17.650 1.00 0.00 N ATOM 70 CA ASN A 6 -9.513 -0.052 18.047 1.00 0.00 C ATOM 71 C ASN A 6 -9.274 0.802 16.800 1.00 0.00 C ATOM 72 O ASN A 6 -8.132 0.998 16.387 1.00 0.00 O ATOM 73 CB ASN A 6 -8.172 -0.230 18.761 1.00 0.00 C ATOM 74 CG ASN A 6 -8.205 -1.445 19.691 1.00 0.00 C ATOM 75 OD1 ASN A 6 -8.733 -1.403 20.791 1.00 0.00 O ATOM 76 ND2 ASN A 6 -7.612 -2.525 19.191 1.00 0.00 N ATOM 0 H ASN A 6 -9.396 -1.986 17.249 1.00 0.00 H new ATOM 0 HA ASN A 6 -10.220 0.428 18.724 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -7.377 -0.352 18.025 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -7.940 0.667 19.336 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.580 -3.387 19.735 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.190 -2.491 18.263 1.00 0.00 H new ATOM 82 N GLY A 7 -10.370 1.288 16.235 1.00 0.00 N ATOM 83 CA GLY A 7 -10.294 2.117 15.044 1.00 0.00 C ATOM 84 C GLY A 7 -11.357 1.709 14.023 1.00 0.00 C ATOM 85 O GLY A 7 -12.542 1.984 14.211 1.00 0.00 O ATOM 0 H GLY A 7 -11.316 1.123 16.580 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.429 3.164 15.316 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.303 2.029 14.598 1.00 0.00 H new ATOM 89 N VAL A 8 -10.897 1.058 12.964 1.00 0.00 N ATOM 90 CA VAL A 8 -11.794 0.609 11.913 1.00 0.00 C ATOM 91 C VAL A 8 -12.329 1.825 11.152 1.00 0.00 C ATOM 92 O VAL A 8 -12.048 1.990 9.966 1.00 0.00 O ATOM 93 CB VAL A 8 -12.905 -0.258 12.508 1.00 0.00 C ATOM 94 CG1 VAL A 8 -13.748 -0.902 11.406 1.00 0.00 C ATOM 95 CG2 VAL A 8 -12.326 -1.321 13.446 1.00 0.00 C ATOM 0 H VAL A 8 -9.914 0.831 12.812 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.260 -0.016 11.197 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.558 0.389 13.094 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.530 -1.513 11.856 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.203 -0.123 10.794 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.112 -1.529 10.781 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.136 -1.924 13.856 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.641 -1.962 12.891 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.788 -0.834 14.260 1.00 0.00 H new ATOM 105 N TYR A 9 -13.089 2.642 11.865 1.00 0.00 N ATOM 106 CA TYR A 9 -13.666 3.836 11.271 1.00 0.00 C ATOM 107 C TYR A 9 -12.721 5.030 11.415 1.00 0.00 C ATOM 108 O TYR A 9 -13.168 6.160 11.615 1.00 0.00 O ATOM 109 CB TYR A 9 -14.950 4.119 12.054 1.00 0.00 C ATOM 110 CG TYR A 9 -14.749 4.204 13.568 1.00 0.00 C ATOM 111 CD1 TYR A 9 -14.385 5.402 14.150 1.00 0.00 C ATOM 112 CD2 TYR A 9 -14.931 3.084 14.353 1.00 0.00 C ATOM 113 CE1 TYR A 9 -14.196 5.483 15.574 1.00 0.00 C ATOM 114 CE2 TYR A 9 -14.742 3.164 15.779 1.00 0.00 C ATOM 115 CZ TYR A 9 -14.384 4.360 16.319 1.00 0.00 C ATOM 116 OH TYR A 9 -14.205 4.436 17.665 1.00 0.00 O ATOM 0 H TYR A 9 -13.319 2.501 12.849 1.00 0.00 H new ATOM 0 HA TYR A 9 -13.850 3.685 10.207 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.379 5.057 11.701 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -15.676 3.335 11.838 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -14.242 6.279 13.536 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.215 2.147 13.898 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -13.911 6.414 16.041 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.881 2.295 16.405 1.00 0.00 H new ATOM 0 HH TYR A 9 -14.374 3.559 18.068 1.00 0.00 H new ATOM 125 N CYS A 10 -11.433 4.741 11.308 1.00 0.00 N ATOM 126 CA CYS A 10 -10.421 5.778 11.424 1.00 0.00 C ATOM 127 C CYS A 10 -10.423 6.293 12.865 1.00 0.00 C ATOM 128 O CYS A 10 -11.300 5.939 13.652 1.00 0.00 O ATOM 129 CB CYS A 10 -10.648 6.906 10.414 1.00 0.00 C ATOM 130 SG CYS A 10 -10.575 6.391 8.660 1.00 0.00 S ATOM 0 H CYS A 10 -11.066 3.804 11.142 1.00 0.00 H new ATOM 0 HA CYS A 10 -9.441 5.361 11.190 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.622 7.356 10.606 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.900 7.681 10.582 1.00 0.00 H new ATOM 134 N ASN A 11 -9.433 7.120 13.165 1.00 0.00 N ATOM 135 CA ASN A 11 -9.309 7.687 14.497 1.00 0.00 C ATOM 136 C ASN A 11 -10.408 8.730 14.707 1.00 0.00 C ATOM 137 O ASN A 11 -11.314 8.529 15.514 1.00 0.00 O ATOM 138 CB ASN A 11 -7.958 8.381 14.678 1.00 0.00 C ATOM 139 CG ASN A 11 -7.778 8.866 16.118 1.00 0.00 C ATOM 140 OD1 ASN A 11 -7.729 10.189 16.241 1.00 0.00 O flip ATOM 141 ND2 ASN A 11 -7.690 8.089 17.055 1.00 0.00 N flip ATOM 0 H ASN A 11 -8.709 7.411 12.508 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.396 6.874 15.218 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.154 7.692 14.420 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.885 9.227 13.994 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.736 7.084 16.890 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.571 8.445 18.003 1.00 0.00 H new ATOM 147 N ASN A 12 -10.293 9.821 13.965 1.00 0.00 N ATOM 148 CA ASN A 12 -11.265 10.897 14.059 1.00 0.00 C ATOM 149 C ASN A 12 -11.082 11.849 12.875 1.00 0.00 C ATOM 150 O ASN A 12 -11.952 11.948 12.012 1.00 0.00 O ATOM 151 CB ASN A 12 -11.075 11.701 15.346 1.00 0.00 C ATOM 152 CG ASN A 12 -11.533 10.897 16.566 1.00 0.00 C ATOM 153 OD1 ASN A 12 -12.707 10.820 16.887 1.00 0.00 O ATOM 154 ND2 ASN A 12 -10.540 10.306 17.227 1.00 0.00 N ATOM 0 H ASN A 12 -9.541 9.983 13.295 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.260 10.453 14.056 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.025 11.973 15.458 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.640 12.631 15.285 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.741 9.748 18.057 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.578 10.411 16.904 1.00 0.00 H new ATOM 160 N LYS A 13 -9.944 12.528 12.874 1.00 0.00 N ATOM 161 CA LYS A 13 -9.635 13.469 11.811 1.00 0.00 C ATOM 162 C LYS A 13 -8.731 12.790 10.781 1.00 0.00 C ATOM 163 O LYS A 13 -8.837 13.057 9.585 1.00 0.00 O ATOM 164 CB LYS A 13 -9.047 14.757 12.391 1.00 0.00 C ATOM 165 CG LYS A 13 -7.622 14.530 12.898 1.00 0.00 C ATOM 166 CD LYS A 13 -7.379 15.283 14.208 1.00 0.00 C ATOM 167 CE LYS A 13 -6.052 16.043 14.165 1.00 0.00 C ATOM 168 NZ LYS A 13 -5.296 15.836 15.421 1.00 0.00 N ATOM 0 H LYS A 13 -9.225 12.445 13.593 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.545 13.767 11.290 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.046 15.536 11.628 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.675 15.112 13.208 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.452 13.464 13.050 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.907 14.863 12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.197 15.981 14.387 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.372 14.579 15.040 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.459 15.703 13.316 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.240 17.107 14.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.398 16.358 15.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.858 16.182 16.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.101 14.822 15.546 1.00 0.00 H new ATOM 178 N LYS A 14 -7.861 11.925 11.283 1.00 0.00 N ATOM 179 CA LYS A 14 -6.939 11.206 10.420 1.00 0.00 C ATOM 180 C LYS A 14 -7.664 10.018 9.783 1.00 0.00 C ATOM 181 O LYS A 14 -8.871 10.075 9.554 1.00 0.00 O ATOM 182 CB LYS A 14 -5.678 10.813 11.193 1.00 0.00 C ATOM 183 CG LYS A 14 -5.100 12.014 11.944 1.00 0.00 C ATOM 184 CD LYS A 14 -4.597 11.603 13.330 1.00 0.00 C ATOM 185 CE LYS A 14 -5.764 11.246 14.253 1.00 0.00 C ATOM 186 NZ LYS A 14 -5.274 10.534 15.455 1.00 0.00 N ATOM 0 H LYS A 14 -7.775 11.706 12.276 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.600 11.847 9.606 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.913 10.017 11.899 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.932 10.418 10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.281 12.447 11.370 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.863 12.786 12.044 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.926 10.749 13.239 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.019 12.417 13.767 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.291 12.153 14.550 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.480 10.621 13.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.020 10.523 16.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.023 9.557 15.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.435 11.021 15.829 1.00 0.00 H new ATOM 196 N CYS A 15 -6.897 8.973 9.514 1.00 0.00 N ATOM 197 CA CYS A 15 -7.451 7.774 8.908 1.00 0.00 C ATOM 198 C CYS A 15 -6.311 6.781 8.677 1.00 0.00 C ATOM 199 O CYS A 15 -5.502 6.960 7.767 1.00 0.00 O ATOM 200 CB CYS A 15 -8.204 8.091 7.613 1.00 0.00 C ATOM 201 SG CYS A 15 -10.020 8.222 7.793 1.00 0.00 S ATOM 0 H CYS A 15 -5.896 8.931 9.704 1.00 0.00 H new ATOM 0 HA CYS A 15 -8.186 7.331 9.579 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -7.824 9.030 7.209 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.981 7.315 6.880 1.00 0.00 H new ATOM 205 N TRP A 16 -6.282 5.756 9.515 1.00 0.00 N ATOM 206 CA TRP A 16 -5.254 4.735 9.414 1.00 0.00 C ATOM 207 C TRP A 16 -5.823 3.570 8.602 1.00 0.00 C ATOM 208 O TRP A 16 -7.039 3.433 8.474 1.00 0.00 O ATOM 209 CB TRP A 16 -4.761 4.313 10.799 1.00 0.00 C ATOM 210 CG TRP A 16 -5.883 3.976 11.783 1.00 0.00 C ATOM 211 CD1 TRP A 16 -6.921 3.148 11.599 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.039 4.495 13.121 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.731 3.096 12.715 1.00 0.00 N ATOM 214 CE2 TRP A 16 -7.177 3.942 13.670 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.244 5.403 13.842 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -7.624 4.233 14.964 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -5.704 5.684 15.135 1.00 0.00 C ATOM 218 CH2 TRP A 16 -6.847 5.135 15.703 1.00 0.00 C ATOM 0 H TRP A 16 -6.955 5.611 10.268 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.375 5.123 8.899 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.112 3.444 10.693 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -4.154 5.116 11.217 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.101 2.591 10.691 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.579 2.540 12.820 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.350 5.848 13.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -8.519 3.787 15.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.130 6.376 15.733 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.135 5.402 16.709 1.00 0.00 H new ATOM 228 N VAL A 17 -4.918 2.759 8.074 1.00 0.00 N ATOM 229 CA VAL A 17 -5.315 1.610 7.278 1.00 0.00 C ATOM 230 C VAL A 17 -4.440 0.411 7.649 1.00 0.00 C ATOM 231 O VAL A 17 -3.219 0.532 7.736 1.00 0.00 O ATOM 232 CB VAL A 17 -5.253 1.958 5.790 1.00 0.00 C ATOM 233 CG1 VAL A 17 -6.462 2.798 5.372 1.00 0.00 C ATOM 234 CG2 VAL A 17 -3.944 2.673 5.448 1.00 0.00 C ATOM 0 H VAL A 17 -3.910 2.875 8.182 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.348 1.336 7.491 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.282 1.025 5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.393 3.032 4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.377 2.238 5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.478 3.724 5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.926 2.909 4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.871 3.595 6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.102 2.025 5.691 1.00 0.00 H new ATOM 244 N ASN A 18 -5.098 -0.720 7.857 1.00 0.00 N ATOM 245 CA ASN A 18 -4.395 -1.939 8.216 1.00 0.00 C ATOM 246 C ASN A 18 -3.433 -1.648 9.369 1.00 0.00 C ATOM 247 O ASN A 18 -2.294 -1.240 9.144 1.00 0.00 O ATOM 248 CB ASN A 18 -3.575 -2.470 7.038 1.00 0.00 C ATOM 249 CG ASN A 18 -3.909 -3.936 6.755 1.00 0.00 C ATOM 250 OD1 ASN A 18 -4.180 -4.722 7.647 1.00 0.00 O ATOM 251 ND2 ASN A 18 -3.874 -4.259 5.465 1.00 0.00 N ATOM 0 H ASN A 18 -6.111 -0.817 7.784 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.137 -2.684 8.503 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.775 -1.870 6.151 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.512 -2.371 7.256 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.082 -5.214 5.173 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.640 -3.552 4.768 1.00 0.00 H new ATOM 257 N ARG A 19 -3.924 -1.868 10.579 1.00 0.00 N ATOM 258 CA ARG A 19 -3.122 -1.634 11.767 1.00 0.00 C ATOM 259 C ARG A 19 -2.127 -2.778 11.970 1.00 0.00 C ATOM 260 O ARG A 19 -0.920 -2.551 12.037 1.00 0.00 O ATOM 261 CB ARG A 19 -4.004 -1.508 13.012 1.00 0.00 C ATOM 262 CG ARG A 19 -4.809 -0.207 12.984 1.00 0.00 C ATOM 263 CD ARG A 19 -4.590 0.600 14.265 1.00 0.00 C ATOM 264 NE ARG A 19 -4.924 -0.226 15.447 1.00 0.00 N ATOM 265 CZ ARG A 19 -4.785 0.184 16.715 1.00 0.00 C ATOM 266 NH1 ARG A 19 -4.318 1.414 16.973 1.00 0.00 N ATOM 267 NH2 ARG A 19 -5.114 -0.633 17.724 1.00 0.00 N ATOM 0 H ARG A 19 -4.869 -2.206 10.762 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.581 -0.699 11.622 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.683 -2.359 13.069 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.382 -1.536 13.907 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.515 0.389 12.120 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.869 -0.433 12.869 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.553 0.931 14.323 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.210 1.496 14.250 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.283 -1.167 15.286 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.069 2.037 16.204 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.212 1.727 17.938 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.471 -1.568 17.527 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.008 -0.320 18.689 1.00 0.00 H new ATOM 278 N GLY A 20 -2.670 -3.983 12.061 1.00 0.00 N ATOM 279 CA GLY A 20 -1.845 -5.163 12.254 1.00 0.00 C ATOM 280 C GLY A 20 -0.778 -5.272 11.162 1.00 0.00 C ATOM 281 O GLY A 20 0.414 -5.334 11.457 1.00 0.00 O ATOM 0 H GLY A 20 -3.672 -4.168 12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.366 -5.120 13.232 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.472 -6.055 12.245 1.00 0.00 H new ATOM 285 N GLU A 21 -1.246 -5.291 9.923 1.00 0.00 N ATOM 286 CA GLU A 21 -0.348 -5.390 8.785 1.00 0.00 C ATOM 287 C GLU A 21 0.769 -4.352 8.899 1.00 0.00 C ATOM 288 O GLU A 21 1.949 -4.699 8.878 1.00 0.00 O ATOM 289 CB GLU A 21 -1.112 -5.233 7.468 1.00 0.00 C ATOM 290 CG GLU A 21 -0.228 -5.600 6.274 1.00 0.00 C ATOM 291 CD GLU A 21 0.248 -4.346 5.539 1.00 0.00 C ATOM 292 OE1 GLU A 21 -0.565 -3.640 4.925 1.00 0.00 O ATOM 293 OE2 GLU A 21 1.515 -4.114 5.621 1.00 0.00 O ATOM 0 H GLU A 21 -2.236 -5.240 9.682 1.00 0.00 H new ATOM 0 HA GLU A 21 0.104 -6.382 8.788 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.997 -5.869 7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.460 -4.205 7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.633 -6.174 6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.784 -6.239 5.588 1.00 0.00 H new ATOM 299 N ALA A 22 0.359 -3.097 9.015 1.00 0.00 N ATOM 300 CA ALA A 22 1.311 -2.007 9.131 1.00 0.00 C ATOM 301 C ALA A 22 2.225 -2.258 10.332 1.00 0.00 C ATOM 302 O ALA A 22 3.445 -2.142 10.223 1.00 0.00 O ATOM 303 CB ALA A 22 0.556 -0.680 9.242 1.00 0.00 C ATOM 0 H ALA A 22 -0.620 -2.812 9.031 1.00 0.00 H new ATOM 0 HA ALA A 22 1.941 -1.952 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.270 0.139 9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.056 -0.534 8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.084 -0.698 10.124 1.00 0.00 H new ATOM 309 N THR A 23 1.601 -2.600 11.449 1.00 0.00 N ATOM 310 CA THR A 23 2.342 -2.870 12.669 1.00 0.00 C ATOM 311 C THR A 23 3.403 -3.944 12.421 1.00 0.00 C ATOM 312 O THR A 23 4.600 -3.668 12.490 1.00 0.00 O ATOM 313 CB THR A 23 1.338 -3.248 13.760 1.00 0.00 C ATOM 314 OG1 THR A 23 1.090 -2.021 14.443 1.00 0.00 O ATOM 315 CG2 THR A 23 1.950 -4.153 14.831 1.00 0.00 C ATOM 0 H THR A 23 0.589 -2.696 11.535 1.00 0.00 H new ATOM 0 HA THR A 23 2.888 -1.988 13.003 1.00 0.00 H new ATOM 0 HB THR A 23 0.482 -3.749 13.308 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.447 -2.174 15.167 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.195 -4.391 15.581 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.306 -5.074 14.369 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.785 -3.640 15.307 1.00 0.00 H new ATOM 323 N GLN A 24 2.926 -5.148 12.137 1.00 0.00 N ATOM 324 CA GLN A 24 3.818 -6.265 11.879 1.00 0.00 C ATOM 325 C GLN A 24 4.829 -5.896 10.793 1.00 0.00 C ATOM 326 O GLN A 24 5.913 -6.474 10.726 1.00 0.00 O ATOM 327 CB GLN A 24 3.029 -7.517 11.492 1.00 0.00 C ATOM 328 CG GLN A 24 2.342 -7.336 10.136 1.00 0.00 C ATOM 329 CD GLN A 24 2.297 -8.656 9.364 1.00 0.00 C ATOM 330 OE1 GLN A 24 2.527 -9.727 9.900 1.00 0.00 O ATOM 331 NE2 GLN A 24 1.989 -8.519 8.078 1.00 0.00 N ATOM 0 H GLN A 24 1.933 -5.374 12.080 1.00 0.00 H new ATOM 0 HA GLN A 24 4.365 -6.489 12.795 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.699 -8.376 11.452 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.282 -7.731 12.256 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.329 -6.963 10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.875 -6.587 9.551 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.808 -7.592 7.693 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.934 -9.341 7.476 1.00 0.00 H new ATOM 338 N SER A 25 4.439 -4.935 9.967 1.00 0.00 N ATOM 339 CA SER A 25 5.299 -4.482 8.887 1.00 0.00 C ATOM 340 C SER A 25 6.642 -4.010 9.449 1.00 0.00 C ATOM 341 O SER A 25 6.689 -3.363 10.494 1.00 0.00 O ATOM 342 CB SER A 25 4.635 -3.359 8.088 1.00 0.00 C ATOM 343 OG SER A 25 4.774 -3.549 6.683 1.00 0.00 O ATOM 0 H SER A 25 3.539 -4.458 10.024 1.00 0.00 H new ATOM 0 HA SER A 25 5.469 -5.321 8.212 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.577 -3.309 8.344 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.077 -2.403 8.370 1.00 0.00 H new ATOM 0 HG SER A 25 4.335 -2.812 6.208 1.00 0.00 H new ATOM 348 N ILE A 26 7.701 -4.353 8.730 1.00 0.00 N ATOM 349 CA ILE A 26 9.041 -3.973 9.144 1.00 0.00 C ATOM 350 C ILE A 26 9.104 -2.453 9.319 1.00 0.00 C ATOM 351 O ILE A 26 9.661 -1.960 10.297 1.00 0.00 O ATOM 352 CB ILE A 26 10.080 -4.523 8.166 1.00 0.00 C ATOM 353 CG1 ILE A 26 9.762 -4.099 6.730 1.00 0.00 C ATOM 354 CG2 ILE A 26 10.208 -6.041 8.300 1.00 0.00 C ATOM 355 CD1 ILE A 26 10.674 -2.955 6.282 1.00 0.00 C ATOM 0 H ILE A 26 7.658 -4.890 7.864 1.00 0.00 H new ATOM 0 HA ILE A 26 9.281 -4.416 10.110 1.00 0.00 H new ATOM 0 HB ILE A 26 11.049 -4.094 8.420 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.884 -4.950 6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.720 -3.786 6.661 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.953 -6.407 7.594 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.516 -6.292 9.315 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.246 -6.507 8.087 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.427 -2.673 5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.531 -2.097 6.939 1.00 0.00 H new ATOM 0 HD13 ILE A 26 11.714 -3.279 6.329 1.00 0.00 H new ATOM 366 N ILE A 27 8.526 -1.755 8.353 1.00 0.00 N ATOM 367 CA ILE A 27 8.509 -0.302 8.387 1.00 0.00 C ATOM 368 C ILE A 27 7.956 0.166 9.734 1.00 0.00 C ATOM 369 O ILE A 27 8.405 1.175 10.278 1.00 0.00 O ATOM 370 CB ILE A 27 7.748 0.254 7.183 1.00 0.00 C ATOM 371 CG1 ILE A 27 8.188 1.685 6.868 1.00 0.00 C ATOM 372 CG2 ILE A 27 6.236 0.154 7.396 1.00 0.00 C ATOM 373 CD1 ILE A 27 8.417 1.870 5.366 1.00 0.00 C ATOM 0 H ILE A 27 8.066 -2.168 7.542 1.00 0.00 H new ATOM 0 HA ILE A 27 9.522 0.092 8.304 1.00 0.00 H new ATOM 0 HB ILE A 27 7.993 -0.357 6.314 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.429 2.387 7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.105 1.915 7.410 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.718 0.556 6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.956 -0.890 7.534 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.955 0.725 8.281 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.729 2.896 5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.194 1.183 5.029 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.492 1.663 4.829 1.00 0.00 H new ATOM 384 N GLY A 28 6.988 -0.588 10.235 1.00 0.00 N ATOM 385 CA GLY A 28 6.369 -0.264 11.508 1.00 0.00 C ATOM 386 C GLY A 28 5.673 1.097 11.449 1.00 0.00 C ATOM 387 O GLY A 28 6.305 2.131 11.660 1.00 0.00 O ATOM 0 H GLY A 28 6.617 -1.423 9.781 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.645 -1.035 11.771 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.126 -0.256 12.293 1.00 0.00 H new ATOM 391 N GLY A 29 4.381 1.054 11.158 1.00 0.00 N ATOM 392 CA GLY A 29 3.592 2.271 11.068 1.00 0.00 C ATOM 393 C GLY A 29 3.318 2.852 12.456 1.00 0.00 C ATOM 394 O GLY A 29 3.615 4.016 12.716 1.00 0.00 O ATOM 0 H GLY A 29 3.861 0.195 10.981 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.119 3.006 10.460 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.648 2.060 10.566 1.00 0.00 H new ATOM 398 N MET A 30 2.754 2.012 13.313 1.00 0.00 N ATOM 399 CA MET A 30 2.437 2.426 14.668 1.00 0.00 C ATOM 400 C MET A 30 3.689 2.911 15.401 1.00 0.00 C ATOM 401 O MET A 30 3.701 4.007 15.961 1.00 0.00 O ATOM 402 CB MET A 30 1.821 1.251 15.432 1.00 0.00 C ATOM 403 CG MET A 30 0.304 1.208 15.241 1.00 0.00 C ATOM 404 SD MET A 30 -0.515 1.629 16.770 1.00 0.00 S ATOM 405 CE MET A 30 -0.923 -0.005 17.362 1.00 0.00 C ATOM 0 H MET A 30 2.509 1.046 13.094 1.00 0.00 H new ATOM 0 HA MET A 30 1.726 3.251 14.618 1.00 0.00 H new ATOM 0 HB2 MET A 30 2.261 0.316 15.085 1.00 0.00 H new ATOM 0 HB3 MET A 30 2.055 1.340 16.493 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.008 1.904 14.456 1.00 0.00 H new ATOM 0 HG3 MET A 30 -0.002 0.213 14.917 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.444 0.073 18.316 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.566 -0.504 16.638 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.008 -0.583 17.494 1.00 0.00 H new ATOM 413 N ILE A 31 4.715 2.073 15.373 1.00 0.00 N ATOM 414 CA ILE A 31 5.969 2.402 16.028 1.00 0.00 C ATOM 415 C ILE A 31 6.470 3.752 15.511 1.00 0.00 C ATOM 416 O ILE A 31 6.734 4.662 16.296 1.00 0.00 O ATOM 417 CB ILE A 31 6.979 1.265 15.856 1.00 0.00 C ATOM 418 CG1 ILE A 31 8.295 1.589 16.563 1.00 0.00 C ATOM 419 CG2 ILE A 31 7.187 0.937 14.376 1.00 0.00 C ATOM 420 CD1 ILE A 31 9.322 0.475 16.348 1.00 0.00 C ATOM 0 H ILE A 31 4.703 1.166 14.906 1.00 0.00 H new ATOM 0 HA ILE A 31 5.821 2.506 17.103 1.00 0.00 H new ATOM 0 HB ILE A 31 6.572 0.371 16.330 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.692 2.532 16.186 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.116 1.722 17.630 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.909 0.126 14.281 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.238 0.632 13.934 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.562 1.819 13.857 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.249 0.731 16.861 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.932 -0.461 16.748 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.517 0.361 15.282 1.00 0.00 H new ATOM 431 N SER A 32 6.586 3.840 14.194 1.00 0.00 N ATOM 432 CA SER A 32 7.050 5.063 13.563 1.00 0.00 C ATOM 433 C SER A 32 6.400 6.276 14.231 1.00 0.00 C ATOM 434 O SER A 32 7.027 7.325 14.369 1.00 0.00 O ATOM 435 CB SER A 32 6.749 5.058 12.063 1.00 0.00 C ATOM 436 OG SER A 32 7.200 6.249 11.423 1.00 0.00 O ATOM 0 H SER A 32 6.366 3.083 13.546 1.00 0.00 H new ATOM 0 HA SER A 32 8.131 5.123 13.689 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.227 4.195 11.600 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.676 4.948 11.909 1.00 0.00 H new ATOM 0 HG SER A 32 6.990 6.206 10.467 1.00 0.00 H new ATOM 441 N GLY A 33 5.149 6.092 14.628 1.00 0.00 N ATOM 442 CA GLY A 33 4.406 7.159 15.278 1.00 0.00 C ATOM 443 C GLY A 33 4.913 7.390 16.704 1.00 0.00 C ATOM 444 O GLY A 33 5.046 8.531 17.142 1.00 0.00 O ATOM 0 H GLY A 33 4.631 5.221 14.512 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.502 8.078 14.700 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.346 6.907 15.301 1.00 0.00 H new ATOM 448 N TRP A 34 5.180 6.287 17.389 1.00 0.00 N ATOM 449 CA TRP A 34 5.669 6.355 18.755 1.00 0.00 C ATOM 450 C TRP A 34 6.967 7.166 18.753 1.00 0.00 C ATOM 451 O TRP A 34 7.086 8.154 19.478 1.00 0.00 O ATOM 452 CB TRP A 34 5.841 4.954 19.346 1.00 0.00 C ATOM 453 CG TRP A 34 6.035 4.938 20.863 1.00 0.00 C ATOM 454 CD1 TRP A 34 5.307 5.569 21.795 1.00 0.00 C ATOM 455 CD2 TRP A 34 7.060 4.228 21.592 1.00 0.00 C ATOM 456 NE1 TRP A 34 5.785 5.319 23.065 1.00 0.00 N ATOM 457 CE2 TRP A 34 6.884 4.477 22.938 1.00 0.00 C ATOM 458 CE3 TRP A 34 8.099 3.402 21.129 1.00 0.00 C ATOM 459 CZ2 TRP A 34 7.711 3.938 23.931 1.00 0.00 C ATOM 460 CZ3 TRP A 34 8.917 2.873 22.134 1.00 0.00 C ATOM 461 CH2 TRP A 34 8.753 3.113 23.492 1.00 0.00 C ATOM 0 H TRP A 34 5.067 5.342 17.023 1.00 0.00 H new ATOM 0 HA TRP A 34 4.946 6.856 19.399 1.00 0.00 H new ATOM 0 HB2 TRP A 34 4.965 4.355 19.096 1.00 0.00 H new ATOM 0 HB3 TRP A 34 6.700 4.475 18.875 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.453 6.195 21.579 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.402 5.685 23.937 1.00 0.00 H new ATOM 0 HE3 TRP A 34 8.254 3.192 20.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 7.553 4.147 24.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 9.733 2.233 21.832 1.00 0.00 H new ATOM 0 HH2 TRP A 34 9.427 2.665 24.207 1.00 0.00 H new ATOM 471 N ALA A 35 7.905 6.719 17.932 1.00 0.00 N ATOM 472 CA ALA A 35 9.189 7.392 17.827 1.00 0.00 C ATOM 473 C ALA A 35 8.970 8.829 17.352 1.00 0.00 C ATOM 474 O ALA A 35 9.660 9.746 17.795 1.00 0.00 O ATOM 475 CB ALA A 35 10.105 6.601 16.890 1.00 0.00 C ATOM 0 H ALA A 35 7.802 5.900 17.333 1.00 0.00 H new ATOM 0 HA ALA A 35 9.679 7.438 18.800 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.068 7.106 16.811 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.253 5.597 17.288 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.647 6.536 15.903 1.00 0.00 H new ATOM 481 N SER A 36 8.005 8.983 16.456 1.00 0.00 N ATOM 482 CA SER A 36 7.686 10.293 15.916 1.00 0.00 C ATOM 483 C SER A 36 7.149 11.199 17.025 1.00 0.00 C ATOM 484 O SER A 36 7.389 12.405 17.017 1.00 0.00 O ATOM 485 CB SER A 36 6.669 10.186 14.777 1.00 0.00 C ATOM 486 OG SER A 36 7.296 10.225 13.498 1.00 0.00 O ATOM 0 H SER A 36 7.434 8.221 16.091 1.00 0.00 H new ATOM 0 HA SER A 36 8.599 10.729 15.511 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.108 9.257 14.878 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.951 11.002 14.854 1.00 0.00 H new ATOM 0 HG SER A 36 7.508 9.313 13.210 1.00 0.00 H new ATOM 491 N GLY A 37 6.430 10.584 17.953 1.00 0.00 N ATOM 492 CA GLY A 37 5.856 11.320 19.066 1.00 0.00 C ATOM 493 C GLY A 37 6.946 11.792 20.030 1.00 0.00 C ATOM 494 O GLY A 37 7.054 12.984 20.314 1.00 0.00 O ATOM 0 H GLY A 37 6.232 9.583 17.956 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.300 12.179 18.691 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.145 10.687 19.597 1.00 0.00 H new ATOM 498 N LEU A 38 7.725 10.834 20.508 1.00 0.00 N ATOM 499 CA LEU A 38 8.803 11.137 21.434 1.00 0.00 C ATOM 500 C LEU A 38 9.762 12.137 20.785 1.00 0.00 C ATOM 501 O LEU A 38 10.119 13.145 21.393 1.00 0.00 O ATOM 502 CB LEU A 38 9.483 9.851 21.906 1.00 0.00 C ATOM 503 CG LEU A 38 10.056 8.953 20.807 1.00 0.00 C ATOM 504 CD1 LEU A 38 11.483 9.369 20.447 1.00 0.00 C ATOM 505 CD2 LEU A 38 9.971 7.478 21.204 1.00 0.00 C ATOM 0 H LEU A 38 7.631 9.846 20.271 1.00 0.00 H new ATOM 0 HA LEU A 38 8.409 11.610 22.334 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.291 10.119 22.586 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.761 9.272 22.481 1.00 0.00 H new ATOM 0 HG LEU A 38 9.449 9.080 19.911 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.866 8.715 19.664 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.483 10.399 20.091 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.119 9.290 21.329 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.385 6.862 20.406 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.539 7.314 22.120 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.929 7.205 21.370 1.00 0.00 H new ATOM 516 N ALA A 39 10.152 11.824 19.558 1.00 0.00 N ATOM 517 CA ALA A 39 11.062 12.682 18.819 1.00 0.00 C ATOM 518 C ALA A 39 10.346 13.984 18.456 1.00 0.00 C ATOM 519 O ALA A 39 10.969 15.043 18.399 1.00 0.00 O ATOM 520 CB ALA A 39 11.579 11.938 17.587 1.00 0.00 C ATOM 0 H ALA A 39 9.854 10.987 19.057 1.00 0.00 H new ATOM 0 HA ALA A 39 11.927 12.940 19.430 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.262 12.582 17.033 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.105 11.036 17.901 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.739 11.664 16.948 1.00 0.00 H new ATOM 526 N GLY A 40 9.048 13.863 18.220 1.00 0.00 N ATOM 527 CA GLY A 40 8.241 15.018 17.865 1.00 0.00 C ATOM 528 C GLY A 40 7.899 15.850 19.102 1.00 0.00 C ATOM 529 O GLY A 40 6.727 16.018 19.438 1.00 0.00 O ATOM 0 H GLY A 40 8.535 12.983 18.268 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.779 15.635 17.145 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.323 14.689 17.379 1.00 0.00 H new ATOM 533 N MET A 41 8.943 16.350 19.747 1.00 0.00 N ATOM 534 CA MET A 41 8.768 17.162 20.939 1.00 0.00 C ATOM 535 C MET A 41 7.837 16.472 21.939 1.00 0.00 C ATOM 536 O MET A 41 8.169 16.346 23.116 1.00 0.00 O ATOM 537 CB MET A 41 8.184 18.521 20.551 1.00 0.00 C ATOM 538 CG MET A 41 8.864 19.651 21.326 1.00 0.00 C ATOM 539 SD MET A 41 7.742 20.315 22.546 1.00 0.00 S ATOM 540 CE MET A 41 7.241 21.816 21.721 1.00 0.00 C ATOM 0 H MET A 41 9.913 16.208 19.466 1.00 0.00 H new ATOM 0 HA MET A 41 9.742 17.297 21.410 1.00 0.00 H new ATOM 0 HB2 MET A 41 8.310 18.683 19.480 1.00 0.00 H new ATOM 0 HB3 MET A 41 7.113 18.531 20.751 1.00 0.00 H new ATOM 0 HG2 MET A 41 9.765 19.278 21.813 1.00 0.00 H new ATOM 0 HG3 MET A 41 9.175 20.438 20.639 1.00 0.00 H new ATOM 0 HE1 MET A 41 6.534 22.358 22.349 1.00 0.00 H new ATOM 0 HE2 MET A 41 8.116 22.440 21.538 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.767 21.568 20.771 1.00 0.00 H new TER 548 MET A 41