USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 248 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 ASN : amide:sc= -0.458 X(o=-3.5,f=-3.7!) USER MOD Set 1.2: A 12 ASN : amide:sc= -3.07 K(o=-3.5,f=-6.7!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 41:sc= 0.939 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.7) 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 14 LYS NZ :NH3+ 134:sc= 0 (180deg=-0.711) USER MOD Single : A 18 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.981 X(o=-0.98,f=-0.98) USER MOD Single : A 25 SER OG : rot 85:sc= 0.452 USER MOD Single : A 30 MET CE :methyl 172:sc= -0.169 (180deg=-0.355) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.267 6.231 13.932 1.00 0.00 N ATOM 2 CA ALA A 1 -19.646 4.952 13.354 1.00 0.00 C ATOM 3 C ALA A 1 -19.523 3.861 14.417 1.00 0.00 C ATOM 4 O ALA A 1 -20.499 3.181 14.730 1.00 0.00 O ATOM 5 CB ALA A 1 -18.779 4.671 12.125 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.350 6.976 13.211 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.896 6.451 14.731 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.284 6.182 14.268 1.00 0.00 H new ATOM 0 HA ALA A 1 -20.684 4.972 13.022 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.063 3.712 11.691 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.926 5.460 11.388 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.730 4.640 12.419 1.00 0.00 H new ATOM 11 N ARG A 2 -18.315 3.725 14.944 1.00 0.00 N ATOM 12 CA ARG A 2 -18.052 2.726 15.966 1.00 0.00 C ATOM 13 C ARG A 2 -17.566 3.398 17.252 1.00 0.00 C ATOM 14 O ARG A 2 -17.561 4.624 17.352 1.00 0.00 O ATOM 15 CB ARG A 2 -17.000 1.720 15.496 1.00 0.00 C ATOM 16 CG ARG A 2 -17.659 0.496 14.857 1.00 0.00 C ATOM 17 CD ARG A 2 -18.379 -0.350 15.911 1.00 0.00 C ATOM 18 NE ARG A 2 -19.368 -1.237 15.257 1.00 0.00 N ATOM 19 CZ ARG A 2 -20.427 -1.770 15.883 1.00 0.00 C ATOM 20 NH1 ARG A 2 -20.639 -1.511 17.180 1.00 0.00 N ATOM 21 NH2 ARG A 2 -21.272 -2.563 15.210 1.00 0.00 N ATOM 0 H ARG A 2 -17.507 4.290 14.682 1.00 0.00 H new ATOM 0 HA ARG A 2 -18.985 2.196 16.158 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -16.333 2.195 14.777 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -16.387 1.408 16.341 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -18.369 0.817 14.095 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -16.903 -0.108 14.354 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -17.656 -0.946 16.468 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -18.879 0.298 16.631 1.00 0.00 H new ATOM 0 HE ARG A 2 -19.235 -1.456 14.270 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -19.995 -0.908 17.692 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -21.445 -1.917 17.656 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -21.109 -2.760 14.223 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -22.078 -2.969 15.685 1.00 0.00 H new ATOM 32 N SER A 3 -17.170 2.566 18.203 1.00 0.00 N ATOM 33 CA SER A 3 -16.682 3.064 19.479 1.00 0.00 C ATOM 34 C SER A 3 -16.013 1.932 20.261 1.00 0.00 C ATOM 35 O SER A 3 -16.240 1.785 21.462 1.00 0.00 O ATOM 36 CB SER A 3 -17.818 3.678 20.299 1.00 0.00 C ATOM 37 OG SER A 3 -17.967 5.073 20.043 1.00 0.00 O ATOM 0 H SER A 3 -17.177 1.550 18.116 1.00 0.00 H new ATOM 0 HA SER A 3 -15.947 3.845 19.284 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.751 3.165 20.067 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.624 3.523 21.360 1.00 0.00 H new ATOM 0 HG SER A 3 -17.863 5.242 19.083 1.00 0.00 H new ATOM 42 N TYR A 4 -15.204 1.162 19.551 1.00 0.00 N ATOM 43 CA TYR A 4 -14.501 0.047 20.164 1.00 0.00 C ATOM 44 C TYR A 4 -13.388 0.545 21.089 1.00 0.00 C ATOM 45 O TYR A 4 -13.556 0.577 22.308 1.00 0.00 O ATOM 46 CB TYR A 4 -13.876 -0.742 19.012 1.00 0.00 C ATOM 47 CG TYR A 4 -14.720 -1.929 18.542 1.00 0.00 C ATOM 48 CD1 TYR A 4 -14.642 -3.137 19.206 1.00 0.00 C ATOM 49 CD2 TYR A 4 -15.557 -1.791 17.454 1.00 0.00 C ATOM 50 CE1 TYR A 4 -15.436 -4.252 18.763 1.00 0.00 C ATOM 51 CE2 TYR A 4 -16.351 -2.908 17.011 1.00 0.00 C ATOM 52 CZ TYR A 4 -16.251 -4.084 17.688 1.00 0.00 C ATOM 53 OH TYR A 4 -17.001 -5.139 17.269 1.00 0.00 O ATOM 0 H TYR A 4 -15.019 1.287 18.556 1.00 0.00 H new ATOM 0 HA TYR A 4 -15.184 -0.557 20.761 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -13.713 -0.069 18.170 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -12.897 -1.106 19.323 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -13.986 -3.245 20.057 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -15.617 -0.846 16.935 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -15.386 -5.202 19.274 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -17.011 -2.814 16.161 1.00 0.00 H new ATOM 0 HH TYR A 4 -17.535 -4.872 16.492 1.00 0.00 H new ATOM 62 N GLY A 5 -12.275 0.919 20.476 1.00 0.00 N ATOM 63 CA GLY A 5 -11.135 1.412 21.229 1.00 0.00 C ATOM 64 C GLY A 5 -9.876 1.444 20.360 1.00 0.00 C ATOM 65 O GLY A 5 -9.041 2.336 20.503 1.00 0.00 O ATOM 0 H GLY A 5 -12.138 0.890 19.466 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.348 2.413 21.604 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.966 0.776 22.098 1.00 0.00 H new ATOM 69 N ASN A 6 -9.780 0.461 19.478 1.00 0.00 N ATOM 70 CA ASN A 6 -8.637 0.365 18.585 1.00 0.00 C ATOM 71 C ASN A 6 -8.954 1.094 17.277 1.00 0.00 C ATOM 72 O ASN A 6 -8.532 0.664 16.205 1.00 0.00 O ATOM 73 CB ASN A 6 -8.321 -1.094 18.248 1.00 0.00 C ATOM 74 CG ASN A 6 -6.988 -1.209 17.508 1.00 0.00 C ATOM 75 OD1 ASN A 6 -5.960 -0.718 17.947 1.00 0.00 O ATOM 76 ND2 ASN A 6 -7.060 -1.884 16.364 1.00 0.00 N ATOM 0 H ASN A 6 -10.475 -0.277 19.362 1.00 0.00 H new ATOM 0 HA ASN A 6 -7.779 0.813 19.087 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -8.284 -1.683 19.164 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -9.119 -1.510 17.633 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.223 -2.016 15.796 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.952 -2.269 16.054 1.00 0.00 H new ATOM 82 N GLY A 7 -9.694 2.185 17.410 1.00 0.00 N ATOM 83 CA GLY A 7 -10.072 2.977 16.252 1.00 0.00 C ATOM 84 C GLY A 7 -11.326 2.409 15.584 1.00 0.00 C ATOM 85 O GLY A 7 -12.435 2.876 15.839 1.00 0.00 O ATOM 0 H GLY A 7 -10.042 2.539 18.301 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.253 4.008 16.556 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.251 2.995 15.536 1.00 0.00 H new ATOM 89 N VAL A 8 -11.107 1.408 14.743 1.00 0.00 N ATOM 90 CA VAL A 8 -12.206 0.771 14.037 1.00 0.00 C ATOM 91 C VAL A 8 -12.788 1.751 13.016 1.00 0.00 C ATOM 92 O VAL A 8 -12.715 1.515 11.811 1.00 0.00 O ATOM 93 CB VAL A 8 -13.246 0.262 15.037 1.00 0.00 C ATOM 94 CG1 VAL A 8 -14.358 -0.512 14.325 1.00 0.00 C ATOM 95 CG2 VAL A 8 -12.590 -0.593 16.123 1.00 0.00 C ATOM 0 H VAL A 8 -10.186 1.023 14.535 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.851 -0.100 13.486 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.698 1.128 15.521 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.084 -0.863 15.058 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.854 0.141 13.607 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.929 -1.367 13.802 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.351 -0.942 16.821 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.098 -1.450 15.664 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.852 0.004 16.660 1.00 0.00 H new ATOM 105 N TYR A 9 -13.352 2.831 13.536 1.00 0.00 N ATOM 106 CA TYR A 9 -13.945 3.848 12.685 1.00 0.00 C ATOM 107 C TYR A 9 -12.910 4.902 12.284 1.00 0.00 C ATOM 108 O TYR A 9 -13.230 6.085 12.182 1.00 0.00 O ATOM 109 CB TYR A 9 -15.036 4.517 13.525 1.00 0.00 C ATOM 110 CG TYR A 9 -14.547 5.039 14.877 1.00 0.00 C ATOM 111 CD1 TYR A 9 -14.004 6.304 14.974 1.00 0.00 C ATOM 112 CD2 TYR A 9 -14.650 4.244 16.001 1.00 0.00 C ATOM 113 CE1 TYR A 9 -13.545 6.795 16.248 1.00 0.00 C ATOM 114 CE2 TYR A 9 -14.191 4.736 17.275 1.00 0.00 C ATOM 115 CZ TYR A 9 -13.661 5.987 17.335 1.00 0.00 C ATOM 116 OH TYR A 9 -13.226 6.450 18.538 1.00 0.00 O ATOM 0 H TYR A 9 -13.411 3.024 14.536 1.00 0.00 H new ATOM 0 HA TYR A 9 -14.335 3.402 11.770 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.459 5.346 12.958 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -15.841 3.802 13.693 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -13.923 6.926 14.095 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.074 3.254 15.925 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -13.118 7.783 16.338 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.266 4.125 18.162 1.00 0.00 H new ATOM 0 HH TYR A 9 -13.373 5.766 19.224 1.00 0.00 H new ATOM 125 N CYS A 10 -11.690 4.433 12.070 1.00 0.00 N ATOM 126 CA CYS A 10 -10.605 5.319 11.683 1.00 0.00 C ATOM 127 C CYS A 10 -10.209 6.155 12.902 1.00 0.00 C ATOM 128 O CYS A 10 -10.867 6.095 13.939 1.00 0.00 O ATOM 129 CB CYS A 10 -10.990 6.197 10.489 1.00 0.00 C ATOM 130 SG CYS A 10 -11.674 5.287 9.056 1.00 0.00 S ATOM 0 H CYS A 10 -11.428 3.451 12.157 1.00 0.00 H new ATOM 0 HA CYS A 10 -9.749 4.729 11.355 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.724 6.932 10.818 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.109 6.750 10.163 1.00 0.00 H new ATOM 134 N ASN A 11 -9.135 6.913 12.736 1.00 0.00 N ATOM 135 CA ASN A 11 -8.644 7.759 13.810 1.00 0.00 C ATOM 136 C ASN A 11 -9.268 9.151 13.683 1.00 0.00 C ATOM 137 O ASN A 11 -10.160 9.507 14.452 1.00 0.00 O ATOM 138 CB ASN A 11 -7.123 7.915 13.737 1.00 0.00 C ATOM 139 CG ASN A 11 -6.457 7.396 15.012 1.00 0.00 C ATOM 140 OD1 ASN A 11 -6.680 6.279 15.450 1.00 0.00 O ATOM 141 ND2 ASN A 11 -5.630 8.267 15.583 1.00 0.00 N ATOM 0 H ASN A 11 -8.591 6.959 11.874 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.914 7.292 14.757 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.739 7.370 12.874 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.868 8.965 13.591 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.137 8.016 16.440 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.489 9.186 15.164 1.00 0.00 H new ATOM 147 N ASN A 12 -8.776 9.899 12.707 1.00 0.00 N ATOM 148 CA ASN A 12 -9.274 11.243 12.469 1.00 0.00 C ATOM 149 C ASN A 12 -8.650 11.794 11.186 1.00 0.00 C ATOM 150 O ASN A 12 -9.361 12.229 10.282 1.00 0.00 O ATOM 151 CB ASN A 12 -8.898 12.181 13.618 1.00 0.00 C ATOM 152 CG ASN A 12 -7.451 11.954 14.060 1.00 0.00 C ATOM 153 OD1 ASN A 12 -6.519 12.560 13.557 1.00 0.00 O ATOM 154 ND2 ASN A 12 -7.314 11.050 15.026 1.00 0.00 N ATOM 0 H ASN A 12 -8.037 9.600 12.071 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.360 11.190 12.386 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.028 13.217 13.304 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.569 12.017 14.461 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.387 10.828 15.389 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -8.136 10.579 15.404 1.00 0.00 H new ATOM 160 N LYS A 13 -7.326 11.760 11.148 1.00 0.00 N ATOM 161 CA LYS A 13 -6.598 12.251 9.990 1.00 0.00 C ATOM 162 C LYS A 13 -6.620 11.188 8.890 1.00 0.00 C ATOM 163 O LYS A 13 -6.644 11.516 7.705 1.00 0.00 O ATOM 164 CB LYS A 13 -5.189 12.692 10.391 1.00 0.00 C ATOM 165 CG LYS A 13 -4.322 11.487 10.764 1.00 0.00 C ATOM 166 CD LYS A 13 -3.694 11.670 12.147 1.00 0.00 C ATOM 167 CE LYS A 13 -2.857 10.450 12.535 1.00 0.00 C ATOM 168 NZ LYS A 13 -1.461 10.848 12.818 1.00 0.00 N ATOM 0 H LYS A 13 -6.739 11.400 11.900 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.082 13.139 9.584 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.726 13.236 9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.246 13.379 11.235 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.928 10.581 10.753 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.537 11.355 10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.067 12.562 12.150 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.478 11.828 12.888 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.289 9.969 13.413 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.876 9.717 11.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.907 10.008 13.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.046 11.286 11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.447 11.530 13.603 1.00 0.00 H new ATOM 178 N LYS A 14 -6.611 9.935 9.322 1.00 0.00 N ATOM 179 CA LYS A 14 -6.629 8.821 8.389 1.00 0.00 C ATOM 180 C LYS A 14 -7.281 7.611 9.060 1.00 0.00 C ATOM 181 O LYS A 14 -7.681 7.681 10.221 1.00 0.00 O ATOM 182 CB LYS A 14 -5.222 8.545 7.855 1.00 0.00 C ATOM 183 CG LYS A 14 -4.247 8.264 9.001 1.00 0.00 C ATOM 184 CD LYS A 14 -4.192 6.770 9.320 1.00 0.00 C ATOM 185 CE LYS A 14 -4.203 6.530 10.831 1.00 0.00 C ATOM 186 NZ LYS A 14 -2.904 6.915 11.425 1.00 0.00 N ATOM 0 H LYS A 14 -6.591 9.667 10.306 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.233 9.066 7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.247 7.692 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.874 9.401 7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.252 8.619 8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.554 8.818 9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.043 6.265 8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.292 6.335 8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.005 7.107 11.291 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.407 5.479 11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.068 7.480 12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.368 6.059 11.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.361 7.477 10.739 1.00 0.00 H new ATOM 196 N CYS A 15 -7.367 6.529 8.300 1.00 0.00 N ATOM 197 CA CYS A 15 -7.963 5.304 8.806 1.00 0.00 C ATOM 198 C CYS A 15 -6.836 4.349 9.204 1.00 0.00 C ATOM 199 O CYS A 15 -6.235 4.501 10.266 1.00 0.00 O ATOM 200 CB CYS A 15 -8.912 4.673 7.785 1.00 0.00 C ATOM 201 SG CYS A 15 -10.460 5.605 7.497 1.00 0.00 S ATOM 0 H CYS A 15 -7.034 6.475 7.337 1.00 0.00 H new ATOM 0 HA CYS A 15 -8.573 5.528 9.681 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.385 4.569 6.836 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.167 3.668 8.120 1.00 0.00 H new ATOM 205 N TRP A 16 -6.582 3.386 8.329 1.00 0.00 N ATOM 206 CA TRP A 16 -5.538 2.407 8.574 1.00 0.00 C ATOM 207 C TRP A 16 -5.107 1.827 7.227 1.00 0.00 C ATOM 208 O TRP A 16 -3.914 1.724 6.943 1.00 0.00 O ATOM 209 CB TRP A 16 -6.010 1.339 9.563 1.00 0.00 C ATOM 210 CG TRP A 16 -7.214 1.760 10.406 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.512 1.516 10.173 1.00 0.00 C ATOM 212 CD2 TRP A 16 -7.182 2.513 11.637 1.00 0.00 C ATOM 213 NE1 TRP A 16 -9.314 2.055 11.158 1.00 0.00 N ATOM 214 CE2 TRP A 16 -8.479 2.681 12.076 1.00 0.00 C ATOM 215 CE3 TRP A 16 -6.091 3.036 12.355 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -8.808 3.371 13.249 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -6.437 3.724 13.524 1.00 0.00 C ATOM 218 CH2 TRP A 16 -7.737 3.901 13.981 1.00 0.00 C ATOM 0 H TRP A 16 -7.082 3.264 7.449 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.672 2.875 9.043 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -6.265 0.434 9.011 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.185 1.085 10.228 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.883 0.966 9.321 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.332 2.004 11.204 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.068 2.916 12.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.832 3.488 13.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.636 4.147 14.112 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.921 4.444 14.896 1.00 0.00 H new ATOM 228 N VAL A 17 -6.101 1.461 6.430 1.00 0.00 N ATOM 229 CA VAL A 17 -5.840 0.894 5.119 1.00 0.00 C ATOM 230 C VAL A 17 -5.107 -0.439 5.282 1.00 0.00 C ATOM 231 O VAL A 17 -5.720 -1.502 5.195 1.00 0.00 O ATOM 232 CB VAL A 17 -5.071 1.898 4.258 1.00 0.00 C ATOM 233 CG1 VAL A 17 -4.272 1.184 3.165 1.00 0.00 C ATOM 234 CG2 VAL A 17 -6.015 2.940 3.655 1.00 0.00 C ATOM 0 H VAL A 17 -7.089 1.547 6.668 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.775 0.689 4.598 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.364 2.420 4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.735 1.920 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.559 0.499 3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.953 0.623 2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.443 3.641 3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.757 2.441 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.519 3.481 4.456 1.00 0.00 H new ATOM 244 N ASN A 18 -3.807 -0.339 5.515 1.00 0.00 N ATOM 245 CA ASN A 18 -2.984 -1.523 5.691 1.00 0.00 C ATOM 246 C ASN A 18 -2.100 -1.346 6.928 1.00 0.00 C ATOM 247 O ASN A 18 -1.000 -0.805 6.835 1.00 0.00 O ATOM 248 CB ASN A 18 -2.071 -1.744 4.484 1.00 0.00 C ATOM 249 CG ASN A 18 -2.257 -3.147 3.904 1.00 0.00 C ATOM 250 OD1 ASN A 18 -2.424 -4.124 4.616 1.00 0.00 O ATOM 251 ND2 ASN A 18 -2.219 -3.194 2.576 1.00 0.00 N ATOM 0 H ASN A 18 -3.303 0.545 5.586 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.647 -2.381 5.802 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.288 -0.999 3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.031 -1.604 4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.333 -4.086 2.094 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.076 -2.339 2.039 1.00 0.00 H new ATOM 257 N ARG A 19 -2.615 -1.813 8.055 1.00 0.00 N ATOM 258 CA ARG A 19 -1.885 -1.713 9.309 1.00 0.00 C ATOM 259 C ARG A 19 -0.978 -2.931 9.494 1.00 0.00 C ATOM 260 O ARG A 19 0.216 -2.787 9.747 1.00 0.00 O ATOM 261 CB ARG A 19 -2.844 -1.613 10.496 1.00 0.00 C ATOM 262 CG ARG A 19 -2.199 -0.854 11.658 1.00 0.00 C ATOM 263 CD ARG A 19 -2.972 0.430 11.971 1.00 0.00 C ATOM 264 NE ARG A 19 -4.139 0.121 12.827 1.00 0.00 N ATOM 265 CZ ARG A 19 -4.089 0.038 14.164 1.00 0.00 C ATOM 266 NH1 ARG A 19 -2.929 0.239 14.804 1.00 0.00 N ATOM 267 NH2 ARG A 19 -5.198 -0.247 14.859 1.00 0.00 N ATOM 0 H ARG A 19 -3.528 -2.262 8.127 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.278 -0.808 9.269 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.758 -1.106 10.188 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.129 -2.613 10.823 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.171 -1.491 12.542 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.166 -0.610 11.409 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.320 1.144 12.475 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.304 0.900 11.045 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.037 -0.039 12.371 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.085 0.455 14.274 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.890 0.176 15.821 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.080 -0.401 14.371 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.160 -0.310 15.876 1.00 0.00 H new ATOM 278 N GLY A 20 -1.582 -4.104 9.360 1.00 0.00 N ATOM 279 CA GLY A 20 -0.845 -5.346 9.509 1.00 0.00 C ATOM 280 C GLY A 20 0.560 -5.225 8.914 1.00 0.00 C ATOM 281 O GLY A 20 1.553 -5.440 9.607 1.00 0.00 O ATOM 0 H GLY A 20 -2.573 -4.219 9.150 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.775 -5.607 10.565 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.384 -6.155 9.016 1.00 0.00 H new ATOM 285 N GLU A 21 0.597 -4.883 7.634 1.00 0.00 N ATOM 286 CA GLU A 21 1.863 -4.731 6.937 1.00 0.00 C ATOM 287 C GLU A 21 2.806 -3.832 7.739 1.00 0.00 C ATOM 288 O GLU A 21 3.972 -4.170 7.939 1.00 0.00 O ATOM 289 CB GLU A 21 1.649 -4.181 5.525 1.00 0.00 C ATOM 290 CG GLU A 21 0.694 -5.072 4.729 1.00 0.00 C ATOM 291 CD GLU A 21 1.000 -5.003 3.232 1.00 0.00 C ATOM 292 OE1 GLU A 21 2.093 -4.569 2.841 1.00 0.00 O ATOM 293 OE2 GLU A 21 0.052 -5.420 2.462 1.00 0.00 O ATOM 0 H GLU A 21 -0.229 -4.707 7.062 1.00 0.00 H new ATOM 0 HA GLU A 21 2.324 -5.714 6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.246 -3.170 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.606 -4.114 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.779 -6.102 5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.335 -4.760 4.908 1.00 0.00 H new ATOM 299 N ALA A 22 2.267 -2.703 8.177 1.00 0.00 N ATOM 300 CA ALA A 22 3.046 -1.752 8.951 1.00 0.00 C ATOM 301 C ALA A 22 3.593 -2.447 10.200 1.00 0.00 C ATOM 302 O ALA A 22 4.792 -2.390 10.470 1.00 0.00 O ATOM 303 CB ALA A 22 2.177 -0.540 9.293 1.00 0.00 C ATOM 0 H ALA A 22 1.300 -2.426 8.010 1.00 0.00 H new ATOM 0 HA ALA A 22 3.897 -1.391 8.373 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.761 0.174 9.874 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.835 -0.066 8.373 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.315 -0.863 9.876 1.00 0.00 H new ATOM 309 N THR A 23 2.690 -3.086 10.928 1.00 0.00 N ATOM 310 CA THR A 23 3.068 -3.790 12.141 1.00 0.00 C ATOM 311 C THR A 23 4.173 -4.806 11.845 1.00 0.00 C ATOM 312 O THR A 23 5.307 -4.646 12.295 1.00 0.00 O ATOM 313 CB THR A 23 1.807 -4.420 12.735 1.00 0.00 C ATOM 314 OG1 THR A 23 1.253 -3.388 13.547 1.00 0.00 O ATOM 315 CG2 THR A 23 2.124 -5.543 13.724 1.00 0.00 C ATOM 0 H THR A 23 1.697 -3.131 10.701 1.00 0.00 H new ATOM 0 HA THR A 23 3.487 -3.107 12.880 1.00 0.00 H new ATOM 0 HB THR A 23 1.183 -4.810 11.931 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.430 -3.711 13.970 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.194 -5.956 14.116 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.684 -6.328 13.216 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.720 -5.146 14.546 1.00 0.00 H new ATOM 323 N GLN A 24 3.804 -5.831 11.090 1.00 0.00 N ATOM 324 CA GLN A 24 4.750 -6.873 10.729 1.00 0.00 C ATOM 325 C GLN A 24 6.053 -6.254 10.220 1.00 0.00 C ATOM 326 O GLN A 24 7.140 -6.712 10.569 1.00 0.00 O ATOM 327 CB GLN A 24 4.149 -7.822 9.689 1.00 0.00 C ATOM 328 CG GLN A 24 3.923 -7.103 8.358 1.00 0.00 C ATOM 329 CD GLN A 24 3.243 -8.026 7.345 1.00 0.00 C ATOM 330 OE1 GLN A 24 2.055 -8.298 7.412 1.00 0.00 O ATOM 331 NE2 GLN A 24 4.059 -8.491 6.404 1.00 0.00 N ATOM 0 H GLN A 24 2.863 -5.962 10.719 1.00 0.00 H new ATOM 0 HA GLN A 24 4.974 -7.459 11.620 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.815 -8.672 9.539 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.203 -8.219 10.057 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.308 -6.218 8.519 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.878 -6.760 7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.043 -8.224 6.405 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.701 -9.115 5.681 1.00 0.00 H new ATOM 338 N SER A 25 5.901 -5.225 9.400 1.00 0.00 N ATOM 339 CA SER A 25 7.052 -4.538 8.839 1.00 0.00 C ATOM 340 C SER A 25 8.039 -4.176 9.951 1.00 0.00 C ATOM 341 O SER A 25 7.640 -3.674 11.000 1.00 0.00 O ATOM 342 CB SER A 25 6.626 -3.281 8.077 1.00 0.00 C ATOM 343 OG SER A 25 6.376 -3.551 6.701 1.00 0.00 O ATOM 0 H SER A 25 4.998 -4.850 9.110 1.00 0.00 H new ATOM 0 HA SER A 25 7.540 -5.210 8.133 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.728 -2.867 8.534 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.405 -2.524 8.162 1.00 0.00 H new ATOM 0 HG SER A 25 5.456 -3.869 6.592 1.00 0.00 H new ATOM 348 N ILE A 26 9.308 -4.446 9.682 1.00 0.00 N ATOM 349 CA ILE A 26 10.354 -4.155 10.648 1.00 0.00 C ATOM 350 C ILE A 26 10.530 -2.640 10.761 1.00 0.00 C ATOM 351 O ILE A 26 10.628 -2.103 11.864 1.00 0.00 O ATOM 352 CB ILE A 26 11.641 -4.899 10.283 1.00 0.00 C ATOM 353 CG1 ILE A 26 11.462 -6.411 10.434 1.00 0.00 C ATOM 354 CG2 ILE A 26 12.826 -4.377 11.099 1.00 0.00 C ATOM 355 CD1 ILE A 26 12.488 -7.170 9.589 1.00 0.00 C ATOM 0 H ILE A 26 9.635 -4.863 8.810 1.00 0.00 H new ATOM 0 HA ILE A 26 10.073 -4.518 11.637 1.00 0.00 H new ATOM 0 HB ILE A 26 11.862 -4.705 9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.570 -6.691 11.482 1.00 0.00 H new ATOM 0 HG13 ILE A 26 10.454 -6.694 10.130 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.728 -4.922 10.821 1.00 0.00 H new ATOM 0 HG22 ILE A 26 12.967 -3.315 10.897 1.00 0.00 H new ATOM 0 HG23 ILE A 26 12.628 -4.521 12.161 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.340 -8.243 9.714 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.362 -6.906 8.539 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.494 -6.903 9.912 1.00 0.00 H new ATOM 366 N ILE A 27 10.567 -1.992 9.606 1.00 0.00 N ATOM 367 CA ILE A 27 10.729 -0.549 9.561 1.00 0.00 C ATOM 368 C ILE A 27 9.528 0.117 10.235 1.00 0.00 C ATOM 369 O ILE A 27 9.672 1.145 10.895 1.00 0.00 O ATOM 370 CB ILE A 27 10.966 -0.081 8.124 1.00 0.00 C ATOM 371 CG1 ILE A 27 12.375 -0.448 7.652 1.00 0.00 C ATOM 372 CG2 ILE A 27 10.687 1.418 7.983 1.00 0.00 C ATOM 373 CD1 ILE A 27 12.371 -1.782 6.903 1.00 0.00 C ATOM 0 H ILE A 27 10.487 -2.440 8.693 1.00 0.00 H new ATOM 0 HA ILE A 27 11.615 -0.248 10.120 1.00 0.00 H new ATOM 0 HB ILE A 27 10.263 -0.603 7.475 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.761 0.337 7.002 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.045 -0.510 8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.863 1.725 6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.650 1.622 8.251 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.349 1.975 8.646 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.384 -2.020 6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.007 -2.569 7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.719 -1.709 6.033 1.00 0.00 H new ATOM 384 N GLY A 28 8.369 -0.496 10.045 1.00 0.00 N ATOM 385 CA GLY A 28 7.143 0.024 10.626 1.00 0.00 C ATOM 386 C GLY A 28 7.065 1.543 10.471 1.00 0.00 C ATOM 387 O GLY A 28 7.529 2.284 11.337 1.00 0.00 O ATOM 0 H GLY A 28 8.253 -1.348 9.497 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.282 -0.439 10.143 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.096 -0.240 11.682 1.00 0.00 H new ATOM 391 N GLY A 29 6.475 1.964 9.362 1.00 0.00 N ATOM 392 CA GLY A 29 6.330 3.382 9.083 1.00 0.00 C ATOM 393 C GLY A 29 5.250 4.007 9.967 1.00 0.00 C ATOM 394 O GLY A 29 5.509 4.980 10.675 1.00 0.00 O ATOM 0 H GLY A 29 6.092 1.347 8.646 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.281 3.888 9.251 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.074 3.525 8.033 1.00 0.00 H new ATOM 398 N MET A 30 4.062 3.424 9.899 1.00 0.00 N ATOM 399 CA MET A 30 2.942 3.912 10.686 1.00 0.00 C ATOM 400 C MET A 30 3.289 3.941 12.176 1.00 0.00 C ATOM 401 O MET A 30 3.114 4.962 12.837 1.00 0.00 O ATOM 402 CB MET A 30 1.728 3.010 10.460 1.00 0.00 C ATOM 403 CG MET A 30 0.934 3.454 9.231 1.00 0.00 C ATOM 404 SD MET A 30 -0.815 3.263 9.531 1.00 0.00 S ATOM 405 CE MET A 30 -1.466 4.368 8.290 1.00 0.00 C ATOM 0 H MET A 30 3.851 2.618 9.311 1.00 0.00 H new ATOM 0 HA MET A 30 2.714 4.929 10.367 1.00 0.00 H new ATOM 0 HB2 MET A 30 2.056 1.979 10.332 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.085 3.033 11.340 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.160 4.495 8.999 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.229 2.863 8.364 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.550 4.263 8.242 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.212 5.396 8.549 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.034 4.121 7.320 1.00 0.00 H new ATOM 413 N ILE A 31 3.776 2.806 12.658 1.00 0.00 N ATOM 414 CA ILE A 31 4.149 2.689 14.058 1.00 0.00 C ATOM 415 C ILE A 31 5.140 3.798 14.412 1.00 0.00 C ATOM 416 O ILE A 31 4.917 4.558 15.354 1.00 0.00 O ATOM 417 CB ILE A 31 4.669 1.281 14.356 1.00 0.00 C ATOM 418 CG1 ILE A 31 5.040 1.136 15.833 1.00 0.00 C ATOM 419 CG2 ILE A 31 5.834 0.920 13.434 1.00 0.00 C ATOM 420 CD1 ILE A 31 5.609 -0.255 16.121 1.00 0.00 C ATOM 0 H ILE A 31 3.921 1.961 12.105 1.00 0.00 H new ATOM 0 HA ILE A 31 3.277 2.825 14.698 1.00 0.00 H new ATOM 0 HB ILE A 31 3.868 0.571 14.154 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.773 1.896 16.104 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.159 1.308 16.452 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.184 -0.085 13.667 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.502 0.957 12.396 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.647 1.631 13.580 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.865 -0.332 17.178 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.865 -1.011 15.872 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.504 -0.414 15.519 1.00 0.00 H new ATOM 431 N SER A 32 6.214 3.857 13.639 1.00 0.00 N ATOM 432 CA SER A 32 7.240 4.862 13.860 1.00 0.00 C ATOM 433 C SER A 32 6.593 6.228 14.101 1.00 0.00 C ATOM 434 O SER A 32 7.090 7.022 14.897 1.00 0.00 O ATOM 435 CB SER A 32 8.205 4.934 12.674 1.00 0.00 C ATOM 436 OG SER A 32 9.262 5.862 12.902 1.00 0.00 O ATOM 0 H SER A 32 6.396 3.225 12.859 1.00 0.00 H new ATOM 0 HA SER A 32 7.812 4.577 14.743 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.624 3.945 12.487 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.657 5.222 11.777 1.00 0.00 H new ATOM 0 HG SER A 32 9.857 5.878 12.123 1.00 0.00 H new ATOM 441 N GLY A 33 5.495 6.458 13.396 1.00 0.00 N ATOM 442 CA GLY A 33 4.774 7.714 13.524 1.00 0.00 C ATOM 443 C GLY A 33 3.963 7.751 14.821 1.00 0.00 C ATOM 444 O GLY A 33 3.847 8.800 15.455 1.00 0.00 O ATOM 0 H GLY A 33 5.087 5.797 12.735 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.479 8.545 13.508 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.108 7.844 12.671 1.00 0.00 H new ATOM 448 N TRP A 34 3.423 6.596 15.178 1.00 0.00 N ATOM 449 CA TRP A 34 2.627 6.483 16.388 1.00 0.00 C ATOM 450 C TRP A 34 3.525 6.827 17.578 1.00 0.00 C ATOM 451 O TRP A 34 3.233 7.753 18.334 1.00 0.00 O ATOM 452 CB TRP A 34 1.991 5.096 16.499 1.00 0.00 C ATOM 453 CG TRP A 34 0.856 5.012 17.522 1.00 0.00 C ATOM 454 CD1 TRP A 34 -0.179 5.849 17.677 1.00 0.00 C ATOM 455 CD2 TRP A 34 0.682 3.995 18.530 1.00 0.00 C ATOM 456 NE1 TRP A 34 -1.003 5.449 18.708 1.00 0.00 N ATOM 457 CE2 TRP A 34 -0.464 4.285 19.244 1.00 0.00 C ATOM 458 CE3 TRP A 34 1.465 2.868 18.831 1.00 0.00 C ATOM 459 CZ2 TRP A 34 -0.928 3.496 20.303 1.00 0.00 C ATOM 460 CZ3 TRP A 34 0.988 2.089 19.892 1.00 0.00 C ATOM 461 CH2 TRP A 34 -0.163 2.367 20.620 1.00 0.00 C ATOM 0 H TRP A 34 3.521 5.729 14.650 1.00 0.00 H new ATOM 0 HA TRP A 34 1.792 7.184 16.368 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.608 4.804 15.521 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.762 4.374 16.767 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -0.347 6.727 17.071 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -1.852 5.921 19.020 1.00 0.00 H new ATOM 0 HE3 TRP A 34 2.365 2.622 18.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -1.828 3.745 20.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.554 1.210 20.164 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.466 1.715 21.426 1.00 0.00 H new ATOM 471 N ALA A 35 4.599 6.061 17.709 1.00 0.00 N ATOM 472 CA ALA A 35 5.541 6.272 18.795 1.00 0.00 C ATOM 473 C ALA A 35 6.116 7.686 18.696 1.00 0.00 C ATOM 474 O ALA A 35 6.279 8.366 19.708 1.00 0.00 O ATOM 475 CB ALA A 35 6.627 5.196 18.745 1.00 0.00 C ATOM 0 H ALA A 35 4.837 5.294 17.081 1.00 0.00 H new ATOM 0 HA ALA A 35 5.041 6.186 19.760 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.334 5.354 19.560 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.169 4.212 18.848 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.153 5.254 17.792 1.00 0.00 H new ATOM 481 N SER A 36 6.411 8.087 17.468 1.00 0.00 N ATOM 482 CA SER A 36 6.965 9.407 17.224 1.00 0.00 C ATOM 483 C SER A 36 5.971 10.483 17.666 1.00 0.00 C ATOM 484 O SER A 36 6.370 11.546 18.140 1.00 0.00 O ATOM 485 CB SER A 36 7.324 9.591 15.748 1.00 0.00 C ATOM 486 OG SER A 36 7.753 10.919 15.464 1.00 0.00 O ATOM 0 H SER A 36 6.276 7.520 16.631 1.00 0.00 H new ATOM 0 HA SER A 36 7.880 9.505 17.808 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.113 8.890 15.477 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.458 9.350 15.132 1.00 0.00 H new ATOM 0 HG SER A 36 7.974 10.995 14.512 1.00 0.00 H new ATOM 491 N GLY A 37 4.695 10.169 17.496 1.00 0.00 N ATOM 492 CA GLY A 37 3.640 11.095 17.871 1.00 0.00 C ATOM 493 C GLY A 37 3.543 11.228 19.393 1.00 0.00 C ATOM 494 O GLY A 37 3.627 12.331 19.929 1.00 0.00 O ATOM 0 H GLY A 37 4.368 9.286 17.104 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.834 12.072 17.429 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.687 10.748 17.471 1.00 0.00 H new ATOM 498 N LEU A 38 3.366 10.088 20.045 1.00 0.00 N ATOM 499 CA LEU A 38 3.257 10.063 21.493 1.00 0.00 C ATOM 500 C LEU A 38 4.589 10.498 22.108 1.00 0.00 C ATOM 501 O LEU A 38 4.623 11.379 22.965 1.00 0.00 O ATOM 502 CB LEU A 38 2.777 8.692 21.971 1.00 0.00 C ATOM 503 CG LEU A 38 3.624 7.495 21.534 1.00 0.00 C ATOM 504 CD1 LEU A 38 4.689 7.166 22.583 1.00 0.00 C ATOM 505 CD2 LEU A 38 2.743 6.287 21.214 1.00 0.00 C ATOM 0 H LEU A 38 3.295 9.175 19.596 1.00 0.00 H new ATOM 0 HA LEU A 38 2.503 10.774 21.830 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.734 8.703 23.060 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.758 8.541 21.614 1.00 0.00 H new ATOM 0 HG LEU A 38 4.147 7.763 20.616 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.277 6.312 22.249 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.344 8.027 22.719 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.205 6.925 23.530 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.370 5.451 20.906 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.174 6.007 22.100 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.056 6.541 20.407 1.00 0.00 H new ATOM 516 N ALA A 39 5.653 9.857 21.647 1.00 0.00 N ATOM 517 CA ALA A 39 6.985 10.167 22.141 1.00 0.00 C ATOM 518 C ALA A 39 7.373 11.579 21.699 1.00 0.00 C ATOM 519 O ALA A 39 8.139 12.258 22.381 1.00 0.00 O ATOM 520 CB ALA A 39 7.972 9.109 21.645 1.00 0.00 C ATOM 0 H ALA A 39 5.620 9.125 20.937 1.00 0.00 H new ATOM 0 HA ALA A 39 7.005 10.146 23.231 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.971 9.341 22.015 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.668 8.128 22.011 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.981 9.103 20.555 1.00 0.00 H new ATOM 526 N GLY A 40 6.826 11.980 20.560 1.00 0.00 N ATOM 527 CA GLY A 40 7.106 13.299 20.019 1.00 0.00 C ATOM 528 C GLY A 40 7.168 14.346 21.133 1.00 0.00 C ATOM 529 O GLY A 40 8.009 15.244 21.100 1.00 0.00 O ATOM 0 H GLY A 40 6.190 11.414 19.997 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.052 13.281 19.479 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.334 13.573 19.300 1.00 0.00 H new ATOM 533 N MET A 41 6.267 14.197 22.093 1.00 0.00 N ATOM 534 CA MET A 41 6.208 15.119 23.214 1.00 0.00 C ATOM 535 C MET A 41 6.193 16.570 22.731 1.00 0.00 C ATOM 536 O MET A 41 5.877 17.480 23.497 1.00 0.00 O ATOM 537 CB MET A 41 7.420 14.896 24.122 1.00 0.00 C ATOM 538 CG MET A 41 6.983 14.632 25.565 1.00 0.00 C ATOM 539 SD MET A 41 8.417 14.432 26.609 1.00 0.00 S ATOM 540 CE MET A 41 8.662 12.669 26.465 1.00 0.00 C ATOM 0 H MET A 41 5.572 13.451 22.117 1.00 0.00 H new ATOM 0 HA MET A 41 5.288 14.931 23.767 1.00 0.00 H new ATOM 0 HB2 MET A 41 8.004 14.052 23.755 1.00 0.00 H new ATOM 0 HB3 MET A 41 8.069 15.771 24.089 1.00 0.00 H new ATOM 0 HG2 MET A 41 6.372 15.460 25.926 1.00 0.00 H new ATOM 0 HG3 MET A 41 6.363 13.736 25.608 1.00 0.00 H new ATOM 0 HE1 MET A 41 9.525 12.372 27.060 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.775 12.148 26.826 1.00 0.00 H new ATOM 0 HE3 MET A 41 8.835 12.410 25.421 1.00 0.00 H new TER 548 MET A 41