USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 248 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN : amide:sc= -0.416 K(o=-0.42,f=-1.8) USER MOD Set 1.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 11 ASN : amide:sc= -4.47! C(o=-14!,f=-23!) USER MOD Set 2.2: A 12 ASN : amide:sc= -8.66! C(o=-14!,f=-26!) USER MOD Set 2.3: A 14 LYS NZ :NH3+ -113:sc= -0.549 (180deg=-1.13) USER MOD Set 3.1: A 6 ASN : amide:sc= 0.106 K(o=0.28,f=-1.9) USER MOD Set 3.2: A 9 TYR OH : rot -27:sc= 0.178 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -76:sc= 0.31 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.741 K(o=-0.74,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 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.765 4.342 2.025 1.00 0.00 N ATOM 2 CA ALA A 1 -20.553 3.512 3.200 1.00 0.00 C ATOM 3 C ALA A 1 -19.154 3.778 3.759 1.00 0.00 C ATOM 4 O ALA A 1 -18.215 3.038 3.467 1.00 0.00 O ATOM 5 CB ALA A 1 -20.765 2.043 2.832 1.00 0.00 C ATOM 0 H1 ALA A 1 -21.715 4.164 1.641 1.00 0.00 H new ATOM 0 H2 ALA A 1 -20.680 5.345 2.288 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.052 4.111 1.304 1.00 0.00 H new ATOM 0 HA ALA A 1 -21.273 3.759 3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -20.606 1.421 3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -21.782 1.902 2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -20.058 1.757 2.053 1.00 0.00 H new ATOM 11 N ARG A 2 -19.059 4.834 4.552 1.00 0.00 N ATOM 12 CA ARG A 2 -17.790 5.206 5.154 1.00 0.00 C ATOM 13 C ARG A 2 -17.097 3.972 5.736 1.00 0.00 C ATOM 14 O ARG A 2 -17.755 3.078 6.266 1.00 0.00 O ATOM 15 CB ARG A 2 -17.989 6.241 6.265 1.00 0.00 C ATOM 16 CG ARG A 2 -17.024 7.417 6.097 1.00 0.00 C ATOM 17 CD ARG A 2 -17.745 8.642 5.533 1.00 0.00 C ATOM 18 NE ARG A 2 -18.011 9.616 6.615 1.00 0.00 N ATOM 19 CZ ARG A 2 -18.850 10.654 6.503 1.00 0.00 C ATOM 20 NH1 ARG A 2 -19.512 10.859 5.355 1.00 0.00 N ATOM 21 NH2 ARG A 2 -19.028 11.487 7.537 1.00 0.00 N ATOM 0 H ARG A 2 -19.840 5.444 4.792 1.00 0.00 H new ATOM 0 HA ARG A 2 -17.168 5.643 4.373 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -19.017 6.604 6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -17.831 5.772 7.236 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -16.577 7.665 7.059 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -16.210 7.131 5.431 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -17.137 9.106 4.756 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -18.682 8.340 5.066 1.00 0.00 H new ATOM 0 HE ARG A 2 -17.524 9.489 7.502 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -19.376 10.225 4.568 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -20.151 11.649 5.269 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -18.524 11.331 8.410 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -19.667 12.277 7.451 1.00 0.00 H new ATOM 32 N SER A 3 -15.777 3.963 5.617 1.00 0.00 N ATOM 33 CA SER A 3 -14.988 2.854 6.124 1.00 0.00 C ATOM 34 C SER A 3 -13.496 3.175 6.004 1.00 0.00 C ATOM 35 O SER A 3 -12.728 2.928 6.932 1.00 0.00 O ATOM 36 CB SER A 3 -15.314 1.559 5.378 1.00 0.00 C ATOM 37 OG SER A 3 -15.459 1.772 3.977 1.00 0.00 O ATOM 0 H SER A 3 -15.235 4.706 5.177 1.00 0.00 H new ATOM 0 HA SER A 3 -15.239 2.709 7.175 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.523 0.830 5.554 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.234 1.133 5.777 1.00 0.00 H new ATOM 0 HG SER A 3 -16.328 2.189 3.798 1.00 0.00 H new ATOM 42 N TYR A 4 -13.132 3.719 4.852 1.00 0.00 N ATOM 43 CA TYR A 4 -11.746 4.076 4.599 1.00 0.00 C ATOM 44 C TYR A 4 -10.810 2.917 4.945 1.00 0.00 C ATOM 45 O TYR A 4 -11.262 1.854 5.367 1.00 0.00 O ATOM 46 CB TYR A 4 -11.440 5.257 5.521 1.00 0.00 C ATOM 47 CG TYR A 4 -12.023 6.588 5.042 1.00 0.00 C ATOM 48 CD1 TYR A 4 -11.328 7.359 4.132 1.00 0.00 C ATOM 49 CD2 TYR A 4 -13.243 7.019 5.520 1.00 0.00 C ATOM 50 CE1 TYR A 4 -11.876 8.612 3.682 1.00 0.00 C ATOM 51 CE2 TYR A 4 -13.792 8.272 5.070 1.00 0.00 C ATOM 52 CZ TYR A 4 -13.081 9.006 4.173 1.00 0.00 C ATOM 53 OH TYR A 4 -13.598 10.190 3.747 1.00 0.00 O ATOM 0 H TYR A 4 -13.772 3.921 4.084 1.00 0.00 H new ATOM 0 HA TYR A 4 -11.598 4.318 3.547 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -11.829 5.039 6.515 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.359 5.359 5.617 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.373 7.022 3.757 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -13.787 6.416 6.232 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.342 9.225 2.971 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -14.746 8.621 5.436 1.00 0.00 H new ATOM 0 HH TYR A 4 -14.464 10.343 4.180 1.00 0.00 H new ATOM 62 N GLY A 5 -9.521 3.161 4.753 1.00 0.00 N ATOM 63 CA GLY A 5 -8.517 2.152 5.040 1.00 0.00 C ATOM 64 C GLY A 5 -8.712 1.567 6.440 1.00 0.00 C ATOM 65 O GLY A 5 -9.078 0.402 6.585 1.00 0.00 O ATOM 0 H GLY A 5 -9.150 4.044 4.402 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.574 1.356 4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.522 2.591 4.961 1.00 0.00 H new ATOM 69 N ASN A 6 -8.457 2.403 7.436 1.00 0.00 N ATOM 70 CA ASN A 6 -8.599 1.984 8.820 1.00 0.00 C ATOM 71 C ASN A 6 -8.262 3.157 9.741 1.00 0.00 C ATOM 72 O ASN A 6 -7.092 3.476 9.943 1.00 0.00 O ATOM 73 CB ASN A 6 -7.644 0.834 9.149 1.00 0.00 C ATOM 74 CG ASN A 6 -8.370 -0.287 9.895 1.00 0.00 C ATOM 75 OD1 ASN A 6 -9.103 -1.075 9.321 1.00 0.00 O ATOM 76 ND2 ASN A 6 -8.126 -0.314 11.202 1.00 0.00 N ATOM 0 H ASN A 6 -8.153 3.369 7.312 1.00 0.00 H new ATOM 0 HA ASN A 6 -9.627 1.652 8.967 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -7.211 0.442 8.229 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.819 1.205 9.757 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.564 -1.025 11.788 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.501 0.376 11.619 1.00 0.00 H new ATOM 82 N GLY A 7 -9.309 3.768 10.276 1.00 0.00 N ATOM 83 CA GLY A 7 -9.138 4.899 11.173 1.00 0.00 C ATOM 84 C GLY A 7 -10.198 5.972 10.909 1.00 0.00 C ATOM 85 O GLY A 7 -9.878 7.156 10.815 1.00 0.00 O ATOM 0 H GLY A 7 -10.279 3.501 10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.206 4.561 12.207 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.143 5.325 11.042 1.00 0.00 H new ATOM 89 N VAL A 8 -11.438 5.518 10.797 1.00 0.00 N ATOM 90 CA VAL A 8 -12.546 6.424 10.546 1.00 0.00 C ATOM 91 C VAL A 8 -13.780 5.937 11.309 1.00 0.00 C ATOM 92 O VAL A 8 -14.047 6.393 12.419 1.00 0.00 O ATOM 93 CB VAL A 8 -12.786 6.553 9.041 1.00 0.00 C ATOM 94 CG1 VAL A 8 -14.224 6.989 8.750 1.00 0.00 C ATOM 95 CG2 VAL A 8 -11.781 7.516 8.405 1.00 0.00 C ATOM 0 H VAL A 8 -11.700 4.535 10.875 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.312 7.424 10.911 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.637 5.571 8.593 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.368 7.073 7.673 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.917 6.250 9.152 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.413 7.955 9.218 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.974 7.589 7.335 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.883 8.501 8.860 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.769 7.145 8.566 1.00 0.00 H new ATOM 105 N TYR A 9 -14.498 5.017 10.682 1.00 0.00 N ATOM 106 CA TYR A 9 -15.697 4.464 11.288 1.00 0.00 C ATOM 107 C TYR A 9 -15.515 4.281 12.796 1.00 0.00 C ATOM 108 O TYR A 9 -16.398 4.628 13.578 1.00 0.00 O ATOM 109 CB TYR A 9 -15.902 3.092 10.641 1.00 0.00 C ATOM 110 CG TYR A 9 -14.647 2.218 10.627 1.00 0.00 C ATOM 111 CD1 TYR A 9 -13.749 2.317 9.584 1.00 0.00 C ATOM 112 CD2 TYR A 9 -14.413 1.329 11.656 1.00 0.00 C ATOM 113 CE1 TYR A 9 -12.567 1.494 9.570 1.00 0.00 C ATOM 114 CE2 TYR A 9 -13.232 0.505 11.643 1.00 0.00 C ATOM 115 CZ TYR A 9 -12.367 0.628 10.600 1.00 0.00 C ATOM 116 OH TYR A 9 -11.251 -0.149 10.587 1.00 0.00 O ATOM 0 H TYR A 9 -14.273 4.641 9.761 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.546 5.130 11.135 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -16.694 2.565 11.174 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -16.246 3.232 9.616 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -13.933 3.012 8.778 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.116 1.251 12.472 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -11.856 1.563 8.760 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -13.037 -0.194 12.443 1.00 0.00 H new ATOM 0 HH TYR A 9 -10.967 -0.297 9.661 1.00 0.00 H new ATOM 125 N CYS A 10 -14.364 3.735 13.159 1.00 0.00 N ATOM 126 CA CYS A 10 -14.054 3.502 14.559 1.00 0.00 C ATOM 127 C CYS A 10 -15.029 2.452 15.099 1.00 0.00 C ATOM 128 O CYS A 10 -16.012 2.116 14.439 1.00 0.00 O ATOM 129 CB CYS A 10 -14.103 4.796 15.373 1.00 0.00 C ATOM 130 SG CYS A 10 -12.509 5.688 15.493 1.00 0.00 S ATOM 0 H CYS A 10 -13.634 3.447 12.507 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.033 3.131 14.650 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.843 5.461 14.928 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.449 4.563 16.380 1.00 0.00 H new ATOM 134 N ASN A 11 -14.723 1.965 16.291 1.00 0.00 N ATOM 135 CA ASN A 11 -15.559 0.960 16.927 1.00 0.00 C ATOM 136 C ASN A 11 -16.835 1.623 17.451 1.00 0.00 C ATOM 137 O ASN A 11 -17.934 1.105 17.254 1.00 0.00 O ATOM 138 CB ASN A 11 -14.840 0.315 18.112 1.00 0.00 C ATOM 139 CG ASN A 11 -14.259 1.378 19.047 1.00 0.00 C ATOM 140 OD1 ASN A 11 -13.749 2.401 18.623 1.00 0.00 O ATOM 141 ND2 ASN A 11 -14.365 1.079 20.338 1.00 0.00 N ATOM 0 H ASN A 11 -13.907 2.247 16.835 1.00 0.00 H new ATOM 0 HA ASN A 11 -15.790 0.194 16.186 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -15.536 -0.318 18.663 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -14.041 -0.331 17.749 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -14.007 1.725 21.042 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -14.804 0.204 20.624 1.00 0.00 H new ATOM 147 N ASN A 12 -16.647 2.758 18.108 1.00 0.00 N ATOM 148 CA ASN A 12 -17.769 3.496 18.662 1.00 0.00 C ATOM 149 C ASN A 12 -17.338 4.937 18.941 1.00 0.00 C ATOM 150 O ASN A 12 -17.521 5.817 18.102 1.00 0.00 O ATOM 151 CB ASN A 12 -18.237 2.879 19.982 1.00 0.00 C ATOM 152 CG ASN A 12 -17.178 1.931 20.550 1.00 0.00 C ATOM 153 OD1 ASN A 12 -16.828 0.923 19.957 1.00 0.00 O ATOM 154 ND2 ASN A 12 -16.691 2.309 21.728 1.00 0.00 N ATOM 0 H ASN A 12 -15.735 3.184 18.269 1.00 0.00 H new ATOM 0 HA ASN A 12 -18.584 3.462 17.939 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -18.447 3.669 20.703 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -19.169 2.336 19.824 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.980 1.743 22.191 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -17.029 3.165 22.169 1.00 0.00 H new ATOM 160 N LYS A 13 -16.773 5.134 20.124 1.00 0.00 N ATOM 161 CA LYS A 13 -16.314 6.453 20.524 1.00 0.00 C ATOM 162 C LYS A 13 -14.828 6.594 20.191 1.00 0.00 C ATOM 163 O LYS A 13 -14.414 7.583 19.587 1.00 0.00 O ATOM 164 CB LYS A 13 -16.641 6.710 21.997 1.00 0.00 C ATOM 165 CG LYS A 13 -18.086 6.318 22.314 1.00 0.00 C ATOM 166 CD LYS A 13 -18.152 5.436 23.562 1.00 0.00 C ATOM 167 CE LYS A 13 -17.657 6.193 24.796 1.00 0.00 C ATOM 168 NZ LYS A 13 -18.311 5.675 26.018 1.00 0.00 N ATOM 0 H LYS A 13 -16.623 4.402 20.818 1.00 0.00 H new ATOM 0 HA LYS A 13 -16.841 7.226 19.964 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.959 6.141 22.629 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.487 7.764 22.229 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.685 7.216 22.466 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.517 5.787 21.465 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -19.177 5.103 23.722 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.546 4.542 23.412 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.575 6.090 24.884 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.868 7.257 24.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.964 6.199 26.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.341 5.796 25.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.088 4.665 26.129 1.00 0.00 H new ATOM 178 N LYS A 14 -14.064 5.591 20.600 1.00 0.00 N ATOM 179 CA LYS A 14 -12.632 5.591 20.351 1.00 0.00 C ATOM 180 C LYS A 14 -12.345 4.843 19.049 1.00 0.00 C ATOM 181 O LYS A 14 -13.135 4.904 18.107 1.00 0.00 O ATOM 182 CB LYS A 14 -11.879 5.031 21.561 1.00 0.00 C ATOM 183 CG LYS A 14 -12.353 5.694 22.856 1.00 0.00 C ATOM 184 CD LYS A 14 -12.472 4.668 23.986 1.00 0.00 C ATOM 185 CE LYS A 14 -13.358 3.493 23.567 1.00 0.00 C ATOM 186 NZ LYS A 14 -12.540 2.281 23.342 1.00 0.00 N ATOM 0 H LYS A 14 -14.410 4.773 21.102 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.268 6.610 20.220 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.032 3.954 21.623 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.809 5.194 21.435 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.653 6.478 23.144 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.318 6.173 22.691 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.481 4.303 24.257 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.889 5.145 24.873 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.103 3.298 24.339 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.901 3.746 22.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.560 2.031 22.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.559 2.465 23.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.925 1.494 23.902 1.00 0.00 H new ATOM 196 N CYS A 15 -11.213 4.156 19.035 1.00 0.00 N ATOM 197 CA CYS A 15 -10.811 3.398 17.862 1.00 0.00 C ATOM 198 C CYS A 15 -9.954 2.218 18.324 1.00 0.00 C ATOM 199 O CYS A 15 -10.463 1.115 18.521 1.00 0.00 O ATOM 200 CB CYS A 15 -10.076 4.274 16.846 1.00 0.00 C ATOM 201 SG CYS A 15 -10.964 4.528 15.266 1.00 0.00 S ATOM 0 H CYS A 15 -10.561 4.108 19.818 1.00 0.00 H new ATOM 0 HA CYS A 15 -11.696 3.024 17.347 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.883 5.247 17.298 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.107 3.824 16.633 1.00 0.00 H new ATOM 205 N TRP A 16 -8.667 2.489 18.484 1.00 0.00 N ATOM 206 CA TRP A 16 -7.735 1.463 18.918 1.00 0.00 C ATOM 207 C TRP A 16 -6.355 2.109 19.064 1.00 0.00 C ATOM 208 O TRP A 16 -6.234 3.332 19.045 1.00 0.00 O ATOM 209 CB TRP A 16 -7.738 0.274 17.955 1.00 0.00 C ATOM 210 CG TRP A 16 -8.439 0.554 16.624 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.009 1.315 15.608 1.00 0.00 C ATOM 212 CD2 TRP A 16 -9.722 0.042 16.204 1.00 0.00 C ATOM 213 NE1 TRP A 16 -8.915 1.330 14.568 1.00 0.00 N ATOM 214 CE2 TRP A 16 -9.990 0.532 14.942 1.00 0.00 C ATOM 215 CE3 TRP A 16 -10.625 -0.806 16.866 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -11.159 0.230 14.234 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -11.790 -1.099 16.146 1.00 0.00 C ATOM 218 CH2 TRP A 16 -12.074 -0.614 14.876 1.00 0.00 C ATOM 0 H TRP A 16 -8.248 3.405 18.321 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.034 1.056 19.884 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -6.708 -0.022 17.756 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -8.225 -0.572 18.440 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.071 1.850 15.604 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.815 1.834 13.687 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -10.436 -1.201 17.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -11.345 0.626 13.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -12.518 -1.747 16.611 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -12.997 -0.887 14.385 1.00 0.00 H new ATOM 228 N VAL A 17 -5.350 1.257 19.206 1.00 0.00 N ATOM 229 CA VAL A 17 -3.985 1.729 19.356 1.00 0.00 C ATOM 230 C VAL A 17 -3.050 0.842 18.531 1.00 0.00 C ATOM 231 O VAL A 17 -2.310 1.336 17.680 1.00 0.00 O ATOM 232 CB VAL A 17 -3.607 1.780 20.839 1.00 0.00 C ATOM 233 CG1 VAL A 17 -2.094 1.646 21.024 1.00 0.00 C ATOM 234 CG2 VAL A 17 -4.129 3.060 21.494 1.00 0.00 C ATOM 0 H VAL A 17 -5.455 0.242 19.220 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.889 2.746 18.976 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.081 0.933 21.335 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.852 1.685 22.086 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.760 0.694 20.611 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.590 2.463 20.507 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.847 3.071 22.547 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.698 3.927 20.994 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.215 3.095 21.409 1.00 0.00 H new ATOM 244 N ASN A 18 -3.113 -0.451 18.812 1.00 0.00 N ATOM 245 CA ASN A 18 -2.281 -1.411 18.106 1.00 0.00 C ATOM 246 C ASN A 18 -2.885 -2.809 18.254 1.00 0.00 C ATOM 247 O ASN A 18 -3.025 -3.314 19.368 1.00 0.00 O ATOM 248 CB ASN A 18 -0.864 -1.444 18.686 1.00 0.00 C ATOM 249 CG ASN A 18 0.181 -1.228 17.590 1.00 0.00 C ATOM 250 OD1 ASN A 18 -0.005 -1.587 16.439 1.00 0.00 O ATOM 251 ND2 ASN A 18 1.289 -0.624 18.011 1.00 0.00 N ATOM 0 H ASN A 18 -3.727 -0.856 19.518 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.235 -1.112 17.059 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.761 -0.672 19.449 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.690 -2.402 19.176 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.048 -0.435 17.356 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.380 -0.349 18.989 1.00 0.00 H new ATOM 257 N ARG A 19 -3.227 -3.395 17.117 1.00 0.00 N ATOM 258 CA ARG A 19 -3.812 -4.724 17.106 1.00 0.00 C ATOM 259 C ARG A 19 -2.739 -5.776 16.816 1.00 0.00 C ATOM 260 O ARG A 19 -2.550 -6.706 17.597 1.00 0.00 O ATOM 261 CB ARG A 19 -4.918 -4.830 16.053 1.00 0.00 C ATOM 262 CG ARG A 19 -5.907 -5.942 16.408 1.00 0.00 C ATOM 263 CD ARG A 19 -7.280 -5.672 15.789 1.00 0.00 C ATOM 264 NE ARG A 19 -7.938 -4.547 16.491 1.00 0.00 N ATOM 265 CZ ARG A 19 -9.263 -4.344 16.510 1.00 0.00 C ATOM 266 NH1 ARG A 19 -10.078 -5.189 15.865 1.00 0.00 N ATOM 267 NH2 ARG A 19 -9.771 -3.295 17.171 1.00 0.00 N ATOM 0 H ARG A 19 -3.110 -2.973 16.196 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.244 -4.904 18.091 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.446 -3.879 15.978 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.477 -5.028 15.076 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.526 -6.900 16.053 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.001 -6.018 17.491 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.171 -5.437 14.730 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.900 -6.566 15.855 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.346 -3.884 16.992 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.690 -5.986 15.360 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.086 -5.036 15.879 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.150 -2.651 17.660 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.779 -3.141 17.185 1.00 0.00 H new ATOM 278 N GLY A 20 -2.063 -5.590 15.692 1.00 0.00 N ATOM 279 CA GLY A 20 -1.012 -6.510 15.290 1.00 0.00 C ATOM 280 C GLY A 20 -0.496 -6.174 13.889 1.00 0.00 C ATOM 281 O GLY A 20 0.710 -6.055 13.681 1.00 0.00 O ATOM 0 H GLY A 20 -2.222 -4.816 15.047 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.190 -6.464 16.005 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.392 -7.532 15.306 1.00 0.00 H new ATOM 285 N GLU A 21 -1.435 -6.031 12.965 1.00 0.00 N ATOM 286 CA GLU A 21 -1.089 -5.711 11.590 1.00 0.00 C ATOM 287 C GLU A 21 -0.158 -4.498 11.546 1.00 0.00 C ATOM 288 O GLU A 21 0.863 -4.521 10.861 1.00 0.00 O ATOM 289 CB GLU A 21 -2.346 -5.467 10.752 1.00 0.00 C ATOM 290 CG GLU A 21 -3.278 -6.680 10.797 1.00 0.00 C ATOM 291 CD GLU A 21 -2.547 -7.951 10.356 1.00 0.00 C ATOM 292 OE1 GLU A 21 -1.752 -8.508 11.127 1.00 0.00 O ATOM 293 OE2 GLU A 21 -2.830 -8.356 9.164 1.00 0.00 O ATOM 0 H GLU A 21 -2.435 -6.131 13.141 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.564 -6.564 11.160 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.870 -4.587 11.124 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.065 -5.258 9.720 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.663 -6.810 11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.137 -6.507 10.149 1.00 0.00 H new ATOM 299 N ALA A 22 -0.543 -3.469 12.286 1.00 0.00 N ATOM 300 CA ALA A 22 0.246 -2.249 12.339 1.00 0.00 C ATOM 301 C ALA A 22 1.617 -2.560 12.941 1.00 0.00 C ATOM 302 O ALA A 22 2.635 -2.050 12.473 1.00 0.00 O ATOM 303 CB ALA A 22 -0.513 -1.185 13.135 1.00 0.00 C ATOM 0 H ALA A 22 -1.390 -3.454 12.854 1.00 0.00 H new ATOM 0 HA ALA A 22 0.408 -1.852 11.337 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.078 -0.270 13.175 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.467 -0.980 12.650 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.691 -1.546 14.148 1.00 0.00 H new ATOM 309 N THR A 23 1.602 -3.394 13.970 1.00 0.00 N ATOM 310 CA THR A 23 2.831 -3.779 14.641 1.00 0.00 C ATOM 311 C THR A 23 3.696 -4.639 13.717 1.00 0.00 C ATOM 312 O THR A 23 4.778 -4.221 13.306 1.00 0.00 O ATOM 313 CB THR A 23 2.458 -4.479 15.948 1.00 0.00 C ATOM 314 OG1 THR A 23 2.489 -3.438 16.921 1.00 0.00 O ATOM 315 CG2 THR A 23 3.536 -5.459 16.417 1.00 0.00 C ATOM 0 H THR A 23 0.756 -3.814 14.356 1.00 0.00 H new ATOM 0 HA THR A 23 3.438 -2.907 14.885 1.00 0.00 H new ATOM 0 HB THR A 23 1.516 -5.011 15.818 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.257 -3.805 17.800 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.221 -5.928 17.349 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.686 -6.226 15.657 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.470 -4.922 16.580 1.00 0.00 H new ATOM 323 N GLN A 24 3.187 -5.825 13.417 1.00 0.00 N ATOM 324 CA GLN A 24 3.900 -6.747 12.550 1.00 0.00 C ATOM 325 C GLN A 24 4.355 -6.033 11.274 1.00 0.00 C ATOM 326 O GLN A 24 5.366 -6.402 10.679 1.00 0.00 O ATOM 327 CB GLN A 24 3.037 -7.965 12.217 1.00 0.00 C ATOM 328 CG GLN A 24 1.741 -7.545 11.521 1.00 0.00 C ATOM 329 CD GLN A 24 1.727 -8.009 10.062 1.00 0.00 C ATOM 330 OE1 GLN A 24 2.300 -9.024 9.700 1.00 0.00 O ATOM 331 NE2 GLN A 24 1.043 -7.211 9.247 1.00 0.00 N ATOM 0 H GLN A 24 2.289 -6.168 13.759 1.00 0.00 H new ATOM 0 HA GLN A 24 4.784 -7.102 13.080 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.595 -8.646 11.574 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.803 -8.510 13.131 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.887 -7.968 12.049 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.636 -6.461 11.563 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.587 -6.376 9.615 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.975 -7.434 8.254 1.00 0.00 H new ATOM 338 N SER A 25 3.585 -5.025 10.893 1.00 0.00 N ATOM 339 CA SER A 25 3.896 -4.256 9.699 1.00 0.00 C ATOM 340 C SER A 25 5.359 -3.811 9.730 1.00 0.00 C ATOM 341 O SER A 25 5.823 -3.258 10.728 1.00 0.00 O ATOM 342 CB SER A 25 2.974 -3.042 9.571 1.00 0.00 C ATOM 343 OG SER A 25 2.118 -3.138 8.437 1.00 0.00 O ATOM 0 H SER A 25 2.747 -4.723 11.389 1.00 0.00 H new ATOM 0 HA SER A 25 3.735 -4.893 8.830 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.370 -2.949 10.474 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.576 -2.136 9.495 1.00 0.00 H new ATOM 0 HG SER A 25 1.544 -2.345 8.392 1.00 0.00 H new ATOM 348 N ILE A 26 6.046 -4.068 8.627 1.00 0.00 N ATOM 349 CA ILE A 26 7.447 -3.700 8.516 1.00 0.00 C ATOM 350 C ILE A 26 7.568 -2.175 8.464 1.00 0.00 C ATOM 351 O ILE A 26 8.512 -1.606 9.008 1.00 0.00 O ATOM 352 CB ILE A 26 8.094 -4.409 7.324 1.00 0.00 C ATOM 353 CG1 ILE A 26 7.263 -4.213 6.053 1.00 0.00 C ATOM 354 CG2 ILE A 26 8.333 -5.888 7.629 1.00 0.00 C ATOM 355 CD1 ILE A 26 8.140 -3.737 4.893 1.00 0.00 C ATOM 0 H ILE A 26 5.659 -4.527 7.802 1.00 0.00 H new ATOM 0 HA ILE A 26 7.999 -4.034 9.395 1.00 0.00 H new ATOM 0 HB ILE A 26 9.069 -3.956 7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.776 -5.150 5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.473 -3.485 6.239 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.793 -6.368 6.765 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.994 -5.980 8.491 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.382 -6.373 7.849 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.525 -3.606 4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.606 -2.787 5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.914 -4.478 4.694 1.00 0.00 H new ATOM 366 N ILE A 27 6.597 -1.559 7.806 1.00 0.00 N ATOM 367 CA ILE A 27 6.582 -0.112 7.677 1.00 0.00 C ATOM 368 C ILE A 27 6.492 0.519 9.067 1.00 0.00 C ATOM 369 O ILE A 27 7.080 1.570 9.316 1.00 0.00 O ATOM 370 CB ILE A 27 5.468 0.330 6.726 1.00 0.00 C ATOM 371 CG1 ILE A 27 5.818 1.656 6.050 1.00 0.00 C ATOM 372 CG2 ILE A 27 4.122 0.393 7.451 1.00 0.00 C ATOM 373 CD1 ILE A 27 5.500 1.610 4.554 1.00 0.00 C ATOM 0 H ILE A 27 5.815 -2.036 7.357 1.00 0.00 H new ATOM 0 HA ILE A 27 7.510 0.240 7.227 1.00 0.00 H new ATOM 0 HB ILE A 27 5.375 -0.417 5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.260 2.466 6.519 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.876 1.873 6.194 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.347 0.710 6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.875 -0.593 7.845 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.184 1.107 8.272 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.758 2.566 4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.078 0.815 4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.436 1.417 4.414 1.00 0.00 H new ATOM 384 N GLY A 28 5.749 -0.149 9.937 1.00 0.00 N ATOM 385 CA GLY A 28 5.572 0.334 11.297 1.00 0.00 C ATOM 386 C GLY A 28 5.204 1.819 11.308 1.00 0.00 C ATOM 387 O GLY A 28 6.076 2.679 11.209 1.00 0.00 O ATOM 0 H GLY A 28 5.262 -1.021 9.727 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.790 -0.242 11.792 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.490 0.179 11.864 1.00 0.00 H new ATOM 391 N GLY A 29 3.908 2.073 11.431 1.00 0.00 N ATOM 392 CA GLY A 29 3.414 3.438 11.457 1.00 0.00 C ATOM 393 C GLY A 29 3.729 4.112 12.794 1.00 0.00 C ATOM 394 O GLY A 29 4.208 5.245 12.826 1.00 0.00 O ATOM 0 H GLY A 29 3.187 1.356 11.514 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.865 4.007 10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.337 3.442 11.289 1.00 0.00 H new ATOM 398 N MET A 30 3.448 3.386 13.866 1.00 0.00 N ATOM 399 CA MET A 30 3.696 3.897 15.202 1.00 0.00 C ATOM 400 C MET A 30 5.182 4.200 15.408 1.00 0.00 C ATOM 401 O MET A 30 5.543 5.298 15.828 1.00 0.00 O ATOM 402 CB MET A 30 3.237 2.867 16.237 1.00 0.00 C ATOM 403 CG MET A 30 1.762 3.065 16.590 1.00 0.00 C ATOM 404 SD MET A 30 1.616 3.912 18.155 1.00 0.00 S ATOM 405 CE MET A 30 0.859 5.436 17.614 1.00 0.00 C ATOM 0 H MET A 30 3.051 2.447 13.836 1.00 0.00 H new ATOM 0 HA MET A 30 3.135 4.824 15.325 1.00 0.00 H new ATOM 0 HB2 MET A 30 3.389 1.861 15.846 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.845 2.955 17.137 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.267 3.641 15.808 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.259 2.099 16.642 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.696 6.087 18.473 1.00 0.00 H new ATOM 0 HE2 MET A 30 1.515 5.935 16.900 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.097 5.218 17.138 1.00 0.00 H new ATOM 413 N ILE A 31 6.003 3.206 15.100 1.00 0.00 N ATOM 414 CA ILE A 31 7.441 3.351 15.245 1.00 0.00 C ATOM 415 C ILE A 31 7.905 4.584 14.467 1.00 0.00 C ATOM 416 O ILE A 31 8.556 5.467 15.025 1.00 0.00 O ATOM 417 CB ILE A 31 8.155 2.061 14.836 1.00 0.00 C ATOM 418 CG1 ILE A 31 9.669 2.193 15.009 1.00 0.00 C ATOM 419 CG2 ILE A 31 7.774 1.652 13.412 1.00 0.00 C ATOM 420 CD1 ILE A 31 10.386 0.921 14.551 1.00 0.00 C ATOM 0 H ILE A 31 5.699 2.297 14.751 1.00 0.00 H new ATOM 0 HA ILE A 31 7.704 3.515 16.290 1.00 0.00 H new ATOM 0 HB ILE A 31 7.824 1.262 15.500 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.031 3.046 14.435 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.903 2.390 16.055 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.295 0.732 13.146 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.698 1.489 13.356 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.057 2.443 12.718 1.00 0.00 H new ATOM 0 HD11 ILE A 31 11.461 1.041 14.685 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.039 0.074 15.144 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.169 0.740 13.498 1.00 0.00 H new ATOM 431 N SER A 32 7.553 4.605 13.189 1.00 0.00 N ATOM 432 CA SER A 32 7.926 5.715 12.329 1.00 0.00 C ATOM 433 C SER A 32 7.710 7.041 13.061 1.00 0.00 C ATOM 434 O SER A 32 8.480 7.984 12.886 1.00 0.00 O ATOM 435 CB SER A 32 7.127 5.692 11.024 1.00 0.00 C ATOM 436 OG SER A 32 7.617 6.643 10.083 1.00 0.00 O ATOM 0 H SER A 32 7.014 3.871 12.729 1.00 0.00 H new ATOM 0 HA SER A 32 8.982 5.614 12.079 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.172 4.694 10.588 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.078 5.899 11.237 1.00 0.00 H new ATOM 0 HG SER A 32 7.083 6.597 9.263 1.00 0.00 H new ATOM 441 N GLY A 33 6.658 7.070 13.867 1.00 0.00 N ATOM 442 CA GLY A 33 6.331 8.265 14.627 1.00 0.00 C ATOM 443 C GLY A 33 7.303 8.458 15.792 1.00 0.00 C ATOM 444 O GLY A 33 7.702 9.582 16.093 1.00 0.00 O ATOM 0 H GLY A 33 6.022 6.286 14.010 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.364 9.136 13.973 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.312 8.191 15.007 1.00 0.00 H new ATOM 448 N TRP A 34 7.657 7.344 16.415 1.00 0.00 N ATOM 449 CA TRP A 34 8.576 7.376 17.541 1.00 0.00 C ATOM 450 C TRP A 34 9.894 7.986 17.059 1.00 0.00 C ATOM 451 O TRP A 34 10.347 8.996 17.595 1.00 0.00 O ATOM 452 CB TRP A 34 8.749 5.982 18.147 1.00 0.00 C ATOM 453 CG TRP A 34 9.417 5.980 19.524 1.00 0.00 C ATOM 454 CD1 TRP A 34 9.126 6.749 20.582 1.00 0.00 C ATOM 455 CD2 TRP A 34 10.506 5.135 19.950 1.00 0.00 C ATOM 456 NE1 TRP A 34 9.946 6.461 21.656 1.00 0.00 N ATOM 457 CE2 TRP A 34 10.811 5.448 21.259 1.00 0.00 C ATOM 458 CE3 TRP A 34 11.210 4.138 19.253 1.00 0.00 C ATOM 459 CZ2 TRP A 34 11.826 4.812 21.983 1.00 0.00 C ATOM 460 CZ3 TRP A 34 12.222 3.511 19.990 1.00 0.00 C ATOM 461 CH2 TRP A 34 12.542 3.815 21.309 1.00 0.00 C ATOM 0 H TRP A 34 7.324 6.414 16.162 1.00 0.00 H new ATOM 0 HA TRP A 34 8.179 7.996 18.345 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.771 5.509 18.229 1.00 0.00 H new ATOM 0 HB3 TRP A 34 9.342 5.372 17.466 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.349 7.499 20.594 1.00 0.00 H new ATOM 0 HE1 TRP A 34 9.921 6.909 22.572 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.988 3.876 18.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 12.045 5.076 23.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.794 2.737 19.500 1.00 0.00 H new ATOM 0 HH2 TRP A 34 13.338 3.285 21.811 1.00 0.00 H new ATOM 471 N ALA A 35 10.471 7.347 16.053 1.00 0.00 N ATOM 472 CA ALA A 35 11.728 7.814 15.492 1.00 0.00 C ATOM 473 C ALA A 35 11.552 9.245 14.980 1.00 0.00 C ATOM 474 O ALA A 35 12.445 10.077 15.131 1.00 0.00 O ATOM 475 CB ALA A 35 12.186 6.854 14.393 1.00 0.00 C ATOM 0 H ALA A 35 10.092 6.509 15.611 1.00 0.00 H new ATOM 0 HA ALA A 35 12.506 7.830 16.255 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.129 7.205 13.973 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.325 5.858 14.814 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.431 6.814 13.607 1.00 0.00 H new ATOM 481 N SER A 36 10.393 9.488 14.384 1.00 0.00 N ATOM 482 CA SER A 36 10.089 10.805 13.849 1.00 0.00 C ATOM 483 C SER A 36 9.979 11.820 14.988 1.00 0.00 C ATOM 484 O SER A 36 10.342 12.984 14.824 1.00 0.00 O ATOM 485 CB SER A 36 8.796 10.781 13.031 1.00 0.00 C ATOM 486 OG SER A 36 8.495 12.056 12.473 1.00 0.00 O ATOM 0 H SER A 36 9.654 8.796 14.260 1.00 0.00 H new ATOM 0 HA SER A 36 10.901 11.101 13.185 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.887 10.047 12.230 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.971 10.459 13.666 1.00 0.00 H new ATOM 0 HG SER A 36 7.664 11.999 11.957 1.00 0.00 H new ATOM 491 N GLY A 37 9.478 11.342 16.118 1.00 0.00 N ATOM 492 CA GLY A 37 9.314 12.194 17.283 1.00 0.00 C ATOM 493 C GLY A 37 10.673 12.593 17.864 1.00 0.00 C ATOM 494 O GLY A 37 10.966 13.779 18.007 1.00 0.00 O ATOM 0 H GLY A 37 9.180 10.375 16.251 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.755 13.088 17.009 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.729 11.672 18.041 1.00 0.00 H new ATOM 498 N LEU A 38 11.465 11.581 18.182 1.00 0.00 N ATOM 499 CA LEU A 38 12.785 11.811 18.744 1.00 0.00 C ATOM 500 C LEU A 38 13.585 12.713 17.802 1.00 0.00 C ATOM 501 O LEU A 38 14.155 13.715 18.233 1.00 0.00 O ATOM 502 CB LEU A 38 13.475 10.481 19.055 1.00 0.00 C ATOM 503 CG LEU A 38 13.579 9.492 17.892 1.00 0.00 C ATOM 504 CD1 LEU A 38 14.787 9.808 17.008 1.00 0.00 C ATOM 505 CD2 LEU A 38 13.603 8.049 18.400 1.00 0.00 C ATOM 0 H LEU A 38 11.218 10.599 18.061 1.00 0.00 H new ATOM 0 HA LEU A 38 12.707 12.333 19.697 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.481 10.692 19.418 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.937 9.997 19.870 1.00 0.00 H new ATOM 0 HG LEU A 38 12.689 9.601 17.272 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.837 9.090 16.190 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.687 10.815 16.602 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.699 9.745 17.602 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.677 7.366 17.553 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.462 7.908 19.056 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.687 7.843 18.953 1.00 0.00 H new ATOM 516 N ALA A 39 13.602 12.326 16.536 1.00 0.00 N ATOM 517 CA ALA A 39 14.323 13.088 15.530 1.00 0.00 C ATOM 518 C ALA A 39 13.627 14.435 15.320 1.00 0.00 C ATOM 519 O ALA A 39 14.271 15.423 14.972 1.00 0.00 O ATOM 520 CB ALA A 39 14.414 12.272 14.239 1.00 0.00 C ATOM 0 H ALA A 39 13.128 11.495 16.183 1.00 0.00 H new ATOM 0 HA ALA A 39 15.342 13.291 15.860 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.955 12.844 13.485 1.00 0.00 H new ATOM 0 HB2 ALA A 39 14.942 11.339 14.435 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.410 12.051 13.876 1.00 0.00 H new ATOM 526 N GLY A 40 12.320 14.430 15.541 1.00 0.00 N ATOM 527 CA GLY A 40 11.530 15.638 15.381 1.00 0.00 C ATOM 528 C GLY A 40 11.684 16.559 16.593 1.00 0.00 C ATOM 529 O GLY A 40 10.728 16.785 17.332 1.00 0.00 O ATOM 0 H GLY A 40 11.789 13.608 15.829 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.842 16.164 14.478 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.480 15.376 15.250 1.00 0.00 H new ATOM 533 N MET A 41 12.897 17.067 16.759 1.00 0.00 N ATOM 534 CA MET A 41 13.189 17.959 17.868 1.00 0.00 C ATOM 535 C MET A 41 12.902 17.279 19.208 1.00 0.00 C ATOM 536 O MET A 41 13.387 17.720 20.249 1.00 0.00 O ATOM 537 CB MET A 41 12.338 19.224 17.745 1.00 0.00 C ATOM 538 CG MET A 41 13.193 20.421 17.320 1.00 0.00 C ATOM 539 SD MET A 41 12.868 21.813 18.390 1.00 0.00 S ATOM 540 CE MET A 41 13.943 23.030 17.649 1.00 0.00 C ATOM 0 H MET A 41 13.688 16.878 16.144 1.00 0.00 H new ATOM 0 HA MET A 41 14.247 18.218 17.832 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.544 19.063 17.016 1.00 0.00 H new ATOM 0 HB3 MET A 41 11.857 19.437 18.699 1.00 0.00 H new ATOM 0 HG2 MET A 41 14.250 20.157 17.363 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.973 20.687 16.286 1.00 0.00 H new ATOM 0 HE1 MET A 41 13.863 23.968 18.198 1.00 0.00 H new ATOM 0 HE2 MET A 41 14.973 22.675 17.684 1.00 0.00 H new ATOM 0 HE3 MET A 41 13.650 23.191 16.612 1.00 0.00 H new TER 548 MET A 41