USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 510 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 Single : A 1 ALA N :NH3+ -137:sc= -0.0226 (180deg=-0.903) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -2.51! USER MOD Single : A 12 HIS : no HE2:sc= -0.295 X(o=-0.29,f=-0.47) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 28 THR OG1 : rot 29:sc= 0.223 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc=-0.00518 X(o=-0.0052,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0.00266 K(o=0.0027,f=-1.4!) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -35:sc= 1.08 USER MOD Single : A 53 ASN : amide:sc= -0.696 K(o=-0.7,f=-7.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.0744 X(o=0.074,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.385 3.460 0.648 1.00 22.24 N ATOM 2 CA ALA A 1 0.337 4.081 -0.455 1.00 70.33 C ATOM 3 C ALA A 1 0.802 3.036 -1.464 1.00 53.02 C ATOM 4 O ALA A 1 1.984 2.704 -1.550 1.00 20.51 O ATOM 5 CB ALA A 1 1.524 4.874 0.070 1.00 10.34 C ATOM 0 H1 ALA A 1 -1.228 4.026 0.873 1.00 22.24 H new ATOM 0 H2 ALA A 1 -0.676 2.499 0.376 1.00 22.24 H new ATOM 0 H3 ALA A 1 0.233 3.411 1.483 1.00 22.24 H new ATOM 0 HA ALA A 1 -0.344 4.763 -0.964 1.00 70.33 H new ATOM 0 HB1 ALA A 1 2.054 5.332 -0.765 1.00 10.34 H new ATOM 0 HB2 ALA A 1 1.171 5.652 0.747 1.00 10.34 H new ATOM 0 HB3 ALA A 1 2.199 4.207 0.606 1.00 10.34 H new ATOM 11 N PRO A 2 -0.149 2.504 -2.247 1.00 1.12 N ATOM 12 CA PRO A 2 0.140 1.489 -3.264 1.00 73.20 C ATOM 13 C PRO A 2 0.929 2.054 -4.440 1.00 1.12 C ATOM 14 O PRO A 2 1.098 3.267 -4.560 1.00 41.11 O ATOM 15 CB PRO A 2 -1.250 1.039 -3.720 1.00 74.43 C ATOM 16 CG PRO A 2 -2.138 2.200 -3.433 1.00 0.01 C ATOM 17 CD PRO A 2 -1.579 2.853 -2.199 1.00 43.44 C ATOM 0 HA PRO A 2 0.757 0.682 -2.870 1.00 73.20 H new ATOM 0 HB2 PRO A 2 -1.257 0.788 -4.781 1.00 74.43 H new ATOM 0 HB3 PRO A 2 -1.575 0.149 -3.180 1.00 74.43 H new ATOM 0 HG2 PRO A 2 -2.152 2.897 -4.271 1.00 0.01 H new ATOM 0 HG3 PRO A 2 -3.166 1.875 -3.271 1.00 0.01 H new ATOM 0 HD2 PRO A 2 -1.730 3.932 -2.212 1.00 43.44 H new ATOM 0 HD3 PRO A 2 -2.055 2.475 -1.294 1.00 43.44 H new ATOM 25 N ALA A 3 1.410 1.167 -5.305 1.00 11.21 N ATOM 26 CA ALA A 3 2.179 1.579 -6.473 1.00 22.44 C ATOM 27 C ALA A 3 1.346 2.462 -7.395 1.00 45.13 C ATOM 28 O ALA A 3 0.121 2.355 -7.433 1.00 73.32 O ATOM 29 CB ALA A 3 2.689 0.359 -7.225 1.00 60.44 C ATOM 0 H ALA A 3 1.281 0.159 -5.219 1.00 11.21 H new ATOM 0 HA ALA A 3 3.033 2.163 -6.129 1.00 22.44 H new ATOM 0 HB1 ALA A 3 3.262 0.681 -8.095 1.00 60.44 H new ATOM 0 HB2 ALA A 3 3.328 -0.232 -6.569 1.00 60.44 H new ATOM 0 HB3 ALA A 3 1.844 -0.247 -7.551 1.00 60.44 H new ATOM 35 N ARG A 4 2.020 3.335 -8.137 1.00 52.32 N ATOM 36 CA ARG A 4 1.341 4.239 -9.058 1.00 61.24 C ATOM 37 C ARG A 4 2.066 4.293 -10.400 1.00 23.01 C ATOM 38 O ARG A 4 3.097 3.646 -10.587 1.00 72.20 O ATOM 39 CB ARG A 4 1.253 5.643 -8.457 1.00 72.32 C ATOM 40 CG ARG A 4 -0.047 5.907 -7.715 1.00 71.30 C ATOM 41 CD ARG A 4 -0.479 7.359 -7.848 1.00 32.35 C ATOM 42 NE ARG A 4 -1.899 7.536 -7.555 1.00 0.11 N ATOM 43 CZ ARG A 4 -2.414 7.449 -6.334 1.00 10.24 C ATOM 44 NH1 ARG A 4 -1.630 7.189 -5.297 1.00 2.03 N ATOM 45 NH2 ARG A 4 -3.716 7.623 -6.148 1.00 13.15 N ATOM 0 H ARG A 4 3.035 3.435 -8.118 1.00 52.32 H new ATOM 0 HA ARG A 4 0.333 3.859 -9.224 1.00 61.24 H new ATOM 0 HB2 ARG A 4 2.088 5.789 -7.772 1.00 72.32 H new ATOM 0 HB3 ARG A 4 1.362 6.378 -9.254 1.00 72.32 H new ATOM 0 HG2 ARG A 4 -0.829 5.256 -8.106 1.00 71.30 H new ATOM 0 HG3 ARG A 4 0.077 5.658 -6.661 1.00 71.30 H new ATOM 0 HD2 ARG A 4 0.111 7.976 -7.170 1.00 32.35 H new ATOM 0 HD3 ARG A 4 -0.271 7.708 -8.859 1.00 32.35 H new ATOM 0 HE ARG A 4 -2.530 7.738 -8.331 1.00 0.11 H new ATOM 0 HH11 ARG A 4 -0.628 7.055 -5.436 1.00 2.03 H new ATOM 0 HH12 ARG A 4 -2.028 7.123 -4.360 1.00 2.03 H new ATOM 0 HH21 ARG A 4 -4.322 7.824 -6.943 1.00 13.15 H new ATOM 0 HH22 ARG A 4 -4.111 7.556 -5.210 1.00 13.15 H new ATOM 59 N PHE A 5 1.521 5.069 -11.331 1.00 34.23 N ATOM 60 CA PHE A 5 2.114 5.206 -12.655 1.00 42.55 C ATOM 61 C PHE A 5 2.089 6.662 -13.114 1.00 72.53 C ATOM 62 O PHE A 5 1.469 7.514 -12.478 1.00 3.51 O ATOM 63 CB PHE A 5 1.371 4.329 -13.664 1.00 71.45 C ATOM 64 CG PHE A 5 1.834 2.900 -13.672 1.00 24.00 C ATOM 65 CD1 PHE A 5 1.573 2.067 -12.596 1.00 12.43 C ATOM 66 CD2 PHE A 5 2.531 2.389 -14.755 1.00 50.43 C ATOM 67 CE1 PHE A 5 1.999 0.753 -12.600 1.00 31.41 C ATOM 68 CE2 PHE A 5 2.959 1.075 -14.765 1.00 42.23 C ATOM 69 CZ PHE A 5 2.692 0.256 -13.686 1.00 72.44 C ATOM 0 H PHE A 5 0.669 5.613 -11.192 1.00 34.23 H new ATOM 0 HA PHE A 5 3.152 4.879 -12.596 1.00 42.55 H new ATOM 0 HB2 PHE A 5 0.305 4.356 -13.440 1.00 71.45 H new ATOM 0 HB3 PHE A 5 1.498 4.749 -14.662 1.00 71.45 H new ATOM 0 HD1 PHE A 5 1.030 2.450 -11.744 1.00 12.43 H new ATOM 0 HD2 PHE A 5 2.742 3.025 -15.602 1.00 50.43 H new ATOM 0 HE1 PHE A 5 1.790 0.115 -11.754 1.00 31.41 H new ATOM 0 HE2 PHE A 5 3.501 0.689 -15.616 1.00 42.23 H new ATOM 0 HZ PHE A 5 3.025 -0.772 -13.691 1.00 72.44 H new ATOM 79 N CYS A 6 2.767 6.938 -14.223 1.00 71.12 N ATOM 80 CA CYS A 6 2.824 8.289 -14.768 1.00 62.34 C ATOM 81 C CYS A 6 2.474 8.291 -16.254 1.00 3.13 C ATOM 82 O CYS A 6 2.956 7.454 -17.018 1.00 15.15 O ATOM 83 CB CYS A 6 4.217 8.886 -14.560 1.00 42.45 C ATOM 84 SG CYS A 6 4.643 9.189 -12.815 1.00 43.55 S ATOM 0 H CYS A 6 3.285 6.244 -14.762 1.00 71.12 H new ATOM 0 HA CYS A 6 2.092 8.899 -14.239 1.00 62.34 H new ATOM 0 HB2 CYS A 6 4.957 8.213 -14.992 1.00 42.45 H new ATOM 0 HB3 CYS A 6 4.283 9.826 -15.108 1.00 42.45 H new ATOM 89 N VAL A 7 1.633 9.238 -16.656 1.00 50.33 N ATOM 90 CA VAL A 7 1.219 9.351 -18.050 1.00 1.42 C ATOM 91 C VAL A 7 1.620 10.701 -18.634 1.00 41.14 C ATOM 92 O VAL A 7 1.750 11.689 -17.911 1.00 24.32 O ATOM 93 CB VAL A 7 -0.303 9.171 -18.199 1.00 52.35 C ATOM 94 CG1 VAL A 7 -0.701 7.731 -17.915 1.00 13.11 C ATOM 95 CG2 VAL A 7 -1.046 10.130 -17.281 1.00 24.24 C ATOM 0 H VAL A 7 1.225 9.938 -16.037 1.00 50.33 H new ATOM 0 HA VAL A 7 1.727 8.557 -18.597 1.00 1.42 H new ATOM 0 HB VAL A 7 -0.579 9.403 -19.228 1.00 52.35 H new ATOM 0 HG11 VAL A 7 -1.780 7.623 -18.025 1.00 13.11 H new ATOM 0 HG12 VAL A 7 -0.196 7.069 -18.618 1.00 13.11 H new ATOM 0 HG13 VAL A 7 -0.412 7.468 -16.898 1.00 13.11 H new ATOM 0 HG21 VAL A 7 -2.120 9.989 -17.400 1.00 24.24 H new ATOM 0 HG22 VAL A 7 -0.766 9.933 -16.246 1.00 24.24 H new ATOM 0 HG23 VAL A 7 -0.784 11.156 -17.539 1.00 24.24 H new ATOM 105 N TYR A 8 1.814 10.736 -19.948 1.00 1.31 N ATOM 106 CA TYR A 8 2.202 11.965 -20.631 1.00 24.25 C ATOM 107 C TYR A 8 1.205 12.315 -21.731 1.00 3.22 C ATOM 108 O TYR A 8 0.851 11.472 -22.555 1.00 62.20 O ATOM 109 CB TYR A 8 3.605 11.822 -21.224 1.00 72.33 C ATOM 110 CG TYR A 8 4.497 13.015 -20.966 1.00 34.05 C ATOM 111 CD1 TYR A 8 4.695 13.492 -19.675 1.00 72.25 C ATOM 112 CD2 TYR A 8 5.140 13.666 -22.011 1.00 0.24 C ATOM 113 CE1 TYR A 8 5.508 14.582 -19.434 1.00 41.21 C ATOM 114 CE2 TYR A 8 5.956 14.756 -21.778 1.00 42.24 C ATOM 115 CZ TYR A 8 6.137 15.211 -20.489 1.00 30.43 C ATOM 116 OH TYR A 8 6.948 16.297 -20.253 1.00 61.04 O ATOM 0 H TYR A 8 1.709 9.928 -20.561 1.00 1.31 H new ATOM 0 HA TYR A 8 2.205 12.773 -19.899 1.00 24.25 H new ATOM 0 HB2 TYR A 8 4.076 10.931 -20.810 1.00 72.33 H new ATOM 0 HB3 TYR A 8 3.521 11.668 -22.300 1.00 72.33 H new ATOM 0 HD1 TYR A 8 4.205 13.002 -18.847 1.00 72.25 H new ATOM 0 HD2 TYR A 8 5.000 13.314 -23.022 1.00 0.24 H new ATOM 0 HE1 TYR A 8 5.651 14.940 -18.425 1.00 41.21 H new ATOM 0 HE2 TYR A 8 6.450 15.250 -22.602 1.00 42.24 H new ATOM 0 HH TYR A 8 7.315 16.622 -21.102 1.00 61.04 H new ATOM 126 N TYR A 9 0.757 13.566 -21.737 1.00 60.53 N ATOM 127 CA TYR A 9 -0.201 14.029 -22.734 1.00 64.04 C ATOM 128 C TYR A 9 0.368 15.197 -23.534 1.00 12.51 C ATOM 129 O TYR A 9 1.484 15.652 -23.282 1.00 12.22 O ATOM 130 CB TYR A 9 -1.509 14.446 -22.060 1.00 42.15 C ATOM 131 CG TYR A 9 -2.393 13.280 -21.681 1.00 21.25 C ATOM 132 CD1 TYR A 9 -2.240 12.636 -20.459 1.00 24.22 C ATOM 133 CD2 TYR A 9 -3.381 12.821 -22.543 1.00 43.22 C ATOM 134 CE1 TYR A 9 -3.044 11.569 -20.108 1.00 15.34 C ATOM 135 CE2 TYR A 9 -4.191 11.757 -22.200 1.00 31.43 C ATOM 136 CZ TYR A 9 -4.019 11.134 -20.981 1.00 70.21 C ATOM 137 OH TYR A 9 -4.823 10.072 -20.636 1.00 33.02 O ATOM 0 H TYR A 9 1.042 14.277 -21.063 1.00 60.53 H new ATOM 0 HA TYR A 9 -0.401 13.206 -23.420 1.00 64.04 H new ATOM 0 HB2 TYR A 9 -1.279 15.023 -21.164 1.00 42.15 H new ATOM 0 HB3 TYR A 9 -2.060 15.106 -22.731 1.00 42.15 H new ATOM 0 HD1 TYR A 9 -1.479 12.976 -19.772 1.00 24.22 H new ATOM 0 HD2 TYR A 9 -3.518 13.305 -23.499 1.00 43.22 H new ATOM 0 HE1 TYR A 9 -2.910 11.078 -19.155 1.00 15.34 H new ATOM 0 HE2 TYR A 9 -4.955 11.414 -22.882 1.00 31.43 H new ATOM 0 HH TYR A 9 -5.458 9.893 -21.361 1.00 33.02 H new ATOM 147 N ASP A 10 -0.409 15.679 -24.498 1.00 65.23 N ATOM 148 CA ASP A 10 0.015 16.796 -25.335 1.00 20.31 C ATOM 149 C ASP A 10 -0.980 17.948 -25.247 1.00 53.42 C ATOM 150 O ASP A 10 -2.164 17.741 -24.986 1.00 54.00 O ATOM 151 CB ASP A 10 0.164 16.344 -26.789 1.00 23.15 C ATOM 152 CG ASP A 10 1.334 17.011 -27.485 1.00 24.32 C ATOM 153 OD1 ASP A 10 1.153 18.128 -28.013 1.00 73.21 O ATOM 154 OD2 ASP A 10 2.432 16.416 -27.501 1.00 21.24 O ATOM 0 H ASP A 10 -1.335 15.314 -24.719 1.00 65.23 H new ATOM 0 HA ASP A 10 0.981 17.145 -24.971 1.00 20.31 H new ATOM 0 HB2 ASP A 10 0.296 15.262 -26.819 1.00 23.15 H new ATOM 0 HB3 ASP A 10 -0.754 16.568 -27.332 1.00 23.15 H new ATOM 159 N GLY A 11 -0.490 19.165 -25.466 1.00 73.04 N ATOM 160 CA GLY A 11 -1.350 20.333 -25.406 1.00 63.23 C ATOM 161 C GLY A 11 -2.586 20.188 -26.271 1.00 71.12 C ATOM 162 O GLY A 11 -2.518 20.325 -27.493 1.00 44.50 O ATOM 0 H GLY A 11 0.487 19.363 -25.684 1.00 73.04 H new ATOM 0 HA2 GLY A 11 -1.652 20.506 -24.373 1.00 63.23 H new ATOM 0 HA3 GLY A 11 -0.788 21.211 -25.725 1.00 63.23 H new ATOM 166 N HIS A 12 -3.720 19.908 -25.637 1.00 74.43 N ATOM 167 CA HIS A 12 -4.978 19.743 -26.358 1.00 20.44 C ATOM 168 C HIS A 12 -6.149 19.630 -25.387 1.00 34.14 C ATOM 169 O HIS A 12 -6.112 18.841 -24.441 1.00 73.25 O ATOM 170 CB HIS A 12 -4.920 18.503 -27.251 1.00 23.13 C ATOM 171 CG HIS A 12 -5.139 18.800 -28.702 1.00 65.23 C ATOM 172 ND1 HIS A 12 -5.892 17.994 -29.530 1.00 1.30 N ATOM 173 CD2 HIS A 12 -4.699 19.822 -29.473 1.00 11.11 C ATOM 174 CE1 HIS A 12 -5.905 18.507 -30.747 1.00 50.42 C ATOM 175 NE2 HIS A 12 -5.189 19.617 -30.739 1.00 41.23 N ATOM 0 H HIS A 12 -3.794 19.791 -24.626 1.00 74.43 H new ATOM 0 HA HIS A 12 -5.129 20.624 -26.982 1.00 20.44 H new ATOM 0 HB2 HIS A 12 -3.949 18.023 -27.129 1.00 23.13 H new ATOM 0 HB3 HIS A 12 -5.673 17.789 -26.917 1.00 23.13 H new ATOM 0 HD1 HIS A 12 -6.365 17.136 -29.247 1.00 1.30 H new ATOM 0 HD2 HIS A 12 -4.078 20.645 -29.152 1.00 11.11 H new ATOM 0 HE1 HIS A 12 -6.414 18.090 -31.603 1.00 50.42 H new ATOM 183 N LEU A 13 -7.187 20.424 -25.625 1.00 35.20 N ATOM 184 CA LEU A 13 -8.370 20.414 -24.771 1.00 73.11 C ATOM 185 C LEU A 13 -8.884 18.992 -24.568 1.00 63.04 C ATOM 186 O LEU A 13 -8.567 18.077 -25.329 1.00 55.23 O ATOM 187 CB LEU A 13 -9.471 21.284 -25.381 1.00 21.32 C ATOM 188 CG LEU A 13 -9.663 22.663 -24.750 1.00 11.23 C ATOM 189 CD1 LEU A 13 -8.351 23.433 -24.739 1.00 34.30 C ATOM 190 CD2 LEU A 13 -10.736 23.445 -25.493 1.00 52.14 C ATOM 0 H LEU A 13 -7.234 21.083 -26.402 1.00 35.20 H new ATOM 0 HA LEU A 13 -8.090 20.821 -23.800 1.00 73.11 H new ATOM 0 HB2 LEU A 13 -9.255 21.418 -26.441 1.00 21.32 H new ATOM 0 HB3 LEU A 13 -10.414 20.741 -25.314 1.00 21.32 H new ATOM 0 HG LEU A 13 -9.989 22.527 -23.719 1.00 11.23 H new ATOM 0 HD11 LEU A 13 -8.508 24.412 -24.286 1.00 34.30 H new ATOM 0 HD12 LEU A 13 -7.610 22.880 -24.162 1.00 34.30 H new ATOM 0 HD13 LEU A 13 -7.994 23.559 -25.761 1.00 34.30 H new ATOM 0 HD21 LEU A 13 -10.859 24.424 -25.030 1.00 52.14 H new ATOM 0 HD22 LEU A 13 -10.439 23.571 -26.534 1.00 52.14 H new ATOM 0 HD23 LEU A 13 -11.680 22.901 -25.448 1.00 52.14 H new ATOM 202 N PRO A 14 -9.697 18.800 -23.519 1.00 51.13 N ATOM 203 CA PRO A 14 -10.274 17.492 -23.194 1.00 12.52 C ATOM 204 C PRO A 14 -11.321 17.052 -24.211 1.00 32.51 C ATOM 205 O PRO A 14 -11.790 15.914 -24.180 1.00 10.24 O ATOM 206 CB PRO A 14 -10.921 17.721 -21.825 1.00 60.03 C ATOM 207 CG PRO A 14 -11.212 19.181 -21.783 1.00 52.41 C ATOM 208 CD PRO A 14 -10.116 19.845 -22.570 1.00 54.13 C ATOM 0 HA PRO A 14 -9.523 16.702 -23.199 1.00 12.52 H new ATOM 0 HB2 PRO A 14 -11.832 17.132 -21.714 1.00 60.03 H new ATOM 0 HB3 PRO A 14 -10.251 17.427 -21.017 1.00 60.03 H new ATOM 0 HG2 PRO A 14 -12.189 19.397 -22.216 1.00 52.41 H new ATOM 0 HG3 PRO A 14 -11.231 19.546 -20.756 1.00 52.41 H new ATOM 0 HD2 PRO A 14 -10.475 20.736 -23.086 1.00 54.13 H new ATOM 0 HD3 PRO A 14 -9.293 20.158 -21.928 1.00 54.13 H new ATOM 216 N ALA A 15 -11.683 17.959 -25.112 1.00 31.11 N ATOM 217 CA ALA A 15 -12.673 17.662 -26.140 1.00 1.00 C ATOM 218 C ALA A 15 -12.093 16.747 -27.213 1.00 24.12 C ATOM 219 O ALA A 15 -12.790 15.890 -27.757 1.00 41.01 O ATOM 220 CB ALA A 15 -13.188 18.950 -26.764 1.00 42.45 C ATOM 0 H ALA A 15 -11.305 18.906 -25.151 1.00 31.11 H new ATOM 0 HA ALA A 15 -13.506 17.141 -25.668 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -13.927 18.713 -27.530 1.00 42.45 H new ATOM 0 HB2 ALA A 15 -13.649 19.568 -25.994 1.00 42.45 H new ATOM 0 HB3 ALA A 15 -12.358 19.493 -27.216 1.00 42.45 H new ATOM 226 N THR A 16 -10.811 16.934 -27.514 1.00 72.20 N ATOM 227 CA THR A 16 -10.138 16.127 -28.523 1.00 64.43 C ATOM 228 C THR A 16 -8.736 15.736 -28.069 1.00 60.31 C ATOM 229 O THR A 16 -7.846 15.514 -28.891 1.00 13.23 O ATOM 230 CB THR A 16 -10.040 16.874 -29.867 1.00 30.42 C ATOM 231 OG1 THR A 16 -11.248 17.603 -30.111 1.00 2.14 O ATOM 232 CG2 THR A 16 -9.789 15.901 -31.010 1.00 14.34 C ATOM 0 H THR A 16 -10.219 17.638 -27.073 1.00 72.20 H new ATOM 0 HA THR A 16 -10.738 15.227 -28.659 1.00 64.43 H new ATOM 0 HB THR A 16 -9.202 17.569 -29.812 1.00 30.42 H new ATOM 0 HG1 THR A 16 -11.177 18.076 -30.966 1.00 2.14 H new ATOM 0 HG21 THR A 16 -9.724 16.451 -31.949 1.00 14.34 H new ATOM 0 HG22 THR A 16 -8.854 15.368 -30.836 1.00 14.34 H new ATOM 0 HG23 THR A 16 -10.609 15.185 -31.065 1.00 14.34 H new ATOM 240 N ARG A 17 -8.546 15.652 -26.756 1.00 51.24 N ATOM 241 CA ARG A 17 -7.252 15.288 -26.193 1.00 45.24 C ATOM 242 C ARG A 17 -6.728 14.000 -26.822 1.00 32.13 C ATOM 243 O ARG A 17 -7.493 13.215 -27.383 1.00 30.15 O ATOM 244 CB ARG A 17 -7.360 15.121 -24.677 1.00 0.04 C ATOM 245 CG ARG A 17 -6.256 15.826 -23.906 1.00 24.53 C ATOM 246 CD ARG A 17 -6.796 16.513 -22.662 1.00 10.42 C ATOM 247 NE ARG A 17 -5.759 16.713 -21.653 1.00 13.03 N ATOM 248 CZ ARG A 17 -5.936 17.432 -20.550 1.00 31.23 C ATOM 249 NH1 ARG A 17 -7.103 18.016 -20.315 1.00 30.21 N ATOM 250 NH2 ARG A 17 -4.944 17.567 -19.678 1.00 54.25 N ATOM 0 H ARG A 17 -9.272 15.831 -26.063 1.00 51.24 H new ATOM 0 HA ARG A 17 -6.549 16.092 -26.414 1.00 45.24 H new ATOM 0 HB2 ARG A 17 -8.325 15.505 -24.346 1.00 0.04 H new ATOM 0 HB3 ARG A 17 -7.339 14.058 -24.435 1.00 0.04 H new ATOM 0 HG2 ARG A 17 -5.491 15.103 -23.621 1.00 24.53 H new ATOM 0 HG3 ARG A 17 -5.775 16.562 -24.549 1.00 24.53 H new ATOM 0 HD2 ARG A 17 -7.224 17.477 -22.937 1.00 10.42 H new ATOM 0 HD3 ARG A 17 -7.603 15.915 -22.239 1.00 10.42 H new ATOM 0 HE ARG A 17 -4.849 16.277 -21.803 1.00 13.03 H new ATOM 0 HH11 ARG A 17 -7.868 17.914 -20.982 1.00 30.21 H new ATOM 0 HH12 ARG A 17 -7.236 18.567 -19.467 1.00 30.21 H new ATOM 0 HH21 ARG A 17 -4.045 17.119 -19.855 1.00 54.25 H new ATOM 0 HH22 ARG A 17 -5.081 18.119 -18.831 1.00 54.25 H new ATOM 264 N VAL A 18 -5.419 13.789 -26.724 1.00 54.02 N ATOM 265 CA VAL A 18 -4.793 12.596 -27.282 1.00 55.21 C ATOM 266 C VAL A 18 -3.647 12.114 -26.401 1.00 4.20 C ATOM 267 O VAL A 18 -2.657 12.822 -26.208 1.00 70.04 O ATOM 268 CB VAL A 18 -4.260 12.855 -28.704 1.00 33.12 C ATOM 269 CG1 VAL A 18 -3.760 11.562 -29.330 1.00 5.31 C ATOM 270 CG2 VAL A 18 -5.337 13.493 -29.568 1.00 51.51 C ATOM 0 H VAL A 18 -4.772 14.429 -26.263 1.00 54.02 H new ATOM 0 HA VAL A 18 -5.562 11.825 -27.325 1.00 55.21 H new ATOM 0 HB VAL A 18 -3.421 13.548 -28.639 1.00 33.12 H new ATOM 0 HG11 VAL A 18 -3.387 11.764 -30.334 1.00 5.31 H new ATOM 0 HG12 VAL A 18 -2.956 11.150 -28.721 1.00 5.31 H new ATOM 0 HG13 VAL A 18 -4.578 10.844 -29.385 1.00 5.31 H new ATOM 0 HG21 VAL A 18 -4.943 13.669 -30.569 1.00 51.51 H new ATOM 0 HG22 VAL A 18 -6.197 12.826 -29.628 1.00 51.51 H new ATOM 0 HG23 VAL A 18 -5.643 14.441 -29.127 1.00 51.51 H new ATOM 280 N LEU A 19 -3.785 10.905 -25.868 1.00 53.30 N ATOM 281 CA LEU A 19 -2.760 10.327 -25.007 1.00 21.34 C ATOM 282 C LEU A 19 -1.503 9.994 -25.804 1.00 40.00 C ATOM 283 O LEU A 19 -1.578 9.418 -26.890 1.00 70.50 O ATOM 284 CB LEU A 19 -3.292 9.066 -24.323 1.00 13.23 C ATOM 285 CG LEU A 19 -2.373 8.429 -23.280 1.00 50.10 C ATOM 286 CD1 LEU A 19 -3.172 7.983 -22.065 1.00 40.32 C ATOM 287 CD2 LEU A 19 -1.616 7.255 -23.883 1.00 22.11 C ATOM 0 H LEU A 19 -4.597 10.306 -26.017 1.00 53.30 H new ATOM 0 HA LEU A 19 -2.502 11.064 -24.247 1.00 21.34 H new ATOM 0 HB2 LEU A 19 -4.239 9.310 -23.842 1.00 13.23 H new ATOM 0 HB3 LEU A 19 -3.506 8.323 -25.091 1.00 13.23 H new ATOM 0 HG LEU A 19 -1.648 9.176 -22.958 1.00 50.10 H new ATOM 0 HD11 LEU A 19 -2.501 7.532 -21.334 1.00 40.32 H new ATOM 0 HD12 LEU A 19 -3.668 8.845 -21.619 1.00 40.32 H new ATOM 0 HD13 LEU A 19 -3.920 7.252 -22.370 1.00 40.32 H new ATOM 0 HD21 LEU A 19 -0.967 6.814 -23.127 1.00 22.11 H new ATOM 0 HD22 LEU A 19 -2.326 6.506 -24.234 1.00 22.11 H new ATOM 0 HD23 LEU A 19 -1.012 7.603 -24.721 1.00 22.11 H new ATOM 299 N LEU A 20 -0.348 10.359 -25.258 1.00 34.23 N ATOM 300 CA LEU A 20 0.926 10.097 -25.917 1.00 5.21 C ATOM 301 C LEU A 20 1.375 8.658 -25.684 1.00 33.11 C ATOM 302 O LEU A 20 1.487 7.873 -26.625 1.00 31.54 O ATOM 303 CB LEU A 20 1.995 11.065 -25.406 1.00 42.23 C ATOM 304 CG LEU A 20 1.682 12.554 -25.561 1.00 74.33 C ATOM 305 CD1 LEU A 20 2.619 13.389 -24.703 1.00 60.10 C ATOM 306 CD2 LEU A 20 1.779 12.970 -27.022 1.00 4.24 C ATOM 0 H LEU A 20 -0.268 10.837 -24.361 1.00 34.23 H new ATOM 0 HA LEU A 20 0.790 10.247 -26.988 1.00 5.21 H new ATOM 0 HB2 LEU A 20 2.168 10.859 -24.350 1.00 42.23 H new ATOM 0 HB3 LEU A 20 2.928 10.854 -25.929 1.00 42.23 H new ATOM 0 HG LEU A 20 0.661 12.728 -25.222 1.00 74.33 H new ATOM 0 HD11 LEU A 20 2.381 14.445 -24.827 1.00 60.10 H new ATOM 0 HD12 LEU A 20 2.499 13.110 -23.656 1.00 60.10 H new ATOM 0 HD13 LEU A 20 3.649 13.211 -25.010 1.00 60.10 H new ATOM 0 HD21 LEU A 20 1.553 14.032 -27.114 1.00 4.24 H new ATOM 0 HD22 LEU A 20 2.788 12.781 -27.388 1.00 4.24 H new ATOM 0 HD23 LEU A 20 1.065 12.395 -27.612 1.00 4.24 H new ATOM 318 N MET A 21 1.627 8.319 -24.424 1.00 24.01 N ATOM 319 CA MET A 21 2.060 6.973 -24.067 1.00 71.32 C ATOM 320 C MET A 21 2.260 6.848 -22.560 1.00 64.52 C ATOM 321 O MET A 21 2.518 7.837 -21.874 1.00 62.03 O ATOM 322 CB MET A 21 3.358 6.621 -24.797 1.00 74.30 C ATOM 323 CG MET A 21 3.227 5.425 -25.726 1.00 60.13 C ATOM 324 SD MET A 21 4.822 4.832 -26.323 1.00 73.24 S ATOM 325 CE MET A 21 4.309 3.821 -27.710 1.00 43.14 C ATOM 0 H MET A 21 1.539 8.957 -23.633 1.00 24.01 H new ATOM 0 HA MET A 21 1.280 6.275 -24.371 1.00 71.32 H new ATOM 0 HB2 MET A 21 3.686 7.485 -25.375 1.00 74.30 H new ATOM 0 HB3 MET A 21 4.135 6.416 -24.061 1.00 74.30 H new ATOM 0 HG2 MET A 21 2.716 4.617 -25.202 1.00 60.13 H new ATOM 0 HG3 MET A 21 2.603 5.698 -26.577 1.00 60.13 H new ATOM 0 HE1 MET A 21 5.187 3.383 -28.185 1.00 43.14 H new ATOM 0 HE2 MET A 21 3.652 3.026 -27.357 1.00 43.14 H new ATOM 0 HE3 MET A 21 3.775 4.438 -28.433 1.00 43.14 H new ATOM 335 N TYR A 22 2.140 5.626 -22.051 1.00 51.45 N ATOM 336 CA TYR A 22 2.305 5.373 -20.625 1.00 62.01 C ATOM 337 C TYR A 22 3.775 5.162 -20.276 1.00 63.11 C ATOM 338 O TYR A 22 4.498 4.457 -20.981 1.00 0.31 O ATOM 339 CB TYR A 22 1.489 4.149 -20.205 1.00 40.43 C ATOM 340 CG TYR A 22 -0.006 4.373 -20.252 1.00 4.42 C ATOM 341 CD1 TYR A 22 -0.718 4.197 -21.432 1.00 3.20 C ATOM 342 CD2 TYR A 22 -0.706 4.762 -19.116 1.00 45.14 C ATOM 343 CE1 TYR A 22 -2.083 4.401 -21.480 1.00 12.34 C ATOM 344 CE2 TYR A 22 -2.071 4.967 -19.154 1.00 51.03 C ATOM 345 CZ TYR A 22 -2.755 4.786 -20.338 1.00 74.41 C ATOM 346 OH TYR A 22 -4.116 4.990 -20.380 1.00 45.24 O ATOM 0 H TYR A 22 1.929 4.796 -22.605 1.00 51.45 H new ATOM 0 HA TYR A 22 1.943 6.246 -20.083 1.00 62.01 H new ATOM 0 HB2 TYR A 22 1.743 3.312 -20.856 1.00 40.43 H new ATOM 0 HB3 TYR A 22 1.774 3.863 -19.192 1.00 40.43 H new ATOM 0 HD1 TYR A 22 -0.195 3.895 -22.327 1.00 3.20 H new ATOM 0 HD2 TYR A 22 -0.173 4.906 -18.188 1.00 45.14 H new ATOM 0 HE1 TYR A 22 -2.621 4.260 -22.406 1.00 12.34 H new ATOM 0 HE2 TYR A 22 -2.600 5.267 -18.262 1.00 51.03 H new ATOM 0 HH TYR A 22 -4.434 5.256 -19.492 1.00 45.24 H new ATOM 356 N VAL A 23 4.211 5.778 -19.182 1.00 22.23 N ATOM 357 CA VAL A 23 5.594 5.657 -18.736 1.00 42.11 C ATOM 358 C VAL A 23 5.676 4.973 -17.376 1.00 53.11 C ATOM 359 O VAL A 23 5.332 5.563 -16.352 1.00 35.23 O ATOM 360 CB VAL A 23 6.277 7.035 -18.647 1.00 65.34 C ATOM 361 CG1 VAL A 23 7.721 6.887 -18.190 1.00 74.31 C ATOM 362 CG2 VAL A 23 6.205 7.752 -19.987 1.00 11.12 C ATOM 0 H VAL A 23 3.626 6.366 -18.588 1.00 22.23 H new ATOM 0 HA VAL A 23 6.113 5.049 -19.477 1.00 42.11 H new ATOM 0 HB VAL A 23 5.747 7.637 -17.909 1.00 65.34 H new ATOM 0 HG11 VAL A 23 8.187 7.871 -18.133 1.00 74.31 H new ATOM 0 HG12 VAL A 23 7.745 6.417 -17.207 1.00 74.31 H new ATOM 0 HG13 VAL A 23 8.266 6.268 -18.902 1.00 74.31 H new ATOM 0 HG21 VAL A 23 6.692 8.724 -19.906 1.00 11.12 H new ATOM 0 HG22 VAL A 23 6.710 7.155 -20.747 1.00 11.12 H new ATOM 0 HG23 VAL A 23 5.162 7.892 -20.269 1.00 11.12 H new ATOM 372 N ARG A 24 6.134 3.726 -17.374 1.00 31.42 N ATOM 373 CA ARG A 24 6.260 2.960 -16.139 1.00 43.34 C ATOM 374 C ARG A 24 7.378 3.521 -15.264 1.00 73.53 C ATOM 375 O ARG A 24 8.448 3.875 -15.759 1.00 63.40 O ATOM 376 CB ARG A 24 6.533 1.488 -16.453 1.00 31.13 C ATOM 377 CG ARG A 24 6.466 0.583 -15.233 1.00 42.31 C ATOM 378 CD ARG A 24 6.529 -0.885 -15.624 1.00 40.15 C ATOM 379 NE ARG A 24 7.855 -1.454 -15.401 1.00 62.53 N ATOM 380 CZ ARG A 24 8.235 -2.637 -15.871 1.00 24.51 C ATOM 381 NH1 ARG A 24 7.395 -3.372 -16.586 1.00 53.23 N ATOM 382 NH2 ARG A 24 9.459 -3.088 -15.626 1.00 2.24 N ATOM 0 H ARG A 24 6.424 3.224 -18.213 1.00 31.42 H new ATOM 0 HA ARG A 24 5.320 3.039 -15.593 1.00 43.34 H new ATOM 0 HB2 ARG A 24 5.810 1.142 -17.192 1.00 31.13 H new ATOM 0 HB3 ARG A 24 7.520 1.399 -16.907 1.00 31.13 H new ATOM 0 HG2 ARG A 24 7.290 0.817 -14.559 1.00 42.31 H new ATOM 0 HG3 ARG A 24 5.543 0.776 -14.686 1.00 42.31 H new ATOM 0 HD2 ARG A 24 5.792 -1.445 -15.048 1.00 40.15 H new ATOM 0 HD3 ARG A 24 6.261 -0.992 -16.675 1.00 40.15 H new ATOM 0 HE ARG A 24 8.526 -0.914 -14.855 1.00 62.53 H new ATOM 0 HH11 ARG A 24 6.453 -3.030 -16.777 1.00 53.23 H new ATOM 0 HH12 ARG A 24 7.690 -4.280 -16.945 1.00 53.23 H new ATOM 0 HH21 ARG A 24 10.109 -2.526 -15.076 1.00 2.24 H new ATOM 0 HH22 ARG A 24 9.750 -3.996 -15.987 1.00 2.24 H new ATOM 396 N ILE A 25 7.121 3.598 -13.963 1.00 54.21 N ATOM 397 CA ILE A 25 8.105 4.115 -13.020 1.00 34.41 C ATOM 398 C ILE A 25 9.133 3.048 -12.659 1.00 33.12 C ATOM 399 O ILE A 25 9.310 2.712 -11.489 1.00 12.34 O ATOM 400 CB ILE A 25 7.435 4.624 -11.730 1.00 31.31 C ATOM 401 CG1 ILE A 25 6.224 5.496 -12.068 1.00 32.42 C ATOM 402 CG2 ILE A 25 8.434 5.400 -10.885 1.00 41.02 C ATOM 403 CD1 ILE A 25 5.495 6.015 -10.849 1.00 15.42 C ATOM 0 H ILE A 25 6.240 3.309 -13.538 1.00 54.21 H new ATOM 0 HA ILE A 25 8.607 4.948 -13.512 1.00 34.41 H new ATOM 0 HB ILE A 25 7.091 3.765 -11.154 1.00 31.31 H new ATOM 0 HG12 ILE A 25 6.553 6.342 -12.672 1.00 32.42 H new ATOM 0 HG13 ILE A 25 5.530 4.919 -12.678 1.00 32.42 H new ATOM 0 HG21 ILE A 25 7.946 5.753 -9.977 1.00 41.02 H new ATOM 0 HG22 ILE A 25 9.268 4.750 -10.619 1.00 41.02 H new ATOM 0 HG23 ILE A 25 8.805 6.253 -11.453 1.00 41.02 H new ATOM 0 HD11 ILE A 25 4.648 6.625 -11.164 1.00 15.42 H new ATOM 0 HD12 ILE A 25 5.136 5.175 -10.255 1.00 15.42 H new ATOM 0 HD13 ILE A 25 6.175 6.620 -10.249 1.00 15.42 H new ATOM 415 N GLY A 26 9.810 2.519 -13.673 1.00 63.04 N ATOM 416 CA GLY A 26 10.814 1.497 -13.442 1.00 61.33 C ATOM 417 C GLY A 26 12.146 1.837 -14.081 1.00 10.20 C ATOM 418 O GLY A 26 13.204 1.495 -13.551 1.00 14.23 O ATOM 0 H GLY A 26 9.681 2.780 -14.651 1.00 63.04 H new ATOM 0 HA2 GLY A 26 10.953 1.364 -12.369 1.00 61.33 H new ATOM 0 HA3 GLY A 26 10.457 0.546 -13.837 1.00 61.33 H new ATOM 422 N THR A 27 12.097 2.512 -15.225 1.00 54.23 N ATOM 423 CA THR A 27 13.308 2.897 -15.939 1.00 31.52 C ATOM 424 C THR A 27 13.108 4.204 -16.697 1.00 21.20 C ATOM 425 O THR A 27 12.000 4.739 -16.752 1.00 4.31 O ATOM 426 CB THR A 27 13.747 1.803 -16.931 1.00 35.21 C ATOM 427 OG1 THR A 27 15.044 2.108 -17.455 1.00 14.31 O ATOM 428 CG2 THR A 27 12.749 1.677 -18.073 1.00 25.42 C ATOM 0 H THR A 27 11.231 2.804 -15.677 1.00 54.23 H new ATOM 0 HA THR A 27 14.088 3.031 -15.189 1.00 31.52 H new ATOM 0 HB THR A 27 13.786 0.854 -16.397 1.00 35.21 H new ATOM 0 HG1 THR A 27 15.316 1.407 -18.083 1.00 14.31 H new ATOM 0 HG21 THR A 27 13.080 0.899 -18.761 1.00 25.42 H new ATOM 0 HG22 THR A 27 11.769 1.416 -17.673 1.00 25.42 H new ATOM 0 HG23 THR A 27 12.682 2.626 -18.604 1.00 25.42 H new ATOM 436 N THR A 28 14.187 4.714 -17.282 1.00 42.22 N ATOM 437 CA THR A 28 14.130 5.959 -18.037 1.00 43.53 C ATOM 438 C THR A 28 13.979 5.691 -19.530 1.00 62.22 C ATOM 439 O THR A 28 14.782 4.973 -20.126 1.00 32.34 O ATOM 440 CB THR A 28 15.390 6.815 -17.806 1.00 65.41 C ATOM 441 OG1 THR A 28 16.564 6.043 -18.085 1.00 21.15 O ATOM 442 CG2 THR A 28 15.442 7.327 -16.375 1.00 32.34 C ATOM 0 H THR A 28 15.111 4.284 -17.247 1.00 42.22 H new ATOM 0 HA THR A 28 13.258 6.505 -17.679 1.00 43.53 H new ATOM 0 HB THR A 28 15.349 7.671 -18.480 1.00 65.41 H new ATOM 0 HG1 THR A 28 16.355 5.361 -18.757 1.00 21.15 H new ATOM 0 HG21 THR A 28 16.340 7.929 -16.236 1.00 32.34 H new ATOM 0 HG22 THR A 28 14.562 7.938 -16.175 1.00 32.34 H new ATOM 0 HG23 THR A 28 15.461 6.482 -15.687 1.00 32.34 H new ATOM 450 N ALA A 29 12.946 6.273 -20.130 1.00 34.33 N ATOM 451 CA ALA A 29 12.691 6.098 -21.554 1.00 63.03 C ATOM 452 C ALA A 29 12.403 7.435 -22.228 1.00 72.05 C ATOM 453 O ALA A 29 12.303 8.468 -21.566 1.00 2.22 O ATOM 454 CB ALA A 29 11.533 5.135 -21.769 1.00 52.44 C ATOM 0 H ALA A 29 12.272 6.870 -19.651 1.00 34.33 H new ATOM 0 HA ALA A 29 13.587 5.677 -22.009 1.00 63.03 H new ATOM 0 HB1 ALA A 29 11.354 5.014 -22.837 1.00 52.44 H new ATOM 0 HB2 ALA A 29 11.778 4.168 -21.330 1.00 52.44 H new ATOM 0 HB3 ALA A 29 10.636 5.532 -21.294 1.00 52.44 H new ATOM 460 N THR A 30 12.270 7.409 -23.551 1.00 41.21 N ATOM 461 CA THR A 30 11.995 8.619 -24.315 1.00 41.33 C ATOM 462 C THR A 30 10.693 8.492 -25.098 1.00 30.54 C ATOM 463 O THR A 30 10.334 7.404 -25.550 1.00 63.03 O ATOM 464 CB THR A 30 13.140 8.937 -25.295 1.00 43.41 C ATOM 465 OG1 THR A 30 14.267 8.098 -25.021 1.00 23.24 O ATOM 466 CG2 THR A 30 13.552 10.398 -25.190 1.00 41.13 C ATOM 0 H THR A 30 12.348 6.563 -24.115 1.00 41.21 H new ATOM 0 HA THR A 30 11.905 9.433 -23.595 1.00 41.33 H new ATOM 0 HB THR A 30 12.785 8.748 -26.308 1.00 43.41 H new ATOM 0 HG1 THR A 30 14.990 8.305 -25.650 1.00 23.24 H new ATOM 0 HG21 THR A 30 14.362 10.599 -25.891 1.00 41.13 H new ATOM 0 HG22 THR A 30 12.700 11.034 -25.428 1.00 41.13 H new ATOM 0 HG23 THR A 30 13.890 10.609 -24.175 1.00 41.13 H new ATOM 474 N ILE A 31 9.990 9.608 -25.254 1.00 11.15 N ATOM 475 CA ILE A 31 8.728 9.620 -25.983 1.00 41.22 C ATOM 476 C ILE A 31 8.828 10.477 -27.241 1.00 25.13 C ATOM 477 O ILE A 31 9.500 11.509 -27.251 1.00 24.00 O ATOM 478 CB ILE A 31 7.576 10.147 -25.107 1.00 42.02 C ATOM 479 CG1 ILE A 31 7.425 9.285 -23.852 1.00 62.23 C ATOM 480 CG2 ILE A 31 6.277 10.172 -25.899 1.00 23.40 C ATOM 481 CD1 ILE A 31 7.243 10.090 -22.585 1.00 30.44 C ATOM 0 H ILE A 31 10.273 10.516 -24.885 1.00 11.15 H new ATOM 0 HA ILE A 31 8.517 8.588 -26.264 1.00 41.22 H new ATOM 0 HB ILE A 31 7.810 11.166 -24.799 1.00 42.02 H new ATOM 0 HG12 ILE A 31 6.569 8.622 -23.977 1.00 62.23 H new ATOM 0 HG13 ILE A 31 8.306 8.652 -23.747 1.00 62.23 H new ATOM 0 HG21 ILE A 31 5.472 10.547 -25.266 1.00 23.40 H new ATOM 0 HG22 ILE A 31 6.391 10.824 -26.765 1.00 23.40 H new ATOM 0 HG23 ILE A 31 6.035 9.163 -26.234 1.00 23.40 H new ATOM 0 HD11 ILE A 31 7.142 9.414 -21.736 1.00 30.44 H new ATOM 0 HD12 ILE A 31 8.110 10.734 -22.436 1.00 30.44 H new ATOM 0 HD13 ILE A 31 6.346 10.703 -22.669 1.00 30.44 H new ATOM 493 N THR A 32 8.154 10.043 -28.301 1.00 40.32 N ATOM 494 CA THR A 32 8.166 10.770 -29.564 1.00 41.13 C ATOM 495 C THR A 32 6.822 11.439 -29.827 1.00 12.35 C ATOM 496 O THR A 32 5.791 10.772 -29.904 1.00 54.35 O ATOM 497 CB THR A 32 8.502 9.840 -30.745 1.00 25.52 C ATOM 498 OG1 THR A 32 9.098 8.630 -30.261 1.00 55.22 O ATOM 499 CG2 THR A 32 9.450 10.523 -31.719 1.00 61.53 C ATOM 0 H THR A 32 7.593 9.191 -28.310 1.00 40.32 H new ATOM 0 HA THR A 32 8.939 11.534 -29.480 1.00 41.13 H new ATOM 0 HB THR A 32 7.576 9.605 -31.269 1.00 25.52 H new ATOM 0 HG1 THR A 32 9.307 8.043 -31.017 1.00 55.22 H new ATOM 0 HG21 THR A 32 9.673 9.847 -32.544 1.00 61.53 H new ATOM 0 HG22 THR A 32 8.983 11.428 -32.107 1.00 61.53 H new ATOM 0 HG23 THR A 32 10.375 10.784 -31.204 1.00 61.53 H new ATOM 507 N ALA A 33 6.841 12.761 -29.962 1.00 54.24 N ATOM 508 CA ALA A 33 5.623 13.520 -30.219 1.00 12.12 C ATOM 509 C ALA A 33 5.909 14.739 -31.090 1.00 75.40 C ATOM 510 O ALA A 33 6.858 15.482 -30.842 1.00 13.24 O ATOM 511 CB ALA A 33 4.980 13.946 -28.907 1.00 62.20 C ATOM 0 H ALA A 33 7.686 13.328 -29.898 1.00 54.24 H new ATOM 0 HA ALA A 33 4.930 12.875 -30.759 1.00 12.12 H new ATOM 0 HB1 ALA A 33 4.072 14.512 -29.114 1.00 62.20 H new ATOM 0 HB2 ALA A 33 4.731 13.062 -28.320 1.00 62.20 H new ATOM 0 HB3 ALA A 33 5.676 14.570 -28.346 1.00 62.20 H new ATOM 517 N ARG A 34 5.082 14.937 -32.112 1.00 20.42 N ATOM 518 CA ARG A 34 5.248 16.064 -33.021 1.00 13.20 C ATOM 519 C ARG A 34 6.660 16.094 -33.599 1.00 33.04 C ATOM 520 O ARG A 34 7.240 17.161 -33.792 1.00 11.41 O ATOM 521 CB ARG A 34 4.954 17.379 -32.296 1.00 31.21 C ATOM 522 CG ARG A 34 3.528 17.485 -31.781 1.00 53.13 C ATOM 523 CD ARG A 34 3.260 18.847 -31.160 1.00 74.11 C ATOM 524 NE ARG A 34 1.847 19.212 -31.230 1.00 22.23 N ATOM 525 CZ ARG A 34 1.226 19.534 -32.359 1.00 21.11 C ATOM 526 NH1 ARG A 34 1.889 19.536 -33.507 1.00 24.11 N ATOM 527 NH2 ARG A 34 -0.061 19.854 -32.341 1.00 54.52 N ATOM 0 H ARG A 34 4.291 14.332 -32.331 1.00 20.42 H new ATOM 0 HA ARG A 34 4.541 15.943 -33.842 1.00 13.20 H new ATOM 0 HB2 ARG A 34 5.643 17.484 -31.458 1.00 31.21 H new ATOM 0 HB3 ARG A 34 5.149 18.210 -32.974 1.00 31.21 H new ATOM 0 HG2 ARG A 34 2.830 17.314 -32.601 1.00 53.13 H new ATOM 0 HG3 ARG A 34 3.348 16.705 -31.041 1.00 53.13 H new ATOM 0 HD2 ARG A 34 3.581 18.840 -30.119 1.00 74.11 H new ATOM 0 HD3 ARG A 34 3.855 19.603 -31.672 1.00 74.11 H new ATOM 0 HE ARG A 34 1.308 19.220 -30.364 1.00 22.23 H new ATOM 0 HH11 ARG A 34 2.879 19.290 -33.525 1.00 24.11 H new ATOM 0 HH12 ARG A 34 1.409 19.784 -34.372 1.00 24.11 H new ATOM 0 HH21 ARG A 34 -0.575 19.853 -31.460 1.00 54.52 H new ATOM 0 HH22 ARG A 34 -0.537 20.101 -33.208 1.00 54.52 H new ATOM 541 N GLY A 35 7.207 14.913 -33.872 1.00 0.33 N ATOM 542 CA GLY A 35 8.546 14.826 -34.424 1.00 4.54 C ATOM 543 C GLY A 35 9.608 15.284 -33.443 1.00 42.24 C ATOM 544 O GLY A 35 10.722 15.629 -33.840 1.00 11.44 O ATOM 0 H GLY A 35 6.747 14.015 -33.721 1.00 0.33 H new ATOM 0 HA2 GLY A 35 8.748 13.796 -34.719 1.00 4.54 H new ATOM 0 HA3 GLY A 35 8.604 15.433 -35.327 1.00 4.54 H new ATOM 548 N HIS A 36 9.264 15.289 -32.160 1.00 14.04 N ATOM 549 CA HIS A 36 10.196 15.709 -31.119 1.00 53.24 C ATOM 550 C HIS A 36 10.414 14.593 -30.102 1.00 41.13 C ATOM 551 O HIS A 36 9.494 13.839 -29.788 1.00 12.32 O ATOM 552 CB HIS A 36 9.675 16.962 -30.415 1.00 5.52 C ATOM 553 CG HIS A 36 10.261 18.235 -30.946 1.00 21.35 C ATOM 554 ND1 HIS A 36 9.495 19.254 -31.471 1.00 3.25 N ATOM 555 CD2 HIS A 36 11.547 18.651 -31.029 1.00 35.53 C ATOM 556 CE1 HIS A 36 10.284 20.241 -31.855 1.00 45.33 C ATOM 557 NE2 HIS A 36 11.534 19.900 -31.598 1.00 2.23 N ATOM 0 H HIS A 36 8.346 15.007 -31.815 1.00 14.04 H new ATOM 0 HA HIS A 36 11.151 15.937 -31.591 1.00 53.24 H new ATOM 0 HB2 HIS A 36 8.590 17.001 -30.516 1.00 5.52 H new ATOM 0 HB3 HIS A 36 9.893 16.888 -29.350 1.00 5.52 H new ATOM 0 HD2 HIS A 36 12.420 18.102 -30.707 1.00 35.53 H new ATOM 0 HE1 HIS A 36 9.962 21.169 -32.303 1.00 45.33 H new ATOM 0 HE2 HIS A 36 12.356 20.472 -31.791 1.00 2.23 H new ATOM 565 N GLU A 37 11.638 14.494 -29.593 1.00 41.10 N ATOM 566 CA GLU A 37 11.976 13.469 -28.613 1.00 62.41 C ATOM 567 C GLU A 37 12.018 14.055 -27.205 1.00 20.43 C ATOM 568 O GLU A 37 12.772 14.988 -26.931 1.00 2.51 O ATOM 569 CB GLU A 37 13.326 12.832 -28.953 1.00 13.32 C ATOM 570 CG GLU A 37 13.324 12.066 -30.265 1.00 3.21 C ATOM 571 CD GLU A 37 14.387 10.985 -30.310 1.00 75.03 C ATOM 572 OE1 GLU A 37 15.558 11.291 -30.006 1.00 64.42 O ATOM 573 OE2 GLU A 37 14.045 9.833 -30.650 1.00 20.40 O ATOM 0 H GLU A 37 12.411 15.111 -29.843 1.00 41.10 H new ATOM 0 HA GLU A 37 11.202 12.702 -28.646 1.00 62.41 H new ATOM 0 HB2 GLU A 37 14.085 13.613 -28.999 1.00 13.32 H new ATOM 0 HB3 GLU A 37 13.612 12.156 -28.148 1.00 13.32 H new ATOM 0 HG2 GLU A 37 12.344 11.613 -30.416 1.00 3.21 H new ATOM 0 HG3 GLU A 37 13.484 12.762 -31.088 1.00 3.21 H new ATOM 580 N PHE A 38 11.202 13.500 -26.315 1.00 33.31 N ATOM 581 CA PHE A 38 11.143 13.968 -24.935 1.00 24.51 C ATOM 582 C PHE A 38 11.679 12.907 -23.978 1.00 21.40 C ATOM 583 O PHE A 38 11.166 11.789 -23.924 1.00 43.42 O ATOM 584 CB PHE A 38 9.706 14.331 -24.558 1.00 11.52 C ATOM 585 CG PHE A 38 9.106 15.392 -25.436 1.00 10.11 C ATOM 586 CD1 PHE A 38 9.722 16.625 -25.575 1.00 45.13 C ATOM 587 CD2 PHE A 38 7.925 15.156 -26.121 1.00 42.35 C ATOM 588 CE1 PHE A 38 9.173 17.603 -26.383 1.00 3.31 C ATOM 589 CE2 PHE A 38 7.372 16.130 -26.931 1.00 14.43 C ATOM 590 CZ PHE A 38 7.996 17.356 -27.061 1.00 33.24 C ATOM 0 H PHE A 38 10.572 12.725 -26.525 1.00 33.31 H new ATOM 0 HA PHE A 38 11.768 14.857 -24.852 1.00 24.51 H new ATOM 0 HB2 PHE A 38 9.088 13.435 -24.610 1.00 11.52 H new ATOM 0 HB3 PHE A 38 9.685 14.673 -23.523 1.00 11.52 H new ATOM 0 HD1 PHE A 38 10.642 16.825 -25.046 1.00 45.13 H new ATOM 0 HD2 PHE A 38 7.431 14.201 -26.021 1.00 42.35 H new ATOM 0 HE1 PHE A 38 9.664 18.559 -26.484 1.00 3.31 H new ATOM 0 HE2 PHE A 38 6.453 15.933 -27.462 1.00 14.43 H new ATOM 0 HZ PHE A 38 7.564 18.119 -27.691 1.00 33.24 H new ATOM 600 N GLU A 39 12.714 13.266 -23.225 1.00 64.32 N ATOM 601 CA GLU A 39 13.321 12.344 -22.271 1.00 54.24 C ATOM 602 C GLU A 39 12.956 12.726 -20.839 1.00 65.15 C ATOM 603 O GLU A 39 13.539 13.644 -20.262 1.00 42.05 O ATOM 604 CB GLU A 39 14.842 12.332 -22.437 1.00 33.05 C ATOM 605 CG GLU A 39 15.489 11.023 -22.017 1.00 70.10 C ATOM 606 CD GLU A 39 16.827 10.791 -22.691 1.00 43.42 C ATOM 607 OE1 GLU A 39 17.584 11.771 -22.859 1.00 55.13 O ATOM 608 OE2 GLU A 39 17.118 9.632 -23.051 1.00 24.31 O ATOM 0 H GLU A 39 13.150 14.188 -23.257 1.00 64.32 H new ATOM 0 HA GLU A 39 12.934 11.345 -22.472 1.00 54.24 H new ATOM 0 HB2 GLU A 39 15.087 12.530 -23.480 1.00 33.05 H new ATOM 0 HB3 GLU A 39 15.270 13.144 -21.849 1.00 33.05 H new ATOM 0 HG2 GLU A 39 15.626 11.020 -20.936 1.00 70.10 H new ATOM 0 HG3 GLU A 39 14.818 10.198 -22.256 1.00 70.10 H new ATOM 615 N VAL A 40 11.988 12.014 -20.272 1.00 12.33 N ATOM 616 CA VAL A 40 11.545 12.277 -18.908 1.00 23.04 C ATOM 617 C VAL A 40 12.112 11.246 -17.938 1.00 3.32 C ATOM 618 O VAL A 40 12.724 10.262 -18.351 1.00 60.03 O ATOM 619 CB VAL A 40 10.008 12.271 -18.805 1.00 45.21 C ATOM 620 CG1 VAL A 40 9.415 13.415 -19.613 1.00 11.32 C ATOM 621 CG2 VAL A 40 9.449 10.934 -19.268 1.00 1.40 C ATOM 0 H VAL A 40 11.495 11.251 -20.736 1.00 12.33 H new ATOM 0 HA VAL A 40 11.915 13.267 -18.641 1.00 23.04 H new ATOM 0 HB VAL A 40 9.730 12.413 -17.761 1.00 45.21 H new ATOM 0 HG11 VAL A 40 8.328 13.395 -19.529 1.00 11.32 H new ATOM 0 HG12 VAL A 40 9.791 14.364 -19.231 1.00 11.32 H new ATOM 0 HG13 VAL A 40 9.700 13.307 -20.660 1.00 11.32 H new ATOM 0 HG21 VAL A 40 8.362 10.947 -19.189 1.00 1.40 H new ATOM 0 HG22 VAL A 40 9.735 10.760 -20.305 1.00 1.40 H new ATOM 0 HG23 VAL A 40 9.849 10.136 -18.642 1.00 1.40 H new ATOM 631 N GLU A 41 11.904 11.480 -16.646 1.00 31.12 N ATOM 632 CA GLU A 41 12.395 10.571 -15.617 1.00 21.21 C ATOM 633 C GLU A 41 11.305 10.267 -14.593 1.00 52.43 C ATOM 634 O GLU A 41 10.723 11.177 -14.002 1.00 64.31 O ATOM 635 CB GLU A 41 13.616 11.171 -14.916 1.00 33.44 C ATOM 636 CG GLU A 41 14.133 10.325 -13.764 1.00 73.21 C ATOM 637 CD GLU A 41 15.249 11.005 -12.996 1.00 63.01 C ATOM 638 OE1 GLU A 41 14.945 11.878 -12.157 1.00 13.23 O ATOM 639 OE2 GLU A 41 16.427 10.665 -13.234 1.00 72.32 O ATOM 0 H GLU A 41 11.399 12.291 -16.287 1.00 31.12 H new ATOM 0 HA GLU A 41 12.684 9.638 -16.101 1.00 21.21 H new ATOM 0 HB2 GLU A 41 14.415 11.303 -15.646 1.00 33.44 H new ATOM 0 HB3 GLU A 41 13.359 12.162 -14.541 1.00 33.44 H new ATOM 0 HG2 GLU A 41 13.311 10.104 -13.083 1.00 73.21 H new ATOM 0 HG3 GLU A 41 14.492 9.371 -14.151 1.00 73.21 H new ATOM 646 N ALA A 42 11.033 8.982 -14.390 1.00 41.44 N ATOM 647 CA ALA A 42 10.014 8.558 -13.438 1.00 43.21 C ATOM 648 C ALA A 42 10.643 8.130 -12.116 1.00 53.32 C ATOM 649 O ALA A 42 11.441 7.194 -12.070 1.00 74.32 O ATOM 650 CB ALA A 42 9.185 7.424 -14.022 1.00 64.13 C ATOM 0 H ALA A 42 11.504 8.217 -14.872 1.00 41.44 H new ATOM 0 HA ALA A 42 9.360 9.407 -13.241 1.00 43.21 H new ATOM 0 HB1 ALA A 42 8.428 7.118 -13.300 1.00 64.13 H new ATOM 0 HB2 ALA A 42 8.698 7.763 -14.937 1.00 64.13 H new ATOM 0 HB3 ALA A 42 9.834 6.578 -14.248 1.00 64.13 H new ATOM 656 N LYS A 43 10.279 8.823 -11.042 1.00 71.40 N ATOM 657 CA LYS A 43 10.806 8.515 -9.718 1.00 21.41 C ATOM 658 C LYS A 43 9.693 8.051 -8.783 1.00 62.15 C ATOM 659 O LYS A 43 9.940 7.321 -7.823 1.00 1.41 O ATOM 660 CB LYS A 43 11.505 9.741 -9.127 1.00 10.02 C ATOM 661 CG LYS A 43 12.952 9.887 -9.565 1.00 30.41 C ATOM 662 CD LYS A 43 13.817 10.455 -8.453 1.00 11.25 C ATOM 663 CE LYS A 43 14.378 11.819 -8.825 1.00 23.13 C ATOM 664 NZ LYS A 43 14.356 12.761 -7.672 1.00 53.51 N ATOM 0 H LYS A 43 9.621 9.602 -11.063 1.00 71.40 H new ATOM 0 HA LYS A 43 11.530 7.706 -9.822 1.00 21.41 H new ATOM 0 HB2 LYS A 43 10.955 10.637 -9.416 1.00 10.02 H new ATOM 0 HB3 LYS A 43 11.468 9.681 -8.039 1.00 10.02 H new ATOM 0 HG2 LYS A 43 13.341 8.915 -9.869 1.00 30.41 H new ATOM 0 HG3 LYS A 43 13.005 10.539 -10.437 1.00 30.41 H new ATOM 0 HD2 LYS A 43 13.228 10.539 -7.540 1.00 11.25 H new ATOM 0 HD3 LYS A 43 14.637 9.769 -8.242 1.00 11.25 H new ATOM 0 HE2 LYS A 43 15.402 11.706 -9.182 1.00 23.13 H new ATOM 0 HE3 LYS A 43 13.798 12.238 -9.647 1.00 23.13 H new ATOM 0 HZ1 LYS A 43 14.746 13.679 -7.966 1.00 53.51 H new ATOM 0 HZ2 LYS A 43 13.376 12.889 -7.347 1.00 53.51 H new ATOM 0 HZ3 LYS A 43 14.930 12.373 -6.896 1.00 53.51 H new ATOM 678 N ASP A 44 8.469 8.477 -9.072 1.00 53.41 N ATOM 679 CA ASP A 44 7.317 8.104 -8.259 1.00 24.52 C ATOM 680 C ASP A 44 6.038 8.724 -8.811 1.00 33.12 C ATOM 681 O ASP A 44 6.053 9.374 -9.856 1.00 2.04 O ATOM 682 CB ASP A 44 7.527 8.541 -6.808 1.00 52.54 C ATOM 683 CG ASP A 44 8.035 9.966 -6.701 1.00 62.33 C ATOM 684 OD1 ASP A 44 7.704 10.782 -7.586 1.00 50.45 O ATOM 685 OD2 ASP A 44 8.763 10.264 -5.732 1.00 24.10 O ATOM 0 H ASP A 44 8.248 9.081 -9.864 1.00 53.41 H new ATOM 0 HA ASP A 44 7.216 7.019 -8.292 1.00 24.52 H new ATOM 0 HB2 ASP A 44 6.586 8.452 -6.265 1.00 52.54 H new ATOM 0 HB3 ASP A 44 8.237 7.868 -6.328 1.00 52.54 H new ATOM 690 N GLN A 45 4.932 8.517 -8.102 1.00 44.22 N ATOM 691 CA GLN A 45 3.644 9.055 -8.523 1.00 41.00 C ATOM 692 C GLN A 45 3.743 10.551 -8.801 1.00 44.30 C ATOM 693 O GLN A 45 3.022 11.085 -9.643 1.00 4.13 O ATOM 694 CB GLN A 45 2.584 8.793 -7.452 1.00 72.52 C ATOM 695 CG GLN A 45 2.990 9.264 -6.065 1.00 50.13 C ATOM 696 CD GLN A 45 3.121 8.123 -5.076 1.00 34.11 C ATOM 697 OE1 GLN A 45 3.734 7.097 -5.371 1.00 71.14 O ATOM 698 NE2 GLN A 45 2.543 8.296 -3.893 1.00 23.04 N ATOM 0 H GLN A 45 4.903 7.981 -7.235 1.00 44.22 H new ATOM 0 HA GLN A 45 3.352 8.551 -9.445 1.00 41.00 H new ATOM 0 HB2 GLN A 45 1.658 9.292 -7.739 1.00 72.52 H new ATOM 0 HB3 GLN A 45 2.372 7.724 -7.416 1.00 72.52 H new ATOM 0 HG2 GLN A 45 3.940 9.795 -6.129 1.00 50.13 H new ATOM 0 HG3 GLN A 45 2.251 9.976 -5.697 1.00 50.13 H new ATOM 0 HE21 GLN A 45 2.045 9.163 -3.691 1.00 23.04 H new ATOM 0 HE22 GLN A 45 2.597 7.562 -3.187 1.00 23.04 H new ATOM 707 N ASN A 46 4.642 11.222 -8.087 1.00 54.53 N ATOM 708 CA ASN A 46 4.835 12.658 -8.257 1.00 15.12 C ATOM 709 C ASN A 46 5.674 12.952 -9.496 1.00 61.54 C ATOM 710 O ASN A 46 6.886 13.151 -9.406 1.00 52.42 O ATOM 711 CB ASN A 46 5.508 13.253 -7.018 1.00 70.15 C ATOM 712 CG ASN A 46 4.669 13.084 -5.767 1.00 31.24 C ATOM 713 OD1 ASN A 46 3.463 12.845 -5.841 1.00 45.34 O ATOM 714 ND2 ASN A 46 5.305 13.207 -4.607 1.00 53.43 N ATOM 0 H ASN A 46 5.248 10.795 -7.386 1.00 54.53 H new ATOM 0 HA ASN A 46 3.855 13.118 -8.387 1.00 15.12 H new ATOM 0 HB2 ASN A 46 6.477 12.776 -6.870 1.00 70.15 H new ATOM 0 HB3 ASN A 46 5.697 14.313 -7.185 1.00 70.15 H new ATOM 0 HD21 ASN A 46 4.793 13.103 -3.731 1.00 53.43 H new ATOM 0 HD22 ASN A 46 6.305 13.405 -4.592 1.00 53.43 H new ATOM 721 N CYS A 47 5.022 12.976 -10.654 1.00 13.42 N ATOM 722 CA CYS A 47 5.706 13.245 -11.912 1.00 43.55 C ATOM 723 C CYS A 47 5.393 14.653 -12.412 1.00 74.23 C ATOM 724 O CYS A 47 4.243 15.093 -12.383 1.00 20.34 O ATOM 725 CB CYS A 47 5.301 12.215 -12.968 1.00 54.22 C ATOM 726 SG CYS A 47 6.077 10.582 -12.750 1.00 33.43 S ATOM 0 H CYS A 47 4.020 12.812 -10.746 1.00 13.42 H new ATOM 0 HA CYS A 47 6.779 13.171 -11.736 1.00 43.55 H new ATOM 0 HB2 CYS A 47 4.218 12.096 -12.947 1.00 54.22 H new ATOM 0 HB3 CYS A 47 5.561 12.600 -13.954 1.00 54.22 H new ATOM 731 N LYS A 48 6.423 15.355 -12.872 1.00 30.32 N ATOM 732 CA LYS A 48 6.259 16.711 -13.380 1.00 43.51 C ATOM 733 C LYS A 48 6.960 16.877 -14.725 1.00 33.11 C ATOM 734 O LYS A 48 8.049 16.345 -14.938 1.00 45.32 O ATOM 735 CB LYS A 48 6.814 17.725 -12.376 1.00 70.41 C ATOM 736 CG LYS A 48 8.331 17.732 -12.295 1.00 14.14 C ATOM 737 CD LYS A 48 8.822 18.558 -11.118 1.00 13.43 C ATOM 738 CE LYS A 48 9.143 17.682 -9.917 1.00 21.11 C ATOM 739 NZ LYS A 48 10.042 18.372 -8.951 1.00 44.22 N ATOM 0 H LYS A 48 7.381 15.006 -12.903 1.00 30.32 H new ATOM 0 HA LYS A 48 5.193 16.893 -13.520 1.00 43.51 H new ATOM 0 HB2 LYS A 48 6.468 18.722 -12.650 1.00 70.41 H new ATOM 0 HB3 LYS A 48 6.407 17.507 -11.389 1.00 70.41 H new ATOM 0 HG2 LYS A 48 8.696 16.709 -12.201 1.00 14.14 H new ATOM 0 HG3 LYS A 48 8.744 18.134 -13.220 1.00 14.14 H new ATOM 0 HD2 LYS A 48 9.711 19.117 -11.410 1.00 13.43 H new ATOM 0 HD3 LYS A 48 8.062 19.289 -10.843 1.00 13.43 H new ATOM 0 HE2 LYS A 48 8.217 17.401 -9.415 1.00 21.11 H new ATOM 0 HE3 LYS A 48 9.614 16.759 -10.256 1.00 21.11 H new ATOM 0 HZ1 LYS A 48 10.237 17.742 -8.147 1.00 44.22 H new ATOM 0 HZ2 LYS A 48 10.936 18.618 -9.423 1.00 44.22 H new ATOM 0 HZ3 LYS A 48 9.582 19.239 -8.608 1.00 44.22 H new ATOM 753 N VAL A 49 6.328 17.619 -15.629 1.00 74.51 N ATOM 754 CA VAL A 49 6.892 17.856 -16.952 1.00 53.14 C ATOM 755 C VAL A 49 8.324 18.369 -16.855 1.00 50.23 C ATOM 756 O VAL A 49 8.555 19.539 -16.547 1.00 24.43 O ATOM 757 CB VAL A 49 6.048 18.869 -17.749 1.00 11.45 C ATOM 758 CG1 VAL A 49 4.768 18.220 -18.253 1.00 24.42 C ATOM 759 CG2 VAL A 49 5.735 20.089 -16.895 1.00 5.11 C ATOM 0 H VAL A 49 5.425 18.066 -15.469 1.00 74.51 H new ATOM 0 HA VAL A 49 6.887 16.899 -17.474 1.00 53.14 H new ATOM 0 HB VAL A 49 6.626 19.196 -18.614 1.00 11.45 H new ATOM 0 HG11 VAL A 49 4.186 18.951 -18.813 1.00 24.42 H new ATOM 0 HG12 VAL A 49 5.017 17.380 -18.902 1.00 24.42 H new ATOM 0 HG13 VAL A 49 4.183 17.863 -17.405 1.00 24.42 H new ATOM 0 HG21 VAL A 49 5.138 20.794 -17.473 1.00 5.11 H new ATOM 0 HG22 VAL A 49 5.177 19.781 -16.011 1.00 5.11 H new ATOM 0 HG23 VAL A 49 6.665 20.567 -16.588 1.00 5.11 H new ATOM 769 N ILE A 50 9.282 17.487 -17.121 1.00 53.52 N ATOM 770 CA ILE A 50 10.692 17.852 -17.065 1.00 51.03 C ATOM 771 C ILE A 50 11.528 16.955 -17.972 1.00 52.44 C ATOM 772 O ILE A 50 11.238 15.768 -18.128 1.00 40.44 O ATOM 773 CB ILE A 50 11.240 17.763 -15.629 1.00 13.53 C ATOM 774 CG1 ILE A 50 12.656 18.340 -15.563 1.00 75.01 C ATOM 775 CG2 ILE A 50 11.226 16.321 -15.145 1.00 3.23 C ATOM 776 CD1 ILE A 50 13.109 18.670 -14.158 1.00 51.33 C ATOM 0 H ILE A 50 9.107 16.515 -17.377 1.00 53.52 H new ATOM 0 HA ILE A 50 10.765 18.883 -17.410 1.00 51.03 H new ATOM 0 HB ILE A 50 10.598 18.351 -14.974 1.00 13.53 H new ATOM 0 HG12 ILE A 50 13.352 17.625 -16.002 1.00 75.01 H new ATOM 0 HG13 ILE A 50 12.700 19.243 -16.172 1.00 75.01 H new ATOM 0 HG21 ILE A 50 11.616 16.275 -14.128 1.00 3.23 H new ATOM 0 HG22 ILE A 50 10.204 15.942 -15.159 1.00 3.23 H new ATOM 0 HG23 ILE A 50 11.848 15.711 -15.800 1.00 3.23 H new ATOM 0 HD11 ILE A 50 14.121 19.074 -14.187 1.00 51.33 H new ATOM 0 HD12 ILE A 50 12.436 19.408 -13.723 1.00 51.33 H new ATOM 0 HD13 ILE A 50 13.097 17.765 -13.550 1.00 51.33 H new ATOM 788 N LEU A 51 12.567 17.530 -18.567 1.00 63.14 N ATOM 789 CA LEU A 51 13.448 16.782 -19.458 1.00 41.53 C ATOM 790 C LEU A 51 14.872 16.746 -18.912 1.00 33.12 C ATOM 791 O LEU A 51 15.282 17.629 -18.157 1.00 62.44 O ATOM 792 CB LEU A 51 13.442 17.406 -20.855 1.00 53.11 C ATOM 793 CG LEU A 51 12.071 17.795 -21.410 1.00 41.40 C ATOM 794 CD1 LEU A 51 12.207 18.377 -22.809 1.00 30.23 C ATOM 795 CD2 LEU A 51 11.138 16.593 -21.418 1.00 40.35 C ATOM 0 H LEU A 51 12.820 18.511 -18.449 1.00 63.14 H new ATOM 0 HA LEU A 51 13.076 15.759 -19.521 1.00 41.53 H new ATOM 0 HB2 LEU A 51 14.070 18.297 -20.836 1.00 53.11 H new ATOM 0 HB3 LEU A 51 13.906 16.703 -21.547 1.00 53.11 H new ATOM 0 HG LEU A 51 11.641 18.558 -20.762 1.00 41.40 H new ATOM 0 HD11 LEU A 51 11.221 18.648 -23.188 1.00 30.23 H new ATOM 0 HD12 LEU A 51 12.839 19.264 -22.774 1.00 30.23 H new ATOM 0 HD13 LEU A 51 12.658 17.636 -23.469 1.00 30.23 H new ATOM 0 HD21 LEU A 51 10.167 16.889 -21.816 1.00 40.35 H new ATOM 0 HD22 LEU A 51 11.562 15.807 -22.043 1.00 40.35 H new ATOM 0 HD23 LEU A 51 11.015 16.221 -20.401 1.00 40.35 H new ATOM 807 N THR A 52 15.623 15.720 -19.299 1.00 72.42 N ATOM 808 CA THR A 52 17.001 15.568 -18.849 1.00 53.24 C ATOM 809 C THR A 52 17.971 16.239 -19.815 1.00 61.20 C ATOM 810 O THR A 52 19.187 16.108 -19.678 1.00 53.35 O ATOM 811 CB THR A 52 17.384 14.083 -18.703 1.00 10.51 C ATOM 812 OG1 THR A 52 18.729 13.970 -18.226 1.00 23.50 O ATOM 813 CG2 THR A 52 17.248 13.356 -20.032 1.00 23.10 C ATOM 0 H THR A 52 15.300 14.981 -19.924 1.00 72.42 H new ATOM 0 HA THR A 52 17.071 16.051 -17.874 1.00 53.24 H new ATOM 0 HB THR A 52 16.705 13.623 -17.985 1.00 10.51 H new ATOM 0 HG1 THR A 52 19.272 14.692 -18.605 1.00 23.50 H new ATOM 0 HG21 THR A 52 17.524 12.309 -19.904 1.00 23.10 H new ATOM 0 HG22 THR A 52 16.216 13.420 -20.378 1.00 23.10 H new ATOM 0 HG23 THR A 52 17.906 13.817 -20.768 1.00 23.10 H new ATOM 821 N ASN A 53 17.426 16.958 -20.791 1.00 34.41 N ATOM 822 CA ASN A 53 18.244 17.649 -21.780 1.00 3.41 C ATOM 823 C ASN A 53 18.465 19.105 -21.381 1.00 52.41 C ATOM 824 O ASN A 53 18.698 19.964 -22.230 1.00 43.25 O ATOM 825 CB ASN A 53 17.583 17.581 -23.158 1.00 30.11 C ATOM 826 CG ASN A 53 16.434 18.560 -23.297 1.00 14.41 C ATOM 827 OD1 ASN A 53 15.826 18.966 -22.306 1.00 73.21 O ATOM 828 ND2 ASN A 53 16.130 18.945 -24.531 1.00 43.12 N ATOM 0 H ASN A 53 16.421 17.077 -20.918 1.00 34.41 H new ATOM 0 HA ASN A 53 19.213 17.151 -21.825 1.00 3.41 H new ATOM 0 HB2 ASN A 53 18.328 17.788 -23.926 1.00 30.11 H new ATOM 0 HB3 ASN A 53 17.218 16.569 -23.333 1.00 30.11 H new ATOM 0 HD21 ASN A 53 15.366 19.603 -24.686 1.00 43.12 H new ATOM 0 HD22 ASN A 53 16.661 18.583 -25.323 1.00 43.12 H new ATOM 835 N GLY A 54 18.389 19.375 -20.081 1.00 43.43 N ATOM 836 CA GLY A 54 18.583 20.728 -19.592 1.00 63.11 C ATOM 837 C GLY A 54 17.557 21.697 -20.144 1.00 74.10 C ATOM 838 O GLY A 54 17.769 22.910 -20.136 1.00 72.30 O ATOM 0 H GLY A 54 18.197 18.681 -19.358 1.00 43.43 H new ATOM 0 HA2 GLY A 54 18.530 20.729 -18.503 1.00 63.11 H new ATOM 0 HA3 GLY A 54 19.582 21.069 -19.862 1.00 63.11 H new ATOM 842 N LYS A 55 16.440 21.162 -20.627 1.00 2.12 N ATOM 843 CA LYS A 55 15.376 21.987 -21.186 1.00 71.12 C ATOM 844 C LYS A 55 14.006 21.471 -20.759 1.00 33.54 C ATOM 845 O LYS A 55 13.510 20.481 -21.297 1.00 42.34 O ATOM 846 CB LYS A 55 15.470 22.010 -22.713 1.00 50.35 C ATOM 847 CG LYS A 55 14.822 23.231 -23.344 1.00 71.31 C ATOM 848 CD LYS A 55 13.375 22.961 -23.722 1.00 10.23 C ATOM 849 CE LYS A 55 13.077 23.410 -25.144 1.00 43.02 C ATOM 850 NZ LYS A 55 11.613 23.490 -25.406 1.00 25.42 N ATOM 0 H LYS A 55 16.249 20.160 -20.642 1.00 2.12 H new ATOM 0 HA LYS A 55 15.498 23.001 -20.805 1.00 71.12 H new ATOM 0 HB2 LYS A 55 16.520 21.975 -23.005 1.00 50.35 H new ATOM 0 HB3 LYS A 55 14.998 21.112 -23.111 1.00 50.35 H new ATOM 0 HG2 LYS A 55 14.867 24.069 -22.648 1.00 71.31 H new ATOM 0 HG3 LYS A 55 15.383 23.524 -24.232 1.00 71.31 H new ATOM 0 HD2 LYS A 55 13.165 21.896 -23.624 1.00 10.23 H new ATOM 0 HD3 LYS A 55 12.714 23.481 -23.029 1.00 10.23 H new ATOM 0 HE2 LYS A 55 13.531 24.385 -25.319 1.00 43.02 H new ATOM 0 HE3 LYS A 55 13.534 22.714 -25.848 1.00 43.02 H new ATOM 0 HZ1 LYS A 55 11.452 23.799 -26.386 1.00 25.42 H new ATOM 0 HZ2 LYS A 55 11.183 22.554 -25.264 1.00 25.42 H new ATOM 0 HZ3 LYS A 55 11.180 24.173 -24.752 1.00 25.42 H new ATOM 864 N GLN A 56 13.399 22.148 -19.789 1.00 24.31 N ATOM 865 CA GLN A 56 12.086 21.757 -19.291 1.00 30.42 C ATOM 866 C GLN A 56 11.055 21.760 -20.414 1.00 74.12 C ATOM 867 O GLN A 56 11.194 22.489 -21.396 1.00 21.32 O ATOM 868 CB GLN A 56 11.641 22.699 -18.171 1.00 33.42 C ATOM 869 CG GLN A 56 11.873 22.139 -16.777 1.00 31.33 C ATOM 870 CD GLN A 56 11.013 22.814 -15.726 1.00 61.42 C ATOM 871 OE1 GLN A 56 11.281 23.945 -15.321 1.00 51.35 O ATOM 872 NE2 GLN A 56 9.972 22.121 -15.278 1.00 64.03 N ATOM 0 H GLN A 56 13.796 22.970 -19.333 1.00 24.31 H new ATOM 0 HA GLN A 56 12.162 20.744 -18.895 1.00 30.42 H new ATOM 0 HB2 GLN A 56 12.176 23.644 -18.268 1.00 33.42 H new ATOM 0 HB3 GLN A 56 10.581 22.920 -18.293 1.00 33.42 H new ATOM 0 HG2 GLN A 56 11.664 21.069 -16.780 1.00 31.33 H new ATOM 0 HG3 GLN A 56 12.924 22.258 -16.512 1.00 31.33 H new ATOM 0 HE21 GLN A 56 9.787 21.186 -15.642 1.00 64.03 H new ATOM 0 HE22 GLN A 56 9.358 22.524 -14.570 1.00 64.03 H new ATOM 881 N ALA A 57 10.020 20.940 -20.263 1.00 15.01 N ATOM 882 CA ALA A 57 8.964 20.850 -21.264 1.00 32.21 C ATOM 883 C ALA A 57 8.414 22.230 -21.608 1.00 44.03 C ATOM 884 O ALA A 57 8.573 23.193 -20.858 1.00 23.13 O ATOM 885 CB ALA A 57 7.846 19.942 -20.772 1.00 0.43 C ATOM 0 H ALA A 57 9.890 20.328 -19.457 1.00 15.01 H new ATOM 0 HA ALA A 57 9.393 20.422 -22.170 1.00 32.21 H new ATOM 0 HB1 ALA A 57 7.064 19.884 -21.529 1.00 0.43 H new ATOM 0 HB2 ALA A 57 8.244 18.945 -20.584 1.00 0.43 H new ATOM 0 HB3 ALA A 57 7.428 20.346 -19.850 1.00 0.43 H new ATOM 891 N PRO A 58 7.753 22.331 -22.771 1.00 12.34 N ATOM 892 CA PRO A 58 7.167 23.590 -23.241 1.00 12.12 C ATOM 893 C PRO A 58 5.964 24.017 -22.406 1.00 71.24 C ATOM 894 O PRO A 58 5.681 23.429 -21.362 1.00 74.14 O ATOM 895 CB PRO A 58 6.736 23.267 -24.674 1.00 1.32 C ATOM 896 CG PRO A 58 6.524 21.793 -24.683 1.00 23.33 C ATOM 897 CD PRO A 58 7.526 21.225 -23.715 1.00 75.22 C ATOM 0 HA PRO A 58 7.871 24.419 -23.170 1.00 12.12 H new ATOM 0 HB2 PRO A 58 5.824 23.800 -24.943 1.00 1.32 H new ATOM 0 HB3 PRO A 58 7.500 23.561 -25.393 1.00 1.32 H new ATOM 0 HG2 PRO A 58 5.506 21.543 -24.383 1.00 23.33 H new ATOM 0 HG3 PRO A 58 6.671 21.384 -25.682 1.00 23.33 H new ATOM 0 HD2 PRO A 58 7.140 20.339 -23.211 1.00 75.22 H new ATOM 0 HD3 PRO A 58 8.447 20.930 -24.217 1.00 75.22 H new ATOM 905 N ASP A 59 5.260 25.042 -22.873 1.00 72.12 N ATOM 906 CA ASP A 59 4.086 25.546 -22.170 1.00 52.43 C ATOM 907 C ASP A 59 2.848 24.729 -22.524 1.00 34.51 C ATOM 908 O ASP A 59 1.817 24.825 -21.857 1.00 63.42 O ATOM 909 CB ASP A 59 3.854 27.019 -22.512 1.00 2.10 C ATOM 910 CG ASP A 59 4.249 27.945 -21.379 1.00 11.54 C ATOM 911 OD1 ASP A 59 5.376 27.802 -20.860 1.00 0.02 O ATOM 912 OD2 ASP A 59 3.431 28.814 -21.011 1.00 41.40 O ATOM 0 H ASP A 59 5.482 25.540 -23.735 1.00 72.12 H new ATOM 0 HA ASP A 59 4.267 25.453 -21.099 1.00 52.43 H new ATOM 0 HB2 ASP A 59 4.425 27.276 -23.404 1.00 2.10 H new ATOM 0 HB3 ASP A 59 2.802 27.172 -22.752 1.00 2.10 H new ATOM 917 N TRP A 60 2.956 23.926 -23.576 1.00 61.13 N ATOM 918 CA TRP A 60 1.844 23.092 -24.019 1.00 64.01 C ATOM 919 C TRP A 60 2.072 21.633 -23.638 1.00 4.51 C ATOM 920 O TRP A 60 1.507 20.726 -24.249 1.00 35.11 O ATOM 921 CB TRP A 60 1.660 23.214 -25.533 1.00 21.53 C ATOM 922 CG TRP A 60 2.934 23.038 -26.302 1.00 43.22 C ATOM 923 CD1 TRP A 60 3.848 24.007 -26.606 1.00 72.35 C ATOM 924 CD2 TRP A 60 3.434 21.821 -26.866 1.00 63.11 C ATOM 925 NE1 TRP A 60 4.886 23.465 -27.326 1.00 34.33 N ATOM 926 CE2 TRP A 60 4.656 22.125 -27.497 1.00 42.35 C ATOM 927 CE3 TRP A 60 2.970 20.503 -26.897 1.00 40.34 C ATOM 928 CZ2 TRP A 60 5.416 21.160 -28.152 1.00 61.33 C ATOM 929 CZ3 TRP A 60 3.725 19.546 -27.548 1.00 2.20 C ATOM 930 CH2 TRP A 60 4.938 19.878 -28.168 1.00 35.25 C ATOM 0 H TRP A 60 3.802 23.834 -24.138 1.00 61.13 H new ATOM 0 HA TRP A 60 0.940 23.441 -23.521 1.00 64.01 H new ATOM 0 HB2 TRP A 60 0.938 22.469 -25.865 1.00 21.53 H new ATOM 0 HB3 TRP A 60 1.237 24.192 -25.763 1.00 21.53 H new ATOM 0 HD1 TRP A 60 3.767 25.046 -26.322 1.00 72.35 H new ATOM 0 HE1 TRP A 60 5.696 23.977 -27.676 1.00 34.33 H new ATOM 0 HE3 TRP A 60 2.038 20.237 -26.421 1.00 40.34 H new ATOM 0 HZ2 TRP A 60 6.350 21.414 -28.631 1.00 61.33 H new ATOM 0 HZ3 TRP A 60 3.375 18.525 -27.580 1.00 2.20 H new ATOM 0 HH2 TRP A 60 5.506 19.107 -28.668 1.00 35.25 H new ATOM 941 N LEU A 61 2.904 21.414 -22.625 1.00 54.31 N ATOM 942 CA LEU A 61 3.206 20.064 -22.162 1.00 1.40 C ATOM 943 C LEU A 61 2.697 19.850 -20.740 1.00 60.42 C ATOM 944 O LEU A 61 2.770 20.748 -19.902 1.00 73.31 O ATOM 945 CB LEU A 61 4.713 19.810 -22.220 1.00 64.11 C ATOM 946 CG LEU A 61 5.164 18.650 -23.109 1.00 5.23 C ATOM 947 CD1 LEU A 61 4.406 17.380 -22.755 1.00 3.23 C ATOM 948 CD2 LEU A 61 4.971 18.997 -24.578 1.00 12.24 C ATOM 0 H LEU A 61 3.381 22.153 -22.109 1.00 54.31 H new ATOM 0 HA LEU A 61 2.699 19.358 -22.820 1.00 1.40 H new ATOM 0 HB2 LEU A 61 5.202 20.720 -22.569 1.00 64.11 H new ATOM 0 HB3 LEU A 61 5.069 19.625 -21.207 1.00 64.11 H new ATOM 0 HG LEU A 61 6.226 18.475 -22.934 1.00 5.23 H new ATOM 0 HD11 LEU A 61 4.740 16.566 -23.398 1.00 3.23 H new ATOM 0 HD12 LEU A 61 4.596 17.121 -21.713 1.00 3.23 H new ATOM 0 HD13 LEU A 61 3.338 17.541 -22.900 1.00 3.23 H new ATOM 0 HD21 LEU A 61 5.297 18.160 -25.195 1.00 12.24 H new ATOM 0 HD22 LEU A 61 3.917 19.199 -24.769 1.00 12.24 H new ATOM 0 HD23 LEU A 61 5.560 19.880 -24.824 1.00 12.24 H new ATOM 960 N ALA A 62 2.184 18.653 -20.476 1.00 33.34 N ATOM 961 CA ALA A 62 1.667 18.318 -19.154 1.00 53.44 C ATOM 962 C ALA A 62 1.846 16.834 -18.854 1.00 4.21 C ATOM 963 O ALA A 62 2.339 16.077 -19.690 1.00 1.43 O ATOM 964 CB ALA A 62 0.199 18.706 -19.048 1.00 43.51 C ATOM 0 H ALA A 62 2.115 17.899 -21.159 1.00 33.34 H new ATOM 0 HA ALA A 62 2.236 18.882 -18.415 1.00 53.44 H new ATOM 0 HB1 ALA A 62 -0.174 18.450 -18.056 1.00 43.51 H new ATOM 0 HB2 ALA A 62 0.094 19.779 -19.210 1.00 43.51 H new ATOM 0 HB3 ALA A 62 -0.375 18.167 -19.802 1.00 43.51 H new ATOM 970 N ALA A 63 1.444 16.425 -17.655 1.00 43.01 N ATOM 971 CA ALA A 63 1.560 15.031 -17.245 1.00 50.03 C ATOM 972 C ALA A 63 0.580 14.706 -16.123 1.00 25.33 C ATOM 973 O ALA A 63 0.602 15.337 -15.067 1.00 35.13 O ATOM 974 CB ALA A 63 2.985 14.726 -16.810 1.00 24.45 C ATOM 0 H ALA A 63 1.035 17.039 -16.951 1.00 43.01 H new ATOM 0 HA ALA A 63 1.312 14.404 -18.101 1.00 50.03 H new ATOM 0 HB1 ALA A 63 3.057 13.682 -16.506 1.00 24.45 H new ATOM 0 HB2 ALA A 63 3.666 14.910 -17.641 1.00 24.45 H new ATOM 0 HB3 ALA A 63 3.254 15.367 -15.971 1.00 24.45 H new ATOM 980 N GLU A 64 -0.277 13.718 -16.359 1.00 62.44 N ATOM 981 CA GLU A 64 -1.265 13.311 -15.367 1.00 71.34 C ATOM 982 C GLU A 64 -0.762 12.121 -14.555 1.00 35.21 C ATOM 983 O GLU A 64 0.149 11.400 -14.962 1.00 31.25 O ATOM 984 CB GLU A 64 -2.588 12.955 -16.049 1.00 61.52 C ATOM 985 CG GLU A 64 -3.589 14.097 -16.070 1.00 42.54 C ATOM 986 CD GLU A 64 -4.926 13.691 -16.658 1.00 34.24 C ATOM 987 OE1 GLU A 64 -5.251 12.486 -16.617 1.00 61.34 O ATOM 988 OE2 GLU A 64 -5.649 14.579 -17.157 1.00 63.34 O ATOM 0 H GLU A 64 -0.307 13.185 -17.228 1.00 62.44 H new ATOM 0 HA GLU A 64 -1.428 14.149 -14.689 1.00 71.34 H new ATOM 0 HB2 GLU A 64 -2.386 12.641 -17.073 1.00 61.52 H new ATOM 0 HB3 GLU A 64 -3.033 12.102 -15.536 1.00 61.52 H new ATOM 0 HG2 GLU A 64 -3.739 14.462 -15.054 1.00 42.54 H new ATOM 0 HG3 GLU A 64 -3.178 14.924 -16.649 1.00 42.54 H new ATOM 995 N PRO A 65 -1.370 11.910 -13.378 1.00 22.22 N ATOM 996 CA PRO A 65 -1.001 10.809 -12.483 1.00 31.21 C ATOM 997 C PRO A 65 -1.399 9.448 -13.044 1.00 34.24 C ATOM 998 O PRO A 65 -1.940 9.354 -14.146 1.00 63.20 O ATOM 999 CB PRO A 65 -1.788 11.112 -11.205 1.00 63.32 C ATOM 1000 CG PRO A 65 -2.953 11.921 -11.660 1.00 63.13 C ATOM 1001 CD PRO A 65 -2.464 12.729 -12.830 1.00 43.40 C ATOM 0 HA PRO A 65 0.077 10.750 -12.332 1.00 31.21 H new ATOM 0 HB2 PRO A 65 -2.111 10.195 -10.712 1.00 63.32 H new ATOM 0 HB3 PRO A 65 -1.180 11.662 -10.487 1.00 63.32 H new ATOM 0 HG2 PRO A 65 -3.785 11.279 -11.950 1.00 63.13 H new ATOM 0 HG3 PRO A 65 -3.314 12.569 -10.861 1.00 63.13 H new ATOM 0 HD2 PRO A 65 -3.253 12.889 -13.565 1.00 43.40 H new ATOM 0 HD3 PRO A 65 -2.113 13.713 -12.520 1.00 43.40 H new ATOM 1009 N TYR A 66 -1.130 8.396 -12.278 1.00 41.13 N ATOM 1010 CA TYR A 66 -1.459 7.040 -12.700 1.00 63.31 C ATOM 1011 C TYR A 66 -0.880 6.743 -14.080 1.00 72.02 C ATOM 1012 O TYR A 66 -0.105 7.530 -14.621 1.00 74.13 O ATOM 1013 CB TYR A 66 -2.975 6.842 -12.717 1.00 74.03 C ATOM 1014 CG TYR A 66 -3.469 5.857 -11.682 1.00 74.32 C ATOM 1015 CD1 TYR A 66 -3.127 4.512 -11.756 1.00 33.11 C ATOM 1016 CD2 TYR A 66 -4.279 6.270 -10.631 1.00 63.13 C ATOM 1017 CE1 TYR A 66 -3.577 3.608 -10.813 1.00 23.21 C ATOM 1018 CE2 TYR A 66 -4.732 5.373 -9.683 1.00 45.21 C ATOM 1019 CZ TYR A 66 -4.378 4.043 -9.778 1.00 51.43 C ATOM 1020 OH TYR A 66 -4.828 3.147 -8.836 1.00 73.25 O ATOM 0 H TYR A 66 -0.685 8.457 -11.362 1.00 41.13 H new ATOM 0 HA TYR A 66 -1.017 6.347 -11.984 1.00 63.31 H new ATOM 0 HB2 TYR A 66 -3.460 7.804 -12.552 1.00 74.03 H new ATOM 0 HB3 TYR A 66 -3.277 6.499 -13.706 1.00 74.03 H new ATOM 0 HD1 TYR A 66 -2.499 4.168 -12.564 1.00 33.11 H new ATOM 0 HD2 TYR A 66 -4.559 7.310 -10.554 1.00 63.13 H new ATOM 0 HE1 TYR A 66 -3.303 2.566 -10.886 1.00 23.21 H new ATOM 0 HE2 TYR A 66 -5.360 5.711 -8.872 1.00 45.21 H new ATOM 0 HH TYR A 66 -5.379 3.616 -8.175 1.00 73.25 H new TER 1030 TYR A 66