USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 462 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 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.8) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -3 HIS : no HD1:sc= -0.0155 X(o=-0.015,f=0) USER MOD Single : A -5 GLN : amide:sc= -0.0993 X(o=-0.099,f=0) USER MOD Single : A -6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 21:sc= 0.583 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= -0.0478 (180deg=-0.326) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.971 K(o=-0.97,f=-5!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 66:sc= 0.455 USER MOD Single : A 31 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.061) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.483 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A -11 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.4) USER MOD Single : A -14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -16 SER OG : rot 180:sc= 0 USER MOD Single : A -17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -18 MET CE :methyl -151:sc= -0.225 (180deg=-1.25) USER MOD Single : A -18 MET N :NH3+ 169:sc= -0.0422 (180deg=-0.214) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 -21.066 3.429 22.029 1.00 0.00 N ATOM 2 CA MET A -18 -20.589 4.816 21.777 1.00 0.00 C ATOM 3 C MET A -18 -20.803 5.704 22.999 1.00 0.00 C ATOM 4 O MET A -18 -20.981 6.915 22.874 1.00 0.00 O ATOM 5 CB MET A -18 -21.350 5.380 20.574 1.00 0.00 C ATOM 6 CG MET A -18 -20.634 5.170 19.249 1.00 0.00 C ATOM 7 SD MET A -18 -20.057 6.713 18.515 1.00 0.00 S ATOM 8 CE MET A -18 -21.591 7.633 18.411 1.00 0.00 C ATOM 0 H1 MET A -18 -21.082 2.900 21.134 1.00 0.00 H new ATOM 0 H2 MET A -18 -20.425 2.958 22.699 1.00 0.00 H new ATOM 0 H3 MET A -18 -22.025 3.459 22.431 1.00 0.00 H new ATOM 0 HA MET A -18 -19.519 4.795 21.571 1.00 0.00 H new ATOM 0 HB2 MET A -18 -22.333 4.912 20.524 1.00 0.00 H new ATOM 0 HB3 MET A -18 -21.512 6.447 20.725 1.00 0.00 H new ATOM 0 HG2 MET A -18 -19.784 4.505 19.402 1.00 0.00 H new ATOM 0 HG3 MET A -18 -21.307 4.671 18.552 1.00 0.00 H new ATOM 0 HE1 MET A -18 -21.542 8.328 17.572 1.00 0.00 H new ATOM 0 HE2 MET A -18 -22.420 6.942 18.262 1.00 0.00 H new ATOM 0 HE3 MET A -18 -21.745 8.190 19.335 1.00 0.00 H new ATOM 20 N ASN A -17 -20.784 5.092 24.180 1.00 0.00 N ATOM 21 CA ASN A -17 -20.977 5.829 25.424 1.00 0.00 C ATOM 22 C ASN A -17 -19.648 6.351 25.963 1.00 0.00 C ATOM 23 O ASN A -17 -19.178 5.918 27.015 1.00 0.00 O ATOM 24 CB ASN A -17 -21.650 4.935 26.468 1.00 0.00 C ATOM 25 CG ASN A -17 -22.195 5.726 27.641 1.00 0.00 C ATOM 26 OD1 ASN A -17 -21.659 5.665 28.747 1.00 0.00 O ATOM 27 ND2 ASN A -17 -23.267 6.474 27.404 1.00 0.00 N ATOM 0 H ASN A -17 -20.637 4.090 24.301 1.00 0.00 H new ATOM 0 HA ASN A -17 -21.621 6.683 25.215 1.00 0.00 H new ATOM 0 HB2 ASN A -17 -22.462 4.381 25.998 1.00 0.00 H new ATOM 0 HB3 ASN A -17 -20.931 4.201 26.831 1.00 0.00 H new ATOM 0 HD21 ASN A -17 -23.678 7.028 28.155 1.00 0.00 H new ATOM 0 HD22 ASN A -17 -23.679 6.494 26.471 1.00 0.00 H new ATOM 34 N SER A -16 -19.047 7.285 25.233 1.00 0.00 N ATOM 35 CA SER A -16 -17.772 7.868 25.636 1.00 0.00 C ATOM 36 C SER A -16 -17.985 9.140 26.453 1.00 0.00 C ATOM 37 O SER A -16 -18.132 10.231 25.900 1.00 0.00 O ATOM 38 CB SER A -16 -16.917 8.177 24.406 1.00 0.00 C ATOM 39 OG SER A -16 -16.391 6.988 23.841 1.00 0.00 O ATOM 0 H SER A -16 -19.422 7.654 24.359 1.00 0.00 H new ATOM 0 HA SER A -16 -17.252 7.141 26.260 1.00 0.00 H new ATOM 0 HB2 SER A -16 -17.518 8.702 23.663 1.00 0.00 H new ATOM 0 HB3 SER A -16 -16.101 8.844 24.684 1.00 0.00 H new ATOM 0 HG SER A -16 -15.849 7.211 23.055 1.00 0.00 H new ATOM 45 N VAL A -15 -17.987 8.998 27.774 1.00 0.00 N ATOM 46 CA VAL A -15 -18.179 10.140 28.660 1.00 0.00 C ATOM 47 C VAL A -15 -16.838 10.690 29.118 1.00 0.00 C ATOM 48 O VAL A -15 -16.713 11.875 29.429 1.00 0.00 O ATOM 49 CB VAL A -15 -19.024 9.767 29.893 1.00 0.00 C ATOM 50 CG1 VAL A -15 -19.345 11.005 30.717 1.00 0.00 C ATOM 51 CG2 VAL A -15 -20.300 9.054 29.473 1.00 0.00 C ATOM 0 H VAL A -15 -17.858 8.107 28.253 1.00 0.00 H new ATOM 0 HA VAL A -15 -18.713 10.902 28.093 1.00 0.00 H new ATOM 0 HB VAL A -15 -18.442 9.086 30.514 1.00 0.00 H new ATOM 0 HG11 VAL A -15 -19.942 10.721 31.583 1.00 0.00 H new ATOM 0 HG12 VAL A -15 -18.418 11.469 31.052 1.00 0.00 H new ATOM 0 HG13 VAL A -15 -19.905 11.713 30.107 1.00 0.00 H new ATOM 0 HG21 VAL A -15 -20.883 8.799 30.358 1.00 0.00 H new ATOM 0 HG22 VAL A -15 -20.887 9.708 28.828 1.00 0.00 H new ATOM 0 HG23 VAL A -15 -20.046 8.143 28.931 1.00 0.00 H new ATOM 61 N LYS A -14 -15.831 9.831 29.123 1.00 0.00 N ATOM 62 CA LYS A -14 -14.489 10.238 29.504 1.00 0.00 C ATOM 63 C LYS A -14 -13.782 10.844 28.300 1.00 0.00 C ATOM 64 O LYS A -14 -12.942 11.733 28.438 1.00 0.00 O ATOM 65 CB LYS A -14 -13.695 9.046 30.042 1.00 0.00 C ATOM 66 CG LYS A -14 -12.756 9.405 31.183 1.00 0.00 C ATOM 67 CD LYS A -14 -13.522 9.848 32.421 1.00 0.00 C ATOM 68 CE LYS A -14 -13.016 11.184 32.942 1.00 0.00 C ATOM 69 NZ LYS A -14 -11.846 11.020 33.847 1.00 0.00 N ATOM 0 H LYS A -14 -15.918 8.847 28.867 1.00 0.00 H new ATOM 0 HA LYS A -14 -14.557 10.984 30.296 1.00 0.00 H new ATOM 0 HB2 LYS A -14 -14.392 8.280 30.383 1.00 0.00 H new ATOM 0 HB3 LYS A -14 -13.115 8.610 29.229 1.00 0.00 H new ATOM 0 HG2 LYS A -14 -12.134 8.544 31.428 1.00 0.00 H new ATOM 0 HG3 LYS A -14 -12.085 10.203 30.865 1.00 0.00 H new ATOM 0 HD2 LYS A -14 -14.583 9.927 32.185 1.00 0.00 H new ATOM 0 HD3 LYS A -14 -13.424 9.092 33.200 1.00 0.00 H new ATOM 0 HE2 LYS A -14 -12.738 11.820 32.101 1.00 0.00 H new ATOM 0 HE3 LYS A -14 -13.819 11.693 33.475 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 -11.531 11.954 34.180 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 -12.117 10.434 34.663 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 -11.070 10.557 33.331 1.00 0.00 H new ATOM 83 N GLU A -13 -14.149 10.364 27.114 1.00 0.00 N ATOM 84 CA GLU A -13 -13.577 10.863 25.879 1.00 0.00 C ATOM 85 C GLU A -13 -14.226 12.182 25.499 1.00 0.00 C ATOM 86 O GLU A -13 -13.562 13.108 25.032 1.00 0.00 O ATOM 87 CB GLU A -13 -13.754 9.841 24.753 1.00 0.00 C ATOM 88 CG GLU A -13 -12.540 9.720 23.845 1.00 0.00 C ATOM 89 CD GLU A -13 -11.888 8.353 23.920 1.00 0.00 C ATOM 90 OE1 GLU A -13 -12.612 7.342 23.799 1.00 0.00 O ATOM 91 OE2 GLU A -13 -10.654 8.293 24.099 1.00 0.00 O ATOM 0 H GLU A -13 -14.843 9.627 26.989 1.00 0.00 H new ATOM 0 HA GLU A -13 -12.510 11.026 26.031 1.00 0.00 H new ATOM 0 HB2 GLU A -13 -13.970 8.866 25.189 1.00 0.00 H new ATOM 0 HB3 GLU A -13 -14.620 10.120 24.153 1.00 0.00 H new ATOM 0 HG2 GLU A -13 -12.839 9.919 22.816 1.00 0.00 H new ATOM 0 HG3 GLU A -13 -11.810 10.482 24.118 1.00 0.00 H new ATOM 98 N LEU A -12 -15.533 12.262 25.715 1.00 0.00 N ATOM 99 CA LEU A -12 -16.283 13.473 25.410 1.00 0.00 C ATOM 100 C LEU A -12 -15.981 14.568 26.426 1.00 0.00 C ATOM 101 O LEU A -12 -16.092 15.757 26.125 1.00 0.00 O ATOM 102 CB LEU A -12 -17.785 13.181 25.383 1.00 0.00 C ATOM 103 CG LEU A -12 -18.626 14.181 24.585 1.00 0.00 C ATOM 104 CD1 LEU A -12 -20.025 13.632 24.349 1.00 0.00 C ATOM 105 CD2 LEU A -12 -18.690 15.519 25.306 1.00 0.00 C ATOM 0 H LEU A -12 -16.095 11.503 26.100 1.00 0.00 H new ATOM 0 HA LEU A -12 -15.975 13.822 24.424 1.00 0.00 H new ATOM 0 HB2 LEU A -12 -17.939 12.186 24.966 1.00 0.00 H new ATOM 0 HB3 LEU A -12 -18.153 13.157 26.409 1.00 0.00 H new ATOM 0 HG LEU A -12 -18.151 14.336 23.616 1.00 0.00 H new ATOM 0 HD11 LEU A -12 -20.609 14.356 23.780 1.00 0.00 H new ATOM 0 HD12 LEU A -12 -19.960 12.699 23.790 1.00 0.00 H new ATOM 0 HD13 LEU A -12 -20.510 13.448 25.308 1.00 0.00 H new ATOM 0 HD21 LEU A -12 -19.292 16.217 24.724 1.00 0.00 H new ATOM 0 HD22 LEU A -12 -19.142 15.382 26.288 1.00 0.00 H new ATOM 0 HD23 LEU A -12 -17.682 15.918 25.423 1.00 0.00 H new ATOM 117 N ASN A -11 -15.594 14.162 27.630 1.00 0.00 N ATOM 118 CA ASN A -11 -15.275 15.114 28.688 1.00 0.00 C ATOM 119 C ASN A -11 -14.014 15.898 28.349 1.00 0.00 C ATOM 120 O ASN A -11 -13.879 17.068 28.708 1.00 0.00 O ATOM 121 CB ASN A -11 -15.099 14.390 30.024 1.00 0.00 C ATOM 122 CG ASN A -11 -14.850 15.349 31.172 1.00 0.00 C ATOM 123 OD1 ASN A -11 -15.088 16.552 31.055 1.00 0.00 O ATOM 124 ND2 ASN A -11 -14.369 14.820 32.291 1.00 0.00 N ATOM 0 H ASN A -11 -15.494 13.183 27.898 1.00 0.00 H new ATOM 0 HA ASN A -11 -16.105 15.815 28.774 1.00 0.00 H new ATOM 0 HB2 ASN A -11 -15.991 13.799 30.234 1.00 0.00 H new ATOM 0 HB3 ASN A -11 -14.265 13.692 29.949 1.00 0.00 H new ATOM 0 HD21 ASN A -11 -14.182 15.416 33.098 1.00 0.00 H new ATOM 0 HD22 ASN A -11 -14.186 13.818 32.344 1.00 0.00 H new ATOM 131 N VAL A -10 -13.098 15.243 27.654 1.00 0.00 N ATOM 132 CA VAL A -10 -11.842 15.869 27.256 1.00 0.00 C ATOM 133 C VAL A -10 -12.056 16.851 26.110 1.00 0.00 C ATOM 134 O VAL A -10 -11.379 17.877 26.023 1.00 0.00 O ATOM 135 CB VAL A -10 -10.801 14.816 26.830 1.00 0.00 C ATOM 136 CG1 VAL A -10 -9.453 15.471 26.565 1.00 0.00 C ATOM 137 CG2 VAL A -10 -10.675 13.728 27.887 1.00 0.00 C ATOM 0 H VAL A -10 -13.199 14.274 27.352 1.00 0.00 H new ATOM 0 HA VAL A -10 -11.467 16.408 28.126 1.00 0.00 H new ATOM 0 HB VAL A -10 -11.141 14.352 25.904 1.00 0.00 H new ATOM 0 HG11 VAL A -10 -8.732 14.711 26.265 1.00 0.00 H new ATOM 0 HG12 VAL A -10 -9.557 16.207 25.768 1.00 0.00 H new ATOM 0 HG13 VAL A -10 -9.104 15.965 27.472 1.00 0.00 H new ATOM 0 HG21 VAL A -10 -9.935 12.994 27.567 1.00 0.00 H new ATOM 0 HG22 VAL A -10 -10.361 14.173 28.831 1.00 0.00 H new ATOM 0 HG23 VAL A -10 -11.639 13.237 28.020 1.00 0.00 H new ATOM 147 N LYS A -9 -13.002 16.530 25.231 1.00 0.00 N ATOM 148 CA LYS A -9 -13.307 17.383 24.085 1.00 0.00 C ATOM 149 C LYS A -9 -13.638 18.806 24.526 1.00 0.00 C ATOM 150 O LYS A -9 -13.489 19.754 23.755 1.00 0.00 O ATOM 151 CB LYS A -9 -14.476 16.799 23.290 1.00 0.00 C ATOM 152 CG LYS A -9 -14.120 15.535 22.524 1.00 0.00 C ATOM 153 CD LYS A -9 -15.359 14.719 22.189 1.00 0.00 C ATOM 154 CE LYS A -9 -15.800 14.941 20.752 1.00 0.00 C ATOM 155 NZ LYS A -9 -17.230 14.574 20.549 1.00 0.00 N ATOM 0 H LYS A -9 -13.571 15.685 25.290 1.00 0.00 H new ATOM 0 HA LYS A -9 -12.422 17.421 23.450 1.00 0.00 H new ATOM 0 HB2 LYS A -9 -15.296 16.581 23.974 1.00 0.00 H new ATOM 0 HB3 LYS A -9 -14.838 17.550 22.588 1.00 0.00 H new ATOM 0 HG2 LYS A -9 -13.598 15.800 21.605 1.00 0.00 H new ATOM 0 HG3 LYS A -9 -13.434 14.930 23.117 1.00 0.00 H new ATOM 0 HD2 LYS A -9 -15.153 13.661 22.348 1.00 0.00 H new ATOM 0 HD3 LYS A -9 -16.169 14.991 22.866 1.00 0.00 H new ATOM 0 HE2 LYS A -9 -15.652 15.987 20.484 1.00 0.00 H new ATOM 0 HE3 LYS A -9 -15.174 14.349 20.084 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 -17.493 14.739 19.557 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 -17.367 13.569 20.781 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 -17.829 15.157 21.168 1.00 0.00 H new ATOM 169 N GLU A -8 -14.092 18.952 25.769 1.00 0.00 N ATOM 170 CA GLU A -8 -14.445 20.262 26.304 1.00 0.00 C ATOM 171 C GLU A -8 -13.273 21.228 26.205 1.00 0.00 C ATOM 172 O GLU A -8 -13.306 22.191 25.439 1.00 0.00 O ATOM 173 CB GLU A -8 -14.901 20.136 27.760 1.00 0.00 C ATOM 174 CG GLU A -8 -15.747 21.306 28.236 1.00 0.00 C ATOM 175 CD GLU A -8 -14.997 22.224 29.182 1.00 0.00 C ATOM 176 OE1 GLU A -8 -14.697 21.792 30.315 1.00 0.00 O ATOM 177 OE2 GLU A -8 -14.708 23.373 28.789 1.00 0.00 O ATOM 0 H GLU A -8 -14.223 18.180 26.422 1.00 0.00 H new ATOM 0 HA GLU A -8 -15.266 20.660 25.707 1.00 0.00 H new ATOM 0 HB2 GLU A -8 -15.472 19.215 27.875 1.00 0.00 H new ATOM 0 HB3 GLU A -8 -14.023 20.049 28.401 1.00 0.00 H new ATOM 0 HG2 GLU A -8 -16.086 21.879 27.373 1.00 0.00 H new ATOM 0 HG3 GLU A -8 -16.638 20.925 28.736 1.00 0.00 H new ATOM 184 N MET A -7 -12.243 20.958 26.987 1.00 0.00 N ATOM 185 CA MET A -7 -11.047 21.792 27.004 1.00 0.00 C ATOM 186 C MET A -7 -10.273 21.663 25.696 1.00 0.00 C ATOM 187 O MET A -7 -9.640 22.617 25.239 1.00 0.00 O ATOM 188 CB MET A -7 -10.151 21.405 28.181 1.00 0.00 C ATOM 189 CG MET A -7 -9.741 19.941 28.177 1.00 0.00 C ATOM 190 SD MET A -7 -8.471 19.571 29.401 1.00 0.00 S ATOM 191 CE MET A -7 -7.033 19.376 28.351 1.00 0.00 C ATOM 0 H MET A -7 -12.208 20.162 27.624 1.00 0.00 H new ATOM 0 HA MET A -7 -11.359 22.830 27.117 1.00 0.00 H new ATOM 0 HB2 MET A -7 -9.255 22.025 28.164 1.00 0.00 H new ATOM 0 HB3 MET A -7 -10.673 21.625 29.112 1.00 0.00 H new ATOM 0 HG2 MET A -7 -10.617 19.322 28.370 1.00 0.00 H new ATOM 0 HG3 MET A -7 -9.374 19.673 27.186 1.00 0.00 H new ATOM 0 HE1 MET A -7 -6.163 19.143 28.965 1.00 0.00 H new ATOM 0 HE2 MET A -7 -7.206 18.564 27.644 1.00 0.00 H new ATOM 0 HE3 MET A -7 -6.854 20.302 27.804 1.00 0.00 H new ATOM 201 N LYS A -6 -10.328 20.475 25.099 1.00 0.00 N ATOM 202 CA LYS A -6 -9.631 20.213 23.845 1.00 0.00 C ATOM 203 C LYS A -6 -10.015 21.241 22.785 1.00 0.00 C ATOM 204 O LYS A -6 -9.158 21.955 22.264 1.00 0.00 O ATOM 205 CB LYS A -6 -9.948 18.801 23.345 1.00 0.00 C ATOM 206 CG LYS A -6 -8.768 17.845 23.438 1.00 0.00 C ATOM 207 CD LYS A -6 -8.578 17.066 22.145 1.00 0.00 C ATOM 208 CE LYS A -6 -8.211 15.616 22.417 1.00 0.00 C ATOM 209 NZ LYS A -6 -8.844 14.689 21.439 1.00 0.00 N ATOM 0 H LYS A -6 -10.849 19.678 25.465 1.00 0.00 H new ATOM 0 HA LYS A -6 -8.560 20.292 24.030 1.00 0.00 H new ATOM 0 HB2 LYS A -6 -10.779 18.397 23.924 1.00 0.00 H new ATOM 0 HB3 LYS A -6 -10.279 18.857 22.308 1.00 0.00 H new ATOM 0 HG2 LYS A -6 -7.861 18.406 23.663 1.00 0.00 H new ATOM 0 HG3 LYS A -6 -8.926 17.150 24.263 1.00 0.00 H new ATOM 0 HD2 LYS A -6 -9.495 17.106 21.557 1.00 0.00 H new ATOM 0 HD3 LYS A -6 -7.796 17.535 21.548 1.00 0.00 H new ATOM 0 HE2 LYS A -6 -7.128 15.502 22.376 1.00 0.00 H new ATOM 0 HE3 LYS A -6 -8.522 15.346 23.426 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 -8.569 13.711 21.660 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 -9.879 14.778 21.495 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 -8.528 14.929 20.478 1.00 0.00 H new ATOM 223 N GLN A -5 -11.306 21.318 22.475 1.00 0.00 N ATOM 224 CA GLN A -5 -11.790 22.265 21.484 1.00 0.00 C ATOM 225 C GLN A -5 -12.052 23.636 22.104 1.00 0.00 C ATOM 226 O GLN A -5 -12.739 24.473 21.519 1.00 0.00 O ATOM 227 CB GLN A -5 -13.078 21.747 20.872 1.00 0.00 C ATOM 228 CG GLN A -5 -12.872 20.625 19.866 1.00 0.00 C ATOM 229 CD GLN A -5 -13.831 19.471 20.075 1.00 0.00 C ATOM 230 OE1 GLN A -5 -15.049 19.649 20.051 1.00 0.00 O ATOM 231 NE2 GLN A -5 -13.286 18.277 20.283 1.00 0.00 N ATOM 0 H GLN A -5 -12.031 20.737 22.896 1.00 0.00 H new ATOM 0 HA GLN A -5 -11.021 22.371 20.719 1.00 0.00 H new ATOM 0 HB2 GLN A -5 -13.731 21.392 21.669 1.00 0.00 H new ATOM 0 HB3 GLN A -5 -13.594 22.572 20.381 1.00 0.00 H new ATOM 0 HG2 GLN A -5 -12.998 21.019 18.857 1.00 0.00 H new ATOM 0 HG3 GLN A -5 -11.848 20.259 19.940 1.00 0.00 H new ATOM 0 HE21 GLN A -5 -12.271 18.175 20.295 1.00 0.00 H new ATOM 0 HE22 GLN A -5 -13.882 17.463 20.431 1.00 0.00 H new ATOM 240 N LEU A -4 -11.489 23.858 23.279 1.00 0.00 N ATOM 241 CA LEU A -4 -11.638 25.126 23.980 1.00 0.00 C ATOM 242 C LEU A -4 -10.537 26.086 23.573 1.00 0.00 C ATOM 243 O LEU A -4 -10.789 27.146 22.999 1.00 0.00 O ATOM 244 CB LEU A -4 -11.611 24.910 25.494 1.00 0.00 C ATOM 245 CG LEU A -4 -11.893 26.158 26.333 1.00 0.00 C ATOM 246 CD1 LEU A -4 -13.385 26.303 26.586 1.00 0.00 C ATOM 247 CD2 LEU A -4 -11.129 26.100 27.647 1.00 0.00 C ATOM 0 H LEU A -4 -10.919 23.171 23.773 1.00 0.00 H new ATOM 0 HA LEU A -4 -12.601 25.557 23.707 1.00 0.00 H new ATOM 0 HB2 LEU A -4 -12.345 24.146 25.749 1.00 0.00 H new ATOM 0 HB3 LEU A -4 -10.633 24.518 25.772 1.00 0.00 H new ATOM 0 HG LEU A -4 -11.553 27.032 25.778 1.00 0.00 H new ATOM 0 HD11 LEU A -4 -13.568 27.196 27.184 1.00 0.00 H new ATOM 0 HD12 LEU A -4 -13.909 26.391 25.634 1.00 0.00 H new ATOM 0 HD13 LEU A -4 -13.750 25.427 27.121 1.00 0.00 H new ATOM 0 HD21 LEU A -4 -11.341 26.995 28.231 1.00 0.00 H new ATOM 0 HD22 LEU A -4 -11.438 25.219 28.209 1.00 0.00 H new ATOM 0 HD23 LEU A -4 -10.060 26.044 27.444 1.00 0.00 H new ATOM 259 N HIS A -3 -9.312 25.695 23.878 1.00 0.00 N ATOM 260 CA HIS A -3 -8.143 26.497 23.557 1.00 0.00 C ATOM 261 C HIS A -3 -7.688 26.255 22.121 1.00 0.00 C ATOM 262 O HIS A -3 -7.020 27.097 21.520 1.00 0.00 O ATOM 263 CB HIS A -3 -7.002 26.184 24.528 1.00 0.00 C ATOM 264 CG HIS A -3 -6.742 27.279 25.517 1.00 0.00 C ATOM 265 ND1 HIS A -3 -5.659 28.128 25.433 1.00 0.00 N ATOM 266 CD2 HIS A -3 -7.434 27.662 26.616 1.00 0.00 C ATOM 267 CE1 HIS A -3 -5.695 28.986 26.437 1.00 0.00 C ATOM 268 NE2 HIS A -3 -6.763 28.726 27.170 1.00 0.00 N ATOM 0 H HIS A -3 -9.099 24.818 24.353 1.00 0.00 H new ATOM 0 HA HIS A -3 -8.418 27.547 23.656 1.00 0.00 H new ATOM 0 HB2 HIS A -3 -7.236 25.266 25.067 1.00 0.00 H new ATOM 0 HB3 HIS A -3 -6.092 25.996 23.958 1.00 0.00 H new ATOM 0 HD2 HIS A -3 -8.344 27.215 26.988 1.00 0.00 H new ATOM 0 HE1 HIS A -3 -4.974 29.767 26.626 1.00 0.00 H new ATOM 0 HE2 HIS A -3 -7.044 29.232 28.010 1.00 0.00 H new ATOM 277 N GLY A -2 -8.053 25.099 21.579 1.00 0.00 N ATOM 278 CA GLY A -2 -7.672 24.763 20.219 1.00 0.00 C ATOM 279 C GLY A -2 -8.630 25.328 19.189 1.00 0.00 C ATOM 280 O GLY A -2 -9.260 26.361 19.415 1.00 0.00 O ATOM 0 H GLY A -2 -8.606 24.388 22.057 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -6.669 25.141 20.023 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -7.630 23.679 20.115 1.00 0.00 H new ATOM 284 N GLY A -1 -8.738 24.648 18.053 1.00 0.00 N ATOM 285 CA GLY A -1 -9.623 25.099 16.996 1.00 0.00 C ATOM 286 C GLY A -1 -8.962 25.065 15.633 1.00 0.00 C ATOM 287 O GLY A -1 -7.736 25.103 15.530 1.00 0.00 O ATOM 0 H GLY A -1 -8.227 23.790 17.845 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -10.514 24.472 16.980 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -9.953 26.115 17.211 1.00 0.00 H new ATOM 291 N VAL A 1 -9.773 24.993 14.584 1.00 0.00 N ATOM 292 CA VAL A 1 -9.256 24.954 13.221 1.00 0.00 C ATOM 293 C VAL A 1 -8.424 26.194 12.912 1.00 0.00 C ATOM 294 O VAL A 1 -8.928 27.317 12.946 1.00 0.00 O ATOM 295 CB VAL A 1 -10.394 24.846 12.190 1.00 0.00 C ATOM 296 CG1 VAL A 1 -10.970 23.438 12.176 1.00 0.00 C ATOM 297 CG2 VAL A 1 -11.479 25.871 12.482 1.00 0.00 C ATOM 0 H VAL A 1 -10.790 24.960 14.651 1.00 0.00 H new ATOM 0 HA VAL A 1 -8.625 24.068 13.149 1.00 0.00 H new ATOM 0 HB VAL A 1 -9.985 25.056 11.202 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -11.773 23.381 11.441 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -10.187 22.727 11.913 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -11.364 23.196 13.163 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -12.275 25.779 11.743 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -11.887 25.696 13.478 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -11.054 26.874 12.435 1.00 0.00 H new ATOM 307 N ASN A 2 -7.146 25.982 12.612 1.00 0.00 N ATOM 308 CA ASN A 2 -6.243 27.083 12.296 1.00 0.00 C ATOM 309 C ASN A 2 -5.036 26.587 11.504 1.00 0.00 C ATOM 310 O ASN A 2 -3.913 26.572 12.006 1.00 0.00 O ATOM 311 CB ASN A 2 -5.780 27.774 13.581 1.00 0.00 C ATOM 312 CG ASN A 2 -5.623 29.272 13.406 1.00 0.00 C ATOM 313 OD1 ASN A 2 -4.535 29.763 13.104 1.00 0.00 O ATOM 314 ND2 ASN A 2 -6.712 30.007 13.596 1.00 0.00 N ATOM 0 H ASN A 2 -6.713 25.059 12.581 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.785 27.802 11.681 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.499 27.577 14.376 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.829 27.346 13.898 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.667 31.021 13.493 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.593 29.558 13.845 1.00 0.00 H new ATOM 321 N TYR A 3 -5.278 26.182 10.261 1.00 0.00 N ATOM 322 CA TYR A 3 -4.213 25.687 9.397 1.00 0.00 C ATOM 323 C TYR A 3 -3.540 24.462 10.011 1.00 0.00 C ATOM 324 O TYR A 3 -2.322 24.305 9.937 1.00 0.00 O ATOM 325 CB TYR A 3 -3.180 26.790 9.145 1.00 0.00 C ATOM 326 CG TYR A 3 -3.159 27.284 7.717 1.00 0.00 C ATOM 327 CD1 TYR A 3 -4.286 27.859 7.145 1.00 0.00 C ATOM 328 CD2 TYR A 3 -2.012 27.174 6.939 1.00 0.00 C ATOM 329 CE1 TYR A 3 -4.273 28.311 5.840 1.00 0.00 C ATOM 330 CE2 TYR A 3 -1.991 27.623 5.633 1.00 0.00 C ATOM 331 CZ TYR A 3 -3.123 28.191 5.088 1.00 0.00 C ATOM 332 OH TYR A 3 -3.106 28.640 3.787 1.00 0.00 O ATOM 0 H TYR A 3 -6.202 26.187 9.830 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.654 25.392 8.445 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.388 27.630 9.808 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.190 26.416 9.406 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.188 27.954 7.731 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -1.123 26.730 7.363 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -5.158 28.756 5.411 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.092 27.530 5.042 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.220 28.482 3.398 1.00 0.00 H new ATOM 342 N GLY A 4 -4.345 23.594 10.615 1.00 0.00 N ATOM 343 CA GLY A 4 -3.812 22.394 11.232 1.00 0.00 C ATOM 344 C GLY A 4 -3.825 22.464 12.746 1.00 0.00 C ATOM 345 O GLY A 4 -4.028 21.455 13.420 1.00 0.00 O ATOM 0 H GLY A 4 -5.357 23.700 10.688 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.395 21.532 10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.790 22.236 10.888 1.00 0.00 H new ATOM 349 N ASN A 5 -3.616 23.665 13.284 1.00 0.00 N ATOM 350 CA ASN A 5 -3.612 23.873 14.727 1.00 0.00 C ATOM 351 C ASN A 5 -2.478 23.111 15.414 1.00 0.00 C ATOM 352 O ASN A 5 -2.396 23.084 16.642 1.00 0.00 O ATOM 353 CB ASN A 5 -4.949 23.433 15.297 1.00 0.00 C ATOM 354 CG ASN A 5 -5.303 24.153 16.583 1.00 0.00 C ATOM 355 OD1 ASN A 5 -5.018 25.339 16.742 1.00 0.00 O ATOM 356 ND2 ASN A 5 -5.927 23.435 17.510 1.00 0.00 N ATOM 0 H ASN A 5 -3.447 24.510 12.738 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.450 24.934 14.915 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.731 23.612 14.559 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.925 22.359 15.482 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.190 23.865 18.397 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.144 22.454 17.335 1.00 0.00 H new ATOM 363 N GLY A 6 -1.606 22.495 14.623 1.00 0.00 N ATOM 364 CA GLY A 6 -0.496 21.748 15.181 1.00 0.00 C ATOM 365 C GLY A 6 -0.924 20.410 15.753 1.00 0.00 C ATOM 366 O GLY A 6 -0.657 20.114 16.917 1.00 0.00 O ATOM 0 H GLY A 6 -1.649 22.500 13.604 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.254 21.585 14.407 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.022 22.339 15.964 1.00 0.00 H new ATOM 370 N VAL A 7 -1.589 19.602 14.926 1.00 0.00 N ATOM 371 CA VAL A 7 -2.062 18.280 15.336 1.00 0.00 C ATOM 372 C VAL A 7 -2.644 18.299 16.752 1.00 0.00 C ATOM 373 O VAL A 7 -2.984 19.358 17.281 1.00 0.00 O ATOM 374 CB VAL A 7 -0.930 17.226 15.224 1.00 0.00 C ATOM 375 CG1 VAL A 7 -0.123 17.107 16.513 1.00 0.00 C ATOM 376 CG2 VAL A 7 -1.494 15.874 14.808 1.00 0.00 C ATOM 0 H VAL A 7 -1.813 19.843 13.961 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.864 17.998 14.654 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.244 17.570 14.450 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.658 16.357 16.386 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.333 18.069 16.747 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.782 16.810 17.329 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.684 15.149 14.735 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.217 15.537 15.551 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.986 15.967 13.840 1.00 0.00 H new ATOM 386 N SER A 8 -2.753 17.123 17.356 1.00 0.00 N ATOM 387 CA SER A 8 -3.290 17.000 18.706 1.00 0.00 C ATOM 388 C SER A 8 -2.213 16.532 19.680 1.00 0.00 C ATOM 389 O SER A 8 -1.705 15.417 19.570 1.00 0.00 O ATOM 390 CB SER A 8 -4.467 16.024 18.724 1.00 0.00 C ATOM 391 OG SER A 8 -5.240 16.133 17.540 1.00 0.00 O ATOM 0 H SER A 8 -2.476 16.238 16.931 1.00 0.00 H new ATOM 0 HA SER A 8 -3.638 17.984 19.021 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.096 15.004 18.827 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.096 16.224 19.592 1.00 0.00 H new ATOM 0 HG SER A 8 -5.985 15.497 17.576 1.00 0.00 H new ATOM 397 N CYS A 9 -1.869 17.394 20.631 1.00 0.00 N ATOM 398 CA CYS A 9 -0.852 17.071 21.626 1.00 0.00 C ATOM 399 C CYS A 9 -1.472 16.386 22.839 1.00 0.00 C ATOM 400 O CYS A 9 -2.239 16.996 23.585 1.00 0.00 O ATOM 401 CB CYS A 9 -0.112 18.336 22.066 1.00 0.00 C ATOM 402 SG CYS A 9 0.177 19.542 20.729 1.00 0.00 S ATOM 0 H CYS A 9 -2.280 18.322 20.734 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.141 16.384 21.166 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.683 18.820 22.858 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.848 18.050 22.495 1.00 0.00 H new ATOM 407 N SER A 10 -1.137 15.116 23.026 1.00 0.00 N ATOM 408 CA SER A 10 -1.661 14.339 24.147 1.00 0.00 C ATOM 409 C SER A 10 -0.746 13.169 24.490 1.00 0.00 C ATOM 410 O SER A 10 -1.160 12.210 25.141 1.00 0.00 O ATOM 411 CB SER A 10 -3.034 13.801 23.791 1.00 0.00 C ATOM 412 OG SER A 10 -4.038 14.786 23.967 1.00 0.00 O ATOM 0 H SER A 10 -0.504 14.599 22.416 1.00 0.00 H new ATOM 0 HA SER A 10 -1.721 14.998 25.014 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.035 13.459 22.756 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.259 12.935 24.413 1.00 0.00 H new ATOM 0 HG SER A 10 -3.628 15.676 23.957 1.00 0.00 H new ATOM 418 N LYS A 11 0.493 13.257 24.041 1.00 0.00 N ATOM 419 CA LYS A 11 1.479 12.208 24.287 1.00 0.00 C ATOM 420 C LYS A 11 2.901 12.710 24.071 1.00 0.00 C ATOM 421 O LYS A 11 3.840 12.244 24.718 1.00 0.00 O ATOM 422 CB LYS A 11 1.205 11.006 23.381 1.00 0.00 C ATOM 423 CG LYS A 11 1.009 9.703 24.140 1.00 0.00 C ATOM 424 CD LYS A 11 1.602 8.524 23.386 1.00 0.00 C ATOM 425 CE LYS A 11 3.122 8.536 23.439 1.00 0.00 C ATOM 426 NZ LYS A 11 3.718 7.562 22.484 1.00 0.00 N ATOM 0 H LYS A 11 0.846 14.047 23.501 1.00 0.00 H new ATOM 0 HA LYS A 11 1.387 11.905 25.330 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.315 11.207 22.785 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.036 10.890 22.685 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.475 9.779 25.122 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.055 9.533 24.304 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.229 7.593 23.813 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.273 8.552 22.347 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.485 9.538 23.210 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.452 8.301 24.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.755 7.601 22.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.392 6.603 22.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.424 7.801 21.515 1.00 0.00 H new ATOM 440 N THR A 12 3.054 13.648 23.155 1.00 0.00 N ATOM 441 CA THR A 12 4.351 14.204 22.837 1.00 0.00 C ATOM 442 C THR A 12 4.262 15.724 22.684 1.00 0.00 C ATOM 443 O THR A 12 3.173 16.297 22.727 1.00 0.00 O ATOM 444 CB THR A 12 4.883 13.519 21.574 1.00 0.00 C ATOM 445 OG1 THR A 12 5.909 12.602 21.903 1.00 0.00 O ATOM 446 CG2 THR A 12 5.440 14.462 20.531 1.00 0.00 C ATOM 0 H THR A 12 2.285 14.043 22.614 1.00 0.00 H new ATOM 0 HA THR A 12 5.052 14.017 23.650 1.00 0.00 H new ATOM 0 HB THR A 12 4.011 13.025 21.145 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.237 12.171 21.086 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.793 13.889 19.674 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.659 15.152 20.210 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.270 15.026 20.957 1.00 0.00 H new ATOM 454 N LYS A 13 5.411 16.373 22.518 1.00 0.00 N ATOM 455 CA LYS A 13 5.469 17.827 22.371 1.00 0.00 C ATOM 456 C LYS A 13 4.880 18.305 21.050 1.00 0.00 C ATOM 457 O LYS A 13 5.275 19.340 20.515 1.00 0.00 O ATOM 458 CB LYS A 13 6.907 18.287 22.456 1.00 0.00 C ATOM 459 CG LYS A 13 7.424 18.444 23.878 1.00 0.00 C ATOM 460 CD LYS A 13 8.915 18.165 23.962 1.00 0.00 C ATOM 461 CE LYS A 13 9.554 18.902 25.129 1.00 0.00 C ATOM 462 NZ LYS A 13 9.596 20.373 24.900 1.00 0.00 N ATOM 0 H LYS A 13 6.321 15.913 22.482 1.00 0.00 H new ATOM 0 HA LYS A 13 4.873 18.254 23.178 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.538 17.572 21.928 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.004 19.241 21.938 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.222 19.455 24.230 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.887 17.763 24.539 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.080 17.093 24.073 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.396 18.467 23.032 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.995 18.692 26.041 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.567 18.529 25.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.325 20.798 25.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.823 20.563 23.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.670 20.787 25.129 1.00 0.00 H new ATOM 476 N CYS A 14 3.936 17.549 20.543 1.00 0.00 N ATOM 477 CA CYS A 14 3.263 17.868 19.288 1.00 0.00 C ATOM 478 C CYS A 14 4.168 17.576 18.095 1.00 0.00 C ATOM 479 O CYS A 14 4.605 18.490 17.396 1.00 0.00 O ATOM 480 CB CYS A 14 2.832 19.336 19.272 1.00 0.00 C ATOM 481 SG CYS A 14 2.163 19.938 20.857 1.00 0.00 S ATOM 0 H CYS A 14 3.605 16.691 20.984 1.00 0.00 H new ATOM 0 HA CYS A 14 2.377 17.238 19.211 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.688 19.951 18.995 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.078 19.473 18.497 1.00 0.00 H new ATOM 486 N SER A 15 4.447 16.295 17.868 1.00 0.00 N ATOM 487 CA SER A 15 5.301 15.885 16.760 1.00 0.00 C ATOM 488 C SER A 15 5.110 14.405 16.443 1.00 0.00 C ATOM 489 O SER A 15 5.793 13.548 17.002 1.00 0.00 O ATOM 490 CB SER A 15 6.768 16.163 17.090 1.00 0.00 C ATOM 491 OG SER A 15 7.474 16.608 15.944 1.00 0.00 O ATOM 0 H SER A 15 4.094 15.525 18.436 1.00 0.00 H new ATOM 0 HA SER A 15 5.017 16.465 15.882 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.831 16.917 17.875 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.234 15.258 17.479 1.00 0.00 H new ATOM 0 HG SER A 15 8.409 16.780 16.182 1.00 0.00 H new ATOM 497 N VAL A 16 4.178 14.114 15.541 1.00 0.00 N ATOM 498 CA VAL A 16 3.901 12.737 15.147 1.00 0.00 C ATOM 499 C VAL A 16 5.147 12.073 14.568 1.00 0.00 C ATOM 500 O VAL A 16 6.090 12.751 14.163 1.00 0.00 O ATOM 501 CB VAL A 16 2.765 12.668 14.107 1.00 0.00 C ATOM 502 CG1 VAL A 16 2.367 11.224 13.841 1.00 0.00 C ATOM 503 CG2 VAL A 16 1.567 13.482 14.570 1.00 0.00 C ATOM 0 H VAL A 16 3.603 14.812 15.070 1.00 0.00 H new ATOM 0 HA VAL A 16 3.592 12.205 16.046 1.00 0.00 H new ATOM 0 HB VAL A 16 3.128 13.097 13.173 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.564 11.198 13.104 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.227 10.674 13.460 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.024 10.764 14.768 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.775 13.421 13.823 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.203 13.086 15.518 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.863 14.523 14.701 1.00 0.00 H new ATOM 513 N ASN A 17 5.144 10.744 14.535 1.00 0.00 N ATOM 514 CA ASN A 17 6.276 9.990 14.007 1.00 0.00 C ATOM 515 C ASN A 17 6.176 9.841 12.490 1.00 0.00 C ATOM 516 O ASN A 17 6.269 8.734 11.957 1.00 0.00 O ATOM 517 CB ASN A 17 6.348 8.612 14.668 1.00 0.00 C ATOM 518 CG ASN A 17 5.112 7.776 14.396 1.00 0.00 C ATOM 519 OD1 ASN A 17 4.260 8.149 13.591 1.00 0.00 O ATOM 520 ND2 ASN A 17 5.010 6.637 15.071 1.00 0.00 N ATOM 0 H ASN A 17 4.371 10.167 14.867 1.00 0.00 H new ATOM 0 HA ASN A 17 7.187 10.542 14.236 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.229 8.083 14.304 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.471 8.734 15.744 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.201 6.032 14.931 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.741 6.367 15.729 1.00 0.00 H new ATOM 527 N TRP A 18 5.990 10.963 11.800 1.00 0.00 N ATOM 528 CA TRP A 18 5.882 10.959 10.348 1.00 0.00 C ATOM 529 C TRP A 18 7.251 10.793 9.689 1.00 0.00 C ATOM 530 O TRP A 18 7.350 10.678 8.468 1.00 0.00 O ATOM 531 CB TRP A 18 5.223 12.251 9.862 1.00 0.00 C ATOM 532 CG TRP A 18 3.727 12.204 9.895 1.00 0.00 C ATOM 533 CD1 TRP A 18 2.927 11.197 9.434 1.00 0.00 C ATOM 534 CD2 TRP A 18 2.848 13.207 10.416 1.00 0.00 C ATOM 535 NE1 TRP A 18 1.606 11.513 9.637 1.00 0.00 N ATOM 536 CE2 TRP A 18 1.531 12.743 10.239 1.00 0.00 C ATOM 537 CE3 TRP A 18 3.046 14.453 11.018 1.00 0.00 C ATOM 538 CZ2 TRP A 18 0.420 13.480 10.642 1.00 0.00 C ATOM 539 CZ3 TRP A 18 1.942 15.184 11.416 1.00 0.00 C ATOM 540 CH2 TRP A 18 0.644 14.696 11.226 1.00 0.00 C ATOM 0 H TRP A 18 5.911 11.887 12.226 1.00 0.00 H new ATOM 0 HA TRP A 18 5.262 10.109 10.062 1.00 0.00 H new ATOM 0 HB2 TRP A 18 5.567 13.080 10.480 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.550 12.456 8.843 1.00 0.00 H new ATOM 0 HD1 TRP A 18 3.282 10.285 8.977 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.810 10.928 9.382 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.044 14.838 11.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.582 13.105 10.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.084 16.148 11.882 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.198 15.292 11.547 1.00 0.00 H new ATOM 551 N GLY A 19 8.306 10.779 10.501 1.00 0.00 N ATOM 552 CA GLY A 19 9.649 10.624 9.972 1.00 0.00 C ATOM 553 C GLY A 19 10.246 9.277 10.316 1.00 0.00 C ATOM 554 O GLY A 19 10.732 8.560 9.438 1.00 0.00 O ATOM 0 H GLY A 19 8.254 10.872 11.515 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.627 10.744 8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.287 11.414 10.368 1.00 0.00 H new ATOM 558 N GLN A 20 10.203 8.923 11.598 1.00 0.00 N ATOM 559 CA GLN A 20 10.738 7.646 12.051 1.00 0.00 C ATOM 560 C GLN A 20 10.108 6.502 11.272 1.00 0.00 C ATOM 561 O GLN A 20 10.788 5.817 10.508 1.00 0.00 O ATOM 562 CB GLN A 20 10.489 7.460 13.549 1.00 0.00 C ATOM 563 CG GLN A 20 11.558 6.633 14.245 1.00 0.00 C ATOM 564 CD GLN A 20 11.057 5.986 15.521 1.00 0.00 C ATOM 565 OE1 GLN A 20 11.205 6.538 16.611 1.00 0.00 O ATOM 566 NE2 GLN A 20 10.460 4.806 15.391 1.00 0.00 N ATOM 0 H GLN A 20 9.804 9.501 12.338 1.00 0.00 H new ATOM 0 HA GLN A 20 11.813 7.643 11.873 1.00 0.00 H new ATOM 0 HB2 GLN A 20 10.433 8.439 14.024 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.520 6.981 13.691 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.913 5.859 13.565 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.412 7.270 14.476 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.359 4.385 14.468 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.103 4.322 16.215 1.00 0.00 H new ATOM 575 N ALA A 21 8.802 6.303 11.449 1.00 0.00 N ATOM 576 CA ALA A 21 8.112 5.241 10.732 1.00 0.00 C ATOM 577 C ALA A 21 8.101 5.480 9.235 1.00 0.00 C ATOM 578 O ALA A 21 7.682 4.628 8.453 1.00 0.00 O ATOM 579 CB ALA A 21 6.710 5.019 11.261 1.00 0.00 C ATOM 0 H ALA A 21 8.212 6.855 12.072 1.00 0.00 H new ATOM 0 HA ALA A 21 8.678 4.327 10.912 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.231 4.218 10.698 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.758 4.743 12.314 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.131 5.936 11.152 1.00 0.00 H new ATOM 585 N PHE A 22 8.612 6.622 8.849 1.00 0.00 N ATOM 586 CA PHE A 22 8.724 6.969 7.446 1.00 0.00 C ATOM 587 C PHE A 22 9.808 6.091 6.853 1.00 0.00 C ATOM 588 O PHE A 22 9.681 5.568 5.747 1.00 0.00 O ATOM 589 CB PHE A 22 9.066 8.450 7.267 1.00 0.00 C ATOM 590 CG PHE A 22 8.336 9.100 6.126 1.00 0.00 C ATOM 591 CD1 PHE A 22 6.955 9.204 6.140 1.00 0.00 C ATOM 592 CD2 PHE A 22 9.031 9.605 5.038 1.00 0.00 C ATOM 593 CE1 PHE A 22 6.279 9.799 5.091 1.00 0.00 C ATOM 594 CE2 PHE A 22 8.362 10.200 3.986 1.00 0.00 C ATOM 595 CZ PHE A 22 6.984 10.298 4.013 1.00 0.00 C ATOM 0 H PHE A 22 8.961 7.335 9.489 1.00 0.00 H new ATOM 0 HA PHE A 22 7.773 6.804 6.939 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.832 8.983 8.189 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.139 8.550 7.105 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.399 8.816 6.981 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.108 9.532 5.013 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.202 9.874 5.114 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.915 10.588 3.144 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.459 10.764 3.192 1.00 0.00 H new ATOM 605 N GLN A 23 10.852 5.889 7.651 1.00 0.00 N ATOM 606 CA GLN A 23 11.947 5.020 7.273 1.00 0.00 C ATOM 607 C GLN A 23 11.469 3.574 7.374 1.00 0.00 C ATOM 608 O GLN A 23 11.957 2.689 6.669 1.00 0.00 O ATOM 609 CB GLN A 23 13.152 5.251 8.191 1.00 0.00 C ATOM 610 CG GLN A 23 14.298 5.985 7.515 1.00 0.00 C ATOM 611 CD GLN A 23 14.723 7.227 8.272 1.00 0.00 C ATOM 612 OE1 GLN A 23 15.221 7.145 9.395 1.00 0.00 O ATOM 613 NE2 GLN A 23 14.528 8.390 7.660 1.00 0.00 N ATOM 0 H GLN A 23 10.957 6.322 8.569 1.00 0.00 H new ATOM 0 HA GLN A 23 12.259 5.237 6.251 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.830 5.821 9.063 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.512 4.288 8.554 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.150 5.312 7.421 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.000 6.264 6.505 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.112 8.413 6.729 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.794 9.260 8.121 1.00 0.00 H new ATOM 622 N GLU A 24 10.486 3.355 8.254 1.00 0.00 N ATOM 623 CA GLU A 24 9.905 2.037 8.455 1.00 0.00 C ATOM 624 C GLU A 24 9.137 1.606 7.213 1.00 0.00 C ATOM 625 O GLU A 24 9.134 0.432 6.845 1.00 0.00 O ATOM 626 CB GLU A 24 8.970 2.043 9.666 1.00 0.00 C ATOM 627 CG GLU A 24 9.702 2.046 11.000 1.00 0.00 C ATOM 628 CD GLU A 24 9.967 0.648 11.522 1.00 0.00 C ATOM 629 OE1 GLU A 24 10.985 0.047 11.119 1.00 0.00 O ATOM 630 OE2 GLU A 24 9.156 0.154 12.334 1.00 0.00 O ATOM 0 H GLU A 24 10.078 4.084 8.839 1.00 0.00 H new ATOM 0 HA GLU A 24 10.713 1.329 8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.325 2.920 9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.322 1.168 9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.649 2.574 10.889 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.113 2.598 11.732 1.00 0.00 H new ATOM 637 N ARG A 25 8.488 2.571 6.568 1.00 0.00 N ATOM 638 CA ARG A 25 7.716 2.305 5.365 1.00 0.00 C ATOM 639 C ARG A 25 8.637 2.082 4.174 1.00 0.00 C ATOM 640 O ARG A 25 8.362 1.260 3.298 1.00 0.00 O ATOM 641 CB ARG A 25 6.737 3.456 5.092 1.00 0.00 C ATOM 642 CG ARG A 25 7.377 4.721 4.534 1.00 0.00 C ATOM 643 CD ARG A 25 6.497 5.366 3.474 1.00 0.00 C ATOM 644 NE ARG A 25 5.468 6.220 4.062 1.00 0.00 N ATOM 645 CZ ARG A 25 4.435 6.712 3.381 1.00 0.00 C ATOM 646 NH1 ARG A 25 4.291 6.437 2.090 1.00 0.00 N ATOM 647 NH2 ARG A 25 3.543 7.479 3.993 1.00 0.00 N ATOM 0 H ARG A 25 8.484 3.548 6.862 1.00 0.00 H new ATOM 0 HA ARG A 25 7.138 1.394 5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.978 3.110 4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.223 3.705 6.020 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.553 5.429 5.344 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.349 4.480 4.105 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.116 5.957 2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.024 4.589 2.874 1.00 0.00 H new ATOM 0 HE ARG A 25 5.545 6.453 5.052 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.974 5.846 1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.498 6.817 1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.648 7.692 4.985 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.752 7.856 3.472 1.00 0.00 H new ATOM 661 N TYR A 26 9.735 2.817 4.160 1.00 0.00 N ATOM 662 CA TYR A 26 10.717 2.707 3.092 1.00 0.00 C ATOM 663 C TYR A 26 11.302 1.303 3.058 1.00 0.00 C ATOM 664 O TYR A 26 11.593 0.762 1.991 1.00 0.00 O ATOM 665 CB TYR A 26 11.832 3.740 3.281 1.00 0.00 C ATOM 666 CG TYR A 26 12.228 4.443 2.003 1.00 0.00 C ATOM 667 CD1 TYR A 26 11.582 5.603 1.596 1.00 0.00 C ATOM 668 CD2 TYR A 26 13.251 3.948 1.203 1.00 0.00 C ATOM 669 CE1 TYR A 26 11.940 6.249 0.428 1.00 0.00 C ATOM 670 CE2 TYR A 26 13.617 4.588 0.034 1.00 0.00 C ATOM 671 CZ TYR A 26 12.958 5.738 -0.349 1.00 0.00 C ATOM 672 OH TYR A 26 13.320 6.379 -1.511 1.00 0.00 O ATOM 0 H TYR A 26 9.971 3.500 4.880 1.00 0.00 H new ATOM 0 HA TYR A 26 10.219 2.904 2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.508 4.483 4.009 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.708 3.244 3.700 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.786 6.007 2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 26 13.769 3.048 1.500 1.00 0.00 H new ATOM 0 HE1 TYR A 26 11.425 7.149 0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.414 4.190 -0.576 1.00 0.00 H new ATOM 0 HH TYR A 26 14.054 5.890 -1.939 1.00 0.00 H new ATOM 682 N THR A 27 11.464 0.712 4.238 1.00 0.00 N ATOM 683 CA THR A 27 12.005 -0.636 4.350 1.00 0.00 C ATOM 684 C THR A 27 11.152 -1.621 3.561 1.00 0.00 C ATOM 685 O THR A 27 11.673 -2.530 2.915 1.00 0.00 O ATOM 686 CB THR A 27 12.073 -1.058 5.820 1.00 0.00 C ATOM 687 OG1 THR A 27 12.878 -0.159 6.562 1.00 0.00 O ATOM 688 CG2 THR A 27 12.634 -2.450 6.021 1.00 0.00 C ATOM 0 H THR A 27 11.228 1.147 5.130 1.00 0.00 H new ATOM 0 HA THR A 27 13.013 -0.639 3.935 1.00 0.00 H new ATOM 0 HB THR A 27 11.041 -1.048 6.170 1.00 0.00 H new ATOM 0 HG1 THR A 27 12.444 0.719 6.594 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.654 -2.684 7.085 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.006 -3.174 5.502 1.00 0.00 H new ATOM 0 HG23 THR A 27 13.647 -2.495 5.621 1.00 0.00 H new ATOM 696 N ALA A 28 9.838 -1.431 3.615 1.00 0.00 N ATOM 697 CA ALA A 28 8.912 -2.298 2.902 1.00 0.00 C ATOM 698 C ALA A 28 9.003 -2.073 1.396 1.00 0.00 C ATOM 699 O ALA A 28 8.791 -2.993 0.605 1.00 0.00 O ATOM 700 CB ALA A 28 7.489 -2.066 3.389 1.00 0.00 C ATOM 0 H ALA A 28 9.392 -0.683 4.146 1.00 0.00 H new ATOM 0 HA ALA A 28 9.188 -3.332 3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.807 -2.721 2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.430 -2.283 4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.209 -1.027 3.214 1.00 0.00 H new ATOM 706 N GLY A 29 9.318 -0.841 1.005 1.00 0.00 N ATOM 707 CA GLY A 29 9.430 -0.513 -0.405 1.00 0.00 C ATOM 708 C GLY A 29 10.738 -0.984 -1.015 1.00 0.00 C ATOM 709 O GLY A 29 10.747 -1.576 -2.095 1.00 0.00 O ATOM 0 H GLY A 29 9.498 -0.064 1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.598 -0.965 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.343 0.566 -0.531 1.00 0.00 H new ATOM 713 N ILE A 30 11.845 -0.720 -0.326 1.00 0.00 N ATOM 714 CA ILE A 30 13.164 -1.119 -0.808 1.00 0.00 C ATOM 715 C ILE A 30 13.210 -2.613 -1.124 1.00 0.00 C ATOM 716 O ILE A 30 13.806 -3.028 -2.118 1.00 0.00 O ATOM 717 CB ILE A 30 14.264 -0.780 0.223 1.00 0.00 C ATOM 718 CG1 ILE A 30 14.326 0.731 0.453 1.00 0.00 C ATOM 719 CG2 ILE A 30 15.619 -1.306 -0.236 1.00 0.00 C ATOM 720 CD1 ILE A 30 14.813 1.509 -0.752 1.00 0.00 C ATOM 0 H ILE A 30 11.855 -0.231 0.569 1.00 0.00 H new ATOM 0 HA ILE A 30 13.351 -0.557 -1.723 1.00 0.00 H new ATOM 0 HB ILE A 30 14.013 -1.268 1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.334 1.089 0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.985 0.935 1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.377 -1.055 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.569 -2.389 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.881 -0.851 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 30 14.831 2.573 -0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 30 15.818 1.179 -1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 30 14.141 1.336 -1.593 1.00 0.00 H new ATOM 732 N ASN A 31 12.580 -3.416 -0.273 1.00 0.00 N ATOM 733 CA ASN A 31 12.553 -4.863 -0.465 1.00 0.00 C ATOM 734 C ASN A 31 12.018 -5.222 -1.849 1.00 0.00 C ATOM 735 O ASN A 31 12.509 -6.149 -2.493 1.00 0.00 O ATOM 736 CB ASN A 31 11.693 -5.525 0.614 1.00 0.00 C ATOM 737 CG ASN A 31 12.214 -6.892 1.009 1.00 0.00 C ATOM 738 OD1 ASN A 31 11.475 -7.876 1.000 1.00 0.00 O ATOM 739 ND2 ASN A 31 13.493 -6.960 1.361 1.00 0.00 N ATOM 0 H ASN A 31 12.082 -3.091 0.555 1.00 0.00 H new ATOM 0 HA ASN A 31 13.575 -5.233 -0.385 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.661 -4.883 1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.669 -5.620 0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.899 -7.854 1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.069 -6.118 1.354 1.00 0.00 H new ATOM 746 N SER A 32 11.010 -4.482 -2.298 1.00 0.00 N ATOM 747 CA SER A 32 10.408 -4.720 -3.602 1.00 0.00 C ATOM 748 C SER A 32 11.338 -4.271 -4.726 1.00 0.00 C ATOM 749 O SER A 32 11.535 -4.990 -5.706 1.00 0.00 O ATOM 750 CB SER A 32 9.070 -3.988 -3.710 1.00 0.00 C ATOM 751 OG SER A 32 8.005 -4.802 -3.252 1.00 0.00 O ATOM 0 H SER A 32 10.593 -3.711 -1.776 1.00 0.00 H new ATOM 0 HA SER A 32 10.239 -5.792 -3.704 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.107 -3.069 -3.125 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.892 -3.700 -4.746 1.00 0.00 H new ATOM 0 HG SER A 32 7.161 -4.310 -3.330 1.00 0.00 H new ATOM 757 N PHE A 33 11.905 -3.078 -4.577 1.00 0.00 N ATOM 758 CA PHE A 33 12.813 -2.531 -5.579 1.00 0.00 C ATOM 759 C PHE A 33 14.039 -3.426 -5.750 1.00 0.00 C ATOM 760 O PHE A 33 14.463 -3.706 -6.873 1.00 0.00 O ATOM 761 CB PHE A 33 13.222 -1.099 -5.192 1.00 0.00 C ATOM 762 CG PHE A 33 14.707 -0.854 -5.164 1.00 0.00 C ATOM 763 CD1 PHE A 33 15.424 -0.722 -6.343 1.00 0.00 C ATOM 764 CD2 PHE A 33 15.384 -0.754 -3.959 1.00 0.00 C ATOM 765 CE1 PHE A 33 16.787 -0.497 -6.320 1.00 0.00 C ATOM 766 CE2 PHE A 33 16.746 -0.528 -3.930 1.00 0.00 C ATOM 767 CZ PHE A 33 17.449 -0.399 -5.111 1.00 0.00 C ATOM 0 H PHE A 33 11.752 -2.471 -3.772 1.00 0.00 H new ATOM 0 HA PHE A 33 12.296 -2.496 -6.538 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.766 -0.403 -5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 33 12.812 -0.872 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 33 14.911 -0.796 -7.291 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.840 -0.854 -3.031 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.334 -0.398 -7.246 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.261 -0.452 -2.984 1.00 0.00 H new ATOM 0 HZ PHE A 33 18.514 -0.222 -5.090 1.00 0.00 H new ATOM 777 N VAL A 34 14.605 -3.874 -4.632 1.00 0.00 N ATOM 778 CA VAL A 34 15.781 -4.734 -4.667 1.00 0.00 C ATOM 779 C VAL A 34 15.532 -5.965 -5.531 1.00 0.00 C ATOM 780 O VAL A 34 16.058 -6.065 -6.634 1.00 0.00 O ATOM 781 CB VAL A 34 16.202 -5.177 -3.251 1.00 0.00 C ATOM 782 CG1 VAL A 34 17.484 -5.996 -3.302 1.00 0.00 C ATOM 783 CG2 VAL A 34 16.367 -3.969 -2.341 1.00 0.00 C ATOM 0 H VAL A 34 14.268 -3.656 -3.694 1.00 0.00 H new ATOM 0 HA VAL A 34 16.590 -4.148 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 34 15.414 -5.808 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.763 -6.298 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.325 -6.883 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.283 -5.394 -3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.664 -4.301 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 34 17.133 -3.309 -2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.422 -3.430 -2.276 1.00 0.00 H new ATOM 793 N SER A 35 14.746 -6.910 -5.023 1.00 0.00 N ATOM 794 CA SER A 35 14.463 -8.131 -5.746 1.00 0.00 C ATOM 795 C SER A 35 14.048 -7.870 -7.171 1.00 0.00 C ATOM 796 O SER A 35 14.654 -8.411 -8.095 1.00 0.00 O ATOM 797 CB SER A 35 13.379 -8.943 -5.031 1.00 0.00 C ATOM 798 OG SER A 35 12.089 -8.438 -5.329 1.00 0.00 O ATOM 0 H SER A 35 14.296 -6.847 -4.110 1.00 0.00 H new ATOM 0 HA SER A 35 15.390 -8.704 -5.771 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.443 -9.988 -5.333 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.546 -8.912 -3.954 1.00 0.00 H new ATOM 0 HG SER A 35 11.413 -8.973 -4.863 1.00 0.00 H new ATOM 804 N GLY A 36 13.046 -7.034 -7.367 1.00 0.00 N ATOM 805 CA GLY A 36 12.635 -6.731 -8.724 1.00 0.00 C ATOM 806 C GLY A 36 13.848 -6.713 -9.629 1.00 0.00 C ATOM 807 O GLY A 36 13.849 -7.290 -10.716 1.00 0.00 O ATOM 0 H GLY A 36 12.517 -6.566 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.919 -7.475 -9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.131 -5.765 -8.755 1.00 0.00 H new ATOM 811 N VAL A 37 14.901 -6.071 -9.129 1.00 0.00 N ATOM 812 CA VAL A 37 16.164 -5.986 -9.818 1.00 0.00 C ATOM 813 C VAL A 37 17.107 -7.130 -9.430 1.00 0.00 C ATOM 814 O VAL A 37 17.402 -8.015 -10.233 1.00 0.00 O ATOM 815 CB VAL A 37 16.857 -4.639 -9.534 1.00 0.00 C ATOM 816 CG1 VAL A 37 18.163 -4.529 -10.310 1.00 0.00 C ATOM 817 CG2 VAL A 37 15.930 -3.482 -9.877 1.00 0.00 C ATOM 0 H VAL A 37 14.891 -5.595 -8.227 1.00 0.00 H new ATOM 0 HA VAL A 37 15.945 -6.066 -10.883 1.00 0.00 H new ATOM 0 HB VAL A 37 17.090 -4.591 -8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.635 -3.570 -10.094 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.831 -5.337 -10.014 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.959 -4.600 -11.378 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.435 -2.538 -9.671 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.665 -3.529 -10.933 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.025 -3.549 -9.273 1.00 0.00 H new ATOM 827 N ALA A 38 17.612 -7.061 -8.193 1.00 0.00 N ATOM 828 CA ALA A 38 18.563 -8.029 -7.670 1.00 0.00 C ATOM 829 C ALA A 38 17.934 -9.298 -7.115 1.00 0.00 C ATOM 830 O ALA A 38 18.029 -10.378 -7.699 1.00 0.00 O ATOM 831 CB ALA A 38 19.418 -7.375 -6.589 1.00 0.00 C ATOM 0 H ALA A 38 17.367 -6.326 -7.529 1.00 0.00 H new ATOM 0 HA ALA A 38 19.168 -8.339 -8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 38 20.130 -8.102 -6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.959 -6.530 -7.015 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.777 -7.025 -5.780 1.00 0.00 H new ATOM 837 N SER A 39 17.352 -9.144 -5.935 1.00 0.00 N ATOM 838 CA SER A 39 16.751 -10.237 -5.185 1.00 0.00 C ATOM 839 C SER A 39 15.558 -10.897 -5.885 1.00 0.00 C ATOM 840 O SER A 39 14.879 -11.735 -5.293 1.00 0.00 O ATOM 841 CB SER A 39 16.360 -9.709 -3.809 1.00 0.00 C ATOM 842 OG SER A 39 16.673 -10.645 -2.792 1.00 0.00 O ATOM 0 H SER A 39 17.283 -8.242 -5.464 1.00 0.00 H new ATOM 0 HA SER A 39 17.492 -11.032 -5.102 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.880 -8.771 -3.616 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.292 -9.491 -3.790 1.00 0.00 H new ATOM 0 HG SER A 39 16.413 -10.280 -1.920 1.00 0.00 H new ATOM 848 N GLY A 40 15.301 -10.525 -7.137 1.00 0.00 N ATOM 849 CA GLY A 40 14.187 -11.104 -7.863 1.00 0.00 C ATOM 850 C GLY A 40 14.481 -11.266 -9.341 1.00 0.00 C ATOM 851 O GLY A 40 13.725 -10.788 -10.187 1.00 0.00 O ATOM 0 H GLY A 40 15.843 -9.836 -7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.944 -12.077 -7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.308 -10.472 -7.738 1.00 0.00 H new ATOM 855 N ALA A 41 15.582 -11.944 -9.653 1.00 0.00 N ATOM 856 CA ALA A 41 15.972 -12.171 -11.035 1.00 0.00 C ATOM 857 C ALA A 41 16.653 -13.521 -11.204 1.00 0.00 C ATOM 858 O ALA A 41 16.372 -14.259 -12.148 1.00 0.00 O ATOM 859 CB ALA A 41 16.881 -11.052 -11.522 1.00 0.00 C ATOM 0 H ALA A 41 16.218 -12.345 -8.964 1.00 0.00 H new ATOM 0 HA ALA A 41 15.066 -12.176 -11.641 1.00 0.00 H new ATOM 0 HB1 ALA A 41 17.164 -11.238 -12.558 1.00 0.00 H new ATOM 0 HB2 ALA A 41 16.354 -10.100 -11.454 1.00 0.00 H new ATOM 0 HB3 ALA A 41 17.777 -11.016 -10.903 1.00 0.00 H new ATOM 865 N GLY A 42 17.547 -13.833 -10.282 1.00 0.00 N ATOM 866 CA GLY A 42 18.264 -15.094 -10.332 1.00 0.00 C ATOM 867 C GLY A 42 19.072 -15.252 -11.605 1.00 0.00 C ATOM 868 O GLY A 42 18.568 -15.757 -12.610 1.00 0.00 O ATOM 0 H GLY A 42 17.793 -13.234 -9.494 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.930 -15.164 -9.472 1.00 0.00 H new ATOM 0 HA3 GLY A 42 17.553 -15.916 -10.252 1.00 0.00 H new ATOM 872 N SER A 43 20.327 -14.819 -11.564 1.00 0.00 N ATOM 873 CA SER A 43 21.208 -14.915 -12.724 1.00 0.00 C ATOM 874 C SER A 43 22.231 -16.034 -12.548 1.00 0.00 C ATOM 875 O SER A 43 22.812 -16.513 -13.521 1.00 0.00 O ATOM 876 CB SER A 43 21.925 -13.584 -12.956 1.00 0.00 C ATOM 877 OG SER A 43 22.487 -13.527 -14.256 1.00 0.00 O ATOM 0 H SER A 43 20.758 -14.398 -10.741 1.00 0.00 H new ATOM 0 HA SER A 43 20.594 -15.148 -13.594 1.00 0.00 H new ATOM 0 HB2 SER A 43 21.223 -12.761 -12.824 1.00 0.00 H new ATOM 0 HB3 SER A 43 22.710 -13.456 -12.211 1.00 0.00 H new ATOM 0 HG SER A 43 22.938 -12.666 -14.380 1.00 0.00 H new ATOM 883 N ILE A 44 22.447 -16.446 -11.303 1.00 0.00 N ATOM 884 CA ILE A 44 23.400 -17.508 -11.004 1.00 0.00 C ATOM 885 C ILE A 44 22.685 -18.824 -10.714 1.00 0.00 C ATOM 886 O ILE A 44 22.824 -19.395 -9.632 1.00 0.00 O ATOM 887 CB ILE A 44 24.291 -17.139 -9.802 1.00 0.00 C ATOM 888 CG1 ILE A 44 24.876 -15.738 -9.983 1.00 0.00 C ATOM 889 CG2 ILE A 44 25.401 -18.166 -9.630 1.00 0.00 C ATOM 890 CD1 ILE A 44 25.761 -15.606 -11.203 1.00 0.00 C ATOM 0 H ILE A 44 21.975 -16.060 -10.485 1.00 0.00 H new ATOM 0 HA ILE A 44 24.028 -17.629 -11.887 1.00 0.00 H new ATOM 0 HB ILE A 44 23.678 -17.141 -8.900 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.060 -15.019 -10.056 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.453 -15.476 -9.096 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.022 -17.891 -8.777 1.00 0.00 H new ATOM 0 HG22 ILE A 44 24.963 -19.149 -9.459 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.014 -18.194 -10.531 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.141 -14.586 -11.268 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.597 -16.300 -11.123 1.00 0.00 H new ATOM 0 HD13 ILE A 44 25.183 -15.836 -12.098 1.00 0.00 H new ATOM 902 N GLY A 45 21.919 -19.301 -11.689 1.00 0.00 N ATOM 903 CA GLY A 45 21.192 -20.545 -11.520 1.00 0.00 C ATOM 904 C GLY A 45 20.115 -20.451 -10.457 1.00 0.00 C ATOM 905 O GLY A 45 19.099 -19.785 -10.652 1.00 0.00 O ATOM 0 H GLY A 45 21.789 -18.848 -12.594 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.737 -20.827 -12.469 1.00 0.00 H new ATOM 0 HA3 GLY A 45 21.892 -21.337 -11.254 1.00 0.00 H new ATOM 909 N ARG A 46 20.338 -21.119 -9.330 1.00 0.00 N ATOM 910 CA ARG A 46 19.378 -21.108 -8.232 1.00 0.00 C ATOM 911 C ARG A 46 18.042 -21.698 -8.673 1.00 0.00 C ATOM 912 O ARG A 46 17.308 -21.011 -9.414 1.00 0.00 O ATOM 913 CB ARG A 46 19.178 -19.680 -7.717 1.00 0.00 C ATOM 914 CG ARG A 46 19.873 -19.409 -6.393 1.00 0.00 C ATOM 915 CD ARG A 46 21.356 -19.140 -6.586 1.00 0.00 C ATOM 916 NE ARG A 46 22.027 -18.837 -5.325 1.00 0.00 N ATOM 917 CZ ARG A 46 21.938 -17.664 -4.701 1.00 0.00 C ATOM 918 NH1 ARG A 46 21.208 -16.684 -5.216 1.00 0.00 N ATOM 919 NH2 ARG A 46 22.579 -17.472 -3.556 1.00 0.00 N ATOM 920 OXT ARG A 46 17.740 -22.841 -8.273 1.00 0.00 O ATOM 0 H ARG A 46 21.175 -21.675 -9.153 1.00 0.00 H new ATOM 0 HA ARG A 46 19.776 -21.724 -7.425 1.00 0.00 H new ATOM 0 HB2 ARG A 46 19.550 -18.978 -8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 46 18.111 -19.490 -7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 46 19.407 -18.552 -5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.741 -20.264 -5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 46 21.825 -20.010 -7.046 1.00 0.00 H new ATOM 0 HD3 ARG A 46 21.486 -18.306 -7.275 1.00 0.00 H new ATOM 0 HE ARG A 46 22.597 -19.566 -4.897 1.00 0.00 H new ATOM 0 HH11 ARG A 46 20.711 -16.826 -6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 46 21.144 -15.788 -4.733 1.00 0.00 H new ATOM 0 HH21 ARG A 46 23.140 -18.223 -3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 46 22.511 -16.574 -3.078 1.00 0.00 H new TER 934 ARG A 46