USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 898 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 GLN : amide:sc= 0.248 X(o=0.38,f=-0.1) USER MOD Set 1.2: A 110 ASN : amide:sc= 0.133 K(o=0.38,f=-1) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0928 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.187 USER MOD Single : A 3 SER OG : rot 5:sc= 0.253 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 32:sc= 0.00576 USER MOD Single : A 8 ASN : amide:sc= -0.802 K(o=-0.8,f=-1.8) USER MOD Single : A 10 ASN : amide:sc= -1.55 K(o=-1.5,f=-0.14) USER MOD Single : A 11 SER OG : rot 7:sc= -0.572 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00224 USER MOD Single : A 19 TYR OH : rot 70:sc= -0.596 USER MOD Single : A 26 ASN : amide:sc= -0.682 X(o=-0.68,f=-0.26) USER MOD Single : A 27 SER OG : rot 85:sc= 0.23 USER MOD Single : A 31 THR OG1 : rot -160:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -6.95! C(o=-6.9!,f=-15!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 108:sc= 0.781 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.33) USER MOD Single : A 85 ASN : amide:sc= 0.488 K(o=0.49,f=-4.6!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -178:sc= -0.195 (180deg=-0.204) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 40:sc= 0.628 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -2.9! K(o=-2.9!,f=-0.62) USER MOD Single : A 117 ASN : amide:sc= -3.2! K(o=-3.2!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.037 28.754 29.680 1.00 0.00 N ATOM 2 CA GLY A 1 2.293 29.131 29.057 1.00 0.00 C ATOM 3 C GLY A 1 2.223 29.096 27.543 1.00 0.00 C ATOM 4 O GLY A 1 1.144 28.949 26.968 1.00 0.00 O ATOM 0 H1 GLY A 1 0.741 29.499 30.343 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.309 28.633 28.947 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.160 27.860 30.197 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.569 30.134 29.382 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.080 28.458 29.397 1.00 0.00 H new ATOM 8 N SER A 2 3.376 29.232 26.895 1.00 0.00 N ATOM 9 CA SER A 2 3.440 29.220 25.439 1.00 0.00 C ATOM 10 C SER A 2 4.841 28.851 24.960 1.00 0.00 C ATOM 11 O SER A 2 5.831 29.446 25.386 1.00 0.00 O ATOM 12 CB SER A 2 3.040 30.586 24.879 1.00 0.00 C ATOM 13 OG SER A 2 3.899 31.606 25.360 1.00 0.00 O ATOM 0 H SER A 2 4.278 29.352 27.356 1.00 0.00 H new ATOM 0 HA SER A 2 2.741 28.467 25.075 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.075 30.560 23.790 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.011 30.810 25.160 1.00 0.00 H new ATOM 0 HG SER A 2 4.767 31.218 25.597 1.00 0.00 H new ATOM 19 N SER A 3 4.915 27.866 24.071 1.00 0.00 N ATOM 20 CA SER A 3 6.194 27.414 23.535 1.00 0.00 C ATOM 21 C SER A 3 6.026 26.854 22.126 1.00 0.00 C ATOM 22 O SER A 3 4.955 26.371 21.762 1.00 0.00 O ATOM 23 CB SER A 3 6.806 26.351 24.449 1.00 0.00 C ATOM 24 OG SER A 3 7.242 26.919 25.672 1.00 0.00 O ATOM 0 H SER A 3 4.104 27.365 23.706 1.00 0.00 H new ATOM 0 HA SER A 3 6.864 28.273 23.488 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.071 25.571 24.648 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.647 25.875 23.945 1.00 0.00 H new ATOM 0 HG SER A 3 6.981 27.863 25.706 1.00 0.00 H new ATOM 30 N GLY A 4 7.094 26.923 21.337 1.00 0.00 N ATOM 31 CA GLY A 4 7.045 26.420 19.977 1.00 0.00 C ATOM 32 C GLY A 4 8.362 26.596 19.246 1.00 0.00 C ATOM 33 O GLY A 4 9.328 27.111 19.809 1.00 0.00 O ATOM 0 H GLY A 4 7.992 27.318 21.616 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.780 25.363 19.993 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.257 26.937 19.430 1.00 0.00 H new ATOM 37 N SER A 5 8.401 26.165 17.990 1.00 0.00 N ATOM 38 CA SER A 5 9.611 26.272 17.182 1.00 0.00 C ATOM 39 C SER A 5 9.313 26.938 15.842 1.00 0.00 C ATOM 40 O SER A 5 8.464 26.473 15.081 1.00 0.00 O ATOM 41 CB SER A 5 10.220 24.888 16.952 1.00 0.00 C ATOM 42 OG SER A 5 11.554 24.989 16.483 1.00 0.00 O ATOM 0 H SER A 5 7.609 25.738 17.509 1.00 0.00 H new ATOM 0 HA SER A 5 10.326 26.891 17.724 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.200 24.319 17.882 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.618 24.338 16.229 1.00 0.00 H new ATOM 0 HG SER A 5 11.921 24.091 16.345 1.00 0.00 H new ATOM 48 N SER A 6 10.017 28.029 15.561 1.00 0.00 N ATOM 49 CA SER A 6 9.826 28.762 14.315 1.00 0.00 C ATOM 50 C SER A 6 10.663 28.154 13.193 1.00 0.00 C ATOM 51 O SER A 6 11.850 27.880 13.367 1.00 0.00 O ATOM 52 CB SER A 6 10.197 30.234 14.503 1.00 0.00 C ATOM 53 OG SER A 6 11.511 30.368 15.017 1.00 0.00 O ATOM 0 H SER A 6 10.725 28.425 16.179 1.00 0.00 H new ATOM 0 HA SER A 6 8.774 28.692 14.039 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.122 30.756 13.549 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.488 30.707 15.182 1.00 0.00 H new ATOM 0 HG SER A 6 12.066 29.628 14.694 1.00 0.00 H new ATOM 59 N GLY A 7 10.034 27.946 12.040 1.00 0.00 N ATOM 60 CA GLY A 7 10.735 27.372 10.906 1.00 0.00 C ATOM 61 C GLY A 7 9.788 26.844 9.847 1.00 0.00 C ATOM 62 O GLY A 7 8.667 26.439 10.153 1.00 0.00 O ATOM 0 H GLY A 7 9.052 28.165 11.871 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.385 28.127 10.464 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.377 26.562 11.252 1.00 0.00 H new ATOM 66 N ASN A 8 10.239 26.849 8.597 1.00 0.00 N ATOM 67 CA ASN A 8 9.423 26.368 7.488 1.00 0.00 C ATOM 68 C ASN A 8 9.034 24.907 7.692 1.00 0.00 C ATOM 69 O ASN A 8 9.818 24.000 7.411 1.00 0.00 O ATOM 70 CB ASN A 8 10.177 26.527 6.166 1.00 0.00 C ATOM 71 CG ASN A 8 11.654 26.213 6.302 1.00 0.00 C ATOM 72 OD1 ASN A 8 12.060 25.453 7.181 1.00 0.00 O ATOM 73 ND2 ASN A 8 12.466 26.799 5.429 1.00 0.00 N ATOM 0 H ASN A 8 11.165 27.181 8.327 1.00 0.00 H new ATOM 0 HA ASN A 8 8.513 26.966 7.454 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.736 25.869 5.418 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.057 27.548 5.803 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.470 26.626 5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.085 27.422 4.717 1.00 0.00 H new ATOM 80 N ASP A 9 7.819 24.687 8.182 1.00 0.00 N ATOM 81 CA ASP A 9 7.325 23.336 8.423 1.00 0.00 C ATOM 82 C ASP A 9 6.883 22.679 7.119 1.00 0.00 C ATOM 83 O ASP A 9 5.730 22.804 6.709 1.00 0.00 O ATOM 84 CB ASP A 9 6.160 23.365 9.414 1.00 0.00 C ATOM 85 CG ASP A 9 6.606 23.706 10.822 1.00 0.00 C ATOM 86 OD1 ASP A 9 6.714 24.910 11.135 1.00 0.00 O ATOM 87 OD2 ASP A 9 6.849 22.769 11.611 1.00 0.00 O ATOM 0 H ASP A 9 7.158 25.427 8.420 1.00 0.00 H new ATOM 0 HA ASP A 9 8.139 22.748 8.848 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.423 24.096 9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.666 22.393 9.418 1.00 0.00 H new ATOM 92 N ASN A 10 7.810 21.979 6.471 1.00 0.00 N ATOM 93 CA ASN A 10 7.516 21.304 5.213 1.00 0.00 C ATOM 94 C ASN A 10 8.172 19.927 5.169 1.00 0.00 C ATOM 95 O ASN A 10 9.385 19.811 4.999 1.00 0.00 O ATOM 96 CB ASN A 10 7.999 22.149 4.032 1.00 0.00 C ATOM 97 CG ASN A 10 7.299 23.492 3.959 1.00 0.00 C ATOM 98 OD1 ASN A 10 6.350 23.670 3.195 1.00 0.00 O ATOM 99 ND2 ASN A 10 7.768 24.447 4.754 1.00 0.00 N ATOM 0 H ASN A 10 8.770 21.865 6.797 1.00 0.00 H new ATOM 0 HA ASN A 10 6.436 21.175 5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.074 22.307 4.117 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.829 21.603 3.104 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.339 25.373 4.747 1.00 0.00 H new ATOM 0 HD22 ASN A 10 8.557 24.255 5.371 1.00 0.00 H new ATOM 106 N SER A 11 7.360 18.886 5.322 1.00 0.00 N ATOM 107 CA SER A 11 7.861 17.516 5.303 1.00 0.00 C ATOM 108 C SER A 11 6.791 16.553 4.799 1.00 0.00 C ATOM 109 O SER A 11 5.600 16.709 5.072 1.00 0.00 O ATOM 110 CB SER A 11 8.319 17.099 6.702 1.00 0.00 C ATOM 111 OG SER A 11 9.464 17.833 7.104 1.00 0.00 O ATOM 0 H SER A 11 6.353 18.965 5.460 1.00 0.00 H new ATOM 0 HA SER A 11 8.711 17.476 4.622 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.511 17.260 7.416 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.545 16.033 6.711 1.00 0.00 H new ATOM 0 HG SER A 11 9.656 18.529 6.441 1.00 0.00 H new ATOM 117 N PRO A 12 7.223 15.533 4.043 1.00 0.00 N ATOM 118 CA PRO A 12 6.319 14.523 3.484 1.00 0.00 C ATOM 119 C PRO A 12 5.735 13.610 4.556 1.00 0.00 C ATOM 120 O PRO A 12 6.424 13.230 5.503 1.00 0.00 O ATOM 121 CB PRO A 12 7.220 13.727 2.536 1.00 0.00 C ATOM 122 CG PRO A 12 8.595 13.906 3.081 1.00 0.00 C ATOM 123 CD PRO A 12 8.628 15.285 3.678 1.00 0.00 C ATOM 0 HA PRO A 12 5.456 14.975 2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.938 12.674 2.512 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.147 14.100 1.514 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.818 13.150 3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.343 13.803 2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.283 15.331 4.548 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.994 16.023 2.964 1.00 0.00 H new ATOM 131 N ARG A 13 4.462 13.262 4.401 1.00 0.00 N ATOM 132 CA ARG A 13 3.785 12.394 5.357 1.00 0.00 C ATOM 133 C ARG A 13 2.783 11.485 4.652 1.00 0.00 C ATOM 134 O ARG A 13 1.741 11.940 4.181 1.00 0.00 O ATOM 135 CB ARG A 13 3.071 13.230 6.421 1.00 0.00 C ATOM 136 CG ARG A 13 2.906 12.512 7.751 1.00 0.00 C ATOM 137 CD ARG A 13 4.211 12.481 8.532 1.00 0.00 C ATOM 138 NE ARG A 13 4.364 13.654 9.388 1.00 0.00 N ATOM 139 CZ ARG A 13 3.638 13.867 10.480 1.00 0.00 C ATOM 140 NH1 ARG A 13 2.713 12.991 10.846 1.00 0.00 N ATOM 141 NH2 ARG A 13 3.836 14.959 11.207 1.00 0.00 N ATOM 0 H ARG A 13 3.878 13.568 3.622 1.00 0.00 H new ATOM 0 HA ARG A 13 4.538 11.771 5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.630 14.152 6.582 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.088 13.515 6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.138 13.011 8.342 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.561 11.493 7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.246 11.579 9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.049 12.428 7.837 1.00 0.00 H new ATOM 0 HE ARG A 13 5.067 14.348 9.134 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.557 12.151 10.289 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.157 13.157 11.685 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.546 15.636 10.928 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.278 15.122 12.045 1.00 0.00 H new ATOM 155 N PHE A 14 3.107 10.198 4.583 1.00 0.00 N ATOM 156 CA PHE A 14 2.236 9.224 3.934 1.00 0.00 C ATOM 157 C PHE A 14 0.844 9.239 4.558 1.00 0.00 C ATOM 158 O PHE A 14 0.659 9.720 5.675 1.00 0.00 O ATOM 159 CB PHE A 14 2.839 7.822 4.036 1.00 0.00 C ATOM 160 CG PHE A 14 3.963 7.581 3.070 1.00 0.00 C ATOM 161 CD1 PHE A 14 3.702 7.305 1.737 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.281 7.629 3.494 1.00 0.00 C ATOM 163 CE1 PHE A 14 4.735 7.082 0.846 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.319 7.408 2.608 1.00 0.00 C ATOM 165 CZ PHE A 14 6.045 7.135 1.282 1.00 0.00 C ATOM 0 H PHE A 14 3.966 9.805 4.968 1.00 0.00 H new ATOM 0 HA PHE A 14 2.146 9.497 2.883 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.203 7.665 5.051 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.056 7.085 3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.680 7.264 1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.500 7.842 4.530 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.518 6.867 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.342 7.449 2.952 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.854 6.963 0.587 1.00 0.00 H new ATOM 175 N GLU A 15 -0.131 8.708 3.826 1.00 0.00 N ATOM 176 CA GLU A 15 -1.507 8.661 4.308 1.00 0.00 C ATOM 177 C GLU A 15 -1.645 7.679 5.467 1.00 0.00 C ATOM 178 O GLU A 15 -2.283 7.977 6.476 1.00 0.00 O ATOM 179 CB GLU A 15 -2.454 8.265 3.173 1.00 0.00 C ATOM 180 CG GLU A 15 -2.720 9.386 2.183 1.00 0.00 C ATOM 181 CD GLU A 15 -3.909 10.242 2.576 1.00 0.00 C ATOM 182 OE1 GLU A 15 -3.897 10.794 3.696 1.00 0.00 O ATOM 183 OE2 GLU A 15 -4.851 10.359 1.764 1.00 0.00 O ATOM 0 H GLU A 15 0.006 8.305 2.899 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.774 9.656 4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.032 7.413 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.402 7.936 3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.834 10.016 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.895 8.959 1.195 1.00 0.00 H new ATOM 190 N LYS A 16 -1.042 6.504 5.314 1.00 0.00 N ATOM 191 CA LYS A 16 -1.095 5.477 6.347 1.00 0.00 C ATOM 192 C LYS A 16 0.306 5.123 6.836 1.00 0.00 C ATOM 193 O LYS A 16 1.104 4.548 6.096 1.00 0.00 O ATOM 194 CB LYS A 16 -1.792 4.223 5.812 1.00 0.00 C ATOM 195 CG LYS A 16 -3.152 4.500 5.194 1.00 0.00 C ATOM 196 CD LYS A 16 -3.744 3.249 4.568 1.00 0.00 C ATOM 197 CE LYS A 16 -3.274 3.068 3.133 1.00 0.00 C ATOM 198 NZ LYS A 16 -4.210 2.218 2.345 1.00 0.00 N ATOM 0 H LYS A 16 -0.511 6.240 4.484 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.665 5.872 7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.152 3.752 5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.911 3.508 6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.829 4.881 5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.057 5.277 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.461 2.377 5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.832 3.309 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.180 4.044 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.282 2.615 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.854 2.119 1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.280 1.278 2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.150 2.662 2.326 1.00 0.00 H new ATOM 212 N SER A 17 0.597 5.469 8.085 1.00 0.00 N ATOM 213 CA SER A 17 1.902 5.190 8.672 1.00 0.00 C ATOM 214 C SER A 17 2.369 3.782 8.314 1.00 0.00 C ATOM 215 O SER A 17 3.568 3.516 8.227 1.00 0.00 O ATOM 216 CB SER A 17 1.847 5.350 10.192 1.00 0.00 C ATOM 217 OG SER A 17 1.290 6.602 10.553 1.00 0.00 O ATOM 0 H SER A 17 -0.054 5.944 8.711 1.00 0.00 H new ATOM 0 HA SER A 17 2.616 5.906 8.265 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.252 4.545 10.624 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.851 5.262 10.607 1.00 0.00 H new ATOM 0 HG SER A 17 1.264 6.679 11.530 1.00 0.00 H new ATOM 223 N VAL A 18 1.412 2.883 8.107 1.00 0.00 N ATOM 224 CA VAL A 18 1.723 1.502 7.757 1.00 0.00 C ATOM 225 C VAL A 18 0.688 0.933 6.793 1.00 0.00 C ATOM 226 O VAL A 18 -0.438 0.625 7.186 1.00 0.00 O ATOM 227 CB VAL A 18 1.789 0.608 9.009 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.179 -0.813 8.631 1.00 0.00 C ATOM 229 CG2 VAL A 18 2.763 1.185 10.025 1.00 0.00 C ATOM 0 H VAL A 18 0.415 3.086 8.176 1.00 0.00 H new ATOM 0 HA VAL A 18 2.700 1.510 7.273 1.00 0.00 H new ATOM 0 HB VAL A 18 0.800 0.578 9.465 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.221 -1.430 9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.439 -1.223 7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.157 -0.806 8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.797 0.540 10.903 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.757 1.247 9.582 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.434 2.182 10.319 1.00 0.00 H new ATOM 239 N TYR A 19 1.077 0.795 5.531 1.00 0.00 N ATOM 240 CA TYR A 19 0.182 0.264 4.509 1.00 0.00 C ATOM 241 C TYR A 19 0.059 -1.252 4.627 1.00 0.00 C ATOM 242 O TYR A 19 0.985 -1.988 4.289 1.00 0.00 O ATOM 243 CB TYR A 19 0.686 0.639 3.115 1.00 0.00 C ATOM 244 CG TYR A 19 0.348 2.056 2.709 1.00 0.00 C ATOM 245 CD1 TYR A 19 0.819 3.140 3.440 1.00 0.00 C ATOM 246 CD2 TYR A 19 -0.441 2.310 1.594 1.00 0.00 C ATOM 247 CE1 TYR A 19 0.512 4.436 3.073 1.00 0.00 C ATOM 248 CE2 TYR A 19 -0.752 3.603 1.219 1.00 0.00 C ATOM 249 CZ TYR A 19 -0.273 4.662 1.962 1.00 0.00 C ATOM 250 OH TYR A 19 -0.580 5.952 1.593 1.00 0.00 O ATOM 0 H TYR A 19 2.006 1.043 5.191 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.804 0.703 4.662 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.768 0.509 3.082 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.260 -0.050 2.386 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.435 2.966 4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.818 1.483 1.011 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.885 5.267 3.653 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.366 3.783 0.349 1.00 0.00 H new ATOM 0 HH TYR A 19 0.225 6.396 1.254 1.00 0.00 H new ATOM 260 N GLU A 20 -1.093 -1.710 5.109 1.00 0.00 N ATOM 261 CA GLU A 20 -1.338 -3.138 5.272 1.00 0.00 C ATOM 262 C GLU A 20 -2.219 -3.671 4.146 1.00 0.00 C ATOM 263 O GLU A 20 -3.392 -3.314 4.041 1.00 0.00 O ATOM 264 CB GLU A 20 -1.997 -3.414 6.625 1.00 0.00 C ATOM 265 CG GLU A 20 -1.668 -4.784 7.194 1.00 0.00 C ATOM 266 CD GLU A 20 -2.012 -4.902 8.667 1.00 0.00 C ATOM 267 OE1 GLU A 20 -1.248 -4.366 9.498 1.00 0.00 O ATOM 268 OE2 GLU A 20 -3.042 -5.529 8.988 1.00 0.00 O ATOM 0 H GLU A 20 -1.870 -1.113 5.393 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.378 -3.652 5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.682 -2.650 7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.078 -3.324 6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.212 -5.546 6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.606 -4.985 7.055 1.00 0.00 H new ATOM 275 N ALA A 21 -1.645 -4.527 3.307 1.00 0.00 N ATOM 276 CA ALA A 21 -2.378 -5.110 2.190 1.00 0.00 C ATOM 277 C ALA A 21 -2.148 -6.615 2.109 1.00 0.00 C ATOM 278 O ALA A 21 -1.146 -7.128 2.610 1.00 0.00 O ATOM 279 CB ALA A 21 -1.971 -4.441 0.886 1.00 0.00 C ATOM 0 H ALA A 21 -0.674 -4.832 3.380 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.442 -4.940 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.526 -4.886 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.192 -3.375 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.903 -4.582 0.723 1.00 0.00 H new ATOM 285 N ASP A 22 -3.081 -7.318 1.478 1.00 0.00 N ATOM 286 CA ASP A 22 -2.980 -8.766 1.331 1.00 0.00 C ATOM 287 C ASP A 22 -2.555 -9.140 -0.085 1.00 0.00 C ATOM 288 O ASP A 22 -3.345 -9.051 -1.026 1.00 0.00 O ATOM 289 CB ASP A 22 -4.317 -9.428 1.667 1.00 0.00 C ATOM 290 CG ASP A 22 -4.553 -9.531 3.161 1.00 0.00 C ATOM 291 OD1 ASP A 22 -4.659 -8.474 3.818 1.00 0.00 O ATOM 292 OD2 ASP A 22 -4.631 -10.667 3.674 1.00 0.00 O ATOM 0 H ASP A 22 -3.917 -6.909 1.060 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.221 -9.125 2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.126 -8.856 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.346 -10.425 1.228 1.00 0.00 H new ATOM 297 N LEU A 23 -1.302 -9.557 -0.230 1.00 0.00 N ATOM 298 CA LEU A 23 -0.770 -9.944 -1.532 1.00 0.00 C ATOM 299 C LEU A 23 -0.753 -11.462 -1.684 1.00 0.00 C ATOM 300 O LEU A 23 -0.172 -12.171 -0.863 1.00 0.00 O ATOM 301 CB LEU A 23 0.642 -9.386 -1.715 1.00 0.00 C ATOM 302 CG LEU A 23 1.094 -9.163 -3.158 1.00 0.00 C ATOM 303 CD1 LEU A 23 1.481 -10.483 -3.806 1.00 0.00 C ATOM 304 CD2 LEU A 23 0.000 -8.474 -3.960 1.00 0.00 C ATOM 0 H LEU A 23 -0.635 -9.636 0.538 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.421 -9.527 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.707 -8.436 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.345 -10.068 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 23 1.971 -8.516 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.800 -10.304 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.298 -10.937 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.622 -11.155 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.340 -8.324 -4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.896 -9.095 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.229 -7.509 -3.508 1.00 0.00 H new ATOM 316 N ALA A 24 -1.391 -11.953 -2.741 1.00 0.00 N ATOM 317 CA ALA A 24 -1.445 -13.386 -3.003 1.00 0.00 C ATOM 318 C ALA A 24 -0.088 -13.913 -3.458 1.00 0.00 C ATOM 319 O ALA A 24 0.657 -13.219 -4.148 1.00 0.00 O ATOM 320 CB ALA A 24 -2.509 -13.692 -4.048 1.00 0.00 C ATOM 0 H ALA A 24 -1.878 -11.380 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.708 -13.890 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.538 -14.766 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.482 -13.360 -3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.270 -13.170 -4.974 1.00 0.00 H new ATOM 326 N GLU A 25 0.226 -15.143 -3.065 1.00 0.00 N ATOM 327 CA GLU A 25 1.495 -15.761 -3.431 1.00 0.00 C ATOM 328 C GLU A 25 1.490 -16.185 -4.897 1.00 0.00 C ATOM 329 O GLU A 25 2.506 -16.632 -5.428 1.00 0.00 O ATOM 330 CB GLU A 25 1.774 -16.973 -2.539 1.00 0.00 C ATOM 331 CG GLU A 25 0.797 -18.119 -2.746 1.00 0.00 C ATOM 332 CD GLU A 25 1.371 -19.457 -2.323 1.00 0.00 C ATOM 333 OE1 GLU A 25 2.597 -19.647 -2.463 1.00 0.00 O ATOM 334 OE2 GLU A 25 0.594 -20.315 -1.854 1.00 0.00 O ATOM 0 H GLU A 25 -0.380 -15.731 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 25 2.284 -15.023 -3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.786 -17.330 -2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.739 -16.661 -1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.113 -17.923 -2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.514 -18.165 -3.798 1.00 0.00 H new ATOM 341 N ASN A 26 0.338 -16.042 -5.545 1.00 0.00 N ATOM 342 CA ASN A 26 0.200 -16.411 -6.949 1.00 0.00 C ATOM 343 C ASN A 26 0.282 -15.180 -7.846 1.00 0.00 C ATOM 344 O ASN A 26 0.448 -15.294 -9.060 1.00 0.00 O ATOM 345 CB ASN A 26 -1.129 -17.135 -7.179 1.00 0.00 C ATOM 346 CG ASN A 26 -1.429 -17.337 -8.651 1.00 0.00 C ATOM 347 OD1 ASN A 26 -1.045 -18.346 -9.242 1.00 0.00 O ATOM 348 ND2 ASN A 26 -2.120 -16.375 -9.251 1.00 0.00 N ATOM 0 H ASN A 26 -0.513 -15.673 -5.120 1.00 0.00 H new ATOM 0 HA ASN A 26 1.021 -17.081 -7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.103 -18.104 -6.680 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.936 -16.562 -6.722 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.353 -16.456 -10.241 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.418 -15.555 -8.722 1.00 0.00 H new ATOM 355 N SER A 27 0.167 -14.003 -7.238 1.00 0.00 N ATOM 356 CA SER A 27 0.225 -12.750 -7.981 1.00 0.00 C ATOM 357 C SER A 27 1.322 -12.798 -9.041 1.00 0.00 C ATOM 358 O SER A 27 2.424 -13.285 -8.788 1.00 0.00 O ATOM 359 CB SER A 27 0.471 -11.579 -7.029 1.00 0.00 C ATOM 360 OG SER A 27 -0.633 -11.387 -6.161 1.00 0.00 O ATOM 0 H SER A 27 0.033 -13.892 -6.233 1.00 0.00 H new ATOM 0 HA SER A 27 -0.733 -12.607 -8.480 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.371 -11.766 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.648 -10.670 -7.604 1.00 0.00 H new ATOM 0 HG SER A 27 -0.545 -11.978 -5.384 1.00 0.00 H new ATOM 366 N ALA A 28 1.012 -12.288 -10.228 1.00 0.00 N ATOM 367 CA ALA A 28 1.971 -12.270 -11.326 1.00 0.00 C ATOM 368 C ALA A 28 3.112 -11.299 -11.042 1.00 0.00 C ATOM 369 O ALA A 28 3.051 -10.483 -10.122 1.00 0.00 O ATOM 370 CB ALA A 28 1.275 -11.903 -12.628 1.00 0.00 C ATOM 0 H ALA A 28 0.104 -11.882 -10.454 1.00 0.00 H new ATOM 0 HA ALA A 28 2.395 -13.270 -11.422 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.003 -11.893 -13.439 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.499 -12.637 -12.845 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.824 -10.915 -12.534 1.00 0.00 H new ATOM 376 N PRO A 29 4.179 -11.386 -11.850 1.00 0.00 N ATOM 377 CA PRO A 29 5.354 -10.522 -11.705 1.00 0.00 C ATOM 378 C PRO A 29 5.061 -9.075 -12.087 1.00 0.00 C ATOM 379 O PRO A 29 5.956 -8.231 -12.091 1.00 0.00 O ATOM 380 CB PRO A 29 6.368 -11.137 -12.674 1.00 0.00 C ATOM 381 CG PRO A 29 5.539 -11.837 -13.695 1.00 0.00 C ATOM 382 CD PRO A 29 4.320 -12.334 -12.968 1.00 0.00 C ATOM 0 HA PRO A 29 5.702 -10.478 -10.673 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.995 -10.371 -13.130 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.035 -11.831 -12.162 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.262 -11.161 -14.504 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.089 -12.663 -14.145 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.440 -12.331 -13.611 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.452 -13.356 -12.614 1.00 0.00 H new ATOM 390 N GLY A 30 3.801 -8.796 -12.406 1.00 0.00 N ATOM 391 CA GLY A 30 3.413 -7.450 -12.785 1.00 0.00 C ATOM 392 C GLY A 30 2.003 -7.108 -12.347 1.00 0.00 C ATOM 393 O GLY A 30 1.233 -6.521 -13.107 1.00 0.00 O ATOM 0 H GLY A 30 3.042 -9.478 -12.409 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.110 -6.737 -12.345 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.490 -7.344 -13.867 1.00 0.00 H new ATOM 397 N THR A 31 1.661 -7.477 -11.116 1.00 0.00 N ATOM 398 CA THR A 31 0.333 -7.209 -10.578 1.00 0.00 C ATOM 399 C THR A 31 0.352 -6.007 -9.641 1.00 0.00 C ATOM 400 O THR A 31 1.253 -5.845 -8.818 1.00 0.00 O ATOM 401 CB THR A 31 -0.222 -8.429 -9.820 1.00 0.00 C ATOM 402 OG1 THR A 31 -0.396 -9.529 -10.720 1.00 0.00 O ATOM 403 CG2 THR A 31 -1.550 -8.095 -9.157 1.00 0.00 C ATOM 0 H THR A 31 2.286 -7.963 -10.473 1.00 0.00 H new ATOM 0 HA THR A 31 -0.315 -6.993 -11.427 1.00 0.00 H new ATOM 0 HB THR A 31 0.494 -8.704 -9.046 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.024 -10.173 -10.331 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.923 -8.972 -8.628 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.408 -7.277 -8.450 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.271 -7.796 -9.918 1.00 0.00 H new ATOM 411 N PRO A 32 -0.666 -5.143 -9.766 1.00 0.00 N ATOM 412 CA PRO A 32 -0.790 -3.941 -8.936 1.00 0.00 C ATOM 413 C PRO A 32 -1.118 -4.270 -7.484 1.00 0.00 C ATOM 414 O PRO A 32 -2.125 -4.918 -7.197 1.00 0.00 O ATOM 415 CB PRO A 32 -1.947 -3.179 -9.587 1.00 0.00 C ATOM 416 CG PRO A 32 -2.755 -4.228 -10.270 1.00 0.00 C ATOM 417 CD PRO A 32 -1.776 -5.274 -10.725 1.00 0.00 C ATOM 0 HA PRO A 32 0.141 -3.376 -8.895 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.538 -2.646 -8.843 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.582 -2.436 -10.296 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.494 -4.654 -9.592 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.301 -3.811 -11.116 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.213 -6.272 -10.699 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.446 -5.097 -11.749 1.00 0.00 H new ATOM 425 N ILE A 33 -0.263 -3.818 -6.572 1.00 0.00 N ATOM 426 CA ILE A 33 -0.464 -4.064 -5.150 1.00 0.00 C ATOM 427 C ILE A 33 -1.335 -2.981 -4.523 1.00 0.00 C ATOM 428 O ILE A 33 -2.504 -3.213 -4.208 1.00 0.00 O ATOM 429 CB ILE A 33 0.877 -4.130 -4.395 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.794 -5.176 -5.031 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.642 -4.446 -2.925 1.00 0.00 C ATOM 432 CD1 ILE A 33 3.260 -4.956 -4.731 1.00 0.00 C ATOM 0 H ILE A 33 0.575 -3.280 -6.793 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.967 -5.027 -5.064 1.00 0.00 H new ATOM 0 HB ILE A 33 1.365 -3.158 -4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.503 -6.165 -4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.647 -5.168 -6.111 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.599 -4.489 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.022 -3.668 -2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.137 -5.408 -2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.851 -5.735 -5.213 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.566 -3.981 -5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.421 -4.994 -3.654 1.00 0.00 H new ATOM 444 N LEU A 34 -0.760 -1.797 -4.345 1.00 0.00 N ATOM 445 CA LEU A 34 -1.485 -0.675 -3.757 1.00 0.00 C ATOM 446 C LEU A 34 -0.960 0.653 -4.292 1.00 0.00 C ATOM 447 O LEU A 34 -0.029 0.684 -5.096 1.00 0.00 O ATOM 448 CB LEU A 34 -1.364 -0.707 -2.232 1.00 0.00 C ATOM 449 CG LEU A 34 0.047 -0.901 -1.675 1.00 0.00 C ATOM 450 CD1 LEU A 34 0.737 0.442 -1.491 1.00 0.00 C ATOM 451 CD2 LEU A 34 0.001 -1.663 -0.358 1.00 0.00 C ATOM 0 H LEU A 34 0.206 -1.589 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.535 -0.768 -4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.764 0.226 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.996 -1.511 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 34 0.622 -1.488 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.740 0.284 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.803 0.952 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.163 1.054 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.014 -1.792 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.591 -1.103 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.453 -2.641 -0.519 1.00 0.00 H new ATOM 463 N GLN A 35 -1.562 1.748 -3.838 1.00 0.00 N ATOM 464 CA GLN A 35 -1.153 3.079 -4.271 1.00 0.00 C ATOM 465 C GLN A 35 -0.734 3.934 -3.079 1.00 0.00 C ATOM 466 O GLN A 35 -1.494 4.102 -2.125 1.00 0.00 O ATOM 467 CB GLN A 35 -2.291 3.763 -5.029 1.00 0.00 C ATOM 468 CG GLN A 35 -2.096 5.261 -5.198 1.00 0.00 C ATOM 469 CD GLN A 35 -1.084 5.601 -6.275 1.00 0.00 C ATOM 470 OE1 GLN A 35 -0.280 4.758 -6.674 1.00 0.00 O ATOM 471 NE2 GLN A 35 -1.119 6.840 -6.751 1.00 0.00 N ATOM 0 H GLN A 35 -2.334 1.740 -3.171 1.00 0.00 H new ATOM 0 HA GLN A 35 -0.296 2.970 -4.936 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.388 3.304 -6.013 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.227 3.584 -4.500 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.052 5.722 -5.445 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.770 5.690 -4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.803 7.506 -6.391 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.462 7.126 -7.477 1.00 0.00 H new ATOM 480 N LEU A 36 0.480 4.471 -3.141 1.00 0.00 N ATOM 481 CA LEU A 36 1.001 5.309 -2.067 1.00 0.00 C ATOM 482 C LEU A 36 0.721 6.783 -2.341 1.00 0.00 C ATOM 483 O LEU A 36 1.182 7.337 -3.339 1.00 0.00 O ATOM 484 CB LEU A 36 2.505 5.086 -1.903 1.00 0.00 C ATOM 485 CG LEU A 36 2.949 3.639 -1.678 1.00 0.00 C ATOM 486 CD1 LEU A 36 4.369 3.432 -2.181 1.00 0.00 C ATOM 487 CD2 LEU A 36 2.843 3.272 -0.205 1.00 0.00 C ATOM 0 H LEU A 36 1.121 4.341 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 36 0.495 5.028 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.007 5.465 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.851 5.686 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 36 2.287 2.983 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.667 2.397 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.413 3.653 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.046 4.097 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.163 2.240 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.481 3.933 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.809 3.380 0.123 1.00 0.00 H new ATOM 499 N ARG A 37 -0.036 7.412 -1.448 1.00 0.00 N ATOM 500 CA ARG A 37 -0.376 8.823 -1.594 1.00 0.00 C ATOM 501 C ARG A 37 0.273 9.655 -0.492 1.00 0.00 C ATOM 502 O ARG A 37 0.631 9.134 0.564 1.00 0.00 O ATOM 503 CB ARG A 37 -1.894 9.009 -1.561 1.00 0.00 C ATOM 504 CG ARG A 37 -2.547 8.931 -2.931 1.00 0.00 C ATOM 505 CD ARG A 37 -2.203 10.144 -3.781 1.00 0.00 C ATOM 506 NE ARG A 37 -3.136 11.247 -3.564 1.00 0.00 N ATOM 507 CZ ARG A 37 -4.388 11.249 -4.006 1.00 0.00 C ATOM 508 NH1 ARG A 37 -4.856 10.211 -4.687 1.00 0.00 N ATOM 509 NH2 ARG A 37 -5.176 12.290 -3.768 1.00 0.00 N ATOM 0 H ARG A 37 -0.425 6.968 -0.616 1.00 0.00 H new ATOM 0 HA ARG A 37 0.005 9.165 -2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.331 8.247 -0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.123 9.976 -1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.220 8.024 -3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.629 8.860 -2.816 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.191 10.474 -3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.212 9.863 -4.834 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.807 12.061 -3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.254 9.409 -4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.818 10.215 -5.025 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.820 13.090 -3.245 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.138 12.290 -4.108 1.00 0.00 H new ATOM 523 N ALA A 38 0.422 10.951 -0.747 1.00 0.00 N ATOM 524 CA ALA A 38 1.027 11.855 0.223 1.00 0.00 C ATOM 525 C ALA A 38 0.183 13.113 0.401 1.00 0.00 C ATOM 526 O ALA A 38 0.710 14.225 0.441 1.00 0.00 O ATOM 527 CB ALA A 38 2.440 12.222 -0.206 1.00 0.00 C ATOM 0 H ALA A 38 0.132 11.398 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 38 1.073 11.340 1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.879 12.898 0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.045 11.318 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.409 12.713 -1.178 1.00 0.00 H new ATOM 533 N ALA A 39 -1.129 12.930 0.507 1.00 0.00 N ATOM 534 CA ALA A 39 -2.045 14.050 0.682 1.00 0.00 C ATOM 535 C ALA A 39 -1.412 15.149 1.529 1.00 0.00 C ATOM 536 O ALA A 39 -0.555 14.882 2.371 1.00 0.00 O ATOM 537 CB ALA A 39 -3.344 13.575 1.316 1.00 0.00 C ATOM 0 H ALA A 39 -1.581 12.016 0.475 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.264 14.466 -0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.019 14.422 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.812 12.830 0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.133 13.132 2.290 1.00 0.00 H new ATOM 543 N ASP A 40 -1.840 16.386 1.299 1.00 0.00 N ATOM 544 CA ASP A 40 -1.315 17.526 2.041 1.00 0.00 C ATOM 545 C ASP A 40 -1.749 17.470 3.503 1.00 0.00 C ATOM 546 O ASP A 40 -2.583 18.261 3.945 1.00 0.00 O ATOM 547 CB ASP A 40 -1.787 18.836 1.407 1.00 0.00 C ATOM 548 CG ASP A 40 -3.186 18.729 0.832 1.00 0.00 C ATOM 549 OD1 ASP A 40 -4.036 18.066 1.461 1.00 0.00 O ATOM 550 OD2 ASP A 40 -3.430 19.309 -0.247 1.00 0.00 O ATOM 0 H ASP A 40 -2.549 16.624 0.605 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.227 17.483 2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.765 19.628 2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.094 19.125 0.617 1.00 0.00 H new ATOM 555 N LEU A 41 -1.179 16.529 4.248 1.00 0.00 N ATOM 556 CA LEU A 41 -1.508 16.368 5.660 1.00 0.00 C ATOM 557 C LEU A 41 -0.673 17.308 6.524 1.00 0.00 C ATOM 558 O LEU A 41 -1.107 17.734 7.594 1.00 0.00 O ATOM 559 CB LEU A 41 -1.280 14.919 6.095 1.00 0.00 C ATOM 560 CG LEU A 41 -1.950 13.847 5.235 1.00 0.00 C ATOM 561 CD1 LEU A 41 -1.137 12.562 5.255 1.00 0.00 C ATOM 562 CD2 LEU A 41 -3.371 13.589 5.716 1.00 0.00 C ATOM 0 H LEU A 41 -0.487 15.866 3.898 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.560 16.620 5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.207 14.729 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.634 14.808 7.120 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.995 14.208 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.629 11.810 4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.139 12.757 4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.060 12.196 6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.833 12.823 5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.349 13.249 6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.951 14.510 5.649 1.00 0.00 H new ATOM 574 N ASP A 42 0.527 17.628 6.051 1.00 0.00 N ATOM 575 CA ASP A 42 1.422 18.521 6.779 1.00 0.00 C ATOM 576 C ASP A 42 1.237 19.965 6.323 1.00 0.00 C ATOM 577 O ASP A 42 2.173 20.764 6.363 1.00 0.00 O ATOM 578 CB ASP A 42 2.876 18.092 6.579 1.00 0.00 C ATOM 579 CG ASP A 42 3.282 16.967 7.511 1.00 0.00 C ATOM 580 OD1 ASP A 42 2.693 16.864 8.608 1.00 0.00 O ATOM 581 OD2 ASP A 42 4.187 16.190 7.144 1.00 0.00 O ATOM 0 H ASP A 42 0.902 17.283 5.168 1.00 0.00 H new ATOM 0 HA ASP A 42 1.175 18.459 7.839 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.019 17.774 5.546 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.530 18.949 6.742 1.00 0.00 H new ATOM 586 N VAL A 43 0.024 20.293 5.891 1.00 0.00 N ATOM 587 CA VAL A 43 -0.284 21.641 5.428 1.00 0.00 C ATOM 588 C VAL A 43 0.863 22.215 4.604 1.00 0.00 C ATOM 589 O VAL A 43 1.318 23.331 4.847 1.00 0.00 O ATOM 590 CB VAL A 43 -0.577 22.586 6.608 1.00 0.00 C ATOM 591 CG1 VAL A 43 -1.162 23.898 6.109 1.00 0.00 C ATOM 592 CG2 VAL A 43 -1.514 21.920 7.604 1.00 0.00 C ATOM 0 H VAL A 43 -0.762 19.644 5.852 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.174 21.565 4.803 1.00 0.00 H new ATOM 0 HB VAL A 43 0.362 22.805 7.117 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.363 24.553 6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.452 24.381 5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.091 23.702 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.710 22.602 8.431 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.453 21.670 7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.052 21.010 7.986 1.00 0.00 H new ATOM 602 N GLY A 44 1.327 21.442 3.626 1.00 0.00 N ATOM 603 CA GLY A 44 2.418 21.890 2.780 1.00 0.00 C ATOM 604 C GLY A 44 2.554 21.058 1.520 1.00 0.00 C ATOM 605 O GLY A 44 2.145 21.483 0.440 1.00 0.00 O ATOM 0 H GLY A 44 0.967 20.514 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.258 22.933 2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.351 21.847 3.342 1.00 0.00 H new ATOM 609 N VAL A 45 3.132 19.869 1.658 1.00 0.00 N ATOM 610 CA VAL A 45 3.322 18.975 0.521 1.00 0.00 C ATOM 611 C VAL A 45 2.032 18.818 -0.275 1.00 0.00 C ATOM 612 O VAL A 45 0.983 18.492 0.280 1.00 0.00 O ATOM 613 CB VAL A 45 3.804 17.585 0.975 1.00 0.00 C ATOM 614 CG1 VAL A 45 3.722 16.590 -0.172 1.00 0.00 C ATOM 615 CG2 VAL A 45 5.222 17.666 1.521 1.00 0.00 C ATOM 0 H VAL A 45 3.477 19.502 2.545 1.00 0.00 H new ATOM 0 HA VAL A 45 4.085 19.427 -0.113 1.00 0.00 H new ATOM 0 HB VAL A 45 3.150 17.236 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.067 15.613 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.690 16.512 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.351 16.930 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.547 16.675 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.891 18.036 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.245 18.345 2.373 1.00 0.00 H new ATOM 625 N ASN A 46 2.117 19.051 -1.581 1.00 0.00 N ATOM 626 CA ASN A 46 0.955 18.936 -2.456 1.00 0.00 C ATOM 627 C ASN A 46 0.681 17.476 -2.805 1.00 0.00 C ATOM 628 O ASN A 46 -0.471 17.048 -2.868 1.00 0.00 O ATOM 629 CB ASN A 46 1.172 19.746 -3.736 1.00 0.00 C ATOM 630 CG ASN A 46 -0.117 19.973 -4.501 1.00 0.00 C ATOM 631 OD1 ASN A 46 -1.019 20.665 -4.028 1.00 0.00 O ATOM 632 ND2 ASN A 46 -0.210 19.389 -5.690 1.00 0.00 N ATOM 0 H ASN A 46 2.978 19.321 -2.057 1.00 0.00 H new ATOM 0 HA ASN A 46 0.090 19.334 -1.925 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.616 20.709 -3.483 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.884 19.225 -4.376 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.054 19.505 -6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.563 18.824 -6.043 1.00 0.00 H new ATOM 639 N GLY A 47 1.748 16.716 -3.030 1.00 0.00 N ATOM 640 CA GLY A 47 1.601 15.312 -3.369 1.00 0.00 C ATOM 641 C GLY A 47 2.735 14.804 -4.236 1.00 0.00 C ATOM 642 O GLY A 47 3.013 13.605 -4.264 1.00 0.00 O ATOM 0 H GLY A 47 2.712 17.047 -2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.556 14.723 -2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.655 15.164 -3.890 1.00 0.00 H new ATOM 646 N GLN A 48 3.391 15.716 -4.946 1.00 0.00 N ATOM 647 CA GLN A 48 4.500 15.352 -5.820 1.00 0.00 C ATOM 648 C GLN A 48 5.708 14.898 -5.006 1.00 0.00 C ATOM 649 O GLN A 48 6.711 15.606 -4.920 1.00 0.00 O ATOM 650 CB GLN A 48 4.885 16.535 -6.710 1.00 0.00 C ATOM 651 CG GLN A 48 4.897 17.868 -5.979 1.00 0.00 C ATOM 652 CD GLN A 48 5.700 18.926 -6.710 1.00 0.00 C ATOM 653 OE1 GLN A 48 6.921 19.004 -6.567 1.00 0.00 O ATOM 654 NE2 GLN A 48 5.018 19.748 -7.498 1.00 0.00 N ATOM 0 H GLN A 48 3.174 16.713 -4.933 1.00 0.00 H new ATOM 0 HA GLN A 48 4.177 14.523 -6.450 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.873 16.354 -7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.186 16.594 -7.544 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.873 18.218 -5.852 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.312 17.727 -4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.007 19.647 -7.587 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.505 20.480 -8.015 1.00 0.00 H new ATOM 663 N ILE A 49 5.603 13.715 -4.411 1.00 0.00 N ATOM 664 CA ILE A 49 6.687 13.167 -3.606 1.00 0.00 C ATOM 665 C ILE A 49 7.310 11.948 -4.278 1.00 0.00 C ATOM 666 O ILE A 49 6.605 11.110 -4.839 1.00 0.00 O ATOM 667 CB ILE A 49 6.199 12.770 -2.200 1.00 0.00 C ATOM 668 CG1 ILE A 49 5.968 14.019 -1.346 1.00 0.00 C ATOM 669 CG2 ILE A 49 7.204 11.844 -1.532 1.00 0.00 C ATOM 670 CD1 ILE A 49 7.236 14.781 -1.034 1.00 0.00 C ATOM 0 H ILE A 49 4.778 13.118 -4.471 1.00 0.00 H new ATOM 0 HA ILE A 49 7.438 13.951 -3.514 1.00 0.00 H new ATOM 0 HB ILE A 49 5.253 12.238 -2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.275 14.681 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.490 13.727 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.845 11.573 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.324 10.943 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.164 12.352 -1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.996 15.653 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.923 14.135 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.704 15.104 -1.964 1.00 0.00 H new ATOM 682 N GLU A 50 8.634 11.856 -4.214 1.00 0.00 N ATOM 683 CA GLU A 50 9.352 10.738 -4.817 1.00 0.00 C ATOM 684 C GLU A 50 9.277 9.501 -3.926 1.00 0.00 C ATOM 685 O GLU A 50 10.019 9.379 -2.951 1.00 0.00 O ATOM 686 CB GLU A 50 10.814 11.115 -5.063 1.00 0.00 C ATOM 687 CG GLU A 50 11.434 10.402 -6.253 1.00 0.00 C ATOM 688 CD GLU A 50 12.832 10.899 -6.567 1.00 0.00 C ATOM 689 OE1 GLU A 50 13.058 12.124 -6.489 1.00 0.00 O ATOM 690 OE2 GLU A 50 13.699 10.061 -6.891 1.00 0.00 O ATOM 0 H GLU A 50 9.231 12.541 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 50 8.879 10.507 -5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.882 12.192 -5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.395 10.886 -4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.470 9.331 -6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.798 10.541 -7.127 1.00 0.00 H new ATOM 697 N TYR A 51 8.376 8.587 -4.268 1.00 0.00 N ATOM 698 CA TYR A 51 8.201 7.360 -3.499 1.00 0.00 C ATOM 699 C TYR A 51 9.211 6.300 -3.928 1.00 0.00 C ATOM 700 O TYR A 51 8.948 5.504 -4.830 1.00 0.00 O ATOM 701 CB TYR A 51 6.779 6.825 -3.670 1.00 0.00 C ATOM 702 CG TYR A 51 5.721 7.905 -3.672 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.190 8.387 -2.482 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.253 8.444 -4.864 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.223 9.373 -2.478 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.287 9.432 -4.870 1.00 0.00 C ATOM 707 CZ TYR A 51 3.775 9.893 -3.675 1.00 0.00 C ATOM 708 OH TYR A 51 2.812 10.876 -3.676 1.00 0.00 O ATOM 0 H TYR A 51 7.755 8.672 -5.073 1.00 0.00 H new ATOM 0 HA TYR A 51 8.370 7.592 -2.448 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.719 6.268 -4.605 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.566 6.121 -2.866 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.540 7.983 -1.543 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.651 8.085 -5.802 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.820 9.735 -1.544 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.935 9.841 -5.805 1.00 0.00 H new ATOM 0 HH TYR A 51 3.218 11.731 -3.929 1.00 0.00 H new ATOM 718 N VAL A 52 10.369 6.296 -3.274 1.00 0.00 N ATOM 719 CA VAL A 52 11.419 5.334 -3.585 1.00 0.00 C ATOM 720 C VAL A 52 11.514 4.258 -2.509 1.00 0.00 C ATOM 721 O VAL A 52 10.892 4.365 -1.452 1.00 0.00 O ATOM 722 CB VAL A 52 12.788 6.024 -3.728 1.00 0.00 C ATOM 723 CG1 VAL A 52 12.794 6.954 -4.931 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.138 6.781 -2.456 1.00 0.00 C ATOM 0 H VAL A 52 10.603 6.948 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 52 11.153 4.871 -4.535 1.00 0.00 H new ATOM 0 HB VAL A 52 13.547 5.258 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.770 7.433 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.591 6.380 -5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.025 7.717 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.109 7.263 -2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.378 7.538 -2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.178 6.085 -1.618 1.00 0.00 H new ATOM 734 N PHE A 53 12.298 3.221 -2.784 1.00 0.00 N ATOM 735 CA PHE A 53 12.475 2.124 -1.840 1.00 0.00 C ATOM 736 C PHE A 53 13.431 2.520 -0.719 1.00 0.00 C ATOM 737 O PHE A 53 14.605 2.800 -0.960 1.00 0.00 O ATOM 738 CB PHE A 53 13.003 0.882 -2.561 1.00 0.00 C ATOM 739 CG PHE A 53 11.917 -0.010 -3.092 1.00 0.00 C ATOM 740 CD1 PHE A 53 10.947 -0.521 -2.245 1.00 0.00 C ATOM 741 CD2 PHE A 53 11.868 -0.338 -4.437 1.00 0.00 C ATOM 742 CE1 PHE A 53 9.946 -1.342 -2.730 1.00 0.00 C ATOM 743 CE2 PHE A 53 10.870 -1.158 -4.928 1.00 0.00 C ATOM 744 CZ PHE A 53 9.908 -1.662 -4.073 1.00 0.00 C ATOM 0 H PHE A 53 12.821 3.117 -3.653 1.00 0.00 H new ATOM 0 HA PHE A 53 11.504 1.895 -1.402 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.641 1.195 -3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.628 0.311 -1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.973 -0.275 -1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.618 0.051 -5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.195 -1.733 -2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.842 -1.405 -5.979 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.128 -2.305 -4.454 1.00 0.00 H new ATOM 754 N GLY A 54 12.919 2.542 0.508 1.00 0.00 N ATOM 755 CA GLY A 54 13.740 2.906 1.648 1.00 0.00 C ATOM 756 C GLY A 54 14.505 1.725 2.212 1.00 0.00 C ATOM 757 O GLY A 54 15.409 1.197 1.567 1.00 0.00 O ATOM 0 H GLY A 54 11.950 2.314 0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.444 3.683 1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.107 3.330 2.427 1.00 0.00 H new ATOM 761 N ALA A 55 14.142 1.311 3.422 1.00 0.00 N ATOM 762 CA ALA A 55 14.800 0.185 4.073 1.00 0.00 C ATOM 763 C ALA A 55 14.264 -1.142 3.547 1.00 0.00 C ATOM 764 O ALA A 55 13.845 -2.003 4.320 1.00 0.00 O ATOM 765 CB ALA A 55 14.619 0.269 5.582 1.00 0.00 C ATOM 0 H ALA A 55 13.396 1.739 3.971 1.00 0.00 H new ATOM 0 HA ALA A 55 15.864 0.234 3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.115 -0.578 6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.056 1.198 5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.556 0.248 5.823 1.00 0.00 H new ATOM 771 N ALA A 56 14.281 -1.301 2.228 1.00 0.00 N ATOM 772 CA ALA A 56 13.799 -2.524 1.599 1.00 0.00 C ATOM 773 C ALA A 56 14.960 -3.400 1.139 1.00 0.00 C ATOM 774 O ALA A 56 15.764 -2.992 0.300 1.00 0.00 O ATOM 775 CB ALA A 56 12.889 -2.191 0.426 1.00 0.00 C ATOM 0 H ALA A 56 14.624 -0.597 1.574 1.00 0.00 H new ATOM 0 HA ALA A 56 13.228 -3.083 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.536 -3.114 -0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.035 -1.613 0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.442 -1.607 -0.309 1.00 0.00 H new ATOM 781 N THR A 57 15.042 -4.605 1.693 1.00 0.00 N ATOM 782 CA THR A 57 16.105 -5.537 1.341 1.00 0.00 C ATOM 783 C THR A 57 16.202 -5.716 -0.169 1.00 0.00 C ATOM 784 O THR A 57 15.191 -5.709 -0.870 1.00 0.00 O ATOM 785 CB THR A 57 15.885 -6.914 1.996 1.00 0.00 C ATOM 786 OG1 THR A 57 16.915 -7.821 1.588 1.00 0.00 O ATOM 787 CG2 THR A 57 14.525 -7.481 1.620 1.00 0.00 C ATOM 0 H THR A 57 14.384 -4.959 2.388 1.00 0.00 H new ATOM 0 HA THR A 57 17.036 -5.109 1.714 1.00 0.00 H new ATOM 0 HB THR A 57 15.921 -6.787 3.078 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.769 -8.693 2.010 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.393 -8.453 2.094 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.742 -6.803 1.958 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.465 -7.594 0.538 1.00 0.00 H new ATOM 795 N GLU A 58 17.426 -5.875 -0.664 1.00 0.00 N ATOM 796 CA GLU A 58 17.653 -6.055 -2.094 1.00 0.00 C ATOM 797 C GLU A 58 16.681 -7.078 -2.675 1.00 0.00 C ATOM 798 O GLU A 58 16.029 -6.825 -3.688 1.00 0.00 O ATOM 799 CB GLU A 58 19.094 -6.502 -2.351 1.00 0.00 C ATOM 800 CG GLU A 58 19.469 -6.528 -3.823 1.00 0.00 C ATOM 801 CD GLU A 58 20.827 -7.158 -4.068 1.00 0.00 C ATOM 802 OE1 GLU A 58 20.893 -8.399 -4.188 1.00 0.00 O ATOM 803 OE2 GLU A 58 21.823 -6.409 -4.140 1.00 0.00 O ATOM 0 H GLU A 58 18.274 -5.883 -0.097 1.00 0.00 H new ATOM 0 HA GLU A 58 17.483 -5.098 -2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.773 -5.832 -1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 58 19.237 -7.497 -1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.711 -7.081 -4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 58 19.469 -5.510 -4.212 1.00 0.00 H new ATOM 810 N SER A 59 16.589 -8.234 -2.025 1.00 0.00 N ATOM 811 CA SER A 59 15.700 -9.297 -2.479 1.00 0.00 C ATOM 812 C SER A 59 14.303 -8.753 -2.764 1.00 0.00 C ATOM 813 O SER A 59 13.653 -9.154 -3.729 1.00 0.00 O ATOM 814 CB SER A 59 15.622 -10.408 -1.431 1.00 0.00 C ATOM 815 OG SER A 59 16.619 -11.390 -1.654 1.00 0.00 O ATOM 0 H SER A 59 17.119 -8.458 -1.183 1.00 0.00 H new ATOM 0 HA SER A 59 16.107 -9.707 -3.403 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.743 -9.982 -0.435 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.636 -10.872 -1.461 1.00 0.00 H new ATOM 0 HG SER A 59 16.549 -12.088 -0.970 1.00 0.00 H new ATOM 821 N VAL A 60 13.848 -7.835 -1.916 1.00 0.00 N ATOM 822 CA VAL A 60 12.530 -7.234 -2.076 1.00 0.00 C ATOM 823 C VAL A 60 12.558 -6.116 -3.112 1.00 0.00 C ATOM 824 O VAL A 60 11.521 -5.732 -3.654 1.00 0.00 O ATOM 825 CB VAL A 60 12.005 -6.670 -0.742 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.876 -5.681 -0.988 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.548 -7.798 0.169 1.00 0.00 C ATOM 0 H VAL A 60 14.373 -7.492 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 60 11.861 -8.024 -2.417 1.00 0.00 H new ATOM 0 HB VAL A 60 12.818 -6.140 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.518 -5.293 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.241 -4.857 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.059 -6.183 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.180 -7.382 1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.749 -8.358 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.386 -8.464 0.372 1.00 0.00 H new ATOM 837 N ARG A 61 13.751 -5.597 -3.383 1.00 0.00 N ATOM 838 CA ARG A 61 13.914 -4.522 -4.354 1.00 0.00 C ATOM 839 C ARG A 61 13.733 -5.043 -5.777 1.00 0.00 C ATOM 840 O ARG A 61 13.306 -4.308 -6.668 1.00 0.00 O ATOM 841 CB ARG A 61 15.294 -3.878 -4.207 1.00 0.00 C ATOM 842 CG ARG A 61 15.347 -2.786 -3.152 1.00 0.00 C ATOM 843 CD ARG A 61 16.500 -1.826 -3.401 1.00 0.00 C ATOM 844 NE ARG A 61 16.161 -0.809 -4.393 1.00 0.00 N ATOM 845 CZ ARG A 61 17.065 -0.073 -5.029 1.00 0.00 C ATOM 846 NH1 ARG A 61 18.356 -0.240 -4.778 1.00 0.00 N ATOM 847 NH2 ARG A 61 16.678 0.832 -5.919 1.00 0.00 N ATOM 0 H ARG A 61 14.619 -5.904 -2.944 1.00 0.00 H new ATOM 0 HA ARG A 61 13.148 -3.771 -4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 61 16.021 -4.650 -3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.594 -3.459 -5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.407 -2.234 -3.150 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.454 -3.237 -2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.777 -1.341 -2.465 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.372 -2.386 -3.739 1.00 0.00 H new ATOM 0 HE ARG A 61 15.176 -0.656 -4.609 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.657 -0.935 -4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.048 0.327 -5.268 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.686 0.963 -6.115 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.373 1.397 -6.407 1.00 0.00 H new ATOM 861 N ARG A 62 14.061 -6.314 -5.983 1.00 0.00 N ATOM 862 CA ARG A 62 13.936 -6.932 -7.297 1.00 0.00 C ATOM 863 C ARG A 62 12.645 -7.738 -7.399 1.00 0.00 C ATOM 864 O ARG A 62 12.162 -8.023 -8.496 1.00 0.00 O ATOM 865 CB ARG A 62 15.138 -7.837 -7.575 1.00 0.00 C ATOM 866 CG ARG A 62 14.946 -9.268 -7.099 1.00 0.00 C ATOM 867 CD ARG A 62 15.427 -9.448 -5.668 1.00 0.00 C ATOM 868 NE ARG A 62 16.846 -9.788 -5.606 1.00 0.00 N ATOM 869 CZ ARG A 62 17.316 -11.016 -5.797 1.00 0.00 C ATOM 870 NH1 ARG A 62 16.485 -12.014 -6.060 1.00 0.00 N ATOM 871 NH2 ARG A 62 18.621 -11.246 -5.724 1.00 0.00 N ATOM 0 H ARG A 62 14.415 -6.936 -5.256 1.00 0.00 H new ATOM 0 HA ARG A 62 13.907 -6.137 -8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.337 -7.843 -8.647 1.00 0.00 H new ATOM 0 HB3 ARG A 62 16.019 -7.417 -7.089 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.892 -9.537 -7.166 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.490 -9.947 -7.755 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.249 -8.530 -5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.845 -10.233 -5.186 1.00 0.00 H new ATOM 0 HE ARG A 62 17.512 -9.042 -5.405 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.481 -11.841 -6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.849 -12.956 -6.206 1.00 0.00 H new ATOM 0 HH21 ARG A 62 19.263 -10.480 -5.521 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.982 -12.189 -5.871 1.00 0.00 H new ATOM 885 N LEU A 63 12.090 -8.104 -6.248 1.00 0.00 N ATOM 886 CA LEU A 63 10.854 -8.878 -6.207 1.00 0.00 C ATOM 887 C LEU A 63 9.637 -7.970 -6.356 1.00 0.00 C ATOM 888 O LEU A 63 8.588 -8.395 -6.842 1.00 0.00 O ATOM 889 CB LEU A 63 10.763 -9.660 -4.895 1.00 0.00 C ATOM 890 CG LEU A 63 9.392 -10.246 -4.557 1.00 0.00 C ATOM 891 CD1 LEU A 63 9.105 -11.466 -5.418 1.00 0.00 C ATOM 892 CD2 LEU A 63 9.314 -10.603 -3.080 1.00 0.00 C ATOM 0 H LEU A 63 12.476 -7.877 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 63 10.865 -9.579 -7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.486 -10.475 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.065 -9.001 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 63 8.634 -9.492 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.125 -11.869 -5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.117 -11.180 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.867 -12.225 -5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.331 -11.019 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.082 -11.340 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.473 -9.707 -2.480 1.00 0.00 H new ATOM 904 N LEU A 64 9.785 -6.718 -5.939 1.00 0.00 N ATOM 905 CA LEU A 64 8.699 -5.748 -6.028 1.00 0.00 C ATOM 906 C LEU A 64 9.179 -4.451 -6.671 1.00 0.00 C ATOM 907 O LEU A 64 10.262 -3.955 -6.359 1.00 0.00 O ATOM 908 CB LEU A 64 8.130 -5.461 -4.638 1.00 0.00 C ATOM 909 CG LEU A 64 7.568 -6.665 -3.881 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.726 -6.473 -2.380 1.00 0.00 C ATOM 911 CD2 LEU A 64 6.106 -6.886 -4.241 1.00 0.00 C ATOM 0 H LEU A 64 10.647 -6.350 -5.536 1.00 0.00 H new ATOM 0 HA LEU A 64 7.915 -6.174 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.916 -5.010 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.339 -4.718 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 64 8.132 -7.550 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.321 -7.340 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.783 -6.364 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.188 -5.577 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.722 -7.747 -3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.528 -6.000 -3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.019 -7.069 -5.312 1.00 0.00 H new ATOM 923 N ARG A 65 8.365 -3.906 -7.570 1.00 0.00 N ATOM 924 CA ARG A 65 8.706 -2.665 -8.256 1.00 0.00 C ATOM 925 C ARG A 65 7.861 -1.506 -7.736 1.00 0.00 C ATOM 926 O ARG A 65 6.639 -1.614 -7.629 1.00 0.00 O ATOM 927 CB ARG A 65 8.505 -2.821 -9.765 1.00 0.00 C ATOM 928 CG ARG A 65 8.886 -1.583 -10.560 1.00 0.00 C ATOM 929 CD ARG A 65 8.668 -1.790 -12.051 1.00 0.00 C ATOM 930 NE ARG A 65 9.179 -0.672 -12.840 1.00 0.00 N ATOM 931 CZ ARG A 65 10.471 -0.459 -13.061 1.00 0.00 C ATOM 932 NH1 ARG A 65 11.379 -1.284 -12.557 1.00 0.00 N ATOM 933 NH2 ARG A 65 10.858 0.581 -13.789 1.00 0.00 N ATOM 0 H ARG A 65 7.466 -4.304 -7.840 1.00 0.00 H new ATOM 0 HA ARG A 65 9.755 -2.445 -8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.098 -3.665 -10.117 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.460 -3.061 -9.961 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.294 -0.734 -10.219 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.932 -1.338 -10.375 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.161 -2.710 -12.365 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.603 -1.916 -12.248 1.00 0.00 H new ATOM 0 HE ARG A 65 8.507 -0.019 -13.243 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.086 -2.085 -11.998 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.371 -1.117 -12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.163 1.217 -14.179 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.851 0.744 -13.958 1.00 0.00 H new ATOM 947 N LEU A 66 8.521 -0.399 -7.413 1.00 0.00 N ATOM 948 CA LEU A 66 7.831 0.781 -6.904 1.00 0.00 C ATOM 949 C LEU A 66 8.059 1.982 -7.816 1.00 0.00 C ATOM 950 O LEU A 66 9.058 2.049 -8.532 1.00 0.00 O ATOM 951 CB LEU A 66 8.310 1.104 -5.487 1.00 0.00 C ATOM 952 CG LEU A 66 7.901 2.471 -4.936 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.388 2.570 -4.822 1.00 0.00 C ATOM 954 CD2 LEU A 66 8.557 2.718 -3.585 1.00 0.00 C ATOM 0 H LEU A 66 9.532 -0.294 -7.495 1.00 0.00 H new ATOM 0 HA LEU A 66 6.763 0.565 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.932 0.335 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.398 1.038 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 66 8.243 3.239 -5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.116 3.549 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.939 2.437 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.022 1.794 -4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.255 3.695 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.245 1.945 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.641 2.691 -3.696 1.00 0.00 H new ATOM 966 N ASP A 67 7.128 2.929 -7.784 1.00 0.00 N ATOM 967 CA ASP A 67 7.229 4.129 -8.605 1.00 0.00 C ATOM 968 C ASP A 67 7.296 5.380 -7.734 1.00 0.00 C ATOM 969 O ASP A 67 6.791 5.394 -6.613 1.00 0.00 O ATOM 970 CB ASP A 67 6.037 4.221 -9.560 1.00 0.00 C ATOM 971 CG ASP A 67 6.056 3.135 -10.617 1.00 0.00 C ATOM 972 OD1 ASP A 67 6.077 1.944 -10.242 1.00 0.00 O ATOM 973 OD2 ASP A 67 6.052 3.475 -11.819 1.00 0.00 O ATOM 0 H ASP A 67 6.294 2.888 -7.198 1.00 0.00 H new ATOM 0 HA ASP A 67 8.148 4.064 -9.188 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.111 4.151 -8.989 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.039 5.197 -10.046 1.00 0.00 H new ATOM 978 N GLU A 68 7.926 6.427 -8.259 1.00 0.00 N ATOM 979 CA GLU A 68 8.061 7.681 -7.527 1.00 0.00 C ATOM 980 C GLU A 68 7.357 8.818 -8.262 1.00 0.00 C ATOM 981 O GLU A 68 6.971 9.819 -7.657 1.00 0.00 O ATOM 982 CB GLU A 68 9.539 8.025 -7.329 1.00 0.00 C ATOM 983 CG GLU A 68 10.282 8.284 -8.629 1.00 0.00 C ATOM 984 CD GLU A 68 11.772 8.024 -8.510 1.00 0.00 C ATOM 985 OE1 GLU A 68 12.148 7.011 -7.884 1.00 0.00 O ATOM 986 OE2 GLU A 68 12.560 8.832 -9.044 1.00 0.00 O ATOM 0 H GLU A 68 8.350 6.431 -9.187 1.00 0.00 H new ATOM 0 HA GLU A 68 7.591 7.555 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.616 8.907 -6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.026 7.207 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.868 7.650 -9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.120 9.317 -8.936 1.00 0.00 H new ATOM 993 N THR A 69 7.192 8.657 -9.571 1.00 0.00 N ATOM 994 CA THR A 69 6.537 9.669 -10.390 1.00 0.00 C ATOM 995 C THR A 69 5.022 9.609 -10.230 1.00 0.00 C ATOM 996 O THR A 69 4.332 10.616 -10.385 1.00 0.00 O ATOM 997 CB THR A 69 6.892 9.503 -11.879 1.00 0.00 C ATOM 998 OG1 THR A 69 6.249 10.523 -12.653 1.00 0.00 O ATOM 999 CG2 THR A 69 6.468 8.132 -12.387 1.00 0.00 C ATOM 0 H THR A 69 7.503 7.834 -10.087 1.00 0.00 H new ATOM 0 HA THR A 69 6.898 10.638 -10.045 1.00 0.00 H new ATOM 0 HB THR A 69 7.973 9.594 -11.984 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.481 10.411 -13.599 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.729 8.038 -13.441 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.980 7.358 -11.816 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.391 8.017 -12.268 1.00 0.00 H new ATOM 1007 N SER A 70 4.511 8.422 -9.919 1.00 0.00 N ATOM 1008 CA SER A 70 3.077 8.230 -9.741 1.00 0.00 C ATOM 1009 C SER A 70 2.756 7.825 -8.305 1.00 0.00 C ATOM 1010 O SER A 70 1.737 8.229 -7.747 1.00 0.00 O ATOM 1011 CB SER A 70 2.559 7.165 -10.710 1.00 0.00 C ATOM 1012 OG SER A 70 3.085 5.888 -10.394 1.00 0.00 O ATOM 0 H SER A 70 5.069 7.579 -9.785 1.00 0.00 H new ATOM 0 HA SER A 70 2.581 9.177 -9.953 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.470 7.133 -10.671 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.834 7.433 -11.730 1.00 0.00 H new ATOM 0 HG SER A 70 2.737 5.225 -11.027 1.00 0.00 H new ATOM 1018 N GLY A 71 3.636 7.023 -7.712 1.00 0.00 N ATOM 1019 CA GLY A 71 3.431 6.576 -6.347 1.00 0.00 C ATOM 1020 C GLY A 71 2.642 5.284 -6.273 1.00 0.00 C ATOM 1021 O GLY A 71 1.910 5.051 -5.312 1.00 0.00 O ATOM 0 H GLY A 71 4.487 6.675 -8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.398 6.436 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.906 7.351 -5.789 1.00 0.00 H new ATOM 1025 N TRP A 72 2.791 4.443 -7.290 1.00 0.00 N ATOM 1026 CA TRP A 72 2.086 3.167 -7.336 1.00 0.00 C ATOM 1027 C TRP A 72 3.014 2.018 -6.960 1.00 0.00 C ATOM 1028 O TRP A 72 4.237 2.151 -7.015 1.00 0.00 O ATOM 1029 CB TRP A 72 1.504 2.934 -8.732 1.00 0.00 C ATOM 1030 CG TRP A 72 0.110 3.463 -8.890 1.00 0.00 C ATOM 1031 CD1 TRP A 72 -0.250 4.686 -9.380 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -1.107 2.787 -8.557 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -1.619 4.811 -9.370 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -2.167 3.659 -8.871 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -1.404 1.529 -8.026 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -3.500 3.312 -8.669 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.728 1.187 -7.826 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.763 2.075 -8.148 1.00 0.00 C ATOM 0 H TRP A 72 3.393 4.621 -8.094 1.00 0.00 H new ATOM 0 HA TRP A 72 1.272 3.203 -6.612 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.151 3.407 -9.471 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.506 1.865 -8.945 1.00 0.00 H new ATOM 0 HD1 TRP A 72 0.439 5.443 -9.724 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.142 5.629 -9.683 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.613 0.837 -7.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -4.299 3.996 -8.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.969 0.218 -7.414 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.788 1.777 -7.982 1.00 0.00 H new ATOM 1049 N LEU A 73 2.426 0.889 -6.578 1.00 0.00 N ATOM 1050 CA LEU A 73 3.201 -0.285 -6.192 1.00 0.00 C ATOM 1051 C LEU A 73 2.662 -1.540 -6.871 1.00 0.00 C ATOM 1052 O LEU A 73 1.453 -1.769 -6.905 1.00 0.00 O ATOM 1053 CB LEU A 73 3.174 -0.461 -4.673 1.00 0.00 C ATOM 1054 CG LEU A 73 4.279 -1.336 -4.080 1.00 0.00 C ATOM 1055 CD1 LEU A 73 5.574 -0.549 -3.955 1.00 0.00 C ATOM 1056 CD2 LEU A 73 3.854 -1.887 -2.726 1.00 0.00 C ATOM 0 H LEU A 73 1.415 0.762 -6.527 1.00 0.00 H new ATOM 0 HA LEU A 73 4.231 -0.133 -6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.232 0.525 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.211 -0.888 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 73 4.452 -2.175 -4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.349 -1.188 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.887 -0.204 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.416 0.310 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.652 -2.507 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.653 -1.061 -2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.952 -2.488 -2.844 1.00 0.00 H new ATOM 1068 N SER A 74 3.568 -2.351 -7.409 1.00 0.00 N ATOM 1069 CA SER A 74 3.184 -3.582 -8.088 1.00 0.00 C ATOM 1070 C SER A 74 4.305 -4.614 -8.018 1.00 0.00 C ATOM 1071 O SER A 74 5.435 -4.296 -7.648 1.00 0.00 O ATOM 1072 CB SER A 74 2.831 -3.295 -9.549 1.00 0.00 C ATOM 1073 OG SER A 74 3.998 -3.066 -10.320 1.00 0.00 O ATOM 0 H SER A 74 4.573 -2.177 -7.387 1.00 0.00 H new ATOM 0 HA SER A 74 2.308 -3.988 -7.582 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.276 -4.136 -9.964 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.178 -2.424 -9.604 1.00 0.00 H new ATOM 0 HG SER A 74 3.746 -2.887 -11.250 1.00 0.00 H new ATOM 1079 N VAL A 75 3.984 -5.854 -8.375 1.00 0.00 N ATOM 1080 CA VAL A 75 4.963 -6.934 -8.354 1.00 0.00 C ATOM 1081 C VAL A 75 5.907 -6.843 -9.548 1.00 0.00 C ATOM 1082 O VAL A 75 5.528 -6.367 -10.619 1.00 0.00 O ATOM 1083 CB VAL A 75 4.278 -8.313 -8.359 1.00 0.00 C ATOM 1084 CG1 VAL A 75 5.313 -9.424 -8.270 1.00 0.00 C ATOM 1085 CG2 VAL A 75 3.275 -8.414 -7.219 1.00 0.00 C ATOM 0 H VAL A 75 3.053 -6.135 -8.682 1.00 0.00 H new ATOM 0 HA VAL A 75 5.535 -6.825 -7.433 1.00 0.00 H new ATOM 0 HB VAL A 75 3.738 -8.427 -9.299 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.810 -10.391 -8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.988 -9.362 -9.124 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.884 -9.316 -7.348 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.800 -9.395 -7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.790 -8.278 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.515 -7.641 -7.333 1.00 0.00 H new ATOM 1095 N LEU A 76 7.139 -7.303 -9.357 1.00 0.00 N ATOM 1096 CA LEU A 76 8.139 -7.275 -10.418 1.00 0.00 C ATOM 1097 C LEU A 76 8.519 -8.689 -10.846 1.00 0.00 C ATOM 1098 O LEU A 76 8.667 -8.970 -12.036 1.00 0.00 O ATOM 1099 CB LEU A 76 9.385 -6.519 -9.953 1.00 0.00 C ATOM 1100 CG LEU A 76 10.452 -6.264 -11.017 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.863 -5.499 -12.192 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.630 -5.506 -10.421 1.00 0.00 C ATOM 0 H LEU A 76 7.469 -7.700 -8.477 1.00 0.00 H new ATOM 0 HA LEU A 76 7.707 -6.759 -11.276 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.071 -5.558 -9.545 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.841 -7.079 -9.137 1.00 0.00 H new ATOM 0 HG LEU A 76 10.812 -7.227 -11.381 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.638 -5.327 -12.939 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.054 -6.079 -12.635 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.475 -4.542 -11.845 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.380 -5.333 -11.193 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.286 -4.549 -10.029 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.069 -6.092 -9.614 1.00 0.00 H new ATOM 1114 N HIS A 77 8.673 -9.576 -9.869 1.00 0.00 N ATOM 1115 CA HIS A 77 9.032 -10.963 -10.145 1.00 0.00 C ATOM 1116 C HIS A 77 8.110 -11.922 -9.398 1.00 0.00 C ATOM 1117 O HIS A 77 7.592 -11.595 -8.330 1.00 0.00 O ATOM 1118 CB HIS A 77 10.486 -11.223 -9.749 1.00 0.00 C ATOM 1119 CG HIS A 77 11.472 -10.855 -10.816 1.00 0.00 C ATOM 1120 ND1 HIS A 77 11.327 -11.227 -12.135 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.621 -10.142 -10.751 1.00 0.00 C ATOM 1122 CE1 HIS A 77 12.345 -10.761 -12.836 1.00 0.00 C ATOM 1123 NE2 HIS A 77 13.144 -10.098 -12.020 1.00 0.00 N ATOM 0 H HIS A 77 8.555 -9.360 -8.879 1.00 0.00 H new ATOM 0 HA HIS A 77 8.917 -11.136 -11.215 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.714 -10.659 -8.845 1.00 0.00 H new ATOM 0 HB3 HIS A 77 10.604 -12.279 -9.505 1.00 0.00 H new ATOM 0 HD2 HIS A 77 13.047 -9.692 -9.866 1.00 0.00 H new ATOM 0 HE1 HIS A 77 12.498 -10.899 -13.896 1.00 0.00 H new ATOM 0 HE2 HIS A 77 14.009 -9.629 -12.289 1.00 0.00 H new ATOM 1132 N ARG A 78 7.910 -13.106 -9.967 1.00 0.00 N ATOM 1133 CA ARG A 78 7.049 -14.111 -9.356 1.00 0.00 C ATOM 1134 C ARG A 78 7.185 -14.093 -7.837 1.00 0.00 C ATOM 1135 O ARG A 78 8.231 -13.722 -7.302 1.00 0.00 O ATOM 1136 CB ARG A 78 7.392 -15.502 -9.893 1.00 0.00 C ATOM 1137 CG ARG A 78 7.193 -15.642 -11.394 1.00 0.00 C ATOM 1138 CD ARG A 78 7.426 -17.072 -11.856 1.00 0.00 C ATOM 1139 NE ARG A 78 6.858 -17.320 -13.178 1.00 0.00 N ATOM 1140 CZ ARG A 78 7.463 -16.987 -14.312 1.00 0.00 C ATOM 1141 NH1 ARG A 78 8.650 -16.397 -14.286 1.00 0.00 N ATOM 1142 NH2 ARG A 78 6.881 -17.246 -15.477 1.00 0.00 N ATOM 0 H ARG A 78 8.332 -13.393 -10.850 1.00 0.00 H new ATOM 0 HA ARG A 78 6.017 -13.874 -9.614 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.430 -15.730 -9.650 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.775 -16.242 -9.383 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.182 -15.333 -11.658 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.877 -14.974 -11.917 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.497 -17.276 -11.877 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.984 -17.762 -11.137 1.00 0.00 H new ATOM 0 HE ARG A 78 5.946 -17.774 -13.233 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.101 -16.198 -13.393 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.112 -16.142 -15.159 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.968 -17.701 -15.501 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.346 -16.990 -16.348 1.00 0.00 H new ATOM 1156 N ILE A 79 6.123 -14.496 -7.148 1.00 0.00 N ATOM 1157 CA ILE A 79 6.125 -14.526 -5.690 1.00 0.00 C ATOM 1158 C ILE A 79 5.873 -15.937 -5.170 1.00 0.00 C ATOM 1159 O ILE A 79 5.022 -16.659 -5.690 1.00 0.00 O ATOM 1160 CB ILE A 79 5.061 -13.578 -5.106 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.404 -12.124 -5.440 1.00 0.00 C ATOM 1162 CG2 ILE A 79 4.950 -13.769 -3.601 1.00 0.00 C ATOM 1163 CD1 ILE A 79 4.246 -11.171 -5.247 1.00 0.00 C ATOM 0 H ILE A 79 5.250 -14.806 -7.575 1.00 0.00 H new ATOM 0 HA ILE A 79 7.112 -14.193 -5.368 1.00 0.00 H new ATOM 0 HB ILE A 79 4.097 -13.817 -5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.237 -11.803 -4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.742 -12.067 -6.475 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.194 -13.092 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.665 -14.799 -3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.911 -13.553 -3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.561 -10.159 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.419 -11.467 -5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.922 -11.199 -4.207 1.00 0.00 H new ATOM 1175 N ASP A 80 6.616 -16.322 -4.138 1.00 0.00 N ATOM 1176 CA ASP A 80 6.471 -17.646 -3.544 1.00 0.00 C ATOM 1177 C ASP A 80 6.313 -17.548 -2.030 1.00 0.00 C ATOM 1178 O ASP A 80 7.048 -16.819 -1.365 1.00 0.00 O ATOM 1179 CB ASP A 80 7.680 -18.518 -3.887 1.00 0.00 C ATOM 1180 CG ASP A 80 7.778 -19.746 -3.004 1.00 0.00 C ATOM 1181 OD1 ASP A 80 6.721 -20.312 -2.657 1.00 0.00 O ATOM 1182 OD2 ASP A 80 8.912 -20.140 -2.659 1.00 0.00 O ATOM 0 H ASP A 80 7.324 -15.736 -3.696 1.00 0.00 H new ATOM 0 HA ASP A 80 5.573 -18.105 -3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.616 -18.828 -4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.591 -17.928 -3.785 1.00 0.00 H new ATOM 1187 N ARG A 81 5.347 -18.286 -1.492 1.00 0.00 N ATOM 1188 CA ARG A 81 5.091 -18.280 -0.057 1.00 0.00 C ATOM 1189 C ARG A 81 6.162 -19.069 0.690 1.00 0.00 C ATOM 1190 O ARG A 81 6.683 -18.615 1.708 1.00 0.00 O ATOM 1191 CB ARG A 81 3.710 -18.869 0.238 1.00 0.00 C ATOM 1192 CG ARG A 81 3.259 -18.673 1.677 1.00 0.00 C ATOM 1193 CD ARG A 81 3.679 -19.842 2.555 1.00 0.00 C ATOM 1194 NE ARG A 81 4.992 -19.630 3.157 1.00 0.00 N ATOM 1195 CZ ARG A 81 5.670 -20.577 3.796 1.00 0.00 C ATOM 1196 NH1 ARG A 81 5.160 -21.796 3.914 1.00 0.00 N ATOM 1197 NH2 ARG A 81 6.860 -20.307 4.317 1.00 0.00 N ATOM 0 H ARG A 81 4.729 -18.895 -2.028 1.00 0.00 H new ATOM 0 HA ARG A 81 5.119 -17.246 0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.979 -18.411 -0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.723 -19.935 0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.684 -17.750 2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.175 -18.564 1.708 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.939 -19.989 3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.696 -20.755 1.959 1.00 0.00 H new ATOM 0 HE ARG A 81 5.412 -18.703 3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.246 -22.007 3.514 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.682 -22.522 4.405 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.256 -19.371 4.227 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.379 -21.035 4.807 1.00 0.00 H new ATOM 1211 N GLU A 82 6.484 -20.253 0.177 1.00 0.00 N ATOM 1212 CA GLU A 82 7.491 -21.105 0.797 1.00 0.00 C ATOM 1213 C GLU A 82 8.752 -20.308 1.123 1.00 0.00 C ATOM 1214 O GLU A 82 9.276 -20.384 2.233 1.00 0.00 O ATOM 1215 CB GLU A 82 7.839 -22.275 -0.125 1.00 0.00 C ATOM 1216 CG GLU A 82 6.764 -23.347 -0.180 1.00 0.00 C ATOM 1217 CD GLU A 82 7.178 -24.548 -1.007 1.00 0.00 C ATOM 1218 OE1 GLU A 82 7.014 -24.501 -2.244 1.00 0.00 O ATOM 1219 OE2 GLU A 82 7.667 -25.535 -0.418 1.00 0.00 O ATOM 0 H GLU A 82 6.062 -20.643 -0.666 1.00 0.00 H new ATOM 0 HA GLU A 82 7.077 -21.495 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.012 -21.894 -1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.773 -22.726 0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.529 -23.672 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.852 -22.920 -0.598 1.00 0.00 H new ATOM 1226 N GLU A 83 9.232 -19.545 0.146 1.00 0.00 N ATOM 1227 CA GLU A 83 10.431 -18.736 0.328 1.00 0.00 C ATOM 1228 C GLU A 83 10.194 -17.637 1.360 1.00 0.00 C ATOM 1229 O GLU A 83 11.114 -17.224 2.066 1.00 0.00 O ATOM 1230 CB GLU A 83 10.863 -18.117 -1.003 1.00 0.00 C ATOM 1231 CG GLU A 83 9.997 -16.948 -1.440 1.00 0.00 C ATOM 1232 CD GLU A 83 10.713 -16.018 -2.400 1.00 0.00 C ATOM 1233 OE1 GLU A 83 10.916 -16.414 -3.567 1.00 0.00 O ATOM 1234 OE2 GLU A 83 11.069 -14.896 -1.985 1.00 0.00 O ATOM 0 H GLU A 83 8.809 -19.470 -0.779 1.00 0.00 H new ATOM 0 HA GLU A 83 11.226 -19.387 0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.897 -17.781 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.839 -18.885 -1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.093 -17.328 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.683 -16.385 -0.561 1.00 0.00 H new ATOM 1241 N VAL A 84 8.953 -17.167 1.440 1.00 0.00 N ATOM 1242 CA VAL A 84 8.593 -16.116 2.385 1.00 0.00 C ATOM 1243 C VAL A 84 7.115 -16.187 2.749 1.00 0.00 C ATOM 1244 O VAL A 84 6.251 -16.224 1.874 1.00 0.00 O ATOM 1245 CB VAL A 84 8.904 -14.719 1.816 1.00 0.00 C ATOM 1246 CG1 VAL A 84 10.406 -14.520 1.679 1.00 0.00 C ATOM 1247 CG2 VAL A 84 8.208 -14.522 0.478 1.00 0.00 C ATOM 0 H VAL A 84 8.180 -17.497 0.862 1.00 0.00 H new ATOM 0 HA VAL A 84 9.193 -16.277 3.281 1.00 0.00 H new ATOM 0 HB VAL A 84 8.524 -13.970 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.606 -13.527 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.876 -14.616 2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.813 -15.274 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.439 -13.530 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.555 -15.277 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.130 -14.618 0.611 1.00 0.00 H new ATOM 1257 N ASN A 85 6.831 -16.204 4.047 1.00 0.00 N ATOM 1258 CA ASN A 85 5.455 -16.271 4.528 1.00 0.00 C ATOM 1259 C ASN A 85 4.899 -14.873 4.779 1.00 0.00 C ATOM 1260 O ASN A 85 3.695 -14.698 4.963 1.00 0.00 O ATOM 1261 CB ASN A 85 5.381 -17.099 5.812 1.00 0.00 C ATOM 1262 CG ASN A 85 6.167 -16.475 6.949 1.00 0.00 C ATOM 1263 OD1 ASN A 85 7.281 -15.988 6.754 1.00 0.00 O ATOM 1264 ND2 ASN A 85 5.590 -16.488 8.144 1.00 0.00 N ATOM 0 H ASN A 85 7.535 -16.172 4.785 1.00 0.00 H new ATOM 0 HA ASN A 85 4.850 -16.751 3.759 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.339 -17.208 6.111 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.763 -18.101 5.617 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.071 -16.083 8.947 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.665 -16.902 8.259 1.00 0.00 H new ATOM 1271 N GLN A 86 5.784 -13.881 4.783 1.00 0.00 N ATOM 1272 CA GLN A 86 5.381 -12.499 5.011 1.00 0.00 C ATOM 1273 C GLN A 86 6.544 -11.544 4.763 1.00 0.00 C ATOM 1274 O GLN A 86 7.605 -11.669 5.376 1.00 0.00 O ATOM 1275 CB GLN A 86 4.860 -12.326 6.439 1.00 0.00 C ATOM 1276 CG GLN A 86 4.444 -10.901 6.767 1.00 0.00 C ATOM 1277 CD GLN A 86 3.849 -10.772 8.155 1.00 0.00 C ATOM 1278 OE1 GLN A 86 4.571 -10.620 9.141 1.00 0.00 O ATOM 1279 NE2 GLN A 86 2.525 -10.831 8.240 1.00 0.00 N ATOM 0 H GLN A 86 6.784 -14.009 4.631 1.00 0.00 H new ATOM 0 HA GLN A 86 4.582 -12.260 4.309 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.007 -12.988 6.588 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.634 -12.640 7.140 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.311 -10.245 6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.716 -10.560 6.031 1.00 0.00 H new ATOM 0 HE21 GLN A 86 1.965 -10.958 7.397 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.068 -10.749 9.148 1.00 0.00 H new ATOM 1288 N LEU A 87 6.339 -10.591 3.861 1.00 0.00 N ATOM 1289 CA LEU A 87 7.371 -9.615 3.531 1.00 0.00 C ATOM 1290 C LEU A 87 7.181 -8.330 4.331 1.00 0.00 C ATOM 1291 O LEU A 87 6.062 -7.839 4.480 1.00 0.00 O ATOM 1292 CB LEU A 87 7.346 -9.304 2.033 1.00 0.00 C ATOM 1293 CG LEU A 87 7.503 -10.502 1.096 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.783 -10.249 -0.219 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.976 -10.799 0.852 1.00 0.00 C ATOM 0 H LEU A 87 5.467 -10.473 3.345 1.00 0.00 H new ATOM 0 HA LEU A 87 8.339 -10.044 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.404 -8.808 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.143 -8.592 1.817 1.00 0.00 H new ATOM 0 HG LEU A 87 7.052 -11.373 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.906 -11.112 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.722 -10.087 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.204 -9.366 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.069 -11.655 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.452 -9.930 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.463 -11.025 1.800 1.00 0.00 H new ATOM 1307 N ARG A 88 8.283 -7.791 4.844 1.00 0.00 N ATOM 1308 CA ARG A 88 8.238 -6.563 5.628 1.00 0.00 C ATOM 1309 C ARG A 88 9.307 -5.580 5.161 1.00 0.00 C ATOM 1310 O ARG A 88 10.483 -5.717 5.500 1.00 0.00 O ATOM 1311 CB ARG A 88 8.430 -6.874 7.114 1.00 0.00 C ATOM 1312 CG ARG A 88 7.723 -5.896 8.038 1.00 0.00 C ATOM 1313 CD ARG A 88 8.050 -6.172 9.497 1.00 0.00 C ATOM 1314 NE ARG A 88 9.230 -5.436 9.942 1.00 0.00 N ATOM 1315 CZ ARG A 88 9.873 -5.695 11.075 1.00 0.00 C ATOM 1316 NH1 ARG A 88 9.453 -6.667 11.873 1.00 0.00 N ATOM 1317 NH2 ARG A 88 10.940 -4.982 11.411 1.00 0.00 N ATOM 0 H ARG A 88 9.217 -8.185 4.731 1.00 0.00 H new ATOM 0 HA ARG A 88 7.260 -6.105 5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.064 -7.881 7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.496 -6.871 7.342 1.00 0.00 H new ATOM 0 HG2 ARG A 88 8.017 -4.877 7.785 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.646 -5.964 7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.197 -5.899 10.118 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.216 -7.240 9.636 1.00 0.00 H new ATOM 0 HE ARG A 88 9.580 -4.682 9.351 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.634 -7.218 11.618 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.949 -6.863 12.742 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.267 -4.234 10.799 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.433 -5.181 12.281 1.00 0.00 H new ATOM 1331 N PHE A 89 8.891 -4.588 4.380 1.00 0.00 N ATOM 1332 CA PHE A 89 9.814 -3.583 3.865 1.00 0.00 C ATOM 1333 C PHE A 89 9.325 -2.176 4.197 1.00 0.00 C ATOM 1334 O PHE A 89 8.284 -2.000 4.831 1.00 0.00 O ATOM 1335 CB PHE A 89 9.974 -3.735 2.351 1.00 0.00 C ATOM 1336 CG PHE A 89 8.677 -3.641 1.598 1.00 0.00 C ATOM 1337 CD1 PHE A 89 8.152 -2.408 1.248 1.00 0.00 C ATOM 1338 CD2 PHE A 89 7.984 -4.787 1.242 1.00 0.00 C ATOM 1339 CE1 PHE A 89 6.959 -2.318 0.555 1.00 0.00 C ATOM 1340 CE2 PHE A 89 6.791 -4.703 0.549 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.277 -3.467 0.206 1.00 0.00 C ATOM 0 H PHE A 89 7.922 -4.459 4.090 1.00 0.00 H new ATOM 0 HA PHE A 89 10.782 -3.735 4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.653 -2.964 1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.440 -4.697 2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.681 -1.506 1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.380 -5.756 1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.561 -1.350 0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.261 -5.603 0.276 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.344 -3.400 -0.334 1.00 0.00 H new ATOM 1351 N THR A 90 10.085 -1.174 3.763 1.00 0.00 N ATOM 1352 CA THR A 90 9.732 0.217 4.015 1.00 0.00 C ATOM 1353 C THR A 90 9.917 1.066 2.763 1.00 0.00 C ATOM 1354 O THR A 90 10.692 0.717 1.873 1.00 0.00 O ATOM 1355 CB THR A 90 10.578 0.814 5.156 1.00 0.00 C ATOM 1356 OG1 THR A 90 10.604 -0.086 6.269 1.00 0.00 O ATOM 1357 CG2 THR A 90 10.019 2.158 5.597 1.00 0.00 C ATOM 0 H THR A 90 10.949 -1.301 3.235 1.00 0.00 H new ATOM 0 HA THR A 90 8.682 0.229 4.307 1.00 0.00 H new ATOM 0 HB THR A 90 11.593 0.964 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.145 0.300 6.989 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.632 2.560 6.403 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.028 2.850 4.755 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.996 2.028 5.950 1.00 0.00 H new ATOM 1365 N VAL A 91 9.200 2.184 2.700 1.00 0.00 N ATOM 1366 CA VAL A 91 9.286 3.085 1.557 1.00 0.00 C ATOM 1367 C VAL A 91 9.590 4.511 2.002 1.00 0.00 C ATOM 1368 O VAL A 91 9.037 4.994 2.990 1.00 0.00 O ATOM 1369 CB VAL A 91 7.981 3.081 0.739 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.733 1.707 0.136 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.808 3.512 1.607 1.00 0.00 C ATOM 0 H VAL A 91 8.553 2.487 3.428 1.00 0.00 H new ATOM 0 HA VAL A 91 10.100 2.722 0.930 1.00 0.00 H new ATOM 0 HB VAL A 91 8.081 3.796 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.807 1.723 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.562 1.443 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.652 0.969 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.894 3.504 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.703 2.823 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.986 4.519 1.985 1.00 0.00 H new ATOM 1381 N MET A 92 10.472 5.179 1.267 1.00 0.00 N ATOM 1382 CA MET A 92 10.848 6.552 1.586 1.00 0.00 C ATOM 1383 C MET A 92 10.079 7.542 0.717 1.00 0.00 C ATOM 1384 O MET A 92 9.494 7.167 -0.299 1.00 0.00 O ATOM 1385 CB MET A 92 12.353 6.749 1.394 1.00 0.00 C ATOM 1386 CG MET A 92 13.168 6.454 2.643 1.00 0.00 C ATOM 1387 SD MET A 92 14.754 7.312 2.656 1.00 0.00 S ATOM 1388 CE MET A 92 15.490 6.687 1.148 1.00 0.00 C ATOM 0 H MET A 92 10.940 4.793 0.447 1.00 0.00 H new ATOM 0 HA MET A 92 10.595 6.739 2.630 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.696 6.103 0.585 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.540 7.777 1.082 1.00 0.00 H new ATOM 0 HG2 MET A 92 12.595 6.745 3.523 1.00 0.00 H new ATOM 0 HG3 MET A 92 13.340 5.380 2.715 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.493 7.099 1.034 1.00 0.00 H new ATOM 0 HE2 MET A 92 15.548 5.600 1.195 1.00 0.00 H new ATOM 0 HE3 MET A 92 14.878 6.981 0.295 1.00 0.00 H new ATOM 1398 N ALA A 93 10.085 8.808 1.122 1.00 0.00 N ATOM 1399 CA ALA A 93 9.390 9.851 0.379 1.00 0.00 C ATOM 1400 C ALA A 93 10.139 11.176 0.462 1.00 0.00 C ATOM 1401 O ALA A 93 10.123 11.846 1.495 1.00 0.00 O ATOM 1402 CB ALA A 93 7.969 10.013 0.900 1.00 0.00 C ATOM 0 H ALA A 93 10.564 9.136 1.961 1.00 0.00 H new ATOM 0 HA ALA A 93 9.350 9.551 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.462 10.796 0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.429 9.073 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.997 10.286 1.955 1.00 0.00 H new ATOM 1408 N ARG A 94 10.796 11.549 -0.632 1.00 0.00 N ATOM 1409 CA ARG A 94 11.554 12.793 -0.681 1.00 0.00 C ATOM 1410 C ARG A 94 10.692 13.933 -1.218 1.00 0.00 C ATOM 1411 O ARG A 94 9.713 13.703 -1.928 1.00 0.00 O ATOM 1412 CB ARG A 94 12.797 12.624 -1.557 1.00 0.00 C ATOM 1413 CG ARG A 94 13.492 11.285 -1.374 1.00 0.00 C ATOM 1414 CD ARG A 94 14.952 11.353 -1.795 1.00 0.00 C ATOM 1415 NE ARG A 94 15.110 11.234 -3.242 1.00 0.00 N ATOM 1416 CZ ARG A 94 16.262 10.935 -3.833 1.00 0.00 C ATOM 1417 NH1 ARG A 94 17.349 10.724 -3.105 1.00 0.00 N ATOM 1418 NH2 ARG A 94 16.326 10.845 -5.155 1.00 0.00 N ATOM 0 H ARG A 94 10.818 11.007 -1.496 1.00 0.00 H new ATOM 0 HA ARG A 94 11.864 13.041 0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 94 12.512 12.736 -2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 94 13.502 13.424 -1.331 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.427 10.980 -0.330 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.978 10.524 -1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 94 15.382 12.297 -1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.509 10.556 -1.303 1.00 0.00 H new ATOM 0 HE ARG A 94 14.292 11.389 -3.831 1.00 0.00 H new ATOM 0 HH11 ARG A 94 17.303 10.791 -2.088 1.00 0.00 H new ATOM 0 HH12 ARG A 94 18.232 10.495 -3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 94 15.491 11.005 -5.718 1.00 0.00 H new ATOM 0 HH22 ARG A 94 17.210 10.615 -5.608 1.00 0.00 H new ATOM 1432 N ASP A 95 11.064 15.161 -0.874 1.00 0.00 N ATOM 1433 CA ASP A 95 10.326 16.337 -1.321 1.00 0.00 C ATOM 1434 C ASP A 95 11.278 17.411 -1.838 1.00 0.00 C ATOM 1435 O ASP A 95 12.496 17.292 -1.704 1.00 0.00 O ATOM 1436 CB ASP A 95 9.477 16.897 -0.179 1.00 0.00 C ATOM 1437 CG ASP A 95 8.561 18.017 -0.634 1.00 0.00 C ATOM 1438 OD1 ASP A 95 7.901 17.855 -1.682 1.00 0.00 O ATOM 1439 OD2 ASP A 95 8.505 19.054 0.059 1.00 0.00 O ATOM 0 H ASP A 95 11.872 15.368 -0.287 1.00 0.00 H new ATOM 0 HA ASP A 95 9.669 16.035 -2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.879 16.095 0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.132 17.265 0.610 1.00 0.00 H new ATOM 1444 N ARG A 96 10.714 18.459 -2.430 1.00 0.00 N ATOM 1445 CA ARG A 96 11.512 19.553 -2.969 1.00 0.00 C ATOM 1446 C ARG A 96 12.034 20.448 -1.850 1.00 0.00 C ATOM 1447 O ARG A 96 11.504 21.533 -1.610 1.00 0.00 O ATOM 1448 CB ARG A 96 10.683 20.380 -3.954 1.00 0.00 C ATOM 1449 CG ARG A 96 9.210 20.464 -3.590 1.00 0.00 C ATOM 1450 CD ARG A 96 8.531 21.636 -4.281 1.00 0.00 C ATOM 1451 NE ARG A 96 7.177 21.858 -3.779 1.00 0.00 N ATOM 1452 CZ ARG A 96 6.345 22.761 -4.285 1.00 0.00 C ATOM 1453 NH1 ARG A 96 6.726 23.523 -5.301 1.00 0.00 N ATOM 1454 NH2 ARG A 96 5.129 22.904 -3.774 1.00 0.00 N ATOM 0 H ARG A 96 9.707 18.573 -2.548 1.00 0.00 H new ATOM 0 HA ARG A 96 12.365 19.123 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.094 21.388 -4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.778 19.946 -4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.711 19.536 -3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.106 20.567 -2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.125 22.538 -4.133 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.494 21.452 -5.355 1.00 0.00 H new ATOM 0 HE ARG A 96 6.853 21.288 -2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.660 23.416 -5.696 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.085 24.216 -5.688 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.833 22.320 -2.992 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.491 23.598 -4.163 1.00 0.00 H new ATOM 1468 N GLY A 97 13.076 19.986 -1.166 1.00 0.00 N ATOM 1469 CA GLY A 97 13.652 20.757 -0.079 1.00 0.00 C ATOM 1470 C GLY A 97 15.073 20.335 0.241 1.00 0.00 C ATOM 1471 O GLY A 97 15.575 19.356 -0.310 1.00 0.00 O ATOM 0 H GLY A 97 13.532 19.091 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.641 21.815 -0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.033 20.643 0.811 1.00 0.00 H new ATOM 1475 N GLN A 98 15.721 21.077 1.133 1.00 0.00 N ATOM 1476 CA GLN A 98 17.093 20.776 1.524 1.00 0.00 C ATOM 1477 C GLN A 98 17.355 21.202 2.964 1.00 0.00 C ATOM 1478 O GLN A 98 17.260 22.378 3.316 1.00 0.00 O ATOM 1479 CB GLN A 98 18.078 21.475 0.585 1.00 0.00 C ATOM 1480 CG GLN A 98 17.885 22.981 0.513 1.00 0.00 C ATOM 1481 CD GLN A 98 18.710 23.623 -0.585 1.00 0.00 C ATOM 1482 OE1 GLN A 98 19.509 22.960 -1.246 1.00 0.00 O ATOM 1483 NE2 GLN A 98 18.519 24.922 -0.786 1.00 0.00 N ATOM 0 H GLN A 98 15.318 21.890 1.598 1.00 0.00 H new ATOM 0 HA GLN A 98 17.236 19.698 1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 98 19.095 21.263 0.915 1.00 0.00 H new ATOM 0 HB3 GLN A 98 17.974 21.055 -0.416 1.00 0.00 H new ATOM 0 HG2 GLN A 98 16.831 23.201 0.346 1.00 0.00 H new ATOM 0 HG3 GLN A 98 18.155 23.424 1.471 1.00 0.00 H new ATOM 0 HE21 GLN A 98 17.846 25.433 -0.215 1.00 0.00 H new ATOM 0 HE22 GLN A 98 19.045 25.409 -1.512 1.00 0.00 H new ATOM 1492 N PRO A 99 17.693 20.225 3.819 1.00 0.00 N ATOM 1493 CA PRO A 99 17.808 18.822 3.411 1.00 0.00 C ATOM 1494 C PRO A 99 16.455 18.200 3.082 1.00 0.00 C ATOM 1495 O PRO A 99 15.430 18.539 3.673 1.00 0.00 O ATOM 1496 CB PRO A 99 18.423 18.145 4.639 1.00 0.00 C ATOM 1497 CG PRO A 99 18.029 19.011 5.786 1.00 0.00 C ATOM 1498 CD PRO A 99 17.987 20.415 5.249 1.00 0.00 C ATOM 0 HA PRO A 99 18.400 18.709 2.503 1.00 0.00 H new ATOM 0 HB2 PRO A 99 18.046 17.130 4.762 1.00 0.00 H new ATOM 0 HB3 PRO A 99 19.507 18.074 4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.058 18.716 6.182 1.00 0.00 H new ATOM 0 HG3 PRO A 99 18.746 18.927 6.603 1.00 0.00 H new ATOM 0 HD2 PRO A 99 17.218 21.011 5.741 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.935 20.931 5.399 1.00 0.00 H new ATOM 1506 N PRO A 100 16.450 17.269 2.117 1.00 0.00 N ATOM 1507 CA PRO A 100 15.229 16.580 1.688 1.00 0.00 C ATOM 1508 C PRO A 100 14.701 15.623 2.751 1.00 0.00 C ATOM 1509 O PRO A 100 15.317 14.596 3.039 1.00 0.00 O ATOM 1510 CB PRO A 100 15.676 15.806 0.446 1.00 0.00 C ATOM 1511 CG PRO A 100 17.140 15.604 0.632 1.00 0.00 C ATOM 1512 CD PRO A 100 17.636 16.817 1.370 1.00 0.00 C ATOM 0 HA PRO A 100 14.412 17.277 1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 100 15.152 14.854 0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 100 15.466 16.365 -0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 100 17.339 14.694 1.198 1.00 0.00 H new ATOM 0 HG3 PRO A 100 17.644 15.498 -0.329 1.00 0.00 H new ATOM 0 HD2 PRO A 100 18.462 16.572 2.037 1.00 0.00 H new ATOM 0 HD3 PRO A 100 17.997 17.585 0.685 1.00 0.00 H new ATOM 1520 N LYS A 101 13.555 15.964 3.331 1.00 0.00 N ATOM 1521 CA LYS A 101 12.941 15.134 4.361 1.00 0.00 C ATOM 1522 C LYS A 101 12.415 13.831 3.767 1.00 0.00 C ATOM 1523 O LYS A 101 11.494 13.835 2.950 1.00 0.00 O ATOM 1524 CB LYS A 101 11.801 15.892 5.044 1.00 0.00 C ATOM 1525 CG LYS A 101 12.263 16.797 6.172 1.00 0.00 C ATOM 1526 CD LYS A 101 12.333 16.050 7.493 1.00 0.00 C ATOM 1527 CE LYS A 101 13.672 15.349 7.666 1.00 0.00 C ATOM 1528 NZ LYS A 101 14.015 15.155 9.103 1.00 0.00 N ATOM 0 H LYS A 101 13.032 16.810 3.105 1.00 0.00 H new ATOM 0 HA LYS A 101 13.704 14.894 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.277 16.492 4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.082 15.173 5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.244 17.207 5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.579 17.641 6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.177 16.748 8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.528 15.317 7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.643 14.381 7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.454 15.934 7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.934 14.674 9.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.068 16.080 9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.282 14.575 9.560 1.00 0.00 H new ATOM 1542 N THR A 102 13.006 12.715 4.185 1.00 0.00 N ATOM 1543 CA THR A 102 12.597 11.405 3.695 1.00 0.00 C ATOM 1544 C THR A 102 11.773 10.660 4.739 1.00 0.00 C ATOM 1545 O THR A 102 12.314 10.142 5.717 1.00 0.00 O ATOM 1546 CB THR A 102 13.814 10.544 3.309 1.00 0.00 C ATOM 1547 OG1 THR A 102 14.718 10.449 4.416 1.00 0.00 O ATOM 1548 CG2 THR A 102 14.536 11.135 2.108 1.00 0.00 C ATOM 0 H THR A 102 13.769 12.693 4.861 1.00 0.00 H new ATOM 0 HA THR A 102 11.987 11.576 2.808 1.00 0.00 H new ATOM 0 HB THR A 102 13.458 9.548 3.045 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.208 10.345 5.247 1.00 0.00 H new ATOM 0 HG21 THR A 102 15.392 10.510 1.854 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.854 11.179 1.259 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.880 12.141 2.349 1.00 0.00 H new ATOM 1556 N ASP A 103 10.463 10.609 4.526 1.00 0.00 N ATOM 1557 CA ASP A 103 9.564 9.926 5.449 1.00 0.00 C ATOM 1558 C ASP A 103 9.499 8.434 5.140 1.00 0.00 C ATOM 1559 O ASP A 103 9.261 8.035 3.999 1.00 0.00 O ATOM 1560 CB ASP A 103 8.163 10.536 5.376 1.00 0.00 C ATOM 1561 CG ASP A 103 7.282 10.102 6.531 1.00 0.00 C ATOM 1562 OD1 ASP A 103 7.750 10.158 7.687 1.00 0.00 O ATOM 1563 OD2 ASP A 103 6.125 9.705 6.278 1.00 0.00 O ATOM 0 H ASP A 103 10.000 11.033 3.722 1.00 0.00 H new ATOM 0 HA ASP A 103 9.955 10.053 6.459 1.00 0.00 H new ATOM 0 HB2 ASP A 103 8.243 11.623 5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.693 10.248 4.436 1.00 0.00 H new ATOM 1568 N LYS A 104 9.713 7.612 6.162 1.00 0.00 N ATOM 1569 CA LYS A 104 9.679 6.164 6.001 1.00 0.00 C ATOM 1570 C LYS A 104 8.296 5.612 6.332 1.00 0.00 C ATOM 1571 O LYS A 104 7.671 6.023 7.309 1.00 0.00 O ATOM 1572 CB LYS A 104 10.731 5.505 6.896 1.00 0.00 C ATOM 1573 CG LYS A 104 12.106 5.418 6.257 1.00 0.00 C ATOM 1574 CD LYS A 104 13.170 5.035 7.272 1.00 0.00 C ATOM 1575 CE LYS A 104 14.570 5.190 6.698 1.00 0.00 C ATOM 1576 NZ LYS A 104 15.604 5.258 7.767 1.00 0.00 N ATOM 0 H LYS A 104 9.912 7.925 7.112 1.00 0.00 H new ATOM 0 HA LYS A 104 9.903 5.934 4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.807 6.067 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.397 4.501 7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.088 4.683 5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.360 6.378 5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.069 5.659 8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.018 4.003 7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.786 4.351 6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.615 6.094 6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.544 5.364 7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.413 6.074 8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.578 4.384 8.331 1.00 0.00 H new ATOM 1590 N ALA A 105 7.825 4.677 5.513 1.00 0.00 N ATOM 1591 CA ALA A 105 6.518 4.066 5.721 1.00 0.00 C ATOM 1592 C ALA A 105 6.594 2.549 5.592 1.00 0.00 C ATOM 1593 O ALA A 105 7.069 2.024 4.584 1.00 0.00 O ATOM 1594 CB ALA A 105 5.508 4.632 4.735 1.00 0.00 C ATOM 0 H ALA A 105 8.330 4.326 4.699 1.00 0.00 H new ATOM 0 HA ALA A 105 6.191 4.302 6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.537 4.167 4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.424 5.709 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.839 4.426 3.717 1.00 0.00 H new ATOM 1600 N THR A 106 6.124 1.847 6.619 1.00 0.00 N ATOM 1601 CA THR A 106 6.141 0.390 6.620 1.00 0.00 C ATOM 1602 C THR A 106 4.994 -0.174 5.790 1.00 0.00 C ATOM 1603 O THR A 106 3.882 0.356 5.808 1.00 0.00 O ATOM 1604 CB THR A 106 6.048 -0.171 8.052 1.00 0.00 C ATOM 1605 OG1 THR A 106 7.040 0.441 8.884 1.00 0.00 O ATOM 1606 CG2 THR A 106 6.237 -1.681 8.055 1.00 0.00 C ATOM 0 H THR A 106 5.727 2.265 7.461 1.00 0.00 H new ATOM 0 HA THR A 106 7.089 0.084 6.178 1.00 0.00 H new ATOM 0 HB THR A 106 5.056 0.056 8.444 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.973 0.080 9.793 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.167 -2.054 9.077 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.462 -2.146 7.445 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.217 -1.926 7.645 1.00 0.00 H new ATOM 1614 N VAL A 107 5.270 -1.252 5.063 1.00 0.00 N ATOM 1615 CA VAL A 107 4.259 -1.889 4.227 1.00 0.00 C ATOM 1616 C VAL A 107 4.229 -3.396 4.454 1.00 0.00 C ATOM 1617 O VAL A 107 5.048 -4.134 3.907 1.00 0.00 O ATOM 1618 CB VAL A 107 4.511 -1.611 2.732 1.00 0.00 C ATOM 1619 CG1 VAL A 107 3.477 -2.326 1.875 1.00 0.00 C ATOM 1620 CG2 VAL A 107 4.498 -0.114 2.460 1.00 0.00 C ATOM 0 H VAL A 107 6.185 -1.702 5.036 1.00 0.00 H new ATOM 0 HA VAL A 107 3.297 -1.462 4.512 1.00 0.00 H new ATOM 0 HB VAL A 107 5.496 -1.997 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.670 -2.118 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.539 -3.400 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.480 -1.972 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.677 0.065 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.528 0.298 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.279 0.369 3.047 1.00 0.00 H new ATOM 1630 N VAL A 108 3.277 -3.848 5.265 1.00 0.00 N ATOM 1631 CA VAL A 108 3.138 -5.268 5.564 1.00 0.00 C ATOM 1632 C VAL A 108 2.326 -5.979 4.487 1.00 0.00 C ATOM 1633 O VAL A 108 1.137 -5.710 4.311 1.00 0.00 O ATOM 1634 CB VAL A 108 2.463 -5.490 6.930 1.00 0.00 C ATOM 1635 CG1 VAL A 108 2.441 -6.970 7.281 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.173 -4.688 8.011 1.00 0.00 C ATOM 0 H VAL A 108 2.591 -3.251 5.726 1.00 0.00 H new ATOM 0 HA VAL A 108 4.144 -5.686 5.592 1.00 0.00 H new ATOM 0 HB VAL A 108 1.432 -5.141 6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.960 -7.107 8.250 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.885 -7.516 6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.462 -7.348 7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.683 -4.856 8.970 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.214 -5.005 8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.131 -3.627 7.764 1.00 0.00 H new ATOM 1646 N LEU A 109 2.975 -6.889 3.769 1.00 0.00 N ATOM 1647 CA LEU A 109 2.313 -7.641 2.708 1.00 0.00 C ATOM 1648 C LEU A 109 2.123 -9.099 3.112 1.00 0.00 C ATOM 1649 O LEU A 109 3.014 -9.927 2.922 1.00 0.00 O ATOM 1650 CB LEU A 109 3.125 -7.559 1.415 1.00 0.00 C ATOM 1651 CG LEU A 109 3.239 -6.172 0.780 1.00 0.00 C ATOM 1652 CD1 LEU A 109 3.815 -6.274 -0.624 1.00 0.00 C ATOM 1653 CD2 LEU A 109 1.882 -5.485 0.753 1.00 0.00 C ATOM 0 H LEU A 109 3.959 -7.124 3.902 1.00 0.00 H new ATOM 0 HA LEU A 109 1.331 -7.199 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 109 4.131 -7.928 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.678 -8.235 0.686 1.00 0.00 H new ATOM 0 HG LEU A 109 3.916 -5.570 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.889 -5.278 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.806 -6.725 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.163 -6.893 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.982 -4.500 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.182 -6.084 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.508 -5.378 1.771 1.00 0.00 H new ATOM 1665 N ASN A 110 0.956 -9.407 3.667 1.00 0.00 N ATOM 1666 CA ASN A 110 0.648 -10.767 4.096 1.00 0.00 C ATOM 1667 C ASN A 110 0.505 -11.697 2.895 1.00 0.00 C ATOM 1668 O ASN A 110 -0.400 -11.534 2.076 1.00 0.00 O ATOM 1669 CB ASN A 110 -0.638 -10.784 4.925 1.00 0.00 C ATOM 1670 CG ASN A 110 -0.494 -10.028 6.231 1.00 0.00 C ATOM 1671 OD1 ASN A 110 0.005 -10.564 7.221 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -0.931 -8.774 6.240 1.00 0.00 N ATOM 0 H ASN A 110 0.208 -8.734 3.831 1.00 0.00 H new ATOM 0 HA ASN A 110 1.474 -11.123 4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.448 -10.346 4.342 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -0.918 -11.816 5.135 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.860 -8.215 7.090 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.338 -8.370 5.397 1.00 0.00 H new ATOM 1679 N ILE A 111 1.403 -12.671 2.797 1.00 0.00 N ATOM 1680 CA ILE A 111 1.376 -13.628 1.698 1.00 0.00 C ATOM 1681 C ILE A 111 0.198 -14.587 1.833 1.00 0.00 C ATOM 1682 O ILE A 111 0.289 -15.606 2.518 1.00 0.00 O ATOM 1683 CB ILE A 111 2.681 -14.442 1.627 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.885 -13.506 1.494 1.00 0.00 C ATOM 1685 CG2 ILE A 111 2.633 -15.420 0.464 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.752 -12.508 0.364 1.00 0.00 C ATOM 0 H ILE A 111 2.159 -12.818 3.466 1.00 0.00 H new ATOM 0 HA ILE A 111 1.268 -13.051 0.780 1.00 0.00 H new ATOM 0 HB ILE A 111 2.787 -15.011 2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 111 4.021 -12.966 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.784 -14.103 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 111 3.563 -15.988 0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 111 1.795 -16.104 0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 111 2.507 -14.870 -0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.641 -11.878 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.647 -13.041 -0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.872 -11.886 0.530 1.00 0.00 H new ATOM 1698 N LYS A 112 -0.907 -14.255 1.175 1.00 0.00 N ATOM 1699 CA LYS A 112 -2.103 -15.088 1.218 1.00 0.00 C ATOM 1700 C LYS A 112 -1.980 -16.266 0.257 1.00 0.00 C ATOM 1701 O LYS A 112 -1.205 -16.223 -0.697 1.00 0.00 O ATOM 1702 CB LYS A 112 -3.340 -14.258 0.869 1.00 0.00 C ATOM 1703 CG LYS A 112 -3.654 -13.176 1.887 1.00 0.00 C ATOM 1704 CD LYS A 112 -4.399 -13.738 3.087 1.00 0.00 C ATOM 1705 CE LYS A 112 -5.866 -13.982 2.767 1.00 0.00 C ATOM 1706 NZ LYS A 112 -6.611 -14.502 3.947 1.00 0.00 N ATOM 0 H LYS A 112 -0.999 -13.414 0.605 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.208 -15.477 2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.193 -13.795 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.200 -14.922 0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -2.727 -12.708 2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.254 -12.397 1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -3.934 -14.672 3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.318 -13.045 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.324 -13.052 2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -5.945 -14.693 1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.607 -14.656 3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.190 -15.402 4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.557 -13.812 4.723 1.00 0.00 H new ATOM 1720 N ASP A 113 -2.752 -17.317 0.515 1.00 0.00 N ATOM 1721 CA ASP A 113 -2.731 -18.506 -0.328 1.00 0.00 C ATOM 1722 C ASP A 113 -4.067 -18.689 -1.042 1.00 0.00 C ATOM 1723 O ASP A 113 -5.018 -19.222 -0.472 1.00 0.00 O ATOM 1724 CB ASP A 113 -2.412 -19.746 0.509 1.00 0.00 C ATOM 1725 CG ASP A 113 -1.041 -19.673 1.151 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -0.146 -19.026 0.567 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -0.861 -20.264 2.236 1.00 0.00 O ATOM 0 H ASP A 113 -3.400 -17.369 1.301 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.952 -18.375 -1.079 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.168 -19.861 1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.467 -20.632 -0.124 1.00 0.00 H new ATOM 1732 N GLU A 114 -4.131 -18.241 -2.292 1.00 0.00 N ATOM 1733 CA GLU A 114 -5.351 -18.355 -3.082 1.00 0.00 C ATOM 1734 C GLU A 114 -5.837 -19.800 -3.128 1.00 0.00 C ATOM 1735 O GLU A 114 -7.037 -20.064 -3.067 1.00 0.00 O ATOM 1736 CB GLU A 114 -5.114 -17.839 -4.504 1.00 0.00 C ATOM 1737 CG GLU A 114 -3.872 -18.416 -5.161 1.00 0.00 C ATOM 1738 CD GLU A 114 -4.159 -19.686 -5.938 1.00 0.00 C ATOM 1739 OE1 GLU A 114 -5.251 -19.780 -6.537 1.00 0.00 O ATOM 1740 OE2 GLU A 114 -3.293 -20.586 -5.947 1.00 0.00 O ATOM 0 H GLU A 114 -3.353 -17.796 -2.779 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.120 -17.747 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.983 -18.077 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.030 -16.753 -4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -3.443 -17.673 -5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -3.124 -18.624 -4.396 1.00 0.00 H new ATOM 1747 N ASN A 115 -4.896 -20.732 -3.237 1.00 0.00 N ATOM 1748 CA ASN A 115 -5.228 -22.151 -3.292 1.00 0.00 C ATOM 1749 C ASN A 115 -5.626 -22.671 -1.914 1.00 0.00 C ATOM 1750 O ASN A 115 -6.774 -23.057 -1.693 1.00 0.00 O ATOM 1751 CB ASN A 115 -4.041 -22.953 -3.829 1.00 0.00 C ATOM 1752 CG ASN A 115 -4.365 -24.425 -3.995 1.00 0.00 C ATOM 1753 OD1 ASN A 115 -4.419 -24.938 -5.113 1.00 0.00 O ATOM 1754 ND2 ASN A 115 -4.584 -25.113 -2.880 1.00 0.00 N ATOM 0 H ASN A 115 -3.898 -20.530 -3.289 1.00 0.00 H new ATOM 0 HA ASN A 115 -6.076 -22.274 -3.966 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.733 -22.541 -4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.196 -22.844 -3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.807 -26.107 -2.930 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.529 -24.647 -1.974 1.00 0.00 H new ATOM 1761 N ASP A 116 -4.671 -22.676 -0.991 1.00 0.00 N ATOM 1762 CA ASP A 116 -4.921 -23.146 0.366 1.00 0.00 C ATOM 1763 C ASP A 116 -6.060 -22.362 1.011 1.00 0.00 C ATOM 1764 O ASP A 116 -6.027 -21.134 1.068 1.00 0.00 O ATOM 1765 CB ASP A 116 -3.655 -23.020 1.214 1.00 0.00 C ATOM 1766 CG ASP A 116 -3.924 -23.230 2.692 1.00 0.00 C ATOM 1767 OD1 ASP A 116 -4.744 -24.112 3.026 1.00 0.00 O ATOM 1768 OD2 ASP A 116 -3.314 -22.514 3.513 1.00 0.00 O ATOM 0 H ASP A 116 -3.716 -22.360 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.210 -24.196 0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.920 -23.749 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -3.218 -22.033 1.064 1.00 0.00 H new ATOM 1773 N ASN A 117 -7.067 -23.082 1.496 1.00 0.00 N ATOM 1774 CA ASN A 117 -8.217 -22.453 2.135 1.00 0.00 C ATOM 1775 C ASN A 117 -7.894 -22.063 3.574 1.00 0.00 C ATOM 1776 O ASN A 117 -8.520 -21.169 4.143 1.00 0.00 O ATOM 1777 CB ASN A 117 -9.421 -23.398 2.109 1.00 0.00 C ATOM 1778 CG ASN A 117 -9.457 -24.321 3.311 1.00 0.00 C ATOM 1779 OD1 ASN A 117 -10.496 -24.485 3.952 1.00 0.00 O ATOM 1780 ND2 ASN A 117 -8.319 -24.931 3.624 1.00 0.00 N ATOM 0 H ASN A 117 -7.110 -24.100 1.459 1.00 0.00 H new ATOM 0 HA ASN A 117 -8.461 -21.548 1.578 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -10.339 -22.811 2.077 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -9.392 -23.994 1.197 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -8.283 -25.564 4.423 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -7.482 -24.766 3.065 1.00 0.00 H new ATOM 1787 N VAL A 118 -6.910 -22.740 4.158 1.00 0.00 N ATOM 1788 CA VAL A 118 -6.501 -22.464 5.530 1.00 0.00 C ATOM 1789 C VAL A 118 -4.990 -22.586 5.689 1.00 0.00 C ATOM 1790 O VAL A 118 -4.386 -23.607 5.359 1.00 0.00 O ATOM 1791 CB VAL A 118 -7.189 -23.419 6.524 1.00 0.00 C ATOM 1792 CG1 VAL A 118 -6.455 -23.423 7.856 1.00 0.00 C ATOM 1793 CG2 VAL A 118 -8.648 -23.032 6.711 1.00 0.00 C ATOM 0 H VAL A 118 -6.381 -23.484 3.702 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.805 -21.441 5.750 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.154 -24.429 6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -6.955 -24.103 8.545 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -5.427 -23.752 7.704 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.456 -22.417 8.275 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -9.119 -23.717 7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -8.708 -22.015 7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.165 -23.086 5.753 1.00 0.00 H new ATOM 1803 N PRO A 119 -4.361 -21.520 6.206 1.00 0.00 N ATOM 1804 CA PRO A 119 -2.912 -21.483 6.421 1.00 0.00 C ATOM 1805 C PRO A 119 -2.469 -22.413 7.546 1.00 0.00 C ATOM 1806 O PRO A 119 -3.221 -23.288 7.973 1.00 0.00 O ATOM 1807 CB PRO A 119 -2.646 -20.023 6.798 1.00 0.00 C ATOM 1808 CG PRO A 119 -3.935 -19.539 7.367 1.00 0.00 C ATOM 1809 CD PRO A 119 -5.017 -20.269 6.621 1.00 0.00 C ATOM 0 HA PRO A 119 -2.361 -21.818 5.542 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -1.837 -19.943 7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -2.352 -19.436 5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -3.991 -19.744 8.436 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -4.035 -18.461 7.244 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -5.883 -20.460 7.255 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -5.370 -19.697 5.763 1.00 0.00 H new TER 1817 PRO A 119