USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 25:sc= 0.502 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.8) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 112:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0407 X(o=-0.041,f=-0.041) USER MOD Single : A 29 ASN : amide:sc= -2.48! C(o=-2.5!,f=-4.7!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -160:sc= -0.207 USER MOD Single : A 45 LYS NZ :NH3+ -104:sc= -0.789 (180deg=-2.72!) USER MOD Single : A 46 MET CE :methyl -170:sc= 0 (180deg=-0.135) USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.00192 USER MOD Single : A 53 SER OG : rot 85:sc= 0.605 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= -1.34! (180deg=-1.42!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0078 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.517 38.475 -2.789 1.00 0.00 N ATOM 2 CA GLY A 1 -17.599 37.895 -1.461 1.00 0.00 C ATOM 3 C GLY A 1 -17.695 36.383 -1.494 1.00 0.00 C ATOM 4 O GLY A 1 -16.724 35.685 -1.200 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.453 39.510 -2.712 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.673 38.111 -3.275 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.366 38.220 -3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.721 38.188 -0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.469 38.300 -0.944 1.00 0.00 H new ATOM 8 N SER A 2 -18.870 35.874 -1.850 1.00 0.00 N ATOM 9 CA SER A 2 -19.092 34.434 -1.915 1.00 0.00 C ATOM 10 C SER A 2 -18.340 33.821 -3.093 1.00 0.00 C ATOM 11 O SER A 2 -18.262 34.413 -4.169 1.00 0.00 O ATOM 12 CB SER A 2 -20.587 34.131 -2.036 1.00 0.00 C ATOM 13 OG SER A 2 -21.086 34.528 -3.301 1.00 0.00 O ATOM 0 H SER A 2 -19.683 36.437 -2.098 1.00 0.00 H new ATOM 0 HA SER A 2 -18.713 33.991 -0.994 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.758 33.064 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.132 34.650 -1.247 1.00 0.00 H new ATOM 0 HG SER A 2 -22.043 34.322 -3.354 1.00 0.00 H new ATOM 19 N SER A 3 -17.790 32.630 -2.880 1.00 0.00 N ATOM 20 CA SER A 3 -17.041 31.937 -3.921 1.00 0.00 C ATOM 21 C SER A 3 -17.763 30.664 -4.354 1.00 0.00 C ATOM 22 O SER A 3 -17.920 30.401 -5.546 1.00 0.00 O ATOM 23 CB SER A 3 -15.634 31.596 -3.427 1.00 0.00 C ATOM 24 OG SER A 3 -14.790 31.226 -4.503 1.00 0.00 O ATOM 0 H SER A 3 -17.849 32.125 -1.996 1.00 0.00 H new ATOM 0 HA SER A 3 -16.964 32.601 -4.782 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.210 32.455 -2.907 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.686 30.781 -2.705 1.00 0.00 H new ATOM 0 HG SER A 3 -13.897 31.015 -4.160 1.00 0.00 H new ATOM 30 N GLY A 4 -18.199 29.877 -3.376 1.00 0.00 N ATOM 31 CA GLY A 4 -18.899 28.641 -3.674 1.00 0.00 C ATOM 32 C GLY A 4 -18.875 27.667 -2.514 1.00 0.00 C ATOM 33 O GLY A 4 -19.905 27.406 -1.892 1.00 0.00 O ATOM 0 H GLY A 4 -18.080 30.073 -2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.933 28.866 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.446 28.172 -4.548 1.00 0.00 H new ATOM 37 N SER A 5 -17.697 27.126 -2.222 1.00 0.00 N ATOM 38 CA SER A 5 -17.544 26.169 -1.131 1.00 0.00 C ATOM 39 C SER A 5 -16.540 26.677 -0.101 1.00 0.00 C ATOM 40 O SER A 5 -15.770 27.599 -0.369 1.00 0.00 O ATOM 41 CB SER A 5 -17.093 24.812 -1.674 1.00 0.00 C ATOM 42 OG SER A 5 -15.754 24.866 -2.134 1.00 0.00 O ATOM 0 H SER A 5 -16.834 27.333 -2.725 1.00 0.00 H new ATOM 0 HA SER A 5 -18.512 26.053 -0.643 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.182 24.057 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.749 24.507 -2.489 1.00 0.00 H new ATOM 0 HG SER A 5 -15.489 23.986 -2.474 1.00 0.00 H new ATOM 48 N SER A 6 -16.555 26.067 1.081 1.00 0.00 N ATOM 49 CA SER A 6 -15.649 26.458 2.154 1.00 0.00 C ATOM 50 C SER A 6 -14.238 25.943 1.889 1.00 0.00 C ATOM 51 O SER A 6 -13.272 26.705 1.915 1.00 0.00 O ATOM 52 CB SER A 6 -16.155 25.926 3.496 1.00 0.00 C ATOM 53 OG SER A 6 -15.531 26.595 4.578 1.00 0.00 O ATOM 0 H SER A 6 -17.185 25.301 1.319 1.00 0.00 H new ATOM 0 HA SER A 6 -15.618 27.547 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.235 26.056 3.558 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.958 24.856 3.564 1.00 0.00 H new ATOM 0 HG SER A 6 -15.873 26.238 5.424 1.00 0.00 H new ATOM 59 N GLY A 7 -14.127 24.643 1.634 1.00 0.00 N ATOM 60 CA GLY A 7 -12.831 24.047 1.368 1.00 0.00 C ATOM 61 C GLY A 7 -12.919 22.867 0.421 1.00 0.00 C ATOM 62 O GLY A 7 -13.935 22.648 -0.240 1.00 0.00 O ATOM 0 H GLY A 7 -14.912 23.992 1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.168 24.801 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.384 23.722 2.308 1.00 0.00 H new ATOM 66 N PRO A 8 -11.835 22.081 0.345 1.00 0.00 N ATOM 67 CA PRO A 8 -11.769 20.904 -0.526 1.00 0.00 C ATOM 68 C PRO A 8 -12.673 19.775 -0.044 1.00 0.00 C ATOM 69 O PRO A 8 -12.925 19.635 1.153 1.00 0.00 O ATOM 70 CB PRO A 8 -10.299 20.484 -0.444 1.00 0.00 C ATOM 71 CG PRO A 8 -9.828 21.006 0.869 1.00 0.00 C ATOM 72 CD PRO A 8 -10.589 22.282 1.104 1.00 0.00 C ATOM 0 HA PRO A 8 -12.107 21.126 -1.538 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.193 19.401 -0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.721 20.904 -1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.017 20.286 1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.754 21.189 0.853 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.786 22.443 2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.037 23.151 0.747 1.00 0.00 H new ATOM 80 N THR A 9 -13.159 18.970 -0.984 1.00 0.00 N ATOM 81 CA THR A 9 -14.035 17.853 -0.655 1.00 0.00 C ATOM 82 C THR A 9 -13.342 16.518 -0.903 1.00 0.00 C ATOM 83 O THR A 9 -12.985 16.194 -2.036 1.00 0.00 O ATOM 84 CB THR A 9 -15.339 17.902 -1.474 1.00 0.00 C ATOM 85 OG1 THR A 9 -15.041 17.827 -2.873 1.00 0.00 O ATOM 86 CG2 THR A 9 -16.113 19.179 -1.183 1.00 0.00 C ATOM 0 H THR A 9 -12.960 19.071 -1.979 1.00 0.00 H new ATOM 0 HA THR A 9 -14.276 17.942 0.404 1.00 0.00 H new ATOM 0 HB THR A 9 -15.955 17.050 -1.187 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.180 17.377 -3.000 1.00 0.00 H new ATOM 0 HG21 THR A 9 -17.030 19.191 -1.773 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.363 19.219 -0.123 1.00 0.00 H new ATOM 0 HG23 THR A 9 -15.502 20.043 -1.445 1.00 0.00 H new ATOM 94 N LYS A 10 -13.156 15.747 0.162 1.00 0.00 N ATOM 95 CA LYS A 10 -12.507 14.445 0.060 1.00 0.00 C ATOM 96 C LYS A 10 -13.389 13.455 -0.694 1.00 0.00 C ATOM 97 O LYS A 10 -14.527 13.766 -1.045 1.00 0.00 O ATOM 98 CB LYS A 10 -12.188 13.901 1.455 1.00 0.00 C ATOM 99 CG LYS A 10 -13.422 13.595 2.285 1.00 0.00 C ATOM 100 CD LYS A 10 -13.134 12.548 3.348 1.00 0.00 C ATOM 101 CE LYS A 10 -14.218 12.522 4.414 1.00 0.00 C ATOM 102 NZ LYS A 10 -13.917 11.537 5.489 1.00 0.00 N ATOM 0 H LYS A 10 -13.445 16.001 1.107 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.578 14.572 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.594 12.993 1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.573 14.627 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.778 14.509 2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.222 13.243 1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.058 11.566 2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.170 12.756 3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.321 13.515 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.174 12.275 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.680 11.550 6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.843 10.585 5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.017 11.787 5.947 1.00 0.00 H new ATOM 116 N TYR A 11 -12.857 12.262 -0.937 1.00 0.00 N ATOM 117 CA TYR A 11 -13.596 11.227 -1.650 1.00 0.00 C ATOM 118 C TYR A 11 -13.631 9.931 -0.846 1.00 0.00 C ATOM 119 O TYR A 11 -14.695 9.475 -0.427 1.00 0.00 O ATOM 120 CB TYR A 11 -12.965 10.973 -3.020 1.00 0.00 C ATOM 121 CG TYR A 11 -12.925 12.198 -3.905 1.00 0.00 C ATOM 122 CD1 TYR A 11 -12.104 13.276 -3.597 1.00 0.00 C ATOM 123 CD2 TYR A 11 -13.708 12.278 -5.051 1.00 0.00 C ATOM 124 CE1 TYR A 11 -12.065 14.398 -4.402 1.00 0.00 C ATOM 125 CE2 TYR A 11 -13.674 13.395 -5.863 1.00 0.00 C ATOM 126 CZ TYR A 11 -12.852 14.453 -5.534 1.00 0.00 C ATOM 127 OH TYR A 11 -12.814 15.568 -6.339 1.00 0.00 O ATOM 0 H TYR A 11 -11.917 11.988 -0.651 1.00 0.00 H new ATOM 0 HA TYR A 11 -14.619 11.576 -1.787 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.949 10.603 -2.880 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -13.523 10.187 -3.528 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.485 13.236 -2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -14.354 11.453 -5.311 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -11.422 15.227 -4.147 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -14.288 13.440 -6.751 1.00 0.00 H new ATOM 0 HH TYR A 11 -13.426 15.447 -7.095 1.00 0.00 H new ATOM 137 N LYS A 12 -12.459 9.342 -0.634 1.00 0.00 N ATOM 138 CA LYS A 12 -12.353 8.099 0.121 1.00 0.00 C ATOM 139 C LYS A 12 -10.895 7.771 0.426 1.00 0.00 C ATOM 140 O LYS A 12 -9.988 8.242 -0.260 1.00 0.00 O ATOM 141 CB LYS A 12 -12.994 6.948 -0.657 1.00 0.00 C ATOM 142 CG LYS A 12 -12.311 6.656 -1.982 1.00 0.00 C ATOM 143 CD LYS A 12 -11.193 5.640 -1.821 1.00 0.00 C ATOM 144 CE LYS A 12 -10.866 4.957 -3.140 1.00 0.00 C ATOM 145 NZ LYS A 12 -10.198 5.885 -4.095 1.00 0.00 N ATOM 0 H LYS A 12 -11.569 9.706 -0.975 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.883 8.230 1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.974 6.049 -0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.042 7.184 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.045 6.281 -2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.907 7.580 -2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.302 6.136 -1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.484 4.891 -1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.219 4.100 -2.954 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.783 4.574 -3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.992 5.382 -4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.825 6.691 -4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.310 6.231 -3.679 1.00 0.00 H new ATOM 159 N GLU A 13 -10.678 6.960 1.457 1.00 0.00 N ATOM 160 CA GLU A 13 -9.329 6.569 1.850 1.00 0.00 C ATOM 161 C GLU A 13 -9.245 5.064 2.083 1.00 0.00 C ATOM 162 O GLU A 13 -10.266 4.383 2.186 1.00 0.00 O ATOM 163 CB GLU A 13 -8.907 7.317 3.117 1.00 0.00 C ATOM 164 CG GLU A 13 -8.649 8.797 2.893 1.00 0.00 C ATOM 165 CD GLU A 13 -8.025 9.470 4.100 1.00 0.00 C ATOM 166 OE1 GLU A 13 -6.838 9.201 4.380 1.00 0.00 O ATOM 167 OE2 GLU A 13 -8.722 10.265 4.764 1.00 0.00 O ATOM 0 H GLU A 13 -11.418 6.561 2.035 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.651 6.832 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.685 7.203 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.004 6.856 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.992 8.921 2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.589 9.293 2.651 1.00 0.00 H new ATOM 174 N ARG A 14 -8.022 4.551 2.163 1.00 0.00 N ATOM 175 CA ARG A 14 -7.804 3.126 2.382 1.00 0.00 C ATOM 176 C ARG A 14 -8.525 2.652 3.640 1.00 0.00 C ATOM 177 O ARG A 14 -9.126 3.449 4.360 1.00 0.00 O ATOM 178 CB ARG A 14 -6.307 2.829 2.496 1.00 0.00 C ATOM 179 CG ARG A 14 -5.512 3.223 1.261 1.00 0.00 C ATOM 180 CD ARG A 14 -5.656 2.190 0.154 1.00 0.00 C ATOM 181 NE ARG A 14 -5.497 2.784 -1.171 1.00 0.00 N ATOM 182 CZ ARG A 14 -6.451 3.473 -1.787 1.00 0.00 C ATOM 183 NH1 ARG A 14 -7.626 3.655 -1.200 1.00 0.00 N ATOM 184 NH2 ARG A 14 -6.230 3.982 -2.992 1.00 0.00 N ATOM 0 H ARG A 14 -7.167 5.101 2.079 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.211 2.586 1.527 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.905 3.358 3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.170 1.764 2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.853 4.194 0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.460 3.332 1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.912 1.405 0.291 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.635 1.717 0.224 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.604 2.663 -1.649 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.799 3.266 -0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.357 4.185 -1.675 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.327 3.844 -3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.963 4.511 -3.464 1.00 0.00 H new ATOM 198 N ALA A 15 -8.460 1.350 3.898 1.00 0.00 N ATOM 199 CA ALA A 15 -9.105 0.770 5.070 1.00 0.00 C ATOM 200 C ALA A 15 -8.172 0.791 6.276 1.00 0.00 C ATOM 201 O ALA A 15 -6.948 0.764 6.145 1.00 0.00 O ATOM 202 CB ALA A 15 -9.557 -0.652 4.774 1.00 0.00 C ATOM 0 H ALA A 15 -7.967 0.677 3.311 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.980 1.375 5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.037 -1.073 5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.266 -0.644 3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.693 -1.260 4.506 1.00 0.00 H new ATOM 208 N PRO A 16 -8.762 0.840 7.480 1.00 0.00 N ATOM 209 CA PRO A 16 -8.002 0.865 8.733 1.00 0.00 C ATOM 210 C PRO A 16 -7.309 -0.463 9.018 1.00 0.00 C ATOM 211 O PRO A 16 -6.403 -0.535 9.847 1.00 0.00 O ATOM 212 CB PRO A 16 -9.071 1.147 9.791 1.00 0.00 C ATOM 213 CG PRO A 16 -10.339 0.645 9.192 1.00 0.00 C ATOM 214 CD PRO A 16 -10.216 0.873 7.710 1.00 0.00 C ATOM 0 HA PRO A 16 -7.201 1.604 8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.846 0.636 10.727 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.134 2.212 10.016 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.483 -0.412 9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.200 1.176 9.598 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.731 0.099 7.140 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.648 1.829 7.413 1.00 0.00 H new ATOM 222 N GLU A 17 -7.740 -1.512 8.324 1.00 0.00 N ATOM 223 CA GLU A 17 -7.160 -2.837 8.503 1.00 0.00 C ATOM 224 C GLU A 17 -6.034 -3.078 7.502 1.00 0.00 C ATOM 225 O GLU A 17 -5.076 -3.794 7.793 1.00 0.00 O ATOM 226 CB GLU A 17 -8.236 -3.914 8.347 1.00 0.00 C ATOM 227 CG GLU A 17 -9.286 -3.890 9.445 1.00 0.00 C ATOM 228 CD GLU A 17 -10.579 -4.566 9.030 1.00 0.00 C ATOM 229 OE1 GLU A 17 -10.547 -5.780 8.738 1.00 0.00 O ATOM 230 OE2 GLU A 17 -11.622 -3.880 8.999 1.00 0.00 O ATOM 0 H GLU A 17 -8.489 -1.469 7.633 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.745 -2.891 9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.728 -3.787 7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.758 -4.894 8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.890 -4.384 10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.493 -2.856 9.722 1.00 0.00 H new ATOM 237 N GLN A 18 -6.158 -2.476 6.324 1.00 0.00 N ATOM 238 CA GLN A 18 -5.152 -2.627 5.280 1.00 0.00 C ATOM 239 C GLN A 18 -3.916 -1.789 5.591 1.00 0.00 C ATOM 240 O GLN A 18 -2.796 -2.300 5.613 1.00 0.00 O ATOM 241 CB GLN A 18 -5.729 -2.221 3.923 1.00 0.00 C ATOM 242 CG GLN A 18 -6.967 -3.011 3.528 1.00 0.00 C ATOM 243 CD GLN A 18 -7.448 -2.680 2.129 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.492 -2.051 1.951 1.00 0.00 O ATOM 245 NE2 GLN A 18 -6.689 -3.105 1.126 1.00 0.00 N ATOM 0 H GLN A 18 -6.945 -1.879 6.069 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.858 -3.676 5.242 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.977 -1.160 3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.964 -2.353 3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.748 -4.077 3.590 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.766 -2.807 4.241 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.832 -3.623 1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.963 -2.914 0.162 1.00 0.00 H new ATOM 254 N LEU A 19 -4.126 -0.499 5.829 1.00 0.00 N ATOM 255 CA LEU A 19 -3.029 0.411 6.138 1.00 0.00 C ATOM 256 C LEU A 19 -2.153 -0.152 7.253 1.00 0.00 C ATOM 257 O LEU A 19 -0.926 -0.147 7.154 1.00 0.00 O ATOM 258 CB LEU A 19 -3.575 1.780 6.545 1.00 0.00 C ATOM 259 CG LEU A 19 -3.997 2.702 5.400 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.586 3.994 5.944 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.815 2.995 4.488 1.00 0.00 C ATOM 0 H LEU A 19 -5.046 -0.060 5.814 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.418 0.522 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.435 1.627 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.815 2.291 7.135 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.765 2.195 4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.880 4.637 5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.460 3.767 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.841 4.506 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.134 3.652 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.025 3.481 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.438 2.062 4.070 1.00 0.00 H new ATOM 273 N ARG A 20 -2.792 -0.637 8.313 1.00 0.00 N ATOM 274 CA ARG A 20 -2.071 -1.204 9.446 1.00 0.00 C ATOM 275 C ARG A 20 -0.906 -2.068 8.972 1.00 0.00 C ATOM 276 O ARG A 20 0.189 -2.012 9.531 1.00 0.00 O ATOM 277 CB ARG A 20 -3.016 -2.036 10.315 1.00 0.00 C ATOM 278 CG ARG A 20 -2.322 -2.741 11.468 1.00 0.00 C ATOM 279 CD ARG A 20 -3.288 -3.035 12.605 1.00 0.00 C ATOM 280 NE ARG A 20 -4.008 -4.289 12.401 1.00 0.00 N ATOM 281 CZ ARG A 20 -4.677 -4.916 13.362 1.00 0.00 C ATOM 282 NH1 ARG A 20 -4.719 -4.408 14.586 1.00 0.00 N ATOM 283 NH2 ARG A 20 -5.307 -6.054 13.099 1.00 0.00 N ATOM 0 H ARG A 20 -3.807 -0.649 8.411 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.673 -0.381 10.039 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.795 -1.387 10.714 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.510 -2.780 9.690 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.881 -3.673 11.114 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.504 -2.121 11.835 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.738 -3.082 13.545 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.003 -2.217 12.694 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.997 -4.706 11.470 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.237 -3.533 14.792 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.234 -4.892 15.322 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.278 -6.448 12.158 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.821 -6.535 13.837 1.00 0.00 H new ATOM 297 N ALA A 21 -1.151 -2.867 7.939 1.00 0.00 N ATOM 298 CA ALA A 21 -0.123 -3.742 7.389 1.00 0.00 C ATOM 299 C ALA A 21 0.868 -2.956 6.537 1.00 0.00 C ATOM 300 O ALA A 21 2.082 -3.087 6.699 1.00 0.00 O ATOM 301 CB ALA A 21 -0.759 -4.855 6.570 1.00 0.00 C ATOM 0 H ALA A 21 -2.053 -2.926 7.466 1.00 0.00 H new ATOM 0 HA ALA A 21 0.424 -4.186 8.221 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.021 -5.500 6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.422 -5.442 7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.332 -4.422 5.751 1.00 0.00 H new ATOM 307 N LEU A 22 0.344 -2.140 5.629 1.00 0.00 N ATOM 308 CA LEU A 22 1.183 -1.333 4.750 1.00 0.00 C ATOM 309 C LEU A 22 2.083 -0.404 5.559 1.00 0.00 C ATOM 310 O LEU A 22 3.306 -0.537 5.537 1.00 0.00 O ATOM 311 CB LEU A 22 0.314 -0.514 3.794 1.00 0.00 C ATOM 312 CG LEU A 22 -0.573 -1.314 2.840 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.599 -0.408 2.179 1.00 0.00 C ATOM 314 CD2 LEU A 22 0.274 -2.020 1.791 1.00 0.00 C ATOM 0 H LEU A 22 -0.658 -2.020 5.482 1.00 0.00 H new ATOM 0 HA LEU A 22 1.814 -2.007 4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.324 0.142 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.966 0.126 3.200 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.106 -2.070 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.221 -0.995 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.226 0.050 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.086 0.371 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.374 -2.585 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.834 -1.281 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.969 -2.701 2.283 1.00 0.00 H new ATOM 326 N GLU A 23 1.469 0.534 6.273 1.00 0.00 N ATOM 327 CA GLU A 23 2.216 1.483 7.090 1.00 0.00 C ATOM 328 C GLU A 23 3.296 0.772 7.900 1.00 0.00 C ATOM 329 O GLU A 23 4.450 1.199 7.926 1.00 0.00 O ATOM 330 CB GLU A 23 1.271 2.236 8.029 1.00 0.00 C ATOM 331 CG GLU A 23 0.517 3.369 7.354 1.00 0.00 C ATOM 332 CD GLU A 23 1.304 4.665 7.335 1.00 0.00 C ATOM 333 OE1 GLU A 23 1.825 5.058 8.400 1.00 0.00 O ATOM 334 OE2 GLU A 23 1.399 5.285 6.255 1.00 0.00 O ATOM 0 H GLU A 23 0.457 0.657 6.302 1.00 0.00 H new ATOM 0 HA GLU A 23 2.698 2.197 6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.552 1.532 8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.846 2.639 8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.275 3.080 6.331 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.428 3.530 7.872 1.00 0.00 H new ATOM 341 N SER A 24 2.912 -0.316 8.560 1.00 0.00 N ATOM 342 CA SER A 24 3.845 -1.085 9.375 1.00 0.00 C ATOM 343 C SER A 24 5.058 -1.514 8.554 1.00 0.00 C ATOM 344 O SER A 24 6.194 -1.443 9.021 1.00 0.00 O ATOM 345 CB SER A 24 3.150 -2.316 9.960 1.00 0.00 C ATOM 346 OG SER A 24 3.998 -2.996 10.870 1.00 0.00 O ATOM 0 H SER A 24 1.961 -0.685 8.546 1.00 0.00 H new ATOM 0 HA SER A 24 4.187 -0.448 10.191 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.234 -2.013 10.468 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.860 -2.991 9.155 1.00 0.00 H new ATOM 0 HG SER A 24 3.530 -3.778 11.231 1.00 0.00 H new ATOM 352 N SER A 25 4.806 -1.958 7.327 1.00 0.00 N ATOM 353 CA SER A 25 5.876 -2.403 6.440 1.00 0.00 C ATOM 354 C SER A 25 6.714 -1.220 5.965 1.00 0.00 C ATOM 355 O SER A 25 7.943 -1.285 5.938 1.00 0.00 O ATOM 356 CB SER A 25 5.294 -3.146 5.237 1.00 0.00 C ATOM 357 OG SER A 25 6.319 -3.576 4.358 1.00 0.00 O ATOM 0 H SER A 25 3.871 -2.019 6.924 1.00 0.00 H new ATOM 0 HA SER A 25 6.520 -3.081 6.999 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.720 -4.007 5.580 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.602 -2.494 4.703 1.00 0.00 H new ATOM 0 HG SER A 25 6.372 -4.554 4.371 1.00 0.00 H new ATOM 363 N PHE A 26 6.039 -0.138 5.590 1.00 0.00 N ATOM 364 CA PHE A 26 6.720 1.061 5.114 1.00 0.00 C ATOM 365 C PHE A 26 7.910 1.401 6.006 1.00 0.00 C ATOM 366 O PHE A 26 9.022 1.611 5.523 1.00 0.00 O ATOM 367 CB PHE A 26 5.748 2.242 5.070 1.00 0.00 C ATOM 368 CG PHE A 26 6.298 3.445 4.358 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.800 3.336 3.071 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.314 4.684 4.976 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.307 4.441 2.415 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.820 5.793 4.325 1.00 0.00 C ATOM 373 CZ PHE A 26 7.316 5.671 3.042 1.00 0.00 C ATOM 0 H PHE A 26 5.022 -0.067 5.606 1.00 0.00 H new ATOM 0 HA PHE A 26 7.088 0.864 4.107 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.828 1.927 4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.483 2.523 6.089 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.795 2.376 2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.926 4.785 5.979 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.696 4.343 1.412 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.828 6.753 4.819 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.710 6.536 2.530 1.00 0.00 H new ATOM 383 N ALA A 27 7.667 1.454 7.312 1.00 0.00 N ATOM 384 CA ALA A 27 8.718 1.767 8.272 1.00 0.00 C ATOM 385 C ALA A 27 9.986 0.971 7.978 1.00 0.00 C ATOM 386 O ALA A 27 11.096 1.450 8.208 1.00 0.00 O ATOM 387 CB ALA A 27 8.237 1.491 9.689 1.00 0.00 C ATOM 0 H ALA A 27 6.752 1.284 7.729 1.00 0.00 H new ATOM 0 HA ALA A 27 8.956 2.827 8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.032 1.729 10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.364 2.107 9.903 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.970 0.438 9.784 1.00 0.00 H new ATOM 393 N GLN A 28 9.811 -0.244 7.469 1.00 0.00 N ATOM 394 CA GLN A 28 10.942 -1.105 7.145 1.00 0.00 C ATOM 395 C GLN A 28 11.545 -0.727 5.796 1.00 0.00 C ATOM 396 O GLN A 28 12.758 -0.561 5.672 1.00 0.00 O ATOM 397 CB GLN A 28 10.506 -2.571 7.129 1.00 0.00 C ATOM 398 CG GLN A 28 9.845 -3.023 8.421 1.00 0.00 C ATOM 399 CD GLN A 28 10.779 -2.945 9.613 1.00 0.00 C ATOM 400 OE1 GLN A 28 10.781 -1.959 10.351 1.00 0.00 O ATOM 401 NE2 GLN A 28 11.579 -3.986 9.808 1.00 0.00 N ATOM 0 H GLN A 28 8.898 -0.654 7.272 1.00 0.00 H new ATOM 0 HA GLN A 28 11.702 -0.968 7.914 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.813 -2.726 6.302 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.377 -3.198 6.937 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.967 -2.405 8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.494 -4.049 8.306 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.544 -4.782 9.172 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.229 -3.990 10.594 1.00 0.00 H new ATOM 410 N ASN A 29 10.690 -0.594 4.788 1.00 0.00 N ATOM 411 CA ASN A 29 11.139 -0.236 3.447 1.00 0.00 C ATOM 412 C ASN A 29 9.995 0.359 2.631 1.00 0.00 C ATOM 413 O ASN A 29 8.843 -0.063 2.731 1.00 0.00 O ATOM 414 CB ASN A 29 11.705 -1.464 2.732 1.00 0.00 C ATOM 415 CG ASN A 29 10.712 -2.609 2.676 1.00 0.00 C ATOM 416 OD1 ASN A 29 9.576 -2.484 3.133 1.00 0.00 O ATOM 417 ND2 ASN A 29 11.138 -3.735 2.113 1.00 0.00 N ATOM 0 H ASN A 29 9.683 -0.729 4.874 1.00 0.00 H new ATOM 0 HA ASN A 29 11.923 0.515 3.542 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.996 -1.189 1.718 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.609 -1.795 3.244 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.515 -4.540 2.047 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.088 -3.794 1.747 1.00 0.00 H new ATOM 424 N PRO A 30 10.319 1.364 1.804 1.00 0.00 N ATOM 425 CA PRO A 30 9.334 2.038 0.954 1.00 0.00 C ATOM 426 C PRO A 30 8.830 1.143 -0.173 1.00 0.00 C ATOM 427 O PRO A 30 7.653 1.181 -0.531 1.00 0.00 O ATOM 428 CB PRO A 30 10.111 3.228 0.384 1.00 0.00 C ATOM 429 CG PRO A 30 11.538 2.802 0.425 1.00 0.00 C ATOM 430 CD PRO A 30 11.673 1.919 1.634 1.00 0.00 C ATOM 0 HA PRO A 30 8.442 2.321 1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.795 3.456 -0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.949 4.128 0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.811 2.264 -0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.201 3.665 0.496 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.412 1.134 1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.989 2.484 2.511 1.00 0.00 H new ATOM 438 N LEU A 31 9.729 0.337 -0.728 1.00 0.00 N ATOM 439 CA LEU A 31 9.375 -0.570 -1.815 1.00 0.00 C ATOM 440 C LEU A 31 9.799 -1.999 -1.491 1.00 0.00 C ATOM 441 O LEU A 31 10.862 -2.466 -1.901 1.00 0.00 O ATOM 442 CB LEU A 31 10.032 -0.115 -3.119 1.00 0.00 C ATOM 443 CG LEU A 31 9.508 1.193 -3.714 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.197 1.493 -5.036 1.00 0.00 C ATOM 445 CD2 LEU A 31 7.999 1.128 -3.899 1.00 0.00 C ATOM 0 H LEU A 31 10.708 0.293 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 31 8.292 -0.550 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.103 -0.008 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.906 -0.904 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 31 9.734 2.002 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.811 2.427 -5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.271 1.584 -4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.004 0.683 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.644 2.067 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.750 0.308 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.521 0.962 -2.934 1.00 0.00 H new ATOM 457 N PRO A 32 8.948 -2.713 -0.739 1.00 0.00 N ATOM 458 CA PRO A 32 9.211 -4.100 -0.346 1.00 0.00 C ATOM 459 C PRO A 32 9.130 -5.063 -1.526 1.00 0.00 C ATOM 460 O PRO A 32 8.478 -4.775 -2.531 1.00 0.00 O ATOM 461 CB PRO A 32 8.101 -4.399 0.666 1.00 0.00 C ATOM 462 CG PRO A 32 6.998 -3.465 0.304 1.00 0.00 C ATOM 463 CD PRO A 32 7.663 -2.220 -0.215 1.00 0.00 C ATOM 0 HA PRO A 32 10.217 -4.226 0.054 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.777 -5.438 0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.441 -4.233 1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.347 -3.904 -0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.375 -3.242 1.170 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.069 -1.742 -0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.807 -1.482 0.575 1.00 0.00 H new ATOM 471 N LEU A 33 9.794 -6.206 -1.398 1.00 0.00 N ATOM 472 CA LEU A 33 9.796 -7.212 -2.454 1.00 0.00 C ATOM 473 C LEU A 33 8.499 -8.014 -2.445 1.00 0.00 C ATOM 474 O LEU A 33 7.633 -7.804 -1.595 1.00 0.00 O ATOM 475 CB LEU A 33 10.992 -8.152 -2.288 1.00 0.00 C ATOM 476 CG LEU A 33 12.363 -7.556 -2.606 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.470 -8.519 -2.206 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.464 -7.208 -4.084 1.00 0.00 C ATOM 0 H LEU A 33 10.338 -6.459 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 33 9.876 -6.698 -3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.005 -8.513 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.838 -9.020 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 33 12.482 -6.639 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.439 -8.077 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.411 -8.717 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.355 -9.454 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.447 -6.785 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.323 -8.109 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.694 -6.480 -4.340 1.00 0.00 H new ATOM 490 N ASP A 34 8.372 -8.935 -3.394 1.00 0.00 N ATOM 491 CA ASP A 34 7.182 -9.772 -3.493 1.00 0.00 C ATOM 492 C ASP A 34 6.955 -10.550 -2.201 1.00 0.00 C ATOM 493 O ASP A 34 5.833 -10.628 -1.701 1.00 0.00 O ATOM 494 CB ASP A 34 7.310 -10.740 -4.670 1.00 0.00 C ATOM 495 CG ASP A 34 8.746 -11.152 -4.927 1.00 0.00 C ATOM 496 OD1 ASP A 34 9.290 -11.942 -4.127 1.00 0.00 O ATOM 497 OD2 ASP A 34 9.326 -10.685 -5.930 1.00 0.00 O ATOM 0 H ASP A 34 9.079 -9.121 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 34 6.323 -9.121 -3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.710 -11.628 -4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.903 -10.273 -5.567 1.00 0.00 H new ATOM 502 N GLU A 35 8.028 -11.124 -1.666 1.00 0.00 N ATOM 503 CA GLU A 35 7.945 -11.898 -0.432 1.00 0.00 C ATOM 504 C GLU A 35 7.232 -11.105 0.660 1.00 0.00 C ATOM 505 O GLU A 35 6.134 -11.464 1.084 1.00 0.00 O ATOM 506 CB GLU A 35 9.344 -12.296 0.042 1.00 0.00 C ATOM 507 CG GLU A 35 10.145 -13.060 -1.000 1.00 0.00 C ATOM 508 CD GLU A 35 11.282 -13.858 -0.391 1.00 0.00 C ATOM 509 OE1 GLU A 35 11.020 -14.966 0.121 1.00 0.00 O ATOM 510 OE2 GLU A 35 12.432 -13.374 -0.428 1.00 0.00 O ATOM 0 H GLU A 35 8.964 -11.068 -2.067 1.00 0.00 H new ATOM 0 HA GLU A 35 7.369 -12.800 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.893 -11.397 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.254 -12.908 0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.481 -13.735 -1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.549 -12.358 -1.729 1.00 0.00 H new ATOM 517 N GLU A 36 7.866 -10.027 1.110 1.00 0.00 N ATOM 518 CA GLU A 36 7.294 -9.185 2.153 1.00 0.00 C ATOM 519 C GLU A 36 5.879 -8.747 1.784 1.00 0.00 C ATOM 520 O GLU A 36 5.042 -8.511 2.657 1.00 0.00 O ATOM 521 CB GLU A 36 8.174 -7.956 2.388 1.00 0.00 C ATOM 522 CG GLU A 36 7.501 -6.873 3.215 1.00 0.00 C ATOM 523 CD GLU A 36 6.893 -7.411 4.496 1.00 0.00 C ATOM 524 OE1 GLU A 36 7.439 -8.389 5.047 1.00 0.00 O ATOM 525 OE2 GLU A 36 5.872 -6.852 4.947 1.00 0.00 O ATOM 0 H GLU A 36 8.776 -9.717 0.769 1.00 0.00 H new ATOM 0 HA GLU A 36 7.247 -9.771 3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.091 -8.267 2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.464 -7.538 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.231 -6.101 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.722 -6.397 2.619 1.00 0.00 H new ATOM 532 N LEU A 37 5.619 -8.641 0.486 1.00 0.00 N ATOM 533 CA LEU A 37 4.306 -8.231 0.000 1.00 0.00 C ATOM 534 C LEU A 37 3.314 -9.387 0.071 1.00 0.00 C ATOM 535 O LEU A 37 2.117 -9.179 0.270 1.00 0.00 O ATOM 536 CB LEU A 37 4.410 -7.721 -1.439 1.00 0.00 C ATOM 537 CG LEU A 37 5.006 -6.324 -1.615 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.503 -6.132 -3.039 1.00 0.00 C ATOM 539 CD2 LEU A 37 3.982 -5.258 -1.257 1.00 0.00 C ATOM 0 H LEU A 37 6.300 -8.833 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 37 3.944 -7.426 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.014 -8.426 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.412 -7.726 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 37 5.855 -6.224 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.924 -5.132 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.270 -6.874 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.672 -6.252 -3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.424 -4.270 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.113 -5.356 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.675 -5.383 -0.219 1.00 0.00 H new ATOM 551 N ASP A 38 3.820 -10.605 -0.089 1.00 0.00 N ATOM 552 CA ASP A 38 2.978 -11.795 -0.039 1.00 0.00 C ATOM 553 C ASP A 38 2.299 -11.923 1.321 1.00 0.00 C ATOM 554 O ASP A 38 1.180 -12.427 1.422 1.00 0.00 O ATOM 555 CB ASP A 38 3.810 -13.046 -0.328 1.00 0.00 C ATOM 556 CG ASP A 38 2.958 -14.295 -0.437 1.00 0.00 C ATOM 557 OD1 ASP A 38 2.091 -14.346 -1.335 1.00 0.00 O ATOM 558 OD2 ASP A 38 3.158 -15.222 0.375 1.00 0.00 O ATOM 0 H ASP A 38 4.809 -10.794 -0.254 1.00 0.00 H new ATOM 0 HA ASP A 38 2.206 -11.697 -0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.363 -12.905 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.547 -13.180 0.464 1.00 0.00 H new ATOM 563 N ARG A 39 2.984 -11.466 2.364 1.00 0.00 N ATOM 564 CA ARG A 39 2.448 -11.532 3.719 1.00 0.00 C ATOM 565 C ARG A 39 1.355 -10.487 3.922 1.00 0.00 C ATOM 566 O ARG A 39 0.255 -10.803 4.379 1.00 0.00 O ATOM 567 CB ARG A 39 3.565 -11.324 4.743 1.00 0.00 C ATOM 568 CG ARG A 39 3.135 -11.593 6.176 1.00 0.00 C ATOM 569 CD ARG A 39 4.247 -11.270 7.161 1.00 0.00 C ATOM 570 NE ARG A 39 5.274 -12.307 7.188 1.00 0.00 N ATOM 571 CZ ARG A 39 6.395 -12.214 7.895 1.00 0.00 C ATOM 572 NH1 ARG A 39 6.631 -11.137 8.630 1.00 0.00 N ATOM 573 NH2 ARG A 39 7.282 -13.200 7.868 1.00 0.00 N ATOM 0 H ARG A 39 3.911 -11.046 2.297 1.00 0.00 H new ATOM 0 HA ARG A 39 2.013 -12.521 3.863 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.401 -11.978 4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.929 -10.299 4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.254 -10.995 6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.847 -12.639 6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.702 -10.316 6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.824 -11.153 8.159 1.00 0.00 H new ATOM 0 HE ARG A 39 5.123 -13.150 6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.951 -10.377 8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.492 -11.068 9.172 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.104 -14.031 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.142 -13.127 8.411 1.00 0.00 H new ATOM 587 N LEU A 40 1.665 -9.241 3.581 1.00 0.00 N ATOM 588 CA LEU A 40 0.710 -8.148 3.727 1.00 0.00 C ATOM 589 C LEU A 40 -0.580 -8.446 2.968 1.00 0.00 C ATOM 590 O LEU A 40 -1.678 -8.257 3.491 1.00 0.00 O ATOM 591 CB LEU A 40 1.321 -6.840 3.222 1.00 0.00 C ATOM 592 CG LEU A 40 2.546 -6.333 3.984 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.220 -5.203 3.221 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.153 -5.875 5.381 1.00 0.00 C ATOM 0 H LEU A 40 2.570 -8.962 3.202 1.00 0.00 H new ATOM 0 HA LEU A 40 0.472 -8.046 4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.598 -6.972 2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.553 -6.067 3.254 1.00 0.00 H new ATOM 0 HG LEU A 40 3.256 -7.154 4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.090 -4.855 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.537 -5.563 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.517 -4.380 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.037 -5.517 5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.423 -5.069 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.717 -6.710 5.929 1.00 0.00 H new ATOM 606 N ARG A 41 -0.438 -8.916 1.733 1.00 0.00 N ATOM 607 CA ARG A 41 -1.591 -9.242 0.902 1.00 0.00 C ATOM 608 C ARG A 41 -2.683 -9.914 1.729 1.00 0.00 C ATOM 609 O ARG A 41 -3.873 -9.705 1.492 1.00 0.00 O ATOM 610 CB ARG A 41 -1.173 -10.156 -0.251 1.00 0.00 C ATOM 611 CG ARG A 41 -0.626 -9.407 -1.455 1.00 0.00 C ATOM 612 CD ARG A 41 -0.483 -10.321 -2.662 1.00 0.00 C ATOM 613 NE ARG A 41 -1.508 -11.360 -2.686 1.00 0.00 N ATOM 614 CZ ARG A 41 -1.399 -12.515 -2.038 1.00 0.00 C ATOM 615 NH1 ARG A 41 -0.316 -12.775 -1.318 1.00 0.00 N ATOM 616 NH2 ARG A 41 -2.375 -13.411 -2.108 1.00 0.00 N ATOM 0 H ARG A 41 0.464 -9.080 1.286 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.988 -8.313 0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.416 -10.854 0.106 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.032 -10.749 -0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.290 -8.578 -1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.344 -8.976 -1.207 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.546 -9.729 -3.575 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.503 -10.785 -2.651 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.354 -11.190 -3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.435 -12.088 -1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.235 -13.662 -0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.210 -13.214 -2.660 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.290 -14.297 -1.610 1.00 0.00 H new ATOM 630 N SER A 42 -2.271 -10.724 2.699 1.00 0.00 N ATOM 631 CA SER A 42 -3.214 -11.431 3.558 1.00 0.00 C ATOM 632 C SER A 42 -4.071 -10.447 4.348 1.00 0.00 C ATOM 633 O SER A 42 -5.285 -10.614 4.457 1.00 0.00 O ATOM 634 CB SER A 42 -2.466 -12.358 4.517 1.00 0.00 C ATOM 635 OG SER A 42 -1.639 -13.265 3.809 1.00 0.00 O ATOM 0 H SER A 42 -1.290 -10.907 2.910 1.00 0.00 H new ATOM 0 HA SER A 42 -3.869 -12.028 2.924 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.859 -11.765 5.201 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.182 -12.912 5.125 1.00 0.00 H new ATOM 0 HG SER A 42 -1.171 -13.845 4.445 1.00 0.00 H new ATOM 641 N GLU A 43 -3.429 -9.421 4.898 1.00 0.00 N ATOM 642 CA GLU A 43 -4.132 -8.411 5.680 1.00 0.00 C ATOM 643 C GLU A 43 -4.782 -7.373 4.768 1.00 0.00 C ATOM 644 O GLU A 43 -5.967 -7.065 4.904 1.00 0.00 O ATOM 645 CB GLU A 43 -3.170 -7.722 6.649 1.00 0.00 C ATOM 646 CG GLU A 43 -2.393 -8.691 7.525 1.00 0.00 C ATOM 647 CD GLU A 43 -3.165 -9.109 8.761 1.00 0.00 C ATOM 648 OE1 GLU A 43 -3.138 -8.360 9.760 1.00 0.00 O ATOM 649 OE2 GLU A 43 -3.798 -10.185 8.728 1.00 0.00 O ATOM 0 H GLU A 43 -2.424 -9.268 4.816 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.915 -8.911 6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.466 -7.115 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.735 -7.041 7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.139 -9.577 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.454 -8.228 7.827 1.00 0.00 H new ATOM 656 N THR A 44 -3.997 -6.836 3.839 1.00 0.00 N ATOM 657 CA THR A 44 -4.494 -5.832 2.907 1.00 0.00 C ATOM 658 C THR A 44 -5.488 -6.439 1.923 1.00 0.00 C ATOM 659 O THR A 44 -6.337 -5.739 1.371 1.00 0.00 O ATOM 660 CB THR A 44 -3.342 -5.180 2.118 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.517 -6.191 1.529 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.500 -4.295 3.023 1.00 0.00 C ATOM 0 H THR A 44 -3.015 -7.080 3.712 1.00 0.00 H new ATOM 0 HA THR A 44 -4.996 -5.069 3.502 1.00 0.00 H new ATOM 0 HB THR A 44 -3.774 -4.562 1.331 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.641 -5.811 1.310 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.693 -3.846 2.444 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.125 -3.508 3.446 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.078 -4.896 3.829 1.00 0.00 H new ATOM 670 N LYS A 45 -5.379 -7.746 1.709 1.00 0.00 N ATOM 671 CA LYS A 45 -6.269 -8.449 0.794 1.00 0.00 C ATOM 672 C LYS A 45 -6.224 -7.824 -0.597 1.00 0.00 C ATOM 673 O LYS A 45 -7.238 -7.760 -1.292 1.00 0.00 O ATOM 674 CB LYS A 45 -7.704 -8.427 1.328 1.00 0.00 C ATOM 675 CG LYS A 45 -7.829 -8.935 2.754 1.00 0.00 C ATOM 676 CD LYS A 45 -7.797 -10.453 2.810 1.00 0.00 C ATOM 677 CE LYS A 45 -9.135 -11.054 2.405 1.00 0.00 C ATOM 678 NZ LYS A 45 -9.222 -11.274 0.935 1.00 0.00 N ATOM 0 H LYS A 45 -4.682 -8.340 2.158 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.931 -9.482 0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.085 -7.407 1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.334 -9.034 0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.017 -8.531 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.760 -8.573 3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.014 -10.826 2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.543 -10.776 3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.279 -12.002 2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.941 -10.392 2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.821 -10.538 0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.269 -11.229 0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.637 -12.209 0.748 1.00 0.00 H new ATOM 692 N MET A 46 -5.043 -7.365 -0.997 1.00 0.00 N ATOM 693 CA MET A 46 -4.866 -6.748 -2.306 1.00 0.00 C ATOM 694 C MET A 46 -3.815 -7.494 -3.122 1.00 0.00 C ATOM 695 O MET A 46 -3.306 -8.532 -2.697 1.00 0.00 O ATOM 696 CB MET A 46 -4.461 -5.281 -2.151 1.00 0.00 C ATOM 697 CG MET A 46 -5.477 -4.448 -1.386 1.00 0.00 C ATOM 698 SD MET A 46 -5.409 -2.699 -1.820 1.00 0.00 S ATOM 699 CE MET A 46 -3.706 -2.316 -1.418 1.00 0.00 C ATOM 0 H MET A 46 -4.194 -7.409 -0.433 1.00 0.00 H new ATOM 0 HA MET A 46 -5.817 -6.801 -2.836 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.501 -5.230 -1.638 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.317 -4.846 -3.140 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.478 -4.829 -1.586 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.301 -4.560 -0.316 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.556 -1.237 -1.462 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.480 -2.673 -0.413 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.045 -2.804 -2.134 1.00 0.00 H new ATOM 709 N THR A 47 -3.494 -6.960 -4.296 1.00 0.00 N ATOM 710 CA THR A 47 -2.505 -7.576 -5.171 1.00 0.00 C ATOM 711 C THR A 47 -1.172 -6.839 -5.099 1.00 0.00 C ATOM 712 O THR A 47 -1.089 -5.738 -4.554 1.00 0.00 O ATOM 713 CB THR A 47 -2.987 -7.600 -6.634 1.00 0.00 C ATOM 714 OG1 THR A 47 -3.447 -6.300 -7.020 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.105 -8.614 -6.819 1.00 0.00 C ATOM 0 H THR A 47 -3.905 -6.102 -4.663 1.00 0.00 H new ATOM 0 HA THR A 47 -2.370 -8.600 -4.824 1.00 0.00 H new ATOM 0 HB THR A 47 -2.147 -7.890 -7.265 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.750 -6.324 -7.952 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.429 -8.613 -7.860 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.743 -9.607 -6.553 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.946 -8.350 -6.177 1.00 0.00 H new ATOM 723 N ARG A 48 -0.131 -7.453 -5.653 1.00 0.00 N ATOM 724 CA ARG A 48 1.198 -6.855 -5.650 1.00 0.00 C ATOM 725 C ARG A 48 1.190 -5.508 -6.367 1.00 0.00 C ATOM 726 O ARG A 48 1.719 -4.520 -5.859 1.00 0.00 O ATOM 727 CB ARG A 48 2.204 -7.794 -6.318 1.00 0.00 C ATOM 728 CG ARG A 48 2.875 -8.755 -5.351 1.00 0.00 C ATOM 729 CD ARG A 48 1.855 -9.477 -4.485 1.00 0.00 C ATOM 730 NE ARG A 48 1.255 -10.614 -5.179 1.00 0.00 N ATOM 731 CZ ARG A 48 1.828 -11.809 -5.265 1.00 0.00 C ATOM 732 NH1 ARG A 48 3.011 -12.022 -4.704 1.00 0.00 N ATOM 733 NH2 ARG A 48 1.219 -12.793 -5.914 1.00 0.00 N ATOM 0 H ARG A 48 -0.183 -8.364 -6.109 1.00 0.00 H new ATOM 0 HA ARG A 48 1.494 -6.694 -4.613 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.694 -8.368 -7.092 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.970 -7.198 -6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.461 -9.485 -5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.570 -8.207 -4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.336 -9.823 -3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.072 -8.779 -4.189 1.00 0.00 H new ATOM 0 HE ARG A 48 0.346 -10.483 -5.622 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.482 -11.267 -4.205 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.449 -12.941 -4.771 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.310 -12.632 -6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.660 -13.710 -5.979 1.00 0.00 H new ATOM 747 N ARG A 49 0.587 -5.478 -7.551 1.00 0.00 N ATOM 748 CA ARG A 49 0.511 -4.253 -8.339 1.00 0.00 C ATOM 749 C ARG A 49 -0.276 -3.177 -7.597 1.00 0.00 C ATOM 750 O ARG A 49 0.042 -1.992 -7.684 1.00 0.00 O ATOM 751 CB ARG A 49 -0.140 -4.533 -9.695 1.00 0.00 C ATOM 752 CG ARG A 49 -1.575 -5.024 -9.591 1.00 0.00 C ATOM 753 CD ARG A 49 -2.297 -4.917 -10.925 1.00 0.00 C ATOM 754 NE ARG A 49 -1.875 -5.956 -11.861 1.00 0.00 N ATOM 755 CZ ARG A 49 -2.207 -7.236 -11.737 1.00 0.00 C ATOM 756 NH1 ARG A 49 -2.963 -7.633 -10.722 1.00 0.00 N ATOM 757 NH2 ARG A 49 -1.784 -8.122 -12.629 1.00 0.00 N ATOM 0 H ARG A 49 0.144 -6.287 -7.986 1.00 0.00 H new ATOM 0 HA ARG A 49 1.526 -3.890 -8.499 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.119 -3.622 -10.294 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.453 -5.278 -10.226 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.583 -6.060 -9.254 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.107 -4.440 -8.840 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.372 -4.991 -10.762 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.107 -3.937 -11.362 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.293 -5.684 -12.653 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.291 -6.955 -10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.217 -8.617 -10.629 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.203 -7.821 -13.411 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.040 -9.105 -12.533 1.00 0.00 H new ATOM 771 N GLU A 50 -1.304 -3.600 -6.868 1.00 0.00 N ATOM 772 CA GLU A 50 -2.137 -2.672 -6.112 1.00 0.00 C ATOM 773 C GLU A 50 -1.379 -2.115 -4.911 1.00 0.00 C ATOM 774 O GLU A 50 -1.409 -0.912 -4.648 1.00 0.00 O ATOM 775 CB GLU A 50 -3.418 -3.366 -5.644 1.00 0.00 C ATOM 776 CG GLU A 50 -4.509 -3.408 -6.701 1.00 0.00 C ATOM 777 CD GLU A 50 -5.344 -2.142 -6.728 1.00 0.00 C ATOM 778 OE1 GLU A 50 -4.777 -1.064 -7.004 1.00 0.00 O ATOM 779 OE2 GLU A 50 -6.563 -2.229 -6.472 1.00 0.00 O ATOM 0 H GLU A 50 -1.580 -4.578 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.401 -1.843 -6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.179 -4.385 -5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.798 -2.851 -4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.055 -3.561 -7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.158 -4.263 -6.514 1.00 0.00 H new ATOM 786 N ILE A 51 -0.702 -2.998 -4.185 1.00 0.00 N ATOM 787 CA ILE A 51 0.065 -2.595 -3.012 1.00 0.00 C ATOM 788 C ILE A 51 1.247 -1.716 -3.404 1.00 0.00 C ATOM 789 O ILE A 51 1.405 -0.607 -2.894 1.00 0.00 O ATOM 790 CB ILE A 51 0.584 -3.818 -2.232 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.586 -4.606 -1.640 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.542 -3.378 -1.136 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.203 -5.990 -1.165 1.00 0.00 C ATOM 0 H ILE A 51 -0.669 -3.997 -4.388 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.610 -2.027 -2.373 1.00 0.00 H new ATOM 0 HB ILE A 51 1.124 -4.468 -2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.004 -4.046 -0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.372 -4.693 -2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.900 -4.253 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.388 -2.855 -1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.025 -2.710 -0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.081 -6.491 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.188 -6.567 -2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.561 -5.911 -0.392 1.00 0.00 H new ATOM 805 N ASP A 52 2.075 -2.218 -4.313 1.00 0.00 N ATOM 806 CA ASP A 52 3.243 -1.478 -4.776 1.00 0.00 C ATOM 807 C ASP A 52 2.883 -0.025 -5.071 1.00 0.00 C ATOM 808 O ASP A 52 3.614 0.894 -4.700 1.00 0.00 O ATOM 809 CB ASP A 52 3.828 -2.135 -6.027 1.00 0.00 C ATOM 810 CG ASP A 52 5.249 -1.687 -6.306 1.00 0.00 C ATOM 811 OD1 ASP A 52 5.566 -0.512 -6.026 1.00 0.00 O ATOM 812 OD2 ASP A 52 6.044 -2.511 -6.805 1.00 0.00 O ATOM 0 H ASP A 52 1.959 -3.135 -4.744 1.00 0.00 H new ATOM 0 HA ASP A 52 3.991 -1.495 -3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.809 -3.218 -5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.200 -1.898 -6.886 1.00 0.00 H new ATOM 817 N SER A 53 1.753 0.175 -5.742 1.00 0.00 N ATOM 818 CA SER A 53 1.299 1.516 -6.091 1.00 0.00 C ATOM 819 C SER A 53 1.150 2.381 -4.844 1.00 0.00 C ATOM 820 O SER A 53 1.627 3.516 -4.802 1.00 0.00 O ATOM 821 CB SER A 53 -0.034 1.447 -6.839 1.00 0.00 C ATOM 822 OG SER A 53 0.139 0.914 -8.141 1.00 0.00 O ATOM 0 H SER A 53 1.135 -0.574 -6.055 1.00 0.00 H new ATOM 0 HA SER A 53 2.049 1.969 -6.739 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.737 0.829 -6.280 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.469 2.444 -6.906 1.00 0.00 H new ATOM 0 HG SER A 53 0.123 -0.065 -8.098 1.00 0.00 H new ATOM 828 N TRP A 54 0.486 1.838 -3.830 1.00 0.00 N ATOM 829 CA TRP A 54 0.274 2.560 -2.581 1.00 0.00 C ATOM 830 C TRP A 54 1.586 3.129 -2.052 1.00 0.00 C ATOM 831 O TRP A 54 1.629 4.252 -1.549 1.00 0.00 O ATOM 832 CB TRP A 54 -0.354 1.637 -1.535 1.00 0.00 C ATOM 833 CG TRP A 54 -0.515 2.283 -0.192 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.646 2.861 0.309 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.490 2.419 0.819 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.405 3.348 1.571 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.103 3.088 1.908 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.831 2.038 0.912 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.602 3.385 3.072 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.529 2.333 2.068 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.913 3.000 3.135 1.00 0.00 C ATOM 0 H TRP A 54 0.085 0.900 -3.848 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.406 3.388 -2.780 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.330 1.308 -1.891 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.264 0.746 -1.430 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.591 2.926 -0.210 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.086 3.826 2.162 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.314 1.522 0.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.130 3.901 3.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.567 2.045 2.150 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.485 3.215 4.026 1.00 0.00 H new ATOM 852 N PHE A 55 2.655 2.348 -2.168 1.00 0.00 N ATOM 853 CA PHE A 55 3.968 2.775 -1.700 1.00 0.00 C ATOM 854 C PHE A 55 4.529 3.881 -2.589 1.00 0.00 C ATOM 855 O PHE A 55 4.776 4.996 -2.130 1.00 0.00 O ATOM 856 CB PHE A 55 4.934 1.588 -1.672 1.00 0.00 C ATOM 857 CG PHE A 55 4.776 0.715 -0.461 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.275 1.115 0.768 1.00 0.00 C ATOM 859 CD2 PHE A 55 4.128 -0.507 -0.551 1.00 0.00 C ATOM 860 CE1 PHE A 55 5.131 0.314 1.886 1.00 0.00 C ATOM 861 CE2 PHE A 55 3.981 -1.312 0.563 1.00 0.00 C ATOM 862 CZ PHE A 55 4.484 -0.901 1.782 1.00 0.00 C ATOM 0 H PHE A 55 2.637 1.416 -2.582 1.00 0.00 H new ATOM 0 HA PHE A 55 3.856 3.167 -0.689 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.782 0.985 -2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.957 1.962 -1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.783 2.064 0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.734 -0.834 -1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.524 0.638 2.838 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.473 -2.262 0.480 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.371 -1.530 2.653 1.00 0.00 H new ATOM 872 N SER A 56 4.728 3.563 -3.864 1.00 0.00 N ATOM 873 CA SER A 56 5.264 4.527 -4.818 1.00 0.00 C ATOM 874 C SER A 56 4.469 5.829 -4.779 1.00 0.00 C ATOM 875 O SER A 56 4.944 6.872 -5.227 1.00 0.00 O ATOM 876 CB SER A 56 5.241 3.945 -6.232 1.00 0.00 C ATOM 877 OG SER A 56 6.288 3.008 -6.414 1.00 0.00 O ATOM 0 H SER A 56 4.526 2.645 -4.260 1.00 0.00 H new ATOM 0 HA SER A 56 6.295 4.742 -4.538 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.281 3.462 -6.415 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.337 4.749 -6.961 1.00 0.00 H new ATOM 0 HG SER A 56 6.251 2.649 -7.325 1.00 0.00 H new ATOM 883 N GLU A 57 3.256 5.758 -4.240 1.00 0.00 N ATOM 884 CA GLU A 57 2.394 6.931 -4.143 1.00 0.00 C ATOM 885 C GLU A 57 2.469 7.547 -2.749 1.00 0.00 C ATOM 886 O GLU A 57 2.439 8.768 -2.597 1.00 0.00 O ATOM 887 CB GLU A 57 0.947 6.556 -4.470 1.00 0.00 C ATOM 888 CG GLU A 57 0.630 6.592 -5.956 1.00 0.00 C ATOM 889 CD GLU A 57 0.270 7.982 -6.442 1.00 0.00 C ATOM 890 OE1 GLU A 57 -0.276 8.769 -5.641 1.00 0.00 O ATOM 891 OE2 GLU A 57 0.535 8.284 -7.625 1.00 0.00 O ATOM 0 H GLU A 57 2.848 4.902 -3.864 1.00 0.00 H new ATOM 0 HA GLU A 57 2.743 7.668 -4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.745 5.555 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.277 7.238 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.491 6.227 -6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.197 5.913 -6.164 1.00 0.00 H new ATOM 898 N ARG A 58 2.565 6.693 -1.735 1.00 0.00 N ATOM 899 CA ARG A 58 2.642 7.153 -0.354 1.00 0.00 C ATOM 900 C ARG A 58 4.033 7.695 -0.038 1.00 0.00 C ATOM 901 O ARG A 58 4.183 8.850 0.362 1.00 0.00 O ATOM 902 CB ARG A 58 2.297 6.012 0.605 1.00 0.00 C ATOM 903 CG ARG A 58 2.305 6.423 2.069 1.00 0.00 C ATOM 904 CD ARG A 58 1.119 7.314 2.403 1.00 0.00 C ATOM 905 NE ARG A 58 1.320 8.047 3.651 1.00 0.00 N ATOM 906 CZ ARG A 58 0.374 8.773 4.237 1.00 0.00 C ATOM 907 NH1 ARG A 58 -0.831 8.862 3.691 1.00 0.00 N ATOM 908 NH2 ARG A 58 0.633 9.411 5.371 1.00 0.00 N ATOM 0 H ARG A 58 2.591 5.679 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 58 1.919 7.959 -0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.312 5.621 0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.009 5.199 0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.282 5.533 2.698 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.232 6.949 2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.956 8.021 1.589 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.218 6.705 2.481 1.00 0.00 H new ATOM 0 HE ARG A 58 2.236 7.999 4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.033 8.373 2.819 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.556 9.420 4.143 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.559 9.344 5.794 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.094 9.968 5.820 1.00 0.00 H new ATOM 922 N ARG A 59 5.045 6.854 -0.220 1.00 0.00 N ATOM 923 CA ARG A 59 6.423 7.248 0.047 1.00 0.00 C ATOM 924 C ARG A 59 6.734 8.602 -0.585 1.00 0.00 C ATOM 925 O ARG A 59 7.572 9.355 -0.087 1.00 0.00 O ATOM 926 CB ARG A 59 7.392 6.191 -0.486 1.00 0.00 C ATOM 927 CG ARG A 59 7.612 6.268 -1.987 1.00 0.00 C ATOM 928 CD ARG A 59 8.565 5.185 -2.467 1.00 0.00 C ATOM 929 NE ARG A 59 9.184 5.527 -3.745 1.00 0.00 N ATOM 930 CZ ARG A 59 10.164 6.415 -3.872 1.00 0.00 C ATOM 931 NH1 ARG A 59 10.633 7.047 -2.805 1.00 0.00 N ATOM 932 NH2 ARG A 59 10.676 6.673 -5.069 1.00 0.00 N ATOM 0 H ARG A 59 4.937 5.895 -0.551 1.00 0.00 H new ATOM 0 HA ARG A 59 6.546 7.333 1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.351 6.302 0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.011 5.201 -0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.656 6.167 -2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.012 7.248 -2.247 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.342 5.028 -1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.024 4.244 -2.567 1.00 0.00 H new ATOM 0 HE ARG A 59 8.846 5.059 -4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.241 6.852 -1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.385 7.728 -2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.317 6.189 -5.892 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.428 7.355 -5.166 1.00 0.00 H new ATOM 946 N LYS A 60 6.054 8.905 -1.685 1.00 0.00 N ATOM 947 CA LYS A 60 6.255 10.168 -2.386 1.00 0.00 C ATOM 948 C LYS A 60 5.350 11.256 -1.818 1.00 0.00 C ATOM 949 O LYS A 60 5.656 12.445 -1.913 1.00 0.00 O ATOM 950 CB LYS A 60 5.983 9.993 -3.882 1.00 0.00 C ATOM 951 CG LYS A 60 4.508 9.865 -4.221 1.00 0.00 C ATOM 952 CD LYS A 60 4.205 10.412 -5.606 1.00 0.00 C ATOM 953 CE LYS A 60 2.943 9.793 -6.186 1.00 0.00 C ATOM 954 NZ LYS A 60 3.238 8.554 -6.959 1.00 0.00 N ATOM 0 H LYS A 60 5.358 8.293 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 60 7.292 10.472 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.398 10.845 -4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.507 9.106 -4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.211 8.817 -4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.915 10.401 -3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.089 11.495 -5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.047 10.213 -6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.248 9.561 -5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.448 10.516 -6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.357 8.181 -7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.908 8.773 -7.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.656 7.842 -6.327 1.00 0.00 H new ATOM 968 N LYS A 61 4.235 10.842 -1.226 1.00 0.00 N ATOM 969 CA LYS A 61 3.286 11.781 -0.639 1.00 0.00 C ATOM 970 C LYS A 61 3.834 12.371 0.656 1.00 0.00 C ATOM 971 O LYS A 61 3.714 13.571 0.903 1.00 0.00 O ATOM 972 CB LYS A 61 1.950 11.085 -0.369 1.00 0.00 C ATOM 973 CG LYS A 61 1.015 11.079 -1.567 1.00 0.00 C ATOM 974 CD LYS A 61 -0.112 10.075 -1.389 1.00 0.00 C ATOM 975 CE LYS A 61 -0.947 9.945 -2.653 1.00 0.00 C ATOM 976 NZ LYS A 61 -1.763 11.165 -2.907 1.00 0.00 N ATOM 0 H LYS A 61 3.966 9.862 -1.140 1.00 0.00 H new ATOM 0 HA LYS A 61 3.130 12.593 -1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.141 10.057 -0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.454 11.580 0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.597 12.076 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.579 10.839 -2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.304 9.103 -1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.749 10.385 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.291 9.763 -3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.604 9.080 -2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.318 11.037 -3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.407 11.325 -2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.135 11.987 -3.015 1.00 0.00 H new ATOM 990 N VAL A 62 4.438 11.520 1.480 1.00 0.00 N ATOM 991 CA VAL A 62 5.007 11.958 2.749 1.00 0.00 C ATOM 992 C VAL A 62 6.039 13.060 2.537 1.00 0.00 C ATOM 993 O VAL A 62 6.151 13.982 3.343 1.00 0.00 O ATOM 994 CB VAL A 62 5.669 10.788 3.501 1.00 0.00 C ATOM 995 CG1 VAL A 62 6.368 11.287 4.756 1.00 0.00 C ATOM 996 CG2 VAL A 62 4.638 9.723 3.842 1.00 0.00 C ATOM 0 H VAL A 62 4.546 10.523 1.291 1.00 0.00 H new ATOM 0 HA VAL A 62 4.183 12.346 3.348 1.00 0.00 H new ATOM 0 HB VAL A 62 6.420 10.339 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.830 10.446 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.136 12.010 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.640 11.763 5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.123 8.904 4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.863 10.156 4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.189 9.345 2.924 1.00 0.00 H new ATOM 1006 N ASN A 63 6.791 12.958 1.446 1.00 0.00 N ATOM 1007 CA ASN A 63 7.814 13.946 1.127 1.00 0.00 C ATOM 1008 C ASN A 63 7.198 15.172 0.460 1.00 0.00 C ATOM 1009 O ASN A 63 7.667 16.294 0.646 1.00 0.00 O ATOM 1010 CB ASN A 63 8.877 13.334 0.213 1.00 0.00 C ATOM 1011 CG ASN A 63 10.013 12.698 0.991 1.00 0.00 C ATOM 1012 OD1 ASN A 63 9.926 11.542 1.404 1.00 0.00 O ATOM 1013 ND2 ASN A 63 11.086 13.453 1.194 1.00 0.00 N ATOM 0 H ASN A 63 6.711 12.200 0.768 1.00 0.00 H new ATOM 0 HA ASN A 63 8.283 14.260 2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.413 12.583 -0.427 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.278 14.107 -0.442 1.00 0.00 H new ATOM 0 HD21 ASN A 63 11.882 13.079 1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.114 14.407 0.833 1.00 0.00 H new ATOM 1020 N ALA A 64 6.143 14.948 -0.317 1.00 0.00 N ATOM 1021 CA ALA A 64 5.461 16.034 -1.010 1.00 0.00 C ATOM 1022 C ALA A 64 4.365 16.638 -0.139 1.00 0.00 C ATOM 1023 O ALA A 64 3.286 16.973 -0.627 1.00 0.00 O ATOM 1024 CB ALA A 64 4.879 15.537 -2.325 1.00 0.00 C ATOM 0 H ALA A 64 5.742 14.025 -0.482 1.00 0.00 H new ATOM 0 HA ALA A 64 6.193 16.814 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.372 16.358 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.682 15.159 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.165 14.737 -2.128 1.00 0.00 H new ATOM 1030 N GLU A 65 4.649 16.772 1.153 1.00 0.00 N ATOM 1031 CA GLU A 65 3.685 17.334 2.092 1.00 0.00 C ATOM 1032 C GLU A 65 4.262 18.558 2.797 1.00 0.00 C ATOM 1033 O GLU A 65 5.465 18.813 2.734 1.00 0.00 O ATOM 1034 CB GLU A 65 3.273 16.284 3.125 1.00 0.00 C ATOM 1035 CG GLU A 65 2.086 15.439 2.695 1.00 0.00 C ATOM 1036 CD GLU A 65 0.774 16.195 2.768 1.00 0.00 C ATOM 1037 OE1 GLU A 65 0.495 16.799 3.825 1.00 0.00 O ATOM 1038 OE2 GLU A 65 0.027 16.183 1.767 1.00 0.00 O ATOM 0 H GLU A 65 5.538 16.499 1.573 1.00 0.00 H new ATOM 0 HA GLU A 65 2.805 17.642 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.122 15.629 3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.031 16.785 4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.244 15.091 1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.027 14.554 3.328 1.00 0.00 H new ATOM 1045 N GLU A 66 3.396 19.312 3.467 1.00 0.00 N ATOM 1046 CA GLU A 66 3.820 20.509 4.182 1.00 0.00 C ATOM 1047 C GLU A 66 4.566 21.463 3.253 1.00 0.00 C ATOM 1048 O GLU A 66 5.532 22.113 3.656 1.00 0.00 O ATOM 1049 CB GLU A 66 4.711 20.134 5.368 1.00 0.00 C ATOM 1050 CG GLU A 66 4.042 19.197 6.360 1.00 0.00 C ATOM 1051 CD GLU A 66 2.896 19.856 7.102 1.00 0.00 C ATOM 1052 OE1 GLU A 66 3.165 20.721 7.961 1.00 0.00 O ATOM 1053 OE2 GLU A 66 1.730 19.507 6.824 1.00 0.00 O ATOM 0 H GLU A 66 2.397 19.115 3.529 1.00 0.00 H new ATOM 0 HA GLU A 66 2.928 21.014 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.621 19.664 4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.013 21.044 5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.671 18.319 5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.782 18.847 7.079 1.00 0.00 H new ATOM 1060 N THR A 67 4.112 21.540 2.006 1.00 0.00 N ATOM 1061 CA THR A 67 4.736 22.412 1.018 1.00 0.00 C ATOM 1062 C THR A 67 3.791 23.531 0.597 1.00 0.00 C ATOM 1063 O THR A 67 2.588 23.319 0.450 1.00 0.00 O ATOM 1064 CB THR A 67 5.169 21.624 -0.232 1.00 0.00 C ATOM 1065 OG1 THR A 67 5.790 22.504 -1.176 1.00 0.00 O ATOM 1066 CG2 THR A 67 3.976 20.938 -0.880 1.00 0.00 C ATOM 0 H THR A 67 3.314 21.009 1.656 1.00 0.00 H new ATOM 0 HA THR A 67 5.618 22.844 1.490 1.00 0.00 H new ATOM 0 HB THR A 67 5.883 20.861 0.077 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.064 21.995 -1.967 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.307 20.388 -1.761 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.523 20.247 -0.169 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.241 21.687 -1.175 1.00 0.00 H new ATOM 1074 N LYS A 68 4.344 24.724 0.405 1.00 0.00 N ATOM 1075 CA LYS A 68 3.551 25.878 -0.001 1.00 0.00 C ATOM 1076 C LYS A 68 2.995 25.688 -1.409 1.00 0.00 C ATOM 1077 O LYS A 68 3.643 25.092 -2.269 1.00 0.00 O ATOM 1078 CB LYS A 68 4.399 27.151 0.056 1.00 0.00 C ATOM 1079 CG LYS A 68 4.584 27.696 1.461 1.00 0.00 C ATOM 1080 CD LYS A 68 5.500 28.908 1.473 1.00 0.00 C ATOM 1081 CE LYS A 68 5.543 29.561 2.846 1.00 0.00 C ATOM 1082 NZ LYS A 68 6.563 28.930 3.729 1.00 0.00 N ATOM 0 H LYS A 68 5.339 24.917 0.524 1.00 0.00 H new ATOM 0 HA LYS A 68 2.715 25.974 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.378 26.945 -0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.932 27.917 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.614 27.968 1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.999 26.918 2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.506 28.608 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.156 29.633 0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.764 30.623 2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.562 29.487 3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.561 29.403 4.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.338 27.922 3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.503 29.023 3.295 1.00 0.00 H new ATOM 1096 N LYS A 69 1.790 26.200 -1.638 1.00 0.00 N ATOM 1097 CA LYS A 69 1.147 26.090 -2.942 1.00 0.00 C ATOM 1098 C LYS A 69 0.877 27.470 -3.534 1.00 0.00 C ATOM 1099 O LYS A 69 0.090 28.245 -2.992 1.00 0.00 O ATOM 1100 CB LYS A 69 -0.164 25.309 -2.823 1.00 0.00 C ATOM 1101 CG LYS A 69 -1.191 25.978 -1.926 1.00 0.00 C ATOM 1102 CD LYS A 69 -2.204 24.978 -1.396 1.00 0.00 C ATOM 1103 CE LYS A 69 -1.677 24.246 -0.171 1.00 0.00 C ATOM 1104 NZ LYS A 69 -2.646 23.232 0.329 1.00 0.00 N ATOM 0 H LYS A 69 1.239 26.695 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 69 1.823 25.554 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.592 25.180 -3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.050 24.313 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.685 26.462 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.707 26.760 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.129 25.496 -1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.447 24.256 -2.176 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.735 23.757 -0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.465 24.966 0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.250 22.755 1.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.537 23.702 0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.829 22.530 -0.416 1.00 0.00 H new ATOM 1118 N SER A 70 1.533 27.768 -4.651 1.00 0.00 N ATOM 1119 CA SER A 70 1.365 29.055 -5.315 1.00 0.00 C ATOM 1120 C SER A 70 -0.068 29.557 -5.173 1.00 0.00 C ATOM 1121 O SER A 70 -1.008 28.936 -5.667 1.00 0.00 O ATOM 1122 CB SER A 70 1.733 28.941 -6.796 1.00 0.00 C ATOM 1123 OG SER A 70 2.102 30.201 -7.329 1.00 0.00 O ATOM 0 H SER A 70 2.185 27.136 -5.115 1.00 0.00 H new ATOM 0 HA SER A 70 2.032 29.772 -4.836 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.556 28.237 -6.916 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.887 28.540 -7.354 1.00 0.00 H new ATOM 0 HG SER A 70 2.334 30.100 -8.276 1.00 0.00 H new ATOM 1129 N GLY A 71 -0.228 30.688 -4.492 1.00 0.00 N ATOM 1130 CA GLY A 71 -1.549 31.256 -4.295 1.00 0.00 C ATOM 1131 C GLY A 71 -1.525 32.491 -3.418 1.00 0.00 C ATOM 1132 O GLY A 71 -1.763 32.427 -2.212 1.00 0.00 O ATOM 0 H GLY A 71 0.534 31.221 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.980 31.510 -5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.200 30.507 -3.844 1.00 0.00 H new ATOM 1136 N PRO A 72 -1.229 33.649 -4.027 1.00 0.00 N ATOM 1137 CA PRO A 72 -1.166 34.927 -3.312 1.00 0.00 C ATOM 1138 C PRO A 72 -2.541 35.405 -2.856 1.00 0.00 C ATOM 1139 O PRO A 72 -3.273 36.037 -3.618 1.00 0.00 O ATOM 1140 CB PRO A 72 -0.584 35.888 -4.352 1.00 0.00 C ATOM 1141 CG PRO A 72 -0.950 35.290 -5.666 1.00 0.00 C ATOM 1142 CD PRO A 72 -0.934 33.800 -5.462 1.00 0.00 C ATOM 0 HA PRO A 72 -0.573 34.854 -2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.001 36.889 -4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.497 35.979 -4.246 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.934 35.629 -5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.242 35.586 -6.440 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.681 33.302 -6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.033 33.369 -5.721 1.00 0.00 H new ATOM 1150 N SER A 73 -2.885 35.099 -1.609 1.00 0.00 N ATOM 1151 CA SER A 73 -4.174 35.494 -1.053 1.00 0.00 C ATOM 1152 C SER A 73 -4.474 36.957 -1.365 1.00 0.00 C ATOM 1153 O SER A 73 -3.626 37.678 -1.890 1.00 0.00 O ATOM 1154 CB SER A 73 -4.191 35.269 0.460 1.00 0.00 C ATOM 1155 OG SER A 73 -3.383 36.223 1.126 1.00 0.00 O ATOM 0 H SER A 73 -2.289 34.579 -0.965 1.00 0.00 H new ATOM 0 HA SER A 73 -4.946 34.877 -1.513 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.215 35.334 0.829 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.834 34.264 0.686 1.00 0.00 H new ATOM 0 HG SER A 73 -3.412 36.059 2.092 1.00 0.00 H new ATOM 1161 N SER A 74 -5.688 37.389 -1.036 1.00 0.00 N ATOM 1162 CA SER A 74 -6.103 38.765 -1.284 1.00 0.00 C ATOM 1163 C SER A 74 -6.114 39.570 0.012 1.00 0.00 C ATOM 1164 O SER A 74 -5.742 40.743 0.030 1.00 0.00 O ATOM 1165 CB SER A 74 -7.490 38.793 -1.927 1.00 0.00 C ATOM 1166 OG SER A 74 -8.485 38.364 -1.014 1.00 0.00 O ATOM 0 H SER A 74 -6.401 36.806 -0.597 1.00 0.00 H new ATOM 0 HA SER A 74 -5.385 39.218 -1.967 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.716 39.804 -2.267 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.499 38.151 -2.808 1.00 0.00 H new ATOM 0 HG SER A 74 -9.363 38.393 -1.449 1.00 0.00 H new ATOM 1172 N GLY A 75 -6.544 38.931 1.095 1.00 0.00 N ATOM 1173 CA GLY A 75 -6.597 39.602 2.381 1.00 0.00 C ATOM 1174 C GLY A 75 -7.156 41.007 2.279 1.00 0.00 C ATOM 1175 O GLY A 75 -7.422 41.651 3.294 1.00 0.00 O ATOM 0 H GLY A 75 -6.857 37.960 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.212 39.019 3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.595 39.643 2.808 1.00 0.00 H new TER 1179 GLY A 75