USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 600 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 8 ASN : amide:sc= 0.0257 K(o=-0.7,f=-5.5!) USER MOD Set 1.2: A 19 GLN :FLIP amide:sc= -1.41 F(o=-1.9!,f=-0.7) USER MOD Set 1.3: A 25 TYR OH : rot 15:sc= 0.683 USER MOD Single : A 4 LYS NZ :NH3+ -150:sc= -0.0365 (180deg=-0.581) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0841 USER MOD Single : A 18 SER OG : rot 180:sc= -0.16 USER MOD Single : A 21 LYS NZ :NH3+ -118:sc= 0.166 (180deg=-0.371) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -0.293 (180deg=-1.28!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -40:sc= 0.206 USER MOD Single : A 37 GLN :FLIP amide:sc= -13.1! C(o=-17!,f=-13!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 151:sc= 0.275 USER MOD Single : A 43 LYS NZ :NH3+ -130:sc= 1.27 (180deg=-0.454) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 151:sc= -2.85! (180deg=-4.02!) USER MOD Single : A 57 CYS SG : rot -10:sc= 0.014 USER MOD Single : A 59 SER OG : rot 23:sc= -2.16 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc=-0.00504 X(o=-0.005,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -162:sc= -0.195 (180deg=-0.961) USER MOD Single : A 72 HIS : no HD1:sc= -2.24 X(o=-2.2,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -8.275 11.091 10.877 1.00 0.00 N ATOM 2 CA GLU A 3 -7.932 9.646 10.751 1.00 0.00 C ATOM 3 C GLU A 3 -9.216 8.816 10.724 1.00 0.00 C ATOM 4 O GLU A 3 -9.193 7.626 10.484 1.00 0.00 O ATOM 5 CB GLU A 3 -7.072 9.220 11.945 1.00 0.00 C ATOM 6 CG GLU A 3 -5.733 9.962 11.902 1.00 0.00 C ATOM 7 CD GLU A 3 -4.940 9.664 13.176 1.00 0.00 C ATOM 8 OE1 GLU A 3 -4.964 8.524 13.611 1.00 0.00 O ATOM 9 OE2 GLU A 3 -4.325 10.580 13.695 1.00 0.00 O ATOM 0 HA GLU A 3 -7.377 9.484 9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.592 9.440 12.878 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.904 8.143 11.920 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.163 9.653 11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.903 11.035 11.810 1.00 0.00 H new ATOM 16 N LYS A 4 -10.343 9.436 10.964 1.00 0.00 N ATOM 17 CA LYS A 4 -11.634 8.681 10.949 1.00 0.00 C ATOM 18 C LYS A 4 -12.163 8.627 9.504 1.00 0.00 C ATOM 19 O LYS A 4 -13.334 8.824 9.241 1.00 0.00 O ATOM 20 CB LYS A 4 -12.647 9.390 11.888 1.00 0.00 C ATOM 21 CG LYS A 4 -12.754 8.638 13.230 1.00 0.00 C ATOM 22 CD LYS A 4 -11.420 8.737 14.018 1.00 0.00 C ATOM 23 CE LYS A 4 -11.036 7.366 14.594 1.00 0.00 C ATOM 24 NZ LYS A 4 -12.186 6.804 15.357 1.00 0.00 N ATOM 0 H LYS A 4 -10.426 10.432 11.170 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.488 7.661 11.305 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.331 10.418 12.064 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.626 9.435 11.410 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.566 9.057 13.824 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.999 7.592 13.048 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.628 9.097 13.361 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.520 9.463 14.825 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.755 6.688 13.788 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.168 7.464 15.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.831 6.200 16.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.749 7.581 15.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.782 6.239 14.720 1.00 0.00 H new ATOM 38 N ARG A 5 -11.300 8.349 8.563 1.00 0.00 N ATOM 39 CA ARG A 5 -11.739 8.269 7.139 1.00 0.00 C ATOM 40 C ARG A 5 -12.267 6.860 6.850 1.00 0.00 C ATOM 41 O ARG A 5 -11.915 5.908 7.516 1.00 0.00 O ATOM 42 CB ARG A 5 -10.549 8.562 6.223 1.00 0.00 C ATOM 43 CG ARG A 5 -10.158 10.036 6.345 1.00 0.00 C ATOM 44 CD ARG A 5 -8.843 10.276 5.601 1.00 0.00 C ATOM 45 NE ARG A 5 -8.360 11.656 5.879 1.00 0.00 N ATOM 46 CZ ARG A 5 -7.129 11.984 5.599 1.00 0.00 C ATOM 47 NH1 ARG A 5 -6.326 11.106 5.062 1.00 0.00 N ATOM 48 NH2 ARG A 5 -6.703 13.190 5.853 1.00 0.00 N ATOM 0 H ARG A 5 -10.308 8.173 8.720 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.527 9.000 6.958 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.705 7.928 6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.806 8.328 5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.944 10.668 5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.050 10.309 7.395 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -8.096 9.547 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -8.989 10.139 4.529 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.991 12.345 6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -6.661 10.164 4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.363 11.362 4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.332 13.876 6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.741 13.447 5.634 1.00 0.00 H new ATOM 62 N ARG A 6 -13.114 6.722 5.859 1.00 0.00 N ATOM 63 CA ARG A 6 -13.676 5.375 5.517 1.00 0.00 C ATOM 64 C ARG A 6 -13.698 5.207 3.999 1.00 0.00 C ATOM 65 O ARG A 6 -13.620 6.175 3.269 1.00 0.00 O ATOM 66 CB ARG A 6 -15.092 5.267 6.070 1.00 0.00 C ATOM 67 CG ARG A 6 -15.040 5.318 7.599 1.00 0.00 C ATOM 68 CD ARG A 6 -16.384 4.879 8.179 1.00 0.00 C ATOM 69 NE ARG A 6 -16.510 5.378 9.577 1.00 0.00 N ATOM 70 CZ ARG A 6 -17.685 5.436 10.141 1.00 0.00 C ATOM 71 NH1 ARG A 6 -18.743 5.053 9.480 1.00 0.00 N ATOM 72 NH2 ARG A 6 -17.803 5.880 11.363 1.00 0.00 N ATOM 0 H ARG A 6 -13.442 7.487 5.269 1.00 0.00 H new ATOM 0 HA ARG A 6 -13.056 4.593 5.956 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.708 6.081 5.688 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.554 4.336 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.246 4.668 7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.804 6.329 7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -17.199 5.267 7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.462 3.792 8.161 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.680 5.673 10.092 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -18.650 4.709 8.524 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -19.663 5.098 9.919 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.976 6.182 11.878 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.722 5.925 11.803 1.00 0.00 H new ATOM 86 N ASP A 7 -13.780 3.986 3.512 1.00 0.00 N ATOM 87 CA ASP A 7 -13.774 3.769 2.026 1.00 0.00 C ATOM 88 C ASP A 7 -14.810 2.715 1.582 1.00 0.00 C ATOM 89 O ASP A 7 -15.987 2.995 1.462 1.00 0.00 O ATOM 90 CB ASP A 7 -12.371 3.307 1.604 1.00 0.00 C ATOM 91 CG ASP A 7 -11.415 4.503 1.555 1.00 0.00 C ATOM 92 OD1 ASP A 7 -11.848 5.600 1.861 1.00 0.00 O ATOM 93 OD2 ASP A 7 -10.263 4.299 1.208 1.00 0.00 O ATOM 0 H ASP A 7 -13.850 3.138 4.075 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.041 4.711 1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.998 2.562 2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -12.416 2.828 0.626 1.00 0.00 H new ATOM 98 N ASN A 8 -14.356 1.526 1.269 1.00 0.00 N ATOM 99 CA ASN A 8 -15.270 0.461 0.746 1.00 0.00 C ATOM 100 C ASN A 8 -16.303 -0.026 1.774 1.00 0.00 C ATOM 101 O ASN A 8 -17.461 0.335 1.719 1.00 0.00 O ATOM 102 CB ASN A 8 -14.423 -0.735 0.290 1.00 0.00 C ATOM 103 CG ASN A 8 -13.687 -0.386 -1.006 1.00 0.00 C ATOM 104 OD1 ASN A 8 -14.300 0.015 -1.975 1.00 0.00 O ATOM 105 ND2 ASN A 8 -12.391 -0.525 -1.066 1.00 0.00 N ATOM 0 H ASN A 8 -13.379 1.244 1.354 1.00 0.00 H new ATOM 0 HA ASN A 8 -15.830 0.901 -0.079 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -13.705 -1.001 1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.061 -1.605 0.134 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.893 -0.297 -1.926 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.876 -0.862 -0.252 1.00 0.00 H new ATOM 112 N ARG A 9 -15.911 -0.906 2.660 1.00 0.00 N ATOM 113 CA ARG A 9 -16.884 -1.493 3.635 1.00 0.00 C ATOM 114 C ARG A 9 -16.890 -0.742 4.962 1.00 0.00 C ATOM 115 O ARG A 9 -17.205 -1.302 5.995 1.00 0.00 O ATOM 116 CB ARG A 9 -16.490 -2.947 3.879 1.00 0.00 C ATOM 117 CG ARG A 9 -16.576 -3.710 2.557 1.00 0.00 C ATOM 118 CD ARG A 9 -16.149 -5.163 2.766 1.00 0.00 C ATOM 119 NE ARG A 9 -16.281 -5.909 1.483 1.00 0.00 N ATOM 120 CZ ARG A 9 -15.654 -7.041 1.318 1.00 0.00 C ATOM 121 NH1 ARG A 9 -14.881 -7.505 2.261 1.00 0.00 N ATOM 122 NH2 ARG A 9 -15.793 -7.707 0.204 1.00 0.00 N ATOM 0 H ARG A 9 -14.954 -1.246 2.752 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.887 -1.417 3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.478 -3.001 4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.151 -3.398 4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.595 -3.673 2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.936 -3.237 1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.118 -5.203 3.118 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.767 -5.628 3.534 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.862 -5.534 0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.766 -6.982 3.129 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.392 -8.390 2.130 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.392 -7.342 -0.537 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.303 -8.592 0.074 1.00 0.00 H new ATOM 136 N GLY A 10 -16.566 0.514 4.959 1.00 0.00 N ATOM 137 CA GLY A 10 -16.579 1.272 6.240 1.00 0.00 C ATOM 138 C GLY A 10 -15.314 0.949 7.033 1.00 0.00 C ATOM 139 O GLY A 10 -15.301 0.987 8.247 1.00 0.00 O ATOM 0 H GLY A 10 -16.294 1.049 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.634 2.342 6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.463 1.010 6.821 1.00 0.00 H new ATOM 143 N ARG A 11 -14.246 0.637 6.351 1.00 0.00 N ATOM 144 CA ARG A 11 -12.977 0.314 7.059 1.00 0.00 C ATOM 145 C ARG A 11 -12.288 1.618 7.441 1.00 0.00 C ATOM 146 O ARG A 11 -12.295 2.564 6.689 1.00 0.00 O ATOM 147 CB ARG A 11 -12.053 -0.465 6.119 1.00 0.00 C ATOM 148 CG ARG A 11 -12.691 -1.817 5.729 1.00 0.00 C ATOM 149 CD ARG A 11 -12.291 -2.198 4.291 1.00 0.00 C ATOM 150 NE ARG A 11 -12.327 -3.675 4.131 1.00 0.00 N ATOM 151 CZ ARG A 11 -12.397 -4.201 2.941 1.00 0.00 C ATOM 152 NH1 ARG A 11 -12.455 -3.430 1.889 1.00 0.00 N ATOM 153 NH2 ARG A 11 -12.415 -5.499 2.806 1.00 0.00 N ATOM 0 H ARG A 11 -14.198 0.592 5.333 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.192 -0.282 7.946 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.857 0.123 5.222 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.092 -0.636 6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.368 -2.594 6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.776 -1.752 5.807 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.970 -1.730 3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.291 -1.824 4.071 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.297 -4.278 4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.445 -2.416 1.999 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.510 -3.842 0.957 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.374 -6.098 3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.470 -5.914 1.876 1.00 0.00 H new ATOM 167 N ILE A 12 -11.695 1.684 8.597 1.00 0.00 N ATOM 168 CA ILE A 12 -11.009 2.942 9.008 1.00 0.00 C ATOM 169 C ILE A 12 -9.578 2.948 8.469 1.00 0.00 C ATOM 170 O ILE A 12 -8.681 2.374 9.055 1.00 0.00 O ATOM 171 CB ILE A 12 -10.974 3.025 10.542 1.00 0.00 C ATOM 172 CG1 ILE A 12 -12.411 3.134 11.100 1.00 0.00 C ATOM 173 CG2 ILE A 12 -10.138 4.233 10.978 1.00 0.00 C ATOM 174 CD1 ILE A 12 -12.913 4.589 11.071 1.00 0.00 C ATOM 0 H ILE A 12 -11.654 0.924 9.276 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.551 3.797 8.605 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.516 2.119 10.939 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.080 2.504 10.513 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.436 2.759 12.123 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.117 4.287 12.066 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.121 4.127 10.600 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.581 5.145 10.578 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.926 4.632 11.470 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -12.257 5.212 11.679 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.911 4.954 10.044 1.00 0.00 H new ATOM 186 N LEU A 13 -9.349 3.614 7.365 1.00 0.00 N ATOM 187 CA LEU A 13 -7.966 3.676 6.806 1.00 0.00 C ATOM 188 C LEU A 13 -7.275 4.916 7.373 1.00 0.00 C ATOM 189 O LEU A 13 -7.915 5.890 7.716 1.00 0.00 O ATOM 190 CB LEU A 13 -8.007 3.755 5.273 1.00 0.00 C ATOM 191 CG LEU A 13 -9.037 4.811 4.801 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.537 5.497 3.524 1.00 0.00 C ATOM 193 CD2 LEU A 13 -10.379 4.136 4.497 1.00 0.00 C ATOM 0 H LEU A 13 -10.058 4.115 6.829 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.417 2.776 7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.018 4.010 4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.266 2.779 4.861 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.163 5.548 5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.267 6.238 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.585 5.989 3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.402 4.752 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.097 4.886 4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.243 3.393 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.753 3.648 5.397 1.00 0.00 H new ATOM 205 N LYS A 14 -5.977 4.886 7.500 1.00 0.00 N ATOM 206 CA LYS A 14 -5.255 6.059 8.077 1.00 0.00 C ATOM 207 C LYS A 14 -4.860 7.049 6.983 1.00 0.00 C ATOM 208 O LYS A 14 -5.146 6.869 5.815 1.00 0.00 O ATOM 209 CB LYS A 14 -3.996 5.581 8.794 1.00 0.00 C ATOM 210 CG LYS A 14 -4.371 4.472 9.787 1.00 0.00 C ATOM 211 CD LYS A 14 -3.105 3.869 10.415 1.00 0.00 C ATOM 212 CE LYS A 14 -2.515 2.800 9.488 1.00 0.00 C ATOM 213 NZ LYS A 14 -1.357 2.148 10.158 1.00 0.00 N ATOM 0 H LYS A 14 -5.384 4.101 7.230 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.922 6.559 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.271 5.208 8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.525 6.412 9.319 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.016 4.876 10.568 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.938 3.694 9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.369 4.653 10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.344 3.430 11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.274 2.056 9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.198 3.253 8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.956 1.423 9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.631 2.862 10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.673 1.703 11.043 1.00 0.00 H new ATOM 227 N THR A 15 -4.202 8.100 7.380 1.00 0.00 N ATOM 228 CA THR A 15 -3.755 9.148 6.412 1.00 0.00 C ATOM 229 C THR A 15 -2.905 8.531 5.296 1.00 0.00 C ATOM 230 O THR A 15 -2.294 7.495 5.465 1.00 0.00 O ATOM 231 CB THR A 15 -2.923 10.202 7.152 1.00 0.00 C ATOM 232 OG1 THR A 15 -2.321 11.073 6.205 1.00 0.00 O ATOM 233 CG2 THR A 15 -1.836 9.511 7.980 1.00 0.00 C ATOM 0 H THR A 15 -3.949 8.284 8.351 1.00 0.00 H new ATOM 0 HA THR A 15 -4.638 9.608 5.968 1.00 0.00 H new ATOM 0 HB THR A 15 -3.569 10.776 7.817 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.790 11.749 6.674 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.246 10.262 8.505 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.301 8.843 8.705 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.187 8.936 7.320 1.00 0.00 H new ATOM 241 N GLY A 16 -2.842 9.184 4.165 1.00 0.00 N ATOM 242 CA GLY A 16 -2.010 8.673 3.035 1.00 0.00 C ATOM 243 C GLY A 16 -2.800 7.684 2.172 1.00 0.00 C ATOM 244 O GLY A 16 -2.647 7.647 0.967 1.00 0.00 O ATOM 0 H GLY A 16 -3.335 10.056 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.673 9.508 2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.118 8.186 3.428 1.00 0.00 H new ATOM 248 N GLU A 17 -3.635 6.877 2.766 1.00 0.00 N ATOM 249 CA GLU A 17 -4.415 5.894 1.961 1.00 0.00 C ATOM 250 C GLU A 17 -5.612 6.584 1.300 1.00 0.00 C ATOM 251 O GLU A 17 -6.041 7.641 1.717 1.00 0.00 O ATOM 252 CB GLU A 17 -4.906 4.770 2.875 1.00 0.00 C ATOM 253 CG GLU A 17 -3.733 3.854 3.239 1.00 0.00 C ATOM 254 CD GLU A 17 -4.246 2.683 4.077 1.00 0.00 C ATOM 255 OE1 GLU A 17 -5.447 2.478 4.092 1.00 0.00 O ATOM 256 OE2 GLU A 17 -3.430 2.014 4.690 1.00 0.00 O ATOM 0 H GLU A 17 -3.811 6.855 3.770 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.775 5.480 1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.347 5.189 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.687 4.197 2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.251 3.484 2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.980 4.412 3.796 1.00 0.00 H new ATOM 263 N SER A 18 -6.152 5.995 0.265 1.00 0.00 N ATOM 264 CA SER A 18 -7.316 6.621 -0.426 1.00 0.00 C ATOM 265 C SER A 18 -8.061 5.566 -1.253 1.00 0.00 C ATOM 266 O SER A 18 -7.565 4.481 -1.483 1.00 0.00 O ATOM 267 CB SER A 18 -6.816 7.734 -1.346 1.00 0.00 C ATOM 268 OG SER A 18 -7.917 8.277 -2.064 1.00 0.00 O ATOM 0 H SER A 18 -5.837 5.109 -0.130 1.00 0.00 H new ATOM 0 HA SER A 18 -7.997 7.036 0.317 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.328 8.514 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.072 7.342 -2.039 1.00 0.00 H new ATOM 0 HG SER A 18 -7.602 8.993 -2.654 1.00 0.00 H new ATOM 274 N GLN A 19 -9.255 5.880 -1.699 1.00 0.00 N ATOM 275 CA GLN A 19 -10.049 4.901 -2.512 1.00 0.00 C ATOM 276 C GLN A 19 -10.023 5.296 -3.988 1.00 0.00 C ATOM 277 O GLN A 19 -9.957 6.459 -4.339 1.00 0.00 O ATOM 278 CB GLN A 19 -11.496 4.890 -2.026 1.00 0.00 C ATOM 279 CG GLN A 19 -12.316 3.924 -2.880 1.00 0.00 C ATOM 280 CD GLN A 19 -13.659 3.657 -2.198 1.00 0.00 C ATOM 281 OE1 GLN A 19 -14.044 2.424 -1.999 1.00 0.00 O flip ATOM 282 NE2 GLN A 19 -14.365 4.579 -1.840 1.00 0.00 N flip ATOM 0 H GLN A 19 -9.716 6.775 -1.535 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.609 3.910 -2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.536 4.590 -0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.918 5.893 -2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.477 4.345 -3.872 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.772 2.989 -3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.065 5.541 -1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.258 4.391 -1.384 1.00 0.00 H new ATOM 291 N ARG A 20 -10.070 4.322 -4.851 1.00 0.00 N ATOM 292 CA ARG A 20 -10.045 4.591 -6.315 1.00 0.00 C ATOM 293 C ARG A 20 -11.465 4.747 -6.855 1.00 0.00 C ATOM 294 O ARG A 20 -12.438 4.443 -6.192 1.00 0.00 O ATOM 295 CB ARG A 20 -9.357 3.415 -7.004 1.00 0.00 C ATOM 296 CG ARG A 20 -7.830 3.487 -6.751 1.00 0.00 C ATOM 297 CD ARG A 20 -7.132 4.184 -7.925 1.00 0.00 C ATOM 298 NE ARG A 20 -6.804 3.176 -8.971 1.00 0.00 N ATOM 299 CZ ARG A 20 -6.472 3.564 -10.170 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.413 4.837 -10.454 1.00 0.00 N ATOM 301 NH2 ARG A 20 -6.198 2.681 -11.088 1.00 0.00 N ATOM 0 H ARG A 20 -10.126 3.335 -4.600 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.504 5.517 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.755 2.474 -6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.560 3.438 -8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.632 4.030 -5.827 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.427 2.482 -6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.778 4.958 -8.339 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.223 4.678 -7.581 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.839 2.181 -8.749 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.627 5.530 -9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.153 5.139 -11.393 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.243 1.686 -10.868 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.938 2.985 -12.026 1.00 0.00 H new ATOM 315 N LYS A 21 -11.587 5.209 -8.066 1.00 0.00 N ATOM 316 CA LYS A 21 -12.932 5.380 -8.670 1.00 0.00 C ATOM 317 C LYS A 21 -13.568 4.008 -8.904 1.00 0.00 C ATOM 318 O LYS A 21 -14.775 3.870 -8.921 1.00 0.00 O ATOM 319 CB LYS A 21 -12.792 6.121 -10.009 1.00 0.00 C ATOM 320 CG LYS A 21 -14.176 6.283 -10.696 1.00 0.00 C ATOM 321 CD LYS A 21 -14.275 5.368 -11.926 1.00 0.00 C ATOM 322 CE LYS A 21 -15.720 5.333 -12.425 1.00 0.00 C ATOM 323 NZ LYS A 21 -16.559 4.555 -11.470 1.00 0.00 N ATOM 0 H LYS A 21 -10.807 5.477 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.566 5.957 -7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.346 7.102 -9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.117 5.572 -10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.970 6.040 -9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.321 7.321 -10.995 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.616 5.730 -12.715 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.943 4.362 -11.671 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.107 6.347 -12.522 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.763 4.880 -13.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.954 3.723 -11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.975 4.245 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.335 5.154 -11.122 1.00 0.00 H new ATOM 337 N ASP A 22 -12.767 2.991 -9.098 1.00 0.00 N ATOM 338 CA ASP A 22 -13.327 1.625 -9.345 1.00 0.00 C ATOM 339 C ASP A 22 -13.405 0.820 -8.041 1.00 0.00 C ATOM 340 O ASP A 22 -14.261 -0.029 -7.896 1.00 0.00 O ATOM 341 CB ASP A 22 -12.433 0.891 -10.343 1.00 0.00 C ATOM 342 CG ASP A 22 -10.989 0.905 -9.842 1.00 0.00 C ATOM 343 OD1 ASP A 22 -10.766 1.397 -8.747 1.00 0.00 O ATOM 344 OD2 ASP A 22 -10.129 0.425 -10.561 1.00 0.00 O ATOM 0 H ASP A 22 -11.749 3.046 -9.096 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.335 1.728 -9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.776 -0.136 -10.467 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.494 1.368 -11.321 1.00 0.00 H new ATOM 349 N GLY A 23 -12.540 1.082 -7.083 1.00 0.00 N ATOM 350 CA GLY A 23 -12.604 0.323 -5.786 1.00 0.00 C ATOM 351 C GLY A 23 -11.206 -0.102 -5.308 1.00 0.00 C ATOM 352 O GLY A 23 -10.993 -0.293 -4.127 1.00 0.00 O ATOM 0 H GLY A 23 -11.800 1.781 -7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.076 0.943 -5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.230 -0.560 -5.911 1.00 0.00 H new ATOM 356 N ARG A 24 -10.253 -0.269 -6.187 1.00 0.00 N ATOM 357 CA ARG A 24 -8.903 -0.701 -5.709 1.00 0.00 C ATOM 358 C ARG A 24 -8.356 0.342 -4.732 1.00 0.00 C ATOM 359 O ARG A 24 -8.592 1.522 -4.866 1.00 0.00 O ATOM 360 CB ARG A 24 -7.921 -0.886 -6.894 1.00 0.00 C ATOM 361 CG ARG A 24 -8.383 -0.080 -8.109 1.00 0.00 C ATOM 362 CD ARG A 24 -7.301 -0.126 -9.194 1.00 0.00 C ATOM 363 NE ARG A 24 -7.307 -1.463 -9.854 1.00 0.00 N ATOM 364 CZ ARG A 24 -6.701 -1.623 -11.002 1.00 0.00 C ATOM 365 NH1 ARG A 24 -6.091 -0.616 -11.565 1.00 0.00 N ATOM 366 NH2 ARG A 24 -6.707 -2.790 -11.585 1.00 0.00 N ATOM 0 H ARG A 24 -10.344 -0.129 -7.193 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.003 -1.663 -5.206 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.922 -0.567 -6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.854 -1.942 -7.156 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.318 -0.487 -8.495 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.580 0.952 -7.820 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.480 0.656 -9.933 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.323 0.069 -8.754 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.782 -2.250 -9.412 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.087 0.297 -11.110 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.619 -0.742 -12.460 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.184 -3.577 -11.146 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.235 -2.915 -12.480 1.00 0.00 H new ATOM 380 N TYR A 25 -7.624 -0.088 -3.747 1.00 0.00 N ATOM 381 CA TYR A 25 -7.061 0.880 -2.770 1.00 0.00 C ATOM 382 C TYR A 25 -5.822 1.537 -3.375 1.00 0.00 C ATOM 383 O TYR A 25 -5.305 1.104 -4.389 1.00 0.00 O ATOM 384 CB TYR A 25 -6.676 0.156 -1.474 1.00 0.00 C ATOM 385 CG TYR A 25 -7.914 -0.129 -0.646 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.612 0.931 -0.055 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.357 -1.449 -0.459 1.00 0.00 C ATOM 388 CE1 TYR A 25 -9.749 0.675 0.719 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.498 -1.701 0.318 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.191 -0.639 0.905 1.00 0.00 C ATOM 391 OH TYR A 25 -11.315 -0.886 1.667 1.00 0.00 O ATOM 0 H TYR A 25 -7.391 -1.066 -3.576 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.809 1.639 -2.542 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.164 -0.777 -1.708 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.979 0.767 -0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.273 1.946 -0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.820 -2.269 -0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.287 1.494 1.174 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.840 -2.715 0.462 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.810 -0.051 1.800 1.00 0.00 H new ATOM 401 N LEU A 26 -5.345 2.580 -2.757 1.00 0.00 N ATOM 402 CA LEU A 26 -4.136 3.281 -3.284 1.00 0.00 C ATOM 403 C LEU A 26 -3.392 3.977 -2.139 1.00 0.00 C ATOM 404 O LEU A 26 -3.960 4.716 -1.361 1.00 0.00 O ATOM 405 CB LEU A 26 -4.559 4.314 -4.348 1.00 0.00 C ATOM 406 CG LEU A 26 -3.402 5.317 -4.651 1.00 0.00 C ATOM 407 CD1 LEU A 26 -3.301 5.582 -6.162 1.00 0.00 C ATOM 408 CD2 LEU A 26 -3.662 6.651 -3.924 1.00 0.00 C ATOM 0 H LEU A 26 -5.740 2.981 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.469 2.551 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.847 3.799 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.436 4.860 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.467 4.879 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.489 6.283 -6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.103 4.645 -6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.239 6.005 -6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.851 7.347 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.605 7.075 -4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.714 6.476 -2.849 1.00 0.00 H new ATOM 420 N TYR A 27 -2.111 3.745 -2.066 1.00 0.00 N ATOM 421 CA TYR A 27 -1.258 4.377 -1.019 1.00 0.00 C ATOM 422 C TYR A 27 0.027 4.850 -1.705 1.00 0.00 C ATOM 423 O TYR A 27 0.405 4.320 -2.731 1.00 0.00 O ATOM 424 CB TYR A 27 -0.935 3.343 0.062 1.00 0.00 C ATOM 425 CG TYR A 27 -0.033 3.955 1.109 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.562 4.835 2.062 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.330 3.630 1.135 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.270 5.392 3.041 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.162 4.191 2.113 1.00 0.00 C ATOM 430 CZ TYR A 27 1.632 5.070 3.066 1.00 0.00 C ATOM 431 OH TYR A 27 2.453 5.615 4.033 1.00 0.00 O ATOM 0 H TYR A 27 -1.607 3.129 -2.704 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.766 5.218 -0.547 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.856 2.989 0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.450 2.476 -0.386 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.613 5.084 2.042 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.738 2.949 0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.139 6.069 3.776 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.213 3.945 2.132 1.00 0.00 H new ATOM 0 HH TYR A 27 3.368 5.287 3.908 1.00 0.00 H new ATOM 441 N LYS A 28 0.693 5.849 -1.175 1.00 0.00 N ATOM 442 CA LYS A 28 1.946 6.361 -1.831 1.00 0.00 C ATOM 443 C LYS A 28 3.091 6.395 -0.819 1.00 0.00 C ATOM 444 O LYS A 28 2.908 6.696 0.344 1.00 0.00 O ATOM 445 CB LYS A 28 1.641 7.761 -2.457 1.00 0.00 C ATOM 446 CG LYS A 28 2.431 8.925 -1.808 1.00 0.00 C ATOM 447 CD LYS A 28 3.821 9.039 -2.436 1.00 0.00 C ATOM 448 CE LYS A 28 4.656 10.064 -1.663 1.00 0.00 C ATOM 449 NZ LYS A 28 4.620 9.741 -0.208 1.00 0.00 N ATOM 0 H LYS A 28 0.426 6.333 -0.318 1.00 0.00 H new ATOM 0 HA LYS A 28 2.267 5.697 -2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.870 7.729 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.574 7.964 -2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.887 9.860 -1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.522 8.758 -0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.317 8.068 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.735 9.339 -3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.685 10.056 -2.023 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.267 11.068 -1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.414 10.211 0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.723 10.074 0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.698 8.712 -0.079 1.00 0.00 H new ATOM 463 N TYR A 29 4.277 6.093 -1.274 1.00 0.00 N ATOM 464 CA TYR A 29 5.472 6.107 -0.373 1.00 0.00 C ATOM 465 C TYR A 29 6.651 6.770 -1.104 1.00 0.00 C ATOM 466 O TYR A 29 6.582 7.047 -2.284 1.00 0.00 O ATOM 467 CB TYR A 29 5.830 4.672 0.020 1.00 0.00 C ATOM 468 CG TYR A 29 6.363 3.930 -1.183 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.498 3.582 -2.228 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.719 3.594 -1.254 1.00 0.00 C ATOM 471 CE1 TYR A 29 5.991 2.896 -3.344 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.212 2.911 -2.368 1.00 0.00 C ATOM 473 CZ TYR A 29 7.350 2.560 -3.414 1.00 0.00 C ATOM 474 OH TYR A 29 7.838 1.885 -4.515 1.00 0.00 O ATOM 0 H TYR A 29 4.474 5.834 -2.241 1.00 0.00 H new ATOM 0 HA TYR A 29 5.249 6.675 0.530 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.576 4.678 0.815 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.950 4.162 0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.451 3.843 -2.173 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.385 3.863 -0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.325 2.626 -4.150 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.259 2.653 -2.423 1.00 0.00 H new ATOM 0 HH TYR A 29 8.800 1.731 -4.405 1.00 0.00 H new ATOM 484 N ILE A 30 7.727 7.040 -0.406 1.00 0.00 N ATOM 485 CA ILE A 30 8.914 7.701 -1.045 1.00 0.00 C ATOM 486 C ILE A 30 9.977 6.649 -1.378 1.00 0.00 C ATOM 487 O ILE A 30 10.288 5.791 -0.574 1.00 0.00 O ATOM 488 CB ILE A 30 9.510 8.722 -0.059 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.521 9.897 0.153 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.855 9.243 -0.595 1.00 0.00 C ATOM 491 CD1 ILE A 30 8.728 10.990 -0.906 1.00 0.00 C ATOM 0 H ILE A 30 7.837 6.830 0.586 1.00 0.00 H new ATOM 0 HA ILE A 30 8.601 8.201 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 30 9.680 8.234 0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.497 9.528 0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.660 10.319 1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.271 9.965 0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.548 8.409 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.700 9.724 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.021 11.802 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.746 11.374 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.564 10.571 -1.899 1.00 0.00 H new ATOM 503 N ASP A 31 10.548 6.718 -2.552 1.00 0.00 N ATOM 504 CA ASP A 31 11.602 5.734 -2.926 1.00 0.00 C ATOM 505 C ASP A 31 12.940 6.178 -2.328 1.00 0.00 C ATOM 506 O ASP A 31 13.107 7.316 -1.935 1.00 0.00 O ATOM 507 CB ASP A 31 11.728 5.672 -4.450 1.00 0.00 C ATOM 508 CG ASP A 31 10.461 5.059 -5.047 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.652 4.557 -4.283 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.322 5.105 -6.256 1.00 0.00 O ATOM 0 H ASP A 31 10.329 7.413 -3.266 1.00 0.00 H new ATOM 0 HA ASP A 31 11.333 4.750 -2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.884 6.673 -4.853 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.598 5.077 -4.729 1.00 0.00 H new ATOM 515 N SER A 32 13.892 5.292 -2.256 1.00 0.00 N ATOM 516 CA SER A 32 15.218 5.665 -1.690 1.00 0.00 C ATOM 517 C SER A 32 15.867 6.721 -2.584 1.00 0.00 C ATOM 518 O SER A 32 16.967 7.171 -2.327 1.00 0.00 O ATOM 519 CB SER A 32 16.120 4.431 -1.613 1.00 0.00 C ATOM 520 OG SER A 32 16.675 4.171 -2.894 1.00 0.00 O ATOM 0 H SER A 32 13.810 4.323 -2.565 1.00 0.00 H new ATOM 0 HA SER A 32 15.082 6.067 -0.686 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.916 4.594 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.547 3.569 -1.271 1.00 0.00 H new ATOM 0 HG SER A 32 15.994 4.323 -3.582 1.00 0.00 H new ATOM 526 N PHE A 33 15.193 7.123 -3.637 1.00 0.00 N ATOM 527 CA PHE A 33 15.768 8.152 -4.555 1.00 0.00 C ATOM 528 C PHE A 33 15.129 9.504 -4.223 1.00 0.00 C ATOM 529 O PHE A 33 15.671 10.548 -4.525 1.00 0.00 O ATOM 530 CB PHE A 33 15.453 7.767 -6.011 1.00 0.00 C ATOM 531 CG PHE A 33 15.474 6.256 -6.155 1.00 0.00 C ATOM 532 CD1 PHE A 33 16.642 5.538 -5.861 1.00 0.00 C ATOM 533 CD2 PHE A 33 14.325 5.574 -6.585 1.00 0.00 C ATOM 534 CE1 PHE A 33 16.658 4.144 -5.997 1.00 0.00 C ATOM 535 CE2 PHE A 33 14.345 4.180 -6.722 1.00 0.00 C ATOM 536 CZ PHE A 33 15.512 3.466 -6.428 1.00 0.00 C ATOM 0 H PHE A 33 14.268 6.781 -3.898 1.00 0.00 H new ATOM 0 HA PHE A 33 16.849 8.213 -4.431 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.476 8.156 -6.297 1.00 0.00 H new ATOM 0 HB3 PHE A 33 16.184 8.216 -6.683 1.00 0.00 H new ATOM 0 HD1 PHE A 33 17.528 6.059 -5.530 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.424 6.125 -6.811 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.557 3.591 -5.769 1.00 0.00 H new ATOM 0 HE2 PHE A 33 13.461 3.657 -7.054 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.528 2.391 -6.534 1.00 0.00 H new ATOM 546 N GLY A 34 13.988 9.484 -3.576 1.00 0.00 N ATOM 547 CA GLY A 34 13.304 10.758 -3.183 1.00 0.00 C ATOM 548 C GLY A 34 12.064 11.000 -4.050 1.00 0.00 C ATOM 549 O GLY A 34 11.309 11.921 -3.811 1.00 0.00 O ATOM 0 H GLY A 34 13.497 8.633 -3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.016 10.712 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.995 11.594 -3.288 1.00 0.00 H new ATOM 553 N GLU A 35 11.842 10.194 -5.058 1.00 0.00 N ATOM 554 CA GLU A 35 10.642 10.409 -5.928 1.00 0.00 C ATOM 555 C GLU A 35 9.420 9.697 -5.312 1.00 0.00 C ATOM 556 O GLU A 35 9.570 8.675 -4.675 1.00 0.00 O ATOM 557 CB GLU A 35 10.925 9.839 -7.322 1.00 0.00 C ATOM 558 CG GLU A 35 11.289 8.354 -7.224 1.00 0.00 C ATOM 559 CD GLU A 35 11.440 7.774 -8.632 1.00 0.00 C ATOM 560 OE1 GLU A 35 10.486 7.854 -9.388 1.00 0.00 O ATOM 561 OE2 GLU A 35 12.507 7.262 -8.931 1.00 0.00 O ATOM 0 H GLU A 35 12.433 9.403 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 35 10.431 11.476 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.049 9.965 -7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.741 10.391 -7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.218 8.232 -6.667 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.516 7.814 -6.677 1.00 0.00 H new ATOM 568 N PRO A 36 8.218 10.212 -5.496 1.00 0.00 N ATOM 569 CA PRO A 36 6.989 9.570 -4.939 1.00 0.00 C ATOM 570 C PRO A 36 6.452 8.447 -5.844 1.00 0.00 C ATOM 571 O PRO A 36 6.475 8.548 -7.054 1.00 0.00 O ATOM 572 CB PRO A 36 5.998 10.732 -4.874 1.00 0.00 C ATOM 573 CG PRO A 36 6.360 11.604 -6.028 1.00 0.00 C ATOM 574 CD PRO A 36 7.879 11.451 -6.234 1.00 0.00 C ATOM 0 HA PRO A 36 7.172 9.089 -3.978 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.969 10.380 -4.951 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.081 11.270 -3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.815 11.307 -6.924 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.099 12.643 -5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.132 11.368 -7.291 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.423 12.310 -5.843 1.00 0.00 H new ATOM 582 N GLN A 37 5.956 7.385 -5.254 1.00 0.00 N ATOM 583 CA GLN A 37 5.393 6.244 -6.053 1.00 0.00 C ATOM 584 C GLN A 37 4.007 5.900 -5.493 1.00 0.00 C ATOM 585 O GLN A 37 3.626 6.363 -4.436 1.00 0.00 O ATOM 586 CB GLN A 37 6.321 5.017 -5.941 1.00 0.00 C ATOM 587 CG GLN A 37 7.392 5.061 -7.037 1.00 0.00 C ATOM 588 CD GLN A 37 8.154 6.378 -6.956 1.00 0.00 C ATOM 589 OE1 GLN A 37 8.547 6.811 -5.792 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 8.405 7.014 -7.960 1.00 0.00 N flip ATOM 0 H GLN A 37 5.916 7.257 -4.243 1.00 0.00 H new ATOM 0 HA GLN A 37 5.314 6.526 -7.103 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.795 4.999 -4.960 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.737 4.101 -6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.080 4.224 -6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.927 4.958 -8.018 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.096 6.673 -8.870 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.925 7.889 -7.893 1.00 0.00 H new ATOM 599 N PHE A 38 3.248 5.100 -6.201 1.00 0.00 N ATOM 600 CA PHE A 38 1.877 4.732 -5.725 1.00 0.00 C ATOM 601 C PHE A 38 1.647 3.226 -5.883 1.00 0.00 C ATOM 602 O PHE A 38 2.103 2.609 -6.826 1.00 0.00 O ATOM 603 CB PHE A 38 0.856 5.513 -6.546 1.00 0.00 C ATOM 604 CG PHE A 38 1.009 6.985 -6.240 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.068 7.710 -6.800 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.095 7.622 -5.395 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.211 9.073 -6.513 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.237 8.986 -5.109 1.00 0.00 C ATOM 609 CZ PHE A 38 1.296 9.711 -5.670 1.00 0.00 C ATOM 0 H PHE A 38 3.520 4.684 -7.092 1.00 0.00 H new ATOM 0 HA PHE A 38 1.771 4.980 -4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.008 5.331 -7.610 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.154 5.181 -6.307 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.774 7.218 -7.453 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.721 7.062 -4.963 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.029 9.632 -6.943 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.469 9.478 -4.457 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.406 10.763 -5.451 1.00 0.00 H new ATOM 619 N VAL A 39 0.943 2.634 -4.947 1.00 0.00 N ATOM 620 CA VAL A 39 0.664 1.164 -4.992 1.00 0.00 C ATOM 621 C VAL A 39 -0.837 0.942 -5.214 1.00 0.00 C ATOM 622 O VAL A 39 -1.645 1.795 -4.915 1.00 0.00 O ATOM 623 CB VAL A 39 1.082 0.540 -3.647 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.567 0.183 -3.663 1.00 0.00 C ATOM 625 CG2 VAL A 39 0.832 1.542 -2.520 1.00 0.00 C ATOM 0 H VAL A 39 0.544 3.116 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 39 1.223 0.701 -5.805 1.00 0.00 H new ATOM 0 HB VAL A 39 0.494 -0.364 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.846 -0.257 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.760 -0.534 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.156 1.084 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.128 1.100 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.417 2.444 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.227 1.797 -2.488 1.00 0.00 H new ATOM 635 N TYR A 40 -1.210 -0.204 -5.736 1.00 0.00 N ATOM 636 CA TYR A 40 -2.659 -0.505 -5.983 1.00 0.00 C ATOM 637 C TYR A 40 -2.983 -1.907 -5.466 1.00 0.00 C ATOM 638 O TYR A 40 -2.161 -2.801 -5.511 1.00 0.00 O ATOM 639 CB TYR A 40 -2.936 -0.462 -7.486 1.00 0.00 C ATOM 640 CG TYR A 40 -2.710 0.935 -8.003 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.429 1.333 -8.400 1.00 0.00 C ATOM 642 CD2 TYR A 40 -3.779 1.830 -8.086 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.219 2.629 -8.882 1.00 0.00 C ATOM 644 CE2 TYR A 40 -3.569 3.124 -8.566 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.290 3.525 -8.966 1.00 0.00 C ATOM 646 OH TYR A 40 -2.086 4.806 -9.439 1.00 0.00 O ATOM 0 H TYR A 40 -0.568 -0.950 -6.004 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.273 0.233 -5.468 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.283 -1.163 -8.006 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.961 -0.773 -7.686 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.603 0.640 -8.334 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.767 1.521 -7.779 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.231 2.938 -9.189 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.395 3.817 -8.629 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.935 5.296 -9.433 1.00 0.00 H new ATOM 656 N SER A 41 -4.179 -2.113 -4.989 1.00 0.00 N ATOM 657 CA SER A 41 -4.553 -3.466 -4.487 1.00 0.00 C ATOM 658 C SER A 41 -6.045 -3.500 -4.169 1.00 0.00 C ATOM 659 O SER A 41 -6.627 -2.509 -3.774 1.00 0.00 O ATOM 660 CB SER A 41 -3.762 -3.785 -3.220 1.00 0.00 C ATOM 661 OG SER A 41 -4.153 -5.062 -2.731 1.00 0.00 O ATOM 0 H SER A 41 -4.912 -1.406 -4.925 1.00 0.00 H new ATOM 0 HA SER A 41 -4.324 -4.206 -5.254 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.693 -3.776 -3.433 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.943 -3.022 -2.463 1.00 0.00 H new ATOM 0 HG SER A 41 -3.402 -5.474 -2.256 1.00 0.00 H new ATOM 667 N TRP A 42 -6.668 -4.634 -4.328 1.00 0.00 N ATOM 668 CA TRP A 42 -8.119 -4.742 -4.025 1.00 0.00 C ATOM 669 C TRP A 42 -8.289 -5.179 -2.567 1.00 0.00 C ATOM 670 O TRP A 42 -9.347 -5.619 -2.160 1.00 0.00 O ATOM 671 CB TRP A 42 -8.742 -5.785 -4.950 1.00 0.00 C ATOM 672 CG TRP A 42 -8.678 -5.306 -6.360 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.753 -5.689 -7.265 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.559 -4.369 -7.044 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.006 -5.045 -8.460 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.109 -4.222 -8.376 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.691 -3.641 -6.644 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -9.758 -3.381 -9.279 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.349 -2.792 -7.551 1.00 0.00 C ATOM 680 CH2 TRP A 42 -10.884 -2.663 -8.866 1.00 0.00 C ATOM 0 H TRP A 42 -6.230 -5.495 -4.657 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.610 -3.781 -4.178 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.213 -6.733 -4.853 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.778 -5.967 -4.664 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.947 -6.385 -7.084 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.445 -5.164 -9.303 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.059 -3.734 -5.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.393 -3.285 -10.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.218 -2.236 -7.232 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -11.394 -2.010 -9.559 1.00 0.00 H new ATOM 691 N LYS A 43 -7.246 -5.062 -1.774 1.00 0.00 N ATOM 692 CA LYS A 43 -7.329 -5.468 -0.334 1.00 0.00 C ATOM 693 C LYS A 43 -6.696 -4.397 0.552 1.00 0.00 C ATOM 694 O LYS A 43 -5.700 -3.793 0.206 1.00 0.00 O ATOM 695 CB LYS A 43 -6.565 -6.778 -0.118 1.00 0.00 C ATOM 696 CG LYS A 43 -7.198 -7.894 -0.954 1.00 0.00 C ATOM 697 CD LYS A 43 -6.809 -9.273 -0.396 1.00 0.00 C ATOM 698 CE LYS A 43 -5.360 -9.591 -0.771 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.989 -10.940 -0.251 1.00 0.00 N ATOM 0 H LYS A 43 -6.338 -4.701 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.380 -5.595 -0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.520 -6.650 -0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.581 -7.049 0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.283 -7.787 -0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.872 -7.809 -1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.925 -9.283 0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.474 -10.038 -0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.240 -9.563 -1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.693 -8.835 -0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.090 -10.877 0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.735 -11.283 0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.883 -11.602 -1.046 1.00 0.00 H new ATOM 713 N LEU A 44 -7.261 -4.181 1.707 1.00 0.00 N ATOM 714 CA LEU A 44 -6.702 -3.176 2.654 1.00 0.00 C ATOM 715 C LEU A 44 -5.770 -3.904 3.624 1.00 0.00 C ATOM 716 O LEU A 44 -4.692 -3.440 3.934 1.00 0.00 O ATOM 717 CB LEU A 44 -7.854 -2.521 3.432 1.00 0.00 C ATOM 718 CG LEU A 44 -7.308 -1.546 4.492 1.00 0.00 C ATOM 719 CD1 LEU A 44 -6.645 -0.343 3.811 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.466 -1.058 5.371 1.00 0.00 C ATOM 0 H LEU A 44 -8.096 -4.664 2.039 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.152 -2.404 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.508 -1.988 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.458 -3.290 3.914 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.567 -2.060 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.263 0.340 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.822 -0.687 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.378 0.175 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.086 -0.367 6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.204 -0.549 4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.933 -1.911 5.864 1.00 0.00 H new ATOM 732 N VAL A 45 -6.201 -5.042 4.116 1.00 0.00 N ATOM 733 CA VAL A 45 -5.376 -5.826 5.094 1.00 0.00 C ATOM 734 C VAL A 45 -4.996 -7.180 4.473 1.00 0.00 C ATOM 735 O VAL A 45 -5.392 -7.504 3.371 1.00 0.00 O ATOM 736 CB VAL A 45 -6.207 -6.056 6.372 1.00 0.00 C ATOM 737 CG1 VAL A 45 -5.295 -6.247 7.591 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.114 -4.845 6.606 1.00 0.00 C ATOM 0 H VAL A 45 -7.098 -5.466 3.880 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.466 -5.278 5.339 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.805 -6.958 6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.905 -6.408 8.480 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.651 -7.112 7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.680 -5.357 7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.704 -5.002 7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.503 -3.950 6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.781 -4.720 5.753 1.00 0.00 H new ATOM 748 N ALA A 46 -4.219 -7.958 5.174 1.00 0.00 N ATOM 749 CA ALA A 46 -3.784 -9.286 4.644 1.00 0.00 C ATOM 750 C ALA A 46 -4.893 -10.334 4.816 1.00 0.00 C ATOM 751 O ALA A 46 -4.836 -11.399 4.233 1.00 0.00 O ATOM 752 CB ALA A 46 -2.525 -9.728 5.402 1.00 0.00 C ATOM 0 H ALA A 46 -3.862 -7.730 6.102 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.570 -9.195 3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.195 -10.696 5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.734 -8.993 5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.750 -9.809 6.465 1.00 0.00 H new ATOM 758 N THR A 47 -5.886 -10.065 5.623 1.00 0.00 N ATOM 759 CA THR A 47 -6.973 -11.077 5.838 1.00 0.00 C ATOM 760 C THR A 47 -8.147 -10.853 4.875 1.00 0.00 C ATOM 761 O THR A 47 -8.997 -11.707 4.723 1.00 0.00 O ATOM 762 CB THR A 47 -7.488 -10.959 7.274 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.010 -9.654 7.480 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.345 -11.217 8.257 1.00 0.00 C ATOM 0 H THR A 47 -5.995 -9.194 6.142 1.00 0.00 H new ATOM 0 HA THR A 47 -6.557 -12.067 5.653 1.00 0.00 H new ATOM 0 HB THR A 47 -8.273 -11.697 7.439 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.342 -9.576 8.399 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.717 -11.132 9.278 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.948 -12.219 8.098 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.555 -10.484 8.096 1.00 0.00 H new ATOM 772 N ASP A 48 -8.216 -9.722 4.229 1.00 0.00 N ATOM 773 CA ASP A 48 -9.357 -9.476 3.296 1.00 0.00 C ATOM 774 C ASP A 48 -9.247 -10.381 2.064 1.00 0.00 C ATOM 775 O ASP A 48 -8.248 -11.040 1.851 1.00 0.00 O ATOM 776 CB ASP A 48 -9.366 -8.006 2.868 1.00 0.00 C ATOM 777 CG ASP A 48 -9.844 -7.136 4.036 1.00 0.00 C ATOM 778 OD1 ASP A 48 -10.344 -7.692 5.000 1.00 0.00 O ATOM 779 OD2 ASP A 48 -9.704 -5.928 3.943 1.00 0.00 O ATOM 0 H ASP A 48 -7.540 -8.962 4.304 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.289 -9.706 3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.367 -7.700 2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.022 -7.871 2.008 1.00 0.00 H new ATOM 784 N ARG A 49 -10.287 -10.423 1.260 1.00 0.00 N ATOM 785 CA ARG A 49 -10.289 -11.289 0.034 1.00 0.00 C ATOM 786 C ARG A 49 -10.569 -10.419 -1.198 1.00 0.00 C ATOM 787 O ARG A 49 -11.272 -9.431 -1.131 1.00 0.00 O ATOM 788 CB ARG A 49 -11.392 -12.370 0.183 1.00 0.00 C ATOM 789 CG ARG A 49 -10.770 -13.727 0.558 1.00 0.00 C ATOM 790 CD ARG A 49 -10.242 -14.418 -0.705 1.00 0.00 C ATOM 791 NE ARG A 49 -11.391 -14.943 -1.499 1.00 0.00 N ATOM 792 CZ ARG A 49 -11.213 -15.325 -2.735 1.00 0.00 C ATOM 793 NH1 ARG A 49 -10.023 -15.279 -3.269 1.00 0.00 N ATOM 794 NH2 ARG A 49 -12.224 -15.761 -3.437 1.00 0.00 N ATOM 0 H ARG A 49 -11.144 -9.888 1.403 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.320 -11.775 -0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.106 -12.066 0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.947 -12.463 -0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.959 -13.582 1.271 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.514 -14.357 1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.664 -13.714 -1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.571 -15.233 -0.434 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.317 -15.004 -1.076 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.231 -14.944 -2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.885 -15.578 -4.235 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.154 -15.803 -3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.084 -16.059 -4.402 1.00 0.00 H new ATOM 808 N VAL A 50 -10.010 -10.782 -2.321 1.00 0.00 N ATOM 809 CA VAL A 50 -10.222 -9.987 -3.557 1.00 0.00 C ATOM 810 C VAL A 50 -11.572 -10.356 -4.197 1.00 0.00 C ATOM 811 O VAL A 50 -11.978 -11.499 -4.142 1.00 0.00 O ATOM 812 CB VAL A 50 -9.122 -10.323 -4.562 1.00 0.00 C ATOM 813 CG1 VAL A 50 -7.758 -9.960 -3.996 1.00 0.00 C ATOM 814 CG2 VAL A 50 -9.165 -11.819 -4.878 1.00 0.00 C ATOM 0 H VAL A 50 -9.412 -11.601 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.207 -8.928 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.286 -9.748 -5.473 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.985 -10.206 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.726 -8.892 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.584 -10.522 -3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.381 -12.062 -5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.008 -12.389 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.136 -12.074 -5.302 1.00 0.00 H new ATOM 824 N PRO A 51 -12.253 -9.425 -4.840 1.00 0.00 N ATOM 825 CA PRO A 51 -13.542 -9.739 -5.520 1.00 0.00 C ATOM 826 C PRO A 51 -13.383 -10.941 -6.465 1.00 0.00 C ATOM 827 O PRO A 51 -12.384 -11.072 -7.146 1.00 0.00 O ATOM 828 CB PRO A 51 -13.882 -8.465 -6.321 1.00 0.00 C ATOM 829 CG PRO A 51 -13.078 -7.357 -5.705 1.00 0.00 C ATOM 830 CD PRO A 51 -11.885 -8.002 -4.983 1.00 0.00 C ATOM 0 HA PRO A 51 -14.325 -10.006 -4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.631 -8.589 -7.375 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -14.949 -8.247 -6.271 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.733 -6.662 -6.470 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.687 -6.785 -5.005 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.966 -7.887 -5.558 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.713 -7.539 -4.011 1.00 0.00 H new ATOM 838 N ALA A 52 -14.348 -11.815 -6.518 1.00 0.00 N ATOM 839 CA ALA A 52 -14.230 -12.993 -7.427 1.00 0.00 C ATOM 840 C ALA A 52 -13.785 -12.526 -8.819 1.00 0.00 C ATOM 841 O ALA A 52 -14.099 -11.432 -9.246 1.00 0.00 O ATOM 842 CB ALA A 52 -15.583 -13.699 -7.536 1.00 0.00 C ATOM 0 H ALA A 52 -15.210 -11.767 -5.975 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.492 -13.686 -7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.493 -14.558 -8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.898 -14.036 -6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.323 -13.007 -7.937 1.00 0.00 H new ATOM 848 N GLY A 53 -13.058 -13.346 -9.530 1.00 0.00 N ATOM 849 CA GLY A 53 -12.592 -12.951 -10.895 1.00 0.00 C ATOM 850 C GLY A 53 -11.270 -12.189 -10.781 1.00 0.00 C ATOM 851 O GLY A 53 -10.519 -12.083 -11.730 1.00 0.00 O ATOM 0 H GLY A 53 -12.765 -14.274 -9.225 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.461 -13.837 -11.517 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.343 -12.328 -11.381 1.00 0.00 H new ATOM 855 N LYS A 54 -10.981 -11.657 -9.622 1.00 0.00 N ATOM 856 CA LYS A 54 -9.715 -10.898 -9.426 1.00 0.00 C ATOM 857 C LYS A 54 -8.678 -11.818 -8.771 1.00 0.00 C ATOM 858 O LYS A 54 -8.989 -12.570 -7.869 1.00 0.00 O ATOM 859 CB LYS A 54 -10.005 -9.711 -8.508 1.00 0.00 C ATOM 860 CG LYS A 54 -11.266 -8.955 -8.970 1.00 0.00 C ATOM 861 CD LYS A 54 -11.076 -8.341 -10.369 1.00 0.00 C ATOM 862 CE LYS A 54 -9.855 -7.407 -10.388 1.00 0.00 C ATOM 863 NZ LYS A 54 -8.626 -8.187 -10.711 1.00 0.00 N ATOM 0 H LYS A 54 -11.576 -11.718 -8.796 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.328 -10.543 -10.381 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.141 -10.062 -7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.151 -9.033 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.116 -9.637 -8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.501 -8.167 -8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.946 -9.134 -11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.970 -7.786 -10.653 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.001 -6.618 -11.126 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.743 -6.920 -9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.941 -7.571 -11.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.205 -8.552 -9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.873 -8.983 -11.333 1.00 0.00 H new ATOM 877 N ARG A 55 -7.452 -11.768 -9.219 1.00 0.00 N ATOM 878 CA ARG A 55 -6.404 -12.647 -8.621 1.00 0.00 C ATOM 879 C ARG A 55 -5.973 -12.085 -7.261 1.00 0.00 C ATOM 880 O ARG A 55 -6.304 -10.972 -6.903 1.00 0.00 O ATOM 881 CB ARG A 55 -5.197 -12.718 -9.563 1.00 0.00 C ATOM 882 CG ARG A 55 -5.588 -13.475 -10.836 1.00 0.00 C ATOM 883 CD ARG A 55 -4.353 -13.680 -11.716 1.00 0.00 C ATOM 884 NE ARG A 55 -4.757 -14.388 -12.965 1.00 0.00 N ATOM 885 CZ ARG A 55 -3.939 -14.445 -13.981 1.00 0.00 C ATOM 886 NH1 ARG A 55 -2.760 -13.891 -13.902 1.00 0.00 N ATOM 887 NH2 ARG A 55 -4.300 -15.056 -15.077 1.00 0.00 N ATOM 0 H ARG A 55 -7.131 -11.158 -9.971 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.808 -13.649 -8.480 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.858 -11.713 -9.814 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.365 -13.220 -9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.026 -14.439 -10.577 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.348 -12.917 -11.383 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.900 -12.719 -11.958 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.602 -14.261 -11.181 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.675 -14.829 -13.026 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.477 -13.413 -13.046 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.121 -13.936 -14.696 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.221 -15.489 -15.140 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.661 -15.100 -15.870 1.00 0.00 H new ATOM 901 N ASP A 56 -5.246 -12.856 -6.494 1.00 0.00 N ATOM 902 CA ASP A 56 -4.803 -12.383 -5.151 1.00 0.00 C ATOM 903 C ASP A 56 -3.947 -11.123 -5.290 1.00 0.00 C ATOM 904 O ASP A 56 -3.432 -10.816 -6.348 1.00 0.00 O ATOM 905 CB ASP A 56 -3.981 -13.478 -4.469 1.00 0.00 C ATOM 906 CG ASP A 56 -3.806 -13.139 -2.986 1.00 0.00 C ATOM 907 OD1 ASP A 56 -4.673 -12.472 -2.445 1.00 0.00 O ATOM 908 OD2 ASP A 56 -2.809 -13.551 -2.418 1.00 0.00 O ATOM 0 H ASP A 56 -4.940 -13.797 -6.742 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.683 -12.153 -4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.480 -14.441 -4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.007 -13.568 -4.949 1.00 0.00 H new ATOM 913 N CYS A 57 -3.791 -10.393 -4.218 1.00 0.00 N ATOM 914 CA CYS A 57 -2.969 -9.149 -4.255 1.00 0.00 C ATOM 915 C CYS A 57 -2.375 -8.921 -2.865 1.00 0.00 C ATOM 916 O CYS A 57 -2.935 -9.332 -1.869 1.00 0.00 O ATOM 917 CB CYS A 57 -3.858 -7.964 -4.643 1.00 0.00 C ATOM 918 SG CYS A 57 -4.551 -8.258 -6.289 1.00 0.00 S ATOM 0 H CYS A 57 -4.202 -10.608 -3.310 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.168 -9.245 -4.988 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.659 -7.840 -3.914 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.278 -7.041 -4.639 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.972 -9.291 -6.826 1.00 0.00 H new ATOM 924 N ILE A 58 -1.240 -8.285 -2.780 1.00 0.00 N ATOM 925 CA ILE A 58 -0.621 -8.059 -1.442 1.00 0.00 C ATOM 926 C ILE A 58 -1.278 -6.848 -0.772 1.00 0.00 C ATOM 927 O ILE A 58 -1.491 -5.822 -1.386 1.00 0.00 O ATOM 928 CB ILE A 58 0.880 -7.815 -1.600 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.504 -8.958 -2.406 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.535 -7.775 -0.217 1.00 0.00 C ATOM 931 CD1 ILE A 58 2.944 -8.592 -2.763 1.00 0.00 C ATOM 0 H ILE A 58 -0.716 -7.914 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.773 -8.941 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 58 1.038 -6.868 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.484 -9.881 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.926 -9.138 -3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.605 -7.601 -0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.095 -6.970 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.372 -8.726 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.394 -9.402 -3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.950 -7.679 -3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.516 -8.434 -1.849 1.00 0.00 H new ATOM 943 N SER A 59 -1.608 -6.974 0.484 1.00 0.00 N ATOM 944 CA SER A 59 -2.261 -5.852 1.220 1.00 0.00 C ATOM 945 C SER A 59 -1.360 -4.619 1.232 1.00 0.00 C ATOM 946 O SER A 59 -0.151 -4.719 1.211 1.00 0.00 O ATOM 947 CB SER A 59 -2.519 -6.283 2.658 1.00 0.00 C ATOM 948 OG SER A 59 -3.142 -5.221 3.365 1.00 0.00 O ATOM 0 H SER A 59 -1.452 -7.816 1.039 1.00 0.00 H new ATOM 0 HA SER A 59 -3.197 -5.604 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.155 -7.168 2.675 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.581 -6.555 3.141 1.00 0.00 H new ATOM 0 HG SER A 59 -3.590 -4.624 2.730 1.00 0.00 H new ATOM 954 N LEU A 60 -1.946 -3.456 1.284 1.00 0.00 N ATOM 955 CA LEU A 60 -1.132 -2.212 1.315 1.00 0.00 C ATOM 956 C LEU A 60 -0.119 -2.310 2.464 1.00 0.00 C ATOM 957 O LEU A 60 1.077 -2.319 2.261 1.00 0.00 O ATOM 958 CB LEU A 60 -2.064 -1.004 1.576 1.00 0.00 C ATOM 959 CG LEU A 60 -2.522 -0.357 0.262 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.111 -1.419 -0.673 1.00 0.00 C ATOM 961 CD2 LEU A 60 -3.589 0.700 0.579 1.00 0.00 C ATOM 0 H LEU A 60 -2.956 -3.314 1.306 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.613 -2.085 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.934 -1.330 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.543 -0.265 2.185 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.669 0.108 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.432 -0.948 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.354 -2.172 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.966 -1.893 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.924 1.168 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.437 0.225 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.165 1.459 1.237 1.00 0.00 H new ATOM 973 N ARG A 61 -0.610 -2.357 3.669 1.00 0.00 N ATOM 974 CA ARG A 61 0.287 -2.411 4.863 1.00 0.00 C ATOM 975 C ARG A 61 1.472 -3.352 4.639 1.00 0.00 C ATOM 976 O ARG A 61 2.601 -2.998 4.915 1.00 0.00 O ATOM 977 CB ARG A 61 -0.526 -2.892 6.073 1.00 0.00 C ATOM 978 CG ARG A 61 -1.900 -2.164 6.121 1.00 0.00 C ATOM 979 CD ARG A 61 -2.136 -1.538 7.499 1.00 0.00 C ATOM 980 NE ARG A 61 -3.369 -0.706 7.447 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.952 -0.337 8.554 1.00 0.00 C ATOM 982 NH1 ARG A 61 -3.466 -0.715 9.704 1.00 0.00 N ATOM 983 NH2 ARG A 61 -5.020 0.411 8.510 1.00 0.00 N ATOM 0 H ARG A 61 -1.607 -2.360 3.884 1.00 0.00 H new ATOM 0 HA ARG A 61 0.685 -1.412 5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.679 -3.969 6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.028 -2.700 6.992 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.933 -1.390 5.354 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.699 -2.870 5.896 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.239 -2.317 8.254 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.281 -0.926 7.786 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.758 -0.425 6.547 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.630 -1.299 9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.922 -0.427 10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.399 0.707 7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.476 0.700 9.375 1.00 0.00 H new ATOM 997 N GLU A 62 1.250 -4.544 4.164 1.00 0.00 N ATOM 998 CA GLU A 62 2.405 -5.465 3.969 1.00 0.00 C ATOM 999 C GLU A 62 3.299 -4.948 2.837 1.00 0.00 C ATOM 1000 O GLU A 62 4.503 -5.107 2.872 1.00 0.00 O ATOM 1001 CB GLU A 62 1.904 -6.884 3.650 1.00 0.00 C ATOM 1002 CG GLU A 62 1.149 -7.469 4.868 1.00 0.00 C ATOM 1003 CD GLU A 62 1.327 -8.992 4.916 1.00 0.00 C ATOM 1004 OE1 GLU A 62 1.396 -9.596 3.859 1.00 0.00 O ATOM 1005 OE2 GLU A 62 1.396 -9.524 6.012 1.00 0.00 O ATOM 0 H GLU A 62 0.336 -4.917 3.906 1.00 0.00 H new ATOM 0 HA GLU A 62 2.989 -5.502 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.245 -6.859 2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.746 -7.526 3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.525 -7.022 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.090 -7.221 4.803 1.00 0.00 H new ATOM 1012 N LYS A 63 2.735 -4.321 1.842 1.00 0.00 N ATOM 1013 CA LYS A 63 3.584 -3.792 0.731 1.00 0.00 C ATOM 1014 C LYS A 63 4.446 -2.630 1.245 1.00 0.00 C ATOM 1015 O LYS A 63 5.609 -2.514 0.914 1.00 0.00 O ATOM 1016 CB LYS A 63 2.695 -3.289 -0.413 1.00 0.00 C ATOM 1017 CG LYS A 63 2.095 -4.479 -1.176 1.00 0.00 C ATOM 1018 CD LYS A 63 1.400 -3.987 -2.465 1.00 0.00 C ATOM 1019 CE LYS A 63 2.412 -3.915 -3.615 1.00 0.00 C ATOM 1020 NZ LYS A 63 1.728 -3.466 -4.860 1.00 0.00 N ATOM 0 H LYS A 63 1.734 -4.152 1.748 1.00 0.00 H new ATOM 0 HA LYS A 63 4.227 -4.594 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.897 -2.662 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.279 -2.668 -1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.879 -5.193 -1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.378 -5.002 -0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.586 -4.662 -2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.958 -3.005 -2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.216 -3.224 -3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.869 -4.892 -3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.418 -3.419 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.976 -4.141 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.313 -2.525 -4.708 1.00 0.00 H new ATOM 1034 N ILE A 64 3.874 -1.762 2.037 1.00 0.00 N ATOM 1035 CA ILE A 64 4.643 -0.592 2.561 1.00 0.00 C ATOM 1036 C ILE A 64 5.909 -1.064 3.293 1.00 0.00 C ATOM 1037 O ILE A 64 7.009 -0.658 2.972 1.00 0.00 O ATOM 1038 CB ILE A 64 3.731 0.210 3.527 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.814 1.171 2.735 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.574 1.023 4.522 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.629 0.403 2.159 1.00 0.00 C ATOM 0 H ILE A 64 2.903 -1.812 2.346 1.00 0.00 H new ATOM 0 HA ILE A 64 4.952 0.044 1.731 1.00 0.00 H new ATOM 0 HB ILE A 64 3.118 -0.505 4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.459 1.969 3.388 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.377 1.644 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.915 1.578 5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.198 0.348 5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.208 1.721 3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.988 1.087 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.992 -0.378 1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.059 -0.049 2.971 1.00 0.00 H new ATOM 1053 N ALA A 65 5.765 -1.896 4.281 1.00 0.00 N ATOM 1054 CA ALA A 65 6.958 -2.365 5.039 1.00 0.00 C ATOM 1055 C ALA A 65 7.945 -3.061 4.099 1.00 0.00 C ATOM 1056 O ALA A 65 9.144 -2.891 4.203 1.00 0.00 O ATOM 1057 CB ALA A 65 6.505 -3.349 6.117 1.00 0.00 C ATOM 0 H ALA A 65 4.872 -2.274 4.599 1.00 0.00 H new ATOM 0 HA ALA A 65 7.453 -1.508 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.372 -3.699 6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.811 -2.852 6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.009 -4.199 5.648 1.00 0.00 H new ATOM 1063 N GLU A 66 7.452 -3.861 3.201 1.00 0.00 N ATOM 1064 CA GLU A 66 8.357 -4.595 2.273 1.00 0.00 C ATOM 1065 C GLU A 66 8.924 -3.665 1.186 1.00 0.00 C ATOM 1066 O GLU A 66 9.996 -3.900 0.667 1.00 0.00 O ATOM 1067 CB GLU A 66 7.573 -5.731 1.620 1.00 0.00 C ATOM 1068 CG GLU A 66 7.094 -6.701 2.705 1.00 0.00 C ATOM 1069 CD GLU A 66 6.032 -7.638 2.127 1.00 0.00 C ATOM 1070 OE1 GLU A 66 5.205 -7.165 1.364 1.00 0.00 O ATOM 1071 OE2 GLU A 66 6.060 -8.811 2.461 1.00 0.00 O ATOM 0 H GLU A 66 6.457 -4.041 3.067 1.00 0.00 H new ATOM 0 HA GLU A 66 9.198 -4.989 2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.721 -5.332 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.201 -6.254 0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.935 -7.280 3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.683 -6.145 3.547 1.00 0.00 H new ATOM 1078 N LEU A 67 8.215 -2.631 0.810 1.00 0.00 N ATOM 1079 CA LEU A 67 8.734 -1.729 -0.269 1.00 0.00 C ATOM 1080 C LEU A 67 9.937 -0.906 0.213 1.00 0.00 C ATOM 1081 O LEU A 67 10.967 -0.887 -0.421 1.00 0.00 O ATOM 1082 CB LEU A 67 7.618 -0.775 -0.731 1.00 0.00 C ATOM 1083 CG LEU A 67 6.723 -1.461 -1.776 1.00 0.00 C ATOM 1084 CD1 LEU A 67 5.502 -0.577 -2.033 1.00 0.00 C ATOM 1085 CD2 LEU A 67 7.489 -1.676 -3.104 1.00 0.00 C ATOM 0 H LEU A 67 7.308 -2.372 1.197 1.00 0.00 H new ATOM 0 HA LEU A 67 9.060 -2.356 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.017 -0.467 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.056 0.128 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 67 6.417 -2.435 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.858 -1.052 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.949 -0.442 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.828 0.394 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.834 -2.163 -3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.812 -0.712 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.361 -2.304 -2.923 1.00 0.00 H new ATOM 1097 N GLN A 68 9.826 -0.207 1.303 1.00 0.00 N ATOM 1098 CA GLN A 68 10.985 0.617 1.748 1.00 0.00 C ATOM 1099 C GLN A 68 12.119 -0.299 2.206 1.00 0.00 C ATOM 1100 O GLN A 68 13.281 0.054 2.136 1.00 0.00 O ATOM 1101 CB GLN A 68 10.551 1.530 2.899 1.00 0.00 C ATOM 1102 CG GLN A 68 9.418 2.439 2.418 1.00 0.00 C ATOM 1103 CD GLN A 68 9.088 3.459 3.502 1.00 0.00 C ATOM 1104 OE1 GLN A 68 9.096 4.650 3.258 1.00 0.00 O ATOM 1105 NE2 GLN A 68 8.795 3.041 4.700 1.00 0.00 N ATOM 0 H GLN A 68 8.999 -0.168 1.899 1.00 0.00 H new ATOM 0 HA GLN A 68 11.337 1.230 0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 68 10.219 0.933 3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 68 11.394 2.130 3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.712 2.950 1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.535 1.844 2.183 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.788 2.042 4.904 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.572 3.713 5.434 1.00 0.00 H new ATOM 1114 N LYS A 69 11.798 -1.475 2.663 1.00 0.00 N ATOM 1115 CA LYS A 69 12.862 -2.414 3.114 1.00 0.00 C ATOM 1116 C LYS A 69 13.522 -3.096 1.901 1.00 0.00 C ATOM 1117 O LYS A 69 14.638 -3.569 1.979 1.00 0.00 O ATOM 1118 CB LYS A 69 12.229 -3.467 4.028 1.00 0.00 C ATOM 1119 CG LYS A 69 13.315 -4.350 4.655 1.00 0.00 C ATOM 1120 CD LYS A 69 12.666 -5.523 5.407 1.00 0.00 C ATOM 1121 CE LYS A 69 11.883 -5.019 6.629 1.00 0.00 C ATOM 1122 NZ LYS A 69 12.702 -4.036 7.394 1.00 0.00 N ATOM 0 H LYS A 69 10.844 -1.828 2.744 1.00 0.00 H new ATOM 0 HA LYS A 69 13.631 -1.864 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.651 -2.978 4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.534 -4.083 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.981 -4.728 3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.925 -3.761 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.997 -6.064 4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.435 -6.226 5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.951 -4.555 6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.616 -5.859 7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.314 -3.932 8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.684 -4.373 7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.681 -3.115 6.911 1.00 0.00 H new ATOM 1136 N ASP A 70 12.836 -3.167 0.783 1.00 0.00 N ATOM 1137 CA ASP A 70 13.417 -3.842 -0.423 1.00 0.00 C ATOM 1138 C ASP A 70 13.998 -2.817 -1.404 1.00 0.00 C ATOM 1139 O ASP A 70 14.771 -3.157 -2.277 1.00 0.00 O ATOM 1140 CB ASP A 70 12.304 -4.618 -1.132 1.00 0.00 C ATOM 1141 CG ASP A 70 11.872 -5.803 -0.266 1.00 0.00 C ATOM 1142 OD1 ASP A 70 12.736 -6.418 0.335 1.00 0.00 O ATOM 1143 OD2 ASP A 70 10.684 -6.075 -0.222 1.00 0.00 O ATOM 0 H ASP A 70 11.899 -2.786 0.654 1.00 0.00 H new ATOM 0 HA ASP A 70 14.217 -4.507 -0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.453 -3.963 -1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.654 -4.972 -2.102 1.00 0.00 H new ATOM 1148 N ILE A 71 13.614 -1.576 -1.292 1.00 0.00 N ATOM 1149 CA ILE A 71 14.131 -0.547 -2.249 1.00 0.00 C ATOM 1150 C ILE A 71 15.447 0.050 -1.741 1.00 0.00 C ATOM 1151 O ILE A 71 15.521 1.203 -1.369 1.00 0.00 O ATOM 1152 CB ILE A 71 13.068 0.552 -2.412 1.00 0.00 C ATOM 1153 CG1 ILE A 71 11.764 -0.074 -2.974 1.00 0.00 C ATOM 1154 CG2 ILE A 71 13.584 1.670 -3.347 1.00 0.00 C ATOM 1155 CD1 ILE A 71 11.793 -0.156 -4.506 1.00 0.00 C ATOM 0 H ILE A 71 12.968 -1.227 -0.584 1.00 0.00 H new ATOM 0 HA ILE A 71 14.329 -1.013 -3.214 1.00 0.00 H new ATOM 0 HB ILE A 71 12.859 0.998 -1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.630 -1.072 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 71 10.908 0.521 -2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.819 2.439 -3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.487 2.111 -2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.811 1.249 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.864 -0.599 -4.864 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.901 0.846 -4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 71 12.635 -0.773 -4.821 1.00 0.00 H new ATOM 1167 N HIS A 72 16.497 -0.726 -1.743 1.00 0.00 N ATOM 1168 CA HIS A 72 17.819 -0.203 -1.294 1.00 0.00 C ATOM 1169 C HIS A 72 18.929 -1.077 -1.887 1.00 0.00 C ATOM 1170 O HIS A 72 20.072 -1.005 -1.483 1.00 0.00 O ATOM 1171 CB HIS A 72 17.897 -0.201 0.242 1.00 0.00 C ATOM 1172 CG HIS A 72 17.274 1.066 0.778 1.00 0.00 C ATOM 1173 ND1 HIS A 72 16.271 1.052 1.736 1.00 0.00 N ATOM 1174 CD2 HIS A 72 17.505 2.391 0.495 1.00 0.00 C ATOM 1175 CE1 HIS A 72 15.939 2.331 1.993 1.00 0.00 C ATOM 1176 NE2 HIS A 72 16.661 3.187 1.263 1.00 0.00 N ATOM 0 H HIS A 72 16.496 -1.703 -2.037 1.00 0.00 H new ATOM 0 HA HIS A 72 17.943 0.823 -1.640 1.00 0.00 H new ATOM 0 HB2 HIS A 72 17.379 -1.072 0.644 1.00 0.00 H new ATOM 0 HB3 HIS A 72 18.936 -0.272 0.564 1.00 0.00 H new ATOM 0 HD2 HIS A 72 18.231 2.758 -0.215 1.00 0.00 H new ATOM 0 HE1 HIS A 72 15.181 2.629 2.703 1.00 0.00 H new ATOM 0 HE2 HIS A 72 16.605 4.205 1.268 1.00 0.00 H new ATOM 1184 N ASP A 73 18.599 -1.899 -2.847 1.00 0.00 N ATOM 1185 CA ASP A 73 19.633 -2.771 -3.470 1.00 0.00 C ATOM 1186 C ASP A 73 20.440 -3.475 -2.374 1.00 0.00 C ATOM 1187 O ASP A 73 21.093 -4.471 -2.615 1.00 0.00 O ATOM 1188 CB ASP A 73 20.569 -1.911 -4.323 1.00 0.00 C ATOM 1189 CG ASP A 73 21.491 -2.817 -5.142 1.00 0.00 C ATOM 1190 OD1 ASP A 73 21.045 -3.316 -6.161 1.00 0.00 O ATOM 1191 OD2 ASP A 73 22.628 -2.993 -4.737 1.00 0.00 O ATOM 0 H ASP A 73 17.658 -2.003 -3.226 1.00 0.00 H new ATOM 0 HA ASP A 73 19.150 -3.520 -4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 73 19.988 -1.271 -4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 73 21.160 -1.255 -3.684 1.00 0.00 H new TER 1196 ASP A 73