USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 573 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 180:sc=-0.00228 USER MOD Single : A 1 MET CE :methyl 152:sc= -0.357 (180deg=-1.55!) USER MOD Single : A 1 MET N :NH3+ 161:sc= -4! (180deg=-4.43!) USER MOD Single : A 2 GLN : amide:sc= -0.887 X(o=-0.89,f=-0.85) USER MOD Single : A 7 THR OG1 : rot -69:sc= -0.367 USER MOD Single : A 9 THR OG1 : rot -50:sc= 0.0125 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -106:sc= 0.247 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= -1.33 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= -0.937 (180deg=-1.38) USER MOD Single : A 29 LYS NZ :NH3+ -144:sc= -0.209 (180deg=-1.13!) USER MOD Single : A 31 GLN : amide:sc= -0.0314 K(o=-0.031,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0731 X(o=-0.073,f=-0.53) USER MOD Single : A 41 GLN : amide:sc= -9.36! C(o=-9.4!,f=-15!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.57! C(o=-2.6!,f=-3.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.496 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 50:sc= -1.22 USER MOD Single : A 60 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.69) USER MOD Single : A 62 GLN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 61:sc= 0.403 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.324 -5.636 4.285 1.00 0.00 N ATOM 2 CA MET A 1 -12.440 -4.968 5.570 1.00 0.00 C ATOM 3 C MET A 1 -11.647 -3.659 5.581 1.00 0.00 C ATOM 4 O MET A 1 -11.143 -3.226 4.546 1.00 0.00 O ATOM 5 CB MET A 1 -11.919 -5.890 6.674 1.00 0.00 C ATOM 6 CG MET A 1 -10.421 -6.154 6.506 1.00 0.00 C ATOM 7 SD MET A 1 -9.876 -7.358 7.705 1.00 0.00 S ATOM 8 CE MET A 1 -10.851 -8.765 7.199 1.00 0.00 C ATOM 0 H1 MET A 1 -12.582 -6.638 4.390 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.963 -5.184 3.600 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.344 -5.564 3.944 1.00 0.00 H new ATOM 0 HA MET A 1 -13.491 -4.736 5.744 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.105 -5.438 7.648 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.463 -6.834 6.651 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.218 -6.515 5.498 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.863 -5.226 6.631 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.327 -9.684 7.462 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.816 -8.740 7.705 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.006 -8.732 6.121 1.00 0.00 H new ATOM 18 N GLN A 2 -11.561 -3.067 6.764 1.00 0.00 N ATOM 19 CA GLN A 2 -10.838 -1.817 6.923 1.00 0.00 C ATOM 20 C GLN A 2 -9.389 -2.089 7.331 1.00 0.00 C ATOM 21 O GLN A 2 -9.105 -3.083 7.999 1.00 0.00 O ATOM 22 CB GLN A 2 -11.532 -0.908 7.940 1.00 0.00 C ATOM 23 CG GLN A 2 -10.730 0.375 8.166 1.00 0.00 C ATOM 24 CD GLN A 2 -11.312 1.190 9.323 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.052 0.936 10.487 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.114 2.179 8.937 1.00 0.00 N ATOM 0 H GLN A 2 -11.980 -3.430 7.620 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.833 -1.299 5.964 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.532 -0.658 7.587 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.651 -1.438 8.885 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.691 0.125 8.379 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.733 0.975 7.256 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.289 2.336 7.944 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.554 2.780 9.634 1.00 0.00 H new ATOM 35 N ILE A 3 -8.511 -1.190 6.913 1.00 0.00 N ATOM 36 CA ILE A 3 -7.098 -1.322 7.226 1.00 0.00 C ATOM 37 C ILE A 3 -6.503 0.066 7.470 1.00 0.00 C ATOM 38 O ILE A 3 -7.160 1.078 7.231 1.00 0.00 O ATOM 39 CB ILE A 3 -6.379 -2.116 6.134 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.227 -1.283 4.860 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.085 -3.447 5.869 1.00 0.00 C ATOM 42 CD1 ILE A 3 -7.497 -1.344 4.010 1.00 0.00 C ATOM 0 H ILE A 3 -8.750 -0.367 6.360 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.963 -1.894 8.144 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.374 -2.350 6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.010 -0.247 5.122 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.380 -1.649 4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.554 -3.992 5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.096 -4.041 6.783 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.109 -3.258 5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.362 -0.743 3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.698 -2.378 3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.338 -0.954 4.584 1.00 0.00 H new ATOM 54 N PHE A 4 -5.264 0.070 7.943 1.00 0.00 N ATOM 55 CA PHE A 4 -4.574 1.317 8.221 1.00 0.00 C ATOM 56 C PHE A 4 -3.314 1.449 7.362 1.00 0.00 C ATOM 57 O PHE A 4 -2.287 0.843 7.664 1.00 0.00 O ATOM 58 CB PHE A 4 -4.170 1.285 9.696 1.00 0.00 C ATOM 59 CG PHE A 4 -5.329 1.533 10.664 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.445 0.757 10.602 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.245 2.528 11.586 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.521 0.986 11.498 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.321 2.758 12.484 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.436 1.981 12.422 1.00 0.00 C ATOM 0 H PHE A 4 -4.721 -0.771 8.140 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.225 2.161 7.996 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.725 0.315 9.919 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.400 2.037 9.868 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.512 -0.034 9.870 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.359 3.144 11.636 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.407 0.371 11.447 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.254 3.549 13.216 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.254 2.154 13.106 1.00 0.00 H new ATOM 74 N VAL A 5 -3.434 2.246 6.311 1.00 0.00 N ATOM 75 CA VAL A 5 -2.317 2.466 5.408 1.00 0.00 C ATOM 76 C VAL A 5 -1.487 3.649 5.909 1.00 0.00 C ATOM 77 O VAL A 5 -2.037 4.655 6.355 1.00 0.00 O ATOM 78 CB VAL A 5 -2.829 2.658 3.979 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.045 4.140 3.668 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.880 2.017 2.965 1.00 0.00 C ATOM 0 H VAL A 5 -4.287 2.747 6.064 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.663 1.594 5.390 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.793 2.155 3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.409 4.248 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.778 4.554 4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.102 4.676 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.268 2.168 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.895 2.477 3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.800 0.949 3.166 1.00 0.00 H new ATOM 90 N LYS A 6 -0.174 3.491 5.817 1.00 0.00 N ATOM 91 CA LYS A 6 0.738 4.534 6.256 1.00 0.00 C ATOM 92 C LYS A 6 1.361 5.208 5.032 1.00 0.00 C ATOM 93 O LYS A 6 1.554 4.570 3.997 1.00 0.00 O ATOM 94 CB LYS A 6 1.767 3.968 7.237 1.00 0.00 C ATOM 95 CG LYS A 6 1.574 4.559 8.635 1.00 0.00 C ATOM 96 CD LYS A 6 0.448 3.842 9.382 1.00 0.00 C ATOM 97 CE LYS A 6 1.011 2.926 10.473 1.00 0.00 C ATOM 98 NZ LYS A 6 0.492 3.323 11.801 1.00 0.00 N ATOM 0 H LYS A 6 0.280 2.657 5.445 1.00 0.00 H new ATOM 0 HA LYS A 6 0.199 5.305 6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.674 2.883 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.774 4.188 6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.502 4.475 9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.344 5.622 8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.222 4.576 9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.144 3.256 8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.739 1.891 10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.100 2.976 10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.883 2.692 12.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.773 4.303 12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.546 3.253 11.803 1.00 0.00 H new ATOM 112 N THR A 7 1.658 6.490 5.189 1.00 0.00 N ATOM 113 CA THR A 7 2.256 7.257 4.109 1.00 0.00 C ATOM 114 C THR A 7 3.765 7.384 4.316 1.00 0.00 C ATOM 115 O THR A 7 4.280 7.047 5.382 1.00 0.00 O ATOM 116 CB THR A 7 1.537 8.606 4.034 1.00 0.00 C ATOM 117 OG1 THR A 7 0.165 8.281 4.244 1.00 0.00 O ATOM 118 CG2 THR A 7 1.566 9.208 2.628 1.00 0.00 C ATOM 0 H THR A 7 1.496 7.017 6.047 1.00 0.00 H new ATOM 0 HA THR A 7 2.133 6.752 3.151 1.00 0.00 H new ATOM 0 HB THR A 7 1.997 9.301 4.736 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.176 7.785 3.471 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.042 10.164 2.631 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.600 9.362 2.319 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.076 8.528 1.931 1.00 0.00 H new ATOM 126 N LEU A 8 4.434 7.872 3.282 1.00 0.00 N ATOM 127 CA LEU A 8 5.875 8.048 3.337 1.00 0.00 C ATOM 128 C LEU A 8 6.217 9.090 4.404 1.00 0.00 C ATOM 129 O LEU A 8 7.378 9.237 4.785 1.00 0.00 O ATOM 130 CB LEU A 8 6.428 8.383 1.951 1.00 0.00 C ATOM 131 CG LEU A 8 7.901 8.042 1.716 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.123 6.529 1.741 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.410 8.674 0.419 1.00 0.00 C ATOM 0 H LEU A 8 4.004 8.151 2.400 1.00 0.00 H new ATOM 0 HA LEU A 8 6.361 7.118 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.831 7.857 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.290 9.450 1.775 1.00 0.00 H new ATOM 0 HG LEU A 8 8.485 8.467 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.178 6.313 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.823 6.133 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.527 6.061 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.459 8.416 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.826 8.299 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.307 9.758 0.478 1.00 0.00 H new ATOM 145 N THR A 9 5.185 9.786 4.858 1.00 0.00 N ATOM 146 CA THR A 9 5.361 10.810 5.874 1.00 0.00 C ATOM 147 C THR A 9 4.959 10.272 7.248 1.00 0.00 C ATOM 148 O THR A 9 4.763 11.042 8.187 1.00 0.00 O ATOM 149 CB THR A 9 4.562 12.043 5.445 1.00 0.00 C ATOM 150 OG1 THR A 9 5.262 13.133 6.038 1.00 0.00 O ATOM 151 CG2 THR A 9 3.176 12.095 6.093 1.00 0.00 C ATOM 0 H THR A 9 4.224 9.661 4.541 1.00 0.00 H new ATOM 0 HA THR A 9 6.408 11.100 5.968 1.00 0.00 H new ATOM 0 HB THR A 9 4.457 12.049 4.360 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.411 12.948 6.989 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.650 12.988 5.756 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.607 11.210 5.808 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.282 12.124 7.177 1.00 0.00 H new ATOM 159 N GLY A 10 4.850 8.954 7.323 1.00 0.00 N ATOM 160 CA GLY A 10 4.475 8.304 8.568 1.00 0.00 C ATOM 161 C GLY A 10 3.042 8.664 8.965 1.00 0.00 C ATOM 162 O GLY A 10 2.641 8.463 10.111 1.00 0.00 O ATOM 0 H GLY A 10 5.015 8.318 6.542 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.565 7.223 8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.162 8.603 9.360 1.00 0.00 H new ATOM 166 N LYS A 11 2.308 9.192 7.996 1.00 0.00 N ATOM 167 CA LYS A 11 0.928 9.582 8.230 1.00 0.00 C ATOM 168 C LYS A 11 0.054 8.328 8.306 1.00 0.00 C ATOM 169 O LYS A 11 0.313 7.343 7.617 1.00 0.00 O ATOM 170 CB LYS A 11 0.468 10.588 7.172 1.00 0.00 C ATOM 171 CG LYS A 11 -0.977 11.023 7.420 1.00 0.00 C ATOM 172 CD LYS A 11 -1.085 12.547 7.503 1.00 0.00 C ATOM 173 CE LYS A 11 -2.511 12.977 7.848 1.00 0.00 C ATOM 174 NZ LYS A 11 -2.666 14.440 7.684 1.00 0.00 N ATOM 0 H LYS A 11 2.643 9.359 7.047 1.00 0.00 H new ATOM 0 HA LYS A 11 0.835 10.095 9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.122 11.460 7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.552 10.143 6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.615 10.653 6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.340 10.578 8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.395 12.923 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.788 12.989 6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.220 12.456 7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.744 12.694 8.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.640 14.715 7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.003 14.932 8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.464 14.702 6.698 1.00 0.00 H new ATOM 188 N THR A 12 -0.964 8.406 9.150 1.00 0.00 N ATOM 189 CA THR A 12 -1.878 7.291 9.326 1.00 0.00 C ATOM 190 C THR A 12 -3.192 7.555 8.587 1.00 0.00 C ATOM 191 O THR A 12 -3.934 8.468 8.944 1.00 0.00 O ATOM 192 CB THR A 12 -2.061 7.059 10.828 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.786 6.600 11.265 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.002 5.892 11.131 1.00 0.00 C ATOM 0 H THR A 12 -1.176 9.225 9.720 1.00 0.00 H new ATOM 0 HA THR A 12 -1.474 6.378 8.889 1.00 0.00 H new ATOM 0 HB THR A 12 -2.449 7.966 11.291 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.814 6.426 12.229 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.096 5.771 12.210 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.983 6.095 10.701 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.598 4.977 10.698 1.00 0.00 H new ATOM 202 N ILE A 13 -3.438 6.741 7.572 1.00 0.00 N ATOM 203 CA ILE A 13 -4.648 6.875 6.780 1.00 0.00 C ATOM 204 C ILE A 13 -5.396 5.540 6.767 1.00 0.00 C ATOM 205 O ILE A 13 -4.873 4.537 6.285 1.00 0.00 O ATOM 206 CB ILE A 13 -4.320 7.409 5.385 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.623 8.769 5.468 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.572 7.459 4.507 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.927 9.109 4.149 1.00 0.00 C ATOM 0 H ILE A 13 -2.819 5.985 7.279 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.316 7.610 7.229 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.623 6.718 4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.353 9.542 5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.892 8.759 6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.310 7.842 3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.987 6.456 4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.312 8.114 4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.440 10.080 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.181 8.347 3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.664 9.142 3.347 1.00 0.00 H new ATOM 221 N THR A 14 -6.607 5.572 7.303 1.00 0.00 N ATOM 222 CA THR A 14 -7.432 4.377 7.360 1.00 0.00 C ATOM 223 C THR A 14 -8.399 4.339 6.175 1.00 0.00 C ATOM 224 O THR A 14 -8.880 5.380 5.729 1.00 0.00 O ATOM 225 CB THR A 14 -8.135 4.351 8.719 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.091 4.600 9.655 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.643 2.956 9.089 1.00 0.00 C ATOM 0 H THR A 14 -7.037 6.407 7.702 1.00 0.00 H new ATOM 0 HA THR A 14 -6.827 3.475 7.274 1.00 0.00 H new ATOM 0 HB THR A 14 -8.971 5.050 8.708 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.870 3.770 10.127 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.133 2.994 10.062 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.355 2.617 8.337 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.803 2.263 9.133 1.00 0.00 H new ATOM 235 N LEU A 15 -8.654 3.131 5.698 1.00 0.00 N ATOM 236 CA LEU A 15 -9.555 2.944 4.573 1.00 0.00 C ATOM 237 C LEU A 15 -10.450 1.732 4.838 1.00 0.00 C ATOM 238 O LEU A 15 -9.962 0.661 5.194 1.00 0.00 O ATOM 239 CB LEU A 15 -8.766 2.852 3.265 1.00 0.00 C ATOM 240 CG LEU A 15 -9.350 3.616 2.075 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.660 2.981 1.606 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.519 5.101 2.406 1.00 0.00 C ATOM 0 H LEU A 15 -8.252 2.270 6.070 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.211 3.807 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.756 3.219 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.679 1.801 2.989 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.645 3.549 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.054 3.543 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.477 1.950 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.384 2.997 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.936 5.621 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.193 5.210 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.549 5.531 2.655 1.00 0.00 H new ATOM 254 N GLU A 16 -11.745 1.941 4.652 1.00 0.00 N ATOM 255 CA GLU A 16 -12.713 0.879 4.865 1.00 0.00 C ATOM 256 C GLU A 16 -13.076 0.216 3.536 1.00 0.00 C ATOM 257 O GLU A 16 -13.770 0.807 2.711 1.00 0.00 O ATOM 258 CB GLU A 16 -13.962 1.410 5.572 1.00 0.00 C ATOM 259 CG GLU A 16 -14.442 2.713 4.932 1.00 0.00 C ATOM 260 CD GLU A 16 -14.015 3.923 5.768 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.814 4.260 5.706 1.00 0.00 O ATOM 262 OE2 GLU A 16 -14.902 4.483 6.448 1.00 0.00 O ATOM 0 H GLU A 16 -12.146 2.831 4.356 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.261 0.127 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.755 0.664 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.744 1.578 6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.034 2.800 3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.528 2.697 4.836 1.00 0.00 H new ATOM 269 N VAL A 17 -12.589 -1.006 3.368 1.00 0.00 N ATOM 270 CA VAL A 17 -12.853 -1.757 2.152 1.00 0.00 C ATOM 271 C VAL A 17 -13.334 -3.162 2.519 1.00 0.00 C ATOM 272 O VAL A 17 -13.475 -3.485 3.698 1.00 0.00 O ATOM 273 CB VAL A 17 -11.609 -1.763 1.262 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.311 -0.362 0.724 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.402 -2.332 2.011 1.00 0.00 C ATOM 0 H VAL A 17 -12.013 -1.494 4.054 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.647 -1.284 1.575 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.811 -2.412 0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.422 -0.395 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.159 -0.010 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.140 0.319 1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.531 -2.325 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.199 -1.722 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.615 -3.355 2.320 1.00 0.00 H new ATOM 285 N GLU A 18 -13.571 -3.959 1.489 1.00 0.00 N ATOM 286 CA GLU A 18 -14.033 -5.322 1.688 1.00 0.00 C ATOM 287 C GLU A 18 -12.911 -6.315 1.377 1.00 0.00 C ATOM 288 O GLU A 18 -11.958 -5.979 0.675 1.00 0.00 O ATOM 289 CB GLU A 18 -15.271 -5.612 0.837 1.00 0.00 C ATOM 290 CG GLU A 18 -16.553 -5.399 1.645 1.00 0.00 C ATOM 291 CD GLU A 18 -17.433 -6.651 1.619 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.740 -7.105 0.496 1.00 0.00 O ATOM 293 OE2 GLU A 18 -17.778 -7.124 2.722 1.00 0.00 O ATOM 0 H GLU A 18 -13.452 -3.687 0.513 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.316 -5.438 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.276 -4.962 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.233 -6.638 0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.300 -5.149 2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.107 -4.553 1.239 1.00 0.00 H new ATOM 300 N PRO A 19 -13.063 -7.547 1.931 1.00 0.00 N ATOM 301 CA PRO A 19 -12.073 -8.590 1.719 1.00 0.00 C ATOM 302 C PRO A 19 -12.182 -9.171 0.308 1.00 0.00 C ATOM 303 O PRO A 19 -11.272 -9.856 -0.157 1.00 0.00 O ATOM 304 CB PRO A 19 -12.346 -9.617 2.806 1.00 0.00 C ATOM 305 CG PRO A 19 -13.760 -9.343 3.293 1.00 0.00 C ATOM 306 CD PRO A 19 -14.178 -7.980 2.768 1.00 0.00 C ATOM 0 HA PRO A 19 -11.050 -8.219 1.786 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.257 -10.631 2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.628 -9.524 3.620 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.442 -10.115 2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.799 -9.361 4.382 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.103 -8.043 2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.356 -7.279 3.584 1.00 0.00 H new ATOM 314 N SER A 20 -13.303 -8.877 -0.334 1.00 0.00 N ATOM 315 CA SER A 20 -13.542 -9.362 -1.683 1.00 0.00 C ATOM 316 C SER A 20 -12.993 -8.363 -2.703 1.00 0.00 C ATOM 317 O SER A 20 -12.697 -8.729 -3.840 1.00 0.00 O ATOM 318 CB SER A 20 -15.034 -9.602 -1.926 1.00 0.00 C ATOM 319 OG SER A 20 -15.261 -10.676 -2.834 1.00 0.00 O ATOM 0 H SER A 20 -14.056 -8.309 0.055 1.00 0.00 H new ATOM 0 HA SER A 20 -13.024 -10.314 -1.801 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.525 -9.819 -0.978 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.488 -8.693 -2.319 1.00 0.00 H new ATOM 0 HG SER A 20 -16.225 -10.798 -2.962 1.00 0.00 H new ATOM 325 N ASP A 21 -12.874 -7.119 -2.262 1.00 0.00 N ATOM 326 CA ASP A 21 -12.365 -6.064 -3.122 1.00 0.00 C ATOM 327 C ASP A 21 -10.907 -6.361 -3.477 1.00 0.00 C ATOM 328 O ASP A 21 -10.170 -6.926 -2.671 1.00 0.00 O ATOM 329 CB ASP A 21 -12.413 -4.707 -2.417 1.00 0.00 C ATOM 330 CG ASP A 21 -13.763 -4.351 -1.791 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.755 -5.010 -2.169 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.771 -3.428 -0.948 1.00 0.00 O ATOM 0 H ASP A 21 -13.122 -6.818 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.988 -6.028 -4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.652 -4.693 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.147 -3.932 -3.135 1.00 0.00 H new ATOM 337 N THR A 22 -10.534 -5.966 -4.686 1.00 0.00 N ATOM 338 CA THR A 22 -9.177 -6.184 -5.159 1.00 0.00 C ATOM 339 C THR A 22 -8.264 -5.044 -4.700 1.00 0.00 C ATOM 340 O THR A 22 -8.737 -4.045 -4.159 1.00 0.00 O ATOM 341 CB THR A 22 -9.226 -6.347 -6.679 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.823 -5.138 -7.139 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.206 -7.437 -7.119 1.00 0.00 C ATOM 0 H THR A 22 -11.148 -5.496 -5.352 1.00 0.00 H new ATOM 0 HA THR A 22 -8.751 -7.093 -4.734 1.00 0.00 H new ATOM 0 HB THR A 22 -8.229 -6.583 -7.051 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.038 -5.221 -8.092 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.203 -7.512 -8.206 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.905 -8.392 -6.688 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.209 -7.184 -6.776 1.00 0.00 H new ATOM 351 N ILE A 23 -6.974 -5.233 -4.932 1.00 0.00 N ATOM 352 CA ILE A 23 -5.990 -4.234 -4.549 1.00 0.00 C ATOM 353 C ILE A 23 -6.282 -2.928 -5.291 1.00 0.00 C ATOM 354 O ILE A 23 -6.242 -1.851 -4.697 1.00 0.00 O ATOM 355 CB ILE A 23 -4.573 -4.765 -4.772 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.201 -5.799 -3.707 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.562 -3.618 -4.836 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.221 -5.177 -2.309 1.00 0.00 C ATOM 0 H ILE A 23 -6.587 -6.063 -5.381 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.060 -4.018 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.546 -5.272 -5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.899 -6.635 -3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.210 -6.201 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.562 -4.023 -4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.819 -2.952 -5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.583 -3.062 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.953 -5.933 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.504 -4.357 -2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.220 -4.798 -2.094 1.00 0.00 H new ATOM 370 N GLU A 24 -6.569 -3.065 -6.576 1.00 0.00 N ATOM 371 CA GLU A 24 -6.867 -1.910 -7.405 1.00 0.00 C ATOM 372 C GLU A 24 -8.106 -1.185 -6.878 1.00 0.00 C ATOM 373 O GLU A 24 -8.217 0.034 -7.004 1.00 0.00 O ATOM 374 CB GLU A 24 -7.050 -2.317 -8.868 1.00 0.00 C ATOM 375 CG GLU A 24 -8.148 -3.372 -9.010 1.00 0.00 C ATOM 376 CD GLU A 24 -9.179 -2.954 -10.061 1.00 0.00 C ATOM 377 OE1 GLU A 24 -9.822 -1.905 -9.839 1.00 0.00 O ATOM 378 OE2 GLU A 24 -9.299 -3.691 -11.063 1.00 0.00 O ATOM 0 H GLU A 24 -6.602 -3.960 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.021 -1.225 -7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.304 -1.440 -9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.111 -2.709 -9.260 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.705 -4.328 -9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.642 -3.519 -8.050 1.00 0.00 H new ATOM 385 N ASN A 25 -9.008 -1.965 -6.299 1.00 0.00 N ATOM 386 CA ASN A 25 -10.235 -1.412 -5.753 1.00 0.00 C ATOM 387 C ASN A 25 -9.904 -0.558 -4.527 1.00 0.00 C ATOM 388 O ASN A 25 -10.355 0.581 -4.420 1.00 0.00 O ATOM 389 CB ASN A 25 -11.191 -2.522 -5.311 1.00 0.00 C ATOM 390 CG ASN A 25 -12.646 -2.059 -5.394 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.357 -2.326 -6.349 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.048 -1.351 -4.342 1.00 0.00 N ATOM 0 H ASN A 25 -8.913 -2.975 -6.197 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.710 -0.815 -6.531 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.049 -3.401 -5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.959 -2.821 -4.289 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.003 -0.996 -4.301 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.401 -1.164 -3.576 1.00 0.00 H new ATOM 399 N VAL A 26 -9.117 -1.141 -3.635 1.00 0.00 N ATOM 400 CA VAL A 26 -8.721 -0.448 -2.420 1.00 0.00 C ATOM 401 C VAL A 26 -7.881 0.777 -2.790 1.00 0.00 C ATOM 402 O VAL A 26 -8.008 1.831 -2.167 1.00 0.00 O ATOM 403 CB VAL A 26 -7.991 -1.412 -1.482 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.601 -0.716 -0.177 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.839 -2.656 -1.208 1.00 0.00 C ATOM 0 H VAL A 26 -8.743 -2.085 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.598 -0.091 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.075 -1.733 -1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.084 -1.423 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.943 0.125 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.498 -0.353 0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.298 -3.325 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.779 -2.360 -0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.045 -3.170 -2.147 1.00 0.00 H new ATOM 415 N LYS A 27 -7.043 0.597 -3.800 1.00 0.00 N ATOM 416 CA LYS A 27 -6.183 1.675 -4.259 1.00 0.00 C ATOM 417 C LYS A 27 -7.044 2.787 -4.862 1.00 0.00 C ATOM 418 O LYS A 27 -6.790 3.968 -4.629 1.00 0.00 O ATOM 419 CB LYS A 27 -5.115 1.138 -5.214 1.00 0.00 C ATOM 420 CG LYS A 27 -3.959 0.499 -4.441 1.00 0.00 C ATOM 421 CD LYS A 27 -2.734 0.315 -5.339 1.00 0.00 C ATOM 422 CE LYS A 27 -2.973 -0.787 -6.373 1.00 0.00 C ATOM 423 NZ LYS A 27 -3.146 -0.202 -7.721 1.00 0.00 N ATOM 0 H LYS A 27 -6.941 -0.278 -4.313 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.639 2.111 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.559 0.403 -5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.737 1.950 -5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.698 1.125 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.272 -0.467 -4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.507 1.252 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.866 0.064 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.132 -1.480 -6.376 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.859 -1.362 -6.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.003 -0.939 -8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.106 0.187 -7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.450 0.558 -7.861 1.00 0.00 H new ATOM 437 N ALA A 28 -8.043 2.370 -5.624 1.00 0.00 N ATOM 438 CA ALA A 28 -8.942 3.316 -6.262 1.00 0.00 C ATOM 439 C ALA A 28 -9.639 4.155 -5.189 1.00 0.00 C ATOM 440 O ALA A 28 -9.807 5.363 -5.351 1.00 0.00 O ATOM 441 CB ALA A 28 -9.936 2.560 -7.147 1.00 0.00 C ATOM 0 H ALA A 28 -8.250 1.390 -5.814 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.386 3.998 -6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.610 3.270 -7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.393 2.004 -7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.514 1.867 -6.535 1.00 0.00 H new ATOM 447 N LYS A 29 -10.026 3.481 -4.115 1.00 0.00 N ATOM 448 CA LYS A 29 -10.701 4.149 -3.015 1.00 0.00 C ATOM 449 C LYS A 29 -9.750 5.168 -2.384 1.00 0.00 C ATOM 450 O LYS A 29 -10.142 6.302 -2.112 1.00 0.00 O ATOM 451 CB LYS A 29 -11.249 3.123 -2.022 1.00 0.00 C ATOM 452 CG LYS A 29 -12.774 3.216 -1.925 1.00 0.00 C ATOM 453 CD LYS A 29 -13.281 2.578 -0.630 1.00 0.00 C ATOM 454 CE LYS A 29 -14.389 3.424 0.000 1.00 0.00 C ATOM 455 NZ LYS A 29 -13.899 4.792 0.282 1.00 0.00 N ATOM 0 H LYS A 29 -9.885 2.479 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.567 4.702 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.961 2.119 -2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.807 3.290 -1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.081 4.261 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.228 2.718 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.657 1.576 -0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.456 2.470 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.246 3.470 -0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.732 2.956 0.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.326 5.139 1.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.864 4.776 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.163 5.423 -0.501 1.00 0.00 H new ATOM 469 N ILE A 30 -8.519 4.729 -2.170 1.00 0.00 N ATOM 470 CA ILE A 30 -7.510 5.588 -1.575 1.00 0.00 C ATOM 471 C ILE A 30 -7.231 6.764 -2.513 1.00 0.00 C ATOM 472 O ILE A 30 -6.972 7.877 -2.059 1.00 0.00 O ATOM 473 CB ILE A 30 -6.262 4.780 -1.215 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.609 3.626 -0.272 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.171 5.684 -0.635 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.645 2.452 -0.462 1.00 0.00 C ATOM 0 H ILE A 30 -8.197 3.788 -2.398 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.872 6.007 -0.636 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.865 4.341 -2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.568 3.971 0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.631 3.295 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.295 5.084 -0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.897 6.441 -1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.543 6.171 0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.914 1.646 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.706 2.093 -1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.627 2.780 -0.252 1.00 0.00 H new ATOM 488 N GLN A 31 -7.294 6.476 -3.805 1.00 0.00 N ATOM 489 CA GLN A 31 -7.051 7.496 -4.811 1.00 0.00 C ATOM 490 C GLN A 31 -8.139 8.570 -4.751 1.00 0.00 C ATOM 491 O GLN A 31 -7.844 9.747 -4.555 1.00 0.00 O ATOM 492 CB GLN A 31 -6.966 6.879 -6.208 1.00 0.00 C ATOM 493 CG GLN A 31 -6.770 7.958 -7.274 1.00 0.00 C ATOM 494 CD GLN A 31 -7.319 7.500 -8.627 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.636 6.341 -8.837 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.413 8.472 -9.530 1.00 0.00 N ATOM 0 H GLN A 31 -7.510 5.551 -4.178 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.091 7.967 -4.599 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.139 6.170 -6.247 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.877 6.317 -6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.273 8.875 -6.965 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.710 8.192 -7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.130 9.422 -9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.768 8.268 -10.464 1.00 0.00 H new ATOM 505 N ASP A 32 -9.375 8.125 -4.925 1.00 0.00 N ATOM 506 CA ASP A 32 -10.508 9.033 -4.894 1.00 0.00 C ATOM 507 C ASP A 32 -10.486 9.825 -3.585 1.00 0.00 C ATOM 508 O ASP A 32 -10.918 10.977 -3.544 1.00 0.00 O ATOM 509 CB ASP A 32 -11.831 8.267 -4.958 1.00 0.00 C ATOM 510 CG ASP A 32 -12.894 8.887 -5.866 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.597 9.957 -6.440 1.00 0.00 O ATOM 512 OD2 ASP A 32 -13.981 8.278 -5.965 1.00 0.00 O ATOM 0 H ASP A 32 -9.616 7.147 -5.088 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.432 9.695 -5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.630 7.252 -5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.237 8.189 -3.950 1.00 0.00 H new ATOM 517 N LYS A 33 -9.977 9.178 -2.547 1.00 0.00 N ATOM 518 CA LYS A 33 -9.891 9.808 -1.241 1.00 0.00 C ATOM 519 C LYS A 33 -8.677 10.738 -1.205 1.00 0.00 C ATOM 520 O LYS A 33 -8.823 11.958 -1.269 1.00 0.00 O ATOM 521 CB LYS A 33 -9.887 8.750 -0.135 1.00 0.00 C ATOM 522 CG LYS A 33 -10.748 9.192 1.050 1.00 0.00 C ATOM 523 CD LYS A 33 -11.842 8.164 1.348 1.00 0.00 C ATOM 524 CE LYS A 33 -12.041 7.997 2.855 1.00 0.00 C ATOM 525 NZ LYS A 33 -13.291 8.660 3.289 1.00 0.00 N ATOM 0 H LYS A 33 -9.620 8.223 -2.584 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.771 10.425 -1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.262 7.805 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.865 8.573 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.120 9.325 1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.202 10.159 0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.778 8.479 0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.575 7.205 0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.078 6.937 3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.192 8.423 3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.411 8.537 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.242 9.674 3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.100 8.235 2.792 1.00 0.00 H new ATOM 539 N GLU A 34 -7.507 10.127 -1.105 1.00 0.00 N ATOM 540 CA GLU A 34 -6.267 10.885 -1.061 1.00 0.00 C ATOM 541 C GLU A 34 -6.077 11.666 -2.363 1.00 0.00 C ATOM 542 O GLU A 34 -6.055 12.896 -2.355 1.00 0.00 O ATOM 543 CB GLU A 34 -5.073 9.968 -0.793 1.00 0.00 C ATOM 544 CG GLU A 34 -4.700 9.973 0.692 1.00 0.00 C ATOM 545 CD GLU A 34 -4.237 11.362 1.136 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.440 11.962 0.383 1.00 0.00 O ATOM 547 OE2 GLU A 34 -4.691 11.793 2.219 1.00 0.00 O ATOM 0 H GLU A 34 -7.390 9.115 -1.053 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.328 11.597 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.312 8.952 -1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.219 10.294 -1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.559 9.665 1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.908 9.246 0.874 1.00 0.00 H new ATOM 554 N GLY A 35 -5.944 10.921 -3.450 1.00 0.00 N ATOM 555 CA GLY A 35 -5.757 11.528 -4.755 1.00 0.00 C ATOM 556 C GLY A 35 -4.541 10.932 -5.468 1.00 0.00 C ATOM 557 O GLY A 35 -4.233 11.307 -6.598 1.00 0.00 O ATOM 0 H GLY A 35 -5.962 9.901 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.650 11.376 -5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.626 12.604 -4.644 1.00 0.00 H new ATOM 561 N ILE A 36 -3.883 10.012 -4.778 1.00 0.00 N ATOM 562 CA ILE A 36 -2.708 9.360 -5.330 1.00 0.00 C ATOM 563 C ILE A 36 -3.147 8.278 -6.318 1.00 0.00 C ATOM 564 O ILE A 36 -4.083 7.527 -6.045 1.00 0.00 O ATOM 565 CB ILE A 36 -1.807 8.840 -4.209 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.191 9.997 -3.420 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.741 7.890 -4.758 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.128 9.671 -1.926 1.00 0.00 C ATOM 0 H ILE A 36 -4.142 9.703 -3.841 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.103 10.075 -5.888 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.422 8.267 -3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.188 10.203 -3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.780 10.901 -3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.114 7.535 -3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.224 7.040 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.124 8.417 -5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.686 10.510 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.135 9.490 -1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.518 8.781 -1.773 1.00 0.00 H new ATOM 580 N PRO A 37 -2.433 8.230 -7.475 1.00 0.00 N ATOM 581 CA PRO A 37 -2.740 7.253 -8.503 1.00 0.00 C ATOM 582 C PRO A 37 -2.248 5.861 -8.102 1.00 0.00 C ATOM 583 O PRO A 37 -1.338 5.732 -7.285 1.00 0.00 O ATOM 584 CB PRO A 37 -2.068 7.780 -9.761 1.00 0.00 C ATOM 585 CG PRO A 37 -1.029 8.782 -9.289 1.00 0.00 C ATOM 586 CD PRO A 37 -1.319 9.104 -7.831 1.00 0.00 C ATOM 0 HA PRO A 37 -3.812 7.132 -8.660 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.603 6.971 -10.324 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.794 8.252 -10.423 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.025 8.370 -9.397 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.069 9.687 -9.895 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.449 8.913 -7.202 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.582 10.154 -7.702 1.00 0.00 H new ATOM 594 N PRO A 38 -2.887 4.826 -8.712 1.00 0.00 N ATOM 595 CA PRO A 38 -2.523 3.449 -8.426 1.00 0.00 C ATOM 596 C PRO A 38 -1.204 3.078 -9.105 1.00 0.00 C ATOM 597 O PRO A 38 -0.604 2.052 -8.787 1.00 0.00 O ATOM 598 CB PRO A 38 -3.698 2.621 -8.919 1.00 0.00 C ATOM 599 CG PRO A 38 -4.466 3.518 -9.879 1.00 0.00 C ATOM 600 CD PRO A 38 -3.969 4.941 -9.685 1.00 0.00 C ATOM 0 HA PRO A 38 -2.346 3.273 -7.365 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.355 1.716 -9.420 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.330 2.306 -8.089 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.311 3.196 -10.909 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.537 3.458 -9.684 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.614 5.368 -10.623 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.763 5.591 -9.319 1.00 0.00 H new ATOM 608 N ASP A 39 -0.789 3.933 -10.028 1.00 0.00 N ATOM 609 CA ASP A 39 0.449 3.709 -10.755 1.00 0.00 C ATOM 610 C ASP A 39 1.634 3.891 -9.805 1.00 0.00 C ATOM 611 O ASP A 39 2.515 3.035 -9.735 1.00 0.00 O ATOM 612 CB ASP A 39 0.603 4.711 -11.901 1.00 0.00 C ATOM 613 CG ASP A 39 -0.077 4.306 -13.210 1.00 0.00 C ATOM 614 OD1 ASP A 39 -1.022 3.491 -13.130 1.00 0.00 O ATOM 615 OD2 ASP A 39 0.361 4.821 -14.261 1.00 0.00 O ATOM 0 H ASP A 39 -1.289 4.783 -10.289 1.00 0.00 H new ATOM 0 HA ASP A 39 0.424 2.698 -11.161 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.198 5.671 -11.581 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.666 4.861 -12.092 1.00 0.00 H new ATOM 620 N GLN A 40 1.616 5.010 -9.096 1.00 0.00 N ATOM 621 CA GLN A 40 2.679 5.316 -8.153 1.00 0.00 C ATOM 622 C GLN A 40 2.326 4.779 -6.765 1.00 0.00 C ATOM 623 O GLN A 40 2.854 5.251 -5.760 1.00 0.00 O ATOM 624 CB GLN A 40 2.954 6.820 -8.105 1.00 0.00 C ATOM 625 CG GLN A 40 1.896 7.545 -7.272 1.00 0.00 C ATOM 626 CD GLN A 40 2.546 8.516 -6.284 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.395 8.409 -5.079 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.276 9.466 -6.862 1.00 0.00 N ATOM 0 H GLN A 40 0.882 5.716 -9.155 1.00 0.00 H new ATOM 0 HA GLN A 40 3.591 4.824 -8.491 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.942 6.999 -7.680 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.964 7.224 -9.117 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.220 8.090 -7.931 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.294 6.817 -6.729 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.360 9.497 -7.878 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.752 10.163 -6.289 1.00 0.00 H new ATOM 637 N GLN A 41 1.435 3.798 -6.753 1.00 0.00 N ATOM 638 CA GLN A 41 1.005 3.191 -5.505 1.00 0.00 C ATOM 639 C GLN A 41 1.850 1.953 -5.198 1.00 0.00 C ATOM 640 O GLN A 41 1.988 1.068 -6.041 1.00 0.00 O ATOM 641 CB GLN A 41 -0.484 2.843 -5.548 1.00 0.00 C ATOM 642 CG GLN A 41 -1.335 4.004 -5.032 1.00 0.00 C ATOM 643 CD GLN A 41 -1.716 3.796 -3.565 1.00 0.00 C ATOM 644 OE1 GLN A 41 -1.204 2.923 -2.882 1.00 0.00 O ATOM 645 NE2 GLN A 41 -2.641 4.642 -3.121 1.00 0.00 N ATOM 0 H GLN A 41 0.999 3.408 -7.589 1.00 0.00 H new ATOM 0 HA GLN A 41 1.151 3.914 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.775 2.601 -6.570 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.671 1.955 -4.945 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.784 4.939 -5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.238 4.095 -5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.028 5.349 -3.746 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.964 4.584 -2.155 1.00 0.00 H new ATOM 654 N ARG A 42 2.391 1.930 -3.989 1.00 0.00 N ATOM 655 CA ARG A 42 3.218 0.815 -3.561 1.00 0.00 C ATOM 656 C ARG A 42 2.813 0.361 -2.157 1.00 0.00 C ATOM 657 O ARG A 42 3.304 0.892 -1.162 1.00 0.00 O ATOM 658 CB ARG A 42 4.700 1.198 -3.557 1.00 0.00 C ATOM 659 CG ARG A 42 5.578 -0.007 -3.904 1.00 0.00 C ATOM 660 CD ARG A 42 6.665 0.379 -4.909 1.00 0.00 C ATOM 661 NE ARG A 42 7.191 -0.833 -5.575 1.00 0.00 N ATOM 662 CZ ARG A 42 8.088 -0.813 -6.571 1.00 0.00 C ATOM 663 NH1 ARG A 42 8.563 0.356 -7.022 1.00 0.00 N ATOM 664 NH2 ARG A 42 8.509 -1.963 -7.117 1.00 0.00 N ATOM 0 H ARG A 42 2.273 2.666 -3.292 1.00 0.00 H new ATOM 0 HA ARG A 42 3.066 -0.000 -4.268 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.874 1.999 -4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.977 1.584 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.039 -0.399 -2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.961 -0.804 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.258 1.065 -5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.473 0.904 -4.400 1.00 0.00 H new ATOM 0 HE ARG A 42 6.850 -1.740 -5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.242 1.231 -6.607 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.246 0.371 -7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.147 -2.853 -6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.191 -1.948 -7.875 1.00 0.00 H new ATOM 678 N LEU A 43 1.918 -0.617 -2.122 1.00 0.00 N ATOM 679 CA LEU A 43 1.441 -1.148 -0.856 1.00 0.00 C ATOM 680 C LEU A 43 2.225 -2.415 -0.512 1.00 0.00 C ATOM 681 O LEU A 43 2.168 -3.403 -1.243 1.00 0.00 O ATOM 682 CB LEU A 43 -0.074 -1.355 -0.901 1.00 0.00 C ATOM 683 CG LEU A 43 -0.873 -0.305 -1.676 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.359 -0.664 -1.714 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.636 1.095 -1.106 1.00 0.00 C ATOM 0 H LEU A 43 1.512 -1.055 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 43 1.619 -0.435 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.274 -2.332 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.447 -1.384 0.123 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.518 -0.298 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.903 0.099 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.488 -1.630 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.747 -0.717 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.215 1.822 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.947 1.120 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.424 1.341 -1.175 1.00 0.00 H new ATOM 697 N ILE A 44 2.939 -2.346 0.602 1.00 0.00 N ATOM 698 CA ILE A 44 3.733 -3.477 1.053 1.00 0.00 C ATOM 699 C ILE A 44 3.029 -4.154 2.230 1.00 0.00 C ATOM 700 O ILE A 44 2.470 -3.479 3.094 1.00 0.00 O ATOM 701 CB ILE A 44 5.165 -3.035 1.365 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.808 -2.363 0.150 1.00 0.00 C ATOM 703 CG2 ILE A 44 6.001 -4.208 1.880 1.00 0.00 C ATOM 704 CD1 ILE A 44 5.766 -0.838 0.281 1.00 0.00 C ATOM 0 H ILE A 44 2.984 -1.525 1.206 1.00 0.00 H new ATOM 0 HA ILE A 44 3.818 -4.222 0.262 1.00 0.00 H new ATOM 0 HB ILE A 44 5.127 -2.292 2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.842 -2.695 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.287 -2.668 -0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.014 -3.867 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.551 -4.603 2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.034 -4.991 1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.229 -0.385 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.730 -0.508 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.309 -0.535 1.176 1.00 0.00 H new ATOM 716 N PHE A 45 3.078 -5.478 2.227 1.00 0.00 N ATOM 717 CA PHE A 45 2.450 -6.253 3.283 1.00 0.00 C ATOM 718 C PHE A 45 3.173 -7.586 3.488 1.00 0.00 C ATOM 719 O PHE A 45 3.406 -8.323 2.532 1.00 0.00 O ATOM 720 CB PHE A 45 1.011 -6.528 2.842 1.00 0.00 C ATOM 721 CG PHE A 45 0.021 -6.666 4.000 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.244 -7.581 4.981 1.00 0.00 C ATOM 723 CD2 PHE A 45 -1.083 -5.872 4.048 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.675 -7.708 6.056 1.00 0.00 C ATOM 725 CE2 PHE A 45 -2.002 -5.999 5.123 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.779 -6.914 6.104 1.00 0.00 C ATOM 0 H PHE A 45 3.543 -6.034 1.509 1.00 0.00 H new ATOM 0 HA PHE A 45 2.488 -5.702 4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.681 -5.719 2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.992 -7.443 2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.120 -8.211 4.942 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.260 -5.145 3.269 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.498 -8.435 6.835 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.878 -5.369 5.162 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.478 -7.010 6.921 1.00 0.00 H new ATOM 736 N ALA A 46 3.508 -7.854 4.742 1.00 0.00 N ATOM 737 CA ALA A 46 4.199 -9.086 5.085 1.00 0.00 C ATOM 738 C ALA A 46 5.470 -9.202 4.241 1.00 0.00 C ATOM 739 O ALA A 46 5.975 -10.303 4.023 1.00 0.00 O ATOM 740 CB ALA A 46 3.256 -10.273 4.886 1.00 0.00 C ATOM 0 H ALA A 46 3.314 -7.239 5.533 1.00 0.00 H new ATOM 0 HA ALA A 46 4.498 -9.081 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.774 -11.197 5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.383 -10.156 5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.937 -10.314 3.844 1.00 0.00 H new ATOM 746 N GLY A 47 5.951 -8.054 3.790 1.00 0.00 N ATOM 747 CA GLY A 47 7.153 -8.014 2.975 1.00 0.00 C ATOM 748 C GLY A 47 6.827 -8.273 1.504 1.00 0.00 C ATOM 749 O GLY A 47 7.707 -8.198 0.646 1.00 0.00 O ATOM 0 H GLY A 47 5.530 -7.143 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.635 -7.042 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.863 -8.761 3.331 1.00 0.00 H new ATOM 753 N LYS A 48 5.560 -8.572 1.254 1.00 0.00 N ATOM 754 CA LYS A 48 5.108 -8.841 -0.100 1.00 0.00 C ATOM 755 C LYS A 48 4.288 -7.653 -0.605 1.00 0.00 C ATOM 756 O LYS A 48 3.418 -7.149 0.104 1.00 0.00 O ATOM 757 CB LYS A 48 4.359 -10.175 -0.158 1.00 0.00 C ATOM 758 CG LYS A 48 4.347 -10.735 -1.582 1.00 0.00 C ATOM 759 CD LYS A 48 4.306 -12.265 -1.568 1.00 0.00 C ATOM 760 CE LYS A 48 2.872 -12.775 -1.724 1.00 0.00 C ATOM 761 NZ LYS A 48 2.684 -13.392 -3.056 1.00 0.00 N ATOM 0 H LYS A 48 4.833 -8.634 1.967 1.00 0.00 H new ATOM 0 HA LYS A 48 5.959 -8.949 -0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.832 -10.891 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.336 -10.037 0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.482 -10.349 -2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.234 -10.396 -2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.925 -12.657 -2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.728 -12.635 -0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.652 -13.504 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.170 -11.951 -1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.706 -13.733 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.874 -12.686 -3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.340 -14.191 -3.164 1.00 0.00 H new ATOM 775 N GLN A 49 4.593 -7.241 -1.826 1.00 0.00 N ATOM 776 CA GLN A 49 3.895 -6.121 -2.434 1.00 0.00 C ATOM 777 C GLN A 49 2.549 -6.578 -3.000 1.00 0.00 C ATOM 778 O GLN A 49 2.456 -7.647 -3.602 1.00 0.00 O ATOM 779 CB GLN A 49 4.751 -5.465 -3.520 1.00 0.00 C ATOM 780 CG GLN A 49 4.899 -6.385 -4.733 1.00 0.00 C ATOM 781 CD GLN A 49 5.691 -5.700 -5.848 1.00 0.00 C ATOM 782 OE1 GLN A 49 5.170 -4.915 -6.624 1.00 0.00 O ATOM 783 NE2 GLN A 49 6.977 -6.038 -5.883 1.00 0.00 N ATOM 0 H GLN A 49 5.314 -7.663 -2.411 1.00 0.00 H new ATOM 0 HA GLN A 49 3.708 -5.373 -1.663 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.296 -4.523 -3.827 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.736 -5.227 -3.117 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.403 -7.305 -4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.913 -6.667 -5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.349 -6.701 -5.203 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.592 -5.634 -6.590 1.00 0.00 H new ATOM 792 N LEU A 50 1.540 -5.746 -2.787 1.00 0.00 N ATOM 793 CA LEU A 50 0.204 -6.052 -3.268 1.00 0.00 C ATOM 794 C LEU A 50 0.123 -5.747 -4.765 1.00 0.00 C ATOM 795 O LEU A 50 0.249 -4.594 -5.175 1.00 0.00 O ATOM 796 CB LEU A 50 -0.848 -5.317 -2.434 1.00 0.00 C ATOM 797 CG LEU A 50 -0.545 -5.184 -0.940 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.650 -4.407 -0.223 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.303 -6.555 -0.305 1.00 0.00 C ATOM 0 H LEU A 50 1.621 -4.860 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.010 -7.114 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.978 -4.317 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.800 -5.836 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 50 0.375 -4.611 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.410 -4.327 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.731 -3.409 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.599 -4.931 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.090 -6.432 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.191 -7.175 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.545 -7.037 -0.792 1.00 0.00 H new ATOM 811 N GLU A 51 -0.085 -6.801 -5.541 1.00 0.00 N ATOM 812 CA GLU A 51 -0.184 -6.660 -6.984 1.00 0.00 C ATOM 813 C GLU A 51 -1.633 -6.392 -7.393 1.00 0.00 C ATOM 814 O GLU A 51 -2.519 -7.200 -7.121 1.00 0.00 O ATOM 815 CB GLU A 51 0.366 -7.898 -7.694 1.00 0.00 C ATOM 816 CG GLU A 51 1.855 -8.084 -7.399 1.00 0.00 C ATOM 817 CD GLU A 51 2.674 -6.918 -7.956 1.00 0.00 C ATOM 818 OE1 GLU A 51 2.164 -6.261 -8.888 1.00 0.00 O ATOM 819 OE2 GLU A 51 3.792 -6.711 -7.437 1.00 0.00 O ATOM 0 H GLU A 51 -0.188 -7.756 -5.198 1.00 0.00 H new ATOM 0 HA GLU A 51 0.422 -5.807 -7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.185 -8.781 -7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.214 -7.802 -8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.009 -8.160 -6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.202 -9.019 -7.838 1.00 0.00 H new ATOM 826 N ASP A 52 -1.830 -5.253 -8.042 1.00 0.00 N ATOM 827 CA ASP A 52 -3.157 -4.867 -8.491 1.00 0.00 C ATOM 828 C ASP A 52 -3.811 -6.049 -9.210 1.00 0.00 C ATOM 829 O ASP A 52 -3.449 -6.369 -10.341 1.00 0.00 O ATOM 830 CB ASP A 52 -3.087 -3.696 -9.473 1.00 0.00 C ATOM 831 CG ASP A 52 -2.044 -3.844 -10.582 1.00 0.00 C ATOM 832 OD1 ASP A 52 -0.854 -3.607 -10.278 1.00 0.00 O ATOM 833 OD2 ASP A 52 -2.458 -4.190 -11.709 1.00 0.00 O ATOM 0 H ASP A 52 -1.093 -4.585 -8.267 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.736 -4.570 -7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.067 -3.567 -9.932 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.874 -2.785 -8.914 1.00 0.00 H new ATOM 838 N GLY A 53 -4.762 -6.665 -8.524 1.00 0.00 N ATOM 839 CA GLY A 53 -5.469 -7.804 -9.083 1.00 0.00 C ATOM 840 C GLY A 53 -5.741 -8.861 -8.011 1.00 0.00 C ATOM 841 O GLY A 53 -6.534 -9.777 -8.223 1.00 0.00 O ATOM 0 H GLY A 53 -5.059 -6.397 -7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.411 -7.473 -9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.880 -8.242 -9.889 1.00 0.00 H new ATOM 845 N ARG A 54 -5.067 -8.699 -6.882 1.00 0.00 N ATOM 846 CA ARG A 54 -5.225 -9.628 -5.775 1.00 0.00 C ATOM 847 C ARG A 54 -6.233 -9.081 -4.762 1.00 0.00 C ATOM 848 O ARG A 54 -6.449 -7.872 -4.688 1.00 0.00 O ATOM 849 CB ARG A 54 -3.889 -9.879 -5.071 1.00 0.00 C ATOM 850 CG ARG A 54 -3.052 -10.906 -5.835 1.00 0.00 C ATOM 851 CD ARG A 54 -3.266 -12.314 -5.276 1.00 0.00 C ATOM 852 NE ARG A 54 -2.507 -13.299 -6.080 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.140 -14.508 -5.634 1.00 0.00 C ATOM 854 NH1 ARG A 54 -2.459 -14.889 -4.390 1.00 0.00 N ATOM 855 NH2 ARG A 54 -1.454 -15.336 -6.433 1.00 0.00 N ATOM 0 H ARG A 54 -4.410 -7.938 -6.710 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.590 -10.570 -6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.336 -8.943 -4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.069 -10.234 -4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.321 -10.886 -6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.997 -10.641 -5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.942 -12.354 -4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.327 -12.562 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.248 -13.041 -7.032 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.982 -14.259 -3.782 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.179 -15.809 -4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.211 -15.046 -7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.174 -16.256 -6.094 1.00 0.00 H new ATOM 869 N THR A 55 -6.822 -9.996 -4.007 1.00 0.00 N ATOM 870 CA THR A 55 -7.801 -9.620 -3.003 1.00 0.00 C ATOM 871 C THR A 55 -7.150 -9.559 -1.620 1.00 0.00 C ATOM 872 O THR A 55 -6.177 -10.263 -1.356 1.00 0.00 O ATOM 873 CB THR A 55 -8.965 -10.611 -3.083 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.424 -11.823 -2.565 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.342 -10.957 -4.524 1.00 0.00 C ATOM 0 H THR A 55 -6.640 -10.998 -4.071 1.00 0.00 H new ATOM 0 HA THR A 55 -8.193 -8.620 -3.188 1.00 0.00 H new ATOM 0 HB THR A 55 -9.833 -10.194 -2.572 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.112 -12.521 -2.579 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.172 -11.663 -4.523 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.638 -10.050 -5.051 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.485 -11.405 -5.027 1.00 0.00 H new ATOM 883 N LEU A 56 -7.713 -8.709 -0.773 1.00 0.00 N ATOM 884 CA LEU A 56 -7.199 -8.545 0.576 1.00 0.00 C ATOM 885 C LEU A 56 -7.297 -9.879 1.320 1.00 0.00 C ATOM 886 O LEU A 56 -6.402 -10.235 2.084 1.00 0.00 O ATOM 887 CB LEU A 56 -7.911 -7.393 1.286 1.00 0.00 C ATOM 888 CG LEU A 56 -7.896 -6.046 0.558 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.921 -5.084 1.163 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.488 -5.447 0.542 1.00 0.00 C ATOM 0 H LEU A 56 -8.520 -8.127 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.145 -8.269 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.949 -7.681 1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.455 -7.259 2.267 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.186 -6.215 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.890 -4.135 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.919 -5.515 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.686 -4.916 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.505 -4.491 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.146 -5.295 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.809 -6.128 0.030 1.00 0.00 H new ATOM 902 N SER A 57 -8.392 -10.581 1.069 1.00 0.00 N ATOM 903 CA SER A 57 -8.619 -11.868 1.704 1.00 0.00 C ATOM 904 C SER A 57 -7.543 -12.864 1.268 1.00 0.00 C ATOM 905 O SER A 57 -7.097 -13.689 2.063 1.00 0.00 O ATOM 906 CB SER A 57 -10.011 -12.410 1.371 1.00 0.00 C ATOM 907 OG SER A 57 -10.317 -13.587 2.112 1.00 0.00 O ATOM 0 H SER A 57 -9.132 -10.283 0.434 1.00 0.00 H new ATOM 0 HA SER A 57 -8.562 -11.731 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.758 -11.645 1.582 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.070 -12.628 0.305 1.00 0.00 H new ATOM 0 HG SER A 57 -11.214 -13.901 1.872 1.00 0.00 H new ATOM 913 N ASP A 58 -7.157 -12.755 0.005 1.00 0.00 N ATOM 914 CA ASP A 58 -6.142 -13.635 -0.547 1.00 0.00 C ATOM 915 C ASP A 58 -4.820 -13.406 0.189 1.00 0.00 C ATOM 916 O ASP A 58 -3.930 -14.254 0.152 1.00 0.00 O ATOM 917 CB ASP A 58 -5.913 -13.349 -2.031 1.00 0.00 C ATOM 918 CG ASP A 58 -6.678 -14.263 -2.991 1.00 0.00 C ATOM 919 OD1 ASP A 58 -7.768 -14.724 -2.588 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.156 -14.480 -4.106 1.00 0.00 O ATOM 0 H ASP A 58 -7.530 -12.070 -0.652 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.485 -14.663 -0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.195 -12.316 -2.234 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.847 -13.436 -2.242 1.00 0.00 H new ATOM 925 N TYR A 59 -4.734 -12.254 0.839 1.00 0.00 N ATOM 926 CA TYR A 59 -3.535 -11.902 1.581 1.00 0.00 C ATOM 927 C TYR A 59 -3.706 -12.201 3.071 1.00 0.00 C ATOM 928 O TYR A 59 -2.776 -12.018 3.857 1.00 0.00 O ATOM 929 CB TYR A 59 -3.349 -10.396 1.392 1.00 0.00 C ATOM 930 CG TYR A 59 -2.731 -10.008 0.048 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.503 -10.520 -0.320 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.401 -9.147 -0.798 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.921 -10.155 -1.586 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.819 -8.782 -2.063 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.608 -9.305 -2.395 1.00 0.00 C ATOM 936 OH TYR A 59 -1.058 -8.960 -3.590 1.00 0.00 O ATOM 0 H TYR A 59 -5.475 -11.553 0.867 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.680 -12.476 1.224 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.318 -9.906 1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.717 -10.015 2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.979 -11.194 0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.362 -8.747 -0.511 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.039 -10.548 -1.886 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.332 -8.108 -2.733 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.774 -9.769 -4.065 1.00 0.00 H new ATOM 946 N ASN A 60 -4.902 -12.656 3.419 1.00 0.00 N ATOM 947 CA ASN A 60 -5.207 -12.980 4.801 1.00 0.00 C ATOM 948 C ASN A 60 -4.910 -11.766 5.684 1.00 0.00 C ATOM 949 O ASN A 60 -4.226 -11.884 6.699 1.00 0.00 O ATOM 950 CB ASN A 60 -4.346 -14.146 5.296 1.00 0.00 C ATOM 951 CG ASN A 60 -4.817 -14.631 6.668 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.998 -14.801 6.924 1.00 0.00 O ATOM 953 ND2 ASN A 60 -3.830 -14.843 7.534 1.00 0.00 N ATOM 0 H ASN A 60 -5.671 -12.808 2.766 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.259 -13.258 4.857 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.393 -14.967 4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.303 -13.834 5.355 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.041 -15.168 8.478 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.863 -14.681 7.254 1.00 0.00 H new ATOM 960 N ILE A 61 -5.440 -10.627 5.263 1.00 0.00 N ATOM 961 CA ILE A 61 -5.241 -9.392 6.003 1.00 0.00 C ATOM 962 C ILE A 61 -6.258 -9.316 7.144 1.00 0.00 C ATOM 963 O ILE A 61 -7.427 -9.653 6.961 1.00 0.00 O ATOM 964 CB ILE A 61 -5.285 -8.189 5.059 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.140 -8.245 4.046 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.291 -6.876 5.844 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.435 -7.360 2.834 1.00 0.00 C ATOM 0 H ILE A 61 -6.006 -10.533 4.420 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.250 -9.376 6.457 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.217 -8.232 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.214 -7.921 4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.988 -9.274 3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.323 -6.037 5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.167 -6.844 6.492 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.388 -6.811 6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.605 -7.419 2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.348 -7.702 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.562 -6.328 3.160 1.00 0.00 H new ATOM 979 N GLN A 62 -5.776 -8.871 8.295 1.00 0.00 N ATOM 980 CA GLN A 62 -6.629 -8.747 9.465 1.00 0.00 C ATOM 981 C GLN A 62 -7.152 -7.315 9.591 1.00 0.00 C ATOM 982 O GLN A 62 -6.511 -6.373 9.124 1.00 0.00 O ATOM 983 CB GLN A 62 -5.885 -9.173 10.733 1.00 0.00 C ATOM 984 CG GLN A 62 -5.025 -10.411 10.474 1.00 0.00 C ATOM 985 CD GLN A 62 -5.872 -11.685 10.510 1.00 0.00 C ATOM 986 OE1 GLN A 62 -5.830 -12.463 11.449 1.00 0.00 O ATOM 987 NE2 GLN A 62 -6.641 -11.853 9.438 1.00 0.00 N ATOM 0 H GLN A 62 -4.806 -8.592 8.442 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.482 -9.415 9.342 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.255 -8.355 11.082 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.602 -9.383 11.526 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.537 -10.322 9.504 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.236 -10.473 11.224 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.628 -11.162 8.687 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.244 -12.672 9.366 1.00 0.00 H new ATOM 996 N LYS A 63 -8.309 -7.194 10.224 1.00 0.00 N ATOM 997 CA LYS A 63 -8.925 -5.893 10.416 1.00 0.00 C ATOM 998 C LYS A 63 -7.902 -4.936 11.032 1.00 0.00 C ATOM 999 O LYS A 63 -7.100 -5.336 11.874 1.00 0.00 O ATOM 1000 CB LYS A 63 -10.213 -6.025 11.233 1.00 0.00 C ATOM 1001 CG LYS A 63 -10.867 -4.660 11.449 1.00 0.00 C ATOM 1002 CD LYS A 63 -11.990 -4.423 10.438 1.00 0.00 C ATOM 1003 CE LYS A 63 -13.363 -4.577 11.096 1.00 0.00 C ATOM 1004 NZ LYS A 63 -14.296 -3.543 10.599 1.00 0.00 N ATOM 0 H LYS A 63 -8.837 -7.977 10.611 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.225 -5.468 9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.908 -6.688 10.718 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.991 -6.483 12.197 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.266 -4.600 12.462 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.117 -3.875 11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.897 -3.424 10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.897 -5.130 9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.764 -5.568 10.885 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.265 -4.496 12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.222 -3.663 11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.919 -2.600 10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.403 -3.638 9.569 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.964 -3.689 10.588 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.053 -2.672 11.083 1.00 0.00 C ATOM 1020 C GLU A 64 -5.604 -3.136 10.931 1.00 0.00 C ATOM 1021 O GLU A 64 -4.806 -3.007 11.858 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.366 -2.320 12.539 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.875 -2.219 12.768 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.203 -1.131 13.792 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.852 -1.338 14.973 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -9.800 -0.116 13.371 1.00 0.00 O ATOM 0 H GLU A 64 -8.632 -3.360 9.890 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.188 -1.770 10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.945 -3.079 13.199 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.891 -1.373 12.798 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.375 -1.999 11.825 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.259 -3.178 13.116 1.00 0.00 H new ATOM 1033 N SER A 65 -5.307 -3.666 9.753 1.00 0.00 N ATOM 1034 CA SER A 65 -3.968 -4.151 9.468 1.00 0.00 C ATOM 1035 C SER A 65 -3.024 -2.970 9.227 1.00 0.00 C ATOM 1036 O SER A 65 -3.468 -1.827 9.129 1.00 0.00 O ATOM 1037 CB SER A 65 -3.968 -5.086 8.256 1.00 0.00 C ATOM 1038 OG SER A 65 -4.108 -6.452 8.636 1.00 0.00 O ATOM 0 H SER A 65 -5.971 -3.770 8.986 1.00 0.00 H new ATOM 0 HA SER A 65 -3.618 -4.718 10.331 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.782 -4.811 7.586 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.040 -4.958 7.699 1.00 0.00 H new ATOM 0 HG SER A 65 -4.961 -6.576 9.102 1.00 0.00 H new ATOM 1044 N THR A 66 -1.741 -3.288 9.139 1.00 0.00 N ATOM 1045 CA THR A 66 -0.732 -2.268 8.913 1.00 0.00 C ATOM 1046 C THR A 66 -0.189 -2.363 7.485 1.00 0.00 C ATOM 1047 O THR A 66 0.614 -3.243 7.180 1.00 0.00 O ATOM 1048 CB THR A 66 0.348 -2.424 9.985 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.223 -1.819 11.143 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.588 -1.576 9.694 1.00 0.00 C ATOM 0 H THR A 66 -1.377 -4.237 9.220 1.00 0.00 H new ATOM 0 HA THR A 66 -1.155 -1.267 9.001 1.00 0.00 H new ATOM 0 HB THR A 66 0.635 -3.473 10.062 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.410 -1.877 11.888 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.323 -1.723 10.485 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.018 -1.876 8.738 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.307 -0.524 9.651 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.649 -1.445 6.648 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.220 -1.415 5.261 1.00 0.00 C ATOM 1060 C LEU A 67 0.685 -0.201 5.038 1.00 0.00 C ATOM 1061 O LEU A 67 0.419 0.880 5.561 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.429 -1.459 4.324 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.248 -2.752 4.348 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.209 -2.770 5.538 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.976 -2.965 3.019 1.00 0.00 C ATOM 0 H LEU A 67 -1.315 -0.716 6.904 1.00 0.00 H new ATOM 0 HA LEU A 67 0.369 -2.302 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.089 -0.629 4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.080 -1.292 3.305 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.562 -3.589 4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.779 -3.699 5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.641 -2.699 6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.893 -1.924 5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.550 -3.890 3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.650 -2.128 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.247 -3.028 2.211 1.00 0.00 H new ATOM 1077 N HIS A 68 1.735 -0.421 4.261 1.00 0.00 N ATOM 1078 CA HIS A 68 2.681 0.642 3.963 1.00 0.00 C ATOM 1079 C HIS A 68 2.454 1.145 2.536 1.00 0.00 C ATOM 1080 O HIS A 68 2.784 0.456 1.571 1.00 0.00 O ATOM 1081 CB HIS A 68 4.117 0.174 4.206 1.00 0.00 C ATOM 1082 CG HIS A 68 4.959 1.156 4.987 1.00 0.00 C ATOM 1083 ND1 HIS A 68 6.210 0.839 5.487 1.00 0.00 N ATOM 1084 CD2 HIS A 68 4.716 2.448 5.347 1.00 0.00 C ATOM 1085 CE1 HIS A 68 6.689 1.901 6.118 1.00 0.00 C ATOM 1086 NE2 HIS A 68 5.761 2.897 6.031 1.00 0.00 N ATOM 0 H HIS A 68 1.952 -1.319 3.829 1.00 0.00 H new ATOM 0 HA HIS A 68 2.515 1.482 4.638 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.093 -0.775 4.742 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.595 -0.014 3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.824 3.011 5.115 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.646 1.967 6.614 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.855 3.833 6.426 1.00 0.00 H new ATOM 1094 N LEU A 69 1.895 2.343 2.446 1.00 0.00 N ATOM 1095 CA LEU A 69 1.619 2.946 1.154 1.00 0.00 C ATOM 1096 C LEU A 69 2.769 3.883 0.780 1.00 0.00 C ATOM 1097 O LEU A 69 2.847 5.005 1.278 1.00 0.00 O ATOM 1098 CB LEU A 69 0.249 3.625 1.160 1.00 0.00 C ATOM 1099 CG LEU A 69 0.117 4.877 0.291 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.569 4.598 -1.145 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -1.306 5.434 0.345 1.00 0.00 C ATOM 0 H LEU A 69 1.626 2.912 3.248 1.00 0.00 H new ATOM 0 HA LEU A 69 1.564 2.181 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.495 2.899 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.003 3.893 2.188 1.00 0.00 H new ATOM 0 HG LEU A 69 0.779 5.644 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.465 5.504 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.612 4.282 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.048 3.808 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.373 6.324 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.005 4.681 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.556 5.695 1.373 1.00 0.00 H new ATOM 1113 N VAL A 70 3.633 3.390 -0.096 1.00 0.00 N ATOM 1114 CA VAL A 70 4.774 4.169 -0.544 1.00 0.00 C ATOM 1115 C VAL A 70 4.621 4.482 -2.033 1.00 0.00 C ATOM 1116 O VAL A 70 3.781 3.893 -2.711 1.00 0.00 O ATOM 1117 CB VAL A 70 6.073 3.429 -0.219 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.291 4.224 -0.694 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.170 3.120 1.276 1.00 0.00 C ATOM 0 H VAL A 70 3.565 2.459 -0.508 1.00 0.00 H new ATOM 0 HA VAL A 70 4.817 5.121 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 70 6.061 2.481 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.201 3.676 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.233 4.369 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.308 5.194 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.103 2.594 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.148 4.051 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.328 2.494 1.574 1.00 0.00 H new