USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 556 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 71 LYS NZ :NH3+ -167:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 73 GLN : amide:sc= 1.07 K(o=2.3,f=-5.3) USER MOD Set 2.1: A 37 ASN : amide:sc= -0.119 K(o=-1.8,f=-5.8!) USER MOD Set 2.2: A 42 GLN : amide:sc= -1.71 K(o=-1.8,f=-4.7!) USER MOD Set 3.1: A 1 MET N :NH3+ 168:sc= 1.45 (180deg=-0.299) USER MOD Set 3.2: A 3 GLN : amide:sc= 2.41 K(o=6.2,f=-9.9!) USER MOD Set 3.3: A 32 GLN : amide:sc= -0.0472 K(o=6.2,f=-6.7!) USER MOD Set 3.4: A 33 SER OG : rot 2:sc= 1.15 USER MOD Set 3.5: A 46 SER OG : rot 77:sc= 1.23 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00363) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD Single : A 8 GLN : amide:sc= 1.1 K(o=1.1,f=-1.2) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -104:sc= 0.663 USER MOD Single : A 17 CYS SG : rot -116:sc= 0.0888 USER MOD Single : A 19 SER OG : rot 53:sc= 1.15 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= 1.18 (180deg=-0.737) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.812 USER MOD Single : A 35 GLN : amide:sc= -3.84! C(o=-3.8!,f=-4.6!) USER MOD Single : A 47 TYR OH : rot 165:sc= 1.24 USER MOD Single : A 48 HIS : no HD1:sc= -1.83! K(o=-1.8!,f=-0.21) USER MOD Single : A 51 THR OG1 : rot 38:sc= 0.637 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot -61:sc= 1.19 USER MOD Single : A 65 TYR OH : rot 180:sc= 0.0806 USER MOD Single : A 66 HIS : no HD1:sc= -0.859 K(o=-0.86,f=-2.6!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.599 -13.168 -6.467 1.00 6.54 N ATOM 2 CA MET A 1 -4.090 -14.040 -7.543 1.00 5.40 C ATOM 3 C MET A 1 -3.341 -13.145 -8.530 1.00 4.21 C ATOM 4 O MET A 1 -2.639 -12.254 -8.068 1.00 5.04 O ATOM 5 CB MET A 1 -5.214 -14.877 -8.185 1.00 5.26 C ATOM 6 CG MET A 1 -5.962 -15.750 -7.172 1.00 6.48 C ATOM 7 SD MET A 1 -7.248 -16.791 -7.905 1.00 6.61 S ATOM 8 CE MET A 1 -8.530 -15.573 -8.315 1.00 7.12 C ATOM 0 H1 MET A 1 -5.281 -13.696 -5.886 1.00 6.54 H new ATOM 0 H2 MET A 1 -3.807 -12.853 -5.871 1.00 6.54 H new ATOM 0 H3 MET A 1 -5.068 -12.339 -6.885 1.00 6.54 H new ATOM 0 HA MET A 1 -3.401 -14.787 -7.150 1.00 5.40 H new ATOM 0 HB2 MET A 1 -5.923 -14.209 -8.674 1.00 5.26 H new ATOM 0 HB3 MET A 1 -4.788 -15.513 -8.961 1.00 5.26 H new ATOM 0 HG2 MET A 1 -5.243 -16.387 -6.656 1.00 6.48 H new ATOM 0 HG3 MET A 1 -6.416 -15.106 -6.418 1.00 6.48 H new ATOM 0 HE1 MET A 1 -9.394 -16.083 -8.741 1.00 7.12 H new ATOM 0 HE2 MET A 1 -8.831 -15.043 -7.411 1.00 7.12 H new ATOM 0 HE3 MET A 1 -8.136 -14.860 -9.040 1.00 7.12 H new ATOM 20 N ALA A 2 -3.531 -13.286 -9.849 1.00 3.29 N ATOM 21 CA ALA A 2 -2.926 -12.408 -10.857 1.00 3.47 C ATOM 22 C ALA A 2 -3.362 -10.928 -10.765 1.00 2.40 C ATOM 23 O ALA A 2 -2.704 -10.072 -11.343 1.00 2.61 O ATOM 24 CB ALA A 2 -3.233 -12.999 -12.239 1.00 4.52 C ATOM 0 H ALA A 2 -4.115 -14.020 -10.249 1.00 3.29 H new ATOM 0 HA ALA A 2 -1.852 -12.377 -10.672 1.00 3.47 H new ATOM 0 HB1 ALA A 2 -2.795 -12.366 -13.011 1.00 4.52 H new ATOM 0 HB2 ALA A 2 -2.810 -14.001 -12.308 1.00 4.52 H new ATOM 0 HB3 ALA A 2 -4.312 -13.050 -12.381 1.00 4.52 H new ATOM 30 N GLN A 3 -4.428 -10.597 -10.023 1.00 1.79 N ATOM 31 CA GLN A 3 -4.825 -9.216 -9.740 1.00 1.03 C ATOM 32 C GLN A 3 -3.979 -8.628 -8.590 1.00 0.98 C ATOM 33 O GLN A 3 -4.468 -8.358 -7.489 1.00 1.32 O ATOM 34 CB GLN A 3 -6.367 -9.112 -9.616 1.00 1.41 C ATOM 35 CG GLN A 3 -7.104 -9.436 -8.297 1.00 2.44 C ATOM 36 CD GLN A 3 -6.931 -10.826 -7.685 1.00 4.03 C ATOM 37 OE1 GLN A 3 -6.197 -11.695 -8.146 1.00 4.24 O ATOM 38 NE2 GLN A 3 -7.619 -11.089 -6.594 1.00 5.65 N ATOM 0 H GLN A 3 -5.044 -11.291 -9.599 1.00 1.79 H new ATOM 0 HA GLN A 3 -4.592 -8.559 -10.578 1.00 1.03 H new ATOM 0 HB2 GLN A 3 -6.636 -8.090 -9.884 1.00 1.41 H new ATOM 0 HB3 GLN A 3 -6.789 -9.764 -10.381 1.00 1.41 H new ATOM 0 HG2 GLN A 3 -6.788 -8.705 -7.553 1.00 2.44 H new ATOM 0 HG3 GLN A 3 -8.169 -9.279 -8.466 1.00 2.44 H new ATOM 0 HE21 GLN A 3 -8.234 -10.380 -6.196 1.00 5.65 H new ATOM 0 HE22 GLN A 3 -7.537 -12.002 -6.147 1.00 5.65 H new ATOM 47 N THR A 4 -2.674 -8.481 -8.859 1.00 0.89 N ATOM 48 CA THR A 4 -1.665 -7.830 -8.014 1.00 0.90 C ATOM 49 C THR A 4 -1.144 -6.579 -8.707 1.00 0.97 C ATOM 50 O THR A 4 -1.164 -6.472 -9.928 1.00 1.19 O ATOM 51 CB THR A 4 -0.542 -8.819 -7.617 1.00 0.98 C ATOM 52 OG1 THR A 4 0.355 -8.187 -6.739 1.00 1.11 O ATOM 53 CG2 THR A 4 0.247 -9.374 -8.805 1.00 1.20 C ATOM 0 H THR A 4 -2.271 -8.836 -9.726 1.00 0.89 H new ATOM 0 HA THR A 4 -2.125 -7.515 -7.077 1.00 0.90 H new ATOM 0 HB THR A 4 -1.041 -9.664 -7.142 1.00 0.98 H new ATOM 0 HG1 THR A 4 1.064 -8.815 -6.488 1.00 1.11 H new ATOM 0 HG21 THR A 4 1.015 -10.059 -8.444 1.00 1.20 H new ATOM 0 HG22 THR A 4 -0.429 -9.907 -9.474 1.00 1.20 H new ATOM 0 HG23 THR A 4 0.718 -8.552 -9.345 1.00 1.20 H new ATOM 61 N ILE A 5 -0.683 -5.634 -7.896 1.00 0.98 N ATOM 62 CA ILE A 5 -0.048 -4.375 -8.293 1.00 0.98 C ATOM 63 C ILE A 5 1.347 -4.329 -7.664 1.00 0.87 C ATOM 64 O ILE A 5 1.497 -4.680 -6.490 1.00 0.94 O ATOM 65 CB ILE A 5 -0.896 -3.177 -7.792 1.00 1.09 C ATOM 66 CG1 ILE A 5 -2.363 -3.196 -8.284 1.00 1.32 C ATOM 67 CG2 ILE A 5 -0.236 -1.830 -8.145 1.00 1.12 C ATOM 68 CD1 ILE A 5 -2.555 -3.092 -9.803 1.00 1.62 C ATOM 0 H ILE A 5 -0.744 -5.728 -6.882 1.00 0.98 H new ATOM 0 HA ILE A 5 0.027 -4.313 -9.379 1.00 0.98 H new ATOM 0 HB ILE A 5 -0.930 -3.288 -6.708 1.00 1.09 H new ATOM 0 HG12 ILE A 5 -2.831 -4.118 -7.939 1.00 1.32 H new ATOM 0 HG13 ILE A 5 -2.897 -2.371 -7.811 1.00 1.32 H new ATOM 0 HG21 ILE A 5 -0.858 -1.013 -7.779 1.00 1.12 H new ATOM 0 HG22 ILE A 5 0.748 -1.774 -7.680 1.00 1.12 H new ATOM 0 HG23 ILE A 5 -0.131 -1.749 -9.227 1.00 1.12 H new ATOM 0 HD11 ILE A 5 -3.619 -3.115 -10.038 1.00 1.62 H new ATOM 0 HD12 ILE A 5 -2.124 -2.157 -10.161 1.00 1.62 H new ATOM 0 HD13 ILE A 5 -2.058 -3.930 -10.291 1.00 1.62 H new ATOM 80 N ASN A 6 2.332 -3.839 -8.421 1.00 0.78 N ATOM 81 CA ASN A 6 3.644 -3.430 -7.919 1.00 0.61 C ATOM 82 C ASN A 6 3.909 -1.960 -8.287 1.00 0.47 C ATOM 83 O ASN A 6 3.917 -1.585 -9.464 1.00 0.69 O ATOM 84 CB ASN A 6 4.747 -4.379 -8.423 1.00 0.76 C ATOM 85 CG ASN A 6 4.663 -4.757 -9.903 1.00 0.97 C ATOM 86 OD1 ASN A 6 4.402 -5.898 -10.247 1.00 2.14 O ATOM 87 ND2 ASN A 6 4.862 -3.836 -10.828 1.00 1.69 N ATOM 0 H ASN A 6 2.235 -3.713 -9.428 1.00 0.78 H new ATOM 0 HA ASN A 6 3.654 -3.501 -6.831 1.00 0.61 H new ATOM 0 HB2 ASN A 6 5.715 -3.913 -8.239 1.00 0.76 H new ATOM 0 HB3 ASN A 6 4.715 -5.293 -7.830 1.00 0.76 H new ATOM 0 HD21 ASN A 6 4.797 -4.083 -11.816 1.00 1.69 H new ATOM 0 HD22 ASN A 6 5.081 -2.878 -10.555 1.00 1.69 H new ATOM 94 N LEU A 7 4.127 -1.121 -7.275 1.00 0.44 N ATOM 95 CA LEU A 7 4.333 0.321 -7.438 1.00 0.44 C ATOM 96 C LEU A 7 5.379 0.833 -6.438 1.00 0.40 C ATOM 97 O LEU A 7 5.779 0.112 -5.532 1.00 0.44 O ATOM 98 CB LEU A 7 2.964 1.043 -7.439 1.00 0.51 C ATOM 99 CG LEU A 7 2.301 1.424 -6.096 1.00 0.53 C ATOM 100 CD1 LEU A 7 0.868 1.889 -6.391 1.00 0.73 C ATOM 101 CD2 LEU A 7 2.229 0.275 -5.081 1.00 0.57 C ATOM 0 H LEU A 7 4.166 -1.427 -6.303 1.00 0.44 H new ATOM 0 HA LEU A 7 4.771 0.555 -8.408 1.00 0.44 H new ATOM 0 HB2 LEU A 7 3.079 1.960 -8.017 1.00 0.51 H new ATOM 0 HB3 LEU A 7 2.262 0.410 -7.981 1.00 0.51 H new ATOM 0 HG LEU A 7 2.920 2.201 -5.647 1.00 0.53 H new ATOM 0 HD11 LEU A 7 0.376 2.165 -5.458 1.00 0.73 H new ATOM 0 HD12 LEU A 7 0.895 2.752 -7.056 1.00 0.73 H new ATOM 0 HD13 LEU A 7 0.314 1.081 -6.868 1.00 0.73 H new ATOM 0 HD21 LEU A 7 1.750 0.626 -4.167 1.00 0.57 H new ATOM 0 HD22 LEU A 7 1.649 -0.546 -5.502 1.00 0.57 H new ATOM 0 HD23 LEU A 7 3.237 -0.072 -4.852 1.00 0.57 H new ATOM 113 N GLN A 8 5.882 2.043 -6.626 1.00 0.36 N ATOM 114 CA GLN A 8 6.729 2.747 -5.663 1.00 0.36 C ATOM 115 C GLN A 8 5.852 3.577 -4.720 1.00 0.37 C ATOM 116 O GLN A 8 4.640 3.671 -4.913 1.00 0.56 O ATOM 117 CB GLN A 8 7.804 3.544 -6.418 1.00 0.44 C ATOM 118 CG GLN A 8 9.014 2.655 -6.735 1.00 0.55 C ATOM 119 CD GLN A 8 9.946 3.305 -7.760 1.00 0.80 C ATOM 120 OE1 GLN A 8 10.074 2.847 -8.885 1.00 1.11 O ATOM 121 NE2 GLN A 8 10.610 4.395 -7.444 1.00 1.10 N ATOM 0 H GLN A 8 5.710 2.582 -7.475 1.00 0.36 H new ATOM 0 HA GLN A 8 7.271 2.052 -5.022 1.00 0.36 H new ATOM 0 HB2 GLN A 8 7.386 3.942 -7.343 1.00 0.44 H new ATOM 0 HB3 GLN A 8 8.120 4.397 -5.818 1.00 0.44 H new ATOM 0 HG2 GLN A 8 9.567 2.454 -5.818 1.00 0.55 H new ATOM 0 HG3 GLN A 8 8.669 1.694 -7.116 1.00 0.55 H new ATOM 0 HE21 GLN A 8 10.518 4.795 -6.510 1.00 1.10 H new ATOM 0 HE22 GLN A 8 11.217 4.840 -8.133 1.00 1.10 H new ATOM 130 N LEU A 9 6.442 4.220 -3.713 1.00 0.43 N ATOM 131 CA LEU A 9 5.671 4.935 -2.702 1.00 0.46 C ATOM 132 C LEU A 9 6.361 6.257 -2.301 1.00 0.55 C ATOM 133 O LEU A 9 7.381 6.241 -1.615 1.00 0.76 O ATOM 134 CB LEU A 9 5.484 3.971 -1.515 1.00 0.48 C ATOM 135 CG LEU A 9 4.352 4.442 -0.589 1.00 0.78 C ATOM 136 CD1 LEU A 9 3.017 3.792 -0.972 1.00 1.67 C ATOM 137 CD2 LEU A 9 4.709 4.107 0.863 1.00 1.18 C ATOM 0 H LEU A 9 7.452 4.259 -3.577 1.00 0.43 H new ATOM 0 HA LEU A 9 4.695 5.232 -3.087 1.00 0.46 H new ATOM 0 HB2 LEU A 9 5.261 2.971 -1.887 1.00 0.48 H new ATOM 0 HB3 LEU A 9 6.414 3.901 -0.950 1.00 0.48 H new ATOM 0 HG LEU A 9 4.239 5.521 -0.697 1.00 0.78 H new ATOM 0 HD11 LEU A 9 2.235 4.144 -0.300 1.00 1.67 H new ATOM 0 HD12 LEU A 9 2.762 4.061 -1.997 1.00 1.67 H new ATOM 0 HD13 LEU A 9 3.104 2.708 -0.892 1.00 1.67 H new ATOM 0 HD21 LEU A 9 3.907 4.441 1.521 1.00 1.18 H new ATOM 0 HD22 LEU A 9 4.839 3.030 0.966 1.00 1.18 H new ATOM 0 HD23 LEU A 9 5.636 4.612 1.136 1.00 1.18 H new ATOM 149 N GLU A 10 5.793 7.400 -2.706 1.00 0.74 N ATOM 150 CA GLU A 10 6.305 8.744 -2.379 1.00 0.73 C ATOM 151 C GLU A 10 5.913 9.191 -0.967 1.00 0.63 C ATOM 152 O GLU A 10 5.051 8.609 -0.310 1.00 0.74 O ATOM 153 CB GLU A 10 5.810 9.843 -3.344 1.00 1.08 C ATOM 154 CG GLU A 10 5.903 9.487 -4.819 1.00 1.74 C ATOM 155 CD GLU A 10 5.920 10.703 -5.738 1.00 2.19 C ATOM 156 OE1 GLU A 10 6.747 11.613 -5.529 1.00 2.98 O ATOM 157 OE2 GLU A 10 5.218 10.635 -6.773 1.00 3.20 O ATOM 0 H GLU A 10 4.950 7.421 -3.280 1.00 0.74 H new ATOM 0 HA GLU A 10 7.386 8.636 -2.467 1.00 0.73 H new ATOM 0 HB2 GLU A 10 4.772 10.075 -3.106 1.00 1.08 H new ATOM 0 HB3 GLU A 10 6.388 10.750 -3.167 1.00 1.08 H new ATOM 0 HG2 GLU A 10 6.807 8.902 -4.987 1.00 1.74 H new ATOM 0 HG3 GLU A 10 5.058 8.852 -5.085 1.00 1.74 H new ATOM 164 N GLY A 11 6.519 10.283 -0.492 1.00 1.19 N ATOM 165 CA GLY A 11 6.223 10.886 0.814 1.00 1.47 C ATOM 166 C GLY A 11 6.807 10.097 1.988 1.00 1.38 C ATOM 167 O GLY A 11 6.952 10.664 3.069 1.00 1.72 O ATOM 0 H GLY A 11 7.241 10.782 -1.011 1.00 1.19 H new ATOM 0 HA2 GLY A 11 6.617 11.902 0.836 1.00 1.47 H new ATOM 0 HA3 GLY A 11 5.142 10.960 0.936 1.00 1.47 H new ATOM 171 N MET A 12 7.182 8.832 1.763 1.00 1.17 N ATOM 172 CA MET A 12 7.853 7.942 2.713 1.00 1.14 C ATOM 173 C MET A 12 9.038 8.603 3.448 1.00 1.12 C ATOM 174 O MET A 12 9.751 9.427 2.866 1.00 2.14 O ATOM 175 CB MET A 12 8.184 6.610 2.010 1.00 1.46 C ATOM 176 CG MET A 12 9.490 6.590 1.212 1.00 2.17 C ATOM 177 SD MET A 12 10.948 6.199 2.217 1.00 3.21 S ATOM 178 CE MET A 12 12.176 6.138 0.891 1.00 4.55 C ATOM 0 H MET A 12 7.016 8.379 0.864 1.00 1.17 H new ATOM 0 HA MET A 12 7.170 7.717 3.532 1.00 1.14 H new ATOM 0 HB2 MET A 12 8.227 5.823 2.763 1.00 1.46 H new ATOM 0 HB3 MET A 12 7.364 6.362 1.336 1.00 1.46 H new ATOM 0 HG2 MET A 12 9.405 5.857 0.410 1.00 2.17 H new ATOM 0 HG3 MET A 12 9.634 7.563 0.741 1.00 2.17 H new ATOM 0 HE1 MET A 12 13.155 5.907 1.312 1.00 4.55 H new ATOM 0 HE2 MET A 12 11.898 5.366 0.173 1.00 4.55 H new ATOM 0 HE3 MET A 12 12.216 7.104 0.388 1.00 4.55 H new ATOM 188 N ARG A 13 9.189 8.302 4.755 1.00 1.00 N ATOM 189 CA ARG A 13 10.219 8.880 5.649 1.00 1.29 C ATOM 190 C ARG A 13 10.704 7.951 6.774 1.00 1.35 C ATOM 191 O ARG A 13 11.874 7.587 6.761 1.00 2.27 O ATOM 192 CB ARG A 13 9.793 10.252 6.229 1.00 2.13 C ATOM 193 CG ARG A 13 9.774 11.305 5.117 1.00 2.60 C ATOM 194 CD ARG A 13 9.576 12.764 5.511 1.00 3.75 C ATOM 195 NE ARG A 13 9.686 13.724 4.377 1.00 4.40 N ATOM 196 CZ ARG A 13 9.782 13.557 3.050 1.00 4.74 C ATOM 197 NH1 ARG A 13 9.779 12.403 2.403 1.00 4.77 N ATOM 198 NH2 ARG A 13 9.901 14.640 2.308 1.00 5.92 N ATOM 0 H ARG A 13 8.584 7.634 5.231 1.00 1.00 H new ATOM 0 HA ARG A 13 11.076 9.023 4.991 1.00 1.29 H new ATOM 0 HB2 ARG A 13 8.806 10.173 6.684 1.00 2.13 H new ATOM 0 HB3 ARG A 13 10.484 10.554 7.016 1.00 2.13 H new ATOM 0 HG2 ARG A 13 10.716 11.232 4.573 1.00 2.60 H new ATOM 0 HG3 ARG A 13 8.981 11.038 4.419 1.00 2.60 H new ATOM 0 HD2 ARG A 13 8.594 12.874 5.971 1.00 3.75 H new ATOM 0 HD3 ARG A 13 10.315 13.027 6.268 1.00 3.75 H new ATOM 0 HE ARG A 13 9.689 14.702 4.668 1.00 4.40 H new ATOM 0 HH11 ARG A 13 9.698 11.528 2.921 1.00 4.77 H new ATOM 0 HH12 ARG A 13 9.858 12.388 1.386 1.00 4.77 H new ATOM 0 HH21 ARG A 13 9.917 15.560 2.748 1.00 5.92 H new ATOM 0 HH22 ARG A 13 9.977 14.558 1.294 1.00 5.92 H new ATOM 212 N CYS A 14 9.869 7.581 7.760 1.00 1.52 N ATOM 213 CA CYS A 14 10.307 6.843 8.965 1.00 1.86 C ATOM 214 C CYS A 14 9.137 6.362 9.862 1.00 1.94 C ATOM 215 O CYS A 14 7.992 6.271 9.413 1.00 2.70 O ATOM 216 CB CYS A 14 11.323 7.718 9.744 1.00 2.64 C ATOM 217 SG CYS A 14 12.462 6.667 10.690 1.00 4.29 S ATOM 0 H CYS A 14 8.869 7.784 7.747 1.00 1.52 H new ATOM 0 HA CYS A 14 10.791 5.922 8.639 1.00 1.86 H new ATOM 0 HB2 CYS A 14 11.885 8.342 9.049 1.00 2.64 H new ATOM 0 HB3 CYS A 14 10.793 8.391 10.418 1.00 2.64 H new ATOM 0 HG CYS A 14 12.133 6.693 11.947 1.00 4.29 H new ATOM 223 N ALA A 15 9.438 6.078 11.134 1.00 2.18 N ATOM 224 CA ALA A 15 8.525 5.889 12.267 1.00 2.81 C ATOM 225 C ALA A 15 7.776 4.546 12.241 1.00 2.37 C ATOM 226 O ALA A 15 8.132 3.643 12.989 1.00 3.83 O ATOM 227 CB ALA A 15 7.597 7.112 12.415 1.00 3.70 C ATOM 0 H ALA A 15 10.410 5.965 11.422 1.00 2.18 H new ATOM 0 HA ALA A 15 9.133 5.826 13.170 1.00 2.81 H new ATOM 0 HB1 ALA A 15 6.925 6.959 13.259 1.00 3.70 H new ATOM 0 HB2 ALA A 15 8.197 8.006 12.587 1.00 3.70 H new ATOM 0 HB3 ALA A 15 7.012 7.237 11.504 1.00 3.70 H new ATOM 233 N ALA A 16 6.741 4.423 11.401 1.00 1.30 N ATOM 234 CA ALA A 16 5.775 3.306 11.426 1.00 1.18 C ATOM 235 C ALA A 16 4.793 3.314 10.244 1.00 0.90 C ATOM 236 O ALA A 16 4.302 2.262 9.831 1.00 1.03 O ATOM 237 CB ALA A 16 4.991 3.348 12.749 1.00 1.80 C ATOM 0 H ALA A 16 6.544 5.107 10.670 1.00 1.30 H new ATOM 0 HA ALA A 16 6.352 2.385 11.340 1.00 1.18 H new ATOM 0 HB1 ALA A 16 4.276 2.526 12.774 1.00 1.80 H new ATOM 0 HB2 ALA A 16 5.683 3.252 13.585 1.00 1.80 H new ATOM 0 HB3 ALA A 16 4.458 4.295 12.826 1.00 1.80 H new ATOM 243 N CYS A 17 4.523 4.500 9.689 1.00 0.74 N ATOM 244 CA CYS A 17 3.636 4.795 8.565 1.00 0.79 C ATOM 245 C CYS A 17 3.624 3.751 7.435 1.00 0.67 C ATOM 246 O CYS A 17 2.543 3.356 7.016 1.00 0.71 O ATOM 247 CB CYS A 17 4.065 6.175 8.059 1.00 1.15 C ATOM 248 SG CYS A 17 3.661 7.442 9.293 1.00 1.82 S ATOM 0 H CYS A 17 4.958 5.350 10.048 1.00 0.74 H new ATOM 0 HA CYS A 17 2.603 4.770 8.913 1.00 0.79 H new ATOM 0 HB2 CYS A 17 5.136 6.181 7.857 1.00 1.15 H new ATOM 0 HB3 CYS A 17 3.562 6.399 7.118 1.00 1.15 H new ATOM 0 HG CYS A 17 2.782 8.263 8.800 1.00 1.82 H new ATOM 254 N ALA A 18 4.777 3.270 6.964 1.00 0.67 N ATOM 255 CA ALA A 18 4.855 2.360 5.814 1.00 0.71 C ATOM 256 C ALA A 18 4.160 1.019 6.078 1.00 0.64 C ATOM 257 O ALA A 18 3.158 0.708 5.447 1.00 0.65 O ATOM 258 CB ALA A 18 6.322 2.177 5.431 1.00 0.85 C ATOM 0 H ALA A 18 5.685 3.500 7.368 1.00 0.67 H new ATOM 0 HA ALA A 18 4.316 2.805 4.978 1.00 0.71 H new ATOM 0 HB1 ALA A 18 6.394 1.503 4.578 1.00 0.85 H new ATOM 0 HB2 ALA A 18 6.752 3.143 5.168 1.00 0.85 H new ATOM 0 HB3 ALA A 18 6.868 1.754 6.274 1.00 0.85 H new ATOM 264 N SER A 19 4.609 0.257 7.074 1.00 0.69 N ATOM 265 CA SER A 19 3.919 -1.000 7.415 1.00 0.75 C ATOM 266 C SER A 19 2.518 -0.746 8.012 1.00 0.69 C ATOM 267 O SER A 19 1.624 -1.585 7.949 1.00 0.77 O ATOM 268 CB SER A 19 4.792 -1.872 8.324 1.00 0.97 C ATOM 269 OG SER A 19 4.305 -3.196 8.347 1.00 1.88 O ATOM 0 H SER A 19 5.424 0.473 7.649 1.00 0.69 H new ATOM 0 HA SER A 19 3.758 -1.554 6.490 1.00 0.75 H new ATOM 0 HB2 SER A 19 5.822 -1.862 7.968 1.00 0.97 H new ATOM 0 HB3 SER A 19 4.800 -1.462 9.334 1.00 0.97 H new ATOM 0 HG SER A 19 4.206 -3.524 7.429 1.00 1.88 H new ATOM 275 N SER A 20 2.244 0.464 8.509 1.00 0.64 N ATOM 276 CA SER A 20 0.872 0.894 8.797 1.00 0.70 C ATOM 277 C SER A 20 -0.071 0.905 7.573 1.00 0.65 C ATOM 278 O SER A 20 -1.276 0.720 7.765 1.00 0.67 O ATOM 279 CB SER A 20 0.887 2.258 9.494 1.00 0.85 C ATOM 280 OG SER A 20 0.803 2.098 10.899 1.00 1.37 O ATOM 0 H SER A 20 2.955 1.164 8.721 1.00 0.64 H new ATOM 0 HA SER A 20 0.454 0.140 9.463 1.00 0.70 H new ATOM 0 HB2 SER A 20 1.801 2.794 9.237 1.00 0.85 H new ATOM 0 HB3 SER A 20 0.052 2.863 9.140 1.00 0.85 H new ATOM 0 HG SER A 20 0.815 2.978 11.330 1.00 1.37 H new ATOM 286 N ILE A 21 0.433 1.061 6.337 1.00 0.64 N ATOM 287 CA ILE A 21 -0.323 0.837 5.079 1.00 0.66 C ATOM 288 C ILE A 21 -0.755 -0.623 5.020 1.00 0.68 C ATOM 289 O ILE A 21 -1.948 -0.915 5.008 1.00 0.77 O ATOM 290 CB ILE A 21 0.520 1.212 3.827 1.00 0.67 C ATOM 291 CG1 ILE A 21 0.890 2.706 3.877 1.00 0.71 C ATOM 292 CG2 ILE A 21 -0.174 0.838 2.506 1.00 0.75 C ATOM 293 CD1 ILE A 21 1.870 3.162 2.797 1.00 0.83 C ATOM 0 H ILE A 21 1.397 1.352 6.174 1.00 0.64 H new ATOM 0 HA ILE A 21 -1.200 1.484 5.075 1.00 0.66 H new ATOM 0 HB ILE A 21 1.436 0.621 3.853 1.00 0.67 H new ATOM 0 HG12 ILE A 21 -0.023 3.295 3.791 1.00 0.71 H new ATOM 0 HG13 ILE A 21 1.320 2.926 4.854 1.00 0.71 H new ATOM 0 HG21 ILE A 21 0.461 1.124 1.668 1.00 0.75 H new ATOM 0 HG22 ILE A 21 -0.349 -0.238 2.479 1.00 0.75 H new ATOM 0 HG23 ILE A 21 -1.127 1.363 2.434 1.00 0.75 H new ATOM 0 HD11 ILE A 21 2.070 4.227 2.913 1.00 0.83 H new ATOM 0 HD12 ILE A 21 2.802 2.605 2.893 1.00 0.83 H new ATOM 0 HD13 ILE A 21 1.438 2.979 1.813 1.00 0.83 H new ATOM 305 N GLU A 22 0.215 -1.537 5.063 1.00 0.63 N ATOM 306 CA GLU A 22 -0.008 -2.988 5.018 1.00 0.67 C ATOM 307 C GLU A 22 -1.013 -3.427 6.092 1.00 0.69 C ATOM 308 O GLU A 22 -1.908 -4.229 5.830 1.00 0.61 O ATOM 309 CB GLU A 22 1.320 -3.731 5.237 1.00 0.72 C ATOM 310 CG GLU A 22 2.425 -3.340 4.242 1.00 0.78 C ATOM 311 CD GLU A 22 3.763 -3.965 4.628 1.00 0.80 C ATOM 312 OE1 GLU A 22 4.141 -3.818 5.814 1.00 2.22 O ATOM 313 OE2 GLU A 22 4.427 -4.516 3.723 1.00 1.74 O ATOM 0 H GLU A 22 1.201 -1.286 5.132 1.00 0.63 H new ATOM 0 HA GLU A 22 -0.414 -3.234 4.037 1.00 0.67 H new ATOM 0 HB2 GLU A 22 1.671 -3.536 6.250 1.00 0.72 H new ATOM 0 HB3 GLU A 22 1.141 -4.804 5.163 1.00 0.72 H new ATOM 0 HG2 GLU A 22 2.146 -3.663 3.239 1.00 0.78 H new ATOM 0 HG3 GLU A 22 2.523 -2.255 4.212 1.00 0.78 H new ATOM 320 N ARG A 23 -0.920 -2.841 7.291 1.00 0.85 N ATOM 321 CA ARG A 23 -1.821 -3.081 8.416 1.00 1.00 C ATOM 322 C ARG A 23 -3.269 -2.644 8.147 1.00 1.01 C ATOM 323 O ARG A 23 -4.189 -3.266 8.679 1.00 1.07 O ATOM 324 CB ARG A 23 -1.257 -2.345 9.644 1.00 1.35 C ATOM 325 CG ARG A 23 -1.695 -2.966 10.976 1.00 1.45 C ATOM 326 CD ARG A 23 -0.980 -4.308 11.194 1.00 1.58 C ATOM 327 NE ARG A 23 -1.192 -4.828 12.557 1.00 1.90 N ATOM 328 CZ ARG A 23 -0.810 -6.025 12.994 1.00 2.20 C ATOM 329 NH1 ARG A 23 -0.182 -6.873 12.205 1.00 3.21 N ATOM 330 NH2 ARG A 23 -1.048 -6.386 14.238 1.00 2.53 N ATOM 0 H ARG A 23 -0.189 -2.164 7.509 1.00 0.85 H new ATOM 0 HA ARG A 23 -1.868 -4.157 8.587 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.168 -2.346 9.591 1.00 1.35 H new ATOM 0 HB3 ARG A 23 -1.577 -1.303 9.614 1.00 1.35 H new ATOM 0 HG2 ARG A 23 -1.466 -2.286 11.796 1.00 1.45 H new ATOM 0 HG3 ARG A 23 -2.775 -3.116 10.979 1.00 1.45 H new ATOM 0 HD2 ARG A 23 -1.343 -5.035 10.467 1.00 1.58 H new ATOM 0 HD3 ARG A 23 0.088 -4.184 11.015 1.00 1.58 H new ATOM 0 HE ARG A 23 -1.672 -4.219 13.220 1.00 1.90 H new ATOM 0 HH11 ARG A 23 0.020 -6.617 11.239 1.00 3.21 H new ATOM 0 HH12 ARG A 23 0.102 -7.786 12.561 1.00 3.21 H new ATOM 0 HH21 ARG A 23 -1.527 -5.747 14.872 1.00 2.53 H new ATOM 0 HH22 ARG A 23 -0.753 -7.305 14.568 1.00 2.53 H new ATOM 344 N ALA A 24 -3.486 -1.586 7.360 1.00 1.00 N ATOM 345 CA ALA A 24 -4.817 -1.152 6.930 1.00 1.04 C ATOM 346 C ALA A 24 -5.334 -2.018 5.769 1.00 0.89 C ATOM 347 O ALA A 24 -6.481 -2.459 5.779 1.00 0.94 O ATOM 348 CB ALA A 24 -4.759 0.334 6.543 1.00 1.18 C ATOM 0 H ALA A 24 -2.733 -1.000 7.000 1.00 1.00 H new ATOM 0 HA ALA A 24 -5.521 -1.276 7.753 1.00 1.04 H new ATOM 0 HB1 ALA A 24 -5.746 0.665 6.222 1.00 1.18 H new ATOM 0 HB2 ALA A 24 -4.442 0.922 7.404 1.00 1.18 H new ATOM 0 HB3 ALA A 24 -4.048 0.470 5.728 1.00 1.18 H new ATOM 354 N ILE A 25 -4.463 -2.352 4.811 1.00 0.73 N ATOM 355 CA ILE A 25 -4.793 -3.228 3.681 1.00 0.63 C ATOM 356 C ILE A 25 -5.129 -4.640 4.163 1.00 0.54 C ATOM 357 O ILE A 25 -6.034 -5.267 3.621 1.00 0.54 O ATOM 358 CB ILE A 25 -3.663 -3.226 2.627 1.00 0.61 C ATOM 359 CG1 ILE A 25 -3.493 -1.825 1.995 1.00 0.73 C ATOM 360 CG2 ILE A 25 -4.024 -4.265 1.559 1.00 0.71 C ATOM 361 CD1 ILE A 25 -2.312 -1.709 1.021 1.00 1.15 C ATOM 0 H ILE A 25 -3.499 -2.019 4.798 1.00 0.73 H new ATOM 0 HA ILE A 25 -5.685 -2.835 3.193 1.00 0.63 H new ATOM 0 HB ILE A 25 -2.712 -3.478 3.097 1.00 0.61 H new ATOM 0 HG12 ILE A 25 -4.410 -1.564 1.468 1.00 0.73 H new ATOM 0 HG13 ILE A 25 -3.364 -1.093 2.792 1.00 0.73 H new ATOM 0 HG21 ILE A 25 -3.245 -4.290 0.797 1.00 0.71 H new ATOM 0 HG22 ILE A 25 -4.110 -5.248 2.022 1.00 0.71 H new ATOM 0 HG23 ILE A 25 -4.974 -3.997 1.097 1.00 0.71 H new ATOM 0 HD11 ILE A 25 -2.266 -0.695 0.624 1.00 1.15 H new ATOM 0 HD12 ILE A 25 -1.384 -1.936 1.546 1.00 1.15 H new ATOM 0 HD13 ILE A 25 -2.447 -2.414 0.200 1.00 1.15 H new ATOM 373 N ALA A 26 -4.520 -5.098 5.255 1.00 0.54 N ATOM 374 CA ALA A 26 -4.859 -6.364 5.913 1.00 0.55 C ATOM 375 C ALA A 26 -6.343 -6.477 6.337 1.00 0.61 C ATOM 376 O ALA A 26 -6.781 -7.541 6.770 1.00 0.67 O ATOM 377 CB ALA A 26 -3.900 -6.563 7.093 1.00 0.61 C ATOM 0 H ALA A 26 -3.764 -4.593 5.717 1.00 0.54 H new ATOM 0 HA ALA A 26 -4.734 -7.169 5.188 1.00 0.55 H new ATOM 0 HB1 ALA A 26 -4.134 -7.500 7.598 1.00 0.61 H new ATOM 0 HB2 ALA A 26 -2.874 -6.595 6.727 1.00 0.61 H new ATOM 0 HB3 ALA A 26 -4.009 -5.736 7.794 1.00 0.61 H new ATOM 383 N LYS A 27 -7.129 -5.393 6.285 1.00 0.66 N ATOM 384 CA LYS A 27 -8.589 -5.398 6.448 1.00 0.75 C ATOM 385 C LYS A 27 -9.378 -5.563 5.128 1.00 0.63 C ATOM 386 O LYS A 27 -10.566 -5.868 5.191 1.00 0.65 O ATOM 387 CB LYS A 27 -9.023 -4.110 7.156 1.00 1.02 C ATOM 388 CG LYS A 27 -8.333 -3.817 8.497 1.00 1.44 C ATOM 389 CD LYS A 27 -8.487 -4.888 9.591 1.00 1.59 C ATOM 390 CE LYS A 27 -7.301 -5.865 9.674 1.00 2.73 C ATOM 391 NZ LYS A 27 -7.674 -7.263 9.334 1.00 4.88 N ATOM 0 H LYS A 27 -6.754 -4.458 6.123 1.00 0.66 H new ATOM 0 HA LYS A 27 -8.828 -6.277 7.047 1.00 0.75 H new ATOM 0 HB2 LYS A 27 -8.842 -3.270 6.485 1.00 1.02 H new ATOM 0 HB3 LYS A 27 -10.099 -4.156 7.325 1.00 1.02 H new ATOM 0 HG2 LYS A 27 -7.269 -3.670 8.310 1.00 1.44 H new ATOM 0 HG3 LYS A 27 -8.722 -2.875 8.883 1.00 1.44 H new ATOM 0 HD2 LYS A 27 -8.607 -4.394 10.555 1.00 1.59 H new ATOM 0 HD3 LYS A 27 -9.400 -5.454 9.406 1.00 1.59 H new ATOM 0 HE2 LYS A 27 -6.514 -5.530 8.998 1.00 2.73 H new ATOM 0 HE3 LYS A 27 -6.887 -5.840 10.682 1.00 2.73 H new ATOM 0 HZ1 LYS A 27 -7.148 -7.921 9.944 1.00 4.88 H new ATOM 0 HZ2 LYS A 27 -8.695 -7.396 9.482 1.00 4.88 H new ATOM 0 HZ3 LYS A 27 -7.441 -7.452 8.338 1.00 4.88 H new ATOM 405 N VAL A 28 -8.764 -5.364 3.963 1.00 0.58 N ATOM 406 CA VAL A 28 -9.435 -5.398 2.653 1.00 0.66 C ATOM 407 C VAL A 28 -9.729 -6.852 2.278 1.00 0.68 C ATOM 408 O VAL A 28 -8.803 -7.660 2.311 1.00 0.61 O ATOM 409 CB VAL A 28 -8.577 -4.711 1.561 1.00 0.75 C ATOM 410 CG1 VAL A 28 -9.293 -4.711 0.201 1.00 1.01 C ATOM 411 CG2 VAL A 28 -8.318 -3.242 1.947 1.00 0.98 C ATOM 0 H VAL A 28 -7.765 -5.170 3.896 1.00 0.58 H new ATOM 0 HA VAL A 28 -10.371 -4.844 2.722 1.00 0.66 H new ATOM 0 HB VAL A 28 -7.644 -5.270 1.484 1.00 0.75 H new ATOM 0 HG11 VAL A 28 -8.663 -4.221 -0.542 1.00 1.01 H new ATOM 0 HG12 VAL A 28 -9.487 -5.738 -0.108 1.00 1.01 H new ATOM 0 HG13 VAL A 28 -10.237 -4.173 0.287 1.00 1.01 H new ATOM 0 HG21 VAL A 28 -7.714 -2.764 1.176 1.00 0.98 H new ATOM 0 HG22 VAL A 28 -9.269 -2.717 2.041 1.00 0.98 H new ATOM 0 HG23 VAL A 28 -7.787 -3.204 2.898 1.00 0.98 H new ATOM 421 N PRO A 29 -10.974 -7.220 1.914 1.00 0.90 N ATOM 422 CA PRO A 29 -11.352 -8.623 1.764 1.00 1.09 C ATOM 423 C PRO A 29 -10.587 -9.343 0.646 1.00 1.24 C ATOM 424 O PRO A 29 -10.412 -10.553 0.717 1.00 2.46 O ATOM 425 CB PRO A 29 -12.867 -8.630 1.532 1.00 1.35 C ATOM 426 CG PRO A 29 -13.159 -7.231 0.992 1.00 1.38 C ATOM 427 CD PRO A 29 -12.139 -6.368 1.731 1.00 1.09 C ATOM 0 HA PRO A 29 -11.086 -9.184 2.660 1.00 1.09 H new ATOM 0 HB2 PRO A 29 -13.159 -9.402 0.821 1.00 1.35 H new ATOM 0 HB3 PRO A 29 -13.412 -8.824 2.456 1.00 1.35 H new ATOM 0 HG2 PRO A 29 -13.027 -7.178 -0.089 1.00 1.38 H new ATOM 0 HG3 PRO A 29 -14.182 -6.920 1.204 1.00 1.38 H new ATOM 0 HD2 PRO A 29 -11.888 -5.477 1.156 1.00 1.09 H new ATOM 0 HD3 PRO A 29 -12.532 -6.028 2.689 1.00 1.09 H new ATOM 435 N GLY A 30 -10.074 -8.610 -0.352 1.00 0.79 N ATOM 436 CA GLY A 30 -9.238 -9.169 -1.420 1.00 0.86 C ATOM 437 C GLY A 30 -7.744 -9.285 -1.096 1.00 0.70 C ATOM 438 O GLY A 30 -6.996 -9.681 -1.988 1.00 0.80 O ATOM 0 H GLY A 30 -10.229 -7.606 -0.440 1.00 0.79 H new ATOM 0 HA2 GLY A 30 -9.615 -10.160 -1.672 1.00 0.86 H new ATOM 0 HA3 GLY A 30 -9.352 -8.549 -2.309 1.00 0.86 H new ATOM 442 N VAL A 31 -7.301 -8.907 0.112 1.00 0.57 N ATOM 443 CA VAL A 31 -5.884 -8.963 0.535 1.00 0.54 C ATOM 444 C VAL A 31 -5.391 -10.409 0.501 1.00 0.62 C ATOM 445 O VAL A 31 -5.992 -11.304 1.095 1.00 0.71 O ATOM 446 CB VAL A 31 -5.655 -8.329 1.926 1.00 0.52 C ATOM 447 CG1 VAL A 31 -6.204 -9.120 3.129 1.00 0.92 C ATOM 448 CG2 VAL A 31 -4.158 -8.088 2.142 1.00 0.74 C ATOM 0 H VAL A 31 -7.922 -8.548 0.837 1.00 0.57 H new ATOM 0 HA VAL A 31 -5.304 -8.369 -0.171 1.00 0.54 H new ATOM 0 HB VAL A 31 -6.227 -7.402 1.900 1.00 0.52 H new ATOM 0 HG11 VAL A 31 -5.985 -8.580 4.050 1.00 0.92 H new ATOM 0 HG12 VAL A 31 -7.283 -9.238 3.025 1.00 0.92 H new ATOM 0 HG13 VAL A 31 -5.733 -10.102 3.164 1.00 0.92 H new ATOM 0 HG21 VAL A 31 -3.999 -7.641 3.123 1.00 0.74 H new ATOM 0 HG22 VAL A 31 -3.625 -9.037 2.085 1.00 0.74 H new ATOM 0 HG23 VAL A 31 -3.783 -7.414 1.372 1.00 0.74 H new ATOM 458 N GLN A 32 -4.291 -10.632 -0.209 1.00 0.83 N ATOM 459 CA GLN A 32 -3.686 -11.957 -0.316 1.00 0.91 C ATOM 460 C GLN A 32 -2.163 -11.952 -0.178 1.00 0.85 C ATOM 461 O GLN A 32 -1.591 -13.024 -0.018 1.00 1.01 O ATOM 462 CB GLN A 32 -4.182 -12.631 -1.608 1.00 1.05 C ATOM 463 CG GLN A 32 -3.697 -11.964 -2.905 1.00 1.01 C ATOM 464 CD GLN A 32 -2.611 -12.774 -3.602 1.00 1.31 C ATOM 465 OE1 GLN A 32 -2.870 -13.530 -4.528 1.00 1.83 O ATOM 466 NE2 GLN A 32 -1.369 -12.655 -3.200 1.00 1.44 N ATOM 0 H GLN A 32 -3.795 -9.905 -0.724 1.00 0.83 H new ATOM 0 HA GLN A 32 -4.013 -12.553 0.536 1.00 0.91 H new ATOM 0 HB2 GLN A 32 -3.858 -13.672 -1.607 1.00 1.05 H new ATOM 0 HB3 GLN A 32 -5.272 -12.637 -1.604 1.00 1.05 H new ATOM 0 HG2 GLN A 32 -4.541 -11.835 -3.582 1.00 1.01 H new ATOM 0 HG3 GLN A 32 -3.315 -10.969 -2.678 1.00 1.01 H new ATOM 0 HE21 GLN A 32 -1.140 -12.028 -2.429 1.00 1.44 H new ATOM 0 HE22 GLN A 32 -0.631 -13.190 -3.658 1.00 1.44 H new ATOM 475 N SER A 33 -1.483 -10.799 -0.221 1.00 0.77 N ATOM 476 CA SER A 33 -0.056 -10.644 0.139 1.00 0.95 C ATOM 477 C SER A 33 0.259 -9.145 0.195 1.00 0.76 C ATOM 478 O SER A 33 -0.195 -8.445 -0.706 1.00 0.67 O ATOM 479 CB SER A 33 0.879 -11.298 -0.900 1.00 1.26 C ATOM 480 OG SER A 33 0.758 -12.707 -0.982 1.00 2.06 O ATOM 0 H SER A 33 -1.915 -9.923 -0.514 1.00 0.77 H new ATOM 0 HA SER A 33 0.111 -11.134 1.098 1.00 0.95 H new ATOM 0 HB2 SER A 33 0.672 -10.869 -1.880 1.00 1.26 H new ATOM 0 HB3 SER A 33 1.911 -11.047 -0.654 1.00 1.26 H new ATOM 0 HG SER A 33 0.057 -13.011 -0.368 1.00 2.06 H new ATOM 486 N CYS A 34 1.028 -8.670 1.187 1.00 0.87 N ATOM 487 CA CYS A 34 1.395 -7.260 1.414 1.00 0.67 C ATOM 488 C CYS A 34 2.879 -7.153 1.797 1.00 0.79 C ATOM 489 O CYS A 34 3.275 -7.722 2.813 1.00 1.31 O ATOM 490 CB CYS A 34 0.594 -6.697 2.608 1.00 0.78 C ATOM 491 SG CYS A 34 -1.191 -6.682 2.342 1.00 0.97 S ATOM 0 H CYS A 34 1.432 -9.289 1.889 1.00 0.87 H new ATOM 0 HA CYS A 34 1.186 -6.709 0.497 1.00 0.67 H new ATOM 0 HB2 CYS A 34 0.815 -7.291 3.495 1.00 0.78 H new ATOM 0 HB3 CYS A 34 0.930 -5.681 2.813 1.00 0.78 H new ATOM 0 HG CYS A 34 -1.782 -6.197 3.393 1.00 0.97 H new ATOM 497 N GLN A 35 3.687 -6.443 1.006 1.00 0.58 N ATOM 498 CA GLN A 35 5.115 -6.272 1.260 1.00 0.62 C ATOM 499 C GLN A 35 5.586 -4.900 0.731 1.00 0.59 C ATOM 500 O GLN A 35 5.502 -4.644 -0.473 1.00 0.74 O ATOM 501 CB GLN A 35 5.936 -7.411 0.605 1.00 0.75 C ATOM 502 CG GLN A 35 5.590 -8.873 0.993 1.00 0.89 C ATOM 503 CD GLN A 35 4.292 -9.447 0.398 1.00 1.59 C ATOM 504 OE1 GLN A 35 3.593 -10.253 0.992 1.00 3.08 O ATOM 505 NE2 GLN A 35 3.871 -9.038 -0.781 1.00 1.96 N ATOM 0 H GLN A 35 3.363 -5.967 0.164 1.00 0.58 H new ATOM 0 HA GLN A 35 5.279 -6.314 2.337 1.00 0.62 H new ATOM 0 HB2 GLN A 35 5.832 -7.319 -0.476 1.00 0.75 H new ATOM 0 HB3 GLN A 35 6.987 -7.243 0.840 1.00 0.75 H new ATOM 0 HG2 GLN A 35 6.418 -9.513 0.689 1.00 0.89 H new ATOM 0 HG3 GLN A 35 5.524 -8.932 2.079 1.00 0.89 H new ATOM 0 HE21 GLN A 35 4.422 -8.365 -1.314 1.00 1.96 H new ATOM 0 HE22 GLN A 35 2.994 -9.394 -1.161 1.00 1.96 H new ATOM 514 N VAL A 36 6.094 -4.040 1.620 1.00 0.53 N ATOM 515 CA VAL A 36 6.740 -2.740 1.358 1.00 0.51 C ATOM 516 C VAL A 36 8.245 -2.773 1.681 1.00 0.52 C ATOM 517 O VAL A 36 8.674 -3.296 2.709 1.00 0.67 O ATOM 518 CB VAL A 36 6.026 -1.590 2.118 1.00 0.66 C ATOM 519 CG1 VAL A 36 6.281 -1.570 3.638 1.00 1.67 C ATOM 520 CG2 VAL A 36 6.409 -0.207 1.564 1.00 1.34 C ATOM 0 H VAL A 36 6.064 -4.246 2.619 1.00 0.53 H new ATOM 0 HA VAL A 36 6.643 -2.543 0.290 1.00 0.51 H new ATOM 0 HB VAL A 36 4.969 -1.797 1.953 1.00 0.66 H new ATOM 0 HG11 VAL A 36 5.744 -0.734 4.086 1.00 1.67 H new ATOM 0 HG12 VAL A 36 5.931 -2.504 4.078 1.00 1.67 H new ATOM 0 HG13 VAL A 36 7.349 -1.458 3.826 1.00 1.67 H new ATOM 0 HG21 VAL A 36 5.886 0.567 2.125 1.00 1.34 H new ATOM 0 HG22 VAL A 36 7.485 -0.062 1.661 1.00 1.34 H new ATOM 0 HG23 VAL A 36 6.128 -0.145 0.513 1.00 1.34 H new ATOM 530 N ASN A 37 9.058 -2.200 0.795 1.00 0.47 N ATOM 531 CA ASN A 37 10.519 -2.190 0.850 1.00 0.51 C ATOM 532 C ASN A 37 11.032 -0.794 1.218 1.00 0.56 C ATOM 533 O ASN A 37 11.185 0.085 0.364 1.00 0.57 O ATOM 534 CB ASN A 37 11.044 -2.648 -0.514 1.00 0.57 C ATOM 535 CG ASN A 37 12.565 -2.762 -0.608 1.00 0.92 C ATOM 536 OD1 ASN A 37 13.316 -1.906 -0.158 1.00 0.98 O ATOM 537 ND2 ASN A 37 13.053 -3.806 -1.252 1.00 1.43 N ATOM 0 H ASN A 37 8.698 -1.706 -0.021 1.00 0.47 H new ATOM 0 HA ASN A 37 10.880 -2.869 1.622 1.00 0.51 H new ATOM 0 HB2 ASN A 37 10.605 -3.618 -0.750 1.00 0.57 H new ATOM 0 HB3 ASN A 37 10.698 -1.948 -1.275 1.00 0.57 H new ATOM 0 HD21 ASN A 37 14.061 -3.903 -1.377 1.00 1.43 H new ATOM 0 HD22 ASN A 37 12.422 -4.516 -1.625 1.00 1.43 H new ATOM 544 N PHE A 38 11.350 -0.601 2.501 1.00 0.66 N ATOM 545 CA PHE A 38 11.745 0.691 3.068 1.00 0.72 C ATOM 546 C PHE A 38 13.215 1.082 2.791 1.00 0.78 C ATOM 547 O PHE A 38 13.936 1.524 3.682 1.00 0.96 O ATOM 548 CB PHE A 38 11.343 0.723 4.553 1.00 0.84 C ATOM 549 CG PHE A 38 10.922 2.111 4.977 1.00 1.10 C ATOM 550 CD1 PHE A 38 9.700 2.621 4.502 1.00 2.26 C ATOM 551 CD2 PHE A 38 11.769 2.920 5.757 1.00 2.42 C ATOM 552 CE1 PHE A 38 9.326 3.939 4.799 1.00 2.93 C ATOM 553 CE2 PHE A 38 11.388 4.237 6.062 1.00 2.87 C ATOM 554 CZ PHE A 38 10.166 4.741 5.582 1.00 2.65 C ATOM 0 H PHE A 38 11.340 -1.354 3.189 1.00 0.66 H new ATOM 0 HA PHE A 38 11.200 1.480 2.550 1.00 0.72 H new ATOM 0 HB2 PHE A 38 10.525 0.024 4.726 1.00 0.84 H new ATOM 0 HB3 PHE A 38 12.181 0.391 5.166 1.00 0.84 H new ATOM 0 HD1 PHE A 38 9.049 1.996 3.908 1.00 2.26 H new ATOM 0 HD2 PHE A 38 12.708 2.530 6.120 1.00 2.42 H new ATOM 0 HE1 PHE A 38 8.393 4.335 4.425 1.00 2.93 H new ATOM 0 HE2 PHE A 38 12.032 4.861 6.664 1.00 2.87 H new ATOM 0 HZ PHE A 38 9.873 5.753 5.819 1.00 2.65 H new ATOM 564 N ALA A 39 13.660 0.884 1.548 1.00 0.73 N ATOM 565 CA ALA A 39 14.991 1.240 1.047 1.00 0.80 C ATOM 566 C ALA A 39 14.984 1.517 -0.466 1.00 0.78 C ATOM 567 O ALA A 39 15.773 2.330 -0.938 1.00 0.94 O ATOM 568 CB ALA A 39 15.962 0.105 1.399 1.00 0.88 C ATOM 0 H ALA A 39 13.077 0.452 0.831 1.00 0.73 H new ATOM 0 HA ALA A 39 15.314 2.166 1.523 1.00 0.80 H new ATOM 0 HB1 ALA A 39 16.959 0.352 1.034 1.00 0.88 H new ATOM 0 HB2 ALA A 39 15.994 -0.024 2.481 1.00 0.88 H new ATOM 0 HB3 ALA A 39 15.624 -0.821 0.933 1.00 0.88 H new ATOM 574 N LEU A 40 14.093 0.861 -1.224 1.00 0.67 N ATOM 575 CA LEU A 40 13.960 0.951 -2.668 1.00 0.66 C ATOM 576 C LEU A 40 12.486 1.280 -3.051 1.00 0.55 C ATOM 577 O LEU A 40 12.003 0.949 -4.130 1.00 0.59 O ATOM 578 CB LEU A 40 14.592 -0.380 -3.148 1.00 0.70 C ATOM 579 CG LEU A 40 14.260 -0.860 -4.552 1.00 0.70 C ATOM 580 CD1 LEU A 40 14.678 0.129 -5.651 1.00 0.76 C ATOM 581 CD2 LEU A 40 14.901 -2.230 -4.813 1.00 0.79 C ATOM 0 H LEU A 40 13.413 0.221 -0.814 1.00 0.67 H new ATOM 0 HA LEU A 40 14.475 1.769 -3.173 1.00 0.66 H new ATOM 0 HB2 LEU A 40 15.675 -0.281 -3.076 1.00 0.70 H new ATOM 0 HB3 LEU A 40 14.296 -1.162 -2.449 1.00 0.70 H new ATOM 0 HG LEU A 40 13.174 -0.940 -4.598 1.00 0.70 H new ATOM 0 HD11 LEU A 40 14.411 -0.277 -6.627 1.00 0.76 H new ATOM 0 HD12 LEU A 40 14.164 1.079 -5.500 1.00 0.76 H new ATOM 0 HD13 LEU A 40 15.755 0.288 -5.607 1.00 0.76 H new ATOM 0 HD21 LEU A 40 14.655 -2.561 -5.822 1.00 0.79 H new ATOM 0 HD22 LEU A 40 15.983 -2.151 -4.711 1.00 0.79 H new ATOM 0 HD23 LEU A 40 14.521 -2.953 -4.091 1.00 0.79 H new ATOM 593 N GLU A 41 11.745 1.923 -2.142 1.00 0.58 N ATOM 594 CA GLU A 41 10.423 2.547 -2.346 1.00 0.54 C ATOM 595 C GLU A 41 9.259 1.609 -2.731 1.00 0.35 C ATOM 596 O GLU A 41 8.121 2.077 -2.727 1.00 0.33 O ATOM 597 CB GLU A 41 10.484 3.683 -3.394 1.00 0.76 C ATOM 598 CG GLU A 41 11.164 4.981 -2.944 1.00 1.05 C ATOM 599 CD GLU A 41 10.912 6.130 -3.938 1.00 1.35 C ATOM 600 OE1 GLU A 41 10.468 5.839 -5.077 1.00 2.65 O ATOM 601 OE2 GLU A 41 11.186 7.291 -3.567 1.00 1.73 O ATOM 0 H GLU A 41 12.069 2.031 -1.181 1.00 0.58 H new ATOM 0 HA GLU A 41 10.194 2.921 -1.348 1.00 0.54 H new ATOM 0 HB2 GLU A 41 11.007 3.309 -4.275 1.00 0.76 H new ATOM 0 HB3 GLU A 41 9.466 3.919 -3.704 1.00 0.76 H new ATOM 0 HG2 GLU A 41 10.793 5.264 -1.959 1.00 1.05 H new ATOM 0 HG3 GLU A 41 12.237 4.814 -2.845 1.00 1.05 H new ATOM 608 N GLN A 42 9.466 0.340 -3.115 1.00 0.34 N ATOM 609 CA GLN A 42 8.336 -0.445 -3.637 1.00 0.30 C ATOM 610 C GLN A 42 7.336 -0.823 -2.549 1.00 0.30 C ATOM 611 O GLN A 42 7.719 -1.161 -1.436 1.00 0.38 O ATOM 612 CB GLN A 42 8.694 -1.695 -4.468 1.00 0.33 C ATOM 613 CG GLN A 42 8.984 -3.034 -3.716 1.00 0.40 C ATOM 614 CD GLN A 42 10.450 -3.455 -3.602 1.00 0.50 C ATOM 615 OE1 GLN A 42 10.782 -4.506 -3.081 1.00 1.10 O ATOM 616 NE2 GLN A 42 11.416 -2.677 -4.032 1.00 0.83 N ATOM 0 H GLN A 42 10.361 -0.147 -3.078 1.00 0.34 H new ATOM 0 HA GLN A 42 7.879 0.251 -4.340 1.00 0.30 H new ATOM 0 HB2 GLN A 42 7.874 -1.876 -5.163 1.00 0.33 H new ATOM 0 HB3 GLN A 42 9.573 -1.454 -5.067 1.00 0.33 H new ATOM 0 HG2 GLN A 42 8.574 -2.954 -2.709 1.00 0.40 H new ATOM 0 HG3 GLN A 42 8.439 -3.832 -4.220 1.00 0.40 H new ATOM 0 HE21 GLN A 42 11.194 -1.786 -4.476 1.00 0.83 H new ATOM 0 HE22 GLN A 42 12.389 -2.964 -3.922 1.00 0.83 H new ATOM 625 N ALA A 43 6.074 -0.929 -2.949 1.00 0.32 N ATOM 626 CA ALA A 43 5.095 -1.819 -2.336 1.00 0.36 C ATOM 627 C ALA A 43 4.566 -2.799 -3.391 1.00 0.44 C ATOM 628 O ALA A 43 4.285 -2.403 -4.526 1.00 0.66 O ATOM 629 CB ALA A 43 3.976 -0.989 -1.692 1.00 0.46 C ATOM 0 H ALA A 43 5.695 -0.387 -3.725 1.00 0.32 H new ATOM 0 HA ALA A 43 5.558 -2.408 -1.544 1.00 0.36 H new ATOM 0 HB1 ALA A 43 3.245 -1.656 -1.234 1.00 0.46 H new ATOM 0 HB2 ALA A 43 4.400 -0.337 -0.928 1.00 0.46 H new ATOM 0 HB3 ALA A 43 3.487 -0.384 -2.455 1.00 0.46 H new ATOM 635 N VAL A 44 4.419 -4.072 -3.019 1.00 0.49 N ATOM 636 CA VAL A 44 3.735 -5.085 -3.839 1.00 0.58 C ATOM 637 C VAL A 44 2.589 -5.700 -3.053 1.00 0.66 C ATOM 638 O VAL A 44 2.781 -6.164 -1.925 1.00 0.68 O ATOM 639 CB VAL A 44 4.686 -6.157 -4.412 1.00 0.67 C ATOM 640 CG1 VAL A 44 5.523 -6.906 -3.362 1.00 0.75 C ATOM 641 CG2 VAL A 44 3.943 -7.168 -5.301 1.00 0.79 C ATOM 0 H VAL A 44 4.773 -4.436 -2.134 1.00 0.49 H new ATOM 0 HA VAL A 44 3.329 -4.574 -4.712 1.00 0.58 H new ATOM 0 HB VAL A 44 5.391 -5.586 -5.016 1.00 0.67 H new ATOM 0 HG11 VAL A 44 6.160 -7.638 -3.859 1.00 0.75 H new ATOM 0 HG12 VAL A 44 6.144 -6.195 -2.817 1.00 0.75 H new ATOM 0 HG13 VAL A 44 4.859 -7.417 -2.664 1.00 0.75 H new ATOM 0 HG21 VAL A 44 4.650 -7.905 -5.683 1.00 0.79 H new ATOM 0 HG22 VAL A 44 3.175 -7.672 -4.715 1.00 0.79 H new ATOM 0 HG23 VAL A 44 3.477 -6.645 -6.136 1.00 0.79 H new ATOM 651 N VAL A 45 1.394 -5.667 -3.653 1.00 0.79 N ATOM 652 CA VAL A 45 0.159 -6.144 -3.016 1.00 0.75 C ATOM 653 C VAL A 45 -0.854 -6.629 -4.052 1.00 0.75 C ATOM 654 O VAL A 45 -1.125 -5.945 -5.041 1.00 0.81 O ATOM 655 CB VAL A 45 -0.548 -5.067 -2.146 1.00 0.74 C ATOM 656 CG1 VAL A 45 -1.531 -5.664 -1.146 1.00 0.90 C ATOM 657 CG2 VAL A 45 0.387 -4.133 -1.354 1.00 1.04 C ATOM 0 H VAL A 45 1.255 -5.308 -4.597 1.00 0.79 H new ATOM 0 HA VAL A 45 0.483 -6.961 -2.372 1.00 0.75 H new ATOM 0 HB VAL A 45 -1.064 -4.475 -2.902 1.00 0.74 H new ATOM 0 HG11 VAL A 45 -1.993 -4.864 -0.568 1.00 0.90 H new ATOM 0 HG12 VAL A 45 -2.303 -6.218 -1.681 1.00 0.90 H new ATOM 0 HG13 VAL A 45 -1.001 -6.338 -0.473 1.00 0.90 H new ATOM 0 HG21 VAL A 45 -0.209 -3.421 -0.782 1.00 1.04 H new ATOM 0 HG22 VAL A 45 0.999 -4.724 -0.673 1.00 1.04 H new ATOM 0 HG23 VAL A 45 1.033 -3.592 -2.046 1.00 1.04 H new ATOM 667 N SER A 46 -1.514 -7.749 -3.756 1.00 0.70 N ATOM 668 CA SER A 46 -2.852 -8.034 -4.292 1.00 0.64 C ATOM 669 C SER A 46 -3.880 -7.916 -3.160 1.00 0.59 C ATOM 670 O SER A 46 -3.756 -8.587 -2.136 1.00 0.63 O ATOM 671 CB SER A 46 -2.885 -9.368 -5.060 1.00 0.85 C ATOM 672 OG SER A 46 -4.180 -9.882 -5.321 1.00 1.51 O ATOM 0 H SER A 46 -1.145 -8.478 -3.146 1.00 0.70 H new ATOM 0 HA SER A 46 -3.124 -7.293 -5.044 1.00 0.64 H new ATOM 0 HB2 SER A 46 -2.366 -9.235 -6.009 1.00 0.85 H new ATOM 0 HB3 SER A 46 -2.325 -10.110 -4.491 1.00 0.85 H new ATOM 0 HG SER A 46 -4.583 -9.390 -6.067 1.00 1.51 H new ATOM 678 N TYR A 47 -4.854 -7.012 -3.342 1.00 0.72 N ATOM 679 CA TYR A 47 -5.849 -6.609 -2.344 1.00 0.82 C ATOM 680 C TYR A 47 -7.213 -6.238 -2.956 1.00 0.94 C ATOM 681 O TYR A 47 -7.845 -5.256 -2.582 1.00 1.41 O ATOM 682 CB TYR A 47 -5.285 -5.563 -1.369 1.00 1.05 C ATOM 683 CG TYR A 47 -4.851 -4.189 -1.878 1.00 1.02 C ATOM 684 CD1 TYR A 47 -3.805 -4.049 -2.813 1.00 1.52 C ATOM 685 CD2 TYR A 47 -5.363 -3.031 -1.254 1.00 1.82 C ATOM 686 CE1 TYR A 47 -3.250 -2.784 -3.090 1.00 1.54 C ATOM 687 CE2 TYR A 47 -4.788 -1.768 -1.493 1.00 2.08 C ATOM 688 CZ TYR A 47 -3.718 -1.644 -2.406 1.00 1.47 C ATOM 689 OH TYR A 47 -3.135 -0.436 -2.640 1.00 1.79 O ATOM 0 H TYR A 47 -4.973 -6.522 -4.229 1.00 0.72 H new ATOM 0 HA TYR A 47 -6.067 -7.489 -1.739 1.00 0.82 H new ATOM 0 HB2 TYR A 47 -6.040 -5.399 -0.600 1.00 1.05 H new ATOM 0 HB3 TYR A 47 -4.422 -6.012 -0.877 1.00 1.05 H new ATOM 0 HD1 TYR A 47 -3.425 -4.922 -3.323 1.00 1.52 H new ATOM 0 HD2 TYR A 47 -6.206 -3.115 -0.585 1.00 1.82 H new ATOM 0 HE1 TYR A 47 -2.466 -2.688 -3.826 1.00 1.54 H new ATOM 0 HE2 TYR A 47 -5.165 -0.896 -0.979 1.00 2.08 H new ATOM 0 HH TYR A 47 -3.708 0.277 -2.289 1.00 1.79 H new ATOM 699 N HIS A 48 -7.663 -7.032 -3.935 1.00 0.80 N ATOM 700 CA HIS A 48 -8.780 -6.674 -4.822 1.00 0.92 C ATOM 701 C HIS A 48 -9.739 -7.853 -5.077 1.00 1.03 C ATOM 702 O HIS A 48 -9.303 -8.941 -5.472 1.00 1.33 O ATOM 703 CB HIS A 48 -8.223 -6.153 -6.160 1.00 1.15 C ATOM 704 CG HIS A 48 -7.114 -5.150 -6.021 1.00 1.26 C ATOM 705 ND1 HIS A 48 -7.301 -3.784 -5.827 1.00 1.23 N ATOM 706 CD2 HIS A 48 -5.776 -5.439 -6.001 1.00 1.45 C ATOM 707 CE1 HIS A 48 -6.070 -3.277 -5.679 1.00 1.39 C ATOM 708 NE2 HIS A 48 -5.136 -4.240 -5.783 1.00 1.55 N ATOM 0 H HIS A 48 -7.261 -7.947 -4.137 1.00 0.80 H new ATOM 0 HA HIS A 48 -9.358 -5.897 -4.322 1.00 0.92 H new ATOM 0 HB2 HIS A 48 -7.860 -7.000 -6.743 1.00 1.15 H new ATOM 0 HB3 HIS A 48 -9.037 -5.701 -6.727 1.00 1.15 H new ATOM 0 HD2 HIS A 48 -5.317 -6.408 -6.130 1.00 1.45 H new ATOM 0 HE1 HIS A 48 -5.856 -2.234 -5.500 1.00 1.39 H new ATOM 0 HE2 HIS A 48 -4.127 -4.105 -5.712 1.00 1.55 H new ATOM 716 N GLY A 49 -11.045 -7.607 -4.905 1.00 1.29 N ATOM 717 CA GLY A 49 -12.132 -8.557 -5.190 1.00 1.71 C ATOM 718 C GLY A 49 -13.460 -7.855 -5.463 1.00 1.97 C ATOM 719 O GLY A 49 -14.335 -7.875 -4.606 1.00 3.45 O ATOM 0 H GLY A 49 -11.386 -6.713 -4.552 1.00 1.29 H new ATOM 0 HA2 GLY A 49 -11.862 -9.166 -6.053 1.00 1.71 H new ATOM 0 HA3 GLY A 49 -12.249 -9.235 -4.345 1.00 1.71 H new ATOM 723 N GLU A 50 -13.573 -7.186 -6.620 1.00 1.97 N ATOM 724 CA GLU A 50 -14.765 -6.486 -7.156 1.00 2.28 C ATOM 725 C GLU A 50 -15.048 -5.140 -6.454 1.00 2.40 C ATOM 726 O GLU A 50 -15.310 -4.132 -7.112 1.00 3.37 O ATOM 727 CB GLU A 50 -15.990 -7.427 -7.157 1.00 2.69 C ATOM 728 CG GLU A 50 -17.110 -6.958 -8.092 1.00 3.99 C ATOM 729 CD GLU A 50 -18.046 -8.124 -8.416 1.00 5.06 C ATOM 730 OE1 GLU A 50 -19.001 -8.335 -7.640 1.00 5.45 O ATOM 731 OE2 GLU A 50 -17.761 -8.804 -9.424 1.00 6.29 O ATOM 0 H GLU A 50 -12.780 -7.111 -7.257 1.00 1.97 H new ATOM 0 HA GLU A 50 -14.546 -6.220 -8.190 1.00 2.28 H new ATOM 0 HB2 GLU A 50 -15.672 -8.426 -7.454 1.00 2.69 H new ATOM 0 HB3 GLU A 50 -16.381 -7.505 -6.143 1.00 2.69 H new ATOM 0 HG2 GLU A 50 -17.672 -6.150 -7.623 1.00 3.99 H new ATOM 0 HG3 GLU A 50 -16.683 -6.558 -9.012 1.00 3.99 H new ATOM 738 N THR A 51 -14.883 -5.105 -5.125 1.00 2.57 N ATOM 739 CA THR A 51 -14.854 -3.923 -4.248 1.00 3.61 C ATOM 740 C THR A 51 -14.114 -2.742 -4.883 1.00 2.80 C ATOM 741 O THR A 51 -12.924 -2.876 -5.175 1.00 2.84 O ATOM 742 CB THR A 51 -14.162 -4.292 -2.926 1.00 5.03 C ATOM 743 OG1 THR A 51 -12.906 -4.855 -3.238 1.00 6.02 O ATOM 744 CG2 THR A 51 -14.961 -5.292 -2.090 1.00 6.00 C ATOM 0 H THR A 51 -14.757 -5.966 -4.593 1.00 2.57 H new ATOM 0 HA THR A 51 -15.886 -3.616 -4.078 1.00 3.61 H new ATOM 0 HB THR A 51 -14.069 -3.384 -2.330 1.00 5.03 H new ATOM 0 HG1 THR A 51 -12.516 -4.381 -4.002 1.00 6.02 H new ATOM 0 HG21 THR A 51 -14.419 -5.512 -1.170 1.00 6.00 H new ATOM 0 HG22 THR A 51 -15.934 -4.866 -1.845 1.00 6.00 H new ATOM 0 HG23 THR A 51 -15.100 -6.212 -2.658 1.00 6.00 H new ATOM 752 N THR A 52 -14.799 -1.597 -5.023 1.00 3.36 N ATOM 753 CA THR A 52 -14.378 -0.348 -5.695 1.00 3.51 C ATOM 754 C THR A 52 -12.871 -0.058 -5.574 1.00 1.93 C ATOM 755 O THR A 52 -12.457 0.537 -4.578 1.00 2.93 O ATOM 756 CB THR A 52 -15.208 0.822 -5.150 1.00 5.79 C ATOM 757 OG1 THR A 52 -16.572 0.494 -5.281 1.00 7.29 O ATOM 758 CG2 THR A 52 -14.977 2.120 -5.927 1.00 6.56 C ATOM 0 H THR A 52 -15.740 -1.509 -4.639 1.00 3.36 H new ATOM 0 HA THR A 52 -14.562 -0.476 -6.762 1.00 3.51 H new ATOM 0 HB THR A 52 -14.909 0.981 -4.114 1.00 5.79 H new ATOM 0 HG1 THR A 52 -17.120 1.230 -4.936 1.00 7.29 H new ATOM 0 HG21 THR A 52 -15.589 2.914 -5.499 1.00 6.56 H new ATOM 0 HG22 THR A 52 -13.925 2.399 -5.865 1.00 6.56 H new ATOM 0 HG23 THR A 52 -15.252 1.973 -6.971 1.00 6.56 H new ATOM 766 N PRO A 53 -12.047 -0.409 -6.585 1.00 1.62 N ATOM 767 CA PRO A 53 -10.589 -0.431 -6.460 1.00 2.33 C ATOM 768 C PRO A 53 -9.930 0.955 -6.403 1.00 1.91 C ATOM 769 O PRO A 53 -8.710 1.033 -6.332 1.00 2.13 O ATOM 770 CB PRO A 53 -10.092 -1.280 -7.636 1.00 4.62 C ATOM 771 CG PRO A 53 -11.170 -1.080 -8.697 1.00 5.19 C ATOM 772 CD PRO A 53 -12.445 -0.991 -7.862 1.00 3.54 C ATOM 0 HA PRO A 53 -10.303 -0.860 -5.500 1.00 2.33 H new ATOM 0 HB2 PRO A 53 -9.115 -0.947 -7.988 1.00 4.62 H new ATOM 0 HB3 PRO A 53 -9.990 -2.329 -7.359 1.00 4.62 H new ATOM 0 HG2 PRO A 53 -11.003 -0.174 -9.279 1.00 5.19 H new ATOM 0 HG3 PRO A 53 -11.204 -1.911 -9.402 1.00 5.19 H new ATOM 0 HD2 PRO A 53 -13.194 -0.372 -8.357 1.00 3.54 H new ATOM 0 HD3 PRO A 53 -12.889 -1.976 -7.721 1.00 3.54 H new ATOM 780 N GLN A 54 -10.694 2.053 -6.373 1.00 1.70 N ATOM 781 CA GLN A 54 -10.155 3.370 -6.011 1.00 1.51 C ATOM 782 C GLN A 54 -9.620 3.352 -4.567 1.00 1.37 C ATOM 783 O GLN A 54 -8.580 3.951 -4.296 1.00 1.35 O ATOM 784 CB GLN A 54 -11.239 4.450 -6.206 1.00 1.81 C ATOM 785 CG GLN A 54 -11.787 4.477 -7.648 1.00 3.89 C ATOM 786 CD GLN A 54 -12.744 5.635 -7.941 1.00 4.15 C ATOM 787 OE1 GLN A 54 -12.537 6.417 -8.848 1.00 4.06 O ATOM 788 NE2 GLN A 54 -13.842 5.787 -7.227 1.00 5.15 N ATOM 0 H GLN A 54 -11.689 2.056 -6.595 1.00 1.70 H new ATOM 0 HA GLN A 54 -9.318 3.612 -6.666 1.00 1.51 H new ATOM 0 HB2 GLN A 54 -12.059 4.268 -5.512 1.00 1.81 H new ATOM 0 HB3 GLN A 54 -10.824 5.427 -5.959 1.00 1.81 H new ATOM 0 HG2 GLN A 54 -10.948 4.531 -8.341 1.00 3.89 H new ATOM 0 HG3 GLN A 54 -12.303 3.537 -7.845 1.00 3.89 H new ATOM 0 HE21 GLN A 54 -14.044 5.147 -6.459 1.00 5.15 H new ATOM 0 HE22 GLN A 54 -14.490 6.545 -7.443 1.00 5.15 H new ATOM 797 N ILE A 55 -10.267 2.572 -3.686 1.00 1.43 N ATOM 798 CA ILE A 55 -9.948 2.394 -2.253 1.00 1.47 C ATOM 799 C ILE A 55 -8.537 1.811 -2.035 1.00 1.27 C ATOM 800 O ILE A 55 -7.990 1.873 -0.932 1.00 1.36 O ATOM 801 CB ILE A 55 -11.084 1.563 -1.591 1.00 1.77 C ATOM 802 CG1 ILE A 55 -12.438 2.315 -1.710 1.00 2.08 C ATOM 803 CG2 ILE A 55 -10.804 1.246 -0.107 1.00 1.95 C ATOM 804 CD1 ILE A 55 -13.670 1.481 -1.331 1.00 2.80 C ATOM 0 H ILE A 55 -11.074 2.015 -3.967 1.00 1.43 H new ATOM 0 HA ILE A 55 -9.910 3.365 -1.760 1.00 1.47 H new ATOM 0 HB ILE A 55 -11.131 0.615 -2.127 1.00 1.77 H new ATOM 0 HG12 ILE A 55 -12.404 3.199 -1.073 1.00 2.08 H new ATOM 0 HG13 ILE A 55 -12.555 2.665 -2.736 1.00 2.08 H new ATOM 0 HG21 ILE A 55 -11.630 0.665 0.303 1.00 1.95 H new ATOM 0 HG22 ILE A 55 -9.881 0.672 -0.025 1.00 1.95 H new ATOM 0 HG23 ILE A 55 -10.703 2.177 0.451 1.00 1.95 H new ATOM 0 HD11 ILE A 55 -14.569 2.087 -1.444 1.00 2.80 H new ATOM 0 HD12 ILE A 55 -13.735 0.610 -1.984 1.00 2.80 H new ATOM 0 HD13 ILE A 55 -13.582 1.152 -0.295 1.00 2.80 H new ATOM 816 N LEU A 56 -7.897 1.296 -3.096 1.00 1.12 N ATOM 817 CA LEU A 56 -6.493 0.894 -3.055 1.00 1.03 C ATOM 818 C LEU A 56 -5.579 2.054 -2.634 1.00 0.95 C ATOM 819 O LEU A 56 -4.560 1.813 -1.983 1.00 1.18 O ATOM 820 CB LEU A 56 -6.091 0.207 -4.386 1.00 1.10 C ATOM 821 CG LEU A 56 -5.599 1.065 -5.581 1.00 1.18 C ATOM 822 CD1 LEU A 56 -4.142 1.554 -5.452 1.00 1.46 C ATOM 823 CD2 LEU A 56 -5.630 0.217 -6.865 1.00 1.75 C ATOM 0 H LEU A 56 -8.342 1.149 -4.002 1.00 1.12 H new ATOM 0 HA LEU A 56 -6.357 0.145 -2.275 1.00 1.03 H new ATOM 0 HB2 LEU A 56 -5.304 -0.511 -4.156 1.00 1.10 H new ATOM 0 HB3 LEU A 56 -6.953 -0.364 -4.730 1.00 1.10 H new ATOM 0 HG LEU A 56 -6.265 1.928 -5.603 1.00 1.18 H new ATOM 0 HD11 LEU A 56 -3.878 2.146 -6.328 1.00 1.46 H new ATOM 0 HD12 LEU A 56 -4.042 2.167 -4.556 1.00 1.46 H new ATOM 0 HD13 LEU A 56 -3.475 0.695 -5.380 1.00 1.46 H new ATOM 0 HD21 LEU A 56 -5.285 0.818 -7.706 1.00 1.75 H new ATOM 0 HD22 LEU A 56 -4.978 -0.648 -6.745 1.00 1.75 H new ATOM 0 HD23 LEU A 56 -6.649 -0.120 -7.054 1.00 1.75 H new ATOM 835 N THR A 57 -5.942 3.286 -3.028 1.00 0.82 N ATOM 836 CA THR A 57 -5.178 4.519 -2.785 1.00 0.82 C ATOM 837 C THR A 57 -5.391 5.055 -1.378 1.00 0.74 C ATOM 838 O THR A 57 -4.406 5.312 -0.685 1.00 0.73 O ATOM 839 CB THR A 57 -5.466 5.596 -3.842 1.00 1.01 C ATOM 840 OG1 THR A 57 -6.812 6.009 -3.861 1.00 2.55 O ATOM 841 CG2 THR A 57 -5.107 5.129 -5.252 1.00 2.28 C ATOM 0 H THR A 57 -6.806 3.456 -3.543 1.00 0.82 H new ATOM 0 HA THR A 57 -4.125 4.252 -2.875 1.00 0.82 H new ATOM 0 HB THR A 57 -4.837 6.437 -3.549 1.00 1.01 H new ATOM 0 HG1 THR A 57 -7.386 5.243 -4.068 1.00 2.55 H new ATOM 0 HG21 THR A 57 -5.328 5.923 -5.965 1.00 2.28 H new ATOM 0 HG22 THR A 57 -4.045 4.887 -5.296 1.00 2.28 H new ATOM 0 HG23 THR A 57 -5.692 4.244 -5.502 1.00 2.28 H new ATOM 849 N ASP A 58 -6.637 5.125 -0.913 1.00 0.74 N ATOM 850 CA ASP A 58 -7.028 5.559 0.434 1.00 0.78 C ATOM 851 C ASP A 58 -6.126 4.950 1.524 1.00 0.72 C ATOM 852 O ASP A 58 -5.737 5.622 2.481 1.00 0.81 O ATOM 853 CB ASP A 58 -8.489 5.137 0.694 1.00 0.88 C ATOM 854 CG ASP A 58 -9.533 5.703 -0.285 1.00 2.46 C ATOM 855 OD1 ASP A 58 -9.317 5.599 -1.516 1.00 4.01 O ATOM 856 OD2 ASP A 58 -10.595 6.146 0.204 1.00 3.12 O ATOM 0 H ASP A 58 -7.440 4.870 -1.488 1.00 0.74 H new ATOM 0 HA ASP A 58 -6.921 6.643 0.480 1.00 0.78 H new ATOM 0 HB2 ASP A 58 -8.544 4.049 0.665 1.00 0.88 H new ATOM 0 HB3 ASP A 58 -8.762 5.443 1.704 1.00 0.88 H new ATOM 861 N ALA A 59 -5.723 3.688 1.341 1.00 0.68 N ATOM 862 CA ALA A 59 -4.873 2.956 2.271 1.00 0.74 C ATOM 863 C ALA A 59 -3.377 3.315 2.260 1.00 0.74 C ATOM 864 O ALA A 59 -2.708 3.025 3.254 1.00 0.85 O ATOM 865 CB ALA A 59 -5.117 1.458 2.060 1.00 0.90 C ATOM 0 H ALA A 59 -5.987 3.140 0.522 1.00 0.68 H new ATOM 0 HA ALA A 59 -5.167 3.266 3.274 1.00 0.74 H new ATOM 0 HB1 ALA A 59 -4.491 0.887 2.746 1.00 0.90 H new ATOM 0 HB2 ALA A 59 -6.166 1.230 2.251 1.00 0.90 H new ATOM 0 HB3 ALA A 59 -4.868 1.190 1.033 1.00 0.90 H new ATOM 871 N VAL A 60 -2.857 3.953 1.207 1.00 0.71 N ATOM 872 CA VAL A 60 -1.540 4.622 1.273 1.00 0.68 C ATOM 873 C VAL A 60 -1.657 5.987 1.953 1.00 0.68 C ATOM 874 O VAL A 60 -0.869 6.308 2.845 1.00 0.84 O ATOM 875 CB VAL A 60 -0.798 4.721 -0.082 1.00 0.68 C ATOM 876 CG1 VAL A 60 -0.538 3.319 -0.665 1.00 2.01 C ATOM 877 CG2 VAL A 60 -1.399 5.587 -1.199 1.00 1.84 C ATOM 0 H VAL A 60 -3.319 4.024 0.301 1.00 0.71 H new ATOM 0 HA VAL A 60 -0.912 3.974 1.884 1.00 0.68 H new ATOM 0 HB VAL A 60 0.107 5.250 0.215 1.00 0.68 H new ATOM 0 HG11 VAL A 60 -0.016 3.412 -1.617 1.00 2.01 H new ATOM 0 HG12 VAL A 60 0.074 2.744 0.030 1.00 2.01 H new ATOM 0 HG13 VAL A 60 -1.488 2.808 -0.821 1.00 2.01 H new ATOM 0 HG21 VAL A 60 -0.755 5.546 -2.078 1.00 1.84 H new ATOM 0 HG22 VAL A 60 -2.389 5.212 -1.457 1.00 1.84 H new ATOM 0 HG23 VAL A 60 -1.480 6.619 -0.856 1.00 1.84 H new ATOM 887 N GLU A 61 -2.712 6.734 1.621 1.00 0.62 N ATOM 888 CA GLU A 61 -2.966 8.085 2.151 1.00 0.68 C ATOM 889 C GLU A 61 -3.140 8.066 3.683 1.00 0.74 C ATOM 890 O GLU A 61 -2.616 8.931 4.386 1.00 0.87 O ATOM 891 CB GLU A 61 -4.192 8.708 1.461 1.00 0.71 C ATOM 892 CG GLU A 61 -4.019 8.928 -0.053 1.00 1.38 C ATOM 893 CD GLU A 61 -2.908 9.924 -0.396 1.00 1.36 C ATOM 894 OE1 GLU A 61 -2.887 11.029 0.195 1.00 2.01 O ATOM 895 OE2 GLU A 61 -2.065 9.616 -1.269 1.00 2.23 O ATOM 0 H GLU A 61 -3.428 6.417 0.967 1.00 0.62 H new ATOM 0 HA GLU A 61 -2.096 8.704 1.932 1.00 0.68 H new ATOM 0 HB2 GLU A 61 -5.055 8.063 1.627 1.00 0.71 H new ATOM 0 HB3 GLU A 61 -4.413 9.665 1.933 1.00 0.71 H new ATOM 0 HG2 GLU A 61 -3.801 7.972 -0.530 1.00 1.38 H new ATOM 0 HG3 GLU A 61 -4.960 9.285 -0.471 1.00 1.38 H new ATOM 902 N ARG A 62 -3.737 6.991 4.218 1.00 0.73 N ATOM 903 CA ARG A 62 -3.763 6.593 5.641 1.00 0.87 C ATOM 904 C ARG A 62 -2.441 6.780 6.407 1.00 0.84 C ATOM 905 O ARG A 62 -2.452 6.863 7.641 1.00 0.94 O ATOM 906 CB ARG A 62 -4.185 5.108 5.661 1.00 0.98 C ATOM 907 CG ARG A 62 -4.026 4.337 6.983 1.00 1.47 C ATOM 908 CD ARG A 62 -2.613 3.756 7.230 1.00 1.13 C ATOM 909 NE ARG A 62 -2.538 3.078 8.529 1.00 1.45 N ATOM 910 CZ ARG A 62 -2.427 3.643 9.726 1.00 1.22 C ATOM 911 NH1 ARG A 62 -2.451 4.953 9.890 1.00 1.72 N ATOM 912 NH2 ARG A 62 -2.260 2.874 10.781 1.00 1.95 N ATOM 0 H ARG A 62 -4.249 6.330 3.633 1.00 0.73 H new ATOM 0 HA ARG A 62 -4.458 7.251 6.162 1.00 0.87 H new ATOM 0 HB2 ARG A 62 -5.232 5.053 5.365 1.00 0.98 H new ATOM 0 HB3 ARG A 62 -3.610 4.586 4.897 1.00 0.98 H new ATOM 0 HG2 ARG A 62 -4.279 5.003 7.808 1.00 1.47 H new ATOM 0 HG3 ARG A 62 -4.747 3.520 7.000 1.00 1.47 H new ATOM 0 HD2 ARG A 62 -2.362 3.054 6.435 1.00 1.13 H new ATOM 0 HD3 ARG A 62 -1.875 4.558 7.192 1.00 1.13 H new ATOM 0 HE ARG A 62 -2.575 2.059 8.511 1.00 1.45 H new ATOM 0 HH11 ARG A 62 -2.558 5.566 9.082 1.00 1.72 H new ATOM 0 HH12 ARG A 62 -2.363 5.352 10.825 1.00 1.72 H new ATOM 0 HH21 ARG A 62 -2.218 1.861 10.672 1.00 1.95 H new ATOM 0 HH22 ARG A 62 -2.173 3.291 11.708 1.00 1.95 H new ATOM 926 N ALA A 63 -1.300 6.684 5.726 1.00 0.79 N ATOM 927 CA ALA A 63 0.037 6.754 6.308 1.00 0.90 C ATOM 928 C ALA A 63 0.736 8.108 6.106 1.00 0.98 C ATOM 929 O ALA A 63 1.808 8.303 6.682 1.00 1.13 O ATOM 930 CB ALA A 63 0.842 5.621 5.674 1.00 0.96 C ATOM 0 H ALA A 63 -1.282 6.550 4.715 1.00 0.79 H new ATOM 0 HA ALA A 63 -0.038 6.649 7.390 1.00 0.90 H new ATOM 0 HB1 ALA A 63 1.856 5.626 6.075 1.00 0.96 H new ATOM 0 HB2 ALA A 63 0.367 4.666 5.900 1.00 0.96 H new ATOM 0 HB3 ALA A 63 0.879 5.761 4.594 1.00 0.96 H new ATOM 936 N GLY A 64 0.168 9.001 5.286 1.00 0.95 N ATOM 937 CA GLY A 64 0.788 10.237 4.808 1.00 1.05 C ATOM 938 C GLY A 64 1.589 10.006 3.529 1.00 1.05 C ATOM 939 O GLY A 64 2.163 10.948 2.984 1.00 1.10 O ATOM 0 H GLY A 64 -0.777 8.874 4.924 1.00 0.95 H new ATOM 0 HA2 GLY A 64 0.016 10.985 4.625 1.00 1.05 H new ATOM 0 HA3 GLY A 64 1.443 10.639 5.581 1.00 1.05 H new ATOM 943 N TYR A 65 1.665 8.758 3.050 1.00 1.07 N ATOM 944 CA TYR A 65 2.513 8.376 1.926 1.00 1.06 C ATOM 945 C TYR A 65 1.674 8.121 0.664 1.00 1.11 C ATOM 946 O TYR A 65 0.536 7.667 0.737 1.00 1.58 O ATOM 947 CB TYR A 65 3.408 7.189 2.319 1.00 1.09 C ATOM 948 CG TYR A 65 4.315 7.349 3.545 1.00 1.14 C ATOM 949 CD1 TYR A 65 4.608 8.617 4.098 1.00 1.87 C ATOM 950 CD2 TYR A 65 4.915 6.207 4.122 1.00 2.54 C ATOM 951 CE1 TYR A 65 5.427 8.746 5.232 1.00 1.99 C ATOM 952 CE2 TYR A 65 5.782 6.331 5.230 1.00 2.62 C ATOM 953 CZ TYR A 65 6.022 7.602 5.800 1.00 1.45 C ATOM 954 OH TYR A 65 6.832 7.738 6.884 1.00 1.66 O ATOM 0 H TYR A 65 1.132 7.981 3.440 1.00 1.07 H new ATOM 0 HA TYR A 65 3.179 9.202 1.676 1.00 1.06 H new ATOM 0 HB2 TYR A 65 2.764 6.327 2.490 1.00 1.09 H new ATOM 0 HB3 TYR A 65 4.040 6.950 1.464 1.00 1.09 H new ATOM 0 HD1 TYR A 65 4.194 9.503 3.640 1.00 1.87 H new ATOM 0 HD2 TYR A 65 4.708 5.230 3.712 1.00 2.54 H new ATOM 0 HE1 TYR A 65 5.600 9.719 5.667 1.00 1.99 H new ATOM 0 HE2 TYR A 65 6.261 5.455 5.642 1.00 2.62 H new ATOM 0 HH TYR A 65 7.163 6.857 7.157 1.00 1.66 H new ATOM 964 N HIS A 66 2.216 8.478 -0.499 1.00 0.75 N ATOM 965 CA HIS A 66 1.498 8.567 -1.777 1.00 0.68 C ATOM 966 C HIS A 66 1.930 7.442 -2.711 1.00 0.60 C ATOM 967 O HIS A 66 3.072 7.000 -2.669 1.00 0.70 O ATOM 968 CB HIS A 66 1.775 9.944 -2.412 1.00 0.80 C ATOM 969 CG HIS A 66 0.837 11.027 -1.939 1.00 0.90 C ATOM 970 ND1 HIS A 66 -0.037 11.724 -2.751 1.00 1.67 N ATOM 971 CD2 HIS A 66 0.494 11.292 -0.641 1.00 1.94 C ATOM 972 CE1 HIS A 66 -0.917 12.362 -1.960 1.00 1.66 C ATOM 973 NE2 HIS A 66 -0.617 12.111 -0.672 1.00 1.61 N ATOM 0 H HIS A 66 3.203 8.723 -0.584 1.00 0.75 H new ATOM 0 HA HIS A 66 0.427 8.460 -1.603 1.00 0.68 H new ATOM 0 HB2 HIS A 66 2.800 10.239 -2.187 1.00 0.80 H new ATOM 0 HB3 HIS A 66 1.699 9.857 -3.496 1.00 0.80 H new ATOM 0 HD2 HIS A 66 0.998 10.929 0.242 1.00 1.94 H new ATOM 0 HE1 HIS A 66 -1.735 12.978 -2.303 1.00 1.66 H new ATOM 0 HE2 HIS A 66 -1.123 12.465 0.140 1.00 1.61 H new ATOM 982 N ALA A 67 1.065 7.009 -3.622 1.00 0.61 N ATOM 983 CA ALA A 67 1.383 5.933 -4.566 1.00 0.65 C ATOM 984 C ALA A 67 2.134 6.459 -5.811 1.00 0.70 C ATOM 985 O ALA A 67 1.650 7.365 -6.488 1.00 0.91 O ATOM 986 CB ALA A 67 0.064 5.249 -4.948 1.00 0.75 C ATOM 0 H ALA A 67 0.125 7.390 -3.730 1.00 0.61 H new ATOM 0 HA ALA A 67 2.057 5.216 -4.098 1.00 0.65 H new ATOM 0 HB1 ALA A 67 0.264 4.441 -5.652 1.00 0.75 H new ATOM 0 HB2 ALA A 67 -0.408 4.843 -4.053 1.00 0.75 H new ATOM 0 HB3 ALA A 67 -0.602 5.977 -5.411 1.00 0.75 H new ATOM 992 N ARG A 68 3.297 5.870 -6.124 1.00 0.66 N ATOM 993 CA ARG A 68 4.190 6.256 -7.230 1.00 0.73 C ATOM 994 C ARG A 68 4.186 5.219 -8.347 1.00 0.60 C ATOM 995 O ARG A 68 4.467 4.039 -8.140 1.00 0.69 O ATOM 996 CB ARG A 68 5.616 6.374 -6.685 1.00 1.13 C ATOM 997 CG ARG A 68 6.779 6.664 -7.635 1.00 1.19 C ATOM 998 CD ARG A 68 6.664 8.010 -8.359 1.00 1.97 C ATOM 999 NE ARG A 68 8.000 8.568 -8.616 1.00 2.23 N ATOM 1000 CZ ARG A 68 8.383 9.832 -8.460 1.00 2.94 C ATOM 1001 NH1 ARG A 68 7.545 10.821 -8.243 1.00 3.80 N ATOM 1002 NH2 ARG A 68 9.668 10.115 -8.498 1.00 3.61 N ATOM 0 H ARG A 68 3.658 5.078 -5.592 1.00 0.66 H new ATOM 0 HA ARG A 68 3.837 7.203 -7.639 1.00 0.73 H new ATOM 0 HB2 ARG A 68 5.610 7.161 -5.931 1.00 1.13 H new ATOM 0 HB3 ARG A 68 5.844 5.441 -6.170 1.00 1.13 H new ATOM 0 HG2 ARG A 68 7.711 6.644 -7.070 1.00 1.19 H new ATOM 0 HG3 ARG A 68 6.838 5.867 -8.376 1.00 1.19 H new ATOM 0 HD2 ARG A 68 6.130 7.880 -9.300 1.00 1.97 H new ATOM 0 HD3 ARG A 68 6.082 8.706 -7.756 1.00 1.97 H new ATOM 0 HE ARG A 68 8.709 7.915 -8.950 1.00 2.23 H new ATOM 0 HH11 ARG A 68 6.543 10.638 -8.187 1.00 3.80 H new ATOM 0 HH12 ARG A 68 7.896 11.772 -8.131 1.00 3.80 H new ATOM 0 HH21 ARG A 68 10.350 9.371 -8.645 1.00 3.61 H new ATOM 0 HH22 ARG A 68 9.982 11.078 -8.380 1.00 3.61 H new ATOM 1016 N VAL A 69 3.974 5.691 -9.563 1.00 0.71 N ATOM 1017 CA VAL A 69 4.160 4.919 -10.779 1.00 0.83 C ATOM 1018 C VAL A 69 5.641 4.652 -11.031 1.00 0.88 C ATOM 1019 O VAL A 69 6.453 5.574 -11.081 1.00 1.16 O ATOM 1020 CB VAL A 69 3.513 5.640 -11.978 1.00 1.33 C ATOM 1021 CG1 VAL A 69 2.003 5.360 -12.010 1.00 1.62 C ATOM 1022 CG2 VAL A 69 3.753 7.163 -12.026 1.00 2.52 C ATOM 0 H VAL A 69 3.660 6.646 -9.736 1.00 0.71 H new ATOM 0 HA VAL A 69 3.666 3.955 -10.655 1.00 0.83 H new ATOM 0 HB VAL A 69 4.008 5.231 -12.859 1.00 1.33 H new ATOM 0 HG11 VAL A 69 1.556 5.874 -12.861 1.00 1.62 H new ATOM 0 HG12 VAL A 69 1.834 4.287 -12.104 1.00 1.62 H new ATOM 0 HG13 VAL A 69 1.547 5.720 -11.088 1.00 1.62 H new ATOM 0 HG21 VAL A 69 3.260 7.582 -12.903 1.00 2.52 H new ATOM 0 HG22 VAL A 69 3.345 7.624 -11.126 1.00 2.52 H new ATOM 0 HG23 VAL A 69 4.823 7.361 -12.082 1.00 2.52 H new ATOM 1032 N LEU A 70 5.958 3.367 -11.189 1.00 0.84 N ATOM 1033 CA LEU A 70 7.281 2.871 -11.549 1.00 1.03 C ATOM 1034 C LEU A 70 7.344 2.504 -13.038 1.00 1.08 C ATOM 1035 O LEU A 70 6.322 2.190 -13.646 1.00 1.45 O ATOM 1036 CB LEU A 70 7.663 1.731 -10.585 1.00 1.14 C ATOM 1037 CG LEU A 70 6.869 0.401 -10.567 1.00 1.20 C ATOM 1038 CD1 LEU A 70 7.076 -0.483 -11.808 1.00 1.60 C ATOM 1039 CD2 LEU A 70 7.330 -0.411 -9.344 1.00 1.39 C ATOM 0 H LEU A 70 5.275 2.619 -11.065 1.00 0.84 H new ATOM 0 HA LEU A 70 8.035 3.649 -11.430 1.00 1.03 H new ATOM 0 HB2 LEU A 70 8.704 1.478 -10.786 1.00 1.14 H new ATOM 0 HB3 LEU A 70 7.623 2.140 -9.575 1.00 1.14 H new ATOM 0 HG LEU A 70 5.814 0.673 -10.540 1.00 1.20 H new ATOM 0 HD11 LEU A 70 6.483 -1.392 -11.710 1.00 1.60 H new ATOM 0 HD12 LEU A 70 6.762 0.061 -12.699 1.00 1.60 H new ATOM 0 HD13 LEU A 70 8.130 -0.745 -11.896 1.00 1.60 H new ATOM 0 HD21 LEU A 70 6.785 -1.354 -9.307 1.00 1.39 H new ATOM 0 HD22 LEU A 70 8.399 -0.612 -9.422 1.00 1.39 H new ATOM 0 HD23 LEU A 70 7.133 0.157 -8.435 1.00 1.39 H new ATOM 1051 N LYS A 71 8.536 2.511 -13.643 1.00 1.59 N ATOM 1052 CA LYS A 71 8.725 2.148 -15.056 1.00 1.82 C ATOM 1053 C LYS A 71 10.202 1.918 -15.414 1.00 2.66 C ATOM 1054 O LYS A 71 11.072 2.714 -15.078 1.00 3.58 O ATOM 1055 CB LYS A 71 8.098 3.227 -15.979 1.00 2.52 C ATOM 1056 CG LYS A 71 8.228 2.979 -17.496 1.00 3.58 C ATOM 1057 CD LYS A 71 7.578 1.688 -18.030 1.00 4.41 C ATOM 1058 CE LYS A 71 6.053 1.687 -17.870 1.00 4.62 C ATOM 1059 NZ LYS A 71 5.454 0.456 -18.445 1.00 5.74 N ATOM 0 H LYS A 71 9.401 2.769 -13.168 1.00 1.59 H new ATOM 0 HA LYS A 71 8.212 1.200 -15.215 1.00 1.82 H new ATOM 0 HB2 LYS A 71 7.039 3.315 -15.735 1.00 2.52 H new ATOM 0 HB3 LYS A 71 8.559 4.187 -15.747 1.00 2.52 H new ATOM 0 HG2 LYS A 71 7.788 3.827 -18.021 1.00 3.58 H new ATOM 0 HG3 LYS A 71 9.288 2.961 -17.751 1.00 3.58 H new ATOM 0 HD2 LYS A 71 7.829 1.568 -19.084 1.00 4.41 H new ATOM 0 HD3 LYS A 71 7.996 0.830 -17.503 1.00 4.41 H new ATOM 0 HE2 LYS A 71 5.795 1.761 -16.813 1.00 4.62 H new ATOM 0 HE3 LYS A 71 5.632 2.564 -18.363 1.00 4.62 H new ATOM 0 HZ1 LYS A 71 4.424 0.575 -18.524 1.00 5.74 H new ATOM 0 HZ2 LYS A 71 5.856 0.282 -19.388 1.00 5.74 H new ATOM 0 HZ3 LYS A 71 5.662 -0.353 -17.826 1.00 5.74 H new ATOM 1073 N GLN A 72 10.446 0.882 -16.211 1.00 2.89 N ATOM 1074 CA GLN A 72 11.615 0.685 -17.060 1.00 3.88 C ATOM 1075 C GLN A 72 11.127 -0.152 -18.256 1.00 3.92 C ATOM 1076 O GLN A 72 10.152 -0.891 -18.112 1.00 4.22 O ATOM 1077 CB GLN A 72 12.715 -0.016 -16.246 1.00 4.86 C ATOM 1078 CG GLN A 72 14.058 -0.101 -16.985 1.00 5.91 C ATOM 1079 CD GLN A 72 15.121 -0.748 -16.101 1.00 6.84 C ATOM 1080 OE1 GLN A 72 15.214 -1.957 -16.006 1.00 7.42 O ATOM 1081 NE2 GLN A 72 15.935 0.018 -15.408 1.00 7.54 N ATOM 0 H GLN A 72 9.788 0.106 -16.285 1.00 2.89 H new ATOM 0 HA GLN A 72 12.050 1.617 -17.421 1.00 3.88 H new ATOM 0 HB2 GLN A 72 12.858 0.518 -15.307 1.00 4.86 H new ATOM 0 HB3 GLN A 72 12.384 -1.023 -15.992 1.00 4.86 H new ATOM 0 HG2 GLN A 72 13.939 -0.680 -17.901 1.00 5.91 H new ATOM 0 HG3 GLN A 72 14.381 0.898 -17.279 1.00 5.91 H new ATOM 0 HE21 GLN A 72 15.865 1.033 -15.480 1.00 7.54 H new ATOM 0 HE22 GLN A 72 16.636 -0.403 -14.798 1.00 7.54 H new ATOM 1090 N GLN A 73 11.742 -0.027 -19.437 1.00 4.33 N ATOM 1091 CA GLN A 73 11.354 -0.761 -20.647 1.00 4.49 C ATOM 1092 C GLN A 73 12.364 -0.461 -21.758 1.00 5.43 C ATOM 1093 O GLN A 73 12.604 0.707 -22.030 1.00 5.90 O ATOM 1094 CB GLN A 73 9.931 -0.355 -21.114 1.00 4.21 C ATOM 1095 CG GLN A 73 8.928 -1.518 -21.105 1.00 4.86 C ATOM 1096 CD GLN A 73 7.524 -1.046 -21.486 1.00 5.57 C ATOM 1097 OE1 GLN A 73 6.760 -0.560 -20.657 1.00 5.94 O ATOM 1098 NE2 GLN A 73 7.132 -1.135 -22.742 1.00 6.57 N ATOM 0 H GLN A 73 12.536 0.597 -19.582 1.00 4.33 H new ATOM 0 HA GLN A 73 11.346 -1.828 -20.422 1.00 4.49 H new ATOM 0 HB2 GLN A 73 9.559 0.440 -20.469 1.00 4.21 H new ATOM 0 HB3 GLN A 73 9.991 0.055 -22.122 1.00 4.21 H new ATOM 0 HG2 GLN A 73 9.256 -2.289 -21.802 1.00 4.86 H new ATOM 0 HG3 GLN A 73 8.905 -1.973 -20.115 1.00 4.86 H new ATOM 0 HE21 GLN A 73 7.755 -1.536 -23.443 1.00 6.57 H new ATOM 0 HE22 GLN A 73 6.206 -0.803 -23.012 1.00 6.57 H new TER 1107 GLN A 73