USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 624 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 64 ASN : amide:sc= -0.26 K(o=1,f=-1.4!) USER MOD Set 1.2: A 83 SER OG : rot -117:sc= 1.26 USER MOD Set 2.1: A 37 HIS : no HD1:sc= -0.0167 X(o=-0.22,f=-0.0027) USER MOD Set 2.2: A 69 HIS : no HD1:sc= -0.2 X(o=-0.22,f=-0.0027) USER MOD Set 3.1: A 61 THR OG1 : rot 85:sc= 1.22 USER MOD Set 3.2: A 62 HIS : no HD1:sc= 0.755 K(o=2,f=-2.1) USER MOD Set 4.1: A 11 HIS : no HD1:sc= -0.132 X(o=-0.78,f=-0.65) USER MOD Set 4.2: A 85 ASN : amide:sc= -0.649 X(o=-0.78,f=-1) USER MOD Single : A 3 SER OG : rot 35:sc= 0.0554 USER MOD Single : A 4 MET CE :methyl 158:sc= -0.3 (180deg=-1.02) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -171:sc= 0.771 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.77! C(o=-1.8!,f=-5.5!) USER MOD Single : A 39 MET CE :methyl -175:sc= 0 (180deg=-0.0197) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.629 USER MOD Single : A 56 GLN : amide:sc= -1.71! C(o=-1.7!,f=-2.8!) USER MOD Single : A 73 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.014) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= -0.0441 (180deg=-0.275) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 133:sc= -0.758 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 -7.195 -5.259 -15.129 1.00 0.00 N ATOM 18 CA SER A 3 -5.896 -4.692 -15.450 1.00 0.00 C ATOM 19 C SER A 3 -5.948 -3.170 -15.376 1.00 0.00 C ATOM 20 O SER A 3 -7.027 -2.591 -15.246 1.00 0.00 O ATOM 21 CB SER A 3 -5.451 -5.150 -16.843 1.00 0.00 C ATOM 22 OG SER A 3 -5.349 -6.568 -16.902 1.00 0.00 O ATOM 0 HA SER A 3 -5.168 -5.045 -14.720 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.164 -4.801 -17.590 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.488 -4.701 -17.087 1.00 0.00 H new ATOM 0 HG SER A 3 -6.045 -6.970 -16.341 1.00 0.00 H new ATOM 28 N MET A 4 -4.776 -2.536 -15.443 1.00 0.00 N ATOM 29 CA MET A 4 -4.662 -1.080 -15.387 1.00 0.00 C ATOM 30 C MET A 4 -5.209 -0.523 -14.075 1.00 0.00 C ATOM 31 O MET A 4 -6.327 -0.007 -14.021 1.00 0.00 O ATOM 32 CB MET A 4 -5.376 -0.426 -16.576 1.00 0.00 C ATOM 33 CG MET A 4 -4.434 -0.007 -17.691 1.00 0.00 C ATOM 34 SD MET A 4 -5.280 0.824 -19.053 1.00 0.00 S ATOM 35 CE MET A 4 -6.131 2.141 -18.183 1.00 0.00 C ATOM 0 H MET A 4 -3.882 -3.017 -15.537 1.00 0.00 H new ATOM 0 HA MET A 4 -3.600 -0.839 -15.441 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.112 -1.123 -16.976 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.923 0.449 -16.225 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.671 0.657 -17.285 1.00 0.00 H new ATOM 0 HG3 MET A 4 -3.918 -0.888 -18.074 1.00 0.00 H new ATOM 0 HE1 MET A 4 -6.364 2.946 -18.880 1.00 0.00 H new ATOM 0 HE2 MET A 4 -7.055 1.755 -17.752 1.00 0.00 H new ATOM 0 HE3 MET A 4 -5.492 2.524 -17.387 1.00 0.00 H new ATOM 45 N ARG A 5 -4.422 -0.650 -13.015 1.00 0.00 N ATOM 46 CA ARG A 5 -4.821 -0.144 -11.708 1.00 0.00 C ATOM 47 C ARG A 5 -4.729 1.382 -11.709 1.00 0.00 C ATOM 48 O ARG A 5 -3.767 1.935 -12.240 1.00 0.00 O ATOM 49 CB ARG A 5 -3.939 -0.732 -10.603 1.00 0.00 C ATOM 50 CG ARG A 5 -4.149 -2.225 -10.379 1.00 0.00 C ATOM 51 CD ARG A 5 -3.308 -3.055 -11.334 1.00 0.00 C ATOM 52 NE ARG A 5 -3.470 -4.491 -11.119 1.00 0.00 N ATOM 53 CZ ARG A 5 -2.925 -5.422 -11.901 1.00 0.00 C ATOM 54 NH1 ARG A 5 -2.192 -5.066 -12.951 1.00 0.00 N ATOM 55 NH2 ARG A 5 -3.107 -6.710 -11.634 1.00 0.00 N ATOM 0 H ARG A 5 -3.506 -1.098 -13.034 1.00 0.00 H new ATOM 0 HA ARG A 5 -5.849 -0.446 -11.509 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.893 -0.555 -10.853 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.138 -0.203 -9.671 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -3.892 -2.479 -9.351 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.203 -2.470 -10.514 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.583 -2.811 -12.360 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.258 -2.789 -11.213 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.032 -4.798 -10.325 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.046 -4.078 -13.160 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.776 -5.780 -13.548 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.666 -6.990 -10.828 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.688 -7.420 -12.235 1.00 0.00 H new ATOM 69 N PRO A 6 -5.721 2.089 -11.144 1.00 0.00 N ATOM 70 CA PRO A 6 -5.742 3.553 -11.107 1.00 0.00 C ATOM 71 C PRO A 6 -5.049 4.130 -9.872 1.00 0.00 C ATOM 72 O PRO A 6 -5.551 3.989 -8.753 1.00 0.00 O ATOM 73 CB PRO A 6 -7.250 3.872 -11.056 1.00 0.00 C ATOM 74 CG PRO A 6 -7.945 2.545 -10.950 1.00 0.00 C ATOM 75 CD PRO A 6 -6.919 1.567 -10.496 1.00 0.00 C ATOM 0 HA PRO A 6 -5.211 3.985 -11.955 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.487 4.507 -10.202 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.567 4.409 -11.950 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.773 2.596 -10.243 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.365 2.249 -11.911 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.823 1.546 -9.410 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.150 0.551 -10.816 1.00 0.00 H new ATOM 83 N PRO A 7 -3.880 4.773 -10.045 1.00 0.00 N ATOM 84 CA PRO A 7 -3.148 5.375 -8.934 1.00 0.00 C ATOM 85 C PRO A 7 -3.837 6.596 -8.360 1.00 0.00 C ATOM 86 O PRO A 7 -4.102 7.573 -9.063 1.00 0.00 O ATOM 87 CB PRO A 7 -1.814 5.799 -9.536 1.00 0.00 C ATOM 88 CG PRO A 7 -1.731 5.109 -10.851 1.00 0.00 C ATOM 89 CD PRO A 7 -3.154 4.932 -11.313 1.00 0.00 C ATOM 0 HA PRO A 7 -3.063 4.664 -8.112 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.765 6.881 -9.657 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.984 5.513 -8.890 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.158 5.699 -11.567 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.228 4.147 -10.756 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.508 5.794 -11.878 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.266 4.060 -11.958 1.00 0.00 H new ATOM 97 N ILE A 8 -4.116 6.528 -7.080 1.00 0.00 N ATOM 98 CA ILE A 8 -4.735 7.611 -6.373 1.00 0.00 C ATOM 99 C ILE A 8 -3.655 8.550 -5.877 1.00 0.00 C ATOM 100 O ILE A 8 -2.846 8.191 -5.026 1.00 0.00 O ATOM 101 CB ILE A 8 -5.556 7.082 -5.197 1.00 0.00 C ATOM 102 CG1 ILE A 8 -6.175 5.754 -5.576 1.00 0.00 C ATOM 103 CG2 ILE A 8 -6.648 8.050 -4.862 1.00 0.00 C ATOM 104 CD1 ILE A 8 -6.177 4.733 -4.466 1.00 0.00 C ATOM 0 H ILE A 8 -3.917 5.712 -6.501 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.409 8.145 -7.043 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.903 6.957 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.202 5.924 -5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.635 5.345 -6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.229 7.667 -4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.212 9.012 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.299 8.177 -5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.638 3.811 -4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.152 4.531 -4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.743 5.119 -3.618 1.00 0.00 H new ATOM 116 N ILE A 9 -3.616 9.736 -6.435 1.00 0.00 N ATOM 117 CA ILE A 9 -2.608 10.707 -6.059 1.00 0.00 C ATOM 118 C ILE A 9 -2.945 11.369 -4.730 1.00 0.00 C ATOM 119 O ILE A 9 -3.813 12.246 -4.677 1.00 0.00 O ATOM 120 CB ILE A 9 -2.449 11.817 -7.124 1.00 0.00 C ATOM 121 CG1 ILE A 9 -2.630 11.262 -8.545 1.00 0.00 C ATOM 122 CG2 ILE A 9 -1.090 12.496 -6.978 1.00 0.00 C ATOM 123 CD1 ILE A 9 -1.472 10.418 -9.035 1.00 0.00 C ATOM 0 H ILE A 9 -4.269 10.055 -7.151 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.673 10.153 -5.973 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.232 12.558 -6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.540 10.663 -8.576 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.774 12.095 -9.233 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.990 13.276 -7.733 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.010 12.940 -5.986 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.299 11.758 -7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.680 10.066 -10.045 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.562 11.017 -9.040 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.340 9.562 -8.373 1.00 0.00 H new ATOM 135 N ILE A 10 -2.293 10.930 -3.656 1.00 0.00 N ATOM 136 CA ILE A 10 -2.502 11.551 -2.356 1.00 0.00 C ATOM 137 C ILE A 10 -1.713 12.846 -2.354 1.00 0.00 C ATOM 138 O ILE A 10 -0.820 13.020 -3.175 1.00 0.00 O ATOM 139 CB ILE A 10 -2.009 10.690 -1.155 1.00 0.00 C ATOM 140 CG1 ILE A 10 -2.589 9.286 -1.159 1.00 0.00 C ATOM 141 CG2 ILE A 10 -2.376 11.352 0.161 1.00 0.00 C ATOM 142 CD1 ILE A 10 -1.589 8.234 -0.773 1.00 0.00 C ATOM 0 H ILE A 10 -1.626 10.158 -3.661 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.575 11.688 -2.224 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.927 10.616 -1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.433 9.246 -0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.977 9.063 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.024 10.736 0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.909 12.336 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.459 11.460 0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.065 7.254 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.756 8.249 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.219 8.435 0.232 1.00 0.00 H new ATOM 154 N HIS A 11 -2.020 13.736 -1.440 1.00 0.00 N ATOM 155 CA HIS A 11 -1.323 14.990 -1.339 1.00 0.00 C ATOM 156 C HIS A 11 -1.138 15.308 0.131 1.00 0.00 C ATOM 157 O HIS A 11 -2.111 15.511 0.858 1.00 0.00 O ATOM 158 CB HIS A 11 -2.112 16.100 -2.045 1.00 0.00 C ATOM 159 CG HIS A 11 -1.413 17.423 -2.067 1.00 0.00 C ATOM 160 ND1 HIS A 11 -2.043 18.568 -1.645 1.00 0.00 N ATOM 161 CD2 HIS A 11 -0.157 17.731 -2.469 1.00 0.00 C ATOM 162 CE1 HIS A 11 -1.162 19.542 -1.798 1.00 0.00 C ATOM 163 NE2 HIS A 11 -0.009 19.079 -2.295 1.00 0.00 N ATOM 0 H HIS A 11 -2.759 13.609 -0.748 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.351 14.922 -1.827 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.316 15.791 -3.070 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.076 16.218 -1.550 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.584 17.045 -2.853 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.349 20.577 -1.554 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.824 19.629 -2.505 1.00 0.00 H new ATOM 171 N ARG A 12 0.109 15.295 0.572 1.00 0.00 N ATOM 172 CA ARG A 12 0.430 15.561 1.966 1.00 0.00 C ATOM 173 C ARG A 12 0.036 16.982 2.356 1.00 0.00 C ATOM 174 O ARG A 12 0.732 17.947 2.040 1.00 0.00 O ATOM 175 CB ARG A 12 1.918 15.331 2.215 1.00 0.00 C ATOM 176 CG ARG A 12 2.245 15.003 3.658 1.00 0.00 C ATOM 177 CD ARG A 12 3.645 14.440 3.773 1.00 0.00 C ATOM 178 NE ARG A 12 4.037 14.183 5.158 1.00 0.00 N ATOM 179 CZ ARG A 12 5.217 13.674 5.521 1.00 0.00 C ATOM 180 NH1 ARG A 12 6.144 13.407 4.607 1.00 0.00 N ATOM 181 NH2 ARG A 12 5.472 13.431 6.800 1.00 0.00 N ATOM 0 H ARG A 12 0.919 15.102 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.142 14.872 2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.263 14.517 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.470 16.223 1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.157 15.901 4.269 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.525 14.282 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.707 13.512 3.204 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.351 15.138 3.323 1.00 0.00 H new ATOM 0 HE ARG A 12 3.367 14.407 5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.956 13.591 3.621 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.043 13.018 4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.766 13.633 7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.374 13.042 7.075 1.00 0.00 H new ATOM 195 N ALA A 13 -1.092 17.097 3.045 1.00 0.00 N ATOM 196 CA ALA A 13 -1.602 18.387 3.491 1.00 0.00 C ATOM 197 C ALA A 13 -0.871 18.875 4.743 1.00 0.00 C ATOM 198 O ALA A 13 -1.494 19.261 5.731 1.00 0.00 O ATOM 199 CB ALA A 13 -3.099 18.287 3.749 1.00 0.00 C ATOM 0 H ALA A 13 -1.676 16.304 3.309 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.422 19.118 2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.476 19.254 4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.608 17.996 2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.286 17.539 4.520 1.00 0.00 H new ATOM 205 N GLY A 14 0.458 18.852 4.691 1.00 0.00 N ATOM 206 CA GLY A 14 1.262 19.302 5.812 1.00 0.00 C ATOM 207 C GLY A 14 1.272 18.321 6.969 1.00 0.00 C ATOM 208 O GLY A 14 1.704 18.659 8.070 1.00 0.00 O ATOM 0 H GLY A 14 0.994 18.527 3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.285 19.467 5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.883 20.262 6.161 1.00 0.00 H new ATOM 212 N LYS A 15 0.792 17.108 6.730 1.00 0.00 N ATOM 213 CA LYS A 15 0.760 16.092 7.773 1.00 0.00 C ATOM 214 C LYS A 15 1.219 14.737 7.236 1.00 0.00 C ATOM 215 O LYS A 15 2.389 14.376 7.361 1.00 0.00 O ATOM 216 CB LYS A 15 -0.645 15.978 8.392 1.00 0.00 C ATOM 217 CG LYS A 15 -1.777 16.428 7.470 1.00 0.00 C ATOM 218 CD LYS A 15 -3.117 15.838 7.889 1.00 0.00 C ATOM 219 CE LYS A 15 -3.441 16.144 9.345 1.00 0.00 C ATOM 220 NZ LYS A 15 -4.705 15.495 9.785 1.00 0.00 N ATOM 0 H LYS A 15 0.422 16.805 5.829 1.00 0.00 H new ATOM 0 HA LYS A 15 1.454 16.401 8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.818 14.942 8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.677 16.574 9.304 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.841 17.516 7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.552 16.129 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.905 16.237 7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.101 14.758 7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.621 15.805 9.978 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.522 17.223 9.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.887 15.730 10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.493 15.837 9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.620 14.464 9.682 1.00 0.00 H new ATOM 234 N LYS A 16 0.308 14.011 6.600 1.00 0.00 N ATOM 235 CA LYS A 16 0.612 12.691 6.061 1.00 0.00 C ATOM 236 C LYS A 16 -0.346 12.346 4.928 1.00 0.00 C ATOM 237 O LYS A 16 -1.206 13.153 4.574 1.00 0.00 O ATOM 238 CB LYS A 16 0.520 11.636 7.167 1.00 0.00 C ATOM 239 CG LYS A 16 -0.640 11.850 8.130 1.00 0.00 C ATOM 240 CD LYS A 16 -0.270 11.445 9.550 1.00 0.00 C ATOM 241 CE LYS A 16 -1.455 11.578 10.493 1.00 0.00 C ATOM 242 NZ LYS A 16 -1.048 11.467 11.917 1.00 0.00 N ATOM 0 H LYS A 16 -0.653 14.316 6.444 1.00 0.00 H new ATOM 0 HA LYS A 16 1.628 12.702 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.422 10.652 6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.452 11.634 7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.937 12.899 8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.501 11.270 7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.086 10.415 9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.551 12.068 9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.943 12.539 10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.189 10.805 10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.886 11.563 12.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.606 10.540 12.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.367 12.220 12.143 1.00 0.00 H new ATOM 256 N TYR A 17 -0.181 11.158 4.352 1.00 0.00 N ATOM 257 CA TYR A 17 -1.036 10.708 3.258 1.00 0.00 C ATOM 258 C TYR A 17 -2.282 10.040 3.808 1.00 0.00 C ATOM 259 O TYR A 17 -3.102 9.512 3.064 1.00 0.00 O ATOM 260 CB TYR A 17 -0.270 9.795 2.300 1.00 0.00 C ATOM 261 CG TYR A 17 1.074 10.382 1.940 1.00 0.00 C ATOM 262 CD1 TYR A 17 2.199 10.131 2.714 1.00 0.00 C ATOM 263 CD2 TYR A 17 1.210 11.216 0.842 1.00 0.00 C ATOM 264 CE1 TYR A 17 3.418 10.694 2.405 1.00 0.00 C ATOM 265 CE2 TYR A 17 2.430 11.784 0.519 1.00 0.00 C ATOM 266 CZ TYR A 17 3.533 11.515 1.307 1.00 0.00 C ATOM 267 OH TYR A 17 4.753 12.066 1.000 1.00 0.00 O ATOM 0 H TYR A 17 0.538 10.489 4.626 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.352 11.576 2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.131 8.817 2.760 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.856 9.641 1.394 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.117 9.483 3.574 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.348 11.427 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.280 10.491 3.023 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.519 12.431 -0.341 1.00 0.00 H new ATOM 0 HH TYR A 17 4.643 12.728 0.285 1.00 0.00 H new ATOM 277 N GLY A 18 -2.406 10.093 5.124 1.00 0.00 N ATOM 278 CA GLY A 18 -3.560 9.573 5.818 1.00 0.00 C ATOM 279 C GLY A 18 -3.924 8.133 5.545 1.00 0.00 C ATOM 280 O GLY A 18 -5.073 7.847 5.273 1.00 0.00 O ATOM 0 H GLY A 18 -1.702 10.501 5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.391 9.684 6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.418 10.195 5.564 1.00 0.00 H new ATOM 284 N PHE A 19 -2.973 7.233 5.621 1.00 0.00 N ATOM 285 CA PHE A 19 -3.272 5.807 5.441 1.00 0.00 C ATOM 286 C PHE A 19 -2.140 4.897 5.901 1.00 0.00 C ATOM 287 O PHE A 19 -0.965 5.242 5.863 1.00 0.00 O ATOM 288 CB PHE A 19 -3.647 5.470 3.996 1.00 0.00 C ATOM 289 CG PHE A 19 -2.474 5.354 3.068 1.00 0.00 C ATOM 290 CD1 PHE A 19 -1.766 6.472 2.669 1.00 0.00 C ATOM 291 CD2 PHE A 19 -2.070 4.111 2.613 1.00 0.00 C ATOM 292 CE1 PHE A 19 -0.677 6.351 1.824 1.00 0.00 C ATOM 293 CE2 PHE A 19 -0.986 3.983 1.773 1.00 0.00 C ATOM 294 CZ PHE A 19 -0.287 5.104 1.379 1.00 0.00 C ATOM 0 H PHE A 19 -1.992 7.445 5.804 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.135 5.618 6.080 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.199 4.530 3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.320 6.239 3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.065 7.449 3.020 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.612 3.229 2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.133 7.231 1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.684 3.007 1.424 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.565 5.007 0.723 1.00 0.00 H new ATOM 304 N THR A 20 -2.552 3.728 6.356 1.00 0.00 N ATOM 305 CA THR A 20 -1.651 2.694 6.870 1.00 0.00 C ATOM 306 C THR A 20 -1.273 1.652 5.804 1.00 0.00 C ATOM 307 O THR A 20 -2.148 0.958 5.284 1.00 0.00 O ATOM 308 CB THR A 20 -2.326 1.979 8.062 1.00 0.00 C ATOM 309 OG1 THR A 20 -2.604 2.931 9.101 1.00 0.00 O ATOM 310 CG2 THR A 20 -1.460 0.851 8.619 1.00 0.00 C ATOM 0 H THR A 20 -3.536 3.459 6.382 1.00 0.00 H new ATOM 0 HA THR A 20 -0.731 3.189 7.181 1.00 0.00 H new ATOM 0 HB THR A 20 -3.254 1.536 7.700 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.034 2.476 9.855 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.974 0.377 9.455 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.279 0.112 7.838 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.509 1.258 8.962 1.00 0.00 H new ATOM 318 N LEU A 21 0.022 1.545 5.481 1.00 0.00 N ATOM 319 CA LEU A 21 0.485 0.557 4.498 1.00 0.00 C ATOM 320 C LEU A 21 0.833 -0.761 5.195 1.00 0.00 C ATOM 321 O LEU A 21 1.978 -0.995 5.557 1.00 0.00 O ATOM 322 CB LEU A 21 1.704 1.069 3.701 1.00 0.00 C ATOM 323 CG LEU A 21 1.725 0.698 2.214 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.369 0.200 1.737 1.00 0.00 C ATOM 325 CD2 LEU A 21 2.158 1.891 1.391 1.00 0.00 C ATOM 0 H LEU A 21 0.761 2.123 5.881 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.329 0.391 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.742 2.155 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.610 0.681 4.167 1.00 0.00 H new ATOM 0 HG LEU A 21 2.440 -0.115 2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.426 -0.052 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.086 -0.685 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.378 0.980 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.171 1.620 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.459 2.713 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.157 2.201 1.698 1.00 0.00 H new ATOM 337 N ARG A 22 -0.174 -1.600 5.408 1.00 0.00 N ATOM 338 CA ARG A 22 0.011 -2.894 6.069 1.00 0.00 C ATOM 339 C ARG A 22 0.812 -3.856 5.189 1.00 0.00 C ATOM 340 O ARG A 22 0.616 -3.889 3.976 1.00 0.00 O ATOM 341 CB ARG A 22 -1.352 -3.514 6.373 1.00 0.00 C ATOM 342 CG ARG A 22 -1.380 -4.386 7.617 1.00 0.00 C ATOM 343 CD ARG A 22 -1.454 -3.556 8.890 1.00 0.00 C ATOM 344 NE ARG A 22 -1.867 -4.369 10.036 1.00 0.00 N ATOM 345 CZ ARG A 22 -1.671 -4.035 11.313 1.00 0.00 C ATOM 346 NH1 ARG A 22 -1.072 -2.892 11.628 1.00 0.00 N ATOM 347 NH2 ARG A 22 -2.093 -4.845 12.274 1.00 0.00 N ATOM 0 H ARG A 22 -1.137 -1.408 5.131 1.00 0.00 H new ATOM 0 HA ARG A 22 0.564 -2.725 6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.084 -2.715 6.488 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.665 -4.112 5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.238 -5.057 7.571 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.487 -5.011 7.642 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.481 -3.109 9.091 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.159 -2.736 8.751 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.338 -5.253 9.844 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.757 -2.261 10.891 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.927 -2.645 12.607 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.564 -5.718 12.035 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.946 -4.596 13.252 1.00 0.00 H new ATOM 561 N VAL A 36 5.536 -10.530 -1.282 1.00 0.00 N ATOM 562 CA VAL A 36 5.364 -9.407 -0.375 1.00 0.00 C ATOM 563 C VAL A 36 4.426 -8.365 -0.972 1.00 0.00 C ATOM 564 O VAL A 36 4.780 -7.676 -1.933 1.00 0.00 O ATOM 565 CB VAL A 36 6.703 -8.740 -0.007 1.00 0.00 C ATOM 566 CG1 VAL A 36 6.522 -7.811 1.185 1.00 0.00 C ATOM 567 CG2 VAL A 36 7.762 -9.788 0.290 1.00 0.00 C ATOM 0 HA VAL A 36 4.927 -9.812 0.538 1.00 0.00 H new ATOM 0 HB VAL A 36 7.038 -8.149 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.477 -7.347 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.796 -7.037 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.163 -8.383 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.699 -9.295 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.436 -10.408 1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.911 -10.414 -0.590 1.00 0.00 H new ATOM 577 N HIS A 37 3.230 -8.271 -0.412 1.00 0.00 N ATOM 578 CA HIS A 37 2.246 -7.303 -0.863 1.00 0.00 C ATOM 579 C HIS A 37 1.935 -6.349 0.271 1.00 0.00 C ATOM 580 O HIS A 37 2.425 -6.529 1.389 1.00 0.00 O ATOM 581 CB HIS A 37 0.952 -7.980 -1.329 1.00 0.00 C ATOM 582 CG HIS A 37 1.098 -8.775 -2.587 1.00 0.00 C ATOM 583 ND1 HIS A 37 1.318 -8.166 -3.798 1.00 0.00 N ATOM 584 CD2 HIS A 37 1.039 -10.114 -2.772 1.00 0.00 C ATOM 585 CE1 HIS A 37 1.388 -9.141 -4.686 1.00 0.00 C ATOM 586 NE2 HIS A 37 1.225 -10.340 -4.112 1.00 0.00 N ATOM 0 H HIS A 37 2.917 -8.858 0.361 1.00 0.00 H new ATOM 0 HA HIS A 37 2.665 -6.765 -1.713 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.592 -8.636 -0.537 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.189 -7.216 -1.481 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.876 -10.862 -2.010 1.00 0.00 H new ATOM 0 HE1 HIS A 37 1.556 -8.990 -5.742 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.237 -11.246 -4.581 1.00 0.00 H new ATOM 594 N HIS A 38 1.081 -5.378 0.001 1.00 0.00 N ATOM 595 CA HIS A 38 0.704 -4.389 0.995 1.00 0.00 C ATOM 596 C HIS A 38 -0.725 -3.951 0.751 1.00 0.00 C ATOM 597 O HIS A 38 -1.209 -3.989 -0.383 1.00 0.00 O ATOM 598 CB HIS A 38 1.631 -3.166 0.942 1.00 0.00 C ATOM 599 CG HIS A 38 3.071 -3.474 1.214 1.00 0.00 C ATOM 600 ND1 HIS A 38 3.510 -3.805 2.470 1.00 0.00 N ATOM 601 CD2 HIS A 38 4.116 -3.517 0.356 1.00 0.00 C ATOM 602 CE1 HIS A 38 4.800 -4.046 2.348 1.00 0.00 C ATOM 603 NE2 HIS A 38 5.216 -3.886 1.086 1.00 0.00 N ATOM 0 H HIS A 38 0.632 -5.253 -0.906 1.00 0.00 H new ATOM 0 HA HIS A 38 0.794 -4.843 1.982 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.550 -2.705 -0.042 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.285 -2.430 1.668 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.089 -3.302 -0.702 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.442 -4.337 3.166 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.166 -4.014 0.736 1.00 0.00 H new ATOM 611 N MET A 39 -1.389 -3.513 1.804 1.00 0.00 N ATOM 612 CA MET A 39 -2.775 -3.091 1.708 1.00 0.00 C ATOM 613 C MET A 39 -3.046 -1.970 2.688 1.00 0.00 C ATOM 614 O MET A 39 -2.475 -1.934 3.781 1.00 0.00 O ATOM 615 CB MET A 39 -3.731 -4.250 2.023 1.00 0.00 C ATOM 616 CG MET A 39 -3.655 -5.416 1.050 1.00 0.00 C ATOM 617 SD MET A 39 -5.236 -6.257 0.851 1.00 0.00 S ATOM 618 CE MET A 39 -5.484 -6.908 2.499 1.00 0.00 C ATOM 0 H MET A 39 -0.990 -3.440 2.740 1.00 0.00 H new ATOM 0 HA MET A 39 -2.945 -2.752 0.686 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.517 -4.617 3.027 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.752 -3.869 2.034 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.316 -5.053 0.080 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.910 -6.130 1.401 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.379 -7.530 2.514 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.620 -7.507 2.787 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.604 -6.083 3.202 1.00 0.00 H new ATOM 628 N VAL A 40 -3.906 -1.049 2.293 1.00 0.00 N ATOM 629 CA VAL A 40 -4.253 0.062 3.149 1.00 0.00 C ATOM 630 C VAL A 40 -5.157 -0.426 4.280 1.00 0.00 C ATOM 631 O VAL A 40 -6.351 -0.681 4.098 1.00 0.00 O ATOM 632 CB VAL A 40 -4.906 1.220 2.368 1.00 0.00 C ATOM 633 CG1 VAL A 40 -6.067 0.722 1.525 1.00 0.00 C ATOM 634 CG2 VAL A 40 -5.345 2.319 3.325 1.00 0.00 C ATOM 0 H VAL A 40 -4.374 -1.051 1.387 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.333 0.462 3.575 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.166 1.639 1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.510 1.559 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.707 -0.020 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.819 0.270 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.804 3.131 2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.067 1.916 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.478 2.698 3.866 1.00 0.00 H new ATOM 644 N TRP A 41 -4.553 -0.575 5.443 1.00 0.00 N ATOM 645 CA TRP A 41 -5.245 -1.063 6.625 1.00 0.00 C ATOM 646 C TRP A 41 -6.226 -0.052 7.159 1.00 0.00 C ATOM 647 O TRP A 41 -7.325 -0.393 7.593 1.00 0.00 O ATOM 648 CB TRP A 41 -4.234 -1.372 7.708 1.00 0.00 C ATOM 649 CG TRP A 41 -4.680 -2.453 8.627 1.00 0.00 C ATOM 650 CD1 TRP A 41 -4.665 -2.417 9.985 1.00 0.00 C ATOM 651 CD2 TRP A 41 -5.221 -3.726 8.258 1.00 0.00 C ATOM 652 NE1 TRP A 41 -5.145 -3.596 10.490 1.00 0.00 N ATOM 653 CE2 TRP A 41 -5.499 -4.417 9.449 1.00 0.00 C ATOM 654 CE3 TRP A 41 -5.494 -4.350 7.036 1.00 0.00 C ATOM 655 CZ2 TRP A 41 -6.038 -5.702 9.454 1.00 0.00 C ATOM 656 CZ3 TRP A 41 -6.030 -5.623 7.044 1.00 0.00 C ATOM 657 CH2 TRP A 41 -6.296 -6.286 8.246 1.00 0.00 C ATOM 0 H TRP A 41 -3.568 -0.361 5.597 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.795 -1.959 6.338 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.291 -1.662 7.245 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.041 -0.468 8.286 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -4.325 -1.582 10.579 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -5.226 -3.827 11.480 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.289 -3.845 6.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.245 -6.218 10.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.247 -6.114 6.107 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.714 -7.281 8.219 1.00 0.00 H new ATOM 668 N HIS A 42 -5.816 1.191 7.118 1.00 0.00 N ATOM 669 CA HIS A 42 -6.630 2.276 7.621 1.00 0.00 C ATOM 670 C HIS A 42 -6.255 3.567 6.948 1.00 0.00 C ATOM 671 O HIS A 42 -5.096 3.961 6.961 1.00 0.00 O ATOM 672 CB HIS A 42 -6.402 2.434 9.118 1.00 0.00 C ATOM 673 CG HIS A 42 -7.548 3.058 9.854 1.00 0.00 C ATOM 674 ND1 HIS A 42 -8.455 2.296 10.549 1.00 0.00 N ATOM 675 CD2 HIS A 42 -7.879 4.366 9.981 1.00 0.00 C ATOM 676 CE1 HIS A 42 -9.312 3.152 11.082 1.00 0.00 C ATOM 677 NE2 HIS A 42 -9.003 4.418 10.766 1.00 0.00 N ATOM 0 H HIS A 42 -4.915 1.481 6.738 1.00 0.00 H new ATOM 0 HA HIS A 42 -7.675 2.045 7.417 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.200 1.453 9.548 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -5.510 3.041 9.276 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.358 5.207 9.547 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.154 2.867 11.695 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -9.506 5.257 11.054 1.00 0.00 H new ATOM 685 N VAL A 43 -7.230 4.211 6.355 1.00 0.00 N ATOM 686 CA VAL A 43 -6.994 5.468 5.690 1.00 0.00 C ATOM 687 C VAL A 43 -7.880 6.549 6.292 1.00 0.00 C ATOM 688 O VAL A 43 -9.098 6.392 6.415 1.00 0.00 O ATOM 689 CB VAL A 43 -7.181 5.358 4.162 1.00 0.00 C ATOM 690 CG1 VAL A 43 -8.518 4.770 3.819 1.00 0.00 C ATOM 691 CG2 VAL A 43 -7.011 6.702 3.488 1.00 0.00 C ATOM 0 H VAL A 43 -8.196 3.885 6.319 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.953 5.748 5.850 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.406 4.689 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.620 4.705 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.599 3.773 4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.308 5.404 4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.149 6.590 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.751 7.401 3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.010 7.085 3.687 1.00 0.00 H new ATOM 701 N GLU A 44 -7.227 7.610 6.725 1.00 0.00 N ATOM 702 CA GLU A 44 -7.870 8.744 7.341 1.00 0.00 C ATOM 703 C GLU A 44 -8.743 9.493 6.345 1.00 0.00 C ATOM 704 O GLU A 44 -8.255 10.016 5.338 1.00 0.00 O ATOM 705 CB GLU A 44 -6.800 9.667 7.906 1.00 0.00 C ATOM 706 CG GLU A 44 -6.067 9.087 9.106 1.00 0.00 C ATOM 707 CD GLU A 44 -4.923 9.965 9.568 1.00 0.00 C ATOM 708 OE1 GLU A 44 -3.917 10.068 8.837 1.00 0.00 O ATOM 709 OE2 GLU A 44 -5.021 10.554 10.663 1.00 0.00 O ATOM 0 H GLU A 44 -6.214 7.705 6.655 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.519 8.392 8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.076 9.892 7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.262 10.611 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.771 8.952 9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.682 8.100 8.850 1.00 0.00 H new ATOM 716 N ASP A 45 -10.028 9.572 6.652 1.00 0.00 N ATOM 717 CA ASP A 45 -10.992 10.253 5.794 1.00 0.00 C ATOM 718 C ASP A 45 -11.034 11.744 6.103 1.00 0.00 C ATOM 719 O ASP A 45 -12.024 12.420 5.835 1.00 0.00 O ATOM 720 CB ASP A 45 -12.387 9.636 5.953 1.00 0.00 C ATOM 721 CG ASP A 45 -12.906 9.697 7.376 1.00 0.00 C ATOM 722 OD1 ASP A 45 -12.202 9.224 8.294 1.00 0.00 O ATOM 723 OD2 ASP A 45 -14.030 10.205 7.585 1.00 0.00 O ATOM 0 H ASP A 45 -10.433 9.169 7.497 1.00 0.00 H new ATOM 0 HA ASP A 45 -10.672 10.126 4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -13.084 10.155 5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.357 8.596 5.628 1.00 0.00 H new ATOM 728 N GLY A 46 -9.939 12.253 6.645 1.00 0.00 N ATOM 729 CA GLY A 46 -9.862 13.656 6.985 1.00 0.00 C ATOM 730 C GLY A 46 -9.494 14.531 5.804 1.00 0.00 C ATOM 731 O GLY A 46 -9.805 15.722 5.791 1.00 0.00 O ATOM 0 H GLY A 46 -9.098 11.715 6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.822 13.981 7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.124 13.793 7.776 1.00 0.00 H new ATOM 735 N GLY A 47 -8.842 13.952 4.799 1.00 0.00 N ATOM 736 CA GLY A 47 -8.450 14.743 3.652 1.00 0.00 C ATOM 737 C GLY A 47 -7.528 14.031 2.672 1.00 0.00 C ATOM 738 O GLY A 47 -7.808 14.036 1.477 1.00 0.00 O ATOM 0 H GLY A 47 -8.583 12.966 4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.348 15.058 3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.954 15.648 4.004 1.00 0.00 H new ATOM 742 N PRO A 48 -6.406 13.439 3.139 1.00 0.00 N ATOM 743 CA PRO A 48 -5.422 12.749 2.270 1.00 0.00 C ATOM 744 C PRO A 48 -5.961 11.621 1.361 1.00 0.00 C ATOM 745 O PRO A 48 -6.920 11.797 0.610 1.00 0.00 O ATOM 746 CB PRO A 48 -4.440 12.171 3.283 1.00 0.00 C ATOM 747 CG PRO A 48 -4.501 13.096 4.429 1.00 0.00 C ATOM 748 CD PRO A 48 -5.948 13.436 4.549 1.00 0.00 C ATOM 0 HA PRO A 48 -5.018 13.455 1.544 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.721 11.159 3.575 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.432 12.116 2.871 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.125 12.628 5.339 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.896 13.986 4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.487 12.702 5.147 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.097 14.406 5.024 1.00 0.00 H new ATOM 756 N ALA A 49 -5.303 10.457 1.442 1.00 0.00 N ATOM 757 CA ALA A 49 -5.611 9.290 0.615 1.00 0.00 C ATOM 758 C ALA A 49 -7.104 8.971 0.498 1.00 0.00 C ATOM 759 O ALA A 49 -7.573 8.650 -0.594 1.00 0.00 O ATOM 760 CB ALA A 49 -4.827 8.074 1.121 1.00 0.00 C ATOM 0 H ALA A 49 -4.533 10.301 2.093 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.298 9.542 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.060 7.208 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.758 8.282 1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.104 7.867 2.154 1.00 0.00 H new ATOM 766 N SER A 50 -7.856 9.099 1.582 1.00 0.00 N ATOM 767 CA SER A 50 -9.279 8.770 1.557 1.00 0.00 C ATOM 768 C SER A 50 -10.062 9.619 0.560 1.00 0.00 C ATOM 769 O SER A 50 -10.652 9.093 -0.383 1.00 0.00 O ATOM 770 CB SER A 50 -9.882 8.935 2.941 1.00 0.00 C ATOM 771 OG SER A 50 -10.037 7.684 3.587 1.00 0.00 O ATOM 0 H SER A 50 -7.511 9.425 2.484 1.00 0.00 H new ATOM 0 HA SER A 50 -9.354 7.731 1.236 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.244 9.581 3.543 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.851 9.428 2.862 1.00 0.00 H new ATOM 0 HG SER A 50 -10.425 7.821 4.476 1.00 0.00 H new ATOM 777 N GLU A 51 -10.057 10.929 0.771 1.00 0.00 N ATOM 778 CA GLU A 51 -10.792 11.850 -0.095 1.00 0.00 C ATOM 779 C GLU A 51 -10.280 11.772 -1.522 1.00 0.00 C ATOM 780 O GLU A 51 -11.034 11.941 -2.486 1.00 0.00 O ATOM 781 CB GLU A 51 -10.688 13.276 0.429 1.00 0.00 C ATOM 782 CG GLU A 51 -11.414 13.489 1.745 1.00 0.00 C ATOM 783 CD GLU A 51 -12.876 13.835 1.555 1.00 0.00 C ATOM 784 OE1 GLU A 51 -13.654 12.958 1.132 1.00 0.00 O ATOM 785 OE2 GLU A 51 -13.256 14.989 1.845 1.00 0.00 O ATOM 0 H GLU A 51 -9.553 11.381 1.534 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.841 11.555 -0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.636 13.532 0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.094 13.960 -0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.334 12.586 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.924 14.289 2.300 1.00 0.00 H new ATOM 792 N ALA A 52 -8.992 11.506 -1.642 1.00 0.00 N ATOM 793 CA ALA A 52 -8.349 11.382 -2.935 1.00 0.00 C ATOM 794 C ALA A 52 -8.978 10.252 -3.743 1.00 0.00 C ATOM 795 O ALA A 52 -9.015 10.298 -4.973 1.00 0.00 O ATOM 796 CB ALA A 52 -6.863 11.141 -2.743 1.00 0.00 C ATOM 0 H ALA A 52 -8.365 11.371 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.489 12.309 -3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.381 11.048 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.426 11.979 -2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.714 10.223 -2.175 1.00 0.00 H new ATOM 802 N GLY A 53 -9.481 9.240 -3.044 1.00 0.00 N ATOM 803 CA GLY A 53 -10.107 8.125 -3.715 1.00 0.00 C ATOM 804 C GLY A 53 -9.710 6.784 -3.135 1.00 0.00 C ATOM 805 O GLY A 53 -10.317 5.766 -3.460 1.00 0.00 O ATOM 0 H GLY A 53 -9.465 9.176 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.190 8.234 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.842 8.150 -4.772 1.00 0.00 H new ATOM 809 N LEU A 54 -8.689 6.774 -2.284 1.00 0.00 N ATOM 810 CA LEU A 54 -8.227 5.534 -1.679 1.00 0.00 C ATOM 811 C LEU A 54 -9.259 4.980 -0.714 1.00 0.00 C ATOM 812 O LEU A 54 -9.585 5.597 0.301 1.00 0.00 O ATOM 813 CB LEU A 54 -6.889 5.719 -0.961 1.00 0.00 C ATOM 814 CG LEU A 54 -5.953 4.512 -1.016 1.00 0.00 C ATOM 815 CD1 LEU A 54 -4.704 4.755 -0.190 1.00 0.00 C ATOM 816 CD2 LEU A 54 -6.649 3.267 -0.537 1.00 0.00 C ATOM 0 H LEU A 54 -8.170 7.605 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.083 4.819 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.376 6.577 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.085 5.960 0.084 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.662 4.370 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.055 3.881 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.175 5.625 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.983 4.933 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.961 2.423 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.978 3.407 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.514 3.067 -1.170 1.00 0.00 H new ATOM 828 N ARG A 55 -9.771 3.816 -1.052 1.00 0.00 N ATOM 829 CA ARG A 55 -10.752 3.147 -0.222 1.00 0.00 C ATOM 830 C ARG A 55 -10.058 2.167 0.721 1.00 0.00 C ATOM 831 O ARG A 55 -9.263 1.335 0.284 1.00 0.00 O ATOM 832 CB ARG A 55 -11.798 2.431 -1.085 1.00 0.00 C ATOM 833 CG ARG A 55 -11.229 1.355 -1.999 1.00 0.00 C ATOM 834 CD ARG A 55 -11.502 -0.040 -1.460 1.00 0.00 C ATOM 835 NE ARG A 55 -12.892 -0.438 -1.664 1.00 0.00 N ATOM 836 CZ ARG A 55 -13.683 -0.932 -0.716 1.00 0.00 C ATOM 837 NH1 ARG A 55 -13.243 -1.072 0.531 1.00 0.00 N ATOM 838 NH2 ARG A 55 -14.928 -1.278 -1.018 1.00 0.00 N ATOM 0 H ARG A 55 -9.522 3.310 -1.902 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.272 3.895 0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.543 1.978 -0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.317 3.171 -1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.665 1.453 -2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.154 1.500 -2.107 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.843 -0.755 -1.952 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.268 -0.071 -0.396 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.284 -0.329 -2.599 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.289 -0.799 0.769 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.859 -1.452 1.250 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.272 -1.164 -1.972 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.541 -1.658 -0.297 1.00 0.00 H new ATOM 852 N GLN A 56 -10.312 2.302 2.014 1.00 0.00 N ATOM 853 CA GLN A 56 -9.736 1.402 3.005 1.00 0.00 C ATOM 854 C GLN A 56 -9.983 -0.061 2.628 1.00 0.00 C ATOM 855 O GLN A 56 -11.059 -0.416 2.139 1.00 0.00 O ATOM 856 CB GLN A 56 -10.333 1.693 4.376 1.00 0.00 C ATOM 857 CG GLN A 56 -9.611 1.035 5.515 1.00 0.00 C ATOM 858 CD GLN A 56 -10.014 1.597 6.861 1.00 0.00 C ATOM 859 OE1 GLN A 56 -10.323 2.785 6.989 1.00 0.00 O ATOM 860 NE2 GLN A 56 -10.022 0.750 7.872 1.00 0.00 N ATOM 0 H GLN A 56 -10.914 3.027 2.403 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.659 1.569 3.035 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.336 2.771 4.537 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.373 1.367 4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.812 -0.036 5.498 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.537 1.160 5.380 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.760 -0.224 7.723 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.291 1.069 8.803 1.00 0.00 H new ATOM 869 N GLY A 57 -8.979 -0.897 2.847 1.00 0.00 N ATOM 870 CA GLY A 57 -9.100 -2.308 2.530 1.00 0.00 C ATOM 871 C GLY A 57 -8.693 -2.637 1.104 1.00 0.00 C ATOM 872 O GLY A 57 -8.923 -3.749 0.631 1.00 0.00 O ATOM 0 H GLY A 57 -8.078 -0.623 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.482 -2.883 3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.132 -2.622 2.688 1.00 0.00 H new ATOM 876 N ASP A 58 -8.100 -1.670 0.422 1.00 0.00 N ATOM 877 CA ASP A 58 -7.650 -1.856 -0.956 1.00 0.00 C ATOM 878 C ASP A 58 -6.229 -2.403 -0.988 1.00 0.00 C ATOM 879 O ASP A 58 -5.418 -2.119 -0.101 1.00 0.00 O ATOM 880 CB ASP A 58 -7.704 -0.533 -1.715 1.00 0.00 C ATOM 881 CG ASP A 58 -8.100 -0.714 -3.163 1.00 0.00 C ATOM 882 OD1 ASP A 58 -7.850 -1.802 -3.721 1.00 0.00 O ATOM 883 OD2 ASP A 58 -8.670 0.234 -3.748 1.00 0.00 O ATOM 0 H ASP A 58 -7.916 -0.741 0.800 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.316 -2.573 -1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.415 0.134 -1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.729 -0.049 -1.666 1.00 0.00 H new ATOM 888 N LEU A 59 -5.935 -3.185 -2.015 1.00 0.00 N ATOM 889 CA LEU A 59 -4.617 -3.770 -2.181 1.00 0.00 C ATOM 890 C LEU A 59 -3.784 -2.903 -3.114 1.00 0.00 C ATOM 891 O LEU A 59 -4.231 -2.532 -4.200 1.00 0.00 O ATOM 892 CB LEU A 59 -4.722 -5.202 -2.726 1.00 0.00 C ATOM 893 CG LEU A 59 -3.423 -5.787 -3.290 1.00 0.00 C ATOM 894 CD1 LEU A 59 -2.517 -6.284 -2.173 1.00 0.00 C ATOM 895 CD2 LEU A 59 -3.727 -6.908 -4.270 1.00 0.00 C ATOM 0 H LEU A 59 -6.598 -3.430 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.128 -3.816 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.076 -5.852 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.479 -5.220 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.897 -4.994 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.602 -6.694 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.268 -5.455 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.031 -7.060 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.793 -7.312 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.279 -7.697 -3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.327 -6.519 -5.093 1.00 0.00 H new ATOM 907 N ILE A 60 -2.578 -2.577 -2.684 1.00 0.00 N ATOM 908 CA ILE A 60 -1.689 -1.747 -3.476 1.00 0.00 C ATOM 909 C ILE A 60 -0.863 -2.613 -4.416 1.00 0.00 C ATOM 910 O ILE A 60 -0.222 -3.574 -3.989 1.00 0.00 O ATOM 911 CB ILE A 60 -0.749 -0.896 -2.589 1.00 0.00 C ATOM 912 CG1 ILE A 60 -1.540 0.131 -1.778 1.00 0.00 C ATOM 913 CG2 ILE A 60 0.287 -0.175 -3.440 1.00 0.00 C ATOM 914 CD1 ILE A 60 -2.267 -0.432 -0.575 1.00 0.00 C ATOM 0 H ILE A 60 -2.191 -2.875 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.310 -1.064 -4.055 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.243 -1.575 -1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.857 0.910 -1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.268 0.608 -2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.938 0.418 -2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.884 -0.907 -3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.218 0.481 -4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.799 0.370 -0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.980 -1.189 -0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.546 -0.883 0.108 1.00 0.00 H new ATOM 926 N THR A 61 -0.909 -2.286 -5.696 1.00 0.00 N ATOM 927 CA THR A 61 -0.169 -3.025 -6.699 1.00 0.00 C ATOM 928 C THR A 61 1.084 -2.257 -7.119 1.00 0.00 C ATOM 929 O THR A 61 2.154 -2.840 -7.321 1.00 0.00 O ATOM 930 CB THR A 61 -1.049 -3.305 -7.936 1.00 0.00 C ATOM 931 OG1 THR A 61 -1.347 -2.080 -8.623 1.00 0.00 O ATOM 932 CG2 THR A 61 -2.349 -3.985 -7.528 1.00 0.00 C ATOM 0 H THR A 61 -1.456 -1.508 -6.065 1.00 0.00 H new ATOM 0 HA THR A 61 0.130 -3.977 -6.259 1.00 0.00 H new ATOM 0 HB THR A 61 -0.496 -3.967 -8.602 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.613 -1.861 -9.235 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.955 -4.174 -8.414 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.126 -4.930 -7.033 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.899 -3.339 -6.844 1.00 0.00 H new ATOM 940 N HIS A 62 0.949 -0.940 -7.222 1.00 0.00 N ATOM 941 CA HIS A 62 2.051 -0.082 -7.640 1.00 0.00 C ATOM 942 C HIS A 62 2.057 1.215 -6.852 1.00 0.00 C ATOM 943 O HIS A 62 1.044 1.609 -6.280 1.00 0.00 O ATOM 944 CB HIS A 62 1.926 0.254 -9.131 1.00 0.00 C ATOM 945 CG HIS A 62 2.035 -0.928 -10.044 1.00 0.00 C ATOM 946 ND1 HIS A 62 0.925 -1.649 -10.417 1.00 0.00 N ATOM 947 CD2 HIS A 62 3.131 -1.478 -10.617 1.00 0.00 C ATOM 948 CE1 HIS A 62 1.367 -2.615 -11.202 1.00 0.00 C ATOM 949 NE2 HIS A 62 2.698 -2.551 -11.352 1.00 0.00 N ATOM 0 H HIS A 62 0.082 -0.441 -7.021 1.00 0.00 H new ATOM 0 HA HIS A 62 2.979 -0.622 -7.455 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.966 0.742 -9.302 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.701 0.974 -9.395 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.151 -1.137 -10.515 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.737 -3.361 -11.664 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.278 -3.181 -11.907 1.00 0.00 H new ATOM 957 N VAL A 63 3.201 1.874 -6.825 1.00 0.00 N ATOM 958 CA VAL A 63 3.332 3.143 -6.141 1.00 0.00 C ATOM 959 C VAL A 63 4.213 4.090 -6.951 1.00 0.00 C ATOM 960 O VAL A 63 5.406 3.847 -7.137 1.00 0.00 O ATOM 961 CB VAL A 63 3.887 2.982 -4.707 1.00 0.00 C ATOM 962 CG1 VAL A 63 5.238 2.285 -4.696 1.00 0.00 C ATOM 963 CG2 VAL A 63 3.963 4.335 -4.020 1.00 0.00 C ATOM 0 H VAL A 63 4.057 1.547 -7.273 1.00 0.00 H new ATOM 0 HA VAL A 63 2.333 3.569 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 63 3.199 2.345 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.591 2.193 -3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.139 1.293 -5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.954 2.869 -5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.355 4.209 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.622 4.994 -4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.967 4.774 -3.970 1.00 0.00 H new ATOM 973 N ASN A 64 3.589 5.133 -7.489 1.00 0.00 N ATOM 974 CA ASN A 64 4.288 6.145 -8.282 1.00 0.00 C ATOM 975 C ASN A 64 4.936 5.533 -9.515 1.00 0.00 C ATOM 976 O ASN A 64 5.919 6.058 -10.044 1.00 0.00 O ATOM 977 CB ASN A 64 5.348 6.834 -7.430 1.00 0.00 C ATOM 978 CG ASN A 64 5.290 8.344 -7.543 1.00 0.00 C ATOM 979 OD1 ASN A 64 4.243 8.916 -7.857 1.00 0.00 O ATOM 980 ND2 ASN A 64 6.406 9.000 -7.282 1.00 0.00 N ATOM 0 H ASN A 64 2.588 5.303 -7.390 1.00 0.00 H new ATOM 0 HA ASN A 64 3.553 6.878 -8.614 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.216 6.545 -6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.336 6.488 -7.734 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.424 10.018 -7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.250 8.488 -7.026 1.00 0.00 H new ATOM 987 N GLY A 65 4.372 4.431 -9.976 1.00 0.00 N ATOM 988 CA GLY A 65 4.915 3.755 -11.128 1.00 0.00 C ATOM 989 C GLY A 65 6.076 2.860 -10.762 1.00 0.00 C ATOM 990 O GLY A 65 7.108 2.854 -11.435 1.00 0.00 O ATOM 0 H GLY A 65 3.545 3.992 -9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.134 3.160 -11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.242 4.493 -11.861 1.00 0.00 H new ATOM 994 N GLU A 66 5.904 2.117 -9.686 1.00 0.00 N ATOM 995 CA GLU A 66 6.895 1.204 -9.199 1.00 0.00 C ATOM 996 C GLU A 66 6.202 0.086 -8.430 1.00 0.00 C ATOM 997 O GLU A 66 5.594 0.328 -7.388 1.00 0.00 O ATOM 998 CB GLU A 66 7.855 1.947 -8.285 1.00 0.00 C ATOM 999 CG GLU A 66 9.297 1.477 -8.389 1.00 0.00 C ATOM 1000 CD GLU A 66 9.821 1.490 -9.812 1.00 0.00 C ATOM 1001 OE1 GLU A 66 9.673 0.466 -10.518 1.00 0.00 O ATOM 1002 OE2 GLU A 66 10.384 2.524 -10.231 1.00 0.00 O ATOM 0 H GLU A 66 5.054 2.138 -9.123 1.00 0.00 H new ATOM 0 HA GLU A 66 7.454 0.778 -10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.813 3.011 -8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.520 1.833 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.927 2.115 -7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.374 0.466 -7.988 1.00 0.00 H new ATOM 1009 N PRO A 67 6.213 -1.131 -8.991 1.00 0.00 N ATOM 1010 CA PRO A 67 5.614 -2.306 -8.381 1.00 0.00 C ATOM 1011 C PRO A 67 6.062 -2.472 -6.945 1.00 0.00 C ATOM 1012 O PRO A 67 7.251 -2.410 -6.628 1.00 0.00 O ATOM 1013 CB PRO A 67 6.100 -3.481 -9.243 1.00 0.00 C ATOM 1014 CG PRO A 67 7.087 -2.906 -10.202 1.00 0.00 C ATOM 1015 CD PRO A 67 6.797 -1.435 -10.279 1.00 0.00 C ATOM 0 HA PRO A 67 4.527 -2.236 -8.347 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.559 -4.254 -8.626 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.269 -3.947 -9.771 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.107 -3.083 -9.862 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.992 -3.372 -11.183 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.704 -0.857 -10.453 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.111 -1.205 -11.094 1.00 0.00 H new ATOM 1023 N VAL A 68 5.091 -2.697 -6.096 1.00 0.00 N ATOM 1024 CA VAL A 68 5.330 -2.857 -4.668 1.00 0.00 C ATOM 1025 C VAL A 68 5.618 -4.305 -4.371 1.00 0.00 C ATOM 1026 O VAL A 68 5.981 -4.685 -3.261 1.00 0.00 O ATOM 1027 CB VAL A 68 4.129 -2.384 -3.824 1.00 0.00 C ATOM 1028 CG1 VAL A 68 3.849 -0.910 -4.075 1.00 0.00 C ATOM 1029 CG2 VAL A 68 2.895 -3.224 -4.118 1.00 0.00 C ATOM 0 H VAL A 68 4.111 -2.776 -6.366 1.00 0.00 H new ATOM 0 HA VAL A 68 6.185 -2.237 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 68 4.381 -2.512 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.998 -0.593 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.726 -0.322 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.622 -0.757 -5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.061 -2.871 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.638 -3.136 -5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.100 -4.268 -3.881 1.00 0.00 H new ATOM 1039 N HIS A 69 5.412 -5.088 -5.400 1.00 0.00 N ATOM 1040 CA HIS A 69 5.610 -6.503 -5.394 1.00 0.00 C ATOM 1041 C HIS A 69 7.039 -6.869 -4.990 1.00 0.00 C ATOM 1042 O HIS A 69 7.945 -6.877 -5.823 1.00 0.00 O ATOM 1043 CB HIS A 69 5.282 -6.991 -6.795 1.00 0.00 C ATOM 1044 CG HIS A 69 3.814 -7.028 -7.098 1.00 0.00 C ATOM 1045 ND1 HIS A 69 3.279 -7.949 -7.967 1.00 0.00 N ATOM 1046 CD2 HIS A 69 2.825 -6.226 -6.639 1.00 0.00 C ATOM 1047 CE1 HIS A 69 1.983 -7.685 -8.018 1.00 0.00 C ATOM 1048 NE2 HIS A 69 1.662 -6.649 -7.229 1.00 0.00 N ATOM 0 H HIS A 69 5.088 -4.735 -6.300 1.00 0.00 H new ATOM 0 HA HIS A 69 4.965 -6.981 -4.657 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.776 -6.344 -7.519 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.695 -7.991 -6.927 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.932 -5.409 -5.941 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.274 -8.234 -8.619 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.732 -6.252 -7.094 1.00 0.00 H new ATOM 1056 N GLY A 70 7.237 -7.149 -3.711 1.00 0.00 N ATOM 1057 CA GLY A 70 8.556 -7.508 -3.230 1.00 0.00 C ATOM 1058 C GLY A 70 9.142 -6.456 -2.308 1.00 0.00 C ATOM 1059 O GLY A 70 10.159 -6.692 -1.648 1.00 0.00 O ATOM 0 H GLY A 70 6.509 -7.134 -2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.500 -8.460 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.222 -7.654 -4.080 1.00 0.00 H new ATOM 1063 N LEU A 71 8.510 -5.288 -2.266 1.00 0.00 N ATOM 1064 CA LEU A 71 8.973 -4.204 -1.410 1.00 0.00 C ATOM 1065 C LEU A 71 8.616 -4.512 0.032 1.00 0.00 C ATOM 1066 O LEU A 71 7.526 -5.001 0.310 1.00 0.00 O ATOM 1067 CB LEU A 71 8.333 -2.867 -1.808 1.00 0.00 C ATOM 1068 CG LEU A 71 8.760 -2.276 -3.154 1.00 0.00 C ATOM 1069 CD1 LEU A 71 8.210 -0.863 -3.301 1.00 0.00 C ATOM 1070 CD2 LEU A 71 10.276 -2.276 -3.292 1.00 0.00 C ATOM 0 H LEU A 71 7.678 -5.069 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 71 10.054 -4.119 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.251 -2.998 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.556 -2.137 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 71 8.351 -2.899 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.519 -0.450 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.121 -0.889 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.596 -0.237 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.554 -1.851 -4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.714 -1.678 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.647 -3.299 -3.225 1.00 0.00 H new ATOM 1082 N VAL A 72 9.528 -4.232 0.944 1.00 0.00 N ATOM 1083 CA VAL A 72 9.277 -4.475 2.353 1.00 0.00 C ATOM 1084 C VAL A 72 8.380 -3.365 2.913 1.00 0.00 C ATOM 1085 O VAL A 72 8.168 -2.346 2.254 1.00 0.00 O ATOM 1086 CB VAL A 72 10.607 -4.585 3.148 1.00 0.00 C ATOM 1087 CG1 VAL A 72 11.092 -3.226 3.628 1.00 0.00 C ATOM 1088 CG2 VAL A 72 10.462 -5.553 4.315 1.00 0.00 C ATOM 0 H VAL A 72 10.446 -3.838 0.736 1.00 0.00 H new ATOM 0 HA VAL A 72 8.761 -5.429 2.462 1.00 0.00 H new ATOM 0 HB VAL A 72 11.362 -4.978 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.024 -3.346 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.260 -2.575 2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.340 -2.781 4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.406 -5.614 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.680 -5.199 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.196 -6.540 3.938 1.00 0.00 H new ATOM 1098 N HIS A 73 7.848 -3.583 4.112 1.00 0.00 N ATOM 1099 CA HIS A 73 6.956 -2.632 4.786 1.00 0.00 C ATOM 1100 C HIS A 73 7.453 -1.196 4.709 1.00 0.00 C ATOM 1101 O HIS A 73 6.708 -0.270 4.406 1.00 0.00 O ATOM 1102 CB HIS A 73 6.855 -3.008 6.260 1.00 0.00 C ATOM 1103 CG HIS A 73 5.740 -2.326 6.991 1.00 0.00 C ATOM 1104 ND1 HIS A 73 4.420 -2.714 6.927 1.00 0.00 N ATOM 1105 CD2 HIS A 73 5.777 -1.269 7.836 1.00 0.00 C ATOM 1106 CE1 HIS A 73 3.715 -1.900 7.713 1.00 0.00 C ATOM 1107 NE2 HIS A 73 4.491 -1.007 8.287 1.00 0.00 N ATOM 0 H HIS A 73 8.023 -4.431 4.652 1.00 0.00 H new ATOM 0 HA HIS A 73 5.993 -2.687 4.279 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.721 -4.087 6.340 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.798 -2.767 6.751 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.664 -0.719 8.114 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.647 -1.965 7.859 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.206 -0.271 8.933 1.00 0.00 H new ATOM 1115 N THR A 74 8.719 -1.028 4.987 1.00 0.00 N ATOM 1116 CA THR A 74 9.328 0.281 5.021 1.00 0.00 C ATOM 1117 C THR A 74 9.683 0.802 3.634 1.00 0.00 C ATOM 1118 O THR A 74 9.810 2.009 3.438 1.00 0.00 O ATOM 1119 CB THR A 74 10.574 0.225 5.915 1.00 0.00 C ATOM 1120 OG1 THR A 74 11.631 -0.471 5.242 1.00 0.00 O ATOM 1121 CG2 THR A 74 10.237 -0.509 7.206 1.00 0.00 C ATOM 0 H THR A 74 9.360 -1.793 5.197 1.00 0.00 H new ATOM 0 HA THR A 74 8.601 0.982 5.431 1.00 0.00 H new ATOM 0 HB THR A 74 10.897 1.242 6.138 1.00 0.00 H new ATOM 0 HG1 THR A 74 12.423 -0.500 5.819 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.121 -0.550 7.843 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.439 0.019 7.727 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.910 -1.522 6.974 1.00 0.00 H new ATOM 1129 N GLU A 75 9.811 -0.096 2.666 1.00 0.00 N ATOM 1130 CA GLU A 75 10.155 0.298 1.312 1.00 0.00 C ATOM 1131 C GLU A 75 9.006 1.037 0.641 1.00 0.00 C ATOM 1132 O GLU A 75 9.232 2.013 -0.068 1.00 0.00 O ATOM 1133 CB GLU A 75 10.567 -0.909 0.488 1.00 0.00 C ATOM 1134 CG GLU A 75 12.038 -1.259 0.638 1.00 0.00 C ATOM 1135 CD GLU A 75 12.451 -2.437 -0.216 1.00 0.00 C ATOM 1136 OE1 GLU A 75 12.022 -3.570 0.079 1.00 0.00 O ATOM 1137 OE2 GLU A 75 13.217 -2.236 -1.182 1.00 0.00 O ATOM 0 H GLU A 75 9.682 -1.099 2.796 1.00 0.00 H new ATOM 0 HA GLU A 75 11.002 0.981 1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.963 -1.767 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.351 -0.715 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.642 -0.392 0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.249 -1.483 1.684 1.00 0.00 H new ATOM 1144 N VAL A 76 7.774 0.577 0.857 1.00 0.00 N ATOM 1145 CA VAL A 76 6.625 1.249 0.264 1.00 0.00 C ATOM 1146 C VAL A 76 6.487 2.642 0.857 1.00 0.00 C ATOM 1147 O VAL A 76 6.271 3.620 0.144 1.00 0.00 O ATOM 1148 CB VAL A 76 5.306 0.469 0.443 1.00 0.00 C ATOM 1149 CG1 VAL A 76 5.265 -0.705 -0.512 1.00 0.00 C ATOM 1150 CG2 VAL A 76 5.100 0.009 1.884 1.00 0.00 C ATOM 0 H VAL A 76 7.551 -0.240 1.426 1.00 0.00 H new ATOM 0 HA VAL A 76 6.810 1.308 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 76 4.484 1.146 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.330 -1.250 -0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.330 -0.342 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.105 -1.369 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.159 -0.535 1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.922 -0.644 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.072 0.877 2.543 1.00 0.00 H new ATOM 1160 N VAL A 77 6.605 2.708 2.176 1.00 0.00 N ATOM 1161 CA VAL A 77 6.559 3.963 2.903 1.00 0.00 C ATOM 1162 C VAL A 77 7.608 4.923 2.350 1.00 0.00 C ATOM 1163 O VAL A 77 7.320 6.088 2.075 1.00 0.00 O ATOM 1164 CB VAL A 77 6.816 3.728 4.402 1.00 0.00 C ATOM 1165 CG1 VAL A 77 6.807 5.039 5.172 1.00 0.00 C ATOM 1166 CG2 VAL A 77 5.792 2.758 4.979 1.00 0.00 C ATOM 0 H VAL A 77 6.735 1.890 2.771 1.00 0.00 H new ATOM 0 HA VAL A 77 5.567 4.398 2.779 1.00 0.00 H new ATOM 0 HB VAL A 77 7.806 3.284 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.991 4.842 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.587 5.694 4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.837 5.522 5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.992 2.606 6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.790 3.169 4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.860 1.804 4.457 1.00 0.00 H new ATOM 1176 N GLU A 78 8.823 4.414 2.170 1.00 0.00 N ATOM 1177 CA GLU A 78 9.914 5.213 1.635 1.00 0.00 C ATOM 1178 C GLU A 78 9.621 5.628 0.209 1.00 0.00 C ATOM 1179 O GLU A 78 9.865 6.767 -0.167 1.00 0.00 O ATOM 1180 CB GLU A 78 11.227 4.455 1.688 1.00 0.00 C ATOM 1181 CG GLU A 78 11.894 4.555 3.038 1.00 0.00 C ATOM 1182 CD GLU A 78 13.394 4.356 2.970 1.00 0.00 C ATOM 1183 OE1 GLU A 78 13.955 4.379 1.853 1.00 0.00 O ATOM 1184 OE2 GLU A 78 14.025 4.190 4.034 1.00 0.00 O ATOM 0 H GLU A 78 9.074 3.450 2.388 1.00 0.00 H new ATOM 0 HA GLU A 78 10.004 6.105 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.048 3.406 1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.899 4.844 0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.681 5.532 3.471 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.463 3.809 3.707 1.00 0.00 H new ATOM 1191 N LEU A 79 9.126 4.685 -0.585 1.00 0.00 N ATOM 1192 CA LEU A 79 8.763 4.952 -1.975 1.00 0.00 C ATOM 1193 C LEU A 79 7.808 6.142 -2.040 1.00 0.00 C ATOM 1194 O LEU A 79 7.941 7.017 -2.895 1.00 0.00 O ATOM 1195 CB LEU A 79 8.099 3.721 -2.609 1.00 0.00 C ATOM 1196 CG LEU A 79 8.698 3.254 -3.945 1.00 0.00 C ATOM 1197 CD1 LEU A 79 8.785 4.404 -4.936 1.00 0.00 C ATOM 1198 CD2 LEU A 79 10.069 2.634 -3.724 1.00 0.00 C ATOM 0 H LEU A 79 8.966 3.722 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 79 9.671 5.182 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.154 2.896 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.042 3.940 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 79 8.037 2.496 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.212 4.046 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.787 4.801 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.418 5.191 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.479 2.308 -4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.734 3.372 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.977 1.776 -3.058 1.00 0.00 H new ATOM 1210 N ILE A 80 6.859 6.168 -1.113 1.00 0.00 N ATOM 1211 CA ILE A 80 5.888 7.237 -1.040 1.00 0.00 C ATOM 1212 C ILE A 80 6.558 8.549 -0.636 1.00 0.00 C ATOM 1213 O ILE A 80 6.399 9.571 -1.307 1.00 0.00 O ATOM 1214 CB ILE A 80 4.773 6.867 -0.047 1.00 0.00 C ATOM 1215 CG1 ILE A 80 3.829 5.860 -0.692 1.00 0.00 C ATOM 1216 CG2 ILE A 80 4.016 8.094 0.399 1.00 0.00 C ATOM 1217 CD1 ILE A 80 3.137 4.963 0.300 1.00 0.00 C ATOM 0 H ILE A 80 6.746 5.450 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 80 5.446 7.376 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 80 5.226 6.418 0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.077 6.398 -1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.392 5.245 -1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.234 7.804 1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.702 8.787 0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.565 8.578 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.481 4.272 -0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.882 4.398 0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.547 5.568 0.988 1.00 0.00 H new ATOM 1229 N LEU A 81 7.308 8.508 0.460 1.00 0.00 N ATOM 1230 CA LEU A 81 8.021 9.684 0.957 1.00 0.00 C ATOM 1231 C LEU A 81 9.012 10.204 -0.083 1.00 0.00 C ATOM 1232 O LEU A 81 9.273 11.403 -0.167 1.00 0.00 O ATOM 1233 CB LEU A 81 8.754 9.351 2.261 1.00 0.00 C ATOM 1234 CG LEU A 81 7.859 8.917 3.424 1.00 0.00 C ATOM 1235 CD1 LEU A 81 8.699 8.499 4.621 1.00 0.00 C ATOM 1236 CD2 LEU A 81 6.909 10.039 3.805 1.00 0.00 C ATOM 0 H LEU A 81 7.440 7.669 1.025 1.00 0.00 H new ATOM 0 HA LEU A 81 7.287 10.466 1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.473 8.556 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.325 10.226 2.571 1.00 0.00 H new ATOM 0 HG LEU A 81 7.270 8.057 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.044 8.194 5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.342 7.665 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.315 9.338 4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.278 9.716 4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.483 10.915 4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.283 10.292 2.949 1.00 0.00 H new ATOM 1248 N LYS A 82 9.570 9.277 -0.857 1.00 0.00 N ATOM 1249 CA LYS A 82 10.534 9.588 -1.903 1.00 0.00 C ATOM 1250 C LYS A 82 9.926 10.485 -2.966 1.00 0.00 C ATOM 1251 O LYS A 82 10.586 11.379 -3.496 1.00 0.00 O ATOM 1252 CB LYS A 82 10.999 8.306 -2.555 1.00 0.00 C ATOM 1253 CG LYS A 82 12.303 8.425 -3.328 1.00 0.00 C ATOM 1254 CD LYS A 82 12.360 7.425 -4.470 1.00 0.00 C ATOM 1255 CE LYS A 82 12.553 6.002 -3.967 1.00 0.00 C ATOM 1256 NZ LYS A 82 13.990 5.660 -3.809 1.00 0.00 N ATOM 0 H LYS A 82 9.363 8.282 -0.773 1.00 0.00 H new ATOM 0 HA LYS A 82 11.373 10.111 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.117 7.544 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.221 7.956 -3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.404 9.436 -3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.144 8.260 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.439 7.483 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.177 7.687 -5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.044 5.883 -3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.088 5.305 -4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.078 4.683 -3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.471 5.749 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.428 6.309 -3.125 1.00 0.00 H new ATOM 1270 N SER A 83 8.670 10.214 -3.283 1.00 0.00 N ATOM 1271 CA SER A 83 7.945 10.974 -4.288 1.00 0.00 C ATOM 1272 C SER A 83 7.944 12.464 -3.951 1.00 0.00 C ATOM 1273 O SER A 83 8.328 13.292 -4.777 1.00 0.00 O ATOM 1274 CB SER A 83 6.516 10.447 -4.400 1.00 0.00 C ATOM 1275 OG SER A 83 5.795 11.128 -5.410 1.00 0.00 O ATOM 0 H SER A 83 8.127 9.465 -2.853 1.00 0.00 H new ATOM 0 HA SER A 83 8.446 10.851 -5.248 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.536 9.380 -4.621 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.006 10.565 -3.444 1.00 0.00 H new ATOM 0 HG SER A 83 5.038 11.602 -5.008 1.00 0.00 H new ATOM 1281 N GLY A 84 7.526 12.807 -2.742 1.00 0.00 N ATOM 1282 CA GLY A 84 7.513 14.200 -2.350 1.00 0.00 C ATOM 1283 C GLY A 84 6.265 14.592 -1.591 1.00 0.00 C ATOM 1284 O GLY A 84 5.823 13.875 -0.695 1.00 0.00 O ATOM 0 H GLY A 84 7.199 12.153 -2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.387 14.405 -1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.600 14.823 -3.241 1.00 0.00 H new ATOM 1288 N ASN A 85 5.688 15.726 -1.964 1.00 0.00 N ATOM 1289 CA ASN A 85 4.486 16.243 -1.309 1.00 0.00 C ATOM 1290 C ASN A 85 3.246 15.446 -1.692 1.00 0.00 C ATOM 1291 O ASN A 85 2.154 15.697 -1.186 1.00 0.00 O ATOM 1292 CB ASN A 85 4.277 17.718 -1.661 1.00 0.00 C ATOM 1293 CG ASN A 85 4.107 17.958 -3.152 1.00 0.00 C ATOM 1294 OD1 ASN A 85 2.999 17.924 -3.682 1.00 0.00 O ATOM 1295 ND2 ASN A 85 5.210 18.220 -3.839 1.00 0.00 N ATOM 0 H ASN A 85 6.034 16.313 -2.723 1.00 0.00 H new ATOM 0 HA ASN A 85 4.636 16.142 -0.234 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.396 18.089 -1.137 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.129 18.295 -1.301 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.156 18.402 -4.841 1.00 0.00 H new ATOM 0 HD22 ASN A 85 6.113 18.240 -3.365 1.00 0.00 H new ATOM 1302 N LYS A 86 3.420 14.468 -2.559 1.00 0.00 N ATOM 1303 CA LYS A 86 2.325 13.642 -3.009 1.00 0.00 C ATOM 1304 C LYS A 86 2.843 12.341 -3.581 1.00 0.00 C ATOM 1305 O LYS A 86 4.052 12.151 -3.697 1.00 0.00 O ATOM 1306 CB LYS A 86 1.525 14.376 -4.065 1.00 0.00 C ATOM 1307 CG LYS A 86 2.366 14.966 -5.183 1.00 0.00 C ATOM 1308 CD LYS A 86 1.512 15.351 -6.377 1.00 0.00 C ATOM 1309 CE LYS A 86 2.361 15.879 -7.520 1.00 0.00 C ATOM 1310 NZ LYS A 86 3.340 14.870 -8.003 1.00 0.00 N ATOM 0 H LYS A 86 4.323 14.227 -2.968 1.00 0.00 H new ATOM 0 HA LYS A 86 1.684 13.422 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.797 13.689 -4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.962 15.178 -3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.897 15.844 -4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.121 14.243 -5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.944 14.484 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.788 16.110 -6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.713 16.178 -8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.893 16.772 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.703 15.157 -8.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.130 14.802 -7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.873 13.944 -8.083 1.00 0.00 H new ATOM 1324 N VAL A 87 1.924 11.456 -3.939 1.00 0.00 N ATOM 1325 CA VAL A 87 2.300 10.146 -4.489 1.00 0.00 C ATOM 1326 C VAL A 87 1.112 9.416 -5.129 1.00 0.00 C ATOM 1327 O VAL A 87 -0.030 9.554 -4.691 1.00 0.00 O ATOM 1328 CB VAL A 87 2.918 9.250 -3.390 1.00 0.00 C ATOM 1329 CG1 VAL A 87 1.889 8.920 -2.319 1.00 0.00 C ATOM 1330 CG2 VAL A 87 3.519 7.983 -3.984 1.00 0.00 C ATOM 0 H VAL A 87 0.919 11.612 -3.863 1.00 0.00 H new ATOM 0 HA VAL A 87 3.037 10.337 -5.269 1.00 0.00 H new ATOM 0 HB VAL A 87 3.727 9.808 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.347 8.289 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.533 9.842 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.050 8.392 -2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.945 7.374 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.741 7.417 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.301 8.250 -4.695 1.00 0.00 H new ATOM 1340 N ALA A 88 1.404 8.649 -6.175 1.00 0.00 N ATOM 1341 CA ALA A 88 0.394 7.875 -6.900 1.00 0.00 C ATOM 1342 C ALA A 88 0.287 6.453 -6.367 1.00 0.00 C ATOM 1343 O ALA A 88 1.069 5.583 -6.743 1.00 0.00 O ATOM 1344 CB ALA A 88 0.718 7.840 -8.384 1.00 0.00 C ATOM 0 H ALA A 88 2.348 8.544 -6.547 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.566 8.369 -6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.042 7.261 -8.909 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.735 8.857 -8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.694 7.377 -8.533 1.00 0.00 H new ATOM 1350 N ILE A 89 -0.668 6.216 -5.488 1.00 0.00 N ATOM 1351 CA ILE A 89 -0.862 4.881 -4.933 1.00 0.00 C ATOM 1352 C ILE A 89 -1.817 4.072 -5.818 1.00 0.00 C ATOM 1353 O ILE A 89 -3.003 4.378 -5.913 1.00 0.00 O ATOM 1354 CB ILE A 89 -1.368 4.928 -3.468 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -1.676 3.526 -2.963 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -2.594 5.816 -3.323 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -1.625 3.420 -1.457 1.00 0.00 C ATOM 0 H ILE A 89 -1.319 6.921 -5.142 1.00 0.00 H new ATOM 0 HA ILE A 89 0.108 4.385 -4.918 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.570 5.358 -2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.666 3.230 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.963 2.824 -3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.918 5.822 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.346 6.831 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.398 5.432 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.853 2.397 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.628 3.687 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.357 4.099 -1.019 1.00 0.00 H new ATOM 1369 N SER A 90 -1.294 3.050 -6.479 1.00 0.00 N ATOM 1370 CA SER A 90 -2.102 2.228 -7.366 1.00 0.00 C ATOM 1371 C SER A 90 -2.738 1.068 -6.610 1.00 0.00 C ATOM 1372 O SER A 90 -2.045 0.162 -6.145 1.00 0.00 O ATOM 1373 CB SER A 90 -1.241 1.712 -8.518 1.00 0.00 C ATOM 1374 OG SER A 90 -1.958 1.710 -9.739 1.00 0.00 O ATOM 0 H SER A 90 -0.315 2.771 -6.418 1.00 0.00 H new ATOM 0 HA SER A 90 -2.908 2.841 -7.770 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.352 2.335 -8.617 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.898 0.702 -8.294 1.00 0.00 H new ATOM 0 HG SER A 90 -1.380 1.377 -10.457 1.00 0.00 H new ATOM 1380 N THR A 91 -4.056 1.115 -6.484 1.00 0.00 N ATOM 1381 CA THR A 91 -4.800 0.078 -5.792 1.00 0.00 C ATOM 1382 C THR A 91 -5.619 -0.740 -6.787 1.00 0.00 C ATOM 1383 O THR A 91 -5.702 -0.386 -7.964 1.00 0.00 O ATOM 1384 CB THR A 91 -5.722 0.690 -4.729 1.00 0.00 C ATOM 1385 OG1 THR A 91 -6.603 1.644 -5.332 1.00 0.00 O ATOM 1386 CG2 THR A 91 -4.906 1.365 -3.638 1.00 0.00 C ATOM 0 H THR A 91 -4.635 1.868 -6.856 1.00 0.00 H new ATOM 0 HA THR A 91 -4.087 -0.580 -5.295 1.00 0.00 H new ATOM 0 HB THR A 91 -6.310 -0.112 -4.282 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.518 1.488 -5.018 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.577 1.793 -2.894 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.257 0.630 -3.162 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.298 2.157 -4.076 1.00 0.00 H new ATOM 1394 N THR A 92 -6.223 -1.833 -6.329 1.00 0.00 N ATOM 1395 CA THR A 92 -6.995 -2.683 -7.225 1.00 0.00 C ATOM 1396 C THR A 92 -8.512 -2.505 -7.053 1.00 0.00 C ATOM 1397 O THR A 92 -9.089 -2.954 -6.061 1.00 0.00 O ATOM 1398 CB THR A 92 -6.602 -4.171 -7.063 1.00 0.00 C ATOM 1399 OG1 THR A 92 -7.464 -5.010 -7.844 1.00 0.00 O ATOM 1400 CG2 THR A 92 -6.652 -4.606 -5.608 1.00 0.00 C ATOM 0 H THR A 92 -6.193 -2.146 -5.359 1.00 0.00 H new ATOM 0 HA THR A 92 -6.748 -2.364 -8.238 1.00 0.00 H new ATOM 0 HB THR A 92 -5.577 -4.275 -7.419 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.200 -5.947 -7.730 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.370 -5.656 -5.532 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.959 -4.001 -5.023 1.00 0.00 H new ATOM 0 HG23 THR A 92 -7.663 -4.473 -5.223 1.00 0.00 H new ATOM 1408 N PRO A 93 -9.176 -1.818 -8.005 1.00 0.00 N ATOM 1409 CA PRO A 93 -10.632 -1.618 -7.968 1.00 0.00 C ATOM 1410 C PRO A 93 -11.423 -2.925 -7.880 1.00 0.00 C ATOM 1411 O PRO A 93 -10.862 -4.018 -7.957 1.00 0.00 O ATOM 1412 CB PRO A 93 -10.935 -0.926 -9.293 1.00 0.00 C ATOM 1413 CG PRO A 93 -9.667 -0.244 -9.662 1.00 0.00 C ATOM 1414 CD PRO A 93 -8.557 -1.111 -9.145 1.00 0.00 C ATOM 0 HA PRO A 93 -10.923 -1.051 -7.084 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.234 -1.645 -10.056 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.753 -0.213 -9.189 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.592 -0.120 -10.742 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.619 0.752 -9.223 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.204 -1.807 -9.906 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.697 -0.519 -8.831 1.00 0.00 H new ATOM 1422 N LEU A 94 -12.735 -2.791 -7.745 1.00 0.00 N ATOM 1423 CA LEU A 94 -13.634 -3.934 -7.639 1.00 0.00 C ATOM 1424 C LEU A 94 -13.616 -4.774 -8.915 1.00 0.00 C ATOM 1425 O LEU A 94 -13.220 -4.292 -9.983 1.00 0.00 O ATOM 1426 CB LEU A 94 -15.069 -3.464 -7.358 1.00 0.00 C ATOM 1427 CG LEU A 94 -15.305 -1.955 -7.401 1.00 0.00 C ATOM 1428 CD1 LEU A 94 -15.333 -1.480 -8.836 1.00 0.00 C ATOM 1429 CD2 LEU A 94 -16.601 -1.596 -6.689 1.00 0.00 C ATOM 0 H LEU A 94 -13.207 -1.888 -7.706 1.00 0.00 H new ATOM 0 HA LEU A 94 -13.285 -4.551 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -15.732 -3.935 -8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.362 -3.829 -6.374 1.00 0.00 H new ATOM 0 HG LEU A 94 -14.487 -1.455 -6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.502 -0.403 -8.860 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.380 -1.709 -9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -16.137 -1.985 -9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -16.752 -0.517 -6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -17.436 -2.098 -7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -16.545 -1.915 -5.648 1.00 0.00 H new ATOM 1441 N GLU A 95 -14.050 -6.024 -8.802 1.00 0.00 N ATOM 1442 CA GLU A 95 -14.084 -6.928 -9.941 1.00 0.00 C ATOM 1443 C GLU A 95 -15.101 -8.045 -9.713 1.00 0.00 C ATOM 1444 O GLU A 95 -15.464 -8.353 -8.575 1.00 0.00 O ATOM 1445 CB GLU A 95 -12.688 -7.516 -10.214 1.00 0.00 C ATOM 1446 CG GLU A 95 -12.279 -8.650 -9.279 1.00 0.00 C ATOM 1447 CD GLU A 95 -11.984 -8.194 -7.862 1.00 0.00 C ATOM 1448 OE1 GLU A 95 -10.826 -7.820 -7.578 1.00 0.00 O ATOM 1449 OE2 GLU A 95 -12.901 -8.233 -7.017 1.00 0.00 O ATOM 0 H GLU A 95 -14.384 -6.434 -7.930 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.391 -6.357 -10.817 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.657 -7.881 -11.241 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.951 -6.717 -10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.075 -9.394 -9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.395 -9.143 -9.684 1.00 0.00 H new