USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 588 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 21 HIS : no HE2:sc= -7.01! C(o=-9.6!,f=-11!) USER MOD Set 1.2: A 53 ASN : amide:sc= -2.63 K(o=-9.6,f=-14!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -2.29 X(o=-2.3,f=-2.1!) USER MOD Single : A 18 HIS : no HD1:sc= -2.11! C(o=-2.1!,f=-2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.43) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 9:sc= 0.503 USER MOD Single : A 31 ASN : amide:sc= -0.716 K(o=-0.72,f=-2.9!) USER MOD Single : A 33 ASN : amide:sc= -0.405 X(o=-0.4,f=-0.19) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.22 K(o=-0.22,f=-2.8!) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.15 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 49:sc= 1.16 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -67:sc= -1.22 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 65 GLN : amide:sc= -0.381 K(o=-0.38,f=-4.1!) USER MOD Single : A 66 GLN : amide:sc= -0.0852 X(o=-0.085,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 56:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -20.658 -0.524 1.493 1.00 6.51 N ATOM 2 CA ILE A 6 -20.121 -1.487 2.445 1.00 5.95 C ATOM 3 C ILE A 6 -20.711 -2.871 2.195 1.00 5.14 C ATOM 4 O ILE A 6 -21.929 -3.050 2.220 1.00 5.46 O ATOM 5 CB ILE A 6 -20.424 -1.030 3.872 1.00 6.67 C ATOM 6 CG1 ILE A 6 -19.624 -1.848 4.888 1.00 7.44 C ATOM 7 CG2 ILE A 6 -21.919 -1.104 4.170 1.00 6.84 C ATOM 8 CD1 ILE A 6 -20.155 -3.274 5.028 1.00 8.10 C ATOM 0 HA ILE A 6 -19.041 -1.547 2.314 1.00 5.95 H new ATOM 0 HB ILE A 6 -20.118 0.013 3.960 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -18.578 -1.880 4.583 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -19.658 -1.353 5.858 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -22.103 -0.773 5.192 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -22.460 -0.460 3.477 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -22.263 -2.132 4.054 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -19.555 -3.815 5.760 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -21.193 -3.245 5.360 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -20.096 -3.780 4.065 1.00 8.10 H new ATOM 20 N ASN A 7 -19.841 -3.845 1.951 1.00 4.48 N ATOM 21 CA ASN A 7 -20.275 -5.214 1.696 1.00 4.06 C ATOM 22 C ASN A 7 -19.278 -6.207 2.282 1.00 3.11 C ATOM 23 O ASN A 7 -19.661 -7.157 2.964 1.00 3.46 O ATOM 24 CB ASN A 7 -20.415 -5.445 0.194 1.00 4.82 C ATOM 25 CG ASN A 7 -21.652 -6.285 -0.097 1.00 5.60 C ATOM 26 OD1 ASN A 7 -21.862 -7.333 0.515 1.00 5.87 O ATOM 27 ND2 ASN A 7 -22.474 -5.825 -1.033 1.00 6.34 N ATOM 0 H ASN A 7 -18.830 -3.712 1.924 1.00 4.48 H new ATOM 0 HA ASN A 7 -21.243 -5.367 2.174 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -20.487 -4.488 -0.323 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -19.527 -5.948 -0.188 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -23.319 -6.345 -1.270 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -22.261 -4.952 -1.515 1.00 6.34 H new ATOM 34 N ARG A 8 -17.996 -5.979 2.013 1.00 2.49 N ATOM 35 CA ARG A 8 -16.942 -6.852 2.515 1.00 2.11 C ATOM 36 C ARG A 8 -15.575 -6.211 2.314 1.00 1.69 C ATOM 37 O ARG A 8 -15.331 -5.546 1.307 1.00 2.38 O ATOM 38 CB ARG A 8 -16.994 -8.199 1.802 1.00 2.95 C ATOM 39 CG ARG A 8 -17.182 -9.346 2.791 1.00 3.61 C ATOM 40 CD ARG A 8 -16.992 -10.704 2.122 1.00 4.57 C ATOM 41 NE ARG A 8 -16.829 -11.747 3.128 1.00 5.39 N ATOM 42 CZ ARG A 8 -15.909 -11.660 4.082 1.00 6.19 C ATOM 43 NH1 ARG A 8 -14.817 -10.931 3.889 1.00 6.74 N ATOM 44 NH2 ARG A 8 -16.079 -12.299 5.231 1.00 6.68 N ATOM 0 H ARG A 8 -17.663 -5.197 1.450 1.00 2.49 H new ATOM 0 HA ARG A 8 -17.101 -7.006 3.582 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -17.812 -8.200 1.082 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -16.073 -8.350 1.238 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -16.470 -9.241 3.610 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -18.180 -9.291 3.227 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -17.852 -10.929 1.491 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -16.118 -10.677 1.472 1.00 4.57 H new ATOM 0 HE ARG A 8 -17.438 -12.565 3.098 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -14.683 -10.436 3.007 1.00 6.74 H new ATOM 0 HH12 ARG A 8 -14.111 -10.865 4.623 1.00 6.74 H new ATOM 0 HH21 ARG A 8 -16.918 -12.859 5.384 1.00 6.68 H new ATOM 0 HH22 ARG A 8 -15.371 -12.231 5.962 1.00 6.68 H new ATOM 58 N MET A 9 -14.684 -6.416 3.279 1.00 1.18 N ATOM 59 CA MET A 9 -13.339 -5.858 3.211 1.00 0.82 C ATOM 60 C MET A 9 -12.597 -6.398 1.996 1.00 0.72 C ATOM 61 O MET A 9 -12.547 -7.608 1.772 1.00 0.97 O ATOM 62 CB MET A 9 -12.568 -6.200 4.483 1.00 1.08 C ATOM 63 CG MET A 9 -12.552 -5.032 5.463 1.00 1.61 C ATOM 64 SD MET A 9 -14.202 -4.576 6.022 1.00 2.27 S ATOM 65 CE MET A 9 -14.026 -4.777 7.801 1.00 2.82 C ATOM 0 H MET A 9 -14.870 -6.965 4.118 1.00 1.18 H new ATOM 0 HA MET A 9 -13.418 -4.775 3.118 1.00 0.82 H new ATOM 0 HB2 MET A 9 -13.020 -7.069 4.960 1.00 1.08 H new ATOM 0 HB3 MET A 9 -11.545 -6.474 4.226 1.00 1.08 H new ATOM 0 HG2 MET A 9 -11.940 -5.294 6.326 1.00 1.61 H new ATOM 0 HG3 MET A 9 -12.082 -4.171 4.989 1.00 1.61 H new ATOM 0 HE1 MET A 9 -14.968 -4.531 8.290 1.00 2.82 H new ATOM 0 HE2 MET A 9 -13.760 -5.810 8.026 1.00 2.82 H new ATOM 0 HE3 MET A 9 -13.243 -4.113 8.167 1.00 2.82 H new ATOM 75 N ASP A 10 -12.018 -5.492 1.213 1.00 0.49 N ATOM 76 CA ASP A 10 -11.274 -5.875 0.018 1.00 0.42 C ATOM 77 C ASP A 10 -9.782 -5.671 0.236 1.00 0.38 C ATOM 78 O ASP A 10 -9.348 -4.604 0.670 1.00 0.54 O ATOM 79 CB ASP A 10 -11.742 -5.050 -1.176 1.00 0.44 C ATOM 80 CG ASP A 10 -13.106 -5.534 -1.651 1.00 0.86 C ATOM 81 OD1 ASP A 10 -14.085 -5.397 -0.889 1.00 1.53 O ATOM 82 OD2 ASP A 10 -13.193 -6.050 -2.785 1.00 1.55 O ATOM 0 H ASP A 10 -12.050 -4.487 1.385 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.458 -6.930 -0.184 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.798 -3.997 -0.900 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.018 -5.128 -1.987 1.00 0.44 H new ATOM 87 N TYR A 11 -8.998 -6.700 -0.065 1.00 0.40 N ATOM 88 CA TYR A 11 -7.551 -6.632 0.102 1.00 0.37 C ATOM 89 C TYR A 11 -6.845 -6.846 -1.231 1.00 0.34 C ATOM 90 O TYR A 11 -7.468 -7.227 -2.223 1.00 0.38 O ATOM 91 CB TYR A 11 -7.091 -7.684 1.106 1.00 0.42 C ATOM 92 CG TYR A 11 -7.392 -9.093 0.662 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.642 -9.682 -0.340 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.420 -9.805 1.256 1.00 0.54 C ATOM 95 CE1 TYR A 11 -6.918 -10.976 -0.747 1.00 0.67 C ATOM 96 CE2 TYR A 11 -8.696 -11.099 0.851 1.00 0.63 C ATOM 97 CZ TYR A 11 -7.944 -11.678 -0.150 1.00 0.67 C ATOM 98 OH TYR A 11 -8.217 -12.965 -0.554 1.00 0.78 O ATOM 0 H TYR A 11 -9.340 -7.591 -0.426 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.294 -5.641 0.476 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.018 -7.581 1.266 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.576 -7.500 2.065 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.839 -9.131 -0.806 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.009 -9.349 2.038 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -6.332 -11.434 -1.530 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.497 -11.654 1.317 1.00 0.63 H new ATOM 0 HH TYR A 11 -8.968 -13.319 -0.033 1.00 0.78 H new ATOM 108 N VAL A 12 -5.540 -6.597 -1.244 1.00 0.34 N ATOM 109 CA VAL A 12 -4.738 -6.758 -2.451 1.00 0.34 C ATOM 110 C VAL A 12 -3.284 -6.406 -2.166 1.00 0.35 C ATOM 111 O VAL A 12 -2.986 -5.693 -1.207 1.00 0.51 O ATOM 112 CB VAL A 12 -5.283 -5.868 -3.565 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.375 -4.417 -3.101 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.423 -5.981 -4.821 1.00 0.81 C ATOM 0 H VAL A 12 -5.014 -6.282 -0.429 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.792 -7.798 -2.772 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.288 -6.211 -3.811 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.766 -3.800 -3.910 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -6.041 -4.352 -2.241 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.384 -4.061 -2.820 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.831 -5.338 -5.601 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.403 -5.672 -4.593 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.420 -7.014 -5.168 1.00 0.81 H new ATOM 124 N GLU A 13 -2.380 -6.911 -2.997 1.00 0.49 N ATOM 125 CA GLU A 13 -0.956 -6.648 -2.827 1.00 0.54 C ATOM 126 C GLU A 13 -0.326 -6.222 -4.146 1.00 0.50 C ATOM 127 O GLU A 13 -0.691 -6.721 -5.210 1.00 0.60 O ATOM 128 CB GLU A 13 -0.253 -7.896 -2.298 1.00 0.67 C ATOM 129 CG GLU A 13 -1.071 -8.583 -1.208 1.00 1.05 C ATOM 130 CD GLU A 13 -0.437 -9.914 -0.831 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.799 -9.956 -0.651 1.00 2.05 O ATOM 132 OE2 GLU A 13 -1.176 -10.914 -0.714 1.00 1.97 O ATOM 0 H GLU A 13 -2.607 -7.505 -3.795 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.840 -5.837 -2.108 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.081 -8.593 -3.118 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.725 -7.623 -1.902 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.132 -7.940 -0.330 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -2.091 -8.744 -1.557 1.00 1.05 H new ATOM 139 N ILE A 14 0.625 -5.298 -4.067 1.00 0.48 N ATOM 140 CA ILE A 14 1.312 -4.804 -5.254 1.00 0.49 C ATOM 141 C ILE A 14 2.778 -5.216 -5.230 1.00 0.48 C ATOM 142 O ILE A 14 3.508 -4.899 -4.290 1.00 0.43 O ATOM 143 CB ILE A 14 1.201 -3.284 -5.326 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.619 -2.649 -4.002 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.216 -2.860 -5.698 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.575 -1.126 -4.074 1.00 0.63 C ATOM 0 H ILE A 14 0.938 -4.876 -3.193 1.00 0.48 H new ATOM 0 HA ILE A 14 0.841 -5.239 -6.135 1.00 0.49 H new ATOM 0 HB ILE A 14 1.878 -2.933 -6.105 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.959 -2.996 -3.207 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.627 -2.973 -3.744 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.270 -1.772 -5.743 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.477 -3.277 -6.671 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.915 -3.227 -4.946 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.878 -0.707 -3.114 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.254 -0.779 -4.852 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.561 -0.802 -4.307 1.00 0.63 H new ATOM 158 N ASN A 15 3.205 -5.926 -6.269 1.00 0.59 N ATOM 159 CA ASN A 15 4.586 -6.385 -6.367 1.00 0.62 C ATOM 160 C ASN A 15 5.533 -5.201 -6.506 1.00 0.60 C ATOM 161 O ASN A 15 5.388 -4.378 -7.411 1.00 0.78 O ATOM 162 CB ASN A 15 4.745 -7.317 -7.566 1.00 0.79 C ATOM 163 CG ASN A 15 3.630 -8.354 -7.586 1.00 1.31 C ATOM 164 OD1 ASN A 15 2.505 -8.063 -7.993 1.00 2.20 O ATOM 165 ND2 ASN A 15 3.940 -9.569 -7.147 1.00 1.54 N ATOM 0 H ASN A 15 2.614 -6.196 -7.055 1.00 0.59 H new ATOM 0 HA ASN A 15 4.835 -6.928 -5.455 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.728 -6.738 -8.489 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.713 -7.816 -7.521 1.00 0.79 H new ATOM 0 HD21 ASN A 15 3.233 -10.304 -7.138 1.00 1.54 H new ATOM 0 HD22 ASN A 15 4.885 -9.767 -6.819 1.00 1.54 H new ATOM 172 N ILE A 16 6.505 -5.118 -5.602 1.00 0.49 N ATOM 173 CA ILE A 16 7.479 -4.035 -5.621 1.00 0.49 C ATOM 174 C ILE A 16 8.819 -4.515 -5.076 1.00 0.56 C ATOM 175 O ILE A 16 8.872 -5.381 -4.203 1.00 0.66 O ATOM 176 CB ILE A 16 6.962 -2.856 -4.796 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.679 -2.298 -5.411 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.019 -1.759 -4.678 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.183 -1.065 -4.660 1.00 0.84 C ATOM 0 H ILE A 16 6.638 -5.790 -4.846 1.00 0.49 H new ATOM 0 HA ILE A 16 7.623 -3.710 -6.651 1.00 0.49 H new ATOM 0 HB ILE A 16 6.741 -3.218 -3.792 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.858 -2.041 -6.455 1.00 0.63 H new ATOM 0 HG13 ILE A 16 4.906 -3.066 -5.400 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.623 -0.934 -4.086 1.00 0.58 H new ATOM 0 HG22 ILE A 16 8.908 -2.161 -4.191 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.282 -1.399 -5.673 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.269 -0.698 -5.127 1.00 0.84 H new ATOM 0 HD12 ILE A 16 4.979 -1.329 -3.622 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.946 -0.287 -4.694 1.00 0.84 H new ATOM 191 N ASP A 17 9.899 -3.945 -5.598 1.00 0.63 N ATOM 192 CA ASP A 17 11.244 -4.311 -5.171 1.00 0.75 C ATOM 193 C ASP A 17 12.260 -3.297 -5.682 1.00 1.00 C ATOM 194 O ASP A 17 12.829 -3.464 -6.761 1.00 1.75 O ATOM 195 CB ASP A 17 11.589 -5.700 -5.691 1.00 1.27 C ATOM 196 CG ASP A 17 11.604 -5.708 -7.213 1.00 1.63 C ATOM 197 OD1 ASP A 17 10.583 -5.322 -7.822 1.00 2.21 O ATOM 198 OD2 ASP A 17 12.636 -6.099 -7.797 1.00 2.16 O ATOM 0 H ASP A 17 9.869 -3.225 -6.320 1.00 0.63 H new ATOM 0 HA ASP A 17 11.277 -4.316 -4.082 1.00 0.75 H new ATOM 0 HB2 ASP A 17 12.563 -6.006 -5.310 1.00 1.27 H new ATOM 0 HB3 ASP A 17 10.861 -6.424 -5.324 1.00 1.27 H new ATOM 203 N HIS A 18 12.480 -2.246 -4.901 1.00 1.27 N ATOM 204 CA HIS A 18 13.426 -1.198 -5.270 1.00 1.85 C ATOM 205 C HIS A 18 13.493 -0.143 -4.175 1.00 1.32 C ATOM 206 O HIS A 18 13.355 1.052 -4.439 1.00 2.00 O ATOM 207 CB HIS A 18 13.002 -0.555 -6.588 1.00 2.83 C ATOM 208 CG HIS A 18 13.703 -1.138 -7.776 1.00 3.48 C ATOM 209 ND1 HIS A 18 15.067 -1.234 -7.873 1.00 4.01 N ATOM 210 CD2 HIS A 18 13.232 -1.662 -8.937 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.420 -1.780 -9.014 1.00 4.73 C ATOM 212 NE2 HIS A 18 14.319 -2.056 -9.695 1.00 4.84 N ATOM 0 H HIS A 18 12.015 -2.096 -4.006 1.00 1.27 H new ATOM 0 HA HIS A 18 14.414 -1.642 -5.392 1.00 1.85 H new ATOM 0 HB2 HIS A 18 11.926 -0.673 -6.714 1.00 2.83 H new ATOM 0 HB3 HIS A 18 13.202 0.516 -6.544 1.00 2.83 H new ATOM 0 HD2 HIS A 18 12.193 -1.754 -9.218 1.00 4.16 H new ATOM 0 HE1 HIS A 18 16.432 -1.971 -9.340 1.00 4.73 H new ATOM 0 HE2 HIS A 18 14.279 -2.485 -10.619 1.00 4.84 H new ATOM 220 N LYS A 19 13.698 -0.591 -2.941 1.00 0.82 N ATOM 221 CA LYS A 19 13.775 0.315 -1.803 1.00 0.84 C ATOM 222 C LYS A 19 12.533 1.197 -1.751 1.00 0.77 C ATOM 223 O LYS A 19 12.574 2.315 -1.238 1.00 1.13 O ATOM 224 CB LYS A 19 15.027 1.182 -1.907 1.00 1.47 C ATOM 225 CG LYS A 19 16.275 0.419 -1.471 1.00 1.97 C ATOM 226 CD LYS A 19 17.330 1.352 -0.885 1.00 2.72 C ATOM 227 CE LYS A 19 18.647 0.625 -0.634 1.00 3.37 C ATOM 228 NZ LYS A 19 18.861 0.377 0.819 1.00 4.03 N ATOM 0 H LYS A 19 13.814 -1.576 -2.704 1.00 0.82 H new ATOM 0 HA LYS A 19 13.828 -0.274 -0.888 1.00 0.84 H new ATOM 0 HB2 LYS A 19 15.149 1.524 -2.935 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.908 2.071 -1.287 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.002 -0.333 -0.730 1.00 1.97 H new ATOM 0 HG3 LYS A 19 16.694 -0.113 -2.325 1.00 1.97 H new ATOM 0 HD2 LYS A 19 17.498 2.185 -1.567 1.00 2.72 H new ATOM 0 HD3 LYS A 19 16.963 1.775 0.050 1.00 2.72 H new ATOM 0 HE2 LYS A 19 18.649 -0.324 -1.171 1.00 3.37 H new ATOM 0 HE3 LYS A 19 19.472 1.217 -1.029 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.765 -0.119 0.957 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.883 1.284 1.327 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 18.085 -0.208 1.189 1.00 4.03 H new ATOM 242 N PHE A 20 11.429 0.685 -2.289 1.00 0.63 N ATOM 243 CA PHE A 20 10.171 1.420 -2.310 1.00 0.61 C ATOM 244 C PHE A 20 9.631 1.599 -0.898 1.00 0.62 C ATOM 245 O PHE A 20 9.205 2.688 -0.520 1.00 0.95 O ATOM 246 CB PHE A 20 9.146 0.675 -3.160 1.00 0.62 C ATOM 247 CG PHE A 20 9.050 1.199 -4.570 1.00 0.75 C ATOM 248 CD1 PHE A 20 10.200 1.431 -5.307 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.810 1.449 -5.134 1.00 0.96 C ATOM 250 CE1 PHE A 20 10.109 1.911 -6.602 1.00 1.26 C ATOM 251 CE2 PHE A 20 7.720 1.929 -6.429 1.00 1.17 C ATOM 252 CZ PHE A 20 8.870 2.160 -7.163 1.00 1.19 C ATOM 0 H PHE A 20 11.382 -0.240 -2.717 1.00 0.63 H new ATOM 0 HA PHE A 20 10.354 2.404 -2.743 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.408 -0.383 -3.189 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.168 0.748 -2.685 1.00 0.62 H new ATOM 0 HD1 PHE A 20 11.169 1.237 -4.870 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.912 1.269 -4.562 1.00 0.96 H new ATOM 0 HE1 PHE A 20 11.007 2.091 -7.175 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.752 2.123 -6.867 1.00 1.17 H new ATOM 0 HZ PHE A 20 8.800 2.535 -8.174 1.00 1.19 H new ATOM 262 N HIS A 21 9.647 0.520 -0.125 1.00 0.53 N ATOM 263 CA HIS A 21 9.154 0.551 1.246 1.00 0.57 C ATOM 264 C HIS A 21 9.865 1.629 2.052 1.00 0.69 C ATOM 265 O HIS A 21 9.243 2.589 2.507 1.00 1.03 O ATOM 266 CB HIS A 21 9.368 -0.807 1.904 1.00 0.54 C ATOM 267 CG HIS A 21 8.511 -1.886 1.314 1.00 0.47 C ATOM 268 ND1 HIS A 21 7.973 -2.906 2.052 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.091 -2.115 0.042 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.267 -3.713 1.296 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.316 -3.261 0.054 1.00 0.42 N ATOM 0 H HIS A 21 9.997 -0.390 -0.426 1.00 0.53 H new ATOM 0 HA HIS A 21 8.089 0.781 1.223 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.416 -1.090 1.808 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.157 -0.725 2.970 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.104 -3.023 3.057 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.321 -1.511 -0.823 1.00 0.44 H new ATOM 0 HE1 HIS A 21 6.738 -4.593 1.630 1.00 0.45 H new ATOM 279 N ARG A 22 11.172 1.462 2.232 1.00 0.68 N ATOM 280 CA ARG A 22 11.972 2.417 2.991 1.00 0.80 C ATOM 281 C ARG A 22 11.699 3.845 2.528 1.00 0.81 C ATOM 282 O ARG A 22 11.761 4.785 3.319 1.00 0.92 O ATOM 283 CB ARG A 22 13.456 2.097 2.831 1.00 0.93 C ATOM 284 CG ARG A 22 14.151 1.963 4.183 1.00 1.64 C ATOM 285 CD ARG A 22 15.033 3.171 4.483 1.00 2.14 C ATOM 286 NE ARG A 22 14.241 4.241 5.077 1.00 2.73 N ATOM 287 CZ ARG A 22 14.757 5.442 5.318 1.00 3.33 C ATOM 288 NH1 ARG A 22 16.036 5.561 5.643 1.00 3.72 N ATOM 289 NH2 ARG A 22 13.994 6.523 5.234 1.00 3.95 N ATOM 0 H ARG A 22 11.700 0.672 1.861 1.00 0.68 H new ATOM 0 HA ARG A 22 11.695 2.336 4.042 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.570 1.170 2.269 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.938 2.883 2.250 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.403 1.854 4.968 1.00 1.64 H new ATOM 0 HG3 ARG A 22 14.758 1.057 4.193 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.836 2.884 5.162 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.503 3.524 3.565 1.00 2.14 H new ATOM 0 HE ARG A 22 13.265 4.063 5.314 1.00 2.73 H new ATOM 0 HH11 ARG A 22 16.625 4.731 5.708 1.00 3.72 H new ATOM 0 HH12 ARG A 22 16.432 6.483 5.828 1.00 3.72 H new ATOM 0 HH21 ARG A 22 13.009 6.434 4.984 1.00 3.95 H new ATOM 0 HH22 ARG A 22 14.392 7.444 5.419 1.00 3.95 H new ATOM 303 N HIS A 23 11.396 3.999 1.243 1.00 0.90 N ATOM 304 CA HIS A 23 11.112 5.311 0.674 1.00 0.98 C ATOM 305 C HIS A 23 9.682 5.732 0.989 1.00 0.96 C ATOM 306 O HIS A 23 9.446 6.816 1.523 1.00 1.12 O ATOM 307 CB HIS A 23 11.317 5.279 -0.838 1.00 1.02 C ATOM 308 CG HIS A 23 12.634 5.848 -1.264 1.00 1.30 C ATOM 309 ND1 HIS A 23 13.169 6.990 -0.727 1.00 1.83 N ATOM 310 CD2 HIS A 23 13.541 5.438 -2.187 1.00 1.56 C ATOM 311 CE1 HIS A 23 14.327 7.270 -1.276 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.590 6.339 -2.178 1.00 1.86 N ATOM 0 H HIS A 23 11.341 3.230 0.575 1.00 0.90 H new ATOM 0 HA HIS A 23 11.797 6.035 1.116 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.243 4.249 -1.187 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.514 5.837 -1.319 1.00 1.02 H new ATOM 0 HD2 HIS A 23 13.458 4.564 -2.816 1.00 1.56 H new ATOM 0 HE1 HIS A 23 14.956 8.114 -1.034 1.00 2.07 H new ATOM 0 HE2 HIS A 23 15.423 6.294 -2.765 1.00 1.86 H new ATOM 320 N LEU A 24 8.732 4.866 0.654 1.00 0.86 N ATOM 321 CA LEU A 24 7.320 5.137 0.897 1.00 0.87 C ATOM 322 C LEU A 24 7.097 5.568 2.340 1.00 0.97 C ATOM 323 O LEU A 24 6.557 6.644 2.601 1.00 1.16 O ATOM 324 CB LEU A 24 6.491 3.892 0.596 1.00 0.73 C ATOM 325 CG LEU A 24 5.890 3.942 -0.806 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.432 2.806 -1.668 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.365 3.889 -0.741 1.00 1.25 C ATOM 0 H LEU A 24 8.916 3.966 0.211 1.00 0.86 H new ATOM 0 HA LEU A 24 7.006 5.947 0.239 1.00 0.87 H new ATOM 0 HB2 LEU A 24 7.117 3.005 0.692 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.692 3.800 1.332 1.00 0.73 H new ATOM 0 HG LEU A 24 6.180 4.886 -1.267 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.990 2.861 -2.663 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.516 2.894 -1.747 1.00 0.72 H new ATOM 0 HD13 LEU A 24 6.178 1.850 -1.211 1.00 0.72 H new ATOM 0 HD21 LEU A 24 3.956 3.926 -1.751 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.053 2.963 -0.257 1.00 1.25 H new ATOM 0 HD23 LEU A 24 3.995 4.740 -0.169 1.00 1.25 H new ATOM 339 N ILE A 25 7.512 4.722 3.276 1.00 0.92 N ATOM 340 CA ILE A 25 7.354 5.016 4.695 1.00 1.10 C ATOM 341 C ILE A 25 7.946 6.379 5.029 1.00 1.41 C ATOM 342 O ILE A 25 7.540 7.023 5.997 1.00 1.91 O ATOM 343 CB ILE A 25 8.016 3.924 5.537 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.533 3.935 5.375 1.00 0.90 C ATOM 345 CG2 ILE A 25 7.461 2.552 5.177 1.00 1.06 C ATOM 346 CD1 ILE A 25 10.221 3.546 6.678 1.00 0.91 C ATOM 0 H ILE A 25 7.960 3.827 3.078 1.00 0.92 H new ATOM 0 HA ILE A 25 6.289 5.040 4.928 1.00 1.10 H new ATOM 0 HB ILE A 25 7.785 4.134 6.581 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.824 3.243 4.585 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.863 4.927 5.067 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.946 1.791 5.788 1.00 1.06 H new ATOM 0 HG22 ILE A 25 6.387 2.534 5.361 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.652 2.347 4.124 1.00 1.06 H new ATOM 0 HD11 ILE A 25 11.302 3.561 6.537 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.947 4.254 7.460 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.907 2.544 6.970 1.00 0.91 H new ATOM 358 N GLY A 26 8.908 6.816 4.222 1.00 1.49 N ATOM 359 CA GLY A 26 9.557 8.105 4.428 1.00 1.87 C ATOM 360 C GLY A 26 10.108 8.223 5.842 1.00 1.82 C ATOM 361 O GLY A 26 11.104 7.588 6.186 1.00 2.29 O ATOM 0 H GLY A 26 9.256 6.294 3.417 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.366 8.227 3.708 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.843 8.908 4.245 1.00 1.87 H new ATOM 365 N LYS A 27 9.456 9.044 6.660 1.00 1.86 N ATOM 366 CA LYS A 27 9.883 9.250 8.039 1.00 1.91 C ATOM 367 C LYS A 27 9.209 8.249 8.967 1.00 1.62 C ATOM 368 O LYS A 27 8.101 8.482 9.451 1.00 2.38 O ATOM 369 CB LYS A 27 9.553 10.672 8.480 1.00 2.21 C ATOM 370 CG LYS A 27 10.610 11.225 9.432 1.00 2.65 C ATOM 371 CD LYS A 27 11.595 12.138 8.707 1.00 3.30 C ATOM 372 CE LYS A 27 12.975 12.102 9.358 1.00 3.80 C ATOM 373 NZ LYS A 27 14.007 11.592 8.411 1.00 4.51 N ATOM 0 H LYS A 27 8.629 9.578 6.391 1.00 1.86 H new ATOM 0 HA LYS A 27 10.961 9.099 8.092 1.00 1.91 H new ATOM 0 HB2 LYS A 27 9.478 11.317 7.604 1.00 2.21 H new ATOM 0 HB3 LYS A 27 8.579 10.685 8.970 1.00 2.21 H new ATOM 0 HG2 LYS A 27 10.123 11.778 10.235 1.00 2.65 H new ATOM 0 HG3 LYS A 27 11.151 10.400 9.895 1.00 2.65 H new ATOM 0 HD2 LYS A 27 11.676 11.832 7.664 1.00 3.30 H new ATOM 0 HD3 LYS A 27 11.216 13.160 8.711 1.00 3.30 H new ATOM 0 HE2 LYS A 27 13.248 13.103 9.692 1.00 3.80 H new ATOM 0 HE3 LYS A 27 12.945 11.467 10.244 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 14.934 11.579 8.882 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 13.757 10.628 8.112 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 14.051 12.213 7.578 1.00 4.51 H new ATOM 387 N SER A 28 9.886 7.132 9.215 1.00 1.28 N ATOM 388 CA SER A 28 9.360 6.089 10.090 1.00 1.60 C ATOM 389 C SER A 28 7.930 5.732 9.706 1.00 1.60 C ATOM 390 O SER A 28 7.126 5.350 10.557 1.00 2.28 O ATOM 391 CB SER A 28 9.405 6.554 11.541 1.00 1.99 C ATOM 392 OG SER A 28 8.567 7.687 11.723 1.00 2.57 O ATOM 0 H SER A 28 10.804 6.925 8.821 1.00 1.28 H new ATOM 0 HA SER A 28 9.981 5.200 9.977 1.00 1.60 H new ATOM 0 HB2 SER A 28 9.084 5.746 12.199 1.00 1.99 H new ATOM 0 HB3 SER A 28 10.429 6.803 11.819 1.00 1.99 H new ATOM 0 HG SER A 28 8.036 7.834 10.913 1.00 2.57 H new ATOM 398 N GLY A 29 7.616 5.857 8.421 1.00 1.21 N ATOM 399 CA GLY A 29 6.280 5.545 7.926 1.00 1.23 C ATOM 400 C GLY A 29 5.329 6.713 8.138 1.00 1.36 C ATOM 401 O GLY A 29 5.110 7.154 9.267 1.00 2.05 O ATOM 0 H GLY A 29 8.269 6.172 7.703 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.330 5.301 6.865 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.896 4.663 8.438 1.00 1.23 H new ATOM 405 N ALA A 30 4.770 7.214 7.043 1.00 1.00 N ATOM 406 CA ALA A 30 3.842 8.336 7.096 1.00 1.10 C ATOM 407 C ALA A 30 2.830 8.245 5.962 1.00 1.06 C ATOM 408 O ALA A 30 1.628 8.411 6.176 1.00 1.43 O ATOM 409 CB ALA A 30 4.612 9.650 7.002 1.00 1.27 C ATOM 0 H ALA A 30 4.945 6.858 6.103 1.00 1.00 H new ATOM 0 HA ALA A 30 3.305 8.301 8.044 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.913 10.485 7.042 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.312 9.722 7.835 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.163 9.683 6.062 1.00 1.27 H new ATOM 415 N ASN A 31 3.321 7.978 4.756 1.00 0.73 N ATOM 416 CA ASN A 31 2.458 7.864 3.585 1.00 0.69 C ATOM 417 C ASN A 31 1.303 6.909 3.864 1.00 0.60 C ATOM 418 O ASN A 31 0.201 7.088 3.347 1.00 0.58 O ATOM 419 CB ASN A 31 3.264 7.370 2.387 1.00 0.71 C ATOM 420 CG ASN A 31 3.164 8.365 1.237 1.00 1.24 C ATOM 421 OD1 ASN A 31 2.251 9.190 1.195 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.103 8.288 0.304 1.00 1.42 N ATOM 0 H ASN A 31 4.313 7.836 4.564 1.00 0.73 H new ATOM 0 HA ASN A 31 2.049 8.849 3.359 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.308 7.237 2.672 1.00 0.71 H new ATOM 0 HB3 ASN A 31 2.894 6.396 2.068 1.00 0.71 H new ATOM 0 HD21 ASN A 31 4.087 8.929 -0.489 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.841 7.588 0.380 1.00 1.42 H new ATOM 429 N ILE A 32 1.562 5.896 4.687 1.00 0.58 N ATOM 430 CA ILE A 32 0.539 4.918 5.036 1.00 0.56 C ATOM 431 C ILE A 32 -0.651 5.606 5.688 1.00 0.52 C ATOM 432 O ILE A 32 -1.798 5.205 5.490 1.00 0.51 O ATOM 433 CB ILE A 32 1.110 3.857 5.976 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.994 4.493 7.048 1.00 0.70 C ATOM 435 CG2 ILE A 32 1.893 2.805 5.198 1.00 0.69 C ATOM 436 CD1 ILE A 32 1.700 3.916 8.430 1.00 1.07 C ATOM 0 H ILE A 32 2.470 5.732 5.123 1.00 0.58 H new ATOM 0 HA ILE A 32 0.205 4.430 4.120 1.00 0.56 H new ATOM 0 HB ILE A 32 0.272 3.366 6.471 1.00 0.63 H new ATOM 0 HG12 ILE A 32 3.043 4.330 6.800 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.833 5.571 7.061 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.289 2.061 5.889 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.233 2.318 4.480 1.00 0.69 H new ATOM 0 HG23 ILE A 32 2.717 3.283 4.668 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.347 4.391 9.168 1.00 1.07 H new ATOM 0 HD12 ILE A 32 0.657 4.102 8.688 1.00 1.07 H new ATOM 0 HD13 ILE A 32 1.886 2.842 8.423 1.00 1.07 H new ATOM 448 N ASN A 33 -0.374 6.650 6.458 1.00 0.56 N ATOM 449 CA ASN A 33 -1.422 7.402 7.128 1.00 0.59 C ATOM 450 C ASN A 33 -2.064 8.376 6.151 1.00 0.54 C ATOM 451 O ASN A 33 -3.242 8.712 6.275 1.00 0.55 O ATOM 452 CB ASN A 33 -0.844 8.156 8.321 1.00 0.71 C ATOM 453 CG ASN A 33 -1.753 7.996 9.533 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.126 8.977 10.177 1.00 1.51 O ATOM 455 ND2 ASN A 33 -2.110 6.755 9.844 1.00 1.62 N ATOM 0 H ASN A 33 0.570 6.994 6.633 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.183 6.709 7.488 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.152 7.778 8.552 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.735 9.212 8.075 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.718 6.585 10.645 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.777 5.972 9.281 1.00 1.62 H new ATOM 462 N ARG A 34 -1.282 8.818 5.171 1.00 0.55 N ATOM 463 CA ARG A 34 -1.771 9.744 4.158 1.00 0.56 C ATOM 464 C ARG A 34 -2.772 9.039 3.253 1.00 0.48 C ATOM 465 O ARG A 34 -3.921 9.461 3.137 1.00 0.48 O ATOM 466 CB ARG A 34 -0.607 10.282 3.331 1.00 0.65 C ATOM 467 CG ARG A 34 0.396 11.041 4.198 1.00 0.89 C ATOM 468 CD ARG A 34 0.805 12.364 3.557 1.00 1.22 C ATOM 469 NE ARG A 34 -0.350 13.245 3.426 1.00 1.69 N ATOM 470 CZ ARG A 34 -0.726 13.734 2.248 1.00 2.27 C ATOM 471 NH1 ARG A 34 0.179 13.986 1.313 1.00 2.78 N ATOM 472 NH2 ARG A 34 -2.008 13.966 2.004 1.00 2.90 N ATOM 0 H ARG A 34 -0.305 8.548 5.058 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.265 10.580 4.652 1.00 0.56 H new ATOM 0 HB2 ARG A 34 -0.103 9.455 2.830 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.988 10.942 2.552 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.040 11.231 5.179 1.00 0.89 H new ATOM 0 HG3 ARG A 34 1.281 10.424 4.357 1.00 0.89 H new ATOM 0 HD2 ARG A 34 1.572 12.847 4.163 1.00 1.22 H new ATOM 0 HD3 ARG A 34 1.243 12.180 2.576 1.00 1.22 H new ATOM 0 HE ARG A 34 -0.883 13.492 4.260 1.00 1.69 H new ATOM 0 HH11 ARG A 34 1.166 13.805 1.496 1.00 2.78 H new ATOM 0 HH12 ARG A 34 -0.111 14.361 0.410 1.00 2.78 H new ATOM 0 HH21 ARG A 34 -2.707 13.769 2.720 1.00 2.90 H new ATOM 0 HH22 ARG A 34 -2.295 14.341 1.100 1.00 2.90 H new ATOM 486 N ILE A 35 -2.332 7.952 2.624 1.00 0.45 N ATOM 487 CA ILE A 35 -3.197 7.179 1.741 1.00 0.40 C ATOM 488 C ILE A 35 -4.389 6.646 2.524 1.00 0.34 C ATOM 489 O ILE A 35 -5.541 6.839 2.133 1.00 0.34 O ATOM 490 CB ILE A 35 -2.419 6.018 1.129 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.200 6.531 0.366 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.313 5.188 0.214 1.00 0.40 C ATOM 493 CD1 ILE A 35 -1.591 7.574 -0.678 1.00 1.29 C ATOM 0 H ILE A 35 -1.383 7.588 2.710 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.554 7.826 0.940 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.073 5.377 1.940 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.487 6.966 1.067 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -0.698 5.696 -0.123 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.736 4.366 -0.211 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.148 4.787 0.788 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.694 5.817 -0.590 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -0.699 7.917 -1.202 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -2.284 7.131 -1.393 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -2.070 8.420 -0.185 1.00 1.29 H new ATOM 505 N LYS A 36 -4.100 5.983 3.640 1.00 0.35 N ATOM 506 CA LYS A 36 -5.135 5.420 4.504 1.00 0.36 C ATOM 507 C LYS A 36 -6.252 6.436 4.740 1.00 0.39 C ATOM 508 O LYS A 36 -7.417 6.170 4.452 1.00 0.51 O ATOM 509 CB LYS A 36 -4.509 5.004 5.839 1.00 0.44 C ATOM 510 CG LYS A 36 -5.562 4.649 6.892 1.00 1.09 C ATOM 511 CD LYS A 36 -5.529 5.623 8.067 1.00 1.41 C ATOM 512 CE LYS A 36 -5.735 4.905 9.398 1.00 2.17 C ATOM 513 NZ LYS A 36 -5.947 5.875 10.509 1.00 2.76 N ATOM 0 H LYS A 36 -3.149 5.821 3.970 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.568 4.547 4.017 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.856 4.146 5.679 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -3.884 5.815 6.213 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.552 4.661 6.436 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.389 3.635 7.253 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.573 6.147 8.080 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -6.304 6.378 7.936 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -6.595 4.239 9.325 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -4.867 4.283 9.616 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -6.084 5.357 11.400 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -5.116 6.494 10.593 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -6.790 6.451 10.310 1.00 2.76 H new ATOM 527 N ASP A 37 -5.883 7.596 5.272 1.00 0.40 N ATOM 528 CA ASP A 37 -6.849 8.652 5.560 1.00 0.45 C ATOM 529 C ASP A 37 -7.397 9.259 4.275 1.00 0.44 C ATOM 530 O ASP A 37 -8.529 9.742 4.240 1.00 0.60 O ATOM 531 CB ASP A 37 -6.194 9.741 6.404 1.00 0.51 C ATOM 532 CG ASP A 37 -7.250 10.700 6.939 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.318 10.224 7.378 1.00 1.56 O ATOM 534 OD2 ASP A 37 -7.007 11.925 6.920 1.00 1.37 O ATOM 0 H ASP A 37 -4.920 7.830 5.513 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.678 8.211 6.113 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.649 9.290 7.233 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.467 10.288 5.804 1.00 0.51 H new ATOM 539 N GLN A 38 -6.590 9.236 3.221 1.00 0.41 N ATOM 540 CA GLN A 38 -6.994 9.790 1.934 1.00 0.46 C ATOM 541 C GLN A 38 -8.047 8.915 1.277 1.00 0.42 C ATOM 542 O GLN A 38 -9.202 9.316 1.128 1.00 0.68 O ATOM 543 CB GLN A 38 -5.783 9.907 1.016 1.00 0.54 C ATOM 544 CG GLN A 38 -6.120 10.645 -0.270 1.00 0.65 C ATOM 545 CD GLN A 38 -5.877 12.139 -0.103 1.00 1.05 C ATOM 546 OE1 GLN A 38 -5.172 12.566 0.811 1.00 1.65 O ATOM 547 NE2 GLN A 38 -6.463 12.937 -0.990 1.00 1.66 N ATOM 0 H GLN A 38 -5.650 8.839 3.232 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.419 10.779 2.105 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -4.981 10.431 1.537 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.410 8.911 0.777 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.511 10.260 -1.088 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.162 10.467 -0.537 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -7.039 12.539 -1.732 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -6.336 13.947 -0.929 1.00 1.66 H new ATOM 556 N TYR A 39 -7.639 7.717 0.883 1.00 0.34 N ATOM 557 CA TYR A 39 -8.544 6.777 0.233 1.00 0.34 C ATOM 558 C TYR A 39 -9.288 5.925 1.260 1.00 0.30 C ATOM 559 O TYR A 39 -9.911 4.926 0.902 1.00 0.32 O ATOM 560 CB TYR A 39 -7.762 5.872 -0.719 1.00 0.39 C ATOM 561 CG TYR A 39 -7.003 6.634 -1.779 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.840 7.309 -1.451 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.467 6.663 -3.083 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.145 8.011 -2.422 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.771 7.363 -4.054 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.610 8.025 -3.722 1.00 0.66 C ATOM 567 OH TYR A 39 -4.923 8.730 -4.685 1.00 0.77 O ATOM 0 H TYR A 39 -6.687 7.372 1.002 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.279 7.352 -0.331 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -7.060 5.269 -0.142 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.453 5.181 -1.202 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.473 7.288 -0.435 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.374 6.138 -3.344 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.243 8.545 -2.163 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -7.138 7.390 -5.069 1.00 0.73 H new ATOM 0 HH TYR A 39 -5.380 8.638 -5.547 1.00 0.77 H new ATOM 577 N LYS A 40 -9.225 6.313 2.535 1.00 0.28 N ATOM 578 CA LYS A 40 -9.899 5.563 3.594 1.00 0.31 C ATOM 579 C LYS A 40 -9.537 4.087 3.499 1.00 0.29 C ATOM 580 O LYS A 40 -10.394 3.213 3.635 1.00 0.39 O ATOM 581 CB LYS A 40 -11.409 5.737 3.478 1.00 0.38 C ATOM 582 CG LYS A 40 -12.019 6.212 4.794 1.00 0.86 C ATOM 583 CD LYS A 40 -12.918 7.428 4.590 1.00 1.29 C ATOM 584 CE LYS A 40 -14.348 7.017 4.252 1.00 1.88 C ATOM 585 NZ LYS A 40 -14.729 7.462 2.883 1.00 2.56 N ATOM 0 H LYS A 40 -8.717 7.137 2.857 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.572 5.946 4.560 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.634 6.456 2.691 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.864 4.791 3.185 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -12.596 5.403 5.241 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.223 6.461 5.496 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -12.918 8.038 5.494 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -12.517 8.047 3.788 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -14.444 5.934 4.325 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -15.034 7.448 4.981 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -15.706 7.168 2.682 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -14.660 8.498 2.823 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -14.088 7.031 2.187 1.00 2.56 H new ATOM 599 N VAL A 41 -8.261 3.821 3.243 1.00 0.23 N ATOM 600 CA VAL A 41 -7.769 2.457 3.103 1.00 0.23 C ATOM 601 C VAL A 41 -6.751 2.132 4.188 1.00 0.27 C ATOM 602 O VAL A 41 -6.537 2.920 5.107 1.00 0.33 O ATOM 603 CB VAL A 41 -7.138 2.294 1.726 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.213 2.301 0.648 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.116 3.397 1.468 1.00 0.23 C ATOM 0 H VAL A 41 -7.545 4.538 3.128 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.605 1.766 3.210 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.620 1.335 1.695 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.748 2.184 -0.331 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -8.907 1.478 0.821 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.755 3.246 0.681 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.677 3.262 0.479 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.609 4.368 1.517 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.331 3.350 2.223 1.00 0.23 H new ATOM 615 N SER A 42 -6.125 0.964 4.077 1.00 0.29 N ATOM 616 CA SER A 42 -5.129 0.531 5.048 1.00 0.34 C ATOM 617 C SER A 42 -3.904 -0.026 4.337 1.00 0.30 C ATOM 618 O SER A 42 -3.766 -1.238 4.173 1.00 0.36 O ATOM 619 CB SER A 42 -5.726 -0.529 5.967 1.00 0.43 C ATOM 620 OG SER A 42 -5.604 -0.132 7.325 1.00 0.93 O ATOM 0 H SER A 42 -6.292 0.300 3.321 1.00 0.29 H new ATOM 0 HA SER A 42 -4.825 1.391 5.645 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.776 -0.684 5.720 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.218 -1.481 5.813 1.00 0.43 H new ATOM 0 HG SER A 42 -5.993 -0.821 7.903 1.00 0.93 H new ATOM 626 N VAL A 43 -3.018 0.868 3.912 1.00 0.33 N ATOM 627 CA VAL A 43 -1.802 0.470 3.215 1.00 0.34 C ATOM 628 C VAL A 43 -0.691 0.176 4.218 1.00 0.35 C ATOM 629 O VAL A 43 -0.384 1.000 5.079 1.00 0.55 O ATOM 630 CB VAL A 43 -1.369 1.574 2.249 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.302 2.921 2.963 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.027 1.241 1.598 1.00 0.54 C ATOM 0 H VAL A 43 -3.120 1.875 4.039 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.002 -0.437 2.645 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.118 1.641 1.460 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.992 3.692 2.257 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -2.285 3.170 3.364 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.581 2.865 3.779 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.256 2.043 0.916 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.735 1.135 2.370 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.114 0.307 1.043 1.00 0.54 H new ATOM 642 N ARG A 44 -0.095 -1.005 4.100 1.00 0.31 N ATOM 643 CA ARG A 44 0.978 -1.416 4.996 1.00 0.42 C ATOM 644 C ARG A 44 2.251 -1.715 4.212 1.00 0.40 C ATOM 645 O ARG A 44 2.220 -2.422 3.205 1.00 0.41 O ATOM 646 CB ARG A 44 0.553 -2.652 5.781 1.00 0.52 C ATOM 647 CG ARG A 44 -0.505 -2.320 6.831 1.00 0.78 C ATOM 648 CD ARG A 44 -1.729 -3.223 6.701 1.00 1.05 C ATOM 649 NE ARG A 44 -1.798 -4.156 7.820 1.00 1.31 N ATOM 650 CZ ARG A 44 -2.928 -4.364 8.487 1.00 1.74 C ATOM 651 NH1 ARG A 44 -3.572 -3.343 9.039 1.00 2.27 N ATOM 652 NH2 ARG A 44 -3.415 -5.591 8.603 1.00 2.28 N ATOM 0 H ARG A 44 -0.338 -1.696 3.390 1.00 0.31 H new ATOM 0 HA ARG A 44 1.181 -0.599 5.688 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.161 -3.402 5.094 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.424 -3.091 6.268 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -0.076 -2.429 7.827 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -0.808 -1.278 6.726 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.634 -2.616 6.670 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.683 -3.775 5.762 1.00 1.05 H new ATOM 0 HE ARG A 44 -0.957 -4.662 8.098 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -3.199 -2.398 8.951 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -4.439 -3.504 9.551 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -2.922 -6.377 8.180 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -4.283 -5.749 9.115 1.00 2.28 H new ATOM 666 N ILE A 45 3.368 -1.178 4.689 1.00 0.46 N ATOM 667 CA ILE A 45 4.662 -1.388 4.048 1.00 0.47 C ATOM 668 C ILE A 45 5.489 -2.375 4.877 1.00 0.53 C ATOM 669 O ILE A 45 6.181 -1.984 5.816 1.00 0.64 O ATOM 670 CB ILE A 45 5.383 -0.035 3.894 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.815 0.729 2.697 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.901 -0.189 3.752 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.266 0.121 1.367 1.00 0.56 C ATOM 0 H ILE A 45 3.404 -0.591 5.522 1.00 0.46 H new ATOM 0 HA ILE A 45 4.525 -1.814 3.054 1.00 0.47 H new ATOM 0 HB ILE A 45 5.204 0.530 4.809 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.726 0.725 2.747 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.133 1.770 2.747 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.358 0.795 3.647 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.301 -0.682 4.638 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.125 -0.789 2.870 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.841 0.693 0.543 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.354 0.149 1.305 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.925 -0.913 1.305 1.00 0.56 H new ATOM 685 N PRO A 46 5.422 -3.675 4.535 1.00 0.48 N ATOM 686 CA PRO A 46 6.167 -4.716 5.255 1.00 0.58 C ATOM 687 C PRO A 46 7.664 -4.665 4.951 1.00 0.61 C ATOM 688 O PRO A 46 8.088 -4.972 3.837 1.00 0.56 O ATOM 689 CB PRO A 46 5.542 -6.016 4.753 1.00 0.57 C ATOM 690 CG PRO A 46 4.975 -5.689 3.413 1.00 0.47 C ATOM 691 CD PRO A 46 4.621 -4.225 3.427 1.00 0.41 C ATOM 0 HA PRO A 46 6.100 -4.600 6.337 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.287 -6.809 4.682 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.766 -6.368 5.433 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.698 -5.903 2.626 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.093 -6.297 3.209 1.00 0.47 H new ATOM 0 HD2 PRO A 46 4.868 -3.746 2.480 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.554 -4.074 3.592 1.00 0.41 H new ATOM 699 N PRO A 47 8.487 -4.274 5.942 1.00 0.74 N ATOM 700 CA PRO A 47 9.942 -4.185 5.765 1.00 0.81 C ATOM 701 C PRO A 47 10.603 -5.558 5.715 1.00 0.87 C ATOM 702 O PRO A 47 11.640 -5.734 5.074 1.00 1.53 O ATOM 703 CB PRO A 47 10.405 -3.392 6.984 1.00 0.98 C ATOM 704 CG PRO A 47 9.361 -3.621 8.025 1.00 1.03 C ATOM 705 CD PRO A 47 8.066 -3.890 7.301 1.00 0.85 C ATOM 0 HA PRO A 47 10.213 -3.714 4.820 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.382 -3.732 7.326 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.501 -2.332 6.750 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.629 -4.465 8.661 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.266 -2.750 8.674 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.498 -4.686 7.782 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.427 -3.007 7.286 1.00 0.85 H new ATOM 713 N ASP A 48 10.000 -6.528 6.394 1.00 1.32 N ATOM 714 CA ASP A 48 10.532 -7.885 6.427 1.00 1.46 C ATOM 715 C ASP A 48 10.234 -8.609 5.120 1.00 1.48 C ATOM 716 O ASP A 48 9.339 -9.452 5.056 1.00 2.18 O ATOM 717 CB ASP A 48 9.925 -8.658 7.594 1.00 2.16 C ATOM 718 CG ASP A 48 8.961 -9.721 7.083 1.00 2.56 C ATOM 719 OD1 ASP A 48 9.394 -10.587 6.294 1.00 3.01 O ATOM 720 OD2 ASP A 48 7.775 -9.687 7.473 1.00 3.03 O ATOM 0 H ASP A 48 9.141 -6.399 6.929 1.00 1.32 H new ATOM 0 HA ASP A 48 11.613 -7.827 6.557 1.00 1.46 H new ATOM 0 HB2 ASP A 48 10.716 -9.127 8.179 1.00 2.16 H new ATOM 0 HB3 ASP A 48 9.401 -7.972 8.259 1.00 2.16 H new ATOM 725 N SER A 49 10.990 -8.277 4.080 1.00 1.59 N ATOM 726 CA SER A 49 10.810 -8.896 2.772 1.00 2.11 C ATOM 727 C SER A 49 11.839 -8.361 1.785 1.00 1.90 C ATOM 728 O SER A 49 11.722 -7.237 1.300 1.00 2.33 O ATOM 729 CB SER A 49 9.402 -8.622 2.253 1.00 3.03 C ATOM 730 OG SER A 49 8.544 -9.716 2.541 1.00 3.81 O ATOM 0 H SER A 49 11.735 -7.581 4.117 1.00 1.59 H new ATOM 0 HA SER A 49 10.950 -9.972 2.875 1.00 2.11 H new ATOM 0 HB2 SER A 49 9.010 -7.714 2.711 1.00 3.03 H new ATOM 0 HB3 SER A 49 9.432 -8.449 1.177 1.00 3.03 H new ATOM 0 HG SER A 49 8.636 -9.965 3.484 1.00 3.81 H new ATOM 736 N GLU A 50 12.850 -9.173 1.494 1.00 1.92 N ATOM 737 CA GLU A 50 13.904 -8.782 0.567 1.00 2.27 C ATOM 738 C GLU A 50 13.494 -9.083 -0.869 1.00 2.09 C ATOM 739 O GLU A 50 13.529 -8.205 -1.731 1.00 2.74 O ATOM 740 CB GLU A 50 15.194 -9.522 0.907 1.00 3.06 C ATOM 741 CG GLU A 50 15.969 -8.814 2.015 1.00 3.83 C ATOM 742 CD GLU A 50 15.080 -8.602 3.233 1.00 4.43 C ATOM 743 OE1 GLU A 50 14.268 -9.499 3.541 1.00 4.75 O ATOM 744 OE2 GLU A 50 15.196 -7.537 3.877 1.00 4.97 O ATOM 0 H GLU A 50 12.961 -10.107 1.888 1.00 1.92 H new ATOM 0 HA GLU A 50 14.070 -7.709 0.661 1.00 2.27 H new ATOM 0 HB2 GLU A 50 14.960 -10.540 1.219 1.00 3.06 H new ATOM 0 HB3 GLU A 50 15.817 -9.597 0.016 1.00 3.06 H new ATOM 0 HG2 GLU A 50 16.842 -9.406 2.292 1.00 3.83 H new ATOM 0 HG3 GLU A 50 16.337 -7.854 1.654 1.00 3.83 H new ATOM 751 N LYS A 51 13.101 -10.328 -1.121 1.00 1.76 N ATOM 752 CA LYS A 51 12.681 -10.743 -2.455 1.00 1.77 C ATOM 753 C LYS A 51 11.164 -10.686 -2.576 1.00 1.55 C ATOM 754 O LYS A 51 10.444 -11.126 -1.680 1.00 2.20 O ATOM 755 CB LYS A 51 13.172 -12.159 -2.740 1.00 2.14 C ATOM 756 CG LYS A 51 14.043 -12.209 -3.992 1.00 2.60 C ATOM 757 CD LYS A 51 15.489 -12.561 -3.656 1.00 3.36 C ATOM 758 CE LYS A 51 16.288 -11.324 -3.259 1.00 4.12 C ATOM 759 NZ LYS A 51 17.026 -10.758 -4.424 1.00 4.81 N ATOM 0 H LYS A 51 13.065 -11.067 -0.419 1.00 1.76 H new ATOM 0 HA LYS A 51 13.116 -10.060 -3.185 1.00 1.77 H new ATOM 0 HB2 LYS A 51 13.740 -12.527 -1.886 1.00 2.14 H new ATOM 0 HB3 LYS A 51 12.317 -12.823 -2.864 1.00 2.14 H new ATOM 0 HG2 LYS A 51 13.640 -12.946 -4.687 1.00 2.60 H new ATOM 0 HG3 LYS A 51 14.011 -11.244 -4.497 1.00 2.60 H new ATOM 0 HD2 LYS A 51 15.508 -13.285 -2.841 1.00 3.36 H new ATOM 0 HD3 LYS A 51 15.958 -13.037 -4.517 1.00 3.36 H new ATOM 0 HE2 LYS A 51 15.615 -10.570 -2.851 1.00 4.12 H new ATOM 0 HE3 LYS A 51 16.994 -11.582 -2.470 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 17.560 -9.918 -4.122 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 17.685 -11.471 -4.797 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 16.349 -10.490 -5.167 1.00 4.81 H new ATOM 773 N SER A 52 10.682 -10.139 -3.688 1.00 1.19 N ATOM 774 CA SER A 52 9.249 -10.022 -3.923 1.00 1.04 C ATOM 775 C SER A 52 8.582 -9.264 -2.783 1.00 0.92 C ATOM 776 O SER A 52 7.982 -9.864 -1.892 1.00 1.19 O ATOM 777 CB SER A 52 8.629 -11.411 -4.055 1.00 1.25 C ATOM 778 OG SER A 52 7.245 -11.370 -3.746 1.00 2.03 O ATOM 0 H SER A 52 11.264 -9.770 -4.440 1.00 1.19 H new ATOM 0 HA SER A 52 9.092 -9.469 -4.849 1.00 1.04 H new ATOM 0 HB2 SER A 52 8.770 -11.783 -5.070 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.136 -12.107 -3.387 1.00 1.25 H new ATOM 0 HG SER A 52 7.128 -11.161 -2.796 1.00 2.03 H new ATOM 784 N ASN A 53 8.694 -7.940 -2.816 1.00 0.68 N ATOM 785 CA ASN A 53 8.103 -7.095 -1.783 1.00 0.61 C ATOM 786 C ASN A 53 6.690 -6.681 -2.174 1.00 0.59 C ATOM 787 O ASN A 53 6.478 -5.594 -2.710 1.00 0.99 O ATOM 788 CB ASN A 53 8.964 -5.852 -1.568 1.00 0.60 C ATOM 789 CG ASN A 53 9.258 -5.662 -0.086 1.00 0.89 C ATOM 790 OD1 ASN A 53 8.485 -6.088 0.771 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.380 -5.020 0.217 1.00 1.28 N ATOM 0 H ASN A 53 9.189 -7.428 -3.547 1.00 0.68 H new ATOM 0 HA ASN A 53 8.057 -7.666 -0.855 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.898 -5.948 -2.121 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.451 -4.974 -1.959 1.00 0.60 H new ATOM 0 HD21 ASN A 53 10.630 -4.863 1.193 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.992 -4.684 -0.527 1.00 1.28 H new ATOM 798 N LEU A 54 5.727 -7.554 -1.902 1.00 0.55 N ATOM 799 CA LEU A 54 4.332 -7.279 -2.225 1.00 0.51 C ATOM 800 C LEU A 54 3.667 -6.494 -1.104 1.00 0.44 C ATOM 801 O LEU A 54 3.189 -7.072 -0.128 1.00 0.57 O ATOM 802 CB LEU A 54 3.580 -8.588 -2.452 1.00 0.65 C ATOM 803 CG LEU A 54 3.746 -9.091 -3.882 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.119 -9.729 -4.072 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.638 -10.078 -4.238 1.00 1.49 C ATOM 0 H LEU A 54 5.887 -8.459 -1.458 1.00 0.55 H new ATOM 0 HA LEU A 54 4.302 -6.682 -3.137 1.00 0.51 H new ATOM 0 HB2 LEU A 54 3.945 -9.343 -1.756 1.00 0.65 H new ATOM 0 HB3 LEU A 54 2.521 -8.442 -2.238 1.00 0.65 H new ATOM 0 HG LEU A 54 3.671 -8.237 -4.556 1.00 0.82 H new ATOM 0 HD11 LEU A 54 5.218 -10.081 -5.099 1.00 1.49 H new ATOM 0 HD12 LEU A 54 5.895 -8.992 -3.865 1.00 1.49 H new ATOM 0 HD13 LEU A 54 5.227 -10.570 -3.388 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.775 -10.425 -5.262 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.677 -10.929 -3.558 1.00 1.49 H new ATOM 0 HD23 LEU A 54 1.670 -9.586 -4.148 1.00 1.49 H new ATOM 817 N ILE A 55 3.635 -5.174 -1.247 1.00 0.31 N ATOM 818 CA ILE A 55 3.022 -4.315 -0.242 1.00 0.26 C ATOM 819 C ILE A 55 1.583 -4.746 0.011 1.00 0.27 C ATOM 820 O ILE A 55 0.891 -5.197 -0.901 1.00 0.34 O ATOM 821 CB ILE A 55 3.063 -2.860 -0.700 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.506 -2.413 -0.923 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.370 -1.951 0.310 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.575 -1.014 -1.527 1.00 0.35 C ATOM 0 H ILE A 55 4.026 -4.677 -2.047 1.00 0.31 H new ATOM 0 HA ILE A 55 3.583 -4.407 0.688 1.00 0.26 H new ATOM 0 HB ILE A 55 2.526 -2.785 -1.645 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.042 -2.427 0.026 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.008 -3.120 -1.583 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.413 -0.919 -0.040 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.329 -2.255 0.418 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.873 -2.029 1.274 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.618 -0.731 -1.671 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.061 -1.007 -2.488 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.096 -0.303 -0.854 1.00 0.35 H new ATOM 836 N ARG A 56 1.141 -4.611 1.256 1.00 0.29 N ATOM 837 CA ARG A 56 -0.215 -4.995 1.632 1.00 0.32 C ATOM 838 C ARG A 56 -1.157 -3.802 1.542 1.00 0.29 C ATOM 839 O ARG A 56 -0.866 -2.728 2.069 1.00 0.42 O ATOM 840 CB ARG A 56 -0.223 -5.555 3.051 1.00 0.42 C ATOM 841 CG ARG A 56 0.314 -6.982 3.092 1.00 0.55 C ATOM 842 CD ARG A 56 1.574 -7.084 3.949 1.00 0.84 C ATOM 843 NE ARG A 56 1.299 -7.827 5.174 1.00 1.44 N ATOM 844 CZ ARG A 56 1.831 -7.471 6.339 1.00 1.77 C ATOM 845 NH1 ARG A 56 1.663 -6.240 6.800 1.00 2.19 N ATOM 846 NH2 ARG A 56 2.532 -8.348 7.044 1.00 2.33 N ATOM 0 H ARG A 56 1.702 -4.239 2.022 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.560 -5.763 0.939 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.382 -4.919 3.698 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.239 -5.536 3.445 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.452 -7.648 3.489 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.534 -7.318 2.079 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.365 -7.579 3.386 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.935 -6.086 4.195 1.00 0.84 H new ATOM 0 HE ARG A 56 0.684 -8.639 5.136 1.00 1.44 H new ATOM 0 HH11 ARG A 56 1.124 -5.563 6.261 1.00 2.19 H new ATOM 0 HH12 ARG A 56 2.073 -5.970 7.694 1.00 2.19 H new ATOM 0 HH21 ARG A 56 2.663 -9.296 6.693 1.00 2.33 H new ATOM 0 HH22 ARG A 56 2.940 -8.074 7.938 1.00 2.33 H new ATOM 860 N ILE A 57 -2.289 -4.000 0.875 1.00 0.24 N ATOM 861 CA ILE A 57 -3.281 -2.942 0.715 1.00 0.24 C ATOM 862 C ILE A 57 -4.684 -3.488 0.941 1.00 0.26 C ATOM 863 O ILE A 57 -5.154 -4.348 0.196 1.00 0.40 O ATOM 864 CB ILE A 57 -3.184 -2.340 -0.682 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.751 -1.906 -0.984 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.146 -1.165 -0.834 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.345 -0.681 -0.167 1.00 1.32 C ATOM 0 H ILE A 57 -2.543 -4.885 0.436 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.081 -2.167 1.455 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.468 -3.107 -1.403 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.069 -2.729 -0.769 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.655 -1.682 -2.046 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.059 -0.751 -1.839 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.168 -1.508 -0.670 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.899 -0.396 -0.102 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.319 -0.404 -0.411 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -2.010 0.150 -0.402 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.415 -0.913 0.896 1.00 1.32 H new ATOM 879 N GLU A 58 -5.356 -2.980 1.971 1.00 0.23 N ATOM 880 CA GLU A 58 -6.711 -3.414 2.288 1.00 0.25 C ATOM 881 C GLU A 58 -7.571 -2.219 2.661 1.00 0.24 C ATOM 882 O GLU A 58 -7.195 -1.411 3.507 1.00 0.26 O ATOM 883 CB GLU A 58 -6.689 -4.422 3.432 1.00 0.32 C ATOM 884 CG GLU A 58 -8.099 -4.833 3.849 1.00 0.37 C ATOM 885 CD GLU A 58 -8.447 -4.232 5.204 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.760 -4.559 6.195 1.00 1.56 O ATOM 887 OE2 GLU A 58 -9.407 -3.436 5.274 1.00 1.47 O ATOM 0 H GLU A 58 -4.983 -2.268 2.599 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.138 -3.893 1.407 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.127 -5.305 3.128 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.168 -3.991 4.287 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.818 -4.500 3.101 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.169 -5.920 3.897 1.00 0.37 H new ATOM 894 N GLY A 59 -8.724 -2.109 2.016 1.00 0.25 N ATOM 895 CA GLY A 59 -9.637 -1.004 2.269 1.00 0.27 C ATOM 896 C GLY A 59 -11.064 -1.363 1.882 1.00 0.39 C ATOM 897 O GLY A 59 -11.533 -2.469 2.150 1.00 0.59 O ATOM 0 H GLY A 59 -9.049 -2.772 1.313 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.601 -0.735 3.325 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.315 -0.128 1.706 1.00 0.27 H new ATOM 901 N ASP A 60 -11.746 -0.418 1.247 1.00 0.53 N ATOM 902 CA ASP A 60 -13.109 -0.605 0.811 1.00 0.70 C ATOM 903 C ASP A 60 -13.078 -1.181 -0.617 1.00 0.59 C ATOM 904 O ASP A 60 -12.051 -1.718 -1.028 1.00 1.04 O ATOM 905 CB ASP A 60 -13.839 0.747 0.905 1.00 1.22 C ATOM 906 CG ASP A 60 -14.853 0.923 -0.224 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.857 0.179 -0.244 1.00 2.31 O ATOM 908 OD2 ASP A 60 -14.640 1.801 -1.086 1.00 2.66 O ATOM 0 H ASP A 60 -11.361 0.500 1.023 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.654 -1.310 1.438 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -14.349 0.819 1.866 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -13.110 1.557 0.869 1.00 1.22 H new ATOM 913 N PRO A 61 -14.171 -1.107 -1.405 1.00 0.72 N ATOM 914 CA PRO A 61 -14.177 -1.655 -2.768 1.00 1.14 C ATOM 915 C PRO A 61 -13.454 -0.758 -3.770 1.00 0.88 C ATOM 916 O PRO A 61 -12.603 -1.224 -4.528 1.00 1.22 O ATOM 917 CB PRO A 61 -15.659 -1.766 -3.105 1.00 1.82 C ATOM 918 CG PRO A 61 -16.338 -0.748 -2.250 1.00 1.82 C ATOM 919 CD PRO A 61 -15.459 -0.506 -1.051 1.00 1.17 C ATOM 0 HA PRO A 61 -13.647 -2.606 -2.822 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.837 -1.572 -4.163 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.035 -2.768 -2.897 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -16.493 0.177 -2.805 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -17.321 -1.102 -1.940 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -15.355 0.559 -0.845 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -15.877 -0.965 -0.155 1.00 1.17 H new ATOM 927 N GLN A 62 -13.807 0.523 -3.780 1.00 0.64 N ATOM 928 CA GLN A 62 -13.202 1.478 -4.705 1.00 0.47 C ATOM 929 C GLN A 62 -12.040 2.224 -4.059 1.00 0.41 C ATOM 930 O GLN A 62 -11.117 2.661 -4.743 1.00 0.47 O ATOM 931 CB GLN A 62 -14.253 2.479 -5.174 1.00 0.69 C ATOM 932 CG GLN A 62 -15.113 1.911 -6.299 1.00 0.85 C ATOM 933 CD GLN A 62 -16.290 2.834 -6.584 1.00 1.34 C ATOM 934 OE1 GLN A 62 -16.401 3.912 -6.001 1.00 2.14 O ATOM 935 NE2 GLN A 62 -17.171 2.410 -7.482 1.00 1.73 N ATOM 0 H GLN A 62 -14.509 0.925 -3.159 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.814 0.919 -5.557 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.890 2.758 -4.335 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.761 3.389 -5.517 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.511 1.790 -7.200 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.477 0.921 -6.023 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -17.038 1.509 -7.941 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -17.981 2.986 -7.713 1.00 1.73 H new ATOM 944 N GLY A 63 -12.095 2.381 -2.743 1.00 0.37 N ATOM 945 CA GLY A 63 -11.051 3.093 -2.012 1.00 0.34 C ATOM 946 C GLY A 63 -9.724 2.345 -2.034 1.00 0.27 C ATOM 947 O GLY A 63 -8.671 2.942 -2.260 1.00 0.29 O ATOM 0 H GLY A 63 -12.851 2.025 -2.158 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.916 4.083 -2.447 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -11.367 3.239 -0.979 1.00 0.34 H new ATOM 951 N VAL A 64 -9.771 1.044 -1.776 1.00 0.24 N ATOM 952 CA VAL A 64 -8.563 0.226 -1.742 1.00 0.21 C ATOM 953 C VAL A 64 -8.008 -0.029 -3.144 1.00 0.24 C ATOM 954 O VAL A 64 -6.793 -0.021 -3.345 1.00 0.28 O ATOM 955 CB VAL A 64 -8.855 -1.094 -1.017 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.567 -2.099 -1.925 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.568 -1.690 -0.457 1.00 0.26 C ATOM 0 H VAL A 64 -10.632 0.532 -1.587 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.795 0.773 -1.194 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.529 -0.872 -0.189 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -9.755 -3.019 -1.372 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.515 -1.678 -2.261 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -8.940 -2.316 -2.789 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -7.793 -2.626 0.054 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -6.870 -1.880 -1.272 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.120 -0.990 0.248 1.00 0.26 H new ATOM 967 N GLN A 65 -8.892 -0.264 -4.108 1.00 0.25 N ATOM 968 CA GLN A 65 -8.464 -0.530 -5.477 1.00 0.30 C ATOM 969 C GLN A 65 -7.873 0.724 -6.113 1.00 0.30 C ATOM 970 O GLN A 65 -6.969 0.639 -6.945 1.00 0.34 O ATOM 971 CB GLN A 65 -9.638 -1.044 -6.307 1.00 0.37 C ATOM 972 CG GLN A 65 -10.668 0.049 -6.579 1.00 0.42 C ATOM 973 CD GLN A 65 -10.586 0.501 -8.029 1.00 0.78 C ATOM 974 OE1 GLN A 65 -9.585 1.073 -8.459 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.645 0.241 -8.789 1.00 0.82 N ATOM 0 H GLN A 65 -9.902 -0.276 -3.969 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.690 -1.297 -5.452 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.268 -1.437 -7.254 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.117 -1.872 -5.784 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.669 -0.323 -6.363 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.493 0.896 -5.916 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.454 -0.236 -8.391 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -11.649 0.518 -9.771 1.00 0.82 H new ATOM 984 N GLN A 66 -8.382 1.886 -5.715 1.00 0.29 N ATOM 985 CA GLN A 66 -7.892 3.152 -6.250 1.00 0.31 C ATOM 986 C GLN A 66 -6.503 3.456 -5.706 1.00 0.29 C ATOM 987 O GLN A 66 -5.589 3.783 -6.461 1.00 0.36 O ATOM 988 CB GLN A 66 -8.848 4.284 -5.894 1.00 0.35 C ATOM 989 CG GLN A 66 -8.642 5.490 -6.806 1.00 0.79 C ATOM 990 CD GLN A 66 -9.426 5.315 -8.100 1.00 1.10 C ATOM 991 OE1 GLN A 66 -8.844 5.189 -9.178 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.749 5.305 -7.995 1.00 1.31 N ATOM 0 H GLN A 66 -9.130 1.977 -5.027 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.834 3.067 -7.335 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.877 3.934 -5.977 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.695 4.580 -4.856 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -8.965 6.398 -6.297 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -7.582 5.609 -7.029 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.189 5.413 -7.081 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.326 5.190 -8.828 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.349 3.341 -4.391 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.068 3.600 -3.746 1.00 0.27 C ATOM 1003 C ALA A 67 -4.054 2.531 -4.133 1.00 0.26 C ATOM 1004 O ALA A 67 -2.848 2.776 -4.131 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.243 3.627 -2.229 1.00 0.29 C ATOM 0 H ALA A 67 -7.096 3.070 -3.751 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.699 4.570 -4.080 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.281 3.821 -1.755 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.946 4.414 -1.958 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.627 2.665 -1.890 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.552 1.344 -4.466 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.692 0.234 -4.858 1.00 0.28 C ATOM 1013 C LYS A 68 -2.982 0.548 -6.169 1.00 0.31 C ATOM 1014 O LYS A 68 -1.752 0.561 -6.232 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.523 -1.038 -5.010 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.681 -2.210 -5.507 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.276 -2.834 -6.765 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.199 -3.441 -7.658 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.799 -4.196 -8.794 1.00 0.88 N ATOM 0 H LYS A 68 -5.549 1.127 -4.472 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.942 0.083 -4.082 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.973 -1.295 -4.051 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.341 -0.857 -5.707 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.667 -1.868 -5.714 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.609 -2.965 -4.724 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -4.993 -3.605 -6.484 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.826 -2.075 -7.322 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.555 -2.650 -8.044 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -2.568 -4.107 -7.069 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.041 -4.597 -9.383 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.394 -4.965 -8.424 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.381 -3.554 -9.369 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.762 0.799 -7.214 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.212 1.111 -8.523 1.00 0.43 C ATOM 1035 C ARG A 69 -2.452 2.433 -8.486 1.00 0.42 C ATOM 1036 O ARG A 69 -1.426 2.588 -9.149 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.339 1.187 -9.546 1.00 0.50 C ATOM 1038 CG ARG A 69 -3.822 1.591 -10.922 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.963 1.898 -11.887 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.649 1.402 -13.222 1.00 1.81 N ATOM 1041 CZ ARG A 69 -5.375 1.743 -14.282 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -6.629 2.147 -14.129 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -4.847 1.678 -15.497 1.00 2.98 N ATOM 0 H ARG A 69 -4.781 0.792 -7.177 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.516 0.322 -8.808 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -4.836 0.219 -9.613 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -5.086 1.907 -9.212 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.181 2.467 -10.827 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.207 0.789 -11.329 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.884 1.438 -11.529 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.137 2.973 -11.924 1.00 1.36 H new ATOM 0 HE ARG A 69 -3.852 0.778 -13.345 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -7.039 2.197 -13.196 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -7.184 2.408 -14.944 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -3.883 1.366 -15.618 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -5.405 1.940 -16.310 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.962 3.382 -7.709 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.333 4.694 -7.588 1.00 0.43 C ATOM 1059 C GLU A 70 -0.889 4.561 -7.120 1.00 0.44 C ATOM 1060 O GLU A 70 -0.003 5.263 -7.607 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.116 5.562 -6.607 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.785 7.042 -6.779 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.434 7.583 -8.046 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -4.264 6.867 -8.643 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -3.111 8.724 -8.439 1.00 1.50 O ATOM 0 H GLU A 70 -3.809 3.268 -7.153 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.337 5.167 -8.570 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.185 5.408 -6.756 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.889 5.254 -5.586 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -3.137 7.604 -5.913 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.705 7.177 -6.829 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.658 3.661 -6.169 1.00 0.40 N ATOM 1073 CA LEU A 71 0.681 3.443 -5.631 1.00 0.47 C ATOM 1074 C LEU A 71 1.532 2.640 -6.606 1.00 0.52 C ATOM 1075 O LEU A 71 2.684 2.985 -6.868 1.00 0.60 O ATOM 1076 CB LEU A 71 0.593 2.713 -4.294 1.00 0.51 C ATOM 1077 CG LEU A 71 -0.124 3.555 -3.242 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.615 2.678 -2.095 1.00 1.08 C ATOM 1079 CD2 LEU A 71 0.790 4.662 -2.723 1.00 1.15 C ATOM 0 H LEU A 71 -1.380 3.071 -5.755 1.00 0.40 H new ATOM 0 HA LEU A 71 1.153 4.414 -5.481 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.064 1.769 -4.428 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.596 2.470 -3.945 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.991 4.021 -3.710 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.123 3.297 -1.356 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.308 1.930 -2.480 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.235 2.180 -1.629 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.260 5.250 -1.974 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.679 4.219 -2.274 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.085 5.308 -3.550 1.00 1.15 H new ATOM 1091 N LEU A 72 0.964 1.565 -7.141 1.00 0.52 N ATOM 1092 CA LEU A 72 1.677 0.714 -8.085 1.00 0.63 C ATOM 1093 C LEU A 72 2.152 1.520 -9.289 1.00 0.67 C ATOM 1094 O LEU A 72 3.117 1.145 -9.954 1.00 0.83 O ATOM 1095 CB LEU A 72 0.772 -0.423 -8.548 1.00 0.66 C ATOM 1096 CG LEU A 72 1.538 -1.738 -8.656 1.00 0.88 C ATOM 1097 CD1 LEU A 72 0.575 -2.908 -8.841 1.00 1.04 C ATOM 1098 CD2 LEU A 72 2.546 -1.681 -9.800 1.00 1.99 C ATOM 0 H LEU A 72 0.012 1.263 -6.937 1.00 0.52 H new ATOM 0 HA LEU A 72 2.550 0.299 -7.581 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.055 -0.539 -7.848 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.338 -0.173 -9.516 1.00 0.66 H new ATOM 0 HG LEU A 72 2.086 -1.892 -7.727 1.00 0.88 H new ATOM 0 HD11 LEU A 72 1.141 -3.837 -8.916 1.00 1.04 H new ATOM 0 HD12 LEU A 72 -0.100 -2.962 -7.987 1.00 1.04 H new ATOM 0 HD13 LEU A 72 -0.004 -2.762 -9.753 1.00 1.04 H new ATOM 0 HD21 LEU A 72 3.082 -2.628 -9.860 1.00 1.99 H new ATOM 0 HD22 LEU A 72 2.022 -1.500 -10.738 1.00 1.99 H new ATOM 0 HD23 LEU A 72 3.256 -0.874 -9.620 1.00 1.99 H new ATOM 1110 N GLU A 73 1.468 2.625 -9.568 1.00 0.64 N ATOM 1111 CA GLU A 73 1.823 3.479 -10.697 1.00 0.74 C ATOM 1112 C GLU A 73 2.637 4.679 -10.230 1.00 0.71 C ATOM 1113 O GLU A 73 3.851 4.731 -10.426 1.00 0.88 O ATOM 1114 CB GLU A 73 0.559 3.952 -11.409 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.017 2.863 -12.311 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.122 3.365 -13.746 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -1.116 4.052 -14.066 1.00 2.01 O ATOM 1118 OE2 GLU A 73 0.789 3.070 -14.548 1.00 2.05 O ATOM 0 H GLU A 73 0.666 2.950 -9.029 1.00 0.64 H new ATOM 0 HA GLU A 73 2.431 2.899 -11.391 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.187 4.246 -10.671 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.785 4.837 -12.004 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.617 1.977 -12.274 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.001 2.565 -11.950 1.00 1.00 H new ATOM 1125 N LEU A 74 1.963 5.644 -9.613 1.00 0.64 N ATOM 1126 CA LEU A 74 2.625 6.847 -9.120 1.00 0.71 C ATOM 1127 C LEU A 74 3.517 6.516 -7.932 1.00 0.82 C ATOM 1128 O LEU A 74 4.626 7.038 -7.810 1.00 1.13 O ATOM 1129 CB LEU A 74 1.587 7.890 -8.714 1.00 0.85 C ATOM 1130 CG LEU A 74 0.513 8.064 -9.784 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.461 9.174 -9.397 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.144 8.350 -11.143 1.00 1.32 C ATOM 0 H LEU A 74 0.958 5.617 -9.442 1.00 0.64 H new ATOM 0 HA LEU A 74 3.244 7.252 -9.921 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.120 7.593 -7.775 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.081 8.845 -8.536 1.00 0.85 H new ATOM 0 HG LEU A 74 -0.046 7.131 -9.858 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.218 9.281 -10.174 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.943 8.922 -8.453 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.082 10.113 -9.288 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.360 8.470 -11.890 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.734 9.265 -11.085 1.00 1.32 H new ATOM 0 HD23 LEU A 74 1.790 7.519 -11.426 1.00 1.32 H new ATOM 1144 N ALA A 75 3.028 5.643 -7.058 1.00 0.78 N ATOM 1145 CA ALA A 75 3.782 5.240 -5.877 1.00 0.99 C ATOM 1146 C ALA A 75 4.025 6.434 -4.965 1.00 1.70 C ATOM 1147 O ALA A 75 5.064 6.528 -4.312 1.00 2.16 O ATOM 1148 CB ALA A 75 5.114 4.628 -6.297 1.00 1.14 C ATOM 0 H ALA A 75 2.113 5.201 -7.145 1.00 0.78 H new ATOM 0 HA ALA A 75 3.201 4.498 -5.330 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.673 4.329 -5.410 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.932 3.754 -6.923 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.691 5.363 -6.859 1.00 1.14 H new ATOM 1154 N SER A 76 3.059 7.346 -4.923 1.00 2.17 N ATOM 1155 CA SER A 76 3.168 8.538 -4.090 1.00 3.01 C ATOM 1156 C SER A 76 2.210 8.454 -2.909 1.00 3.57 C ATOM 1157 O SER A 76 1.116 9.052 -2.986 1.00 4.23 O ATOM 1158 CB SER A 76 2.865 9.781 -4.919 1.00 3.63 C ATOM 1159 OG SER A 76 1.493 9.805 -5.287 1.00 4.36 O ATOM 1160 OXT SER A 76 2.555 7.791 -1.908 1.00 3.89 O ATOM 0 H SER A 76 2.192 7.282 -5.456 1.00 2.17 H new ATOM 0 HA SER A 76 4.186 8.603 -3.707 1.00 3.01 H new ATOM 0 HB2 SER A 76 3.111 10.676 -4.348 1.00 3.63 H new ATOM 0 HB3 SER A 76 3.489 9.791 -5.813 1.00 3.63 H new ATOM 0 HG SER A 76 0.937 9.746 -4.482 1.00 4.36 H new TER 1166 SER A 76