USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= -0.293 K(o=-0.089,f=-2.7!) USER MOD Set 1.2: A 42 SER OG : rot -120:sc= 0.00167 USER MOD Set 1.3: A 44 GLN : amide:sc= 0.203 K(o=-0.089,f=-9.5!) USER MOD Set 2.1: A 16 SER OG : rot 145:sc= 0.771 USER MOD Set 2.2: A 18 SER OG : rot 180:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= 1.18 (180deg=1.01) USER MOD Single : A 4 ASN : amide:sc= -1.65! C(o=-1.7!,f=-12!) USER MOD Single : A 5 ASN : amide:sc= -0.744 K(o=-0.74,f=-14!) USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= -4.61! (180deg=-6.83!) USER MOD Single : A 12 LYS NZ :NH3+ 155:sc= -0.237 (180deg=-1.06) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 0.194 (180deg=-0.0743) USER MOD Single : A 14 LYS NZ :NH3+ -151:sc= -0.0545 (180deg=-0.392) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0637 USER MOD Single : A 29 GLN : amide:sc= -0.786 K(o=-0.79,f=-2!) USER MOD Single : A 30 THR OG1 : rot 117:sc= 0.847 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= 0.462 (180deg=-0.278) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -3.79! C(o=-3.8!,f=-7.9!) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -0.332 (180deg=-1.61!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.32) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.89! USER MOD Single : A 62 GLN : amide:sc= 0.931 K(o=0.93,f=-0.94) USER MOD Single : A 64 GLN : amide:sc= -0.981! C(o=-0.98!,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.624 -1.709 11.785 1.00 0.00 N ATOM 2 CA MET A 1 -15.429 -2.225 12.441 1.00 0.00 C ATOM 3 C MET A 1 -14.171 -1.575 11.863 1.00 0.00 C ATOM 4 O MET A 1 -13.882 -0.404 12.146 1.00 0.00 O ATOM 5 CB MET A 1 -15.354 -3.763 12.315 1.00 0.00 C ATOM 6 CG MET A 1 -16.259 -4.251 11.178 1.00 0.00 C ATOM 7 SD MET A 1 -15.736 -3.503 9.616 1.00 0.00 S ATOM 8 CE MET A 1 -16.820 -4.460 8.537 1.00 0.00 C ATOM 0 H1 MET A 1 -17.466 -2.175 12.180 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.691 -0.683 11.942 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.570 -1.900 10.764 1.00 0.00 H new ATOM 0 HA MET A 1 -15.489 -1.973 13.500 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.325 -4.069 12.126 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.657 -4.226 13.254 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.213 -5.338 11.105 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.296 -3.989 11.388 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.663 -4.157 7.502 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.594 -5.521 8.643 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.859 -4.281 8.813 1.00 0.00 H new ATOM 18 N ILE A 2 -13.448 -2.323 11.044 1.00 0.00 N ATOM 19 CA ILE A 2 -12.241 -1.830 10.400 1.00 0.00 C ATOM 20 C ILE A 2 -12.336 -2.073 8.895 1.00 0.00 C ATOM 21 O ILE A 2 -12.626 -3.195 8.468 1.00 0.00 O ATOM 22 CB ILE A 2 -11.017 -2.566 10.985 1.00 0.00 C ATOM 23 CG1 ILE A 2 -10.932 -2.278 12.490 1.00 0.00 C ATOM 24 CG2 ILE A 2 -9.732 -2.070 10.304 1.00 0.00 C ATOM 25 CD1 ILE A 2 -9.880 -3.179 13.133 1.00 0.00 C ATOM 0 H ILE A 2 -13.681 -3.287 10.807 1.00 0.00 H new ATOM 0 HA ILE A 2 -12.132 -0.760 10.579 1.00 0.00 H new ATOM 0 HB ILE A 2 -11.124 -3.637 10.813 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -10.677 -1.231 12.655 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -11.902 -2.447 12.957 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -8.873 -2.594 10.722 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -9.789 -2.264 9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.621 -0.999 10.473 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.825 -2.969 14.201 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.154 -4.223 12.982 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.909 -2.989 12.675 1.00 0.00 H new ATOM 37 N ILE A 3 -12.114 -1.048 8.091 1.00 0.00 N ATOM 38 CA ILE A 3 -12.189 -1.222 6.646 1.00 0.00 C ATOM 39 C ILE A 3 -11.118 -2.203 6.168 1.00 0.00 C ATOM 40 O ILE A 3 -11.421 -3.151 5.427 1.00 0.00 O ATOM 41 CB ILE A 3 -12.054 0.134 5.926 1.00 0.00 C ATOM 42 CG1 ILE A 3 -13.302 0.977 6.216 1.00 0.00 C ATOM 43 CG2 ILE A 3 -11.933 -0.082 4.409 1.00 0.00 C ATOM 44 CD1 ILE A 3 -13.089 2.405 5.734 1.00 0.00 C ATOM 0 H ILE A 3 -11.885 -0.104 8.402 1.00 0.00 H new ATOM 0 HA ILE A 3 -13.166 -1.638 6.400 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.161 0.645 6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -14.169 0.542 5.718 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -13.513 0.973 7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.838 0.883 3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.052 -0.688 4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -12.823 -0.594 4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -13.980 2.997 5.944 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -12.234 2.840 6.252 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.900 2.402 4.661 1.00 0.00 H new ATOM 56 N ASN A 4 -9.895 -2.040 6.674 1.00 0.00 N ATOM 57 CA ASN A 4 -8.792 -2.956 6.370 1.00 0.00 C ATOM 58 C ASN A 4 -7.606 -2.656 7.273 1.00 0.00 C ATOM 59 O ASN A 4 -7.592 -1.633 7.956 1.00 0.00 O ATOM 60 CB ASN A 4 -8.365 -2.852 4.896 1.00 0.00 C ATOM 61 CG ASN A 4 -7.514 -4.062 4.505 1.00 0.00 C ATOM 62 OD1 ASN A 4 -7.257 -4.945 5.329 1.00 0.00 O ATOM 63 ND2 ASN A 4 -7.062 -4.168 3.304 1.00 0.00 N ATOM 0 H ASN A 4 -9.641 -1.277 7.301 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.141 -3.973 6.549 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.247 -2.797 4.258 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.799 -1.934 4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.497 -4.976 3.041 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.269 -3.444 2.616 1.00 0.00 H new ATOM 70 N ASN A 5 -6.615 -3.534 7.271 1.00 0.00 N ATOM 71 CA ASN A 5 -5.415 -3.358 8.093 1.00 0.00 C ATOM 72 C ASN A 5 -4.190 -3.889 7.361 1.00 0.00 C ATOM 73 O ASN A 5 -4.266 -4.927 6.703 1.00 0.00 O ATOM 74 CB ASN A 5 -5.577 -4.089 9.434 1.00 0.00 C ATOM 75 CG ASN A 5 -4.429 -3.740 10.379 1.00 0.00 C ATOM 76 OD1 ASN A 5 -3.260 -3.893 10.024 1.00 0.00 O ATOM 77 ND2 ASN A 5 -4.688 -3.275 11.559 1.00 0.00 N ATOM 0 H ASN A 5 -6.613 -4.384 6.707 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.280 -2.293 8.283 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.528 -3.815 9.891 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.603 -5.166 9.267 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.925 -3.036 12.192 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.655 -3.147 11.856 1.00 0.00 H new ATOM 84 N LEU A 6 -3.044 -3.223 7.523 1.00 0.00 N ATOM 85 CA LEU A 6 -1.804 -3.679 6.886 1.00 0.00 C ATOM 86 C LEU A 6 -1.477 -5.089 7.344 1.00 0.00 C ATOM 87 O LEU A 6 -0.934 -5.891 6.575 1.00 0.00 O ATOM 88 CB LEU A 6 -0.632 -2.716 7.174 1.00 0.00 C ATOM 89 CG LEU A 6 -0.196 -1.981 5.879 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.589 -2.919 4.960 1.00 0.00 C ATOM 91 CD2 LEU A 6 -1.412 -1.445 5.116 1.00 0.00 C ATOM 0 H LEU A 6 -2.948 -2.376 8.083 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.955 -3.686 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.930 -1.988 7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.211 -3.273 7.583 1.00 0.00 H new ATOM 0 HG LEU A 6 0.439 -1.147 6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.884 -2.382 4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.479 -3.275 5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.037 -3.769 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.079 -0.934 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.065 -2.274 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.958 -0.745 5.748 1.00 0.00 H new ATOM 103 N LYS A 7 -1.961 -5.435 8.529 1.00 0.00 N ATOM 104 CA LYS A 7 -1.859 -6.798 9.015 1.00 0.00 C ATOM 105 C LYS A 7 -2.493 -7.724 8.010 1.00 0.00 C ATOM 106 O LYS A 7 -1.919 -8.739 7.637 1.00 0.00 O ATOM 107 CB LYS A 7 -2.637 -6.933 10.348 1.00 0.00 C ATOM 108 CG LYS A 7 -2.891 -8.420 10.673 1.00 0.00 C ATOM 109 CD LYS A 7 -1.585 -9.125 11.000 1.00 0.00 C ATOM 110 CE LYS A 7 -1.846 -10.621 11.130 1.00 0.00 C ATOM 111 NZ LYS A 7 -2.247 -11.157 9.807 1.00 0.00 N ATOM 0 H LYS A 7 -2.426 -4.790 9.168 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.809 -7.049 9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.071 -6.469 11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.586 -6.402 10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.576 -8.502 11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.371 -8.907 9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.850 -8.938 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.168 -8.734 11.928 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.951 -11.130 11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.631 -10.804 11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.085 -12.184 9.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.256 -10.962 9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.682 -10.701 9.062 1.00 0.00 H new ATOM 125 N LEU A 8 -3.688 -7.368 7.595 1.00 0.00 N ATOM 126 CA LEU A 8 -4.440 -8.153 6.644 1.00 0.00 C ATOM 127 C LEU A 8 -3.776 -8.096 5.279 1.00 0.00 C ATOM 128 O LEU A 8 -3.795 -9.066 4.521 1.00 0.00 O ATOM 129 CB LEU A 8 -5.891 -7.658 6.568 1.00 0.00 C ATOM 130 CG LEU A 8 -6.543 -7.765 7.967 1.00 0.00 C ATOM 131 CD1 LEU A 8 -8.021 -7.371 7.904 1.00 0.00 C ATOM 132 CD2 LEU A 8 -6.388 -9.181 8.539 1.00 0.00 C ATOM 0 H LEU A 8 -4.166 -6.524 7.909 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.454 -9.191 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.917 -6.625 6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.452 -8.252 5.846 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.028 -7.072 8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.462 -7.453 8.897 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.109 -6.343 7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.546 -8.036 7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.855 -9.229 9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.870 -9.897 7.873 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.329 -9.424 8.628 1.00 0.00 H new ATOM 144 N ILE A 9 -3.209 -6.941 4.968 1.00 0.00 N ATOM 145 CA ILE A 9 -2.600 -6.706 3.669 1.00 0.00 C ATOM 146 C ILE A 9 -1.450 -7.689 3.467 1.00 0.00 C ATOM 147 O ILE A 9 -1.309 -8.279 2.388 1.00 0.00 O ATOM 148 CB ILE A 9 -2.061 -5.257 3.618 1.00 0.00 C ATOM 149 CG1 ILE A 9 -3.224 -4.247 3.686 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.268 -5.026 2.322 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.121 -4.367 2.459 1.00 0.00 C ATOM 0 H ILE A 9 -3.158 -6.145 5.604 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.339 -6.848 2.881 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.404 -5.110 4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.810 -4.421 4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.828 -3.234 3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.895 -4.002 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.428 -5.719 2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.918 -5.193 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.934 -3.644 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.537 -4.168 1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.535 -5.374 2.408 1.00 0.00 H new ATOM 163 N ARG A 10 -0.645 -7.884 4.499 1.00 0.00 N ATOM 164 CA ARG A 10 0.469 -8.812 4.396 1.00 0.00 C ATOM 165 C ARG A 10 -0.016 -10.246 4.181 1.00 0.00 C ATOM 166 O ARG A 10 0.590 -11.006 3.421 1.00 0.00 O ATOM 167 CB ARG A 10 1.354 -8.755 5.639 1.00 0.00 C ATOM 168 CG ARG A 10 2.130 -7.431 5.670 1.00 0.00 C ATOM 169 CD ARG A 10 3.060 -7.433 6.884 1.00 0.00 C ATOM 170 NE ARG A 10 2.287 -7.354 8.124 1.00 0.00 N ATOM 171 CZ ARG A 10 2.235 -8.364 8.998 1.00 0.00 C ATOM 172 NH1 ARG A 10 2.716 -9.536 8.672 1.00 0.00 N ATOM 173 NH2 ARG A 10 1.655 -8.195 10.155 1.00 0.00 N ATOM 0 H ARG A 10 -0.739 -7.421 5.403 1.00 0.00 H new ATOM 0 HA ARG A 10 1.056 -8.507 3.530 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.742 -8.848 6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.050 -9.594 5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.707 -7.310 4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.439 -6.590 5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.666 -8.339 6.884 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.748 -6.590 6.823 1.00 0.00 H new ATOM 0 HE ARG A 10 1.770 -6.499 8.328 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.131 -9.679 7.751 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.676 -10.307 9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.242 -7.293 10.391 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.615 -8.965 10.823 1.00 0.00 H new ATOM 187 N GLU A 11 -1.093 -10.618 4.854 1.00 0.00 N ATOM 188 CA GLU A 11 -1.616 -11.976 4.738 1.00 0.00 C ATOM 189 C GLU A 11 -2.082 -12.223 3.318 1.00 0.00 C ATOM 190 O GLU A 11 -1.794 -13.268 2.731 1.00 0.00 O ATOM 191 CB GLU A 11 -2.769 -12.189 5.709 1.00 0.00 C ATOM 192 CG GLU A 11 -2.354 -11.759 7.120 1.00 0.00 C ATOM 193 CD GLU A 11 -1.272 -12.654 7.692 1.00 0.00 C ATOM 194 OE1 GLU A 11 -0.167 -12.623 7.193 1.00 0.00 O ATOM 195 OE2 GLU A 11 -1.556 -13.338 8.645 1.00 0.00 O ATOM 0 H GLU A 11 -1.619 -10.009 5.480 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.822 -12.681 4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.638 -11.615 5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.063 -13.238 5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.997 -10.729 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.225 -11.778 7.776 1.00 0.00 H new ATOM 202 N LYS A 12 -2.689 -11.210 2.730 1.00 0.00 N ATOM 203 CA LYS A 12 -3.115 -11.270 1.338 1.00 0.00 C ATOM 204 C LYS A 12 -1.910 -11.493 0.438 1.00 0.00 C ATOM 205 O LYS A 12 -1.965 -12.273 -0.515 1.00 0.00 O ATOM 206 CB LYS A 12 -3.840 -9.983 0.964 1.00 0.00 C ATOM 207 CG LYS A 12 -5.197 -9.948 1.688 1.00 0.00 C ATOM 208 CD LYS A 12 -5.508 -8.529 2.167 1.00 0.00 C ATOM 209 CE LYS A 12 -5.819 -7.602 0.989 1.00 0.00 C ATOM 210 NZ LYS A 12 -6.716 -8.281 0.025 1.00 0.00 N ATOM 0 H LYS A 12 -2.901 -10.328 3.196 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.803 -12.105 1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.240 -9.117 1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.987 -9.933 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.984 -10.293 1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.181 -10.630 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.357 -8.551 2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.659 -8.137 2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.288 -6.687 1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.894 -7.311 0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.250 -7.569 -0.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.150 -8.857 -0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.379 -8.894 0.541 1.00 0.00 H new ATOM 224 N LYS A 13 -0.808 -10.867 0.794 1.00 0.00 N ATOM 225 CA LYS A 13 0.450 -11.082 0.092 1.00 0.00 C ATOM 226 C LYS A 13 1.069 -12.419 0.486 1.00 0.00 C ATOM 227 O LYS A 13 2.089 -12.828 -0.079 1.00 0.00 O ATOM 228 CB LYS A 13 1.432 -9.941 0.361 1.00 0.00 C ATOM 229 CG LYS A 13 0.902 -8.629 -0.246 1.00 0.00 C ATOM 230 CD LYS A 13 0.859 -8.750 -1.780 1.00 0.00 C ATOM 231 CE LYS A 13 0.371 -7.434 -2.382 1.00 0.00 C ATOM 232 NZ LYS A 13 0.344 -7.547 -3.856 1.00 0.00 N ATOM 0 H LYS A 13 -0.753 -10.203 1.566 1.00 0.00 H new ATOM 0 HA LYS A 13 0.235 -11.102 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.576 -9.821 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.405 -10.181 -0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.095 -8.414 0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.543 -7.797 0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.850 -8.992 -2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.196 -9.564 -2.073 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.624 -7.197 -2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.028 -6.618 -2.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.127 -6.619 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.272 -7.870 -4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.386 -8.232 -4.138 1.00 0.00 H new ATOM 246 N LYS A 14 0.486 -13.066 1.492 1.00 0.00 N ATOM 247 CA LYS A 14 1.001 -14.335 2.017 1.00 0.00 C ATOM 248 C LYS A 14 2.481 -14.218 2.325 1.00 0.00 C ATOM 249 O LYS A 14 3.320 -14.760 1.601 1.00 0.00 O ATOM 250 CB LYS A 14 0.755 -15.505 1.036 1.00 0.00 C ATOM 251 CG LYS A 14 -0.507 -15.255 0.180 1.00 0.00 C ATOM 252 CD LYS A 14 -0.095 -14.847 -1.248 1.00 0.00 C ATOM 253 CE LYS A 14 -0.710 -15.816 -2.272 1.00 0.00 C ATOM 254 NZ LYS A 14 -0.183 -17.191 -2.041 1.00 0.00 N ATOM 0 H LYS A 14 -0.352 -12.731 1.966 1.00 0.00 H new ATOM 0 HA LYS A 14 0.458 -14.552 2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.621 -15.627 0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.642 -16.434 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.121 -16.155 0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.115 -14.471 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.427 -13.829 -1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.991 -14.852 -1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.796 -15.813 -2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.472 -15.490 -3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.173 -17.715 -2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.784 -17.133 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.792 -17.686 -1.358 1.00 0.00 H new ATOM 268 N ILE A 15 2.807 -13.459 3.360 1.00 0.00 N ATOM 269 CA ILE A 15 4.197 -13.207 3.702 1.00 0.00 C ATOM 270 C ILE A 15 4.661 -14.134 4.817 1.00 0.00 C ATOM 271 O ILE A 15 4.102 -14.133 5.927 1.00 0.00 O ATOM 272 CB ILE A 15 4.385 -11.745 4.118 1.00 0.00 C ATOM 273 CG1 ILE A 15 3.940 -10.834 2.977 1.00 0.00 C ATOM 274 CG2 ILE A 15 5.863 -11.472 4.428 1.00 0.00 C ATOM 275 CD1 ILE A 15 3.954 -9.387 3.449 1.00 0.00 C ATOM 0 H ILE A 15 2.130 -13.008 3.976 1.00 0.00 H new ATOM 0 HA ILE A 15 4.805 -13.405 2.819 1.00 0.00 H new ATOM 0 HB ILE A 15 3.787 -11.549 5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.604 -10.955 2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.939 -11.110 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.986 -10.430 4.723 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.190 -12.120 5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.464 -11.672 3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.636 -8.736 2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.273 -9.273 4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.963 -9.115 3.759 1.00 0.00 H new ATOM 287 N SER A 16 5.710 -14.881 4.529 1.00 0.00 N ATOM 288 CA SER A 16 6.305 -15.792 5.488 1.00 0.00 C ATOM 289 C SER A 16 7.173 -15.037 6.474 1.00 0.00 C ATOM 290 O SER A 16 7.555 -13.882 6.226 1.00 0.00 O ATOM 291 CB SER A 16 7.157 -16.834 4.760 1.00 0.00 C ATOM 292 OG SER A 16 8.281 -16.181 4.158 1.00 0.00 O ATOM 0 H SER A 16 6.175 -14.873 3.621 1.00 0.00 H new ATOM 0 HA SER A 16 5.501 -16.290 6.031 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.496 -17.598 5.460 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.563 -17.340 3.998 1.00 0.00 H new ATOM 0 HG SER A 16 9.059 -16.776 4.186 1.00 0.00 H new ATOM 298 N GLN A 17 7.600 -15.723 7.518 1.00 0.00 N ATOM 299 CA GLN A 17 8.537 -15.140 8.450 1.00 0.00 C ATOM 300 C GLN A 17 9.812 -14.795 7.703 1.00 0.00 C ATOM 301 O GLN A 17 10.400 -13.728 7.907 1.00 0.00 O ATOM 302 CB GLN A 17 8.842 -16.133 9.569 1.00 0.00 C ATOM 303 CG GLN A 17 7.583 -16.339 10.405 1.00 0.00 C ATOM 304 CD GLN A 17 7.822 -17.388 11.472 1.00 0.00 C ATOM 305 OE1 GLN A 17 8.943 -17.874 11.643 1.00 0.00 O ATOM 306 NE2 GLN A 17 6.837 -17.768 12.209 1.00 0.00 N ATOM 0 H GLN A 17 7.314 -16.677 7.738 1.00 0.00 H new ATOM 0 HA GLN A 17 8.111 -14.239 8.891 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.175 -17.082 9.150 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.652 -15.759 10.194 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.290 -15.398 10.871 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.758 -16.647 9.762 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.910 -17.366 12.068 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.984 -18.471 12.934 1.00 0.00 H new ATOM 315 N SER A 18 10.207 -15.686 6.800 1.00 0.00 N ATOM 316 CA SER A 18 11.383 -15.473 5.971 1.00 0.00 C ATOM 317 C SER A 18 11.206 -14.252 5.075 1.00 0.00 C ATOM 318 O SER A 18 12.076 -13.367 5.015 1.00 0.00 O ATOM 319 CB SER A 18 11.653 -16.724 5.124 1.00 0.00 C ATOM 320 OG SER A 18 10.441 -17.173 4.490 1.00 0.00 O ATOM 0 H SER A 18 9.725 -16.568 6.625 1.00 0.00 H new ATOM 0 HA SER A 18 12.238 -15.289 6.622 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.406 -16.503 4.368 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.057 -17.517 5.754 1.00 0.00 H new ATOM 0 HG SER A 18 10.629 -17.970 3.952 1.00 0.00 H new ATOM 326 N GLU A 19 10.044 -14.170 4.443 1.00 0.00 N ATOM 327 CA GLU A 19 9.713 -13.045 3.581 1.00 0.00 C ATOM 328 C GLU A 19 9.564 -11.781 4.400 1.00 0.00 C ATOM 329 O GLU A 19 10.055 -10.718 4.011 1.00 0.00 O ATOM 330 CB GLU A 19 8.421 -13.343 2.826 1.00 0.00 C ATOM 331 CG GLU A 19 8.670 -14.467 1.809 1.00 0.00 C ATOM 332 CD GLU A 19 7.366 -14.905 1.188 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.405 -15.021 1.916 1.00 0.00 O ATOM 334 OE2 GLU A 19 7.343 -15.137 0.001 1.00 0.00 O ATOM 0 H GLU A 19 9.310 -14.875 4.512 1.00 0.00 H new ATOM 0 HA GLU A 19 10.520 -12.895 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.638 -13.637 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.071 -12.446 2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.353 -14.121 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.149 -15.313 2.301 1.00 0.00 H new ATOM 341 N LEU A 20 8.941 -11.895 5.562 1.00 0.00 N ATOM 342 CA LEU A 20 8.782 -10.741 6.427 1.00 0.00 C ATOM 343 C LEU A 20 10.157 -10.241 6.817 1.00 0.00 C ATOM 344 O LEU A 20 10.457 -9.058 6.686 1.00 0.00 O ATOM 345 CB LEU A 20 7.958 -11.096 7.680 1.00 0.00 C ATOM 346 CG LEU A 20 7.765 -9.844 8.564 1.00 0.00 C ATOM 347 CD1 LEU A 20 7.056 -8.740 7.768 1.00 0.00 C ATOM 348 CD2 LEU A 20 6.916 -10.200 9.790 1.00 0.00 C ATOM 0 H LEU A 20 8.543 -12.762 5.923 1.00 0.00 H new ATOM 0 HA LEU A 20 8.240 -9.960 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.987 -11.495 7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.464 -11.877 8.248 1.00 0.00 H new ATOM 0 HG LEU A 20 8.744 -9.489 8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.925 -7.862 8.401 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.658 -8.474 6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.081 -9.098 7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.783 -9.314 10.410 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.942 -10.565 9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.419 -10.975 10.368 1.00 0.00 H new ATOM 360 N ALA A 21 11.042 -11.170 7.153 1.00 0.00 N ATOM 361 CA ALA A 21 12.429 -10.829 7.424 1.00 0.00 C ATOM 362 C ALA A 21 13.063 -10.212 6.188 1.00 0.00 C ATOM 363 O ALA A 21 13.838 -9.256 6.282 1.00 0.00 O ATOM 364 CB ALA A 21 13.214 -12.066 7.848 1.00 0.00 C ATOM 0 H ALA A 21 10.824 -12.162 7.244 1.00 0.00 H new ATOM 0 HA ALA A 21 12.454 -10.106 8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.250 -11.790 8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.771 -12.486 8.751 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.183 -12.808 7.050 1.00 0.00 H new ATOM 370 N ALA A 22 12.700 -10.741 5.033 1.00 0.00 N ATOM 371 CA ALA A 22 13.189 -10.215 3.762 1.00 0.00 C ATOM 372 C ALA A 22 12.705 -8.786 3.568 1.00 0.00 C ATOM 373 O ALA A 22 13.453 -7.923 3.120 1.00 0.00 O ATOM 374 CB ALA A 22 12.714 -11.091 2.595 1.00 0.00 C ATOM 0 H ALA A 22 12.067 -11.536 4.945 1.00 0.00 H new ATOM 0 HA ALA A 22 14.279 -10.224 3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.089 -10.682 1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.091 -12.106 2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.624 -11.109 2.573 1.00 0.00 H new ATOM 380 N LEU A 23 11.470 -8.532 3.969 1.00 0.00 N ATOM 381 CA LEU A 23 10.904 -7.189 3.891 1.00 0.00 C ATOM 382 C LEU A 23 11.700 -6.238 4.771 1.00 0.00 C ATOM 383 O LEU A 23 11.935 -5.078 4.411 1.00 0.00 O ATOM 384 CB LEU A 23 9.430 -7.197 4.313 1.00 0.00 C ATOM 385 CG LEU A 23 8.592 -7.927 3.248 1.00 0.00 C ATOM 386 CD1 LEU A 23 7.194 -8.208 3.787 1.00 0.00 C ATOM 387 CD2 LEU A 23 8.474 -7.047 2.001 1.00 0.00 C ATOM 0 H LEU A 23 10.838 -9.235 4.352 1.00 0.00 H new ATOM 0 HA LEU A 23 10.961 -6.847 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.320 -7.691 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.071 -6.175 4.435 1.00 0.00 H new ATOM 0 HG LEU A 23 9.081 -8.868 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.608 -8.725 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.266 -8.833 4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.707 -7.267 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.881 -7.563 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.989 -6.107 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.468 -6.843 1.604 1.00 0.00 H new ATOM 399 N LEU A 24 12.111 -6.736 5.915 1.00 0.00 N ATOM 400 CA LEU A 24 12.890 -5.951 6.861 1.00 0.00 C ATOM 401 C LEU A 24 14.330 -5.747 6.376 1.00 0.00 C ATOM 402 O LEU A 24 15.204 -5.376 7.159 1.00 0.00 O ATOM 403 CB LEU A 24 12.876 -6.596 8.258 1.00 0.00 C ATOM 404 CG LEU A 24 11.647 -6.110 9.048 1.00 0.00 C ATOM 405 CD1 LEU A 24 10.367 -6.567 8.357 1.00 0.00 C ATOM 406 CD2 LEU A 24 11.677 -6.684 10.465 1.00 0.00 C ATOM 0 H LEU A 24 11.919 -7.690 6.220 1.00 0.00 H new ATOM 0 HA LEU A 24 12.421 -4.970 6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.854 -7.682 8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.789 -6.340 8.795 1.00 0.00 H new ATOM 0 HG LEU A 24 11.671 -5.021 9.092 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.503 -6.218 8.923 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.330 -6.154 7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.351 -7.656 8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.804 -6.335 11.017 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.665 -7.773 10.417 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.583 -6.353 10.972 1.00 0.00 H new ATOM 418 N GLU A 25 14.569 -5.967 5.079 1.00 0.00 N ATOM 419 CA GLU A 25 15.903 -5.741 4.512 1.00 0.00 C ATOM 420 C GLU A 25 16.357 -4.297 4.753 1.00 0.00 C ATOM 421 O GLU A 25 17.529 -3.955 4.536 1.00 0.00 O ATOM 422 CB GLU A 25 15.953 -6.080 3.006 1.00 0.00 C ATOM 423 CG GLU A 25 14.953 -5.219 2.221 1.00 0.00 C ATOM 424 CD GLU A 25 15.207 -5.363 0.734 1.00 0.00 C ATOM 425 OE1 GLU A 25 16.225 -4.886 0.280 1.00 0.00 O ATOM 426 OE2 GLU A 25 14.381 -5.944 0.060 1.00 0.00 O ATOM 0 H GLU A 25 13.870 -6.295 4.412 1.00 0.00 H new ATOM 0 HA GLU A 25 16.591 -6.415 5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 25 16.961 -5.915 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 25 15.726 -7.136 2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.933 -5.524 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.049 -4.174 2.516 1.00 0.00 H new ATOM 433 N VAL A 26 15.428 -3.452 5.180 1.00 0.00 N ATOM 434 CA VAL A 26 15.718 -2.056 5.469 1.00 0.00 C ATOM 435 C VAL A 26 15.786 -1.849 6.977 1.00 0.00 C ATOM 436 O VAL A 26 15.429 -2.743 7.745 1.00 0.00 O ATOM 437 CB VAL A 26 14.642 -1.145 4.843 1.00 0.00 C ATOM 438 CG1 VAL A 26 14.755 -1.188 3.315 1.00 0.00 C ATOM 439 CG2 VAL A 26 13.247 -1.636 5.251 1.00 0.00 C ATOM 0 H VAL A 26 14.455 -3.715 5.335 1.00 0.00 H new ATOM 0 HA VAL A 26 16.682 -1.792 5.033 1.00 0.00 H new ATOM 0 HB VAL A 26 14.792 -0.125 5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 26 13.994 -0.544 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.743 -0.840 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 26 14.609 -2.211 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.490 -0.990 4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.104 -2.658 4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.155 -1.610 6.337 1.00 0.00 H new ATOM 449 N SER A 27 16.372 -0.737 7.401 1.00 0.00 N ATOM 450 CA SER A 27 16.619 -0.511 8.819 1.00 0.00 C ATOM 451 C SER A 27 15.404 -0.907 9.659 1.00 0.00 C ATOM 452 O SER A 27 14.346 -0.271 9.582 1.00 0.00 O ATOM 453 CB SER A 27 16.950 0.966 9.057 1.00 0.00 C ATOM 454 OG SER A 27 17.828 1.435 8.023 1.00 0.00 O ATOM 0 H SER A 27 16.683 0.017 6.789 1.00 0.00 H new ATOM 0 HA SER A 27 17.463 -1.131 9.122 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.034 1.557 9.067 1.00 0.00 H new ATOM 0 HB3 SER A 27 17.421 1.091 10.032 1.00 0.00 H new ATOM 0 HG SER A 27 18.037 2.380 8.175 1.00 0.00 H new ATOM 460 N ARG A 28 15.594 -1.877 10.538 1.00 0.00 N ATOM 461 CA ARG A 28 14.555 -2.282 11.469 1.00 0.00 C ATOM 462 C ARG A 28 14.272 -1.166 12.446 1.00 0.00 C ATOM 463 O ARG A 28 13.124 -0.906 12.771 1.00 0.00 O ATOM 464 CB ARG A 28 14.946 -3.564 12.214 1.00 0.00 C ATOM 465 CG ARG A 28 14.383 -4.792 11.466 1.00 0.00 C ATOM 466 CD ARG A 28 15.432 -5.367 10.507 1.00 0.00 C ATOM 467 NE ARG A 28 16.784 -5.186 11.045 1.00 0.00 N ATOM 468 CZ ARG A 28 17.382 -6.093 11.804 1.00 0.00 C ATOM 469 NH1 ARG A 28 16.780 -7.217 12.061 1.00 0.00 N ATOM 470 NH2 ARG A 28 18.577 -5.864 12.271 1.00 0.00 N ATOM 0 H ARG A 28 16.464 -2.401 10.626 1.00 0.00 H new ATOM 0 HA ARG A 28 13.649 -2.492 10.900 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.031 -3.637 12.288 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.558 -3.537 13.232 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.081 -5.555 12.184 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.490 -4.508 10.909 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.240 -6.427 10.344 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.353 -4.876 9.537 1.00 0.00 H new ATOM 0 HE ARG A 28 17.286 -4.325 10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.852 -7.397 11.679 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.236 -7.918 12.645 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.051 -4.988 12.052 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.038 -6.561 12.855 1.00 0.00 H new ATOM 484 N GLN A 29 15.327 -0.467 12.864 1.00 0.00 N ATOM 485 CA GLN A 29 15.196 0.661 13.799 1.00 0.00 C ATOM 486 C GLN A 29 14.026 1.550 13.424 1.00 0.00 C ATOM 487 O GLN A 29 13.471 2.241 14.271 1.00 0.00 O ATOM 488 CB GLN A 29 16.488 1.487 13.868 1.00 0.00 C ATOM 489 CG GLN A 29 17.604 0.672 14.539 1.00 0.00 C ATOM 490 CD GLN A 29 17.245 0.379 15.992 1.00 0.00 C ATOM 491 OE1 GLN A 29 16.477 -0.549 16.271 1.00 0.00 O ATOM 492 NE2 GLN A 29 17.740 1.112 16.936 1.00 0.00 N ATOM 0 H GLN A 29 16.285 -0.659 12.572 1.00 0.00 H new ATOM 0 HA GLN A 29 15.008 0.240 14.787 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.795 1.780 12.864 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.312 2.405 14.428 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.756 -0.263 13.999 1.00 0.00 H new ATOM 0 HG3 GLN A 29 18.544 1.223 14.493 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.374 1.878 16.708 1.00 0.00 H new ATOM 0 HE22 GLN A 29 17.497 0.924 17.909 1.00 0.00 H new ATOM 501 N THR A 30 13.604 1.467 12.187 1.00 0.00 N ATOM 502 CA THR A 30 12.452 2.199 11.736 1.00 0.00 C ATOM 503 C THR A 30 11.248 1.791 12.601 1.00 0.00 C ATOM 504 O THR A 30 10.538 2.650 13.134 1.00 0.00 O ATOM 505 CB THR A 30 12.183 1.869 10.255 1.00 0.00 C ATOM 506 OG1 THR A 30 13.411 1.908 9.534 1.00 0.00 O ATOM 507 CG2 THR A 30 11.223 2.902 9.651 1.00 0.00 C ATOM 0 H THR A 30 14.048 0.893 11.470 1.00 0.00 H new ATOM 0 HA THR A 30 12.621 3.272 11.828 1.00 0.00 H new ATOM 0 HB THR A 30 11.737 0.876 10.189 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.611 1.016 9.181 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.039 2.660 8.604 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.280 2.886 10.198 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.666 3.895 9.721 1.00 0.00 H new ATOM 515 N ILE A 31 11.113 0.476 12.840 1.00 0.00 N ATOM 516 CA ILE A 31 10.042 -0.062 13.689 1.00 0.00 C ATOM 517 C ILE A 31 10.148 0.497 15.096 1.00 0.00 C ATOM 518 O ILE A 31 9.147 0.661 15.782 1.00 0.00 O ATOM 519 CB ILE A 31 10.089 -1.613 13.718 1.00 0.00 C ATOM 520 CG1 ILE A 31 8.799 -2.180 14.345 1.00 0.00 C ATOM 521 CG2 ILE A 31 11.283 -2.087 14.557 1.00 0.00 C ATOM 522 CD1 ILE A 31 7.594 -1.901 13.447 1.00 0.00 C ATOM 0 H ILE A 31 11.735 -0.234 12.455 1.00 0.00 H new ATOM 0 HA ILE A 31 9.085 0.243 13.265 1.00 0.00 H new ATOM 0 HB ILE A 31 10.186 -1.967 12.692 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.904 -3.254 14.497 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.639 -1.733 15.326 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.308 -3.177 14.572 1.00 0.00 H new ATOM 0 HG22 ILE A 31 12.207 -1.709 14.120 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.183 -1.713 15.576 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.695 -2.309 13.908 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.479 -0.825 13.317 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.748 -2.370 12.475 1.00 0.00 H new ATOM 534 N ASN A 32 11.355 0.847 15.506 1.00 0.00 N ATOM 535 CA ASN A 32 11.555 1.422 16.828 1.00 0.00 C ATOM 536 C ASN A 32 10.549 2.531 17.047 1.00 0.00 C ATOM 537 O ASN A 32 10.075 2.743 18.158 1.00 0.00 O ATOM 538 CB ASN A 32 12.973 1.989 16.969 1.00 0.00 C ATOM 539 CG ASN A 32 13.362 2.050 18.436 1.00 0.00 C ATOM 540 OD1 ASN A 32 13.780 1.043 19.001 1.00 0.00 O ATOM 541 ND2 ASN A 32 13.247 3.164 19.091 1.00 0.00 N ATOM 0 H ASN A 32 12.204 0.745 14.950 1.00 0.00 H new ATOM 0 HA ASN A 32 11.419 0.638 17.573 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.680 1.365 16.422 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.021 2.985 16.529 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.504 3.205 20.077 1.00 0.00 H new ATOM 0 HD22 ASN A 32 12.900 3.999 18.620 1.00 0.00 H new ATOM 548 N GLY A 33 10.194 3.198 15.956 1.00 0.00 N ATOM 549 CA GLY A 33 9.226 4.283 15.986 1.00 0.00 C ATOM 550 C GLY A 33 7.878 3.839 16.550 1.00 0.00 C ATOM 551 O GLY A 33 6.996 4.674 16.781 1.00 0.00 O ATOM 0 H GLY A 33 10.569 3.001 15.028 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.619 5.101 16.590 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.086 4.670 14.977 1.00 0.00 H new ATOM 555 N ILE A 34 7.728 2.543 16.840 1.00 0.00 N ATOM 556 CA ILE A 34 6.488 2.063 17.423 1.00 0.00 C ATOM 557 C ILE A 34 6.194 2.787 18.715 1.00 0.00 C ATOM 558 O ILE A 34 5.039 2.956 19.077 1.00 0.00 O ATOM 559 CB ILE A 34 6.521 0.544 17.662 1.00 0.00 C ATOM 560 CG1 ILE A 34 7.741 0.156 18.513 1.00 0.00 C ATOM 561 CG2 ILE A 34 6.544 -0.207 16.335 1.00 0.00 C ATOM 562 CD1 ILE A 34 7.672 -1.336 18.846 1.00 0.00 C ATOM 0 H ILE A 34 8.437 1.827 16.682 1.00 0.00 H new ATOM 0 HA ILE A 34 5.691 2.271 16.709 1.00 0.00 H new ATOM 0 HB ILE A 34 5.617 0.265 18.204 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.661 0.377 17.972 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.761 0.744 19.430 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.567 -1.280 16.525 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.651 0.041 15.761 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.430 0.081 15.769 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.536 -1.614 19.450 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.758 -1.543 19.403 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.673 -1.915 17.923 1.00 0.00 H new ATOM 574 N GLU A 35 7.229 3.332 19.340 1.00 0.00 N ATOM 575 CA GLU A 35 7.023 4.121 20.541 1.00 0.00 C ATOM 576 C GLU A 35 5.971 5.183 20.279 1.00 0.00 C ATOM 577 O GLU A 35 5.030 5.344 21.055 1.00 0.00 O ATOM 578 CB GLU A 35 8.333 4.790 20.997 1.00 0.00 C ATOM 579 CG GLU A 35 9.143 5.273 19.783 1.00 0.00 C ATOM 580 CD GLU A 35 10.137 6.330 20.204 1.00 0.00 C ATOM 581 OE1 GLU A 35 11.207 5.973 20.617 1.00 0.00 O ATOM 582 OE2 GLU A 35 9.813 7.495 20.097 1.00 0.00 O ATOM 0 H GLU A 35 8.200 3.244 19.041 1.00 0.00 H new ATOM 0 HA GLU A 35 6.685 3.455 21.335 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.109 5.633 21.651 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.925 4.084 21.579 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.667 4.432 19.328 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.471 5.677 19.026 1.00 0.00 H new ATOM 589 N LYS A 36 6.107 5.876 19.155 1.00 0.00 N ATOM 590 CA LYS A 36 5.135 6.882 18.778 1.00 0.00 C ATOM 591 C LYS A 36 4.165 6.309 17.747 1.00 0.00 C ATOM 592 O LYS A 36 3.082 6.854 17.532 1.00 0.00 O ATOM 593 CB LYS A 36 5.859 8.103 18.188 1.00 0.00 C ATOM 594 CG LYS A 36 6.951 8.589 19.163 1.00 0.00 C ATOM 595 CD LYS A 36 6.341 9.063 20.495 1.00 0.00 C ATOM 596 CE LYS A 36 7.451 9.167 21.565 1.00 0.00 C ATOM 597 NZ LYS A 36 8.749 9.533 20.933 1.00 0.00 N ATOM 0 H LYS A 36 6.877 5.758 18.496 1.00 0.00 H new ATOM 0 HA LYS A 36 4.574 7.187 19.662 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.306 7.843 17.228 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.144 8.904 18.000 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.659 7.782 19.352 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.512 9.405 18.707 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.859 10.031 20.362 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.570 8.365 20.822 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.178 9.915 22.310 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.550 8.216 22.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.416 9.846 21.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.140 8.706 20.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.598 10.304 20.251 1.00 0.00 H new ATOM 611 N ASN A 37 4.564 5.212 17.106 1.00 0.00 N ATOM 612 CA ASN A 37 3.745 4.573 16.066 1.00 0.00 C ATOM 613 C ASN A 37 2.870 3.457 16.622 1.00 0.00 C ATOM 614 O ASN A 37 2.274 2.695 15.863 1.00 0.00 O ATOM 615 CB ASN A 37 4.607 4.062 14.902 1.00 0.00 C ATOM 616 CG ASN A 37 5.177 5.236 14.105 1.00 0.00 C ATOM 617 OD1 ASN A 37 4.522 6.273 13.962 1.00 0.00 O ATOM 618 ND2 ASN A 37 6.358 5.139 13.560 1.00 0.00 N ATOM 0 H ASN A 37 5.451 4.743 17.286 1.00 0.00 H new ATOM 0 HA ASN A 37 3.079 5.345 15.681 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.420 3.446 15.286 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.008 3.427 14.249 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.736 5.917 13.019 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.904 4.285 13.675 1.00 0.00 H new ATOM 625 N LYS A 38 2.804 3.356 17.950 1.00 0.00 N ATOM 626 CA LYS A 38 1.994 2.323 18.609 1.00 0.00 C ATOM 627 C LYS A 38 0.515 2.507 18.278 1.00 0.00 C ATOM 628 O LYS A 38 -0.283 1.570 18.403 1.00 0.00 O ATOM 629 CB LYS A 38 2.221 2.329 20.124 1.00 0.00 C ATOM 630 CG LYS A 38 3.229 1.216 20.509 1.00 0.00 C ATOM 631 CD LYS A 38 4.302 1.771 21.460 1.00 0.00 C ATOM 632 CE LYS A 38 4.347 0.942 22.741 1.00 0.00 C ATOM 633 NZ LYS A 38 3.258 1.387 23.648 1.00 0.00 N ATOM 0 H LYS A 38 3.300 3.974 18.592 1.00 0.00 H new ATOM 0 HA LYS A 38 2.310 1.351 18.229 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.600 3.301 20.440 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.276 2.171 20.643 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.703 0.389 20.987 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.701 0.817 19.611 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.276 1.753 20.972 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.084 2.812 21.699 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.233 -0.117 22.508 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.314 1.058 23.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.284 0.825 24.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.387 2.393 23.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.339 1.255 23.179 1.00 0.00 H new ATOM 647 N TYR A 39 0.187 3.678 17.747 1.00 0.00 N ATOM 648 CA TYR A 39 -1.145 3.958 17.225 1.00 0.00 C ATOM 649 C TYR A 39 -1.533 2.898 16.214 1.00 0.00 C ATOM 650 O TYR A 39 -0.750 1.984 15.919 1.00 0.00 O ATOM 651 CB TYR A 39 -1.190 5.331 16.538 1.00 0.00 C ATOM 652 CG TYR A 39 -1.240 6.430 17.569 1.00 0.00 C ATOM 653 CD1 TYR A 39 -2.428 6.681 18.256 1.00 0.00 C ATOM 654 CD2 TYR A 39 -0.111 7.205 17.826 1.00 0.00 C ATOM 655 CE1 TYR A 39 -2.488 7.704 19.202 1.00 0.00 C ATOM 656 CE2 TYR A 39 -0.168 8.231 18.771 1.00 0.00 C ATOM 657 CZ TYR A 39 -1.362 8.479 19.460 1.00 0.00 C ATOM 658 OH TYR A 39 -1.429 9.495 20.387 1.00 0.00 O ATOM 0 H TYR A 39 0.836 4.460 17.666 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.842 3.955 18.063 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.312 5.457 15.904 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.063 5.392 15.889 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.304 6.082 18.055 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.809 7.012 17.294 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.408 7.894 19.734 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.707 8.832 18.970 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.557 9.939 20.450 1.00 0.00 H new ATOM 668 N ASN A 40 -2.707 3.044 15.629 1.00 0.00 N ATOM 669 CA ASN A 40 -3.128 2.117 14.592 1.00 0.00 C ATOM 670 C ASN A 40 -2.099 2.182 13.470 1.00 0.00 C ATOM 671 O ASN A 40 -1.392 3.192 13.348 1.00 0.00 O ATOM 672 CB ASN A 40 -4.514 2.516 14.059 1.00 0.00 C ATOM 673 CG ASN A 40 -5.358 1.280 13.750 1.00 0.00 C ATOM 674 OD1 ASN A 40 -5.064 0.180 14.235 1.00 0.00 O ATOM 675 ND2 ASN A 40 -6.391 1.391 12.977 1.00 0.00 N ATOM 0 H ASN A 40 -3.377 3.781 15.848 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.196 1.105 14.990 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.026 3.136 14.795 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.401 3.119 13.158 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.962 0.572 12.768 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.634 2.297 12.577 1.00 0.00 H new ATOM 682 N PRO A 41 -1.852 1.076 12.795 1.00 0.00 N ATOM 683 CA PRO A 41 -0.693 0.968 11.853 1.00 0.00 C ATOM 684 C PRO A 41 -0.324 2.298 11.219 1.00 0.00 C ATOM 685 O PRO A 41 -0.957 2.753 10.261 1.00 0.00 O ATOM 686 CB PRO A 41 -1.187 -0.020 10.802 1.00 0.00 C ATOM 687 CG PRO A 41 -2.103 -0.921 11.555 1.00 0.00 C ATOM 688 CD PRO A 41 -2.797 -0.044 12.603 1.00 0.00 C ATOM 0 HA PRO A 41 0.217 0.649 12.361 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.706 0.488 9.990 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.361 -0.574 10.355 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.832 -1.381 10.888 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.549 -1.731 12.030 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.769 0.306 12.254 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.969 -0.588 13.532 1.00 0.00 H new ATOM 696 N SER A 42 0.719 2.902 11.754 1.00 0.00 N ATOM 697 CA SER A 42 1.207 4.159 11.257 1.00 0.00 C ATOM 698 C SER A 42 1.877 3.932 9.913 1.00 0.00 C ATOM 699 O SER A 42 2.555 2.908 9.706 1.00 0.00 O ATOM 700 CB SER A 42 2.184 4.754 12.265 1.00 0.00 C ATOM 701 OG SER A 42 1.639 4.601 13.585 1.00 0.00 O ATOM 0 H SER A 42 1.246 2.530 12.544 1.00 0.00 H new ATOM 0 HA SER A 42 0.384 4.861 11.122 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.150 4.253 12.195 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.355 5.808 12.047 1.00 0.00 H new ATOM 0 HG SER A 42 1.526 5.483 13.997 1.00 0.00 H new ATOM 707 N LEU A 43 1.593 4.801 8.971 1.00 0.00 N ATOM 708 CA LEU A 43 2.026 4.600 7.605 1.00 0.00 C ATOM 709 C LEU A 43 3.538 4.580 7.472 1.00 0.00 C ATOM 710 O LEU A 43 4.078 3.780 6.724 1.00 0.00 O ATOM 711 CB LEU A 43 1.399 5.634 6.669 1.00 0.00 C ATOM 712 CG LEU A 43 -0.042 5.211 6.301 1.00 0.00 C ATOM 713 CD1 LEU A 43 -0.029 3.884 5.520 1.00 0.00 C ATOM 714 CD2 LEU A 43 -0.887 5.046 7.573 1.00 0.00 C ATOM 0 H LEU A 43 1.062 5.658 9.125 1.00 0.00 H new ATOM 0 HA LEU A 43 1.673 3.613 7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.388 6.612 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.000 5.730 5.765 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.479 5.990 5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.051 3.600 5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.550 4.006 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.424 3.105 6.134 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.900 4.748 7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.442 4.281 8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.920 5.992 8.113 1.00 0.00 H new ATOM 726 N GLN A 44 4.222 5.462 8.186 1.00 0.00 N ATOM 727 CA GLN A 44 5.690 5.523 8.092 1.00 0.00 C ATOM 728 C GLN A 44 6.280 4.123 8.129 1.00 0.00 C ATOM 729 O GLN A 44 7.041 3.731 7.237 1.00 0.00 O ATOM 730 CB GLN A 44 6.271 6.327 9.258 1.00 0.00 C ATOM 731 CG GLN A 44 5.574 7.681 9.359 1.00 0.00 C ATOM 732 CD GLN A 44 4.598 7.646 10.520 1.00 0.00 C ATOM 733 OE1 GLN A 44 3.601 6.915 10.462 1.00 0.00 O ATOM 734 NE2 GLN A 44 4.826 8.355 11.571 1.00 0.00 N ATOM 0 H GLN A 44 3.804 6.136 8.827 1.00 0.00 H new ATOM 0 HA GLN A 44 5.944 6.008 7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.146 5.774 10.189 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.342 6.470 9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.308 8.473 9.508 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.048 7.904 8.431 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.650 8.955 11.612 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.183 8.316 12.362 1.00 0.00 H new ATOM 743 N LEU A 45 5.947 3.380 9.183 1.00 0.00 N ATOM 744 CA LEU A 45 6.448 2.021 9.342 1.00 0.00 C ATOM 745 C LEU A 45 5.898 1.128 8.243 1.00 0.00 C ATOM 746 O LEU A 45 6.603 0.282 7.691 1.00 0.00 O ATOM 747 CB LEU A 45 6.009 1.449 10.704 1.00 0.00 C ATOM 748 CG LEU A 45 6.651 2.244 11.847 1.00 0.00 C ATOM 749 CD1 LEU A 45 6.166 1.703 13.193 1.00 0.00 C ATOM 750 CD2 LEU A 45 8.163 2.123 11.782 1.00 0.00 C ATOM 0 H LEU A 45 5.335 3.697 9.935 1.00 0.00 H new ATOM 0 HA LEU A 45 7.536 2.050 9.286 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.923 1.488 10.790 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.296 0.400 10.775 1.00 0.00 H new ATOM 0 HG LEU A 45 6.365 3.291 11.746 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.626 2.272 14.001 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.082 1.798 13.254 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.444 0.653 13.285 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.609 2.691 12.598 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.448 1.075 11.871 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.519 2.516 10.830 1.00 0.00 H new ATOM 762 N ALA A 46 4.612 1.283 7.989 1.00 0.00 N ATOM 763 CA ALA A 46 3.902 0.446 7.037 1.00 0.00 C ATOM 764 C ALA A 46 4.320 0.701 5.596 1.00 0.00 C ATOM 765 O ALA A 46 4.234 -0.197 4.761 1.00 0.00 O ATOM 766 CB ALA A 46 2.383 0.614 7.188 1.00 0.00 C ATOM 0 H ALA A 46 4.030 1.991 8.436 1.00 0.00 H new ATOM 0 HA ALA A 46 4.174 -0.583 7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.873 -0.022 6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.084 0.329 8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.113 1.655 7.010 1.00 0.00 H new ATOM 772 N LEU A 47 4.602 1.950 5.267 1.00 0.00 N ATOM 773 CA LEU A 47 4.774 2.329 3.869 1.00 0.00 C ATOM 774 C LEU A 47 5.902 1.584 3.192 1.00 0.00 C ATOM 775 O LEU A 47 5.729 1.117 2.080 1.00 0.00 O ATOM 776 CB LEU A 47 4.979 3.847 3.722 1.00 0.00 C ATOM 777 CG LEU A 47 3.629 4.572 3.847 1.00 0.00 C ATOM 778 CD1 LEU A 47 3.873 6.068 4.050 1.00 0.00 C ATOM 779 CD2 LEU A 47 2.826 4.390 2.555 1.00 0.00 C ATOM 0 H LEU A 47 4.716 2.712 5.936 1.00 0.00 H new ATOM 0 HA LEU A 47 3.850 2.045 3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.667 4.206 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.433 4.070 2.756 1.00 0.00 H new ATOM 0 HG LEU A 47 3.080 4.158 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.917 6.584 4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.454 6.222 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.422 6.466 3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.869 4.905 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.385 4.808 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.652 3.328 2.381 1.00 0.00 H new ATOM 791 N LYS A 48 7.043 1.439 3.840 1.00 0.00 N ATOM 792 CA LYS A 48 8.133 0.733 3.175 1.00 0.00 C ATOM 793 C LYS A 48 7.805 -0.717 2.910 1.00 0.00 C ATOM 794 O LYS A 48 8.012 -1.214 1.795 1.00 0.00 O ATOM 795 CB LYS A 48 9.449 0.862 3.929 1.00 0.00 C ATOM 796 CG LYS A 48 9.953 2.290 3.781 1.00 0.00 C ATOM 797 CD LYS A 48 11.304 2.442 4.474 1.00 0.00 C ATOM 798 CE LYS A 48 11.816 3.853 4.218 1.00 0.00 C ATOM 799 NZ LYS A 48 11.742 4.137 2.762 1.00 0.00 N ATOM 0 H LYS A 48 7.240 1.780 4.781 1.00 0.00 H new ATOM 0 HA LYS A 48 8.257 1.221 2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.308 0.618 4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.182 0.159 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.046 2.544 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.233 2.985 4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.204 2.263 5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.012 1.706 4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.220 4.577 4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.843 3.950 4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.440 4.867 2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.946 3.268 2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.788 4.474 2.522 1.00 0.00 H new ATOM 813 N ILE A 49 7.227 -1.379 3.897 1.00 0.00 N ATOM 814 CA ILE A 49 6.818 -2.750 3.710 1.00 0.00 C ATOM 815 C ILE A 49 5.627 -2.815 2.764 1.00 0.00 C ATOM 816 O ILE A 49 5.605 -3.620 1.828 1.00 0.00 O ATOM 817 CB ILE A 49 6.534 -3.434 5.065 1.00 0.00 C ATOM 818 CG1 ILE A 49 6.276 -4.928 4.857 1.00 0.00 C ATOM 819 CG2 ILE A 49 5.334 -2.794 5.767 1.00 0.00 C ATOM 820 CD1 ILE A 49 6.334 -5.650 6.207 1.00 0.00 C ATOM 0 H ILE A 49 7.035 -0.992 4.821 1.00 0.00 H new ATOM 0 HA ILE A 49 7.635 -3.306 3.249 1.00 0.00 H new ATOM 0 HB ILE A 49 7.411 -3.303 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.301 -5.078 4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.019 -5.345 4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.158 -3.297 6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.538 -1.738 5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.450 -2.891 5.137 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.150 -6.714 6.059 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.319 -5.510 6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.574 -5.240 6.872 1.00 0.00 H new ATOM 832 N ALA A 50 4.678 -1.897 2.951 1.00 0.00 N ATOM 833 CA ALA A 50 3.518 -1.811 2.075 1.00 0.00 C ATOM 834 C ALA A 50 3.935 -1.411 0.672 1.00 0.00 C ATOM 835 O ALA A 50 3.407 -1.926 -0.302 1.00 0.00 O ATOM 836 CB ALA A 50 2.490 -0.821 2.627 1.00 0.00 C ATOM 0 H ALA A 50 4.693 -1.206 3.701 1.00 0.00 H new ATOM 0 HA ALA A 50 3.055 -2.797 2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.633 -0.774 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.161 -1.150 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.943 0.167 2.707 1.00 0.00 H new ATOM 842 N TYR A 51 4.873 -0.481 0.572 1.00 0.00 N ATOM 843 CA TYR A 51 5.381 -0.037 -0.719 1.00 0.00 C ATOM 844 C TYR A 51 6.047 -1.177 -1.457 1.00 0.00 C ATOM 845 O TYR A 51 5.816 -1.374 -2.662 1.00 0.00 O ATOM 846 CB TYR A 51 6.348 1.141 -0.567 1.00 0.00 C ATOM 847 CG TYR A 51 6.924 1.493 -1.923 1.00 0.00 C ATOM 848 CD1 TYR A 51 6.116 2.086 -2.899 1.00 0.00 C ATOM 849 CD2 TYR A 51 8.265 1.222 -2.198 1.00 0.00 C ATOM 850 CE1 TYR A 51 6.651 2.393 -4.153 1.00 0.00 C ATOM 851 CE2 TYR A 51 8.797 1.534 -3.447 1.00 0.00 C ATOM 852 CZ TYR A 51 7.994 2.119 -4.423 1.00 0.00 C ATOM 853 OH TYR A 51 8.529 2.419 -5.656 1.00 0.00 O ATOM 0 H TYR A 51 5.300 -0.017 1.373 1.00 0.00 H new ATOM 0 HA TYR A 51 4.528 0.304 -1.306 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.828 2.001 -0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.149 0.882 0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.081 2.306 -2.684 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.891 0.770 -1.442 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.027 2.841 -4.912 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.835 1.322 -3.659 1.00 0.00 H new ATOM 0 HH TYR A 51 9.475 2.164 -5.673 1.00 0.00 H new ATOM 863 N TYR A 52 6.896 -1.922 -0.749 1.00 0.00 N ATOM 864 CA TYR A 52 7.604 -3.038 -1.354 1.00 0.00 C ATOM 865 C TYR A 52 6.587 -4.030 -1.878 1.00 0.00 C ATOM 866 O TYR A 52 6.672 -4.494 -3.012 1.00 0.00 O ATOM 867 CB TYR A 52 8.525 -3.730 -0.337 1.00 0.00 C ATOM 868 CG TYR A 52 9.300 -4.837 -1.028 1.00 0.00 C ATOM 869 CD1 TYR A 52 10.492 -4.537 -1.688 1.00 0.00 C ATOM 870 CD2 TYR A 52 8.826 -6.156 -1.006 1.00 0.00 C ATOM 871 CE1 TYR A 52 11.214 -5.544 -2.323 1.00 0.00 C ATOM 872 CE2 TYR A 52 9.555 -7.169 -1.646 1.00 0.00 C ATOM 873 CZ TYR A 52 10.749 -6.858 -2.308 1.00 0.00 C ATOM 874 OH TYR A 52 11.476 -7.848 -2.935 1.00 0.00 O ATOM 0 H TYR A 52 7.106 -1.770 0.238 1.00 0.00 H new ATOM 0 HA TYR A 52 8.225 -2.663 -2.167 1.00 0.00 H new ATOM 0 HB2 TYR A 52 9.214 -3.006 0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.936 -4.141 0.483 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.856 -3.520 -1.706 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.903 -6.391 -0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.138 -5.306 -2.829 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.196 -8.187 -1.628 1.00 0.00 H new ATOM 0 HH TYR A 52 11.016 -8.707 -2.831 1.00 0.00 H new ATOM 884 N LEU A 53 5.592 -4.308 -1.058 1.00 0.00 N ATOM 885 CA LEU A 53 4.514 -5.190 -1.458 1.00 0.00 C ATOM 886 C LEU A 53 3.656 -4.486 -2.498 1.00 0.00 C ATOM 887 O LEU A 53 3.345 -3.308 -2.357 1.00 0.00 O ATOM 888 CB LEU A 53 3.651 -5.531 -0.239 1.00 0.00 C ATOM 889 CG LEU A 53 4.476 -6.314 0.796 1.00 0.00 C ATOM 890 CD1 LEU A 53 3.669 -6.443 2.089 1.00 0.00 C ATOM 891 CD2 LEU A 53 4.794 -7.718 0.261 1.00 0.00 C ATOM 0 H LEU A 53 5.508 -3.936 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 53 4.928 -6.107 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.266 -4.616 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.789 -6.121 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 53 5.408 -5.782 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.249 -6.997 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.443 -5.450 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.739 -6.974 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.379 -8.265 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.864 -8.252 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.365 -7.634 -0.663 1.00 0.00 H new ATOM 903 N ASN A 54 3.214 -5.212 -3.495 1.00 0.00 N ATOM 904 CA ASN A 54 2.339 -4.630 -4.496 1.00 0.00 C ATOM 905 C ASN A 54 0.931 -4.531 -3.945 1.00 0.00 C ATOM 906 O ASN A 54 0.028 -5.254 -4.378 1.00 0.00 O ATOM 907 CB ASN A 54 2.349 -5.470 -5.770 1.00 0.00 C ATOM 908 CG ASN A 54 1.393 -4.882 -6.801 1.00 0.00 C ATOM 909 OD1 ASN A 54 1.556 -3.726 -7.212 1.00 0.00 O ATOM 910 ND2 ASN A 54 0.398 -5.596 -7.230 1.00 0.00 N ATOM 0 H ASN A 54 3.439 -6.196 -3.639 1.00 0.00 H new ATOM 0 HA ASN A 54 2.699 -3.631 -4.742 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.358 -5.508 -6.180 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.060 -6.495 -5.540 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.255 -5.205 -7.909 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.269 -6.548 -6.888 1.00 0.00 H new ATOM 917 N THR A 55 0.767 -3.681 -2.953 1.00 0.00 N ATOM 918 CA THR A 55 -0.518 -3.491 -2.295 1.00 0.00 C ATOM 919 C THR A 55 -0.754 -2.013 -2.037 1.00 0.00 C ATOM 920 O THR A 55 -0.031 -1.395 -1.253 1.00 0.00 O ATOM 921 CB THR A 55 -0.546 -4.255 -0.955 1.00 0.00 C ATOM 922 OG1 THR A 55 0.682 -4.964 -0.784 1.00 0.00 O ATOM 923 CG2 THR A 55 -1.717 -5.239 -0.932 1.00 0.00 C ATOM 0 H THR A 55 1.517 -3.101 -2.577 1.00 0.00 H new ATOM 0 HA THR A 55 -1.304 -3.876 -2.945 1.00 0.00 H new ATOM 0 HB THR A 55 -0.671 -3.540 -0.141 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.665 -5.448 0.068 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.726 -5.772 0.019 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.653 -4.693 -1.051 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.608 -5.954 -1.748 1.00 0.00 H new ATOM 931 N PRO A 56 -1.713 -1.421 -2.688 1.00 0.00 N ATOM 932 CA PRO A 56 -1.972 0.031 -2.478 1.00 0.00 C ATOM 933 C PRO A 56 -2.322 0.314 -1.025 1.00 0.00 C ATOM 934 O PRO A 56 -3.188 -0.351 -0.451 1.00 0.00 O ATOM 935 CB PRO A 56 -3.190 0.311 -3.374 1.00 0.00 C ATOM 936 CG PRO A 56 -3.160 -0.764 -4.405 1.00 0.00 C ATOM 937 CD PRO A 56 -2.640 -1.998 -3.687 1.00 0.00 C ATOM 0 HA PRO A 56 -1.106 0.650 -2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.117 0.284 -2.801 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.126 1.299 -3.831 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.153 -0.939 -4.818 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.512 -0.492 -5.238 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.445 -2.562 -3.216 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.130 -2.679 -4.368 1.00 0.00 H new ATOM 945 N LEU A 57 -1.752 1.367 -0.480 1.00 0.00 N ATOM 946 CA LEU A 57 -2.120 1.820 0.853 1.00 0.00 C ATOM 947 C LEU A 57 -3.557 2.314 0.821 1.00 0.00 C ATOM 948 O LEU A 57 -4.312 2.174 1.781 1.00 0.00 O ATOM 949 CB LEU A 57 -1.197 2.946 1.333 1.00 0.00 C ATOM 950 CG LEU A 57 0.117 2.367 1.905 1.00 0.00 C ATOM 951 CD1 LEU A 57 -0.174 1.275 2.940 1.00 0.00 C ATOM 952 CD2 LEU A 57 0.980 1.796 0.768 1.00 0.00 C ATOM 0 H LEU A 57 -1.032 1.928 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.019 0.986 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.974 3.618 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.703 3.537 2.096 1.00 0.00 H new ATOM 0 HG LEU A 57 0.661 3.173 2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.766 0.882 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.758 1.696 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.737 0.469 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.904 1.390 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.432 1.004 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.217 2.588 0.058 1.00 0.00 H new ATOM 964 N GLU A 58 -3.902 2.935 -0.298 1.00 0.00 N ATOM 965 CA GLU A 58 -5.208 3.537 -0.515 1.00 0.00 C ATOM 966 C GLU A 58 -6.312 2.634 0.008 1.00 0.00 C ATOM 967 O GLU A 58 -7.363 3.112 0.462 1.00 0.00 O ATOM 968 CB GLU A 58 -5.407 3.743 -2.009 1.00 0.00 C ATOM 969 CG GLU A 58 -4.374 4.751 -2.524 1.00 0.00 C ATOM 970 CD GLU A 58 -4.499 4.916 -4.022 1.00 0.00 C ATOM 971 OE1 GLU A 58 -5.484 4.477 -4.572 1.00 0.00 O ATOM 972 OE2 GLU A 58 -3.595 5.453 -4.606 1.00 0.00 O ATOM 0 H GLU A 58 -3.271 3.036 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.252 4.487 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.300 2.795 -2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.416 4.106 -2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.519 5.713 -2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.369 4.412 -2.272 1.00 0.00 H new ATOM 979 N ASP A 59 -6.068 1.341 -0.045 1.00 0.00 N ATOM 980 CA ASP A 59 -7.039 0.371 0.409 1.00 0.00 C ATOM 981 C ASP A 59 -7.349 0.585 1.873 1.00 0.00 C ATOM 982 O ASP A 59 -8.510 0.507 2.289 1.00 0.00 O ATOM 983 CB ASP A 59 -6.512 -1.040 0.199 1.00 0.00 C ATOM 984 CG ASP A 59 -7.631 -2.029 0.390 1.00 0.00 C ATOM 985 OD1 ASP A 59 -8.553 -1.998 -0.385 1.00 0.00 O ATOM 986 OD2 ASP A 59 -7.557 -2.809 1.300 1.00 0.00 O ATOM 0 H ASP A 59 -5.201 0.938 -0.400 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.953 0.501 -0.171 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.093 -1.138 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.706 -1.247 0.903 1.00 0.00 H new ATOM 991 N ILE A 60 -6.326 0.884 2.662 1.00 0.00 N ATOM 992 CA ILE A 60 -6.537 1.196 4.062 1.00 0.00 C ATOM 993 C ILE A 60 -6.902 2.671 4.236 1.00 0.00 C ATOM 994 O ILE A 60 -7.560 3.045 5.212 1.00 0.00 O ATOM 995 CB ILE A 60 -5.324 0.827 4.934 1.00 0.00 C ATOM 996 CG1 ILE A 60 -4.108 1.669 4.543 1.00 0.00 C ATOM 997 CG2 ILE A 60 -4.980 -0.661 4.737 1.00 0.00 C ATOM 998 CD1 ILE A 60 -3.031 1.516 5.613 1.00 0.00 C ATOM 0 H ILE A 60 -5.353 0.916 2.358 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.372 0.584 4.404 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.576 1.020 5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.724 1.348 3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.392 2.716 4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.121 -0.921 5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.834 -1.273 5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.742 -0.844 3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.161 2.113 5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.420 1.857 6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.742 0.468 5.691 1.00 0.00 H new ATOM 1010 N PHE A 61 -6.516 3.502 3.260 1.00 0.00 N ATOM 1011 CA PHE A 61 -6.836 4.940 3.311 1.00 0.00 C ATOM 1012 C PHE A 61 -8.307 5.156 3.052 1.00 0.00 C ATOM 1013 O PHE A 61 -8.701 6.007 2.246 1.00 0.00 O ATOM 1014 CB PHE A 61 -6.012 5.756 2.304 1.00 0.00 C ATOM 1015 CG PHE A 61 -4.533 5.738 2.642 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -4.095 5.457 3.947 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -3.597 6.024 1.641 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -2.731 5.459 4.239 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -2.232 6.028 1.938 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.798 5.743 3.237 1.00 0.00 C ATOM 0 H PHE A 61 -5.989 3.213 2.436 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.579 5.289 4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.161 5.354 1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.370 6.786 2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.814 5.240 4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.931 6.242 0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.395 5.241 5.242 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.512 6.251 1.165 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.743 5.742 3.466 1.00 0.00 H new ATOM 1030 N GLN A 62 -9.117 4.417 3.766 1.00 0.00 N ATOM 1031 CA GLN A 62 -10.543 4.554 3.682 1.00 0.00 C ATOM 1032 C GLN A 62 -11.013 5.132 4.995 1.00 0.00 C ATOM 1033 O GLN A 62 -10.744 4.566 6.058 1.00 0.00 O ATOM 1034 CB GLN A 62 -11.170 3.181 3.457 1.00 0.00 C ATOM 1035 CG GLN A 62 -10.545 2.519 2.226 1.00 0.00 C ATOM 1036 CD GLN A 62 -10.817 3.332 0.972 1.00 0.00 C ATOM 1037 OE1 GLN A 62 -11.953 3.745 0.737 1.00 0.00 O ATOM 1038 NE2 GLN A 62 -9.842 3.591 0.156 1.00 0.00 N ATOM 0 H GLN A 62 -8.803 3.703 4.423 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.831 5.203 2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.018 2.553 4.335 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.247 3.281 3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.470 2.416 2.371 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.948 1.513 2.106 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.903 3.246 0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.014 4.140 -0.686 1.00 0.00 H new ATOM 1047 N TRP A 63 -11.555 6.328 4.946 1.00 0.00 N ATOM 1048 CA TRP A 63 -11.872 7.040 6.171 1.00 0.00 C ATOM 1049 C TRP A 63 -13.043 6.424 6.906 1.00 0.00 C ATOM 1050 O TRP A 63 -14.142 6.279 6.356 1.00 0.00 O ATOM 1051 CB TRP A 63 -12.117 8.523 5.889 1.00 0.00 C ATOM 1052 CG TRP A 63 -10.808 9.189 5.626 1.00 0.00 C ATOM 1053 CD1 TRP A 63 -9.899 9.509 6.567 1.00 0.00 C ATOM 1054 CD2 TRP A 63 -10.238 9.596 4.353 1.00 0.00 C ATOM 1055 NE1 TRP A 63 -8.810 10.097 5.951 1.00 0.00 N ATOM 1056 CE2 TRP A 63 -8.973 10.171 4.589 1.00 0.00 C ATOM 1057 CE3 TRP A 63 -10.691 9.524 3.030 1.00 0.00 C ATOM 1058 CZ2 TRP A 63 -8.184 10.661 3.553 1.00 0.00 C ATOM 1059 CZ3 TRP A 63 -9.903 10.017 1.979 1.00 0.00 C ATOM 1060 CH2 TRP A 63 -8.649 10.582 2.242 1.00 0.00 C ATOM 0 H TRP A 63 -11.784 6.826 4.086 1.00 0.00 H new ATOM 0 HA TRP A 63 -11.006 6.952 6.827 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -12.778 8.639 5.030 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -12.614 8.991 6.739 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -10.004 9.335 7.628 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.986 10.435 6.448 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -11.655 9.085 2.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.219 11.099 3.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -10.265 9.960 0.963 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -8.043 10.956 1.430 1.00 0.00 H new ATOM 1071 N GLN A 64 -12.817 6.150 8.172 1.00 0.00 N ATOM 1072 CA GLN A 64 -13.830 5.637 9.077 1.00 0.00 C ATOM 1073 C GLN A 64 -13.920 6.593 10.256 1.00 0.00 C ATOM 1074 O GLN A 64 -12.933 7.261 10.573 1.00 0.00 O ATOM 1075 CB GLN A 64 -13.412 4.243 9.589 1.00 0.00 C ATOM 1076 CG GLN A 64 -14.490 3.200 9.272 1.00 0.00 C ATOM 1077 CD GLN A 64 -14.136 1.863 9.908 1.00 0.00 C ATOM 1078 OE1 GLN A 64 -14.180 0.831 9.253 1.00 0.00 O ATOM 1079 NE2 GLN A 64 -13.780 1.812 11.139 1.00 0.00 N ATOM 0 H GLN A 64 -11.906 6.279 8.613 1.00 0.00 H new ATOM 0 HA GLN A 64 -14.789 5.554 8.566 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.469 3.949 9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -13.243 4.282 10.665 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -15.456 3.542 9.642 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.586 3.083 8.193 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.740 2.667 11.694 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.537 0.917 11.563 1.00 0.00 H new ATOM 1088 N PRO A 65 -15.032 6.642 10.948 1.00 0.00 N ATOM 1089 CA PRO A 65 -15.128 7.512 12.165 1.00 0.00 C ATOM 1090 C PRO A 65 -14.006 7.153 13.127 1.00 0.00 C ATOM 1091 O PRO A 65 -13.292 8.024 13.625 1.00 0.00 O ATOM 1092 CB PRO A 65 -16.487 7.140 12.762 1.00 0.00 C ATOM 1093 CG PRO A 65 -17.288 6.679 11.592 1.00 0.00 C ATOM 1094 CD PRO A 65 -16.303 5.936 10.694 1.00 0.00 C ATOM 0 HA PRO A 65 -15.041 8.578 11.953 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.391 6.355 13.512 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.954 7.994 13.252 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.103 6.026 11.906 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.739 7.522 11.068 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -16.237 4.879 10.953 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.593 5.990 9.645 1.00 0.00 H new ATOM 1102 N GLU A 66 -13.763 5.856 13.217 1.00 0.00 N ATOM 1103 CA GLU A 66 -12.643 5.290 13.946 1.00 0.00 C ATOM 1104 C GLU A 66 -12.358 3.914 13.387 1.00 0.00 C ATOM 1105 O GLU A 66 -13.302 3.193 13.172 1.00 0.00 O ATOM 1106 CB GLU A 66 -12.952 5.154 15.437 1.00 0.00 C ATOM 1107 CG GLU A 66 -13.163 6.528 16.064 1.00 0.00 C ATOM 1108 CD GLU A 66 -13.367 6.382 17.549 1.00 0.00 C ATOM 1109 OE1 GLU A 66 -12.388 6.387 18.260 1.00 0.00 O ATOM 1110 OE2 GLU A 66 -14.498 6.259 17.963 1.00 0.00 O ATOM 1111 OXT GLU A 66 -11.217 3.599 13.186 1.00 0.00 O ATOM 0 H GLU A 66 -14.354 5.152 12.774 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.786 5.954 13.833 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.844 4.543 15.576 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.132 4.640 15.939 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.301 7.165 15.866 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.028 7.015 15.614 1.00 0.00 H new TER 1118 GLU A 66