USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 937 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 107 MET CE :methyl -156:sc= -0.697 (180deg=-0.926) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -6.96! C(o=-9.1!,f=-6.4!) USER MOD Set 1.3: A 110 LYS NZ :NH3+ -165:sc= -1.5 (180deg=-0.996) USER MOD Set 2.1: A 33 HIS : no HE2:sc= -8.46! C(o=-17!,f=-26!) USER MOD Set 2.2: A 45 SER OG : rot 170:sc= -1.53 USER MOD Set 2.3: A 49 ASN : amide:sc= -6.76! C(o=-17!,f=-15!) USER MOD Single : A 5 GLN : amide:sc= -0.84 K(o=-0.84,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -2.77 K(o=-2.8,f=-1.7) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -2.38! K(o=-2.4!,f=-1.3) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -156:sc= -0.0858 (180deg=-1.03) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -7.44! C(o=-7.4!,f=-9.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -24:sc= -1.82 USER MOD Single : A 38 ASN : amide:sc= -1.22 X(o=-1.2,f=-0.83) USER MOD Single : A 42 THR OG1 : rot -72:sc= -1.64! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -8.09! C(o=-8.1!,f=-3.6!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.336 X(o=-0.34,f=0.078!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.0734) USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= -0.01 (180deg=-0.877) USER MOD Single : A 68 LYS NZ :NH3+ -142:sc= -0.0404 (180deg=-0.515) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 79 MET CE :methyl 168:sc= -0.0237 (180deg=-0.26) USER MOD Single : A 81 LYS NZ :NH3+ 157:sc= 0.418 (180deg=0.198) USER MOD Single : A 82 SER OG : rot 101:sc= 0.0732 USER MOD Single : A 84 CYS SG : rot 160:sc= -1.77 USER MOD Single : A 92 SER OG : rot 62:sc= 0.135 USER MOD Single : A 95 ASN : amide:sc= 0.336 K(o=0.34,f=-3.9!) USER MOD Single : A 96 SER OG : rot 180:sc= 0.155 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.922 K(o=-0.92,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 10.266 -6.873 -0.503 1.00 0.00 N ATOM 38 CA ILE A 3 9.320 -5.724 -0.450 1.00 0.00 C ATOM 39 C ILE A 3 9.661 -4.803 0.727 1.00 0.00 C ATOM 40 O ILE A 3 9.686 -3.595 0.593 1.00 0.00 O ATOM 41 CB ILE A 3 7.943 -6.358 -0.255 1.00 0.00 C ATOM 42 CG1 ILE A 3 7.510 -7.044 -1.554 1.00 0.00 C ATOM 43 CG2 ILE A 3 6.927 -5.276 0.110 1.00 0.00 C ATOM 44 CD1 ILE A 3 6.701 -8.300 -1.224 1.00 0.00 C ATOM 0 HA ILE A 3 9.365 -5.111 -1.350 1.00 0.00 H new ATOM 0 HB ILE A 3 7.994 -7.093 0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.911 -6.361 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.385 -7.308 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.946 -5.730 0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.234 -4.786 1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.876 -4.539 -0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.393 -8.788 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.315 -8.985 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.818 -8.023 -0.648 1.00 0.00 H new ATOM 56 N ALA A 4 9.925 -5.360 1.877 1.00 0.00 N ATOM 57 CA ALA A 4 10.263 -4.510 3.057 1.00 0.00 C ATOM 58 C ALA A 4 10.988 -5.338 4.122 1.00 0.00 C ATOM 59 O ALA A 4 10.425 -6.238 4.713 1.00 0.00 O ATOM 60 CB ALA A 4 8.915 -4.017 3.587 1.00 0.00 C ATOM 0 H ALA A 4 9.922 -6.365 2.052 1.00 0.00 H new ATOM 0 HA ALA A 4 10.926 -3.686 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.077 -3.383 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.406 -3.445 2.811 1.00 0.00 H new ATOM 0 HB3 ALA A 4 8.300 -4.872 3.869 1.00 0.00 H new ATOM 66 N GLN A 5 12.235 -5.041 4.372 1.00 0.00 N ATOM 67 CA GLN A 5 12.997 -5.811 5.399 1.00 0.00 C ATOM 68 C GLN A 5 13.533 -4.869 6.480 1.00 0.00 C ATOM 69 O GLN A 5 14.407 -5.223 7.247 1.00 0.00 O ATOM 70 CB GLN A 5 14.149 -6.462 4.633 1.00 0.00 C ATOM 71 CG GLN A 5 15.124 -5.383 4.161 1.00 0.00 C ATOM 72 CD GLN A 5 15.237 -5.429 2.637 1.00 0.00 C ATOM 73 OE1 GLN A 5 16.322 -5.537 2.099 1.00 0.00 O ATOM 74 NE2 GLN A 5 14.155 -5.354 1.912 1.00 0.00 N ATOM 0 H GLN A 5 12.760 -4.298 3.910 1.00 0.00 H new ATOM 0 HA GLN A 5 12.376 -6.550 5.905 1.00 0.00 H new ATOM 0 HB2 GLN A 5 14.665 -7.179 5.272 1.00 0.00 H new ATOM 0 HB3 GLN A 5 13.763 -7.017 3.778 1.00 0.00 H new ATOM 0 HG2 GLN A 5 14.778 -4.400 4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 5 16.103 -5.539 4.614 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.244 -5.263 2.363 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.220 -5.386 0.895 1.00 0.00 H new ATOM 83 N GLY A 6 13.016 -3.674 6.546 1.00 0.00 N ATOM 84 CA GLY A 6 13.497 -2.711 7.578 1.00 0.00 C ATOM 85 C GLY A 6 12.367 -1.745 7.935 1.00 0.00 C ATOM 86 O GLY A 6 12.598 -0.642 8.389 1.00 0.00 O ATOM 0 H GLY A 6 12.282 -3.322 5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.826 -3.248 8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.358 -2.158 7.203 1.00 0.00 H new ATOM 90 N LYS A 7 11.145 -2.152 7.728 1.00 0.00 N ATOM 91 CA LYS A 7 9.996 -1.258 8.049 1.00 0.00 C ATOM 92 C LYS A 7 9.437 -1.587 9.437 1.00 0.00 C ATOM 93 O LYS A 7 8.994 -2.690 9.691 1.00 0.00 O ATOM 94 CB LYS A 7 8.956 -1.561 6.970 1.00 0.00 C ATOM 95 CG LYS A 7 8.243 -0.269 6.568 1.00 0.00 C ATOM 96 CD LYS A 7 8.980 0.373 5.392 1.00 0.00 C ATOM 97 CE LYS A 7 10.066 1.311 5.921 1.00 0.00 C ATOM 98 NZ LYS A 7 9.807 2.614 5.249 1.00 0.00 N ATOM 0 H LYS A 7 10.892 -3.065 7.350 1.00 0.00 H new ATOM 0 HA LYS A 7 10.281 -0.206 8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.439 -2.008 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.233 -2.287 7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.210 -0.481 6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.212 0.420 7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.425 -0.398 4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.278 0.927 4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.011 1.408 7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.062 0.936 5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.512 3.312 5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.873 2.492 4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.855 2.950 5.498 1.00 0.00 H new ATOM 112 N GLY A 8 9.447 -0.640 10.336 1.00 0.00 N ATOM 113 CA GLY A 8 8.906 -0.907 11.701 1.00 0.00 C ATOM 114 C GLY A 8 7.579 -1.652 11.573 1.00 0.00 C ATOM 115 O GLY A 8 7.295 -2.574 12.312 1.00 0.00 O ATOM 0 H GLY A 8 9.805 0.303 10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.616 -1.499 12.278 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.761 0.030 12.239 1.00 0.00 H new ATOM 119 N GLN A 9 6.766 -1.260 10.632 1.00 0.00 N ATOM 120 CA GLN A 9 5.457 -1.942 10.438 1.00 0.00 C ATOM 121 C GLN A 9 4.905 -1.607 9.051 1.00 0.00 C ATOM 122 O GLN A 9 4.044 -0.764 8.902 1.00 0.00 O ATOM 123 CB GLN A 9 4.545 -1.387 11.532 1.00 0.00 C ATOM 124 CG GLN A 9 4.355 0.117 11.332 1.00 0.00 C ATOM 125 CD GLN A 9 4.439 0.825 12.686 1.00 0.00 C ATOM 126 OE1 GLN A 9 5.396 1.520 12.964 1.00 0.00 O ATOM 127 NE2 GLN A 9 3.470 0.674 13.547 1.00 0.00 N ATOM 0 H GLN A 9 6.953 -0.493 9.986 1.00 0.00 H new ATOM 0 HA GLN A 9 5.539 -3.027 10.501 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.579 -1.892 11.505 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.978 -1.581 12.513 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.119 0.505 10.659 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.390 0.314 10.866 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.667 0.091 13.314 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.516 1.139 14.453 1.00 0.00 H new ATOM 136 N LYS A 10 5.408 -2.253 8.034 1.00 0.00 N ATOM 137 CA LYS A 10 4.930 -1.963 6.651 1.00 0.00 C ATOM 138 C LYS A 10 3.431 -2.254 6.510 1.00 0.00 C ATOM 139 O LYS A 10 2.676 -2.169 7.457 1.00 0.00 O ATOM 140 CB LYS A 10 5.746 -2.888 5.748 1.00 0.00 C ATOM 141 CG LYS A 10 5.251 -4.325 5.905 1.00 0.00 C ATOM 142 CD LYS A 10 6.440 -5.247 6.184 1.00 0.00 C ATOM 143 CE LYS A 10 5.992 -6.405 7.078 1.00 0.00 C ATOM 144 NZ LYS A 10 6.970 -6.423 8.200 1.00 0.00 N ATOM 0 H LYS A 10 6.130 -2.970 8.101 1.00 0.00 H new ATOM 0 HA LYS A 10 5.061 -0.912 6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.654 -2.572 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.803 -2.826 6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.531 -4.386 6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.735 -4.644 5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.842 -5.632 5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.241 -4.688 6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.976 -6.253 7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.998 -7.349 6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.730 -7.192 8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.927 -6.576 7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.937 -5.514 8.704 1.00 0.00 H new ATOM 158 N LEU A 11 3.003 -2.582 5.321 1.00 0.00 N ATOM 159 CA LEU A 11 1.557 -2.865 5.079 1.00 0.00 C ATOM 160 C LEU A 11 1.143 -4.203 5.701 1.00 0.00 C ATOM 161 O LEU A 11 -0.018 -4.436 5.969 1.00 0.00 O ATOM 162 CB LEU A 11 1.430 -2.932 3.557 1.00 0.00 C ATOM 163 CG LEU A 11 0.924 -1.592 3.023 1.00 0.00 C ATOM 164 CD1 LEU A 11 1.023 -1.579 1.497 1.00 0.00 C ATOM 165 CD2 LEU A 11 -0.535 -1.399 3.437 1.00 0.00 C ATOM 0 H LEU A 11 3.599 -2.667 4.498 1.00 0.00 H new ATOM 0 HA LEU A 11 0.915 -2.106 5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.396 -3.170 3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.743 -3.730 3.274 1.00 0.00 H new ATOM 0 HG LEU A 11 1.531 -0.785 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.662 -0.623 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.062 -1.719 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.416 -2.385 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.898 -0.444 3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.140 -2.207 3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.609 -1.409 4.524 1.00 0.00 H new ATOM 177 N CYS A 12 2.074 -5.088 5.921 1.00 0.00 N ATOM 178 CA CYS A 12 1.715 -6.410 6.512 1.00 0.00 C ATOM 179 C CYS A 12 1.737 -6.336 8.039 1.00 0.00 C ATOM 180 O CYS A 12 0.865 -6.856 8.707 1.00 0.00 O ATOM 181 CB CYS A 12 2.787 -7.374 6.007 1.00 0.00 C ATOM 182 SG CYS A 12 2.583 -8.979 6.818 1.00 0.00 S ATOM 0 H CYS A 12 3.065 -4.956 5.719 1.00 0.00 H new ATOM 0 HA CYS A 12 0.712 -6.728 6.227 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.709 -7.488 4.926 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.779 -6.973 6.214 1.00 0.00 H new ATOM 0 HG CYS A 12 3.493 -9.801 6.388 1.00 0.00 H new ATOM 188 N GLU A 13 2.724 -5.696 8.599 1.00 0.00 N ATOM 189 CA GLU A 13 2.793 -5.593 10.083 1.00 0.00 C ATOM 190 C GLU A 13 1.482 -5.027 10.632 1.00 0.00 C ATOM 191 O GLU A 13 0.742 -5.704 11.317 1.00 0.00 O ATOM 192 CB GLU A 13 3.948 -4.636 10.362 1.00 0.00 C ATOM 193 CG GLU A 13 5.039 -5.366 11.148 1.00 0.00 C ATOM 194 CD GLU A 13 4.493 -5.781 12.515 1.00 0.00 C ATOM 195 OE1 GLU A 13 3.301 -5.625 12.727 1.00 0.00 O ATOM 196 OE2 GLU A 13 5.275 -6.248 13.327 1.00 0.00 O ATOM 0 H GLU A 13 3.485 -5.240 8.095 1.00 0.00 H new ATOM 0 HA GLU A 13 2.946 -6.562 10.558 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.353 -4.256 9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.592 -3.775 10.928 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.373 -6.245 10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.907 -4.719 11.273 1.00 0.00 H new ATOM 203 N ILE A 14 1.186 -3.791 10.333 1.00 0.00 N ATOM 204 CA ILE A 14 -0.084 -3.194 10.840 1.00 0.00 C ATOM 205 C ILE A 14 -1.267 -4.079 10.439 1.00 0.00 C ATOM 206 O ILE A 14 -1.850 -3.920 9.385 1.00 0.00 O ATOM 207 CB ILE A 14 -0.171 -1.820 10.178 1.00 0.00 C ATOM 208 CG1 ILE A 14 -0.072 -1.977 8.654 1.00 0.00 C ATOM 209 CG2 ILE A 14 0.978 -0.944 10.689 1.00 0.00 C ATOM 210 CD1 ILE A 14 0.321 -0.641 8.018 1.00 0.00 C ATOM 0 H ILE A 14 1.764 -3.172 9.764 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.106 -3.111 11.927 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.123 -1.350 10.425 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.666 -2.739 8.405 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.027 -2.315 8.251 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.922 0.039 10.221 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.899 -0.835 11.771 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.931 -1.411 10.440 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.390 -0.759 6.937 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.433 0.110 8.254 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.287 -0.321 8.410 1.00 0.00 H new ATOM 222 N GLU A 15 -1.610 -5.019 11.274 1.00 0.00 N ATOM 223 CA GLU A 15 -2.741 -5.943 10.962 1.00 0.00 C ATOM 224 C GLU A 15 -4.012 -5.165 10.601 1.00 0.00 C ATOM 225 O GLU A 15 -4.822 -5.625 9.823 1.00 0.00 O ATOM 226 CB GLU A 15 -2.955 -6.749 12.244 1.00 0.00 C ATOM 227 CG GLU A 15 -1.629 -7.373 12.683 1.00 0.00 C ATOM 228 CD GLU A 15 -1.143 -6.693 13.965 1.00 0.00 C ATOM 229 OE1 GLU A 15 -1.966 -6.106 14.648 1.00 0.00 O ATOM 230 OE2 GLU A 15 0.044 -6.769 14.240 1.00 0.00 O ATOM 0 H GLU A 15 -1.152 -5.190 12.169 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.517 -6.576 10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.343 -6.103 13.031 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.698 -7.529 12.076 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.757 -8.442 12.852 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.884 -7.262 11.895 1.00 0.00 H new ATOM 237 N ARG A 16 -4.203 -4.003 11.165 1.00 0.00 N ATOM 238 CA ARG A 16 -5.434 -3.212 10.855 1.00 0.00 C ATOM 239 C ARG A 16 -5.787 -3.315 9.367 1.00 0.00 C ATOM 240 O ARG A 16 -6.756 -3.947 8.992 1.00 0.00 O ATOM 241 CB ARG A 16 -5.082 -1.770 11.221 1.00 0.00 C ATOM 242 CG ARG A 16 -6.085 -1.244 12.250 1.00 0.00 C ATOM 243 CD ARG A 16 -5.366 -0.978 13.574 1.00 0.00 C ATOM 244 NE ARG A 16 -5.099 -2.327 14.146 1.00 0.00 N ATOM 245 CZ ARG A 16 -6.080 -3.038 14.631 1.00 0.00 C ATOM 246 NH1 ARG A 16 -6.874 -2.525 15.531 1.00 0.00 N ATOM 247 NH2 ARG A 16 -6.266 -4.261 14.216 1.00 0.00 N ATOM 0 H ARG A 16 -3.562 -3.566 11.827 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.300 -3.577 11.407 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.071 -1.723 11.626 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.098 -1.143 10.329 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.549 -0.328 11.886 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.885 -1.970 12.398 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.439 -0.426 13.416 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.983 -0.380 14.245 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.148 -2.696 14.159 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.728 -1.569 15.855 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.641 -3.080 15.910 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.645 -4.661 13.513 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.033 -4.817 14.595 1.00 0.00 H new ATOM 261 N ILE A 17 -5.012 -2.699 8.517 1.00 0.00 N ATOM 262 CA ILE A 17 -5.310 -2.765 7.057 1.00 0.00 C ATOM 263 C ILE A 17 -5.203 -4.210 6.558 1.00 0.00 C ATOM 264 O ILE A 17 -6.009 -4.666 5.771 1.00 0.00 O ATOM 265 CB ILE A 17 -4.246 -1.893 6.392 1.00 0.00 C ATOM 266 CG1 ILE A 17 -2.889 -2.587 6.483 1.00 0.00 C ATOM 267 CG2 ILE A 17 -4.165 -0.540 7.100 1.00 0.00 C ATOM 268 CD1 ILE A 17 -1.803 -1.622 6.012 1.00 0.00 C ATOM 0 H ILE A 17 -4.187 -2.154 8.769 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.319 -2.422 6.829 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.514 -1.740 5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.695 -2.900 7.509 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.885 -3.487 5.868 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.405 0.076 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.131 -0.038 7.038 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.902 -0.692 8.147 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.830 -2.110 6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.998 -1.331 4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.805 -0.735 6.646 1.00 0.00 H new ATOM 280 N HIS A 18 -4.212 -4.929 7.006 1.00 0.00 N ATOM 281 CA HIS A 18 -4.048 -6.342 6.556 1.00 0.00 C ATOM 282 C HIS A 18 -5.348 -7.127 6.771 1.00 0.00 C ATOM 283 O HIS A 18 -5.692 -7.998 5.997 1.00 0.00 O ATOM 284 CB HIS A 18 -2.925 -6.903 7.431 1.00 0.00 C ATOM 285 CG HIS A 18 -2.622 -8.318 7.021 1.00 0.00 C ATOM 286 ND1 HIS A 18 -1.334 -8.746 6.735 1.00 0.00 N ATOM 287 CD2 HIS A 18 -3.427 -9.416 6.851 1.00 0.00 C ATOM 288 CE1 HIS A 18 -1.403 -10.050 6.412 1.00 0.00 C ATOM 289 NE2 HIS A 18 -2.655 -10.509 6.468 1.00 0.00 N ATOM 0 H HIS A 18 -3.507 -4.600 7.665 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.814 -6.414 5.494 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.032 -6.286 7.333 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -3.219 -6.873 8.480 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.498 -9.430 6.993 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.549 -10.652 6.140 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.977 -11.457 6.272 1.00 0.00 H new ATOM 297 N PHE A 19 -6.073 -6.826 7.815 1.00 0.00 N ATOM 298 CA PHE A 19 -7.347 -7.556 8.076 1.00 0.00 C ATOM 299 C PHE A 19 -8.439 -7.082 7.108 1.00 0.00 C ATOM 300 O PHE A 19 -8.956 -7.847 6.319 1.00 0.00 O ATOM 301 CB PHE A 19 -7.712 -7.217 9.530 1.00 0.00 C ATOM 302 CG PHE A 19 -9.208 -7.322 9.722 1.00 0.00 C ATOM 303 CD1 PHE A 19 -9.905 -8.408 9.183 1.00 0.00 C ATOM 304 CD2 PHE A 19 -9.895 -6.327 10.427 1.00 0.00 C ATOM 305 CE1 PHE A 19 -11.291 -8.502 9.350 1.00 0.00 C ATOM 306 CE2 PHE A 19 -11.281 -6.421 10.592 1.00 0.00 C ATOM 307 CZ PHE A 19 -11.979 -7.508 10.054 1.00 0.00 C ATOM 0 H PHE A 19 -5.838 -6.106 8.498 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.247 -8.631 7.928 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.200 -7.897 10.211 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.375 -6.209 9.773 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.374 -9.174 8.638 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.356 -5.488 10.843 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.829 -9.342 8.936 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.813 -5.654 11.135 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.049 -7.580 10.182 1.00 0.00 H new ATOM 317 N PHE A 20 -8.801 -5.827 7.172 1.00 0.00 N ATOM 318 CA PHE A 20 -9.870 -5.309 6.263 1.00 0.00 C ATOM 319 C PHE A 20 -9.706 -5.881 4.850 1.00 0.00 C ATOM 320 O PHE A 20 -10.657 -5.981 4.100 1.00 0.00 O ATOM 321 CB PHE A 20 -9.680 -3.792 6.246 1.00 0.00 C ATOM 322 CG PHE A 20 -11.023 -3.114 6.393 1.00 0.00 C ATOM 323 CD1 PHE A 20 -11.778 -2.800 5.255 1.00 0.00 C ATOM 324 CD2 PHE A 20 -11.513 -2.797 7.666 1.00 0.00 C ATOM 325 CE1 PHE A 20 -13.021 -2.169 5.391 1.00 0.00 C ATOM 326 CE2 PHE A 20 -12.756 -2.168 7.802 1.00 0.00 C ATOM 327 CZ PHE A 20 -13.510 -1.853 6.665 1.00 0.00 C ATOM 0 H PHE A 20 -8.405 -5.139 7.812 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.865 -5.596 6.605 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.017 -3.489 7.056 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.206 -3.485 5.314 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.401 -3.045 4.273 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.931 -3.038 8.543 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.602 -1.926 4.514 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -13.134 -1.926 8.784 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.468 -1.366 6.770 1.00 0.00 H new ATOM 337 N LEU A 21 -8.511 -6.251 4.476 1.00 0.00 N ATOM 338 CA LEU A 21 -8.301 -6.808 3.106 1.00 0.00 C ATOM 339 C LEU A 21 -8.212 -8.337 3.152 1.00 0.00 C ATOM 340 O LEU A 21 -8.578 -9.013 2.212 1.00 0.00 O ATOM 341 CB LEU A 21 -6.978 -6.207 2.634 1.00 0.00 C ATOM 342 CG LEU A 21 -7.234 -4.821 2.046 1.00 0.00 C ATOM 343 CD1 LEU A 21 -6.280 -3.811 2.684 1.00 0.00 C ATOM 344 CD2 LEU A 21 -7.000 -4.858 0.534 1.00 0.00 C ATOM 0 H LEU A 21 -7.674 -6.193 5.056 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.125 -6.564 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.279 -6.137 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.518 -6.853 1.886 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.264 -4.526 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.463 -2.822 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.446 -3.784 3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.250 -4.106 2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.182 -3.869 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.970 -5.154 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.680 -5.577 0.078 1.00 0.00 H new ATOM 356 N SER A 22 -7.728 -8.885 4.233 1.00 0.00 N ATOM 357 CA SER A 22 -7.618 -10.370 4.328 1.00 0.00 C ATOM 358 C SER A 22 -8.878 -11.032 3.764 1.00 0.00 C ATOM 359 O SER A 22 -8.832 -12.125 3.233 1.00 0.00 O ATOM 360 CB SER A 22 -7.480 -10.663 5.822 1.00 0.00 C ATOM 361 OG SER A 22 -7.084 -12.016 6.000 1.00 0.00 O ATOM 0 H SER A 22 -7.405 -8.371 5.053 1.00 0.00 H new ATOM 0 HA SER A 22 -6.774 -10.758 3.758 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.744 -9.995 6.269 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.427 -10.479 6.329 1.00 0.00 H new ATOM 0 HG SER A 22 -6.993 -12.207 6.957 1.00 0.00 H new ATOM 367 N LYS A 23 -10.003 -10.380 3.875 1.00 0.00 N ATOM 368 CA LYS A 23 -11.266 -10.971 3.346 1.00 0.00 C ATOM 369 C LYS A 23 -11.095 -11.371 1.878 1.00 0.00 C ATOM 370 O LYS A 23 -11.836 -12.181 1.357 1.00 0.00 O ATOM 371 CB LYS A 23 -12.309 -9.861 3.479 1.00 0.00 C ATOM 372 CG LYS A 23 -12.634 -9.645 4.958 1.00 0.00 C ATOM 373 CD LYS A 23 -13.083 -8.199 5.176 1.00 0.00 C ATOM 374 CE LYS A 23 -13.259 -7.941 6.674 1.00 0.00 C ATOM 375 NZ LYS A 23 -14.331 -8.883 7.103 1.00 0.00 N ATOM 0 H LYS A 23 -10.103 -9.463 4.310 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.555 -11.872 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.932 -8.938 3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.213 -10.129 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.419 -10.332 5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.758 -9.861 5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.346 -7.511 4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.021 -8.015 4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.332 -8.124 7.218 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.543 -6.906 6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.791 -8.518 7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.037 -8.975 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.915 -9.815 7.303 1.00 0.00 H new ATOM 389 N LYS A 24 -10.127 -10.811 1.206 1.00 0.00 N ATOM 390 CA LYS A 24 -9.916 -11.165 -0.227 1.00 0.00 C ATOM 391 C LYS A 24 -11.130 -10.743 -1.061 1.00 0.00 C ATOM 392 O LYS A 24 -12.154 -11.397 -1.060 1.00 0.00 O ATOM 393 CB LYS A 24 -9.763 -12.687 -0.239 1.00 0.00 C ATOM 394 CG LYS A 24 -8.639 -13.081 -1.198 1.00 0.00 C ATOM 395 CD LYS A 24 -7.705 -14.077 -0.508 1.00 0.00 C ATOM 396 CE LYS A 24 -8.515 -15.272 -0.001 1.00 0.00 C ATOM 397 NZ LYS A 24 -8.128 -16.405 -0.889 1.00 0.00 N ATOM 0 H LYS A 24 -9.474 -10.125 1.586 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.047 -10.663 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.542 -13.048 0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.698 -13.154 -0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.057 -13.524 -2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.082 -12.196 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.937 -14.414 -1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.191 -13.594 0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.285 -15.491 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.586 -15.075 -0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.643 -17.262 -0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.365 -16.171 -1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.105 -16.574 -0.810 1.00 0.00 H new ATOM 411 N LYS A 25 -11.023 -9.653 -1.771 1.00 0.00 N ATOM 412 CA LYS A 25 -12.171 -9.190 -2.602 1.00 0.00 C ATOM 413 C LYS A 25 -11.931 -9.536 -4.075 1.00 0.00 C ATOM 414 O LYS A 25 -11.046 -10.297 -4.408 1.00 0.00 O ATOM 415 CB LYS A 25 -12.210 -7.673 -2.409 1.00 0.00 C ATOM 416 CG LYS A 25 -13.535 -7.273 -1.760 1.00 0.00 C ATOM 417 CD LYS A 25 -13.710 -8.034 -0.445 1.00 0.00 C ATOM 418 CE LYS A 25 -15.106 -8.658 -0.399 1.00 0.00 C ATOM 419 NZ LYS A 25 -15.191 -9.316 0.934 1.00 0.00 N ATOM 0 H LYS A 25 -10.191 -9.064 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.109 -9.664 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.376 -7.354 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.098 -7.171 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.552 -6.199 -1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.363 -7.494 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.950 -8.810 -0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.574 -7.358 0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.881 -7.900 -0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.242 -9.379 -1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.122 -9.767 1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.446 -10.037 1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.065 -8.604 1.681 1.00 0.00 H new ATOM 433 N THR A 26 -12.714 -8.979 -4.956 1.00 0.00 N ATOM 434 CA THR A 26 -12.533 -9.268 -6.407 1.00 0.00 C ATOM 435 C THR A 26 -12.352 -7.959 -7.178 1.00 0.00 C ATOM 436 O THR A 26 -11.358 -7.753 -7.844 1.00 0.00 O ATOM 437 CB THR A 26 -13.820 -9.974 -6.838 1.00 0.00 C ATOM 438 OG1 THR A 26 -13.904 -11.237 -6.190 1.00 0.00 O ATOM 439 CG2 THR A 26 -13.810 -10.176 -8.354 1.00 0.00 C ATOM 0 H THR A 26 -13.473 -8.335 -4.734 1.00 0.00 H new ATOM 0 HA THR A 26 -11.653 -9.881 -6.603 1.00 0.00 H new ATOM 0 HB THR A 26 -14.680 -9.365 -6.561 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.729 -11.691 -6.463 1.00 0.00 H new ATOM 0 HG21 THR A 26 -14.727 -10.679 -8.660 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.745 -9.207 -8.850 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.951 -10.786 -8.634 1.00 0.00 H new ATOM 447 N ASP A 27 -13.304 -7.070 -7.086 1.00 0.00 N ATOM 448 CA ASP A 27 -13.181 -5.772 -7.808 1.00 0.00 C ATOM 449 C ASP A 27 -12.026 -4.959 -7.219 1.00 0.00 C ATOM 450 O ASP A 27 -11.155 -4.495 -7.927 1.00 0.00 O ATOM 451 CB ASP A 27 -14.515 -5.058 -7.578 1.00 0.00 C ATOM 452 CG ASP A 27 -14.957 -4.374 -8.873 1.00 0.00 C ATOM 453 OD1 ASP A 27 -14.946 -5.031 -9.900 1.00 0.00 O ATOM 454 OD2 ASP A 27 -15.300 -3.204 -8.815 1.00 0.00 O ATOM 0 H ASP A 27 -14.160 -7.186 -6.543 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.973 -5.904 -8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.272 -5.773 -7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -14.413 -4.321 -6.781 1.00 0.00 H new ATOM 459 N GLU A 28 -12.006 -4.793 -5.924 1.00 0.00 N ATOM 460 CA GLU A 28 -10.902 -4.022 -5.288 1.00 0.00 C ATOM 461 C GLU A 28 -9.570 -4.719 -5.553 1.00 0.00 C ATOM 462 O GLU A 28 -8.653 -4.147 -6.109 1.00 0.00 O ATOM 463 CB GLU A 28 -11.219 -4.034 -3.792 1.00 0.00 C ATOM 464 CG GLU A 28 -11.753 -2.665 -3.370 1.00 0.00 C ATOM 465 CD GLU A 28 -13.253 -2.768 -3.087 1.00 0.00 C ATOM 466 OE1 GLU A 28 -13.667 -3.784 -2.553 1.00 0.00 O ATOM 467 OE2 GLU A 28 -13.962 -1.830 -3.409 1.00 0.00 O ATOM 0 H GLU A 28 -12.707 -5.159 -5.280 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.823 -3.007 -5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.956 -4.807 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.322 -4.277 -3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.227 -2.316 -2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.570 -1.933 -4.157 1.00 0.00 H new ATOM 474 N LEU A 29 -9.462 -5.956 -5.159 1.00 0.00 N ATOM 475 CA LEU A 29 -8.198 -6.707 -5.384 1.00 0.00 C ATOM 476 C LEU A 29 -7.753 -6.569 -6.842 1.00 0.00 C ATOM 477 O LEU A 29 -6.578 -6.610 -7.150 1.00 0.00 O ATOM 478 CB LEU A 29 -8.550 -8.159 -5.067 1.00 0.00 C ATOM 479 CG LEU A 29 -7.366 -8.835 -4.378 1.00 0.00 C ATOM 480 CD1 LEU A 29 -6.083 -8.541 -5.160 1.00 0.00 C ATOM 481 CD2 LEU A 29 -7.230 -8.293 -2.955 1.00 0.00 C ATOM 0 H LEU A 29 -10.199 -6.481 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.378 -6.338 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.429 -8.198 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.802 -8.691 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.531 -9.912 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.238 -9.023 -4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.180 -8.925 -6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.916 -7.464 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.386 -8.774 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.064 -7.216 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.143 -8.502 -2.397 1.00 0.00 H new ATOM 493 N ARG A 30 -8.685 -6.411 -7.741 1.00 0.00 N ATOM 494 CA ARG A 30 -8.315 -6.276 -9.179 1.00 0.00 C ATOM 495 C ARG A 30 -7.557 -4.966 -9.415 1.00 0.00 C ATOM 496 O ARG A 30 -6.366 -4.963 -9.652 1.00 0.00 O ATOM 497 CB ARG A 30 -9.646 -6.271 -9.933 1.00 0.00 C ATOM 498 CG ARG A 30 -9.953 -7.685 -10.432 1.00 0.00 C ATOM 499 CD ARG A 30 -11.055 -7.627 -11.492 1.00 0.00 C ATOM 500 NE ARG A 30 -10.730 -8.727 -12.442 1.00 0.00 N ATOM 501 CZ ARG A 30 -10.423 -8.450 -13.680 1.00 0.00 C ATOM 502 NH1 ARG A 30 -9.451 -7.618 -13.941 1.00 0.00 N ATOM 503 NH2 ARG A 30 -11.084 -9.008 -14.655 1.00 0.00 N ATOM 0 H ARG A 30 -9.685 -6.370 -7.543 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.661 -7.082 -9.512 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.446 -5.923 -9.279 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.598 -5.579 -10.774 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.054 -8.137 -10.852 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.268 -8.315 -9.600 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.040 -7.768 -11.046 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.068 -6.661 -11.996 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.747 -9.696 -12.125 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.932 -7.185 -13.177 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.211 -7.401 -14.908 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.841 -9.661 -14.450 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.845 -8.792 -15.623 1.00 0.00 H new ATOM 517 N ASN A 31 -8.239 -3.855 -9.357 1.00 0.00 N ATOM 518 CA ASN A 31 -7.555 -2.547 -9.586 1.00 0.00 C ATOM 519 C ASN A 31 -6.331 -2.409 -8.675 1.00 0.00 C ATOM 520 O ASN A 31 -5.337 -1.819 -9.046 1.00 0.00 O ATOM 521 CB ASN A 31 -8.602 -1.485 -9.243 1.00 0.00 C ATOM 522 CG ASN A 31 -9.309 -1.860 -7.939 1.00 0.00 C ATOM 523 OD1 ASN A 31 -10.449 -2.278 -7.952 1.00 0.00 O ATOM 524 ND2 ASN A 31 -8.678 -1.722 -6.805 1.00 0.00 N ATOM 0 H ASN A 31 -9.238 -3.794 -9.161 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.194 -2.451 -10.610 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.125 -0.510 -9.142 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.329 -1.403 -10.051 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.142 -1.965 -5.930 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.720 -1.371 -6.794 1.00 0.00 H new ATOM 531 N LEU A 32 -6.394 -2.941 -7.485 1.00 0.00 N ATOM 532 CA LEU A 32 -5.230 -2.828 -6.556 1.00 0.00 C ATOM 533 C LEU A 32 -4.072 -3.701 -7.045 1.00 0.00 C ATOM 534 O LEU A 32 -3.053 -3.210 -7.492 1.00 0.00 O ATOM 535 CB LEU A 32 -5.748 -3.335 -5.209 1.00 0.00 C ATOM 536 CG LEU A 32 -5.799 -2.178 -4.210 1.00 0.00 C ATOM 537 CD1 LEU A 32 -6.414 -2.662 -2.896 1.00 0.00 C ATOM 538 CD2 LEU A 32 -4.380 -1.668 -3.949 1.00 0.00 C ATOM 0 H LEU A 32 -7.198 -3.448 -7.115 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.853 -1.807 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.741 -3.768 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.099 -4.125 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.408 -1.372 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.450 -1.836 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.425 -3.027 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.807 -3.468 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.415 -0.843 -3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.773 -2.475 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.940 -1.322 -4.884 1.00 0.00 H new ATOM 550 N HIS A 33 -4.220 -4.993 -6.959 1.00 0.00 N ATOM 551 CA HIS A 33 -3.132 -5.908 -7.412 1.00 0.00 C ATOM 552 C HIS A 33 -2.768 -5.635 -8.874 1.00 0.00 C ATOM 553 O HIS A 33 -1.685 -5.957 -9.322 1.00 0.00 O ATOM 554 CB HIS A 33 -3.716 -7.314 -7.262 1.00 0.00 C ATOM 555 CG HIS A 33 -2.635 -8.267 -6.833 1.00 0.00 C ATOM 556 ND1 HIS A 33 -1.804 -8.898 -7.745 1.00 0.00 N ATOM 557 CD2 HIS A 33 -2.238 -8.709 -5.596 1.00 0.00 C ATOM 558 CE1 HIS A 33 -0.958 -9.678 -7.050 1.00 0.00 C ATOM 559 NE2 HIS A 33 -1.178 -9.601 -5.735 1.00 0.00 N ATOM 0 H HIS A 33 -5.051 -5.458 -6.593 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.218 -5.775 -6.833 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.521 -7.308 -6.528 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.149 -7.641 -8.207 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -1.830 -8.790 -8.759 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.681 -8.410 -4.657 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.193 -10.293 -7.501 1.00 0.00 H new ATOM 567 N LYS A 34 -3.664 -5.058 -9.628 1.00 0.00 N ATOM 568 CA LYS A 34 -3.363 -4.787 -11.062 1.00 0.00 C ATOM 569 C LYS A 34 -2.703 -3.418 -11.235 1.00 0.00 C ATOM 570 O LYS A 34 -1.925 -3.209 -12.144 1.00 0.00 O ATOM 571 CB LYS A 34 -4.718 -4.823 -11.769 1.00 0.00 C ATOM 572 CG LYS A 34 -4.541 -4.440 -13.240 1.00 0.00 C ATOM 573 CD LYS A 34 -5.092 -3.030 -13.468 1.00 0.00 C ATOM 574 CE LYS A 34 -3.931 -2.046 -13.627 1.00 0.00 C ATOM 575 NZ LYS A 34 -4.323 -1.164 -14.763 1.00 0.00 N ATOM 0 H LYS A 34 -4.589 -4.763 -9.314 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.666 -5.518 -11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.153 -5.819 -11.692 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.411 -4.135 -11.285 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.486 -4.479 -13.513 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.062 -5.154 -13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.721 -3.014 -14.358 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.721 -2.734 -12.628 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.775 -1.469 -12.715 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.998 -2.568 -13.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.574 -0.462 -14.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.457 -1.739 -15.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.211 -0.674 -14.532 1.00 0.00 H new ATOM 589 N LEU A 35 -3.006 -2.481 -10.383 1.00 0.00 N ATOM 590 CA LEU A 35 -2.385 -1.134 -10.523 1.00 0.00 C ATOM 591 C LEU A 35 -1.310 -0.929 -9.455 1.00 0.00 C ATOM 592 O LEU A 35 -0.161 -0.673 -9.756 1.00 0.00 O ATOM 593 CB LEU A 35 -3.526 -0.141 -10.321 1.00 0.00 C ATOM 594 CG LEU A 35 -2.975 1.278 -10.440 1.00 0.00 C ATOM 595 CD1 LEU A 35 -3.487 1.917 -11.732 1.00 0.00 C ATOM 596 CD2 LEU A 35 -3.441 2.105 -9.239 1.00 0.00 C ATOM 0 H LEU A 35 -3.652 -2.587 -9.601 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.901 -1.009 -11.492 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.305 -0.306 -11.065 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.983 -0.287 -9.342 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.886 1.247 -10.459 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.094 2.930 -11.817 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.156 1.326 -12.586 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.576 1.951 -11.714 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.049 3.119 -9.321 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.530 2.138 -9.220 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.076 1.648 -8.319 1.00 0.00 H new ATOM 608 N LEU A 36 -1.677 -1.040 -8.209 1.00 0.00 N ATOM 609 CA LEU A 36 -0.680 -0.849 -7.117 1.00 0.00 C ATOM 610 C LEU A 36 0.473 -1.841 -7.277 1.00 0.00 C ATOM 611 O LEU A 36 1.627 -1.464 -7.333 1.00 0.00 O ATOM 612 CB LEU A 36 -1.444 -1.113 -5.819 1.00 0.00 C ATOM 613 CG LEU A 36 -0.591 -0.669 -4.626 1.00 0.00 C ATOM 614 CD1 LEU A 36 -0.536 0.860 -4.572 1.00 0.00 C ATOM 615 CD2 LEU A 36 -1.209 -1.197 -3.329 1.00 0.00 C ATOM 0 H LEU A 36 -2.625 -1.255 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.244 0.150 -7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.390 -0.572 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.683 -2.173 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 36 0.418 -1.066 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.071 1.172 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.095 1.241 -5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.545 1.257 -4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.601 -0.881 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.219 -0.801 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.248 -2.286 -3.361 1.00 0.00 H new ATOM 627 N TYR A 37 0.173 -3.110 -7.340 1.00 0.00 N ATOM 628 CA TYR A 37 1.256 -4.121 -7.483 1.00 0.00 C ATOM 629 C TYR A 37 1.492 -4.459 -8.957 1.00 0.00 C ATOM 630 O TYR A 37 2.419 -5.170 -9.293 1.00 0.00 O ATOM 631 CB TYR A 37 0.748 -5.350 -6.731 1.00 0.00 C ATOM 632 CG TYR A 37 0.511 -4.994 -5.281 1.00 0.00 C ATOM 633 CD1 TYR A 37 1.559 -5.088 -4.357 1.00 0.00 C ATOM 634 CD2 TYR A 37 -0.755 -4.569 -4.863 1.00 0.00 C ATOM 635 CE1 TYR A 37 1.340 -4.757 -3.013 1.00 0.00 C ATOM 636 CE2 TYR A 37 -0.974 -4.238 -3.520 1.00 0.00 C ATOM 637 CZ TYR A 37 0.073 -4.332 -2.595 1.00 0.00 C ATOM 638 OH TYR A 37 -0.144 -4.003 -1.272 1.00 0.00 O ATOM 0 H TYR A 37 -0.773 -3.488 -7.299 1.00 0.00 H new ATOM 0 HA TYR A 37 2.206 -3.758 -7.090 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.176 -5.710 -7.184 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.474 -6.159 -6.803 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.536 -5.416 -4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.563 -4.496 -5.576 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.148 -4.830 -2.300 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.951 -3.910 -3.197 1.00 0.00 H new ATOM 0 HH TYR A 37 0.515 -4.461 -0.709 1.00 0.00 H new ATOM 648 N ASN A 38 0.664 -3.962 -9.839 1.00 0.00 N ATOM 649 CA ASN A 38 0.851 -4.271 -11.287 1.00 0.00 C ATOM 650 C ASN A 38 1.219 -5.747 -11.464 1.00 0.00 C ATOM 651 O ASN A 38 2.135 -6.087 -12.186 1.00 0.00 O ATOM 652 CB ASN A 38 2.005 -3.377 -11.741 1.00 0.00 C ATOM 653 CG ASN A 38 2.276 -3.612 -13.229 1.00 0.00 C ATOM 654 OD1 ASN A 38 1.480 -3.243 -14.069 1.00 0.00 O ATOM 655 ND2 ASN A 38 3.374 -4.217 -13.592 1.00 0.00 N ATOM 0 H ASN A 38 -0.129 -3.359 -9.621 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.054 -4.092 -11.867 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.759 -2.330 -11.566 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.900 -3.596 -11.158 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.564 -4.380 -14.581 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.043 -4.527 -12.887 1.00 0.00 H new ATOM 662 N ARG A 39 0.520 -6.625 -10.797 1.00 0.00 N ATOM 663 CA ARG A 39 0.843 -8.076 -10.916 1.00 0.00 C ATOM 664 C ARG A 39 -0.436 -8.911 -11.004 1.00 0.00 C ATOM 665 O ARG A 39 -1.522 -8.419 -10.766 1.00 0.00 O ATOM 666 CB ARG A 39 1.600 -8.409 -9.630 1.00 0.00 C ATOM 667 CG ARG A 39 2.999 -8.918 -9.975 1.00 0.00 C ATOM 668 CD ARG A 39 4.041 -7.961 -9.392 1.00 0.00 C ATOM 669 NE ARG A 39 5.354 -8.605 -9.671 1.00 0.00 N ATOM 670 CZ ARG A 39 6.021 -9.171 -8.704 1.00 0.00 C ATOM 671 NH1 ARG A 39 6.219 -8.530 -7.585 1.00 0.00 N ATOM 672 NH2 ARG A 39 6.489 -10.379 -8.856 1.00 0.00 N ATOM 0 H ARG A 39 -0.258 -6.402 -10.177 1.00 0.00 H new ATOM 0 HA ARG A 39 1.422 -8.294 -11.813 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.670 -7.524 -8.998 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.057 -9.164 -9.062 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.144 -9.921 -9.573 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.117 -8.988 -11.056 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.977 -6.977 -9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.891 -7.818 -8.322 1.00 0.00 H new ATOM 0 HE ARG A 39 5.732 -8.603 -10.618 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.852 -7.586 -7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.741 -8.973 -6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.333 -10.880 -9.731 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.011 -10.823 -8.100 1.00 0.00 H new ATOM 686 N PRO A 40 -0.254 -10.160 -11.337 1.00 0.00 N ATOM 687 CA PRO A 40 -1.398 -11.096 -11.450 1.00 0.00 C ATOM 688 C PRO A 40 -1.906 -11.476 -10.056 1.00 0.00 C ATOM 689 O PRO A 40 -1.234 -12.152 -9.303 1.00 0.00 O ATOM 690 CB PRO A 40 -0.800 -12.307 -12.161 1.00 0.00 C ATOM 691 CG PRO A 40 0.664 -12.256 -11.853 1.00 0.00 C ATOM 692 CD PRO A 40 1.026 -10.810 -11.638 1.00 0.00 C ATOM 0 HA PRO A 40 -2.251 -10.676 -11.984 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.246 -13.235 -11.803 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.979 -12.261 -13.235 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.891 -12.845 -10.964 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.244 -12.680 -12.673 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.734 -10.694 -10.817 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.492 -10.380 -12.524 1.00 0.00 H new ATOM 700 N GLY A 41 -3.084 -11.040 -9.705 1.00 0.00 N ATOM 701 CA GLY A 41 -3.631 -11.370 -8.358 1.00 0.00 C ATOM 702 C GLY A 41 -3.406 -12.852 -8.051 1.00 0.00 C ATOM 703 O GLY A 41 -4.072 -13.715 -8.587 1.00 0.00 O ATOM 0 H GLY A 41 -3.692 -10.469 -10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.147 -10.755 -7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.696 -11.140 -8.323 1.00 0.00 H new ATOM 707 N THR A 42 -2.478 -13.154 -7.183 1.00 0.00 N ATOM 708 CA THR A 42 -2.220 -14.579 -6.832 1.00 0.00 C ATOM 709 C THR A 42 -2.441 -14.786 -5.332 1.00 0.00 C ATOM 710 O THR A 42 -2.061 -13.963 -4.527 1.00 0.00 O ATOM 711 CB THR A 42 -0.755 -14.819 -7.201 1.00 0.00 C ATOM 712 OG1 THR A 42 -0.081 -13.572 -7.297 1.00 0.00 O ATOM 713 CG2 THR A 42 -0.679 -15.548 -8.544 1.00 0.00 C ATOM 0 H THR A 42 -1.888 -12.475 -6.702 1.00 0.00 H new ATOM 0 HA THR A 42 -2.884 -15.268 -7.354 1.00 0.00 H new ATOM 0 HB THR A 42 -0.281 -15.429 -6.432 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.379 -13.100 -8.103 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.365 -15.719 -8.807 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.195 -16.505 -8.468 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.152 -14.940 -9.315 1.00 0.00 H new ATOM 721 N VAL A 43 -3.063 -15.873 -4.955 1.00 0.00 N ATOM 722 CA VAL A 43 -3.321 -16.129 -3.504 1.00 0.00 C ATOM 723 C VAL A 43 -2.143 -15.649 -2.650 1.00 0.00 C ATOM 724 O VAL A 43 -2.322 -15.012 -1.627 1.00 0.00 O ATOM 725 CB VAL A 43 -3.482 -17.646 -3.393 1.00 0.00 C ATOM 726 CG1 VAL A 43 -4.688 -18.096 -4.221 1.00 0.00 C ATOM 727 CG2 VAL A 43 -2.220 -18.333 -3.920 1.00 0.00 C ATOM 0 H VAL A 43 -3.404 -16.596 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.201 -15.595 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.637 -17.917 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.801 -19.177 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.588 -17.608 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.534 -17.824 -5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.334 -19.414 -3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.066 -18.060 -4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.360 -18.015 -3.331 1.00 0.00 H new ATOM 737 N SER A 44 -0.939 -15.939 -3.067 1.00 0.00 N ATOM 738 CA SER A 44 0.251 -15.496 -2.283 1.00 0.00 C ATOM 739 C SER A 44 0.431 -13.983 -2.416 1.00 0.00 C ATOM 740 O SER A 44 0.660 -13.287 -1.447 1.00 0.00 O ATOM 741 CB SER A 44 1.432 -16.237 -2.906 1.00 0.00 C ATOM 742 OG SER A 44 2.529 -16.216 -2.002 1.00 0.00 O ATOM 0 H SER A 44 -0.728 -16.463 -3.916 1.00 0.00 H new ATOM 0 HA SER A 44 0.153 -15.712 -1.219 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.152 -17.266 -3.132 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.714 -15.768 -3.849 1.00 0.00 H new ATOM 0 HG SER A 44 3.288 -16.692 -2.398 1.00 0.00 H new ATOM 748 N SER A 45 0.310 -13.468 -3.607 1.00 0.00 N ATOM 749 CA SER A 45 0.454 -11.999 -3.803 1.00 0.00 C ATOM 750 C SER A 45 -0.796 -11.311 -3.264 1.00 0.00 C ATOM 751 O SER A 45 -0.734 -10.495 -2.367 1.00 0.00 O ATOM 752 CB SER A 45 0.569 -11.807 -5.314 1.00 0.00 C ATOM 753 OG SER A 45 1.327 -10.635 -5.583 1.00 0.00 O ATOM 0 H SER A 45 0.117 -14.002 -4.455 1.00 0.00 H new ATOM 0 HA SER A 45 1.317 -11.579 -3.286 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.048 -12.675 -5.767 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.423 -11.722 -5.758 1.00 0.00 H new ATOM 0 HG SER A 45 1.539 -10.595 -6.539 1.00 0.00 H new ATOM 759 N LEU A 46 -1.929 -11.662 -3.811 1.00 0.00 N ATOM 760 CA LEU A 46 -3.223 -11.079 -3.357 1.00 0.00 C ATOM 761 C LEU A 46 -3.172 -10.752 -1.862 1.00 0.00 C ATOM 762 O LEU A 46 -3.299 -9.613 -1.458 1.00 0.00 O ATOM 763 CB LEU A 46 -4.233 -12.196 -3.614 1.00 0.00 C ATOM 764 CG LEU A 46 -4.528 -12.291 -5.113 1.00 0.00 C ATOM 765 CD1 LEU A 46 -5.018 -13.700 -5.449 1.00 0.00 C ATOM 766 CD2 LEU A 46 -5.612 -11.282 -5.481 1.00 0.00 C ATOM 0 H LEU A 46 -2.012 -12.341 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.469 -10.150 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.840 -13.145 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.154 -12.000 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.619 -12.076 -5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.228 -13.767 -6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.249 -14.426 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.927 -13.913 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.823 -11.348 -6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.519 -11.500 -4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.269 -10.276 -5.241 1.00 0.00 H new ATOM 778 N LYS A 47 -2.985 -11.747 -1.040 1.00 0.00 N ATOM 779 CA LYS A 47 -2.925 -11.504 0.430 1.00 0.00 C ATOM 780 C LYS A 47 -1.649 -10.742 0.804 1.00 0.00 C ATOM 781 O LYS A 47 -1.684 -9.574 1.135 1.00 0.00 O ATOM 782 CB LYS A 47 -2.911 -12.897 1.057 1.00 0.00 C ATOM 783 CG LYS A 47 -4.250 -13.586 0.792 1.00 0.00 C ATOM 784 CD LYS A 47 -4.392 -14.785 1.729 1.00 0.00 C ATOM 785 CE LYS A 47 -5.116 -14.355 3.006 1.00 0.00 C ATOM 786 NZ LYS A 47 -4.286 -14.894 4.118 1.00 0.00 N ATOM 0 H LYS A 47 -2.871 -12.720 -1.323 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.763 -10.900 0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.096 -13.488 0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.733 -12.823 2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.070 -12.886 0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.306 -13.912 -0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.948 -15.582 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.409 -15.186 1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.200 -13.270 3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.129 -14.755 3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.719 -14.640 5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.229 -15.929 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.329 -14.490 4.064 1.00 0.00 H new ATOM 800 N LYS A 48 -0.523 -11.404 0.767 1.00 0.00 N ATOM 801 CA LYS A 48 0.760 -10.733 1.135 1.00 0.00 C ATOM 802 C LYS A 48 0.935 -9.415 0.372 1.00 0.00 C ATOM 803 O LYS A 48 0.941 -8.349 0.955 1.00 0.00 O ATOM 804 CB LYS A 48 1.852 -11.728 0.738 1.00 0.00 C ATOM 805 CG LYS A 48 3.079 -11.524 1.630 1.00 0.00 C ATOM 806 CD LYS A 48 2.870 -12.246 2.963 1.00 0.00 C ATOM 807 CE LYS A 48 3.911 -13.357 3.114 1.00 0.00 C ATOM 808 NZ LYS A 48 4.100 -13.510 4.584 1.00 0.00 N ATOM 0 H LYS A 48 -0.436 -12.384 0.497 1.00 0.00 H new ATOM 0 HA LYS A 48 0.793 -10.480 2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.482 -12.749 0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.123 -11.588 -0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.970 -11.907 1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.243 -10.460 1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.956 -11.539 3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.865 -12.667 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.565 -14.286 2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.846 -13.091 2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.801 -14.256 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.436 -12.612 4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.195 -13.770 5.025 1.00 0.00 H new ATOM 822 N ASN A 49 1.095 -9.480 -0.924 1.00 0.00 N ATOM 823 CA ASN A 49 1.288 -8.230 -1.721 1.00 0.00 C ATOM 824 C ASN A 49 0.370 -7.113 -1.212 1.00 0.00 C ATOM 825 O ASN A 49 0.829 -6.075 -0.778 1.00 0.00 O ATOM 826 CB ASN A 49 0.932 -8.611 -3.158 1.00 0.00 C ATOM 827 CG ASN A 49 1.941 -7.977 -4.116 1.00 0.00 C ATOM 828 OD1 ASN A 49 2.964 -7.475 -3.693 1.00 0.00 O ATOM 829 ND2 ASN A 49 1.696 -7.977 -5.396 1.00 0.00 N ATOM 0 H ASN A 49 1.101 -10.344 -1.466 1.00 0.00 H new ATOM 0 HA ASN A 49 2.307 -7.852 -1.642 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.938 -9.695 -3.271 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.076 -8.272 -3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.363 -7.556 -6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.838 -8.398 -5.751 1.00 0.00 H new ATOM 836 N VAL A 50 -0.919 -7.311 -1.259 1.00 0.00 N ATOM 837 CA VAL A 50 -1.845 -6.248 -0.774 1.00 0.00 C ATOM 838 C VAL A 50 -1.339 -5.689 0.561 1.00 0.00 C ATOM 839 O VAL A 50 -1.488 -4.520 0.852 1.00 0.00 O ATOM 840 CB VAL A 50 -3.198 -6.946 -0.600 1.00 0.00 C ATOM 841 CG1 VAL A 50 -4.073 -6.150 0.374 1.00 0.00 C ATOM 842 CG2 VAL A 50 -3.903 -7.031 -1.957 1.00 0.00 C ATOM 0 H VAL A 50 -1.369 -8.157 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.916 -5.407 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.036 -7.948 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.033 -6.651 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.575 -6.085 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.234 -5.146 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.866 -7.527 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.059 -6.026 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.286 -7.600 -2.652 1.00 0.00 H new ATOM 852 N GLY A 51 -0.739 -6.518 1.370 1.00 0.00 N ATOM 853 CA GLY A 51 -0.222 -6.037 2.681 1.00 0.00 C ATOM 854 C GLY A 51 1.305 -5.983 2.637 1.00 0.00 C ATOM 855 O GLY A 51 1.964 -5.951 3.657 1.00 0.00 O ATOM 0 H GLY A 51 -0.585 -7.508 1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.625 -5.049 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.550 -6.702 3.480 1.00 0.00 H new ATOM 859 N GLN A 52 1.872 -5.970 1.464 1.00 0.00 N ATOM 860 CA GLN A 52 3.358 -5.916 1.357 1.00 0.00 C ATOM 861 C GLN A 52 3.765 -5.346 -0.004 1.00 0.00 C ATOM 862 O GLN A 52 4.241 -6.056 -0.869 1.00 0.00 O ATOM 863 CB GLN A 52 3.820 -7.367 1.498 1.00 0.00 C ATOM 864 CG GLN A 52 4.553 -7.543 2.830 1.00 0.00 C ATOM 865 CD GLN A 52 5.957 -6.945 2.726 1.00 0.00 C ATOM 866 OE1 GLN A 52 6.898 -7.630 2.376 1.00 0.00 O ATOM 867 NE2 GLN A 52 6.141 -5.686 3.017 1.00 0.00 N ATOM 0 H GLN A 52 1.373 -5.994 0.575 1.00 0.00 H new ATOM 0 HA GLN A 52 3.807 -5.275 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.963 -8.039 1.451 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.478 -7.632 0.671 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.997 -7.054 3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.615 -8.601 3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.352 -5.110 3.311 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.074 -5.278 2.951 1.00 0.00 H new ATOM 876 N PHE A 53 3.579 -4.070 -0.202 1.00 0.00 N ATOM 877 CA PHE A 53 3.955 -3.456 -1.509 1.00 0.00 C ATOM 878 C PHE A 53 5.340 -2.810 -1.421 1.00 0.00 C ATOM 879 O PHE A 53 6.248 -3.165 -2.146 1.00 0.00 O ATOM 880 CB PHE A 53 2.887 -2.395 -1.773 1.00 0.00 C ATOM 881 CG PHE A 53 3.099 -1.805 -3.146 1.00 0.00 C ATOM 882 CD1 PHE A 53 3.421 -2.640 -4.221 1.00 0.00 C ATOM 883 CD2 PHE A 53 2.976 -0.424 -3.342 1.00 0.00 C ATOM 884 CE1 PHE A 53 3.621 -2.094 -5.494 1.00 0.00 C ATOM 885 CE2 PHE A 53 3.175 0.121 -4.616 1.00 0.00 C ATOM 886 CZ PHE A 53 3.498 -0.714 -5.692 1.00 0.00 C ATOM 0 H PHE A 53 3.184 -3.426 0.483 1.00 0.00 H new ATOM 0 HA PHE A 53 4.003 -4.196 -2.308 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.893 -2.838 -1.704 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.940 -1.612 -1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.515 -3.705 -4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.728 0.220 -2.511 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.870 -2.738 -6.324 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.079 1.186 -4.769 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.652 -0.293 -6.675 1.00 0.00 H new ATOM 896 N SER A 54 5.510 -1.859 -0.542 1.00 0.00 N ATOM 897 CA SER A 54 6.839 -1.193 -0.415 1.00 0.00 C ATOM 898 C SER A 54 7.042 -0.677 1.012 1.00 0.00 C ATOM 899 O SER A 54 7.541 -1.378 1.870 1.00 0.00 O ATOM 900 CB SER A 54 6.797 -0.030 -1.407 1.00 0.00 C ATOM 901 OG SER A 54 7.990 0.734 -1.286 1.00 0.00 O ATOM 0 H SER A 54 4.789 -1.515 0.092 1.00 0.00 H new ATOM 0 HA SER A 54 7.663 -1.876 -0.623 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.695 -0.408 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.928 0.598 -1.212 1.00 0.00 H new ATOM 0 HG SER A 54 7.967 1.479 -1.922 1.00 0.00 H new ATOM 907 N GLY A 55 6.664 0.545 1.275 1.00 0.00 N ATOM 908 CA GLY A 55 6.842 1.099 2.647 1.00 0.00 C ATOM 909 C GLY A 55 5.780 2.168 2.916 1.00 0.00 C ATOM 910 O GLY A 55 6.087 3.264 3.339 1.00 0.00 O ATOM 0 H GLY A 55 6.241 1.182 0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.762 0.301 3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.838 1.529 2.749 1.00 0.00 H new ATOM 914 N PHE A 56 4.535 1.856 2.675 1.00 0.00 N ATOM 915 CA PHE A 56 3.450 2.850 2.917 1.00 0.00 C ATOM 916 C PHE A 56 3.713 3.647 4.201 1.00 0.00 C ATOM 917 O PHE A 56 3.703 4.862 4.185 1.00 0.00 O ATOM 918 CB PHE A 56 2.179 2.008 3.050 1.00 0.00 C ATOM 919 CG PHE A 56 1.537 1.851 1.692 1.00 0.00 C ATOM 920 CD1 PHE A 56 2.324 1.909 0.535 1.00 0.00 C ATOM 921 CD2 PHE A 56 0.157 1.644 1.589 1.00 0.00 C ATOM 922 CE1 PHE A 56 1.731 1.760 -0.722 1.00 0.00 C ATOM 923 CE2 PHE A 56 -0.437 1.496 0.330 1.00 0.00 C ATOM 924 CZ PHE A 56 0.352 1.555 -0.825 1.00 0.00 C ATOM 0 H PHE A 56 4.222 0.953 2.320 1.00 0.00 H new ATOM 0 HA PHE A 56 3.378 3.584 2.115 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.420 1.030 3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.484 2.486 3.740 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.389 2.069 0.614 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.450 1.598 2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.338 1.803 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.502 1.337 0.250 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.105 1.442 -1.797 1.00 0.00 H new ATOM 934 N PRO A 57 3.938 2.938 5.274 1.00 0.00 N ATOM 935 CA PRO A 57 4.203 3.595 6.578 1.00 0.00 C ATOM 936 C PRO A 57 5.624 4.179 6.620 1.00 0.00 C ATOM 937 O PRO A 57 6.366 3.954 7.556 1.00 0.00 O ATOM 938 CB PRO A 57 4.058 2.455 7.585 1.00 0.00 C ATOM 939 CG PRO A 57 4.348 1.213 6.808 1.00 0.00 C ATOM 940 CD PRO A 57 3.962 1.475 5.377 1.00 0.00 C ATOM 0 HA PRO A 57 3.531 4.430 6.777 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.753 2.572 8.416 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.055 2.429 8.010 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.404 0.954 6.879 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.785 0.370 7.209 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.681 1.039 4.684 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.989 1.043 5.141 1.00 0.00 H new ATOM 948 N PHE A 58 6.012 4.926 5.618 1.00 0.00 N ATOM 949 CA PHE A 58 7.389 5.514 5.620 1.00 0.00 C ATOM 950 C PHE A 58 7.381 6.936 6.202 1.00 0.00 C ATOM 951 O PHE A 58 6.767 7.192 7.220 1.00 0.00 O ATOM 952 CB PHE A 58 7.837 5.512 4.153 1.00 0.00 C ATOM 953 CG PHE A 58 7.047 6.509 3.324 1.00 0.00 C ATOM 954 CD1 PHE A 58 5.895 7.131 3.835 1.00 0.00 C ATOM 955 CD2 PHE A 58 7.478 6.808 2.025 1.00 0.00 C ATOM 956 CE1 PHE A 58 5.185 8.043 3.044 1.00 0.00 C ATOM 957 CE2 PHE A 58 6.766 7.720 1.238 1.00 0.00 C ATOM 958 CZ PHE A 58 5.620 8.337 1.748 1.00 0.00 C ATOM 0 H PHE A 58 5.441 5.154 4.804 1.00 0.00 H new ATOM 0 HA PHE A 58 8.073 4.940 6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.899 5.752 4.096 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.713 4.513 3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.558 6.906 4.836 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.363 6.333 1.629 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.299 8.520 3.436 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.102 7.947 0.237 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.070 9.041 1.141 1.00 0.00 H new ATOM 968 N GLU A 59 8.062 7.861 5.576 1.00 0.00 N ATOM 969 CA GLU A 59 8.092 9.255 6.112 1.00 0.00 C ATOM 970 C GLU A 59 7.385 10.219 5.155 1.00 0.00 C ATOM 971 O GLU A 59 6.907 9.834 4.106 1.00 0.00 O ATOM 972 CB GLU A 59 9.576 9.611 6.207 1.00 0.00 C ATOM 973 CG GLU A 59 10.097 9.275 7.606 1.00 0.00 C ATOM 974 CD GLU A 59 11.563 8.846 7.514 1.00 0.00 C ATOM 975 OE1 GLU A 59 12.332 9.563 6.895 1.00 0.00 O ATOM 976 OE2 GLU A 59 11.892 7.808 8.065 1.00 0.00 O ATOM 0 H GLU A 59 8.597 7.712 4.720 1.00 0.00 H new ATOM 0 HA GLU A 59 7.582 9.329 7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.141 9.060 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.720 10.671 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.001 10.142 8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.500 8.476 8.046 1.00 0.00 H new ATOM 983 N LYS A 60 7.323 11.475 5.511 1.00 0.00 N ATOM 984 CA LYS A 60 6.658 12.474 4.625 1.00 0.00 C ATOM 985 C LYS A 60 7.528 13.732 4.510 1.00 0.00 C ATOM 986 O LYS A 60 8.706 13.713 4.810 1.00 0.00 O ATOM 987 CB LYS A 60 5.323 12.792 5.312 1.00 0.00 C ATOM 988 CG LYS A 60 5.545 13.803 6.443 1.00 0.00 C ATOM 989 CD LYS A 60 4.398 13.707 7.447 1.00 0.00 C ATOM 990 CE LYS A 60 4.972 13.542 8.856 1.00 0.00 C ATOM 991 NZ LYS A 60 5.045 14.925 9.405 1.00 0.00 N ATOM 0 H LYS A 60 7.705 11.852 6.378 1.00 0.00 H new ATOM 0 HA LYS A 60 6.508 12.099 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.617 13.195 4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.883 11.878 5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.495 13.605 6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.602 14.813 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.779 14.603 7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.755 12.861 7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.334 12.906 9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.957 13.075 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.430 14.895 10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.664 15.505 8.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.092 15.341 9.425 1.00 0.00 H new ATOM 1005 N GLY A 61 6.955 14.824 4.084 1.00 0.00 N ATOM 1006 CA GLY A 61 7.745 16.083 3.958 1.00 0.00 C ATOM 1007 C GLY A 61 8.930 15.870 3.011 1.00 0.00 C ATOM 1008 O GLY A 61 9.838 16.674 2.953 1.00 0.00 O ATOM 0 H GLY A 61 5.973 14.900 3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.109 16.884 3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.105 16.395 4.938 1.00 0.00 H new ATOM 1012 N SER A 62 8.933 14.797 2.268 1.00 0.00 N ATOM 1013 CA SER A 62 10.067 14.547 1.331 1.00 0.00 C ATOM 1014 C SER A 62 9.599 14.686 -0.122 1.00 0.00 C ATOM 1015 O SER A 62 8.433 14.539 -0.427 1.00 0.00 O ATOM 1016 CB SER A 62 10.508 13.112 1.616 1.00 0.00 C ATOM 1017 OG SER A 62 11.848 12.936 1.178 1.00 0.00 O ATOM 0 H SER A 62 8.203 14.085 2.268 1.00 0.00 H new ATOM 0 HA SER A 62 10.880 15.260 1.471 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.431 12.901 2.683 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.851 12.409 1.104 1.00 0.00 H new ATOM 0 HG SER A 62 12.134 12.017 1.361 1.00 0.00 H new ATOM 1023 N VAL A 63 10.500 14.967 -1.021 1.00 0.00 N ATOM 1024 CA VAL A 63 10.102 15.112 -2.452 1.00 0.00 C ATOM 1025 C VAL A 63 9.143 13.985 -2.846 1.00 0.00 C ATOM 1026 O VAL A 63 8.131 14.212 -3.480 1.00 0.00 O ATOM 1027 CB VAL A 63 11.405 15.014 -3.247 1.00 0.00 C ATOM 1028 CG1 VAL A 63 12.307 16.201 -2.902 1.00 0.00 C ATOM 1029 CG2 VAL A 63 12.126 13.709 -2.898 1.00 0.00 C ATOM 0 H VAL A 63 11.493 15.103 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 63 9.586 16.053 -2.643 1.00 0.00 H new ATOM 0 HB VAL A 63 11.177 15.028 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 63 13.235 16.130 -3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.798 17.131 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.532 16.189 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.054 13.643 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 63 12.352 13.692 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.487 12.862 -3.147 1.00 0.00 H new ATOM 1039 N GLN A 64 9.451 12.773 -2.477 1.00 0.00 N ATOM 1040 CA GLN A 64 8.555 11.636 -2.832 1.00 0.00 C ATOM 1041 C GLN A 64 7.183 11.823 -2.180 1.00 0.00 C ATOM 1042 O GLN A 64 6.161 11.519 -2.764 1.00 0.00 O ATOM 1043 CB GLN A 64 9.251 10.394 -2.273 1.00 0.00 C ATOM 1044 CG GLN A 64 9.123 10.380 -0.748 1.00 0.00 C ATOM 1045 CD GLN A 64 10.040 9.301 -0.170 1.00 0.00 C ATOM 1046 OE1 GLN A 64 9.576 8.315 0.367 1.00 0.00 O ATOM 1047 NE2 GLN A 64 11.334 9.447 -0.258 1.00 0.00 N ATOM 0 H GLN A 64 10.284 12.520 -1.945 1.00 0.00 H new ATOM 0 HA GLN A 64 8.388 11.560 -3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.805 9.493 -2.694 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.302 10.393 -2.560 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.390 11.355 -0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.090 10.186 -0.461 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.724 10.275 -0.709 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.955 8.734 0.124 1.00 0.00 H new ATOM 1056 N TYR A 65 7.152 12.325 -0.976 1.00 0.00 N ATOM 1057 CA TYR A 65 5.846 12.535 -0.289 1.00 0.00 C ATOM 1058 C TYR A 65 4.967 13.478 -1.118 1.00 0.00 C ATOM 1059 O TYR A 65 3.869 13.131 -1.509 1.00 0.00 O ATOM 1060 CB TYR A 65 6.209 13.157 1.062 1.00 0.00 C ATOM 1061 CG TYR A 65 5.015 13.881 1.637 1.00 0.00 C ATOM 1062 CD1 TYR A 65 4.029 13.170 2.331 1.00 0.00 C ATOM 1063 CD2 TYR A 65 4.899 15.266 1.480 1.00 0.00 C ATOM 1064 CE1 TYR A 65 2.925 13.845 2.865 1.00 0.00 C ATOM 1065 CE2 TYR A 65 3.797 15.941 2.014 1.00 0.00 C ATOM 1066 CZ TYR A 65 2.810 15.232 2.707 1.00 0.00 C ATOM 1067 OH TYR A 65 1.722 15.898 3.235 1.00 0.00 O ATOM 0 H TYR A 65 7.974 12.599 -0.438 1.00 0.00 H new ATOM 0 HA TYR A 65 5.280 11.612 -0.164 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.540 12.380 1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.041 13.851 0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.120 12.101 2.454 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.661 15.814 0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.163 13.297 3.398 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.708 17.010 1.891 1.00 0.00 H new ATOM 0 HH TYR A 65 1.797 16.855 3.037 1.00 0.00 H new ATOM 1077 N LYS A 66 5.440 14.663 -1.398 1.00 0.00 N ATOM 1078 CA LYS A 66 4.624 15.610 -2.213 1.00 0.00 C ATOM 1079 C LYS A 66 4.098 14.888 -3.454 1.00 0.00 C ATOM 1080 O LYS A 66 2.927 14.953 -3.783 1.00 0.00 O ATOM 1081 CB LYS A 66 5.586 16.731 -2.608 1.00 0.00 C ATOM 1082 CG LYS A 66 5.436 17.901 -1.634 1.00 0.00 C ATOM 1083 CD LYS A 66 6.816 18.335 -1.141 1.00 0.00 C ATOM 1084 CE LYS A 66 7.257 19.594 -1.893 1.00 0.00 C ATOM 1085 NZ LYS A 66 6.530 20.713 -1.230 1.00 0.00 N ATOM 0 H LYS A 66 6.350 15.015 -1.100 1.00 0.00 H new ATOM 0 HA LYS A 66 3.762 15.997 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.612 16.364 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.377 17.062 -3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.935 18.735 -2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.812 17.607 -0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.785 18.531 -0.069 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.538 17.534 -1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.336 19.733 -1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.004 19.531 -2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.116 21.335 -1.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.773 20.328 -0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.193 21.258 -0.643 1.00 0.00 H new ATOM 1099 N LYS A 67 4.956 14.186 -4.139 1.00 0.00 N ATOM 1100 CA LYS A 67 4.509 13.446 -5.349 1.00 0.00 C ATOM 1101 C LYS A 67 3.245 12.654 -5.018 1.00 0.00 C ATOM 1102 O LYS A 67 2.198 12.857 -5.601 1.00 0.00 O ATOM 1103 CB LYS A 67 5.662 12.502 -5.691 1.00 0.00 C ATOM 1104 CG LYS A 67 6.182 12.820 -7.093 1.00 0.00 C ATOM 1105 CD LYS A 67 7.263 13.897 -7.004 1.00 0.00 C ATOM 1106 CE LYS A 67 8.143 13.845 -8.255 1.00 0.00 C ATOM 1107 NZ LYS A 67 7.190 13.903 -9.398 1.00 0.00 N ATOM 0 H LYS A 67 5.946 14.093 -3.913 1.00 0.00 H new ATOM 0 HA LYS A 67 4.274 14.106 -6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.464 12.611 -4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.325 11.467 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.588 11.920 -7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.364 13.162 -7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.804 14.881 -6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.871 13.743 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.842 14.681 -8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.737 12.932 -8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.669 14.305 -10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.857 12.943 -9.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.378 14.501 -9.143 1.00 0.00 H new ATOM 1121 N LYS A 68 3.337 11.754 -4.080 1.00 0.00 N ATOM 1122 CA LYS A 68 2.149 10.950 -3.700 1.00 0.00 C ATOM 1123 C LYS A 68 0.916 11.850 -3.587 1.00 0.00 C ATOM 1124 O LYS A 68 -0.085 11.614 -4.220 1.00 0.00 O ATOM 1125 CB LYS A 68 2.512 10.345 -2.342 1.00 0.00 C ATOM 1126 CG LYS A 68 3.148 8.970 -2.557 1.00 0.00 C ATOM 1127 CD LYS A 68 3.474 8.339 -1.202 1.00 0.00 C ATOM 1128 CE LYS A 68 3.833 6.864 -1.402 1.00 0.00 C ATOM 1129 NZ LYS A 68 2.533 6.171 -1.634 1.00 0.00 N ATOM 0 H LYS A 68 4.188 11.542 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 68 1.907 10.183 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.204 11.000 -1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.621 10.254 -1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.468 8.327 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.056 9.067 -3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.305 8.867 -0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.620 8.429 -0.531 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.505 6.734 -2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.343 6.461 -0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.546 5.242 -1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.759 6.745 -1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.386 6.042 -2.655 1.00 0.00 H new ATOM 1143 N GLU A 69 0.984 12.879 -2.789 1.00 0.00 N ATOM 1144 CA GLU A 69 -0.191 13.791 -2.639 1.00 0.00 C ATOM 1145 C GLU A 69 -0.889 14.013 -3.988 1.00 0.00 C ATOM 1146 O GLU A 69 -2.101 14.006 -4.076 1.00 0.00 O ATOM 1147 CB GLU A 69 0.387 15.105 -2.117 1.00 0.00 C ATOM 1148 CG GLU A 69 -0.716 16.165 -2.074 1.00 0.00 C ATOM 1149 CD GLU A 69 -0.673 16.894 -0.730 1.00 0.00 C ATOM 1150 OE1 GLU A 69 0.402 16.983 -0.162 1.00 0.00 O ATOM 1151 OE2 GLU A 69 -1.717 17.348 -0.293 1.00 0.00 O ATOM 0 H GLU A 69 1.801 13.130 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.940 13.374 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.806 14.960 -1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.201 15.438 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.583 16.876 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.690 15.697 -2.215 1.00 0.00 H new ATOM 1158 N GLU A 70 -0.138 14.223 -5.036 1.00 0.00 N ATOM 1159 CA GLU A 70 -0.771 14.459 -6.371 1.00 0.00 C ATOM 1160 C GLU A 70 -1.300 13.151 -6.978 1.00 0.00 C ATOM 1161 O GLU A 70 -2.491 12.986 -7.192 1.00 0.00 O ATOM 1162 CB GLU A 70 0.348 15.038 -7.237 1.00 0.00 C ATOM 1163 CG GLU A 70 0.120 16.540 -7.426 1.00 0.00 C ATOM 1164 CD GLU A 70 -1.002 16.763 -8.443 1.00 0.00 C ATOM 1165 OE1 GLU A 70 -1.507 15.782 -8.963 1.00 0.00 O ATOM 1166 OE2 GLU A 70 -1.335 17.912 -8.685 1.00 0.00 O ATOM 0 H GLU A 70 0.882 14.242 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.629 15.127 -6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.315 14.862 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.369 14.538 -8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.141 17.001 -6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.037 17.017 -7.770 1.00 0.00 H new ATOM 1173 N MET A 71 -0.428 12.222 -7.270 1.00 0.00 N ATOM 1174 CA MET A 71 -0.888 10.937 -7.872 1.00 0.00 C ATOM 1175 C MET A 71 -1.997 10.328 -7.014 1.00 0.00 C ATOM 1176 O MET A 71 -2.984 9.829 -7.517 1.00 0.00 O ATOM 1177 CB MET A 71 0.348 10.035 -7.879 1.00 0.00 C ATOM 1178 CG MET A 71 1.436 10.664 -8.751 1.00 0.00 C ATOM 1179 SD MET A 71 1.576 9.744 -10.303 1.00 0.00 S ATOM 1180 CE MET A 71 3.052 10.581 -10.932 1.00 0.00 C ATOM 0 H MET A 71 0.578 12.297 -7.118 1.00 0.00 H new ATOM 0 HA MET A 71 -1.296 11.069 -8.874 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.716 9.898 -6.862 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.088 9.047 -8.260 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.195 11.707 -8.955 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.390 10.655 -8.223 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.322 10.162 -11.901 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.848 11.646 -11.041 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.876 10.439 -10.233 1.00 0.00 H new ATOM 1190 N LEU A 72 -1.848 10.378 -5.720 1.00 0.00 N ATOM 1191 CA LEU A 72 -2.899 9.815 -4.830 1.00 0.00 C ATOM 1192 C LEU A 72 -4.158 10.671 -4.915 1.00 0.00 C ATOM 1193 O LEU A 72 -5.236 10.210 -4.630 1.00 0.00 O ATOM 1194 CB LEU A 72 -2.313 9.842 -3.419 1.00 0.00 C ATOM 1195 CG LEU A 72 -1.472 8.579 -3.203 1.00 0.00 C ATOM 1196 CD1 LEU A 72 -0.083 8.963 -2.693 1.00 0.00 C ATOM 1197 CD2 LEU A 72 -2.154 7.669 -2.178 1.00 0.00 C ATOM 0 H LEU A 72 -1.044 10.784 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.179 8.801 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.698 10.732 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.113 9.893 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.378 8.050 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.511 8.062 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.409 9.603 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.177 9.499 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.551 6.773 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.256 8.200 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.141 7.386 -2.543 1.00 0.00 H new ATOM 1209 N LYS A 73 -4.033 11.911 -5.309 1.00 0.00 N ATOM 1210 CA LYS A 73 -5.244 12.777 -5.422 1.00 0.00 C ATOM 1211 C LYS A 73 -6.190 12.187 -6.471 1.00 0.00 C ATOM 1212 O LYS A 73 -7.301 11.779 -6.174 1.00 0.00 O ATOM 1213 CB LYS A 73 -4.719 14.142 -5.875 1.00 0.00 C ATOM 1214 CG LYS A 73 -5.879 15.137 -5.960 1.00 0.00 C ATOM 1215 CD LYS A 73 -5.428 16.381 -6.730 1.00 0.00 C ATOM 1216 CE LYS A 73 -6.559 17.412 -6.750 1.00 0.00 C ATOM 1217 NZ LYS A 73 -6.310 18.233 -7.968 1.00 0.00 N ATOM 0 H LYS A 73 -3.151 12.360 -5.556 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.798 12.853 -4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.967 14.504 -5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.233 14.052 -6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.732 14.676 -6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.208 15.415 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.541 16.809 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.152 16.110 -7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.534 16.927 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.548 18.027 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.046 18.963 -8.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.377 18.688 -7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.333 17.622 -8.809 1.00 0.00 H new ATOM 1231 N LYS A 74 -5.755 12.117 -7.699 1.00 0.00 N ATOM 1232 CA LYS A 74 -6.635 11.529 -8.748 1.00 0.00 C ATOM 1233 C LYS A 74 -7.139 10.167 -8.260 1.00 0.00 C ATOM 1234 O LYS A 74 -8.324 9.872 -8.280 1.00 0.00 O ATOM 1235 CB LYS A 74 -5.742 11.372 -9.980 1.00 0.00 C ATOM 1236 CG LYS A 74 -6.089 12.454 -11.004 1.00 0.00 C ATOM 1237 CD LYS A 74 -7.508 12.225 -11.528 1.00 0.00 C ATOM 1238 CE LYS A 74 -8.410 13.380 -11.086 1.00 0.00 C ATOM 1239 NZ LYS A 74 -8.374 14.350 -12.215 1.00 0.00 N ATOM 0 H LYS A 74 -4.841 12.437 -8.019 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.506 12.144 -8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.693 11.450 -9.694 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.880 10.384 -10.419 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.014 13.440 -10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.377 12.430 -11.829 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.498 12.154 -12.616 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.898 11.280 -11.150 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.426 13.036 -10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.047 13.834 -10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.970 15.171 -11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.395 14.665 -12.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.732 13.892 -13.078 1.00 0.00 H new ATOM 1253 N PHE A 75 -6.241 9.344 -7.796 1.00 0.00 N ATOM 1254 CA PHE A 75 -6.650 8.013 -7.278 1.00 0.00 C ATOM 1255 C PHE A 75 -7.462 8.198 -6.000 1.00 0.00 C ATOM 1256 O PHE A 75 -8.194 7.327 -5.582 1.00 0.00 O ATOM 1257 CB PHE A 75 -5.340 7.290 -6.975 1.00 0.00 C ATOM 1258 CG PHE A 75 -4.918 6.492 -8.183 1.00 0.00 C ATOM 1259 CD1 PHE A 75 -5.800 5.569 -8.758 1.00 0.00 C ATOM 1260 CD2 PHE A 75 -3.644 6.679 -8.733 1.00 0.00 C ATOM 1261 CE1 PHE A 75 -5.407 4.833 -9.882 1.00 0.00 C ATOM 1262 CE2 PHE A 75 -3.252 5.944 -9.857 1.00 0.00 C ATOM 1263 CZ PHE A 75 -4.133 5.021 -10.431 1.00 0.00 C ATOM 0 H PHE A 75 -5.240 9.538 -7.754 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.266 7.456 -7.983 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.566 8.011 -6.713 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.466 6.631 -6.116 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.783 5.425 -8.335 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.964 7.391 -8.289 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.086 4.120 -10.326 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.270 6.089 -10.282 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.830 4.453 -11.298 1.00 0.00 H new ATOM 1273 N ARG A 76 -7.337 9.329 -5.371 1.00 0.00 N ATOM 1274 CA ARG A 76 -8.102 9.559 -4.124 1.00 0.00 C ATOM 1275 C ARG A 76 -9.581 9.352 -4.412 1.00 0.00 C ATOM 1276 O ARG A 76 -10.263 8.642 -3.713 1.00 0.00 O ATOM 1277 CB ARG A 76 -7.784 11.006 -3.702 1.00 0.00 C ATOM 1278 CG ARG A 76 -8.937 11.964 -4.036 1.00 0.00 C ATOM 1279 CD ARG A 76 -8.590 13.364 -3.527 1.00 0.00 C ATOM 1280 NE ARG A 76 -9.806 14.182 -3.785 1.00 0.00 N ATOM 1281 CZ ARG A 76 -9.707 15.298 -4.456 1.00 0.00 C ATOM 1282 NH1 ARG A 76 -9.215 16.362 -3.881 1.00 0.00 N ATOM 1283 NH2 ARG A 76 -10.098 15.349 -5.699 1.00 0.00 N ATOM 0 H ARG A 76 -6.739 10.101 -5.667 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.837 8.872 -3.320 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.585 11.037 -2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.876 11.340 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.107 11.987 -5.112 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.861 11.615 -3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.344 13.348 -2.465 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.724 13.770 -4.049 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.714 13.872 -3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.909 16.321 -2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.137 17.234 -4.404 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.481 14.517 -6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.020 16.221 -6.223 1.00 0.00 H new ATOM 1297 N ASN A 77 -10.074 9.945 -5.455 1.00 0.00 N ATOM 1298 CA ASN A 77 -11.509 9.756 -5.786 1.00 0.00 C ATOM 1299 C ASN A 77 -11.735 8.329 -6.287 1.00 0.00 C ATOM 1300 O ASN A 77 -12.618 7.623 -5.830 1.00 0.00 O ATOM 1301 CB ASN A 77 -11.797 10.769 -6.894 1.00 0.00 C ATOM 1302 CG ASN A 77 -12.559 11.961 -6.313 1.00 0.00 C ATOM 1303 OD1 ASN A 77 -13.604 12.329 -6.811 1.00 0.00 O ATOM 1304 ND2 ASN A 77 -12.077 12.583 -5.273 1.00 0.00 N ATOM 0 H ASN A 77 -9.552 10.549 -6.090 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.162 9.904 -4.926 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.863 11.106 -7.345 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.382 10.301 -7.686 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.578 13.379 -4.877 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.199 12.274 -4.855 1.00 0.00 H new ATOM 1311 N ALA A 78 -10.940 7.896 -7.225 1.00 0.00 N ATOM 1312 CA ALA A 78 -11.118 6.513 -7.763 1.00 0.00 C ATOM 1313 C ALA A 78 -10.549 5.470 -6.796 1.00 0.00 C ATOM 1314 O ALA A 78 -11.277 4.705 -6.189 1.00 0.00 O ATOM 1315 CB ALA A 78 -10.348 6.501 -9.085 1.00 0.00 C ATOM 0 H ALA A 78 -10.179 8.433 -7.642 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.170 6.262 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.430 5.516 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.766 7.251 -9.756 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.299 6.727 -8.897 1.00 0.00 H new ATOM 1321 N MET A 79 -9.254 5.425 -6.659 1.00 0.00 N ATOM 1322 CA MET A 79 -8.633 4.427 -5.744 1.00 0.00 C ATOM 1323 C MET A 79 -9.423 4.313 -4.438 1.00 0.00 C ATOM 1324 O MET A 79 -9.869 3.243 -4.076 1.00 0.00 O ATOM 1325 CB MET A 79 -7.223 4.949 -5.473 1.00 0.00 C ATOM 1326 CG MET A 79 -6.324 3.786 -5.047 1.00 0.00 C ATOM 1327 SD MET A 79 -4.589 4.233 -5.307 1.00 0.00 S ATOM 1328 CE MET A 79 -3.932 2.549 -5.392 1.00 0.00 C ATOM 0 H MET A 79 -8.597 6.038 -7.142 1.00 0.00 H new ATOM 0 HA MET A 79 -8.622 3.431 -6.187 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.821 5.425 -6.368 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.248 5.709 -4.692 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.495 3.546 -3.997 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.570 2.893 -5.622 1.00 0.00 H new ATOM 0 HE1 MET A 79 -2.906 2.577 -5.760 1.00 0.00 H new ATOM 0 HE2 MET A 79 -3.949 2.101 -4.398 1.00 0.00 H new ATOM 0 HE3 MET A 79 -4.544 1.953 -6.069 1.00 0.00 H new ATOM 1338 N LEU A 80 -9.604 5.389 -3.716 1.00 0.00 N ATOM 1339 CA LEU A 80 -10.363 5.273 -2.439 1.00 0.00 C ATOM 1340 C LEU A 80 -11.695 4.576 -2.699 1.00 0.00 C ATOM 1341 O LEU A 80 -12.096 3.709 -1.951 1.00 0.00 O ATOM 1342 CB LEU A 80 -10.580 6.697 -1.934 1.00 0.00 C ATOM 1343 CG LEU A 80 -9.223 7.388 -1.764 1.00 0.00 C ATOM 1344 CD1 LEU A 80 -9.435 8.812 -1.246 1.00 0.00 C ATOM 1345 CD2 LEU A 80 -8.375 6.606 -0.758 1.00 0.00 C ATOM 0 H LEU A 80 -9.267 6.323 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.824 4.683 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.199 7.254 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.114 6.680 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.712 7.422 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.469 9.303 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.040 9.372 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.947 8.777 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.409 7.097 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.889 6.573 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.222 5.590 -1.123 1.00 0.00 H new ATOM 1357 N LYS A 81 -12.379 4.928 -3.762 1.00 0.00 N ATOM 1358 CA LYS A 81 -13.672 4.244 -4.054 1.00 0.00 C ATOM 1359 C LYS A 81 -13.507 2.742 -3.800 1.00 0.00 C ATOM 1360 O LYS A 81 -14.171 2.163 -2.959 1.00 0.00 O ATOM 1361 CB LYS A 81 -13.946 4.514 -5.535 1.00 0.00 C ATOM 1362 CG LYS A 81 -15.440 4.774 -5.741 1.00 0.00 C ATOM 1363 CD LYS A 81 -15.689 6.281 -5.829 1.00 0.00 C ATOM 1364 CE LYS A 81 -15.262 6.947 -4.519 1.00 0.00 C ATOM 1365 NZ LYS A 81 -15.219 8.404 -4.826 1.00 0.00 N ATOM 0 H LYS A 81 -12.101 5.648 -4.429 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.491 4.600 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.367 5.374 -5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.629 3.661 -6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.783 4.284 -6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.011 4.348 -4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.130 6.704 -6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.744 6.475 -6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.969 6.733 -3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.288 6.584 -4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.323 8.948 -3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.309 8.638 -5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.995 8.645 -5.475 1.00 0.00 H new ATOM 1379 N SER A 82 -12.604 2.114 -4.504 1.00 0.00 N ATOM 1380 CA SER A 82 -12.374 0.655 -4.289 1.00 0.00 C ATOM 1381 C SER A 82 -11.522 0.437 -3.032 1.00 0.00 C ATOM 1382 O SER A 82 -11.939 -0.212 -2.092 1.00 0.00 O ATOM 1383 CB SER A 82 -11.624 0.185 -5.534 1.00 0.00 C ATOM 1384 OG SER A 82 -11.918 1.057 -6.617 1.00 0.00 O ATOM 0 H SER A 82 -12.017 2.546 -5.217 1.00 0.00 H new ATOM 0 HA SER A 82 -13.304 0.105 -4.143 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.551 0.173 -5.343 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.915 -0.835 -5.784 1.00 0.00 H new ATOM 0 HG SER A 82 -11.176 1.685 -6.742 1.00 0.00 H new ATOM 1390 N ILE A 83 -10.333 0.979 -3.006 1.00 0.00 N ATOM 1391 CA ILE A 83 -9.458 0.805 -1.809 1.00 0.00 C ATOM 1392 C ILE A 83 -10.262 1.089 -0.537 1.00 0.00 C ATOM 1393 O ILE A 83 -10.518 0.203 0.254 1.00 0.00 O ATOM 1394 CB ILE A 83 -8.325 1.825 -1.985 1.00 0.00 C ATOM 1395 CG1 ILE A 83 -7.250 1.237 -2.902 1.00 0.00 C ATOM 1396 CG2 ILE A 83 -7.699 2.153 -0.627 1.00 0.00 C ATOM 1397 CD1 ILE A 83 -7.777 1.167 -4.336 1.00 0.00 C ATOM 0 H ILE A 83 -9.930 1.534 -3.761 1.00 0.00 H new ATOM 0 HA ILE A 83 -9.067 -0.209 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.732 2.736 -2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.351 1.852 -2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.970 0.241 -2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.896 2.878 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.459 2.572 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.296 1.243 -0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.009 0.748 -4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.664 0.534 -4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.035 2.169 -4.678 1.00 0.00 H new ATOM 1409 N CYS A 84 -10.665 2.316 -0.335 1.00 0.00 N ATOM 1410 CA CYS A 84 -11.457 2.643 0.885 1.00 0.00 C ATOM 1411 C CYS A 84 -12.513 1.563 1.114 1.00 0.00 C ATOM 1412 O CYS A 84 -12.718 1.108 2.222 1.00 0.00 O ATOM 1413 CB CYS A 84 -12.116 3.991 0.588 1.00 0.00 C ATOM 1414 SG CYS A 84 -12.298 4.925 2.129 1.00 0.00 S ATOM 0 H CYS A 84 -10.481 3.102 -0.959 1.00 0.00 H new ATOM 0 HA CYS A 84 -10.842 2.690 1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -11.512 4.555 -0.123 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -13.091 3.837 0.126 1.00 0.00 H new ATOM 0 HG CYS A 84 -12.447 6.187 1.856 1.00 0.00 H new ATOM 1420 N GLU A 85 -13.179 1.135 0.074 1.00 0.00 N ATOM 1421 CA GLU A 85 -14.207 0.072 0.243 1.00 0.00 C ATOM 1422 C GLU A 85 -13.607 -1.101 1.023 1.00 0.00 C ATOM 1423 O GLU A 85 -14.304 -1.834 1.697 1.00 0.00 O ATOM 1424 CB GLU A 85 -14.577 -0.355 -1.178 1.00 0.00 C ATOM 1425 CG GLU A 85 -16.096 -0.302 -1.347 1.00 0.00 C ATOM 1426 CD GLU A 85 -16.650 -1.724 -1.436 1.00 0.00 C ATOM 1427 OE1 GLU A 85 -16.527 -2.323 -2.492 1.00 0.00 O ATOM 1428 OE2 GLU A 85 -17.187 -2.192 -0.446 1.00 0.00 O ATOM 0 H GLU A 85 -13.055 1.475 -0.880 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.080 0.416 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.097 0.302 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.214 -1.364 -1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.548 0.224 -0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.353 0.257 -2.247 1.00 0.00 H new ATOM 1435 N VAL A 86 -12.315 -1.282 0.938 1.00 0.00 N ATOM 1436 CA VAL A 86 -11.664 -2.404 1.678 1.00 0.00 C ATOM 1437 C VAL A 86 -10.215 -2.045 2.020 1.00 0.00 C ATOM 1438 O VAL A 86 -9.285 -2.691 1.579 1.00 0.00 O ATOM 1439 CB VAL A 86 -11.709 -3.592 0.719 1.00 0.00 C ATOM 1440 CG1 VAL A 86 -11.309 -4.866 1.464 1.00 0.00 C ATOM 1441 CG2 VAL A 86 -13.127 -3.750 0.166 1.00 0.00 C ATOM 0 H VAL A 86 -11.682 -0.701 0.388 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.167 -2.622 2.620 1.00 0.00 H new ATOM 0 HB VAL A 86 -11.015 -3.419 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -11.341 -5.713 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -10.298 -4.756 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -12.002 -5.039 2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -13.158 -4.598 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.821 -3.922 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.413 -2.843 -0.367 1.00 0.00 H new ATOM 1451 N LEU A 87 -10.015 -1.022 2.806 1.00 0.00 N ATOM 1452 CA LEU A 87 -8.626 -0.626 3.178 1.00 0.00 C ATOM 1453 C LEU A 87 -8.603 -0.035 4.591 1.00 0.00 C ATOM 1454 O LEU A 87 -8.054 1.023 4.824 1.00 0.00 O ATOM 1455 CB LEU A 87 -8.223 0.432 2.148 1.00 0.00 C ATOM 1456 CG LEU A 87 -6.713 0.660 2.221 1.00 0.00 C ATOM 1457 CD1 LEU A 87 -6.023 -0.125 1.103 1.00 0.00 C ATOM 1458 CD2 LEU A 87 -6.412 2.151 2.054 1.00 0.00 C ATOM 0 H LEU A 87 -10.753 -0.443 3.207 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.943 -1.475 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.505 0.107 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.753 1.365 2.342 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.342 0.320 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.946 0.038 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.236 -1.188 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.395 0.215 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.335 2.313 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.784 2.491 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.902 2.712 2.849 1.00 0.00 H new ATOM 1470 N ASP A 88 -9.196 -0.713 5.536 1.00 0.00 N ATOM 1471 CA ASP A 88 -9.207 -0.190 6.934 1.00 0.00 C ATOM 1472 C ASP A 88 -9.950 1.146 6.990 1.00 0.00 C ATOM 1473 O ASP A 88 -9.618 2.021 7.765 1.00 0.00 O ATOM 1474 CB ASP A 88 -7.735 -0.001 7.300 1.00 0.00 C ATOM 1475 CG ASP A 88 -7.526 -0.354 8.774 1.00 0.00 C ATOM 1476 OD1 ASP A 88 -8.270 -1.180 9.276 1.00 0.00 O ATOM 1477 OD2 ASP A 88 -6.626 0.209 9.375 1.00 0.00 O ATOM 0 H ASP A 88 -9.673 -1.605 5.402 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.713 -0.865 7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.109 -0.634 6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.433 1.030 7.116 1.00 0.00 H new ATOM 1482 N LEU A 89 -10.953 1.310 6.173 1.00 0.00 N ATOM 1483 CA LEU A 89 -11.716 2.591 6.177 1.00 0.00 C ATOM 1484 C LEU A 89 -13.187 2.331 5.849 1.00 0.00 C ATOM 1485 O LEU A 89 -13.597 1.208 5.631 1.00 0.00 O ATOM 1486 CB LEU A 89 -11.064 3.438 5.084 1.00 0.00 C ATOM 1487 CG LEU A 89 -10.250 4.563 5.726 1.00 0.00 C ATOM 1488 CD1 LEU A 89 -8.893 4.677 5.028 1.00 0.00 C ATOM 1489 CD2 LEU A 89 -11.006 5.887 5.586 1.00 0.00 C ATOM 0 H LEU A 89 -11.278 0.613 5.503 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.691 3.086 7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.418 2.816 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.828 3.856 4.429 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.098 4.340 6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.314 5.479 5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.352 3.736 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.045 4.897 3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.425 6.688 6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.160 6.108 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.972 5.809 6.085 1.00 0.00 H new ATOM 1501 N GLU A 90 -13.986 3.361 5.810 1.00 0.00 N ATOM 1502 CA GLU A 90 -15.431 3.173 5.493 1.00 0.00 C ATOM 1503 C GLU A 90 -15.913 4.278 4.551 1.00 0.00 C ATOM 1504 O GLU A 90 -17.098 4.494 4.389 1.00 0.00 O ATOM 1505 CB GLU A 90 -16.148 3.264 6.841 1.00 0.00 C ATOM 1506 CG GLU A 90 -17.573 2.725 6.696 1.00 0.00 C ATOM 1507 CD GLU A 90 -18.170 2.485 8.084 1.00 0.00 C ATOM 1508 OE1 GLU A 90 -17.415 2.495 9.043 1.00 0.00 O ATOM 1509 OE2 GLU A 90 -19.372 2.293 8.164 1.00 0.00 O ATOM 0 H GLU A 90 -13.702 4.325 5.984 1.00 0.00 H new ATOM 0 HA GLU A 90 -15.625 2.224 4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -15.606 2.691 7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -16.172 4.298 7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -18.187 3.435 6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -17.566 1.796 6.126 1.00 0.00 H new ATOM 1516 N ARG A 91 -15.004 4.978 3.928 1.00 0.00 N ATOM 1517 CA ARG A 91 -15.410 6.068 2.995 1.00 0.00 C ATOM 1518 C ARG A 91 -16.081 7.206 3.769 1.00 0.00 C ATOM 1519 O ARG A 91 -17.199 7.083 4.230 1.00 0.00 O ATOM 1520 CB ARG A 91 -16.401 5.414 2.032 1.00 0.00 C ATOM 1521 CG ARG A 91 -16.379 6.155 0.694 1.00 0.00 C ATOM 1522 CD ARG A 91 -17.727 6.843 0.472 1.00 0.00 C ATOM 1523 NE ARG A 91 -17.435 8.299 0.571 1.00 0.00 N ATOM 1524 CZ ARG A 91 -17.253 9.003 -0.513 1.00 0.00 C ATOM 1525 NH1 ARG A 91 -18.266 9.287 -1.284 1.00 0.00 N ATOM 1526 NH2 ARG A 91 -16.058 9.422 -0.825 1.00 0.00 N ATOM 0 H ARG A 91 -13.998 4.842 4.025 1.00 0.00 H new ATOM 0 HA ARG A 91 -14.559 6.502 2.471 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -16.142 4.366 1.883 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -17.405 5.437 2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -15.576 6.892 0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -16.177 5.456 -0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -18.144 6.589 -0.502 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -18.456 6.534 1.221 1.00 0.00 H new ATOM 0 HE ARG A 91 -17.377 8.747 1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -19.200 8.959 -1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -18.124 9.837 -2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.266 9.200 -0.222 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.915 9.972 -1.672 1.00 0.00 H new ATOM 1540 N SER A 92 -15.406 8.313 3.916 1.00 0.00 N ATOM 1541 CA SER A 92 -16.003 9.458 4.661 1.00 0.00 C ATOM 1542 C SER A 92 -15.062 10.667 4.612 1.00 0.00 C ATOM 1543 O SER A 92 -13.912 10.586 4.994 1.00 0.00 O ATOM 1544 CB SER A 92 -16.159 8.957 6.097 1.00 0.00 C ATOM 1545 OG SER A 92 -17.538 8.944 6.442 1.00 0.00 O ATOM 0 H SER A 92 -14.467 8.474 3.552 1.00 0.00 H new ATOM 0 HA SER A 92 -16.954 9.778 4.236 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.739 7.956 6.193 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.607 9.601 6.781 1.00 0.00 H new ATOM 0 HG SER A 92 -18.016 8.322 5.855 1.00 0.00 H new ATOM 1551 N GLY A 93 -15.542 11.787 4.142 1.00 0.00 N ATOM 1552 CA GLY A 93 -14.674 12.997 4.067 1.00 0.00 C ATOM 1553 C GLY A 93 -14.900 13.708 2.731 1.00 0.00 C ATOM 1554 O GLY A 93 -15.661 13.257 1.899 1.00 0.00 O ATOM 0 H GLY A 93 -16.497 11.916 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.901 13.672 4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.627 12.712 4.167 1.00 0.00 H new ATOM 1558 N VAL A 94 -14.245 14.818 2.518 1.00 0.00 N ATOM 1559 CA VAL A 94 -14.424 15.556 1.234 1.00 0.00 C ATOM 1560 C VAL A 94 -13.187 15.382 0.347 1.00 0.00 C ATOM 1561 O VAL A 94 -12.165 14.892 0.784 1.00 0.00 O ATOM 1562 CB VAL A 94 -14.593 17.020 1.642 1.00 0.00 C ATOM 1563 CG1 VAL A 94 -14.612 17.902 0.393 1.00 0.00 C ATOM 1564 CG2 VAL A 94 -15.911 17.186 2.402 1.00 0.00 C ATOM 0 H VAL A 94 -13.594 15.245 3.177 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.277 15.192 0.661 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.762 17.316 2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -14.733 18.945 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.674 17.784 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.443 17.607 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -16.034 18.229 2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -16.741 16.889 1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -15.899 16.559 3.293 1.00 0.00 H new ATOM 1574 N ASN A 95 -13.272 15.782 -0.894 1.00 0.00 N ATOM 1575 CA ASN A 95 -12.100 15.639 -1.808 1.00 0.00 C ATOM 1576 C ASN A 95 -10.811 16.023 -1.079 1.00 0.00 C ATOM 1577 O ASN A 95 -9.932 15.208 -0.881 1.00 0.00 O ATOM 1578 CB ASN A 95 -12.371 16.610 -2.959 1.00 0.00 C ATOM 1579 CG ASN A 95 -13.602 16.150 -3.742 1.00 0.00 C ATOM 1580 OD1 ASN A 95 -14.697 16.128 -3.216 1.00 0.00 O ATOM 1581 ND2 ASN A 95 -13.467 15.780 -4.986 1.00 0.00 N ATOM 0 H ASN A 95 -14.101 16.201 -1.314 1.00 0.00 H new ATOM 0 HA ASN A 95 -11.975 14.615 -2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -12.531 17.615 -2.570 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.505 16.658 -3.619 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -14.281 15.472 -5.518 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.547 15.799 -5.427 1.00 0.00 H new ATOM 1588 N SER A 96 -10.692 17.259 -0.677 1.00 0.00 N ATOM 1589 CA SER A 96 -9.461 17.692 0.042 1.00 0.00 C ATOM 1590 C SER A 96 -9.147 16.717 1.180 1.00 0.00 C ATOM 1591 O SER A 96 -8.001 16.439 1.475 1.00 0.00 O ATOM 1592 CB SER A 96 -9.790 19.076 0.597 1.00 0.00 C ATOM 1593 OG SER A 96 -10.877 19.629 -0.134 1.00 0.00 O ATOM 0 H SER A 96 -11.393 17.987 -0.815 1.00 0.00 H new ATOM 0 HA SER A 96 -8.588 17.714 -0.610 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.046 19.005 1.654 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.919 19.727 0.523 1.00 0.00 H new ATOM 0 HG SER A 96 -11.092 20.517 0.221 1.00 0.00 H new ATOM 1599 N GLU A 97 -10.157 16.193 1.819 1.00 0.00 N ATOM 1600 CA GLU A 97 -9.916 15.235 2.934 1.00 0.00 C ATOM 1601 C GLU A 97 -9.454 13.887 2.376 1.00 0.00 C ATOM 1602 O GLU A 97 -8.759 13.138 3.034 1.00 0.00 O ATOM 1603 CB GLU A 97 -11.265 15.092 3.639 1.00 0.00 C ATOM 1604 CG GLU A 97 -11.042 15.019 5.150 1.00 0.00 C ATOM 1605 CD GLU A 97 -12.070 15.901 5.862 1.00 0.00 C ATOM 1606 OE1 GLU A 97 -12.554 16.832 5.239 1.00 0.00 O ATOM 1607 OE2 GLU A 97 -12.357 15.629 7.016 1.00 0.00 O ATOM 0 H GLU A 97 -11.138 16.387 1.617 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.140 15.582 3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.907 15.939 3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -11.776 14.194 3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.133 13.988 5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.032 15.349 5.395 1.00 0.00 H new ATOM 1614 N LEU A 98 -9.824 13.577 1.163 1.00 0.00 N ATOM 1615 CA LEU A 98 -9.392 12.283 0.564 1.00 0.00 C ATOM 1616 C LEU A 98 -7.870 12.280 0.409 1.00 0.00 C ATOM 1617 O LEU A 98 -7.183 11.408 0.907 1.00 0.00 O ATOM 1618 CB LEU A 98 -10.080 12.227 -0.802 1.00 0.00 C ATOM 1619 CG LEU A 98 -11.595 12.138 -0.609 1.00 0.00 C ATOM 1620 CD1 LEU A 98 -12.261 11.777 -1.939 1.00 0.00 C ATOM 1621 CD2 LEU A 98 -11.915 11.059 0.429 1.00 0.00 C ATOM 0 H LEU A 98 -10.405 14.162 0.563 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.657 11.422 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.829 13.114 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.723 11.365 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.973 13.100 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.340 11.714 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.035 12.544 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.883 10.815 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.994 10.995 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.536 10.097 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.443 11.315 1.377 1.00 0.00 H new ATOM 1633 N VAL A 99 -7.336 13.260 -0.264 1.00 0.00 N ATOM 1634 CA VAL A 99 -5.859 13.321 -0.432 1.00 0.00 C ATOM 1635 C VAL A 99 -5.195 13.329 0.946 1.00 0.00 C ATOM 1636 O VAL A 99 -4.441 12.440 1.286 1.00 0.00 O ATOM 1637 CB VAL A 99 -5.600 14.631 -1.177 1.00 0.00 C ATOM 1638 CG1 VAL A 99 -4.149 15.073 -0.965 1.00 0.00 C ATOM 1639 CG2 VAL A 99 -5.848 14.414 -2.671 1.00 0.00 C ATOM 0 H VAL A 99 -7.857 14.019 -0.704 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.455 12.469 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.269 15.402 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.971 16.007 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.966 15.223 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.475 14.305 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.665 15.344 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.175 13.641 -3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.881 14.102 -2.827 1.00 0.00 H new ATOM 1649 N LYS A 100 -5.479 14.317 1.751 1.00 0.00 N ATOM 1650 CA LYS A 100 -4.869 14.357 3.110 1.00 0.00 C ATOM 1651 C LYS A 100 -4.984 12.978 3.758 1.00 0.00 C ATOM 1652 O LYS A 100 -4.175 12.596 4.580 1.00 0.00 O ATOM 1653 CB LYS A 100 -5.688 15.387 3.889 1.00 0.00 C ATOM 1654 CG LYS A 100 -4.746 16.397 4.547 1.00 0.00 C ATOM 1655 CD LYS A 100 -5.439 17.036 5.752 1.00 0.00 C ATOM 1656 CE LYS A 100 -4.982 16.339 7.037 1.00 0.00 C ATOM 1657 NZ LYS A 100 -5.685 17.049 8.144 1.00 0.00 N ATOM 0 H LYS A 100 -6.103 15.093 1.528 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.812 14.622 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.378 15.900 3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.291 14.889 4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.828 15.901 4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.461 17.166 3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.202 18.099 5.799 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.521 16.955 5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.240 15.280 7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.900 16.402 7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.418 16.623 9.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.415 18.053 8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.713 16.967 8.012 1.00 0.00 H new ATOM 1671 N ARG A 101 -5.984 12.224 3.386 1.00 0.00 N ATOM 1672 CA ARG A 101 -6.153 10.865 3.972 1.00 0.00 C ATOM 1673 C ARG A 101 -4.955 9.988 3.606 1.00 0.00 C ATOM 1674 O ARG A 101 -4.445 9.247 4.422 1.00 0.00 O ATOM 1675 CB ARG A 101 -7.432 10.313 3.343 1.00 0.00 C ATOM 1676 CG ARG A 101 -7.998 9.201 4.227 1.00 0.00 C ATOM 1677 CD ARG A 101 -8.657 9.814 5.463 1.00 0.00 C ATOM 1678 NE ARG A 101 -8.847 8.673 6.401 1.00 0.00 N ATOM 1679 CZ ARG A 101 -9.329 8.884 7.595 1.00 0.00 C ATOM 1680 NH1 ARG A 101 -8.546 9.306 8.549 1.00 0.00 N ATOM 1681 NH2 ARG A 101 -10.594 8.670 7.836 1.00 0.00 N ATOM 0 H ARG A 101 -6.691 12.492 2.701 1.00 0.00 H new ATOM 0 HA ARG A 101 -6.216 10.888 5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -8.167 11.110 3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -7.222 9.927 2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -8.726 8.613 3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -7.201 8.520 4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.028 10.587 5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -9.609 10.282 5.212 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.600 7.727 6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -7.557 9.471 8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -8.923 9.471 9.482 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -11.206 8.338 7.091 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -10.970 8.835 8.770 1.00 0.00 H new ATOM 1695 N ILE A 102 -4.498 10.070 2.385 1.00 0.00 N ATOM 1696 CA ILE A 102 -3.327 9.238 1.979 1.00 0.00 C ATOM 1697 C ILE A 102 -2.057 9.768 2.656 1.00 0.00 C ATOM 1698 O ILE A 102 -1.151 9.021 2.968 1.00 0.00 O ATOM 1699 CB ILE A 102 -3.237 9.356 0.450 1.00 0.00 C ATOM 1700 CG1 ILE A 102 -2.541 10.663 0.058 1.00 0.00 C ATOM 1701 CG2 ILE A 102 -4.644 9.335 -0.154 1.00 0.00 C ATOM 1702 CD1 ILE A 102 -1.042 10.412 -0.125 1.00 0.00 C ATOM 0 H ILE A 102 -4.881 10.672 1.656 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.436 8.196 2.279 1.00 0.00 H new ATOM 0 HB ILE A 102 -2.659 8.514 0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.970 11.053 -0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.702 11.418 0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -4.576 9.419 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.138 8.399 0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.221 10.172 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.549 11.343 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.618 10.042 0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.890 9.672 -0.910 1.00 0.00 H new ATOM 1714 N LEU A 103 -1.993 11.052 2.899 1.00 0.00 N ATOM 1715 CA LEU A 103 -0.791 11.627 3.569 1.00 0.00 C ATOM 1716 C LEU A 103 -0.776 11.210 5.041 1.00 0.00 C ATOM 1717 O LEU A 103 0.256 11.174 5.678 1.00 0.00 O ATOM 1718 CB LEU A 103 -0.941 13.142 3.437 1.00 0.00 C ATOM 1719 CG LEU A 103 -1.124 13.511 1.963 1.00 0.00 C ATOM 1720 CD1 LEU A 103 -1.510 14.987 1.850 1.00 0.00 C ATOM 1721 CD2 LEU A 103 0.185 13.266 1.208 1.00 0.00 C ATOM 0 H LEU A 103 -2.721 11.726 2.662 1.00 0.00 H new ATOM 0 HA LEU A 103 0.141 11.279 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.797 13.485 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.061 13.642 3.841 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.913 12.895 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.640 15.250 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.443 15.161 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.722 15.603 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.054 13.529 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.975 13.880 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.459 12.214 1.287 1.00 0.00 H new ATOM 1733 N ASN A 104 -1.919 10.894 5.584 1.00 0.00 N ATOM 1734 CA ASN A 104 -1.976 10.473 7.011 1.00 0.00 C ATOM 1735 C ASN A 104 -2.119 8.950 7.093 1.00 0.00 C ATOM 1736 O ASN A 104 -1.823 8.342 8.102 1.00 0.00 O ATOM 1737 CB ASN A 104 -3.215 11.163 7.583 1.00 0.00 C ATOM 1738 CG ASN A 104 -2.912 12.642 7.822 1.00 0.00 C ATOM 1739 OD1 ASN A 104 -2.967 13.112 8.941 1.00 0.00 O ATOM 1740 ND2 ASN A 104 -2.591 13.402 6.811 1.00 0.00 N ATOM 0 H ASN A 104 -2.817 10.909 5.100 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.076 10.744 7.563 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.053 11.060 6.893 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.511 10.686 8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.386 14.390 6.960 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.545 13.008 5.871 1.00 0.00 H new ATOM 1747 N PHE A 105 -2.567 8.330 6.034 1.00 0.00 N ATOM 1748 CA PHE A 105 -2.725 6.847 6.049 1.00 0.00 C ATOM 1749 C PHE A 105 -1.722 6.200 5.090 1.00 0.00 C ATOM 1750 O PHE A 105 -0.820 5.499 5.505 1.00 0.00 O ATOM 1751 CB PHE A 105 -4.157 6.589 5.581 1.00 0.00 C ATOM 1752 CG PHE A 105 -4.602 5.231 6.067 1.00 0.00 C ATOM 1753 CD1 PHE A 105 -3.834 4.096 5.775 1.00 0.00 C ATOM 1754 CD2 PHE A 105 -5.780 5.104 6.815 1.00 0.00 C ATOM 1755 CE1 PHE A 105 -4.243 2.838 6.229 1.00 0.00 C ATOM 1756 CE2 PHE A 105 -6.188 3.845 7.270 1.00 0.00 C ATOM 1757 CZ PHE A 105 -5.421 2.711 6.977 1.00 0.00 C ATOM 0 H PHE A 105 -2.830 8.786 5.160 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.541 6.425 7.037 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.823 7.362 5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.210 6.634 4.493 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.926 4.193 5.199 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.373 5.978 7.040 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.650 1.964 6.003 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.095 3.748 7.848 1.00 0.00 H new ATOM 0 HZ PHE A 105 -5.737 1.739 7.327 1.00 0.00 H new ATOM 1767 N LEU A 106 -1.866 6.432 3.813 1.00 0.00 N ATOM 1768 CA LEU A 106 -0.911 5.829 2.841 1.00 0.00 C ATOM 1769 C LEU A 106 0.522 6.163 3.259 1.00 0.00 C ATOM 1770 O LEU A 106 1.425 5.362 3.120 1.00 0.00 O ATOM 1771 CB LEU A 106 -1.250 6.473 1.497 1.00 0.00 C ATOM 1772 CG LEU A 106 -2.287 5.614 0.773 1.00 0.00 C ATOM 1773 CD1 LEU A 106 -1.635 4.312 0.303 1.00 0.00 C ATOM 1774 CD2 LEU A 106 -3.437 5.289 1.729 1.00 0.00 C ATOM 0 H LEU A 106 -2.600 7.010 3.403 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.988 4.743 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.638 7.480 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.350 6.568 0.889 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.671 6.160 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.375 3.700 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.815 4.541 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.250 3.766 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.177 4.677 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.051 4.744 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.903 6.215 2.065 1.00 0.00 H new ATOM 1786 N MET A 107 0.732 7.340 3.782 1.00 0.00 N ATOM 1787 CA MET A 107 2.100 7.728 4.228 1.00 0.00 C ATOM 1788 C MET A 107 2.354 7.178 5.633 1.00 0.00 C ATOM 1789 O MET A 107 3.473 7.135 6.103 1.00 0.00 O ATOM 1790 CB MET A 107 2.095 9.258 4.237 1.00 0.00 C ATOM 1791 CG MET A 107 3.263 9.776 5.083 1.00 0.00 C ATOM 1792 SD MET A 107 2.651 10.328 6.694 1.00 0.00 S ATOM 1793 CE MET A 107 4.153 9.974 7.638 1.00 0.00 C ATOM 0 H MET A 107 0.014 8.051 3.920 1.00 0.00 H new ATOM 0 HA MET A 107 2.883 7.334 3.580 1.00 0.00 H new ATOM 0 HB2 MET A 107 2.176 9.637 3.218 1.00 0.00 H new ATOM 0 HB3 MET A 107 1.151 9.625 4.640 1.00 0.00 H new ATOM 0 HG2 MET A 107 4.006 8.989 5.215 1.00 0.00 H new ATOM 0 HG3 MET A 107 3.759 10.600 4.570 1.00 0.00 H new ATOM 0 HE1 MET A 107 3.897 9.829 8.688 1.00 0.00 H new ATOM 0 HE2 MET A 107 4.622 9.070 7.250 1.00 0.00 H new ATOM 0 HE3 MET A 107 4.846 10.810 7.546 1.00 0.00 H new ATOM 1803 N HIS A 108 1.316 6.753 6.303 1.00 0.00 N ATOM 1804 CA HIS A 108 1.481 6.198 7.678 1.00 0.00 C ATOM 1805 C HIS A 108 0.144 5.660 8.189 1.00 0.00 C ATOM 1806 O HIS A 108 -0.582 6.343 8.884 1.00 0.00 O ATOM 1807 CB HIS A 108 1.948 7.372 8.537 1.00 0.00 C ATOM 1808 CG HIS A 108 3.332 7.088 9.053 1.00 0.00 C ATOM 1809 ND1 HIS A 108 3.764 7.530 10.294 1.00 0.00 N ATOM 1810 CD2 HIS A 108 4.393 6.410 8.506 1.00 0.00 C ATOM 1811 CE1 HIS A 108 5.035 7.117 10.452 1.00 0.00 C ATOM 1812 NE2 HIS A 108 5.467 6.429 9.391 1.00 0.00 N ATOM 0 H HIS A 108 0.357 6.766 5.956 1.00 0.00 H new ATOM 0 HA HIS A 108 2.192 5.372 7.704 1.00 0.00 H new ATOM 0 HB2 HIS A 108 1.947 8.290 7.950 1.00 0.00 H new ATOM 0 HB3 HIS A 108 1.261 7.525 9.369 1.00 0.00 H new ATOM 0 HD2 HIS A 108 4.394 5.934 7.536 1.00 0.00 H new ATOM 0 HE1 HIS A 108 5.633 7.317 11.329 1.00 0.00 H new ATOM 0 HE2 HIS A 108 6.387 6.008 9.258 1.00 0.00 H new ATOM 1820 N PRO A 109 -0.135 4.442 7.819 1.00 0.00 N ATOM 1821 CA PRO A 109 -1.398 3.780 8.235 1.00 0.00 C ATOM 1822 C PRO A 109 -1.389 3.500 9.742 1.00 0.00 C ATOM 1823 O PRO A 109 -1.750 4.343 10.539 1.00 0.00 O ATOM 1824 CB PRO A 109 -1.397 2.482 7.429 1.00 0.00 C ATOM 1825 CG PRO A 109 0.044 2.223 7.134 1.00 0.00 C ATOM 1826 CD PRO A 109 0.696 3.569 6.986 1.00 0.00 C ATOM 0 HA PRO A 109 -2.285 4.387 8.053 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.839 1.663 7.996 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.977 2.584 6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 109 0.509 1.653 7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 109 0.154 1.636 6.222 1.00 0.00 H new ATOM 0 HD2 PRO A 109 1.731 3.554 7.328 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.708 3.898 5.947 1.00 0.00 H new ATOM 1834 N LYS A 110 -0.980 2.324 10.142 1.00 0.00 N ATOM 1835 CA LYS A 110 -0.951 2.001 11.598 1.00 0.00 C ATOM 1836 C LYS A 110 -2.369 2.031 12.175 1.00 0.00 C ATOM 1837 O LYS A 110 -2.989 0.981 12.228 1.00 0.00 O ATOM 1838 CB LYS A 110 -0.091 3.096 12.230 1.00 0.00 C ATOM 1839 CG LYS A 110 1.206 2.485 12.765 1.00 0.00 C ATOM 1840 CD LYS A 110 2.402 3.279 12.234 1.00 0.00 C ATOM 1841 CE LYS A 110 2.637 2.926 10.763 1.00 0.00 C ATOM 1842 NZ LYS A 110 2.905 4.229 10.090 1.00 0.00 N ATOM 0 H LYS A 110 -0.666 1.576 9.524 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.551 1.006 11.792 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.135 3.866 11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.638 3.580 13.039 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.203 2.497 13.855 1.00 0.00 H new ATOM 0 HG3 LYS A 110 1.283 1.442 12.458 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.217 4.348 12.337 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.292 3.051 12.820 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.480 2.244 10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 110 1.767 2.431 10.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.824 4.111 9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.213 4.935 10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.865 4.551 10.327 1.00 0.00 H new