USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 670 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 25 GLN : amide:sc= -4.2 X(o=-5.7,f=-6.1!) USER MOD Set 1.2: A 37 MET CE :methyl -107:sc= -1.47 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -3.37 K(o=-3.4,f=-14!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 91:sc= 0.836 USER MOD Single : A 16 LYS NZ :NH3+ -138:sc= -0.22 (180deg=-0.938) USER MOD Single : A 19 SER OG : rot 83:sc= 0.0287 USER MOD Single : A 23 ASN : amide:sc=-0.00151 X(o=-0.0015,f=-0.19) USER MOD Single : A 24 GLN : amide:sc= -1.44! K(o=-1.4!,f=-0.7) USER MOD Single : A 28 ASN : amide:sc= -1.57 K(o=-1.6,f=-11!) USER MOD Single : A 33 SER OG : rot 180:sc=0.000953 USER MOD Single : A 39 THR OG1 : rot 59:sc= 1.17 USER MOD Single : A 45 MET CE :methyl -140:sc= 0 (180deg=-0.208) USER MOD Single : A 46 ASN : amide:sc= 0.341 X(o=0.34,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.94! C(o=-3.9!,f=-3!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 130:sc= -1.88 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.19) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.63 K(o=-2.6,f=-12!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.646 K(o=0.65,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= -2.89! (180deg=-2.89!) USER MOD Single : A 85 TYR OH : rot -146:sc= 1.05 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 80:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -6.095 20.168 -6.323 1.00 0.00 N ATOM 64 CA ALA A 6 -5.084 19.939 -5.296 1.00 0.00 C ATOM 65 C ALA A 6 -5.301 18.596 -4.609 1.00 0.00 C ATOM 66 O ALA A 6 -4.360 17.826 -4.409 1.00 0.00 O ATOM 67 CB ALA A 6 -5.103 21.068 -4.277 1.00 0.00 C ATOM 0 HA ALA A 6 -4.106 19.918 -5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.344 20.885 -3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.894 22.013 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.085 21.116 -3.806 1.00 0.00 H new ATOM 73 N ASN A 7 -6.551 18.316 -4.256 1.00 0.00 N ATOM 74 CA ASN A 7 -6.896 17.062 -3.601 1.00 0.00 C ATOM 75 C ASN A 7 -6.607 15.881 -4.519 1.00 0.00 C ATOM 76 O ASN A 7 -6.000 14.890 -4.110 1.00 0.00 O ATOM 77 CB ASN A 7 -8.374 17.062 -3.208 1.00 0.00 C ATOM 78 CG ASN A 7 -8.585 17.378 -1.742 1.00 0.00 C ATOM 79 OD1 ASN A 7 -9.205 16.603 -1.015 1.00 0.00 O ATOM 80 ND2 ASN A 7 -8.069 18.518 -1.301 1.00 0.00 N ATOM 0 H ASN A 7 -7.341 18.941 -4.413 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.286 16.965 -2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.908 17.794 -3.814 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -8.806 16.087 -3.432 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.179 18.783 -0.322 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.562 19.130 -1.941 1.00 0.00 H new ATOM 87 N LYS A 8 -7.051 15.998 -5.765 1.00 0.00 N ATOM 88 CA LYS A 8 -6.853 14.947 -6.752 1.00 0.00 C ATOM 89 C LYS A 8 -5.369 14.718 -7.029 1.00 0.00 C ATOM 90 O LYS A 8 -4.965 13.615 -7.398 1.00 0.00 O ATOM 91 CB LYS A 8 -7.580 15.299 -8.052 1.00 0.00 C ATOM 92 CG LYS A 8 -8.944 14.641 -8.179 1.00 0.00 C ATOM 93 CD LYS A 8 -9.704 15.157 -9.391 1.00 0.00 C ATOM 94 CE LYS A 8 -10.641 16.295 -9.018 1.00 0.00 C ATOM 95 NZ LYS A 8 -11.901 15.798 -8.399 1.00 0.00 N ATOM 0 H LYS A 8 -7.552 16.814 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.268 14.024 -6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.700 16.381 -8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.961 15.001 -8.898 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.821 13.561 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.525 14.830 -7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.997 15.499 -10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.277 14.343 -9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.137 16.968 -8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.879 16.876 -9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.512 16.605 -8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.396 15.176 -9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.676 15.265 -7.534 1.00 0.00 H new ATOM 109 N ASP A 9 -4.561 15.762 -6.863 1.00 0.00 N ATOM 110 CA ASP A 9 -3.128 15.649 -7.113 1.00 0.00 C ATOM 111 C ASP A 9 -2.426 14.899 -5.986 1.00 0.00 C ATOM 112 O ASP A 9 -1.612 14.012 -6.242 1.00 0.00 O ATOM 113 CB ASP A 9 -2.506 17.039 -7.326 1.00 0.00 C ATOM 114 CG ASP A 9 -1.808 17.587 -6.092 1.00 0.00 C ATOM 115 OD1 ASP A 9 -0.764 17.024 -5.700 1.00 0.00 O ATOM 116 OD2 ASP A 9 -2.302 18.584 -5.523 1.00 0.00 O ATOM 0 H ASP A 9 -4.870 16.686 -6.560 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.989 15.070 -8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.789 16.986 -8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.287 17.735 -7.631 1.00 0.00 H new ATOM 121 N LEU A 10 -2.738 15.245 -4.740 1.00 0.00 N ATOM 122 CA LEU A 10 -2.119 14.576 -3.602 1.00 0.00 C ATOM 123 C LEU A 10 -2.456 13.093 -3.631 1.00 0.00 C ATOM 124 O LEU A 10 -1.574 12.238 -3.499 1.00 0.00 O ATOM 125 CB LEU A 10 -2.587 15.205 -2.285 1.00 0.00 C ATOM 126 CG LEU A 10 -1.814 14.776 -1.034 1.00 0.00 C ATOM 127 CD1 LEU A 10 -2.343 13.449 -0.513 1.00 0.00 C ATOM 128 CD2 LEU A 10 -0.321 14.682 -1.321 1.00 0.00 C ATOM 0 H LEU A 10 -3.407 15.975 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.038 14.696 -3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.520 16.289 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.640 14.961 -2.141 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.962 15.535 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.783 13.158 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.398 13.552 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.227 12.684 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.205 14.376 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.147 13.948 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.049 15.655 -1.644 1.00 0.00 H new ATOM 140 N ILE A 11 -3.734 12.788 -3.837 1.00 0.00 N ATOM 141 CA ILE A 11 -4.170 11.405 -3.914 1.00 0.00 C ATOM 142 C ILE A 11 -3.474 10.712 -5.078 1.00 0.00 C ATOM 143 O ILE A 11 -2.849 9.666 -4.905 1.00 0.00 O ATOM 144 CB ILE A 11 -5.698 11.299 -4.096 1.00 0.00 C ATOM 145 CG1 ILE A 11 -6.424 12.020 -2.959 1.00 0.00 C ATOM 146 CG2 ILE A 11 -6.128 9.841 -4.163 1.00 0.00 C ATOM 147 CD1 ILE A 11 -6.199 11.393 -1.601 1.00 0.00 C ATOM 0 H ILE A 11 -4.478 13.477 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.906 10.919 -2.975 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.967 11.780 -5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.094 13.058 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.493 12.031 -3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.209 9.786 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.637 9.355 -5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.846 9.336 -3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.744 11.958 -0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.556 10.363 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.135 11.406 -1.366 1.00 0.00 H new ATOM 159 N SER A 12 -3.584 11.304 -6.266 1.00 0.00 N ATOM 160 CA SER A 12 -2.966 10.747 -7.462 1.00 0.00 C ATOM 161 C SER A 12 -1.466 10.569 -7.279 1.00 0.00 C ATOM 162 O SER A 12 -0.872 9.657 -7.842 1.00 0.00 O ATOM 163 CB SER A 12 -3.237 11.649 -8.668 1.00 0.00 C ATOM 164 OG SER A 12 -4.582 11.533 -9.100 1.00 0.00 O ATOM 0 H SER A 12 -4.097 12.171 -6.423 1.00 0.00 H new ATOM 0 HA SER A 12 -3.407 9.766 -7.638 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.024 12.685 -8.406 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.565 11.382 -9.484 1.00 0.00 H new ATOM 0 HG SER A 12 -5.133 12.199 -8.637 1.00 0.00 H new ATOM 170 N ALA A 13 -0.851 11.453 -6.507 1.00 0.00 N ATOM 171 CA ALA A 13 0.587 11.380 -6.277 1.00 0.00 C ATOM 172 C ALA A 13 0.947 10.174 -5.425 1.00 0.00 C ATOM 173 O ALA A 13 1.923 9.478 -5.705 1.00 0.00 O ATOM 174 CB ALA A 13 1.098 12.664 -5.642 1.00 0.00 C ATOM 0 H ALA A 13 -1.320 12.224 -6.032 1.00 0.00 H new ATOM 0 HA ALA A 13 1.075 11.261 -7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.173 12.587 -5.480 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.890 13.505 -6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.597 12.822 -4.687 1.00 0.00 H new ATOM 180 N GLY A 14 0.126 9.890 -4.423 1.00 0.00 N ATOM 181 CA GLY A 14 0.367 8.716 -3.606 1.00 0.00 C ATOM 182 C GLY A 14 0.052 7.484 -4.420 1.00 0.00 C ATOM 183 O GLY A 14 0.808 6.515 -4.450 1.00 0.00 O ATOM 0 H GLY A 14 -0.691 10.442 -4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.405 8.694 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.254 8.746 -2.710 1.00 0.00 H new ATOM 187 N LEU A 15 -1.088 7.559 -5.091 1.00 0.00 N ATOM 188 CA LEU A 15 -1.557 6.480 -5.945 1.00 0.00 C ATOM 189 C LEU A 15 -0.487 6.119 -6.971 1.00 0.00 C ATOM 190 O LEU A 15 -0.032 4.976 -7.028 1.00 0.00 O ATOM 191 CB LEU A 15 -2.865 6.865 -6.640 1.00 0.00 C ATOM 192 CG LEU A 15 -4.118 6.191 -6.074 1.00 0.00 C ATOM 193 CD1 LEU A 15 -4.639 6.951 -4.862 1.00 0.00 C ATOM 194 CD2 LEU A 15 -5.193 6.084 -7.146 1.00 0.00 C ATOM 0 H LEU A 15 -1.711 8.366 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.752 5.606 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.990 7.946 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.784 6.618 -7.698 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.851 5.184 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.529 6.454 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.871 6.972 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.890 7.971 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.077 5.603 -6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.455 7.081 -7.499 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.817 5.491 -7.980 1.00 0.00 H new ATOM 206 N LYS A 16 -0.080 7.094 -7.773 1.00 0.00 N ATOM 207 CA LYS A 16 0.946 6.866 -8.784 1.00 0.00 C ATOM 208 C LYS A 16 2.259 6.464 -8.122 1.00 0.00 C ATOM 209 O LYS A 16 3.061 5.731 -8.700 1.00 0.00 O ATOM 210 CB LYS A 16 1.146 8.122 -9.637 1.00 0.00 C ATOM 211 CG LYS A 16 1.338 7.827 -11.116 1.00 0.00 C ATOM 212 CD LYS A 16 2.809 7.672 -11.467 1.00 0.00 C ATOM 213 CE LYS A 16 3.565 8.981 -11.294 1.00 0.00 C ATOM 214 NZ LYS A 16 4.428 8.965 -10.082 1.00 0.00 N ATOM 0 H LYS A 16 -0.442 8.047 -7.744 1.00 0.00 H new ATOM 0 HA LYS A 16 0.618 6.055 -9.433 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.283 8.776 -9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.014 8.668 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.802 6.915 -11.379 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.905 8.633 -11.708 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.256 6.906 -10.834 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.904 7.329 -12.497 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.180 9.165 -12.175 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.854 9.804 -11.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.354 9.879 -9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.118 8.204 -9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.416 8.801 -10.362 1.00 0.00 H new ATOM 228 N GLU A 17 2.465 6.948 -6.902 1.00 0.00 N ATOM 229 CA GLU A 17 3.675 6.641 -6.150 1.00 0.00 C ATOM 230 C GLU A 17 3.716 5.167 -5.759 1.00 0.00 C ATOM 231 O GLU A 17 4.740 4.499 -5.913 1.00 0.00 O ATOM 232 CB GLU A 17 3.761 7.516 -4.899 1.00 0.00 C ATOM 233 CG GLU A 17 4.507 8.820 -5.119 1.00 0.00 C ATOM 234 CD GLU A 17 6.003 8.677 -4.924 1.00 0.00 C ATOM 235 OE1 GLU A 17 6.622 7.874 -5.653 1.00 0.00 O ATOM 236 OE2 GLU A 17 6.556 9.368 -4.042 1.00 0.00 O ATOM 0 H GLU A 17 1.808 7.556 -6.413 1.00 0.00 H new ATOM 0 HA GLU A 17 4.532 6.851 -6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.752 7.739 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.255 6.954 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.309 9.181 -6.128 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.125 9.573 -4.430 1.00 0.00 H new ATOM 243 N PHE A 18 2.591 4.663 -5.264 1.00 0.00 N ATOM 244 CA PHE A 18 2.499 3.266 -4.863 1.00 0.00 C ATOM 245 C PHE A 18 2.449 2.359 -6.087 1.00 0.00 C ATOM 246 O PHE A 18 3.090 1.310 -6.123 1.00 0.00 O ATOM 247 CB PHE A 18 1.268 3.036 -3.981 1.00 0.00 C ATOM 248 CG PHE A 18 1.354 1.814 -3.099 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.570 1.184 -2.853 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.210 1.296 -2.510 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.637 0.066 -2.043 1.00 0.00 C ATOM 252 CE2 PHE A 18 0.274 0.179 -1.699 1.00 0.00 C ATOM 253 CZ PHE A 18 1.488 -0.437 -1.465 1.00 0.00 C ATOM 0 H PHE A 18 1.734 5.199 -5.132 1.00 0.00 H new ATOM 0 HA PHE A 18 3.389 3.020 -4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.117 3.913 -3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.389 2.947 -4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.473 1.573 -3.300 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.743 1.772 -2.688 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.587 -0.414 -1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.626 -0.213 -1.248 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.539 -1.310 -0.831 1.00 0.00 H new ATOM 263 N SER A 19 1.684 2.778 -7.091 1.00 0.00 N ATOM 264 CA SER A 19 1.550 2.010 -8.323 1.00 0.00 C ATOM 265 C SER A 19 2.916 1.745 -8.946 1.00 0.00 C ATOM 266 O SER A 19 3.222 0.618 -9.334 1.00 0.00 O ATOM 267 CB SER A 19 0.656 2.754 -9.317 1.00 0.00 C ATOM 268 OG SER A 19 -0.712 2.616 -8.974 1.00 0.00 O ATOM 0 H SER A 19 1.148 3.645 -7.075 1.00 0.00 H new ATOM 0 HA SER A 19 1.090 1.052 -8.080 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.925 3.810 -9.334 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.823 2.367 -10.322 1.00 0.00 H new ATOM 0 HG SER A 19 -0.944 3.273 -8.285 1.00 0.00 H new ATOM 274 N VAL A 20 3.735 2.789 -9.035 1.00 0.00 N ATOM 275 CA VAL A 20 5.069 2.664 -9.606 1.00 0.00 C ATOM 276 C VAL A 20 5.970 1.824 -8.708 1.00 0.00 C ATOM 277 O VAL A 20 6.695 0.951 -9.183 1.00 0.00 O ATOM 278 CB VAL A 20 5.721 4.043 -9.830 1.00 0.00 C ATOM 279 CG1 VAL A 20 7.069 3.894 -10.520 1.00 0.00 C ATOM 280 CG2 VAL A 20 4.800 4.945 -10.637 1.00 0.00 C ATOM 0 H VAL A 20 3.497 3.729 -8.719 1.00 0.00 H new ATOM 0 HA VAL A 20 4.956 2.169 -10.570 1.00 0.00 H new ATOM 0 HB VAL A 20 5.886 4.506 -8.857 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.512 4.879 -10.669 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.730 3.288 -9.900 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.932 3.408 -11.486 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.277 5.914 -10.785 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.600 4.487 -11.606 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.862 5.081 -10.099 1.00 0.00 H new ATOM 290 N LEU A 21 5.917 2.091 -7.407 1.00 0.00 N ATOM 291 CA LEU A 21 6.729 1.355 -6.445 1.00 0.00 C ATOM 292 C LEU A 21 6.407 -0.136 -6.492 1.00 0.00 C ATOM 293 O LEU A 21 7.306 -0.978 -6.436 1.00 0.00 O ATOM 294 CB LEU A 21 6.497 1.897 -5.032 1.00 0.00 C ATOM 295 CG LEU A 21 7.445 1.348 -3.964 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.862 1.848 -4.200 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.962 1.742 -2.576 1.00 0.00 C ATOM 0 H LEU A 21 5.322 2.810 -6.996 1.00 0.00 H new ATOM 0 HA LEU A 21 7.778 1.490 -6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.591 2.983 -5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.472 1.672 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 21 7.451 0.260 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.522 1.447 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.206 1.518 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.875 2.937 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.646 1.345 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.929 2.829 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.965 1.335 -2.409 1.00 0.00 H new ATOM 309 N LEU A 22 5.121 -0.456 -6.593 1.00 0.00 N ATOM 310 CA LEU A 22 4.674 -1.844 -6.648 1.00 0.00 C ATOM 311 C LEU A 22 4.932 -2.455 -8.026 1.00 0.00 C ATOM 312 O LEU A 22 5.402 -3.587 -8.136 1.00 0.00 O ATOM 313 CB LEU A 22 3.182 -1.933 -6.320 1.00 0.00 C ATOM 314 CG LEU A 22 2.771 -1.303 -4.988 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.339 -0.795 -5.059 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.927 -2.307 -3.857 1.00 0.00 C ATOM 0 H LEU A 22 4.367 0.230 -6.639 1.00 0.00 H new ATOM 0 HA LEU A 22 5.244 -2.406 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.621 -1.451 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.890 -2.983 -6.313 1.00 0.00 H new ATOM 0 HG LEU A 22 3.426 -0.455 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.063 -0.350 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.258 -0.045 -5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.669 -1.626 -5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.631 -1.844 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.295 -3.174 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.968 -2.624 -3.793 1.00 0.00 H new ATOM 328 N ASN A 23 4.609 -1.698 -9.073 1.00 0.00 N ATOM 329 CA ASN A 23 4.790 -2.161 -10.447 1.00 0.00 C ATOM 330 C ASN A 23 6.255 -2.459 -10.762 1.00 0.00 C ATOM 331 O ASN A 23 6.557 -3.126 -11.753 1.00 0.00 O ATOM 332 CB ASN A 23 4.252 -1.121 -11.431 1.00 0.00 C ATOM 333 CG ASN A 23 4.070 -1.686 -12.827 1.00 0.00 C ATOM 334 OD1 ASN A 23 3.479 -2.752 -13.004 1.00 0.00 O ATOM 335 ND2 ASN A 23 4.579 -0.975 -13.826 1.00 0.00 N ATOM 0 H ASN A 23 4.219 -0.759 -8.995 1.00 0.00 H new ATOM 0 HA ASN A 23 4.230 -3.090 -10.552 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.297 -0.741 -11.068 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.937 -0.274 -11.471 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.488 -1.307 -14.786 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.061 -0.097 -13.633 1.00 0.00 H new ATOM 342 N GLN A 24 7.163 -1.963 -9.927 1.00 0.00 N ATOM 343 CA GLN A 24 8.592 -2.181 -10.138 1.00 0.00 C ATOM 344 C GLN A 24 9.052 -3.523 -9.563 1.00 0.00 C ATOM 345 O GLN A 24 10.243 -3.723 -9.322 1.00 0.00 O ATOM 346 CB GLN A 24 9.397 -1.043 -9.506 1.00 0.00 C ATOM 347 CG GLN A 24 9.617 0.137 -10.439 1.00 0.00 C ATOM 348 CD GLN A 24 10.251 1.323 -9.740 1.00 0.00 C ATOM 349 OE1 GLN A 24 11.452 1.562 -9.864 1.00 0.00 O ATOM 350 NE2 GLN A 24 9.446 2.074 -8.997 1.00 0.00 N ATOM 0 H GLN A 24 6.937 -1.409 -9.101 1.00 0.00 H new ATOM 0 HA GLN A 24 8.767 -2.200 -11.214 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.880 -0.697 -8.611 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.365 -1.428 -9.186 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.253 -0.174 -11.268 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.661 0.440 -10.867 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.456 1.840 -8.922 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.818 2.885 -8.502 1.00 0.00 H new ATOM 359 N GLN A 25 8.110 -4.439 -9.337 1.00 0.00 N ATOM 360 CA GLN A 25 8.438 -5.751 -8.783 1.00 0.00 C ATOM 361 C GLN A 25 8.369 -6.846 -9.846 1.00 0.00 C ATOM 362 O GLN A 25 7.490 -6.837 -10.708 1.00 0.00 O ATOM 363 CB GLN A 25 7.485 -6.093 -7.638 1.00 0.00 C ATOM 364 CG GLN A 25 8.006 -5.686 -6.271 1.00 0.00 C ATOM 365 CD GLN A 25 8.657 -6.838 -5.530 1.00 0.00 C ATOM 366 OE1 GLN A 25 8.789 -7.939 -6.065 1.00 0.00 O ATOM 367 NE2 GLN A 25 9.071 -6.590 -4.294 1.00 0.00 N ATOM 0 H GLN A 25 7.118 -4.297 -9.528 1.00 0.00 H new ATOM 0 HA GLN A 25 9.461 -5.702 -8.410 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.528 -5.602 -7.814 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.297 -7.167 -7.641 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.729 -4.878 -6.387 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.183 -5.294 -5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.942 -5.663 -3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.519 -7.327 -3.749 1.00 0.00 H new ATOM 376 N VAL A 26 9.298 -7.794 -9.763 1.00 0.00 N ATOM 377 CA VAL A 26 9.347 -8.914 -10.699 1.00 0.00 C ATOM 378 C VAL A 26 9.692 -10.211 -9.971 1.00 0.00 C ATOM 379 O VAL A 26 10.855 -10.463 -9.660 1.00 0.00 O ATOM 380 CB VAL A 26 10.383 -8.668 -11.810 1.00 0.00 C ATOM 381 CG1 VAL A 26 9.876 -7.614 -12.782 1.00 0.00 C ATOM 382 CG2 VAL A 26 11.721 -8.256 -11.212 1.00 0.00 C ATOM 0 H VAL A 26 10.031 -7.809 -9.054 1.00 0.00 H new ATOM 0 HA VAL A 26 8.359 -9.002 -11.151 1.00 0.00 H new ATOM 0 HB VAL A 26 10.531 -9.597 -12.360 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.620 -7.451 -13.562 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.944 -7.954 -13.234 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.700 -6.681 -12.247 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.441 -8.086 -12.013 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.595 -7.339 -10.637 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.086 -9.047 -10.558 1.00 0.00 H new ATOM 392 N PHE A 27 8.677 -11.020 -9.676 1.00 0.00 N ATOM 393 CA PHE A 27 8.890 -12.274 -8.958 1.00 0.00 C ATOM 394 C PHE A 27 9.422 -13.384 -9.867 1.00 0.00 C ATOM 395 O PHE A 27 9.083 -13.466 -11.047 1.00 0.00 O ATOM 396 CB PHE A 27 7.600 -12.729 -8.272 1.00 0.00 C ATOM 397 CG PHE A 27 6.844 -11.604 -7.620 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.420 -10.871 -6.595 1.00 0.00 C ATOM 399 CD2 PHE A 27 5.563 -11.278 -8.035 1.00 0.00 C ATOM 400 CE1 PHE A 27 6.732 -9.835 -5.994 1.00 0.00 C ATOM 401 CE2 PHE A 27 4.870 -10.241 -7.438 1.00 0.00 C ATOM 402 CZ PHE A 27 5.456 -9.519 -6.417 1.00 0.00 C ATOM 0 H PHE A 27 7.705 -10.831 -9.921 1.00 0.00 H new ATOM 0 HA PHE A 27 9.651 -12.079 -8.202 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.956 -13.212 -9.007 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.842 -13.479 -7.519 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.419 -11.113 -6.262 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.101 -11.840 -8.833 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.191 -9.273 -5.194 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.872 -9.996 -7.770 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.917 -8.708 -5.950 1.00 0.00 H new ATOM 412 N ASN A 28 10.266 -14.229 -9.279 1.00 0.00 N ATOM 413 CA ASN A 28 10.898 -15.360 -9.962 1.00 0.00 C ATOM 414 C ASN A 28 12.121 -15.776 -9.155 1.00 0.00 C ATOM 415 O ASN A 28 12.307 -16.946 -8.822 1.00 0.00 O ATOM 416 CB ASN A 28 11.304 -15.000 -11.396 1.00 0.00 C ATOM 417 CG ASN A 28 11.923 -13.619 -11.504 1.00 0.00 C ATOM 418 OD1 ASN A 28 12.150 -12.948 -10.498 1.00 0.00 O ATOM 419 ND2 ASN A 28 12.199 -13.190 -12.730 1.00 0.00 N ATOM 0 H ASN A 28 10.536 -14.147 -8.299 1.00 0.00 H new ATOM 0 HA ASN A 28 10.185 -16.182 -10.030 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.014 -15.741 -11.764 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.427 -15.051 -12.041 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.617 -12.269 -12.866 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.993 -13.781 -13.535 1.00 0.00 H new ATOM 426 N ASP A 29 12.940 -14.780 -8.841 1.00 0.00 N ATOM 427 CA ASP A 29 14.151 -14.997 -8.062 1.00 0.00 C ATOM 428 C ASP A 29 13.798 -15.087 -6.577 1.00 0.00 C ATOM 429 O ASP A 29 12.915 -14.376 -6.099 1.00 0.00 O ATOM 430 CB ASP A 29 15.162 -13.869 -8.298 1.00 0.00 C ATOM 431 CG ASP A 29 14.518 -12.496 -8.304 1.00 0.00 C ATOM 432 OD1 ASP A 29 13.333 -12.393 -7.922 1.00 0.00 O ATOM 433 OD2 ASP A 29 15.198 -11.523 -8.692 1.00 0.00 O ATOM 0 H ASP A 29 12.786 -13.810 -9.116 1.00 0.00 H new ATOM 0 HA ASP A 29 14.608 -15.933 -8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.926 -13.904 -7.522 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.667 -14.033 -9.250 1.00 0.00 H new ATOM 438 N PRO A 30 14.468 -15.986 -5.831 1.00 0.00 N ATOM 439 CA PRO A 30 14.211 -16.194 -4.401 1.00 0.00 C ATOM 440 C PRO A 30 13.929 -14.903 -3.632 1.00 0.00 C ATOM 441 O PRO A 30 13.203 -14.923 -2.639 1.00 0.00 O ATOM 442 CB PRO A 30 15.509 -16.836 -3.921 1.00 0.00 C ATOM 443 CG PRO A 30 15.990 -17.626 -5.091 1.00 0.00 C ATOM 444 CD PRO A 30 15.525 -16.894 -6.327 1.00 0.00 C ATOM 0 HA PRO A 30 13.317 -16.795 -4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.238 -16.082 -3.624 1.00 0.00 H new ATOM 0 HB3 PRO A 30 15.339 -17.474 -3.054 1.00 0.00 H new ATOM 0 HG2 PRO A 30 17.076 -17.714 -5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.588 -18.639 -5.066 1.00 0.00 H new ATOM 0 HD2 PRO A 30 16.340 -16.340 -6.793 1.00 0.00 H new ATOM 0 HD3 PRO A 30 15.138 -17.584 -7.077 1.00 0.00 H new ATOM 452 N LEU A 31 14.473 -13.784 -4.114 1.00 0.00 N ATOM 453 CA LEU A 31 14.264 -12.469 -3.496 1.00 0.00 C ATOM 454 C LEU A 31 14.251 -12.517 -1.962 1.00 0.00 C ATOM 455 O LEU A 31 14.311 -13.582 -1.351 1.00 0.00 O ATOM 456 CB LEU A 31 12.952 -11.860 -4.004 1.00 0.00 C ATOM 457 CG LEU A 31 13.104 -10.572 -4.817 1.00 0.00 C ATOM 458 CD1 LEU A 31 14.184 -10.731 -5.878 1.00 0.00 C ATOM 459 CD2 LEU A 31 11.779 -10.185 -5.456 1.00 0.00 C ATOM 0 H LEU A 31 15.069 -13.761 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 31 15.111 -11.847 -3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 31 12.440 -12.601 -4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.309 -11.657 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 31 13.406 -9.773 -4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.276 -9.805 -6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.135 -10.959 -5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.915 -11.544 -6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.906 -9.267 -6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.447 -10.984 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.033 -10.026 -4.678 1.00 0.00 H new ATOM 471 N VAL A 32 14.197 -11.337 -1.350 1.00 0.00 N ATOM 472 CA VAL A 32 14.194 -11.209 0.104 1.00 0.00 C ATOM 473 C VAL A 32 13.001 -11.931 0.735 1.00 0.00 C ATOM 474 O VAL A 32 11.999 -12.201 0.074 1.00 0.00 O ATOM 475 CB VAL A 32 14.180 -9.716 0.523 1.00 0.00 C ATOM 476 CG1 VAL A 32 13.266 -8.902 -0.382 1.00 0.00 C ATOM 477 CG2 VAL A 32 13.777 -9.548 1.975 1.00 0.00 C ATOM 0 H VAL A 32 14.154 -10.446 -1.846 1.00 0.00 H new ATOM 0 HA VAL A 32 15.108 -11.678 0.469 1.00 0.00 H new ATOM 0 HB VAL A 32 15.197 -9.340 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.275 -7.859 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.617 -8.972 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.250 -9.291 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 32 13.778 -8.489 2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.778 -9.957 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.485 -10.078 2.613 1.00 0.00 H new ATOM 487 N SER A 33 13.134 -12.245 2.023 1.00 0.00 N ATOM 488 CA SER A 33 12.088 -12.942 2.765 1.00 0.00 C ATOM 489 C SER A 33 10.841 -12.079 2.920 1.00 0.00 C ATOM 490 O SER A 33 10.883 -10.862 2.739 1.00 0.00 O ATOM 491 CB SER A 33 12.607 -13.348 4.146 1.00 0.00 C ATOM 492 OG SER A 33 13.180 -12.241 4.820 1.00 0.00 O ATOM 0 H SER A 33 13.962 -12.025 2.576 1.00 0.00 H new ATOM 0 HA SER A 33 11.816 -13.832 2.198 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.789 -13.756 4.740 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.350 -14.138 4.041 1.00 0.00 H new ATOM 0 HG SER A 33 13.503 -12.525 5.701 1.00 0.00 H new ATOM 498 N GLU A 34 9.729 -12.726 3.252 1.00 0.00 N ATOM 499 CA GLU A 34 8.459 -12.034 3.429 1.00 0.00 C ATOM 500 C GLU A 34 8.511 -11.072 4.605 1.00 0.00 C ATOM 501 O GLU A 34 7.817 -10.059 4.611 1.00 0.00 O ATOM 502 CB GLU A 34 7.328 -13.041 3.649 1.00 0.00 C ATOM 503 CG GLU A 34 7.053 -13.930 2.450 1.00 0.00 C ATOM 504 CD GLU A 34 6.333 -13.201 1.334 1.00 0.00 C ATOM 505 OE1 GLU A 34 5.533 -12.290 1.638 1.00 0.00 O ATOM 506 OE2 GLU A 34 6.568 -13.540 0.156 1.00 0.00 O ATOM 0 H GLU A 34 9.683 -13.733 3.404 1.00 0.00 H new ATOM 0 HA GLU A 34 8.269 -11.463 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.575 -13.669 4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.417 -12.499 3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.996 -14.324 2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.454 -14.784 2.766 1.00 0.00 H new ATOM 513 N GLU A 35 9.320 -11.393 5.605 1.00 0.00 N ATOM 514 CA GLU A 35 9.432 -10.552 6.788 1.00 0.00 C ATOM 515 C GLU A 35 10.088 -9.213 6.476 1.00 0.00 C ATOM 516 O GLU A 35 9.702 -8.188 7.040 1.00 0.00 O ATOM 517 CB GLU A 35 10.224 -11.279 7.876 1.00 0.00 C ATOM 518 CG GLU A 35 10.095 -10.644 9.252 1.00 0.00 C ATOM 519 CD GLU A 35 9.377 -11.538 10.242 1.00 0.00 C ATOM 520 OE1 GLU A 35 9.911 -12.621 10.561 1.00 0.00 O ATOM 521 OE2 GLU A 35 8.279 -11.155 10.701 1.00 0.00 O ATOM 0 H GLU A 35 9.907 -12.227 5.621 1.00 0.00 H new ATOM 0 HA GLU A 35 8.421 -10.350 7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.886 -12.314 7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.276 -11.302 7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.088 -10.409 9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.557 -9.700 9.163 1.00 0.00 H new ATOM 528 N ASP A 36 11.073 -9.204 5.579 1.00 0.00 N ATOM 529 CA ASP A 36 11.734 -7.955 5.234 1.00 0.00 C ATOM 530 C ASP A 36 10.858 -7.137 4.296 1.00 0.00 C ATOM 531 O ASP A 36 10.693 -5.932 4.478 1.00 0.00 O ATOM 532 CB ASP A 36 13.104 -8.216 4.620 1.00 0.00 C ATOM 533 CG ASP A 36 14.231 -8.022 5.617 1.00 0.00 C ATOM 534 OD1 ASP A 36 14.529 -6.858 5.957 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.813 -9.035 6.059 1.00 0.00 O ATOM 0 H ASP A 36 11.422 -10.029 5.090 1.00 0.00 H new ATOM 0 HA ASP A 36 11.887 -7.380 6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.137 -9.234 4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.253 -7.547 3.773 1.00 0.00 H new ATOM 540 N MET A 37 10.269 -7.805 3.308 1.00 0.00 N ATOM 541 CA MET A 37 9.382 -7.126 2.371 1.00 0.00 C ATOM 542 C MET A 37 8.180 -6.590 3.139 1.00 0.00 C ATOM 543 O MET A 37 7.821 -5.417 3.024 1.00 0.00 O ATOM 544 CB MET A 37 8.923 -8.090 1.271 1.00 0.00 C ATOM 545 CG MET A 37 7.829 -7.530 0.372 1.00 0.00 C ATOM 546 SD MET A 37 8.315 -7.468 -1.363 1.00 0.00 S ATOM 547 CE MET A 37 9.006 -5.819 -1.462 1.00 0.00 C ATOM 0 H MET A 37 10.388 -8.804 3.137 1.00 0.00 H new ATOM 0 HA MET A 37 9.914 -6.302 1.895 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.782 -8.358 0.656 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.563 -9.009 1.734 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.933 -8.143 0.472 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.567 -6.526 0.708 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.322 -5.170 -2.008 1.00 0.00 H new ATOM 0 HE2 MET A 37 9.154 -5.426 -0.456 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.963 -5.856 -1.982 1.00 0.00 H new ATOM 557 N VAL A 38 7.563 -7.471 3.920 1.00 0.00 N ATOM 558 CA VAL A 38 6.397 -7.117 4.713 1.00 0.00 C ATOM 559 C VAL A 38 6.694 -5.918 5.609 1.00 0.00 C ATOM 560 O VAL A 38 5.917 -4.968 5.650 1.00 0.00 O ATOM 561 CB VAL A 38 5.941 -8.315 5.581 1.00 0.00 C ATOM 562 CG1 VAL A 38 5.054 -7.874 6.736 1.00 0.00 C ATOM 563 CG2 VAL A 38 5.230 -9.351 4.723 1.00 0.00 C ATOM 0 H VAL A 38 7.856 -8.443 4.019 1.00 0.00 H new ATOM 0 HA VAL A 38 5.595 -6.852 4.024 1.00 0.00 H new ATOM 0 HB VAL A 38 6.834 -8.767 6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.756 -8.745 7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.604 -7.181 7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.165 -7.379 6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.916 -10.187 5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.356 -8.898 4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.909 -9.711 3.950 1.00 0.00 H new ATOM 573 N THR A 39 7.816 -5.956 6.324 1.00 0.00 N ATOM 574 CA THR A 39 8.183 -4.853 7.206 1.00 0.00 C ATOM 575 C THR A 39 8.370 -3.564 6.413 1.00 0.00 C ATOM 576 O THR A 39 8.035 -2.479 6.888 1.00 0.00 O ATOM 577 CB THR A 39 9.464 -5.186 7.973 1.00 0.00 C ATOM 578 OG1 THR A 39 9.303 -6.375 8.727 1.00 0.00 O ATOM 579 CG2 THR A 39 9.892 -4.092 8.928 1.00 0.00 C ATOM 0 H THR A 39 8.480 -6.730 6.310 1.00 0.00 H new ATOM 0 HA THR A 39 7.372 -4.706 7.919 1.00 0.00 H new ATOM 0 HB THR A 39 10.234 -5.303 7.211 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.074 -7.115 8.126 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.807 -4.393 9.439 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.073 -3.173 8.371 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.105 -3.922 9.663 1.00 0.00 H new ATOM 587 N VAL A 40 8.890 -3.689 5.196 1.00 0.00 N ATOM 588 CA VAL A 40 9.097 -2.529 4.339 1.00 0.00 C ATOM 589 C VAL A 40 7.754 -1.997 3.857 1.00 0.00 C ATOM 590 O VAL A 40 7.537 -0.787 3.786 1.00 0.00 O ATOM 591 CB VAL A 40 9.984 -2.869 3.124 1.00 0.00 C ATOM 592 CG1 VAL A 40 10.210 -1.637 2.259 1.00 0.00 C ATOM 593 CG2 VAL A 40 11.312 -3.455 3.580 1.00 0.00 C ATOM 0 H VAL A 40 9.174 -4.578 4.783 1.00 0.00 H new ATOM 0 HA VAL A 40 9.609 -1.768 4.928 1.00 0.00 H new ATOM 0 HB VAL A 40 9.467 -3.616 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.838 -1.900 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.251 -1.263 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.703 -0.864 2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.925 -3.689 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.833 -2.731 4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.131 -4.365 4.151 1.00 0.00 H new ATOM 603 N VAL A 41 6.851 -2.920 3.545 1.00 0.00 N ATOM 604 CA VAL A 41 5.517 -2.562 3.089 1.00 0.00 C ATOM 605 C VAL A 41 4.744 -1.873 4.208 1.00 0.00 C ATOM 606 O VAL A 41 4.155 -0.811 4.012 1.00 0.00 O ATOM 607 CB VAL A 41 4.740 -3.811 2.624 1.00 0.00 C ATOM 608 CG1 VAL A 41 3.366 -3.433 2.100 1.00 0.00 C ATOM 609 CG2 VAL A 41 5.531 -4.568 1.566 1.00 0.00 C ATOM 0 H VAL A 41 7.021 -3.924 3.600 1.00 0.00 H new ATOM 0 HA VAL A 41 5.623 -1.879 2.246 1.00 0.00 H new ATOM 0 HB VAL A 41 4.602 -4.465 3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.839 -4.332 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.798 -2.942 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.473 -2.754 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.968 -5.446 1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.704 -3.919 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.488 -4.882 1.982 1.00 0.00 H new ATOM 619 N GLU A 42 4.761 -2.490 5.387 1.00 0.00 N ATOM 620 CA GLU A 42 4.071 -1.944 6.550 1.00 0.00 C ATOM 621 C GLU A 42 4.567 -0.533 6.850 1.00 0.00 C ATOM 622 O GLU A 42 3.773 0.399 6.985 1.00 0.00 O ATOM 623 CB GLU A 42 4.286 -2.849 7.766 1.00 0.00 C ATOM 624 CG GLU A 42 2.992 -3.347 8.388 1.00 0.00 C ATOM 625 CD GLU A 42 3.033 -3.334 9.904 1.00 0.00 C ATOM 626 OE1 GLU A 42 2.668 -2.298 10.499 1.00 0.00 O ATOM 627 OE2 GLU A 42 3.428 -4.361 10.496 1.00 0.00 O ATOM 0 H GLU A 42 5.246 -3.370 5.561 1.00 0.00 H new ATOM 0 HA GLU A 42 3.004 -1.898 6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.890 -3.706 7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.855 -2.304 8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.165 -2.725 8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.793 -4.361 8.042 1.00 0.00 H new ATOM 634 N ASP A 43 5.884 -0.383 6.949 1.00 0.00 N ATOM 635 CA ASP A 43 6.487 0.916 7.228 1.00 0.00 C ATOM 636 C ASP A 43 6.025 1.954 6.212 1.00 0.00 C ATOM 637 O ASP A 43 5.709 3.090 6.570 1.00 0.00 O ATOM 638 CB ASP A 43 8.014 0.808 7.212 1.00 0.00 C ATOM 639 CG ASP A 43 8.596 0.629 8.599 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.572 1.602 9.383 1.00 0.00 O ATOM 641 OD2 ASP A 43 9.077 -0.484 8.903 1.00 0.00 O ATOM 0 H ASP A 43 6.554 -1.144 6.840 1.00 0.00 H new ATOM 0 HA ASP A 43 6.166 1.236 8.219 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.309 -0.034 6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.434 1.706 6.758 1.00 0.00 H new ATOM 646 N TRP A 44 6.001 1.564 4.940 1.00 0.00 N ATOM 647 CA TRP A 44 5.592 2.484 3.886 1.00 0.00 C ATOM 648 C TRP A 44 4.161 2.958 4.121 1.00 0.00 C ATOM 649 O TRP A 44 3.881 4.156 4.073 1.00 0.00 O ATOM 650 CB TRP A 44 5.697 1.805 2.517 1.00 0.00 C ATOM 651 CG TRP A 44 7.104 1.695 2.010 1.00 0.00 C ATOM 652 CD1 TRP A 44 8.200 2.369 2.468 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.563 0.859 0.943 1.00 0.00 C ATOM 654 NE1 TRP A 44 9.313 2.002 1.751 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.948 1.075 0.808 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.938 -0.052 0.087 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.716 0.413 -0.147 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.701 -0.709 -0.859 1.00 0.00 C ATOM 659 CH2 TRP A 44 9.077 -0.473 -0.970 1.00 0.00 C ATOM 0 H TRP A 44 6.256 0.630 4.618 1.00 0.00 H new ATOM 0 HA TRP A 44 6.257 3.347 3.905 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.263 0.807 2.581 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.102 2.365 1.796 1.00 0.00 H new ATOM 0 HD1 TRP A 44 8.193 3.086 3.276 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.257 2.360 1.896 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.877 -0.239 0.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.777 0.593 -0.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 7.228 -1.417 -1.524 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.645 -1.002 -1.721 1.00 0.00 H new ATOM 670 N MET A 45 3.256 2.017 4.373 1.00 0.00 N ATOM 671 CA MET A 45 1.857 2.350 4.611 1.00 0.00 C ATOM 672 C MET A 45 1.711 3.257 5.829 1.00 0.00 C ATOM 673 O MET A 45 0.830 4.116 5.872 1.00 0.00 O ATOM 674 CB MET A 45 1.039 1.072 4.818 1.00 0.00 C ATOM 675 CG MET A 45 0.317 0.599 3.568 1.00 0.00 C ATOM 676 SD MET A 45 -0.915 -0.670 3.922 1.00 0.00 S ATOM 677 CE MET A 45 0.129 -2.018 4.468 1.00 0.00 C ATOM 0 H MET A 45 3.467 1.020 4.417 1.00 0.00 H new ATOM 0 HA MET A 45 1.482 2.882 3.736 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.702 0.280 5.166 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.307 1.244 5.607 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.169 1.449 3.089 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.045 0.206 2.858 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.251 -2.958 4.067 1.00 0.00 H new ATOM 0 HE2 MET A 45 1.147 -1.857 4.112 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.128 -2.061 5.557 1.00 0.00 H new ATOM 687 N ASN A 46 2.575 3.059 6.820 1.00 0.00 N ATOM 688 CA ASN A 46 2.531 3.861 8.037 1.00 0.00 C ATOM 689 C ASN A 46 3.033 5.278 7.782 1.00 0.00 C ATOM 690 O ASN A 46 2.578 6.232 8.418 1.00 0.00 O ATOM 691 CB ASN A 46 3.359 3.201 9.141 1.00 0.00 C ATOM 692 CG ASN A 46 2.521 2.315 10.043 1.00 0.00 C ATOM 693 OD1 ASN A 46 2.058 2.745 11.099 1.00 0.00 O ATOM 694 ND2 ASN A 46 2.323 1.069 9.629 1.00 0.00 N ATOM 0 H ASN A 46 3.311 2.353 6.804 1.00 0.00 H new ATOM 0 HA ASN A 46 1.492 3.921 8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.153 2.607 8.689 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.840 3.973 9.741 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.768 0.426 10.194 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.726 0.755 8.746 1.00 0.00 H new ATOM 701 N PHE A 47 3.965 5.425 6.846 1.00 0.00 N ATOM 702 CA PHE A 47 4.488 6.746 6.530 1.00 0.00 C ATOM 703 C PHE A 47 3.444 7.537 5.768 1.00 0.00 C ATOM 704 O PHE A 47 3.263 8.724 6.009 1.00 0.00 O ATOM 705 CB PHE A 47 5.809 6.651 5.744 1.00 0.00 C ATOM 706 CG PHE A 47 5.739 7.119 4.308 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.651 8.473 3.993 1.00 0.00 C ATOM 708 CD2 PHE A 47 5.775 6.200 3.271 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.601 8.889 2.677 1.00 0.00 C ATOM 710 CE2 PHE A 47 5.726 6.615 1.954 1.00 0.00 C ATOM 711 CZ PHE A 47 5.639 7.960 1.657 1.00 0.00 C ATOM 0 H PHE A 47 4.367 4.661 6.303 1.00 0.00 H new ATOM 0 HA PHE A 47 4.711 7.269 7.460 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.566 7.238 6.264 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.146 5.615 5.756 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.622 9.205 4.786 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.842 5.146 3.495 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.532 9.942 2.446 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.756 5.887 1.157 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.601 8.285 0.628 1.00 0.00 H new ATOM 721 N TYR A 48 2.743 6.866 4.867 1.00 0.00 N ATOM 722 CA TYR A 48 1.700 7.517 4.093 1.00 0.00 C ATOM 723 C TYR A 48 0.582 7.975 5.013 1.00 0.00 C ATOM 724 O TYR A 48 0.132 9.113 4.937 1.00 0.00 O ATOM 725 CB TYR A 48 1.143 6.566 3.032 1.00 0.00 C ATOM 726 CG TYR A 48 2.066 6.342 1.856 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.478 7.402 1.059 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.520 5.068 1.538 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.315 7.199 -0.021 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.358 4.857 0.460 1.00 0.00 C ATOM 731 CZ TYR A 48 3.752 5.926 -0.317 1.00 0.00 C ATOM 732 OH TYR A 48 4.585 5.721 -1.392 1.00 0.00 O ATOM 0 H TYR A 48 2.877 5.877 4.655 1.00 0.00 H new ATOM 0 HA TYR A 48 2.131 8.383 3.591 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.927 5.605 3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.196 6.962 2.666 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.138 8.401 1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.213 4.228 2.144 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.626 8.034 -0.631 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.703 3.860 0.227 1.00 0.00 H new ATOM 0 HH TYR A 48 4.801 4.768 -1.461 1.00 0.00 H new ATOM 742 N ILE A 49 0.125 7.077 5.872 1.00 0.00 N ATOM 743 CA ILE A 49 -0.953 7.395 6.792 1.00 0.00 C ATOM 744 C ILE A 49 -0.614 8.607 7.667 1.00 0.00 C ATOM 745 O ILE A 49 -1.410 9.545 7.770 1.00 0.00 O ATOM 746 CB ILE A 49 -1.314 6.190 7.692 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.554 6.503 8.526 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.153 5.812 8.590 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.141 5.293 9.218 1.00 0.00 C ATOM 0 H ILE A 49 0.483 6.125 5.950 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.818 7.641 6.176 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.531 5.339 7.047 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.297 7.251 9.276 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.313 6.946 7.881 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.435 4.962 9.211 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.708 5.544 7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.104 6.658 9.227 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.019 5.592 9.791 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.430 4.552 8.473 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.398 4.862 9.889 1.00 0.00 H new ATOM 761 N ASN A 50 0.563 8.593 8.301 1.00 0.00 N ATOM 762 CA ASN A 50 0.960 9.701 9.168 1.00 0.00 C ATOM 763 C ASN A 50 1.363 10.943 8.369 1.00 0.00 C ATOM 764 O ASN A 50 1.149 12.071 8.811 1.00 0.00 O ATOM 765 CB ASN A 50 2.093 9.269 10.110 1.00 0.00 C ATOM 766 CG ASN A 50 3.468 9.347 9.476 1.00 0.00 C ATOM 767 OD1 ASN A 50 4.060 8.328 9.130 1.00 0.00 O ATOM 768 ND2 ASN A 50 3.989 10.560 9.333 1.00 0.00 N ATOM 0 H ASN A 50 1.246 7.839 8.231 1.00 0.00 H new ATOM 0 HA ASN A 50 0.090 9.973 9.766 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.075 9.899 11.000 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.911 8.246 10.440 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.916 10.672 8.922 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.462 11.380 9.634 1.00 0.00 H new ATOM 775 N TYR A 51 1.961 10.729 7.203 1.00 0.00 N ATOM 776 CA TYR A 51 2.413 11.829 6.357 1.00 0.00 C ATOM 777 C TYR A 51 1.242 12.549 5.691 1.00 0.00 C ATOM 778 O TYR A 51 1.167 13.776 5.702 1.00 0.00 O ATOM 779 CB TYR A 51 3.376 11.278 5.305 1.00 0.00 C ATOM 780 CG TYR A 51 3.771 12.254 4.228 1.00 0.00 C ATOM 781 CD1 TYR A 51 3.965 13.599 4.502 1.00 0.00 C ATOM 782 CD2 TYR A 51 3.959 11.813 2.929 1.00 0.00 C ATOM 783 CE1 TYR A 51 4.335 14.480 3.503 1.00 0.00 C ATOM 784 CE2 TYR A 51 4.329 12.680 1.928 1.00 0.00 C ATOM 785 CZ TYR A 51 4.515 14.015 2.216 1.00 0.00 C ATOM 786 OH TYR A 51 4.883 14.888 1.218 1.00 0.00 O ATOM 0 H TYR A 51 2.145 9.802 6.820 1.00 0.00 H new ATOM 0 HA TYR A 51 2.923 12.564 6.979 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.279 10.930 5.808 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.917 10.408 4.835 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.825 13.963 5.509 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.812 10.768 2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.482 15.526 3.728 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.473 12.317 0.921 1.00 0.00 H new ATOM 0 HH TYR A 51 4.969 14.401 0.372 1.00 0.00 H new ATOM 796 N TYR A 52 0.340 11.775 5.109 1.00 0.00 N ATOM 797 CA TYR A 52 -0.825 12.330 4.427 1.00 0.00 C ATOM 798 C TYR A 52 -1.804 12.958 5.411 1.00 0.00 C ATOM 799 O TYR A 52 -2.347 14.030 5.148 1.00 0.00 O ATOM 800 CB TYR A 52 -1.537 11.250 3.614 1.00 0.00 C ATOM 801 CG TYR A 52 -0.866 10.943 2.295 1.00 0.00 C ATOM 802 CD1 TYR A 52 -0.442 11.962 1.450 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.656 9.630 1.898 1.00 0.00 C ATOM 804 CE1 TYR A 52 0.173 11.678 0.246 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.041 9.339 0.698 1.00 0.00 C ATOM 806 CZ TYR A 52 0.372 10.365 -0.125 1.00 0.00 C ATOM 807 OH TYR A 52 0.988 10.078 -1.322 1.00 0.00 O ATOM 0 H TYR A 52 0.390 10.756 5.094 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.466 13.110 3.755 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.589 10.337 4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.563 11.567 3.425 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.596 12.991 1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.979 8.823 2.539 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.496 12.480 -0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.116 8.312 0.404 1.00 0.00 H new ATOM 0 HH TYR A 52 1.711 9.434 -1.172 1.00 0.00 H new ATOM 817 N ARG A 53 -2.031 12.300 6.547 1.00 0.00 N ATOM 818 CA ARG A 53 -2.952 12.829 7.548 1.00 0.00 C ATOM 819 C ARG A 53 -2.562 14.250 7.947 1.00 0.00 C ATOM 820 O ARG A 53 -3.414 15.057 8.322 1.00 0.00 O ATOM 821 CB ARG A 53 -2.982 11.924 8.783 1.00 0.00 C ATOM 822 CG ARG A 53 -1.692 11.947 9.587 1.00 0.00 C ATOM 823 CD ARG A 53 -1.896 11.395 10.989 1.00 0.00 C ATOM 824 NE ARG A 53 -1.830 9.934 11.017 1.00 0.00 N ATOM 825 CZ ARG A 53 -1.264 9.229 11.998 1.00 0.00 C ATOM 826 NH1 ARG A 53 -0.725 9.840 13.047 1.00 0.00 N ATOM 827 NH2 ARG A 53 -1.243 7.905 11.931 1.00 0.00 N ATOM 0 H ARG A 53 -1.596 11.411 6.794 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.949 12.855 7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.807 12.229 9.427 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.186 10.901 8.468 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.931 11.361 9.072 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.319 12.969 9.649 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.136 11.805 11.654 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.864 11.722 11.370 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.243 9.422 10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.741 10.858 13.108 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.295 9.291 13.791 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.659 7.428 11.131 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.811 7.363 12.680 1.00 0.00 H new ATOM 841 N GLN A 54 -1.267 14.545 7.874 1.00 0.00 N ATOM 842 CA GLN A 54 -0.755 15.858 8.236 1.00 0.00 C ATOM 843 C GLN A 54 -0.440 16.697 6.991 1.00 0.00 C ATOM 844 O GLN A 54 -0.099 17.875 7.101 1.00 0.00 O ATOM 845 CB GLN A 54 0.497 15.689 9.111 1.00 0.00 C ATOM 846 CG GLN A 54 1.616 16.677 8.816 1.00 0.00 C ATOM 847 CD GLN A 54 2.783 16.541 9.774 1.00 0.00 C ATOM 848 OE1 GLN A 54 2.912 17.312 10.726 1.00 0.00 O ATOM 849 NE2 GLN A 54 3.642 15.560 9.525 1.00 0.00 N ATOM 0 H GLN A 54 -0.552 13.887 7.565 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.521 16.392 8.799 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.209 15.789 10.157 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.881 14.677 8.981 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.969 16.526 7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.223 17.692 8.870 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.496 14.945 8.725 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.448 15.421 10.134 1.00 0.00 H new ATOM 858 N GLN A 55 -0.549 16.092 5.810 1.00 0.00 N ATOM 859 CA GLN A 55 -0.263 16.793 4.561 1.00 0.00 C ATOM 860 C GLN A 55 -1.529 17.367 3.927 1.00 0.00 C ATOM 861 O GLN A 55 -1.452 18.233 3.056 1.00 0.00 O ATOM 862 CB GLN A 55 0.417 15.846 3.572 1.00 0.00 C ATOM 863 CG GLN A 55 1.007 16.552 2.362 1.00 0.00 C ATOM 864 CD GLN A 55 1.992 17.639 2.746 1.00 0.00 C ATOM 865 OE1 GLN A 55 1.974 18.735 2.186 1.00 0.00 O ATOM 866 NE2 GLN A 55 2.858 17.340 3.706 1.00 0.00 N ATOM 0 H GLN A 55 -0.833 15.119 5.692 1.00 0.00 H new ATOM 0 HA GLN A 55 0.402 17.623 4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.209 15.303 4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.308 15.106 3.233 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.507 15.821 1.727 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.201 16.988 1.772 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.837 16.419 4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.545 18.032 4.007 1.00 0.00 H new ATOM 927 N PRO A 60 -11.944 19.520 7.748 1.00 0.00 N ATOM 928 CA PRO A 60 -11.702 18.189 8.319 1.00 0.00 C ATOM 929 C PRO A 60 -12.356 17.077 7.508 1.00 0.00 C ATOM 930 O PRO A 60 -11.910 15.930 7.539 1.00 0.00 O ATOM 931 CB PRO A 60 -12.327 18.271 9.717 1.00 0.00 C ATOM 932 CG PRO A 60 -13.291 19.405 9.644 1.00 0.00 C ATOM 933 CD PRO A 60 -12.703 20.383 8.668 1.00 0.00 C ATOM 0 HA PRO A 60 -10.640 17.945 8.329 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.831 17.341 9.979 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.568 18.447 10.479 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -14.271 19.063 9.312 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.428 19.865 10.623 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.477 20.947 8.146 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.059 21.109 9.163 1.00 0.00 H new ATOM 941 N GLN A 61 -13.415 17.419 6.782 1.00 0.00 N ATOM 942 CA GLN A 61 -14.124 16.443 5.965 1.00 0.00 C ATOM 943 C GLN A 61 -13.262 15.987 4.792 1.00 0.00 C ATOM 944 O GLN A 61 -13.282 14.815 4.411 1.00 0.00 O ATOM 945 CB GLN A 61 -15.439 17.036 5.454 1.00 0.00 C ATOM 946 CG GLN A 61 -16.658 16.573 6.235 1.00 0.00 C ATOM 947 CD GLN A 61 -17.509 17.729 6.725 1.00 0.00 C ATOM 948 OE1 GLN A 61 -18.328 18.270 5.984 1.00 0.00 O ATOM 949 NE2 GLN A 61 -17.316 18.114 7.982 1.00 0.00 N ATOM 0 H GLN A 61 -13.800 18.363 6.743 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.344 15.575 6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.380 18.123 5.500 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.566 16.767 4.405 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -17.264 15.922 5.604 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -16.334 15.978 7.089 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -16.626 17.636 8.561 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.858 18.887 8.368 1.00 0.00 H new ATOM 958 N GLU A 62 -12.505 16.918 4.225 1.00 0.00 N ATOM 959 CA GLU A 62 -11.637 16.611 3.095 1.00 0.00 C ATOM 960 C GLU A 62 -10.517 15.669 3.513 1.00 0.00 C ATOM 961 O GLU A 62 -10.240 14.677 2.835 1.00 0.00 O ATOM 962 CB GLU A 62 -11.041 17.895 2.516 1.00 0.00 C ATOM 963 CG GLU A 62 -10.207 17.666 1.268 1.00 0.00 C ATOM 964 CD GLU A 62 -8.773 17.286 1.584 1.00 0.00 C ATOM 965 OE1 GLU A 62 -8.498 16.076 1.729 1.00 0.00 O ATOM 966 OE2 GLU A 62 -7.927 18.197 1.683 1.00 0.00 O ATOM 0 H GLU A 62 -12.474 17.891 4.529 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.240 16.120 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.849 18.588 2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.422 18.373 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.664 16.878 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.213 18.571 0.661 1.00 0.00 H new ATOM 973 N ARG A 63 -9.878 15.976 4.637 1.00 0.00 N ATOM 974 CA ARG A 63 -8.795 15.148 5.139 1.00 0.00 C ATOM 975 C ARG A 63 -9.313 13.756 5.474 1.00 0.00 C ATOM 976 O ARG A 63 -8.738 12.750 5.060 1.00 0.00 O ATOM 977 CB ARG A 63 -8.165 15.794 6.379 1.00 0.00 C ATOM 978 CG ARG A 63 -7.928 17.293 6.235 1.00 0.00 C ATOM 979 CD ARG A 63 -8.359 18.056 7.477 1.00 0.00 C ATOM 980 NE ARG A 63 -7.350 19.021 7.905 1.00 0.00 N ATOM 981 CZ ARG A 63 -7.381 19.656 9.075 1.00 0.00 C ATOM 982 NH1 ARG A 63 -8.357 19.416 9.944 1.00 0.00 N ATOM 983 NH2 ARG A 63 -6.433 20.532 9.379 1.00 0.00 N ATOM 0 H ARG A 63 -10.093 16.790 5.214 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.031 15.061 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.813 15.618 7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.215 15.303 6.590 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.871 17.477 6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.477 17.666 5.371 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.296 18.576 7.276 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.553 17.352 8.286 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.576 19.220 7.271 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.088 18.742 9.717 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.375 19.906 10.839 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.680 20.719 8.717 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.457 21.019 10.275 1.00 0.00 H new ATOM 997 N ASP A 64 -10.392 13.708 6.247 1.00 0.00 N ATOM 998 CA ASP A 64 -10.977 12.439 6.659 1.00 0.00 C ATOM 999 C ASP A 64 -11.306 11.553 5.459 1.00 0.00 C ATOM 1000 O ASP A 64 -11.066 10.346 5.496 1.00 0.00 O ATOM 1001 CB ASP A 64 -12.240 12.685 7.489 1.00 0.00 C ATOM 1002 CG ASP A 64 -12.223 11.934 8.806 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -12.266 10.686 8.777 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -12.168 12.593 9.865 1.00 0.00 O ATOM 0 H ASP A 64 -10.878 14.532 6.600 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.239 11.917 7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.341 13.753 7.684 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.114 12.382 6.913 1.00 0.00 H new ATOM 1009 N LYS A 65 -11.848 12.138 4.392 1.00 0.00 N ATOM 1010 CA LYS A 65 -12.189 11.365 3.202 1.00 0.00 C ATOM 1011 C LYS A 65 -10.930 10.916 2.469 1.00 0.00 C ATOM 1012 O LYS A 65 -10.897 9.842 1.868 1.00 0.00 O ATOM 1013 CB LYS A 65 -13.073 12.197 2.269 1.00 0.00 C ATOM 1014 CG LYS A 65 -13.405 11.510 0.951 1.00 0.00 C ATOM 1015 CD LYS A 65 -13.224 12.450 -0.233 1.00 0.00 C ATOM 1016 CE LYS A 65 -14.514 12.609 -1.022 1.00 0.00 C ATOM 1017 NZ LYS A 65 -14.323 13.456 -2.234 1.00 0.00 N ATOM 0 H LYS A 65 -12.058 13.134 4.328 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.739 10.477 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.002 12.437 2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.572 13.142 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.765 10.637 0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.434 11.150 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.892 13.425 0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.441 12.066 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.881 11.627 -1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.277 13.055 -0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.225 13.540 -2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.997 14.402 -1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.613 13.018 -2.855 1.00 0.00 H new ATOM 1031 N ALA A 66 -9.895 11.744 2.520 1.00 0.00 N ATOM 1032 CA ALA A 66 -8.638 11.423 1.861 1.00 0.00 C ATOM 1033 C ALA A 66 -7.904 10.319 2.611 1.00 0.00 C ATOM 1034 O ALA A 66 -7.309 9.429 2.002 1.00 0.00 O ATOM 1035 CB ALA A 66 -7.765 12.664 1.753 1.00 0.00 C ATOM 0 H ALA A 66 -9.901 12.639 3.009 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.859 11.065 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.828 12.408 1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.286 13.426 1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.555 13.049 2.751 1.00 0.00 H new ATOM 1041 N LEU A 67 -7.942 10.388 3.939 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.273 9.401 4.777 1.00 0.00 C ATOM 1043 C LEU A 67 -7.970 8.046 4.709 1.00 0.00 C ATOM 1044 O LEU A 67 -7.311 7.004 4.719 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.213 9.895 6.224 1.00 0.00 C ATOM 1046 CG LEU A 67 -5.889 10.543 6.637 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.462 11.600 5.625 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.008 11.151 8.028 1.00 0.00 C ATOM 0 H LEU A 67 -8.430 11.119 4.457 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.259 9.272 4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.016 10.616 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.409 9.052 6.887 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.122 9.769 6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.519 12.046 5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.335 11.137 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.227 12.374 5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.059 11.608 8.308 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.790 11.910 8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.260 10.371 8.746 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.299 8.053 4.627 1.00 0.00 N ATOM 1061 CA GLN A 68 -10.047 6.804 4.546 1.00 0.00 C ATOM 1062 C GLN A 68 -9.868 6.168 3.173 1.00 0.00 C ATOM 1063 O GLN A 68 -9.676 4.959 3.060 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.534 7.031 4.839 1.00 0.00 C ATOM 1065 CG GLN A 68 -12.178 8.098 3.972 1.00 0.00 C ATOM 1066 CD GLN A 68 -12.999 7.516 2.837 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -12.464 7.153 1.790 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -14.309 7.424 3.040 1.00 0.00 N ATOM 0 H GLN A 68 -9.872 8.897 4.615 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.654 6.125 5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.069 6.092 4.699 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.649 7.310 5.886 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.817 8.726 4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.401 8.742 3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.711 7.737 3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.912 7.040 2.312 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.926 6.992 2.132 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.761 6.506 0.769 1.00 0.00 C ATOM 1079 C GLU A 69 -8.375 5.903 0.581 1.00 0.00 C ATOM 1080 O GLU A 69 -8.220 4.866 -0.064 1.00 0.00 O ATOM 1081 CB GLU A 69 -9.985 7.640 -0.235 1.00 0.00 C ATOM 1082 CG GLU A 69 -11.310 7.546 -0.972 1.00 0.00 C ATOM 1083 CD GLU A 69 -11.164 6.958 -2.362 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -10.761 7.701 -3.281 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -11.453 5.754 -2.530 1.00 0.00 O ATOM 0 H GLU A 69 -10.086 7.997 2.207 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.505 5.730 0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.938 8.594 0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.173 7.636 -0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.001 6.933 -0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.751 8.540 -1.047 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.370 6.555 1.156 1.00 0.00 N ATOM 1093 CA LEU A 70 -6.000 6.070 1.054 1.00 0.00 C ATOM 1094 C LEU A 70 -5.871 4.720 1.744 1.00 0.00 C ATOM 1095 O LEU A 70 -5.332 3.769 1.179 1.00 0.00 O ATOM 1096 CB LEU A 70 -5.028 7.077 1.676 1.00 0.00 C ATOM 1097 CG LEU A 70 -4.324 7.997 0.678 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.982 9.327 1.331 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -3.069 7.330 0.135 1.00 0.00 C ATOM 0 H LEU A 70 -7.478 7.415 1.694 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.749 5.953 -0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.574 7.692 2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.272 6.529 2.238 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.001 8.187 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.481 9.970 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.897 9.810 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.322 9.156 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.580 7.998 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.388 7.112 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.339 6.402 -0.368 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.372 4.645 2.972 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.316 3.411 3.745 1.00 0.00 C ATOM 1113 C ARG A 71 -6.962 2.265 2.973 1.00 0.00 C ATOM 1114 O ARG A 71 -6.467 1.138 2.984 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.018 3.597 5.092 1.00 0.00 C ATOM 1116 CG ARG A 71 -6.934 2.381 5.999 1.00 0.00 C ATOM 1117 CD ARG A 71 -7.900 2.488 7.167 1.00 0.00 C ATOM 1118 NE ARG A 71 -7.259 2.168 8.441 1.00 0.00 N ATOM 1119 CZ ARG A 71 -7.027 0.928 8.864 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -7.375 -0.112 8.115 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -6.444 0.726 10.037 1.00 0.00 N ATOM 0 H ARG A 71 -6.821 5.424 3.453 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.269 3.164 3.923 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.579 4.453 5.605 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.067 3.835 4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.155 1.482 5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.917 2.277 6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.306 3.499 7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.741 1.813 7.005 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.973 2.941 9.041 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.822 0.038 7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.195 -1.061 8.444 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.173 1.521 10.616 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.266 -0.225 10.361 1.00 0.00 H new ATOM 1135 N GLN A 72 -8.063 2.566 2.292 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.768 1.565 1.504 1.00 0.00 C ATOM 1137 C GLN A 72 -7.935 1.162 0.291 1.00 0.00 C ATOM 1138 O GLN A 72 -7.832 -0.019 -0.043 1.00 0.00 O ATOM 1139 CB GLN A 72 -10.130 2.102 1.055 1.00 0.00 C ATOM 1140 CG GLN A 72 -11.307 1.424 1.739 1.00 0.00 C ATOM 1141 CD GLN A 72 -12.640 2.017 1.327 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -13.106 2.994 1.915 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -13.263 1.427 0.314 1.00 0.00 N ATOM 0 H GLN A 72 -8.485 3.494 2.271 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.928 0.685 2.126 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.173 3.173 1.254 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.224 1.974 -0.023 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.297 0.360 1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.193 1.510 2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.840 0.620 -0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.165 1.781 -0.006 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.337 2.155 -0.358 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.505 1.915 -1.531 1.00 0.00 C ATOM 1154 C GLU A 73 -5.360 0.963 -1.198 1.00 0.00 C ATOM 1155 O GLU A 73 -5.111 0.002 -1.923 1.00 0.00 O ATOM 1156 CB GLU A 73 -5.947 3.237 -2.065 1.00 0.00 C ATOM 1157 CG GLU A 73 -5.056 3.073 -3.286 1.00 0.00 C ATOM 1158 CD GLU A 73 -3.651 3.593 -3.056 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -3.203 3.601 -1.890 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -2.995 3.992 -4.042 1.00 0.00 O ATOM 0 H GLU A 73 -7.413 3.136 -0.091 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.126 1.454 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.777 3.897 -2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.379 3.728 -1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.009 2.019 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.501 3.600 -4.130 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.666 1.237 -0.097 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.549 0.402 0.328 1.00 0.00 C ATOM 1169 C LEU A 74 -4.034 -0.982 0.750 1.00 0.00 C ATOM 1170 O LEU A 74 -3.436 -1.993 0.391 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.797 1.068 1.481 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.235 2.457 1.168 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -2.339 3.363 2.386 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.790 2.353 0.702 1.00 0.00 C ATOM 0 H LEU A 74 -4.858 2.030 0.516 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.871 0.286 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.469 1.148 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.975 0.419 1.782 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.827 2.895 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.935 4.346 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.385 3.463 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.772 2.930 3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.406 3.349 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.187 1.895 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.741 1.740 -0.198 1.00 0.00 H new ATOM 1186 N ASN A 75 -5.112 -1.023 1.528 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.659 -2.290 2.006 1.00 0.00 C ATOM 1188 C ASN A 75 -5.906 -3.250 0.844 1.00 0.00 C ATOM 1189 O ASN A 75 -5.597 -4.438 0.931 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.961 -2.050 2.774 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.763 -2.100 4.275 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -7.028 -3.117 4.916 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -6.294 -0.996 4.847 1.00 0.00 N ATOM 0 H ASN A 75 -5.623 -0.197 1.840 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.929 -2.743 2.677 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.370 -1.078 2.496 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.696 -2.800 2.482 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.141 -0.970 5.855 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.087 -0.175 4.278 1.00 0.00 H new ATOM 1200 N THR A 76 -6.442 -2.720 -0.248 1.00 0.00 N ATOM 1201 CA THR A 76 -6.695 -3.545 -1.424 1.00 0.00 C ATOM 1202 C THR A 76 -5.413 -3.717 -2.238 1.00 0.00 C ATOM 1203 O THR A 76 -5.037 -4.828 -2.594 1.00 0.00 O ATOM 1204 CB THR A 76 -7.803 -2.936 -2.289 1.00 0.00 C ATOM 1205 OG1 THR A 76 -8.051 -3.745 -3.424 1.00 0.00 O ATOM 1206 CG2 THR A 76 -7.491 -1.540 -2.785 1.00 0.00 C ATOM 0 H THR A 76 -6.706 -1.740 -0.345 1.00 0.00 H new ATOM 0 HA THR A 76 -7.029 -4.527 -1.088 1.00 0.00 H new ATOM 0 HB THR A 76 -8.674 -2.882 -1.637 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.762 -3.342 -3.964 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.321 -1.175 -3.390 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.343 -0.876 -1.933 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.584 -1.563 -3.389 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.770 -2.600 -2.548 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.544 -2.595 -3.348 1.00 0.00 C ATOM 1216 C LEU A 77 -2.483 -3.562 -2.813 1.00 0.00 C ATOM 1217 O LEU A 77 -1.849 -4.283 -3.583 1.00 0.00 O ATOM 1218 CB LEU A 77 -2.967 -1.178 -3.405 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.622 -0.250 -4.430 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -2.890 1.081 -4.488 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.647 -0.904 -5.804 1.00 0.00 C ATOM 0 H LEU A 77 -5.078 -1.673 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.814 -2.934 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.059 -0.725 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.902 -1.245 -3.627 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.650 -0.065 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.370 1.728 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.923 1.557 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.852 0.913 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.116 -0.229 -6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.627 -1.119 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.215 -1.833 -5.755 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.271 -3.550 -1.503 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.263 -4.403 -0.874 1.00 0.00 C ATOM 1235 C ALA A 78 -1.695 -5.867 -0.778 1.00 0.00 C ATOM 1236 O ALA A 78 -0.853 -6.764 -0.732 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.923 -3.871 0.510 1.00 0.00 C ATOM 0 H ALA A 78 -2.785 -2.957 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.381 -4.374 -1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.172 -4.512 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.532 -2.857 0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.821 -3.862 1.127 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.998 -6.104 -0.703 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.520 -7.464 -0.560 1.00 0.00 C ATOM 1245 C ASN A 79 -2.952 -8.431 -1.607 1.00 0.00 C ATOM 1246 O ASN A 79 -2.493 -9.519 -1.258 1.00 0.00 O ATOM 1247 CB ASN A 79 -5.049 -7.447 -0.644 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.704 -8.042 0.587 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.616 -9.245 0.831 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -6.366 -7.199 1.371 1.00 0.00 N ATOM 0 H ASN A 79 -3.713 -5.378 -0.738 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.202 -7.827 0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.391 -6.420 -0.774 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.368 -8.003 -1.526 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.827 -7.542 2.214 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.413 -6.209 1.130 1.00 0.00 H new ATOM 1257 N PRO A 80 -2.984 -8.069 -2.900 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.479 -8.939 -3.970 1.00 0.00 C ATOM 1259 C PRO A 80 -0.955 -9.043 -3.997 1.00 0.00 C ATOM 1260 O PRO A 80 -0.406 -10.049 -4.446 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.982 -8.259 -5.243 1.00 0.00 C ATOM 1262 CG PRO A 80 -3.110 -6.823 -4.874 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.529 -6.808 -3.430 1.00 0.00 C ATOM 0 HA PRO A 80 -2.823 -9.965 -3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.283 -8.396 -6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.938 -8.673 -5.563 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.165 -6.298 -5.013 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.848 -6.322 -5.501 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.124 -5.943 -2.904 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.613 -6.765 -3.327 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.273 -8.006 -3.517 1.00 0.00 N ATOM 1272 CA PHE A 81 1.186 -7.993 -3.501 1.00 0.00 C ATOM 1273 C PHE A 81 1.746 -8.955 -2.460 1.00 0.00 C ATOM 1274 O PHE A 81 2.638 -9.750 -2.751 1.00 0.00 O ATOM 1275 CB PHE A 81 1.689 -6.573 -3.218 1.00 0.00 C ATOM 1276 CG PHE A 81 3.181 -6.399 -3.348 1.00 0.00 C ATOM 1277 CD1 PHE A 81 3.988 -7.416 -3.840 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.775 -5.203 -2.977 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.352 -7.240 -3.958 1.00 0.00 C ATOM 1280 CE2 PHE A 81 5.139 -5.023 -3.094 1.00 0.00 C ATOM 1281 CZ PHE A 81 5.928 -6.042 -3.585 1.00 0.00 C ATOM 0 H PHE A 81 -0.707 -7.166 -3.135 1.00 0.00 H new ATOM 0 HA PHE A 81 1.534 -8.320 -4.481 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.195 -5.883 -3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.390 -6.290 -2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.544 -8.355 -4.134 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.163 -4.401 -2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.968 -8.039 -4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.588 -4.085 -2.801 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.995 -5.903 -3.678 1.00 0.00 H new ATOM 1291 N LEU A 82 1.219 -8.879 -1.245 1.00 0.00 N ATOM 1292 CA LEU A 82 1.677 -9.747 -0.169 1.00 0.00 C ATOM 1293 C LEU A 82 1.237 -11.183 -0.409 1.00 0.00 C ATOM 1294 O LEU A 82 2.012 -12.119 -0.212 1.00 0.00 O ATOM 1295 CB LEU A 82 1.152 -9.253 1.180 1.00 0.00 C ATOM 1296 CG LEU A 82 1.519 -7.809 1.528 1.00 0.00 C ATOM 1297 CD1 LEU A 82 0.785 -7.360 2.783 1.00 0.00 C ATOM 1298 CD2 LEU A 82 3.023 -7.669 1.710 1.00 0.00 C ATOM 0 H LEU A 82 0.478 -8.229 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 82 2.766 -9.718 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.066 -9.348 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.534 -9.908 1.963 1.00 0.00 H new ATOM 0 HG LEU A 82 1.212 -7.168 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.058 -6.331 3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.291 -7.421 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.061 -8.006 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.265 -6.635 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.354 -8.322 2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.529 -7.949 0.786 1.00 0.00 H new ATOM 1310 N ALA A 83 -0.007 -11.356 -0.836 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.536 -12.686 -1.098 1.00 0.00 C ATOM 1312 C ALA A 83 0.293 -13.402 -2.151 1.00 0.00 C ATOM 1313 O ALA A 83 0.775 -14.513 -1.924 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.996 -12.608 -1.519 1.00 0.00 C ATOM 0 H ALA A 83 -0.665 -10.596 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.477 -13.263 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.374 -13.612 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.580 -12.146 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.082 -12.009 -2.426 1.00 0.00 H new ATOM 1320 N LYS A 84 0.479 -12.758 -3.296 1.00 0.00 N ATOM 1321 CA LYS A 84 1.278 -13.346 -4.363 1.00 0.00 C ATOM 1322 C LYS A 84 2.681 -13.639 -3.847 1.00 0.00 C ATOM 1323 O LYS A 84 3.236 -14.712 -4.088 1.00 0.00 O ATOM 1324 CB LYS A 84 1.343 -12.410 -5.572 1.00 0.00 C ATOM 1325 CG LYS A 84 0.447 -12.839 -6.723 1.00 0.00 C ATOM 1326 CD LYS A 84 -0.953 -12.261 -6.588 1.00 0.00 C ATOM 1327 CE LYS A 84 -1.783 -13.038 -5.578 1.00 0.00 C ATOM 1328 NZ LYS A 84 -2.624 -12.140 -4.740 1.00 0.00 N ATOM 0 H LYS A 84 0.092 -11.838 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 84 0.808 -14.277 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.061 -11.405 -5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.373 -12.357 -5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.886 -12.515 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.391 -13.927 -6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.888 -11.217 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.450 -12.278 -7.558 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.422 -13.748 -6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.122 -13.619 -4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.174 -12.709 -4.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.013 -11.479 -4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.273 -11.604 -5.350 1.00 0.00 H new ATOM 1342 N TYR A 85 3.248 -12.667 -3.137 1.00 0.00 N ATOM 1343 CA TYR A 85 4.591 -12.821 -2.592 1.00 0.00 C ATOM 1344 C TYR A 85 4.668 -14.065 -1.711 1.00 0.00 C ATOM 1345 O TYR A 85 5.547 -14.906 -1.898 1.00 0.00 O ATOM 1346 CB TYR A 85 5.006 -11.576 -1.804 1.00 0.00 C ATOM 1347 CG TYR A 85 6.507 -11.390 -1.723 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.318 -11.648 -2.823 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.112 -10.956 -0.551 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.687 -11.478 -2.756 1.00 0.00 C ATOM 1351 CE2 TYR A 85 8.482 -10.784 -0.476 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.264 -11.046 -1.582 1.00 0.00 C ATOM 1353 OH TYR A 85 10.628 -10.871 -1.514 1.00 0.00 O ATOM 0 H TYR A 85 2.803 -11.773 -2.928 1.00 0.00 H new ATOM 0 HA TYR A 85 5.286 -12.941 -3.423 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.563 -10.696 -2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.600 -11.642 -0.795 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.870 -11.987 -3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.503 -10.749 0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.302 -11.683 -3.620 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.937 -10.446 0.443 1.00 0.00 H new ATOM 0 HH TYR A 85 10.942 -11.093 -0.612 1.00 0.00 H new ATOM 1363 N ARG A 86 3.746 -14.194 -0.755 1.00 0.00 N ATOM 1364 CA ARG A 86 3.736 -15.358 0.126 1.00 0.00 C ATOM 1365 C ARG A 86 3.577 -16.637 -0.687 1.00 0.00 C ATOM 1366 O ARG A 86 4.050 -17.703 -0.294 1.00 0.00 O ATOM 1367 CB ARG A 86 2.605 -15.245 1.150 1.00 0.00 C ATOM 1368 CG ARG A 86 2.918 -14.307 2.301 1.00 0.00 C ATOM 1369 CD ARG A 86 3.791 -14.981 3.347 1.00 0.00 C ATOM 1370 NE ARG A 86 2.998 -15.730 4.320 1.00 0.00 N ATOM 1371 CZ ARG A 86 3.501 -16.659 5.128 1.00 0.00 C ATOM 1372 NH1 ARG A 86 4.794 -16.957 5.086 1.00 0.00 N ATOM 1373 NH2 ARG A 86 2.710 -17.292 5.982 1.00 0.00 N ATOM 0 H ARG A 86 3.006 -13.515 -0.574 1.00 0.00 H new ATOM 0 HA ARG A 86 4.687 -15.394 0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.703 -14.899 0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.387 -16.236 1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.423 -13.419 1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.989 -13.972 2.762 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.492 -15.655 2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.384 -14.227 3.865 1.00 0.00 H new ATOM 0 HE ARG A 86 2.000 -15.528 4.383 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.408 -16.472 4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.173 -17.670 5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.716 -17.067 6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.095 -18.005 6.602 1.00 0.00 H new ATOM 1387 N ASP A 87 2.910 -16.514 -1.830 1.00 0.00 N ATOM 1388 CA ASP A 87 2.692 -17.650 -2.714 1.00 0.00 C ATOM 1389 C ASP A 87 4.001 -18.062 -3.377 1.00 0.00 C ATOM 1390 O ASP A 87 4.307 -19.248 -3.488 1.00 0.00 O ATOM 1391 CB ASP A 87 1.648 -17.303 -3.779 1.00 0.00 C ATOM 1392 CG ASP A 87 0.282 -17.878 -3.459 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -0.253 -17.566 -2.375 1.00 0.00 O ATOM 1394 OD2 ASP A 87 -0.252 -18.639 -4.293 1.00 0.00 O ATOM 0 H ASP A 87 2.511 -15.637 -2.165 1.00 0.00 H new ATOM 0 HA ASP A 87 2.321 -18.486 -2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.571 -16.219 -3.869 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.980 -17.680 -4.746 1.00 0.00 H new ATOM 1399 N PHE A 88 4.769 -17.068 -3.814 1.00 0.00 N ATOM 1400 CA PHE A 88 6.051 -17.311 -4.466 1.00 0.00 C ATOM 1401 C PHE A 88 7.084 -17.827 -3.467 1.00 0.00 C ATOM 1402 O PHE A 88 7.932 -18.653 -3.806 1.00 0.00 O ATOM 1403 CB PHE A 88 6.554 -16.022 -5.124 1.00 0.00 C ATOM 1404 CG PHE A 88 7.978 -16.096 -5.596 1.00 0.00 C ATOM 1405 CD1 PHE A 88 8.279 -16.584 -6.855 1.00 0.00 C ATOM 1406 CD2 PHE A 88 9.015 -15.678 -4.776 1.00 0.00 C ATOM 1407 CE1 PHE A 88 9.588 -16.655 -7.290 1.00 0.00 C ATOM 1408 CE2 PHE A 88 10.325 -15.746 -5.206 1.00 0.00 C ATOM 1409 CZ PHE A 88 10.611 -16.235 -6.464 1.00 0.00 C ATOM 0 H PHE A 88 4.524 -16.082 -3.727 1.00 0.00 H new ATOM 0 HA PHE A 88 5.908 -18.074 -5.231 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.912 -15.784 -5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.459 -15.202 -4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.482 -16.913 -7.505 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.795 -15.295 -3.790 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.811 -17.038 -8.275 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.125 -15.417 -4.559 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.635 -16.289 -6.802 1.00 0.00 H new ATOM 1419 N LEU A 89 7.005 -17.334 -2.236 1.00 0.00 N ATOM 1420 CA LEU A 89 7.935 -17.752 -1.193 1.00 0.00 C ATOM 1421 C LEU A 89 7.658 -19.196 -0.786 1.00 0.00 C ATOM 1422 O LEU A 89 8.568 -20.023 -0.726 1.00 0.00 O ATOM 1423 CB LEU A 89 7.842 -16.831 0.024 1.00 0.00 C ATOM 1424 CG LEU A 89 9.191 -16.460 0.647 1.00 0.00 C ATOM 1425 CD1 LEU A 89 9.589 -15.044 0.259 1.00 0.00 C ATOM 1426 CD2 LEU A 89 9.143 -16.613 2.162 1.00 0.00 C ATOM 0 H LEU A 89 6.311 -16.649 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 89 8.947 -17.686 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.327 -15.916 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.227 -17.314 0.783 1.00 0.00 H new ATOM 0 HG LEU A 89 9.947 -17.143 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.550 -14.799 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.670 -14.973 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.833 -14.344 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.111 -16.345 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.374 -15.957 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.910 -17.647 2.416 1.00 0.00 H new ATOM 1438 N LYS A 90 6.387 -19.494 -0.540 1.00 0.00 N ATOM 1439 CA LYS A 90 5.964 -20.841 -0.174 1.00 0.00 C ATOM 1440 C LYS A 90 6.058 -21.771 -1.382 1.00 0.00 C ATOM 1441 O LYS A 90 6.219 -22.984 -1.242 1.00 0.00 O ATOM 1442 CB LYS A 90 4.533 -20.821 0.369 1.00 0.00 C ATOM 1443 CG LYS A 90 4.367 -21.581 1.676 1.00 0.00 C ATOM 1444 CD LYS A 90 5.196 -20.963 2.790 1.00 0.00 C ATOM 1445 CE LYS A 90 4.394 -19.943 3.584 1.00 0.00 C ATOM 1446 NZ LYS A 90 3.903 -20.505 4.873 1.00 0.00 N ATOM 0 H LYS A 90 5.627 -18.816 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 90 6.627 -21.213 0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.224 -19.786 0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.864 -21.249 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.316 -21.586 1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.664 -22.620 1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.551 -21.747 3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.077 -20.483 2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.014 -19.068 3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.546 -19.605 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.361 -19.779 5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.291 -21.324 4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.713 -20.804 5.452 1.00 0.00 H new ATOM 1460 N SER A 91 5.945 -21.181 -2.570 1.00 0.00 N ATOM 1461 CA SER A 91 6.004 -21.928 -3.823 1.00 0.00 C ATOM 1462 C SER A 91 7.360 -22.606 -4.028 1.00 0.00 C ATOM 1463 O SER A 91 7.531 -23.377 -4.973 1.00 0.00 O ATOM 1464 CB SER A 91 5.710 -21.000 -5.004 1.00 0.00 C ATOM 1465 OG SER A 91 4.324 -20.972 -5.298 1.00 0.00 O ATOM 0 H SER A 91 5.811 -20.177 -2.690 1.00 0.00 H new ATOM 0 HA SER A 91 5.246 -22.710 -3.768 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.057 -19.992 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.264 -21.335 -5.881 1.00 0.00 H new ATOM 0 HG SER A 91 3.869 -20.370 -4.673 1.00 0.00 H new