USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 798 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 67 THR OG1 : rot 180:sc= -0.685! USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 51 LYS NZ :NH3+ -146:sc= 0.00957 (180deg=0) USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0.00771 USER MOD Single : A 9 MET CE :methyl 167:sc= -5.53! (180deg=-6.2!) USER MOD Single : A 10 MET CE :methyl 155:sc= -0.0916 (180deg=-0.494) USER MOD Single : A 16 GLN : amide:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS :FLIP no HD1:sc= -2.74! C(o=-3.5!,f=-2.7!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.968 K(o=-0.97,f=-1.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc= -0.814 K(o=-0.81,f=-2.3!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0.0073) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -30:sc= -2.05! USER MOD Single : A 46 TYR OH : rot 26:sc= -0.101 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 58 THR OG1 : rot -149:sc= 0.614 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0551 X(o=-0.055,f=-0.034) USER MOD Single : A 64 ASN :FLIP amide:sc= 0.985 F(o=-0.33,f=0.98) USER MOD Single : A 66 THR OG1 : rot 41:sc= 0.61 USER MOD Single : A 70 TYR OH : rot 154:sc=0.000776 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.33) USER MOD Single : A 79 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 81 TYR OH : rot 130:sc= 0.282 USER MOD Single : A 84 SER OG : rot 126:sc= 0.0719 USER MOD Single : A 86 MET CE :methyl 147:sc= -2.39! (180deg=-5.13!) USER MOD Single : A 88 THR OG1 : rot 85:sc= 1.4 USER MOD Single : A 89 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.021) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 83:sc= -1.23 USER MOD Single : A 95 THR OG1 : rot -90:sc= -0.534 USER MOD Single : A 97 SER OG : rot -91:sc= 0.0383 USER MOD Single : A 98 MET CE :methyl -145:sc= 0 (180deg=-0.101) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc=-0.00618 X(o=-0.0062,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -159:sc= -0.376 USER MOD ----------------------------------------------------------------- ATOM 80 N MET A 9 14.134 -2.789 10.161 1.00 0.00 N ATOM 81 CA MET A 9 13.446 -1.597 9.681 1.00 0.00 C ATOM 82 C MET A 9 11.979 -1.609 10.099 1.00 0.00 C ATOM 83 O MET A 9 11.298 -2.627 9.978 1.00 0.00 O ATOM 84 CB MET A 9 13.553 -1.499 8.158 1.00 0.00 C ATOM 85 CG MET A 9 14.984 -1.522 7.646 1.00 0.00 C ATOM 86 SD MET A 9 15.085 -1.322 5.857 1.00 0.00 S ATOM 87 CE MET A 9 14.174 0.204 5.635 1.00 0.00 C ATOM 0 HA MET A 9 13.926 -0.727 10.129 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.002 -2.326 7.709 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.072 -0.579 7.827 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.551 -0.727 8.129 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.452 -2.465 7.929 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.340 0.583 4.627 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.110 0.017 5.782 1.00 0.00 H new ATOM 0 HE3 MET A 9 14.517 0.941 6.361 1.00 0.00 H new ATOM 97 N MET A 10 11.499 -0.473 10.593 1.00 0.00 N ATOM 98 CA MET A 10 10.112 -0.354 11.029 1.00 0.00 C ATOM 99 C MET A 10 9.215 0.080 9.874 1.00 0.00 C ATOM 100 O MET A 10 9.559 0.962 9.087 1.00 0.00 O ATOM 101 CB MET A 10 10.001 0.646 12.181 1.00 0.00 C ATOM 102 CG MET A 10 10.491 2.040 11.825 1.00 0.00 C ATOM 103 SD MET A 10 11.217 2.902 13.232 1.00 0.00 S ATOM 104 CE MET A 10 12.717 1.953 13.473 1.00 0.00 C ATOM 0 H MET A 10 12.050 0.379 10.702 1.00 0.00 H new ATOM 0 HA MET A 10 9.780 -1.333 11.375 1.00 0.00 H new ATOM 0 HB2 MET A 10 8.960 0.706 12.500 1.00 0.00 H new ATOM 0 HB3 MET A 10 10.574 0.274 13.030 1.00 0.00 H new ATOM 0 HG2 MET A 10 11.230 1.968 11.027 1.00 0.00 H new ATOM 0 HG3 MET A 10 9.658 2.625 11.436 1.00 0.00 H new ATOM 0 HE1 MET A 10 13.465 2.574 13.967 1.00 0.00 H new ATOM 0 HE2 MET A 10 12.501 1.083 14.093 1.00 0.00 H new ATOM 0 HE3 MET A 10 13.099 1.624 12.506 1.00 0.00 H new ATOM 114 N PRO A 11 8.037 -0.553 9.769 1.00 0.00 N ATOM 115 CA PRO A 11 7.067 -0.248 8.713 1.00 0.00 C ATOM 116 C PRO A 11 6.425 1.123 8.895 1.00 0.00 C ATOM 117 O PRO A 11 6.500 1.735 9.961 1.00 0.00 O ATOM 118 CB PRO A 11 6.019 -1.353 8.865 1.00 0.00 C ATOM 119 CG PRO A 11 6.116 -1.775 10.290 1.00 0.00 C ATOM 120 CD PRO A 11 7.562 -1.615 10.671 1.00 0.00 C ATOM 0 HA PRO A 11 7.533 -0.216 7.728 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.020 -0.986 8.628 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.221 -2.186 8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.475 -1.161 10.923 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.792 -2.808 10.414 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.673 -1.332 11.718 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.119 -2.541 10.530 1.00 0.00 H new ATOM 128 N PRO A 12 5.777 1.620 7.830 1.00 0.00 N ATOM 129 CA PRO A 12 5.108 2.924 7.848 1.00 0.00 C ATOM 130 C PRO A 12 3.864 2.926 8.729 1.00 0.00 C ATOM 131 O PRO A 12 3.507 1.905 9.319 1.00 0.00 O ATOM 132 CB PRO A 12 4.726 3.147 6.383 1.00 0.00 C ATOM 133 CG PRO A 12 4.623 1.778 5.805 1.00 0.00 C ATOM 134 CD PRO A 12 5.647 0.946 6.527 1.00 0.00 C ATOM 0 HA PRO A 12 5.748 3.704 8.260 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.782 3.685 6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.479 3.740 5.864 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.621 1.370 5.943 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.817 1.792 4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.318 -0.087 6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.596 0.922 5.991 1.00 0.00 H new ATOM 142 N VAL A 13 3.205 4.077 8.814 1.00 0.00 N ATOM 143 CA VAL A 13 1.999 4.211 9.622 1.00 0.00 C ATOM 144 C VAL A 13 1.037 5.222 9.010 1.00 0.00 C ATOM 145 O VAL A 13 1.336 5.841 7.989 1.00 0.00 O ATOM 146 CB VAL A 13 2.333 4.643 11.062 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.176 3.583 11.756 1.00 0.00 C ATOM 148 CG2 VAL A 13 3.045 5.987 11.063 1.00 0.00 C ATOM 0 H VAL A 13 3.486 4.931 8.333 1.00 0.00 H new ATOM 0 HA VAL A 13 1.524 3.230 9.646 1.00 0.00 H new ATOM 0 HB VAL A 13 1.401 4.751 11.616 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.402 3.906 12.772 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.625 2.643 11.788 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.106 3.440 11.206 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.273 6.277 12.089 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.971 5.909 10.493 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.402 6.740 10.608 1.00 0.00 H new ATOM 158 N GLY A 14 -0.122 5.386 9.641 1.00 0.00 N ATOM 159 CA GLY A 14 -1.111 6.325 9.145 1.00 0.00 C ATOM 160 C GLY A 14 -1.616 5.958 7.763 1.00 0.00 C ATOM 161 O GLY A 14 -2.120 6.810 7.032 1.00 0.00 O ATOM 0 H GLY A 14 -0.393 4.885 10.487 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.952 6.362 9.838 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.677 7.324 9.116 1.00 0.00 H new ATOM 165 N VAL A 15 -1.481 4.685 7.404 1.00 0.00 N ATOM 166 CA VAL A 15 -1.927 4.207 6.101 1.00 0.00 C ATOM 167 C VAL A 15 -3.416 4.465 5.901 1.00 0.00 C ATOM 168 O VAL A 15 -4.239 4.076 6.729 1.00 0.00 O ATOM 169 CB VAL A 15 -1.650 2.702 5.931 1.00 0.00 C ATOM 170 CG1 VAL A 15 -2.047 2.240 4.537 1.00 0.00 C ATOM 171 CG2 VAL A 15 -0.186 2.395 6.207 1.00 0.00 C ATOM 0 H VAL A 15 -1.066 3.967 7.997 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.362 4.760 5.350 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.254 2.155 6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.844 1.174 4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.110 2.423 4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.472 2.791 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.008 1.327 6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.440 2.951 5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.061 2.687 7.228 1.00 0.00 H new ATOM 181 N GLN A 16 -3.754 5.123 4.797 1.00 0.00 N ATOM 182 CA GLN A 16 -5.145 5.433 4.489 1.00 0.00 C ATOM 183 C GLN A 16 -5.496 5.006 3.067 1.00 0.00 C ATOM 184 O GLN A 16 -4.622 4.897 2.208 1.00 0.00 O ATOM 185 CB GLN A 16 -5.407 6.930 4.663 1.00 0.00 C ATOM 186 CG GLN A 16 -6.862 7.321 4.459 1.00 0.00 C ATOM 187 CD GLN A 16 -7.101 8.805 4.660 1.00 0.00 C ATOM 188 OE1 GLN A 16 -7.934 9.207 5.473 1.00 0.00 O ATOM 189 NE2 GLN A 16 -6.369 9.628 3.918 1.00 0.00 N ATOM 0 H GLN A 16 -3.084 5.452 4.101 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.776 4.878 5.183 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.095 7.231 5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.788 7.483 3.956 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.172 7.040 3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.486 6.759 5.154 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.690 9.251 3.257 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.486 10.637 4.010 1.00 0.00 H new ATOM 198 N ALA A 17 -6.781 4.765 2.827 1.00 0.00 N ATOM 199 CA ALA A 17 -7.247 4.351 1.510 1.00 0.00 C ATOM 200 C ALA A 17 -8.490 5.132 1.097 1.00 0.00 C ATOM 201 O ALA A 17 -9.601 4.820 1.525 1.00 0.00 O ATOM 202 CB ALA A 17 -7.531 2.856 1.496 1.00 0.00 C ATOM 0 H ALA A 17 -7.517 4.849 3.528 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.459 4.566 0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.878 2.561 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.619 2.310 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.299 2.625 2.234 1.00 0.00 H new ATOM 208 N SER A 18 -8.295 6.149 0.264 1.00 0.00 N ATOM 209 CA SER A 18 -9.401 6.977 -0.203 1.00 0.00 C ATOM 210 C SER A 18 -9.930 6.473 -1.543 1.00 0.00 C ATOM 211 O SER A 18 -9.157 6.135 -2.439 1.00 0.00 O ATOM 212 CB SER A 18 -8.954 8.434 -0.334 1.00 0.00 C ATOM 213 OG SER A 18 -9.112 9.128 0.891 1.00 0.00 O ATOM 0 H SER A 18 -7.382 6.419 -0.101 1.00 0.00 H new ATOM 0 HA SER A 18 -10.204 6.915 0.531 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.910 8.471 -0.644 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.536 8.927 -1.113 1.00 0.00 H new ATOM 0 HG SER A 18 -8.818 10.056 0.781 1.00 0.00 H new ATOM 219 N ILE A 19 -11.251 6.426 -1.670 1.00 0.00 N ATOM 220 CA ILE A 19 -11.884 5.965 -2.899 1.00 0.00 C ATOM 221 C ILE A 19 -12.316 7.140 -3.769 1.00 0.00 C ATOM 222 O ILE A 19 -13.128 7.969 -3.355 1.00 0.00 O ATOM 223 CB ILE A 19 -13.110 5.081 -2.604 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.764 4.026 -1.552 1.00 0.00 C ATOM 225 CG2 ILE A 19 -13.607 4.420 -3.881 1.00 0.00 C ATOM 226 CD1 ILE A 19 -11.706 3.045 -2.005 1.00 0.00 C ATOM 0 H ILE A 19 -11.904 6.702 -0.937 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.141 5.374 -3.434 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.907 5.712 -2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.420 4.526 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.668 3.477 -1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.474 3.799 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -13.888 5.187 -4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.815 3.800 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.511 2.326 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.055 2.517 -2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.788 3.583 -2.241 1.00 0.00 H new ATOM 238 N LEU A 20 -11.770 7.206 -4.979 1.00 0.00 N ATOM 239 CA LEU A 20 -12.101 8.279 -5.910 1.00 0.00 C ATOM 240 C LEU A 20 -12.993 7.767 -7.036 1.00 0.00 C ATOM 241 O LEU A 20 -13.990 8.399 -7.387 1.00 0.00 O ATOM 242 CB LEU A 20 -10.823 8.886 -6.493 1.00 0.00 C ATOM 243 CG LEU A 20 -9.647 9.031 -5.526 1.00 0.00 C ATOM 244 CD1 LEU A 20 -10.123 9.555 -4.180 1.00 0.00 C ATOM 245 CD2 LEU A 20 -8.929 7.700 -5.358 1.00 0.00 C ATOM 0 H LEU A 20 -11.096 6.529 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.645 9.048 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.503 8.270 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -11.062 9.871 -6.893 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.944 9.751 -5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.272 9.651 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.592 10.530 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.847 8.860 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.095 7.821 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.624 6.959 -4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.553 7.365 -6.325 1.00 0.00 H new ATOM 257 N SER A 21 -12.630 6.619 -7.597 1.00 0.00 N ATOM 258 CA SER A 21 -13.397 6.023 -8.685 1.00 0.00 C ATOM 259 C SER A 21 -13.457 4.505 -8.538 1.00 0.00 C ATOM 260 O SER A 21 -12.891 3.937 -7.604 1.00 0.00 O ATOM 261 CB SER A 21 -12.779 6.392 -10.035 1.00 0.00 C ATOM 262 OG SER A 21 -12.852 7.789 -10.264 1.00 0.00 O ATOM 0 H SER A 21 -11.809 6.082 -7.316 1.00 0.00 H new ATOM 0 HA SER A 21 -14.413 6.416 -8.639 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.738 6.070 -10.062 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.298 5.862 -10.833 1.00 0.00 H new ATOM 0 HG SER A 21 -12.449 8.000 -11.132 1.00 0.00 H new ATOM 268 N HIS A 22 -14.149 3.854 -9.469 1.00 0.00 N ATOM 269 CA HIS A 22 -14.284 2.402 -9.445 1.00 0.00 C ATOM 270 C HIS A 22 -12.959 1.728 -9.785 1.00 0.00 C ATOM 271 O HIS A 22 -12.717 0.584 -9.399 1.00 0.00 O ATOM 272 CB HIS A 22 -15.365 1.953 -10.428 1.00 0.00 C ATOM 273 CG HIS A 22 -14.941 2.035 -11.863 1.00 0.00 C ATOM 274 ND1 HIS A 22 -14.592 1.064 -12.739 1.00 0.00 N flip ATOM 275 CD2 HIS A 22 -14.837 3.225 -12.550 1.00 0.00 C flip ATOM 276 CE1 HIS A 22 -14.288 1.679 -13.928 1.00 0.00 C flip ATOM 277 NE2 HIS A 22 -14.444 2.983 -13.788 1.00 0.00 N flip ATOM 0 H HIS A 22 -14.624 4.309 -10.248 1.00 0.00 H new ATOM 0 HA HIS A 22 -14.574 2.105 -8.437 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.648 0.926 -10.199 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.253 2.568 -10.284 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -15.044 4.203 -12.140 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.973 1.178 -14.831 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -14.288 3.684 -14.512 1.00 0.00 H new ATOM 286 N ASP A 23 -12.105 2.443 -10.508 1.00 0.00 N ATOM 287 CA ASP A 23 -10.804 1.914 -10.900 1.00 0.00 C ATOM 288 C ASP A 23 -9.681 2.843 -10.449 1.00 0.00 C ATOM 289 O ASP A 23 -8.577 2.811 -10.994 1.00 0.00 O ATOM 290 CB ASP A 23 -10.744 1.719 -12.416 1.00 0.00 C ATOM 291 CG ASP A 23 -10.570 3.028 -13.161 1.00 0.00 C ATOM 292 OD1 ASP A 23 -11.432 3.918 -13.005 1.00 0.00 O ATOM 293 OD2 ASP A 23 -9.573 3.162 -13.901 1.00 0.00 O ATOM 0 H ASP A 23 -12.290 3.391 -10.835 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.670 0.949 -10.412 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.918 1.052 -12.661 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.658 1.231 -12.753 1.00 0.00 H new ATOM 298 N THR A 24 -9.970 3.672 -9.450 1.00 0.00 N ATOM 299 CA THR A 24 -8.987 4.611 -8.928 1.00 0.00 C ATOM 300 C THR A 24 -9.026 4.658 -7.404 1.00 0.00 C ATOM 301 O THR A 24 -10.098 4.729 -6.804 1.00 0.00 O ATOM 302 CB THR A 24 -9.218 6.031 -9.479 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.591 5.966 -10.860 1.00 0.00 O ATOM 304 CG2 THR A 24 -7.966 6.881 -9.327 1.00 0.00 C ATOM 0 H THR A 24 -10.878 3.711 -8.987 1.00 0.00 H new ATOM 0 HA THR A 24 -8.009 4.257 -9.254 1.00 0.00 H new ATOM 0 HB THR A 24 -10.023 6.492 -8.907 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.738 6.873 -11.202 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.154 7.879 -9.723 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.701 6.953 -8.272 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.145 6.421 -9.877 1.00 0.00 H new ATOM 312 N ILE A 25 -7.851 4.617 -6.786 1.00 0.00 N ATOM 313 CA ILE A 25 -7.752 4.657 -5.332 1.00 0.00 C ATOM 314 C ILE A 25 -6.462 5.338 -4.887 1.00 0.00 C ATOM 315 O ILE A 25 -5.388 5.068 -5.423 1.00 0.00 O ATOM 316 CB ILE A 25 -7.807 3.242 -4.726 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.175 2.606 -4.982 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.512 3.293 -3.234 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.281 1.181 -4.487 1.00 0.00 C ATOM 0 H ILE A 25 -6.955 4.556 -7.269 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.606 5.232 -4.973 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.046 2.627 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.943 3.209 -4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.382 2.627 -6.052 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.555 2.286 -2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.518 3.709 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.252 3.921 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.277 0.794 -4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.536 0.565 -4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.106 1.156 -3.411 1.00 0.00 H new ATOM 331 N ARG A 26 -6.577 6.223 -3.902 1.00 0.00 N ATOM 332 CA ARG A 26 -5.420 6.943 -3.384 1.00 0.00 C ATOM 333 C ARG A 26 -4.896 6.286 -2.110 1.00 0.00 C ATOM 334 O ARG A 26 -5.662 5.989 -1.193 1.00 0.00 O ATOM 335 CB ARG A 26 -5.785 8.403 -3.104 1.00 0.00 C ATOM 336 CG ARG A 26 -4.579 9.298 -2.873 1.00 0.00 C ATOM 337 CD ARG A 26 -4.938 10.768 -3.027 1.00 0.00 C ATOM 338 NE ARG A 26 -3.800 11.641 -2.752 1.00 0.00 N ATOM 339 CZ ARG A 26 -3.782 12.937 -3.041 1.00 0.00 C ATOM 340 NH1 ARG A 26 -4.835 13.507 -3.612 1.00 0.00 N ATOM 341 NH2 ARG A 26 -2.710 13.666 -2.760 1.00 0.00 N ATOM 0 H ARG A 26 -7.459 6.458 -3.447 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.635 6.909 -4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.360 8.792 -3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.432 8.445 -2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.180 9.122 -1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.791 9.039 -3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.297 10.949 -4.040 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.756 11.014 -2.350 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.974 11.233 -2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.661 12.950 -3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.819 14.503 -3.833 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.898 13.231 -2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.697 14.661 -2.983 1.00 0.00 H new ATOM 355 N ILE A 27 -3.587 6.061 -2.063 1.00 0.00 N ATOM 356 CA ILE A 27 -2.961 5.440 -0.902 1.00 0.00 C ATOM 357 C ILE A 27 -1.816 6.295 -0.371 1.00 0.00 C ATOM 358 O ILE A 27 -0.755 6.387 -0.989 1.00 0.00 O ATOM 359 CB ILE A 27 -2.425 4.035 -1.237 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.550 3.152 -1.780 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.795 3.402 -0.005 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.672 2.926 -0.791 1.00 0.00 C ATOM 0 H ILE A 27 -2.940 6.299 -2.815 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.732 5.354 -0.136 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.659 4.128 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.958 3.610 -2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.135 2.188 -2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.421 2.410 -0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.970 4.024 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.543 3.318 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.434 2.292 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.278 2.439 0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.114 3.884 -0.517 1.00 0.00 H new ATOM 374 N THR A 28 -2.037 6.921 0.781 1.00 0.00 N ATOM 375 CA THR A 28 -1.024 7.769 1.397 1.00 0.00 C ATOM 376 C THR A 28 -0.635 7.248 2.776 1.00 0.00 C ATOM 377 O THR A 28 -1.477 6.744 3.519 1.00 0.00 O ATOM 378 CB THR A 28 -1.514 9.223 1.530 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.638 9.283 2.415 1.00 0.00 O ATOM 380 CG2 THR A 28 -1.902 9.790 0.172 1.00 0.00 C ATOM 0 H THR A 28 -2.909 6.856 1.306 1.00 0.00 H new ATOM 0 HA THR A 28 -0.152 7.745 0.743 1.00 0.00 H new ATOM 0 HB THR A 28 -0.699 9.821 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.942 10.211 2.495 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.245 10.818 0.291 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.037 9.771 -0.491 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.702 9.188 -0.258 1.00 0.00 H new ATOM 388 N TRP A 29 0.644 7.374 3.111 1.00 0.00 N ATOM 389 CA TRP A 29 1.144 6.915 4.402 1.00 0.00 C ATOM 390 C TRP A 29 2.117 7.926 4.998 1.00 0.00 C ATOM 391 O TRP A 29 2.339 8.996 4.433 1.00 0.00 O ATOM 392 CB TRP A 29 1.827 5.555 4.254 1.00 0.00 C ATOM 393 CG TRP A 29 2.922 5.549 3.230 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.240 5.842 3.438 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.793 5.237 1.839 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.938 5.731 2.259 1.00 0.00 N ATOM 397 CE2 TRP A 29 4.073 5.360 1.264 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.721 4.863 1.024 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.307 5.123 -0.088 1.00 0.00 C ATOM 400 CZ3 TRP A 29 1.955 4.629 -0.318 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.240 4.759 -0.863 1.00 0.00 C ATOM 0 H TRP A 29 1.353 7.790 2.507 1.00 0.00 H new ATOM 0 HA TRP A 29 0.295 6.814 5.078 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.239 5.256 5.218 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.080 4.809 3.982 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.670 6.120 4.389 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.938 5.898 2.144 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.728 4.759 1.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.296 5.223 -0.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.134 4.341 -0.958 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.391 4.568 -1.915 1.00 0.00 H new ATOM 412 N ALA A 30 2.696 7.579 6.143 1.00 0.00 N ATOM 413 CA ALA A 30 3.648 8.455 6.814 1.00 0.00 C ATOM 414 C ALA A 30 4.840 7.666 7.346 1.00 0.00 C ATOM 415 O ALA A 30 4.675 6.608 7.953 1.00 0.00 O ATOM 416 CB ALA A 30 2.965 9.209 7.945 1.00 0.00 C ATOM 0 H ALA A 30 2.522 6.697 6.625 1.00 0.00 H new ATOM 0 HA ALA A 30 4.019 9.175 6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.688 9.859 8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.151 9.811 7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.566 8.497 8.668 1.00 0.00 H new ATOM 422 N ASP A 31 6.039 8.187 7.114 1.00 0.00 N ATOM 423 CA ASP A 31 7.259 7.532 7.570 1.00 0.00 C ATOM 424 C ASP A 31 7.798 8.202 8.830 1.00 0.00 C ATOM 425 O ASP A 31 8.354 9.298 8.772 1.00 0.00 O ATOM 426 CB ASP A 31 8.321 7.559 6.470 1.00 0.00 C ATOM 427 CG ASP A 31 9.384 6.495 6.664 1.00 0.00 C ATOM 428 OD1 ASP A 31 9.022 5.349 7.003 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.578 6.809 6.476 1.00 0.00 O ATOM 0 H ASP A 31 6.193 9.062 6.612 1.00 0.00 H new ATOM 0 HA ASP A 31 7.018 6.496 7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.841 7.416 5.502 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.794 8.541 6.450 1.00 0.00 H new ATOM 434 N ASN A 32 7.628 7.536 9.968 1.00 0.00 N ATOM 435 CA ASN A 32 8.096 8.069 11.242 1.00 0.00 C ATOM 436 C ASN A 32 9.621 8.099 11.293 1.00 0.00 C ATOM 437 O ASN A 32 10.214 8.964 11.937 1.00 0.00 O ATOM 438 CB ASN A 32 7.553 7.229 12.400 1.00 0.00 C ATOM 439 CG ASN A 32 6.082 7.489 12.662 1.00 0.00 C ATOM 440 OD1 ASN A 32 5.549 8.534 12.290 1.00 0.00 O ATOM 441 ND2 ASN A 32 5.419 6.535 13.306 1.00 0.00 N ATOM 0 H ASN A 32 7.170 6.627 10.034 1.00 0.00 H new ATOM 0 HA ASN A 32 7.727 9.090 11.337 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.699 6.172 12.178 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.124 7.447 13.302 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.427 6.653 13.511 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.902 5.685 13.596 1.00 0.00 H new ATOM 448 N SER A 33 10.249 7.148 10.608 1.00 0.00 N ATOM 449 CA SER A 33 11.704 7.063 10.577 1.00 0.00 C ATOM 450 C SER A 33 12.321 8.418 10.242 1.00 0.00 C ATOM 451 O SER A 33 13.361 8.792 10.786 1.00 0.00 O ATOM 452 CB SER A 33 12.154 6.019 9.552 1.00 0.00 C ATOM 453 OG SER A 33 11.499 4.781 9.766 1.00 0.00 O ATOM 0 H SER A 33 9.773 6.426 10.067 1.00 0.00 H new ATOM 0 HA SER A 33 12.046 6.762 11.567 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.941 6.378 8.545 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.233 5.880 9.619 1.00 0.00 H new ATOM 0 HG SER A 33 11.802 4.131 9.098 1.00 0.00 H new ATOM 459 N LEU A 34 11.672 9.151 9.344 1.00 0.00 N ATOM 460 CA LEU A 34 12.154 10.465 8.936 1.00 0.00 C ATOM 461 C LEU A 34 12.217 11.416 10.126 1.00 0.00 C ATOM 462 O LEU A 34 11.379 11.378 11.028 1.00 0.00 O ATOM 463 CB LEU A 34 11.248 11.048 7.850 1.00 0.00 C ATOM 464 CG LEU A 34 11.132 10.232 6.562 1.00 0.00 C ATOM 465 CD1 LEU A 34 10.258 10.954 5.549 1.00 0.00 C ATOM 466 CD2 LEU A 34 12.511 9.956 5.980 1.00 0.00 C ATOM 0 H LEU A 34 10.810 8.857 8.885 1.00 0.00 H new ATOM 0 HA LEU A 34 13.161 10.347 8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.249 11.174 8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.614 12.042 7.595 1.00 0.00 H new ATOM 0 HG LEU A 34 10.662 9.278 6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.187 10.358 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.261 11.099 5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.698 11.923 5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.409 9.374 5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.008 10.900 5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.105 9.395 6.702 1.00 0.00 H new ATOM 478 N PRO A 35 13.233 12.293 10.131 1.00 0.00 N ATOM 479 CA PRO A 35 13.427 13.273 11.204 1.00 0.00 C ATOM 480 C PRO A 35 12.359 14.361 11.196 1.00 0.00 C ATOM 481 O PRO A 35 11.411 14.309 10.412 1.00 0.00 O ATOM 482 CB PRO A 35 14.802 13.870 10.893 1.00 0.00 C ATOM 483 CG PRO A 35 14.975 13.679 9.426 1.00 0.00 C ATOM 484 CD PRO A 35 14.268 12.395 9.090 1.00 0.00 C ATOM 0 HA PRO A 35 13.358 12.816 12.191 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.846 14.925 11.163 1.00 0.00 H new ATOM 0 HB3 PRO A 35 15.589 13.365 11.453 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.550 14.515 8.871 1.00 0.00 H new ATOM 0 HG3 PRO A 35 16.031 13.624 9.161 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.832 12.426 8.092 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.948 11.543 9.115 1.00 0.00 H new ATOM 492 N LYS A 36 12.519 15.346 12.073 1.00 0.00 N ATOM 493 CA LYS A 36 11.570 16.449 12.166 1.00 0.00 C ATOM 494 C LYS A 36 11.005 16.799 10.793 1.00 0.00 C ATOM 495 O LYS A 36 9.808 16.649 10.547 1.00 0.00 O ATOM 496 CB LYS A 36 12.243 17.678 12.781 1.00 0.00 C ATOM 497 CG LYS A 36 12.594 17.510 14.249 1.00 0.00 C ATOM 498 CD LYS A 36 12.627 18.846 14.972 1.00 0.00 C ATOM 499 CE LYS A 36 11.250 19.236 15.486 1.00 0.00 C ATOM 500 NZ LYS A 36 11.229 20.628 16.013 1.00 0.00 N ATOM 0 H LYS A 36 13.297 15.403 12.730 1.00 0.00 H new ATOM 0 HA LYS A 36 10.747 16.134 12.808 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.152 17.902 12.222 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.581 18.537 12.671 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.864 16.855 14.726 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.565 17.023 14.338 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.326 18.792 15.807 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.996 19.617 14.296 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.522 19.141 14.681 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.947 18.545 16.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.273 20.856 16.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.906 20.712 16.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.493 21.290 15.256 1.00 0.00 H new ATOM 514 N HIS A 37 11.874 17.265 9.902 1.00 0.00 N ATOM 515 CA HIS A 37 11.462 17.634 8.552 1.00 0.00 C ATOM 516 C HIS A 37 11.360 16.401 7.659 1.00 0.00 C ATOM 517 O HIS A 37 12.313 15.631 7.538 1.00 0.00 O ATOM 518 CB HIS A 37 12.449 18.634 7.950 1.00 0.00 C ATOM 519 CG HIS A 37 13.879 18.199 8.051 1.00 0.00 C ATOM 520 ND1 HIS A 37 14.428 17.226 7.242 1.00 0.00 N ATOM 521 CD2 HIS A 37 14.874 18.611 8.871 1.00 0.00 C ATOM 522 CE1 HIS A 37 15.699 17.058 7.561 1.00 0.00 C ATOM 523 NE2 HIS A 37 15.995 17.887 8.546 1.00 0.00 N ATOM 0 H HIS A 37 12.868 17.396 10.090 1.00 0.00 H new ATOM 0 HA HIS A 37 10.478 18.099 8.613 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.199 18.792 6.901 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.333 19.594 8.453 1.00 0.00 H new ATOM 0 HD1 HIS A 37 13.931 16.716 6.512 1.00 0.00 H new ATOM 0 HD2 HIS A 37 14.800 19.368 9.638 1.00 0.00 H new ATOM 0 HE1 HIS A 37 16.380 16.361 7.096 1.00 0.00 H new ATOM 532 N GLN A 38 10.199 16.221 7.038 1.00 0.00 N ATOM 533 CA GLN A 38 9.974 15.080 6.157 1.00 0.00 C ATOM 534 C GLN A 38 10.780 15.219 4.870 1.00 0.00 C ATOM 535 O GLN A 38 10.439 16.013 3.993 1.00 0.00 O ATOM 536 CB GLN A 38 8.486 14.949 5.829 1.00 0.00 C ATOM 537 CG GLN A 38 7.585 15.009 7.053 1.00 0.00 C ATOM 538 CD GLN A 38 7.813 13.849 8.002 1.00 0.00 C ATOM 539 OE1 GLN A 38 8.397 14.013 9.073 1.00 0.00 O ATOM 540 NE2 GLN A 38 7.350 12.666 7.613 1.00 0.00 N ATOM 0 H GLN A 38 9.400 16.849 7.128 1.00 0.00 H new ATOM 0 HA GLN A 38 10.305 14.181 6.676 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.203 15.745 5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.318 14.005 5.311 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.759 15.946 7.582 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.543 15.012 6.733 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.872 12.575 6.717 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.473 11.849 8.211 1.00 0.00 H new ATOM 549 N LYS A 39 11.852 14.441 4.763 1.00 0.00 N ATOM 550 CA LYS A 39 12.708 14.475 3.583 1.00 0.00 C ATOM 551 C LYS A 39 13.332 13.108 3.324 1.00 0.00 C ATOM 552 O LYS A 39 13.998 12.545 4.193 1.00 0.00 O ATOM 553 CB LYS A 39 13.807 15.526 3.755 1.00 0.00 C ATOM 554 CG LYS A 39 14.319 16.092 2.441 1.00 0.00 C ATOM 555 CD LYS A 39 15.118 17.366 2.656 1.00 0.00 C ATOM 556 CE LYS A 39 15.818 17.807 1.380 1.00 0.00 C ATOM 557 NZ LYS A 39 17.023 18.634 1.666 1.00 0.00 N ATOM 0 H LYS A 39 12.149 13.779 5.480 1.00 0.00 H new ATOM 0 HA LYS A 39 12.091 14.741 2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.425 16.342 4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.641 15.082 4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.943 15.350 1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.477 16.297 1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.454 18.159 3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.857 17.205 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.109 16.929 0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.124 18.378 0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.472 18.915 0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.743 19.485 2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.697 18.081 2.233 1.00 0.00 H new ATOM 571 N ILE A 40 13.114 12.581 2.124 1.00 0.00 N ATOM 572 CA ILE A 40 13.658 11.281 1.751 1.00 0.00 C ATOM 573 C ILE A 40 15.067 11.417 1.184 1.00 0.00 C ATOM 574 O ILE A 40 15.266 11.384 -0.031 1.00 0.00 O ATOM 575 CB ILE A 40 12.766 10.574 0.714 1.00 0.00 C ATOM 576 CG1 ILE A 40 11.375 10.316 1.297 1.00 0.00 C ATOM 577 CG2 ILE A 40 13.408 9.269 0.265 1.00 0.00 C ATOM 578 CD1 ILE A 40 10.313 10.081 0.246 1.00 0.00 C ATOM 0 H ILE A 40 12.565 13.034 1.394 1.00 0.00 H new ATOM 0 HA ILE A 40 13.691 10.680 2.660 1.00 0.00 H new ATOM 0 HB ILE A 40 12.661 11.223 -0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.421 9.449 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.084 11.168 1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.766 8.781 -0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 40 14.379 9.477 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.540 8.613 1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.353 9.905 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.239 10.957 -0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.581 9.211 -0.354 1.00 0.00 H new ATOM 590 N THR A 41 16.045 11.568 2.072 1.00 0.00 N ATOM 591 CA THR A 41 17.436 11.708 1.661 1.00 0.00 C ATOM 592 C THR A 41 18.225 10.436 1.947 1.00 0.00 C ATOM 593 O THR A 41 19.349 10.490 2.447 1.00 0.00 O ATOM 594 CB THR A 41 18.116 12.892 2.374 1.00 0.00 C ATOM 595 OG1 THR A 41 18.029 12.724 3.794 1.00 0.00 O ATOM 596 CG2 THR A 41 17.469 14.209 1.974 1.00 0.00 C ATOM 0 H THR A 41 15.899 11.596 3.081 1.00 0.00 H new ATOM 0 HA THR A 41 17.431 11.895 0.587 1.00 0.00 H new ATOM 0 HB THR A 41 19.164 12.915 2.074 1.00 0.00 H new ATOM 0 HG1 THR A 41 18.465 13.480 4.240 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.966 15.030 2.490 1.00 0.00 H new ATOM 0 HG22 THR A 41 17.562 14.348 0.897 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.414 14.194 2.248 1.00 0.00 H new ATOM 604 N ASP A 42 17.631 9.292 1.626 1.00 0.00 N ATOM 605 CA ASP A 42 18.279 8.005 1.847 1.00 0.00 C ATOM 606 C ASP A 42 18.029 7.062 0.675 1.00 0.00 C ATOM 607 O ASP A 42 17.067 7.229 -0.075 1.00 0.00 O ATOM 608 CB ASP A 42 17.774 7.371 3.144 1.00 0.00 C ATOM 609 CG ASP A 42 18.318 8.065 4.378 1.00 0.00 C ATOM 610 OD1 ASP A 42 19.499 8.472 4.358 1.00 0.00 O ATOM 611 OD2 ASP A 42 17.562 8.203 5.362 1.00 0.00 O ATOM 0 H ASP A 42 16.701 9.230 1.212 1.00 0.00 H new ATOM 0 HA ASP A 42 19.352 8.177 1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.685 7.406 3.162 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.060 6.319 3.166 1.00 0.00 H new ATOM 616 N SER A 43 18.901 6.070 0.523 1.00 0.00 N ATOM 617 CA SER A 43 18.778 5.103 -0.562 1.00 0.00 C ATOM 618 C SER A 43 17.768 4.015 -0.207 1.00 0.00 C ATOM 619 O SER A 43 18.136 2.864 0.028 1.00 0.00 O ATOM 620 CB SER A 43 20.137 4.472 -0.868 1.00 0.00 C ATOM 621 OG SER A 43 20.999 5.401 -1.503 1.00 0.00 O ATOM 0 H SER A 43 19.700 5.915 1.137 1.00 0.00 H new ATOM 0 HA SER A 43 18.423 5.630 -1.447 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.594 4.120 0.057 1.00 0.00 H new ATOM 0 HB3 SER A 43 20.001 3.601 -1.509 1.00 0.00 H new ATOM 0 HG SER A 43 21.862 4.974 -1.687 1.00 0.00 H new ATOM 627 N ARG A 44 16.493 4.390 -0.170 1.00 0.00 N ATOM 628 CA ARG A 44 15.430 3.448 0.157 1.00 0.00 C ATOM 629 C ARG A 44 14.299 3.528 -0.865 1.00 0.00 C ATOM 630 O ARG A 44 14.222 4.475 -1.647 1.00 0.00 O ATOM 631 CB ARG A 44 14.885 3.728 1.559 1.00 0.00 C ATOM 632 CG ARG A 44 14.091 5.020 1.657 1.00 0.00 C ATOM 633 CD ARG A 44 12.625 4.800 1.321 1.00 0.00 C ATOM 634 NE ARG A 44 12.018 5.985 0.719 1.00 0.00 N ATOM 635 CZ ARG A 44 10.970 5.940 -0.096 1.00 0.00 C ATOM 636 NH1 ARG A 44 10.415 4.776 -0.404 1.00 0.00 N ATOM 637 NH2 ARG A 44 10.474 7.061 -0.604 1.00 0.00 N ATOM 0 H ARG A 44 16.172 5.339 -0.362 1.00 0.00 H new ATOM 0 HA ARG A 44 15.850 2.442 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.250 2.897 1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.717 3.769 2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.177 5.426 2.665 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.514 5.760 0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.533 3.957 0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.081 4.535 2.228 1.00 0.00 H new ATOM 0 HE ARG A 44 12.421 6.896 0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.793 3.912 -0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.610 4.744 -1.030 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.897 7.959 -0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.669 7.025 -1.230 1.00 0.00 H new ATOM 651 N TYR A 45 13.426 2.527 -0.852 1.00 0.00 N ATOM 652 CA TYR A 45 12.302 2.482 -1.780 1.00 0.00 C ATOM 653 C TYR A 45 11.083 1.835 -1.128 1.00 0.00 C ATOM 654 O TYR A 45 11.212 1.045 -0.193 1.00 0.00 O ATOM 655 CB TYR A 45 12.687 1.712 -3.044 1.00 0.00 C ATOM 656 CG TYR A 45 12.953 0.243 -2.801 1.00 0.00 C ATOM 657 CD1 TYR A 45 14.167 -0.186 -2.281 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.989 -0.715 -3.093 1.00 0.00 C ATOM 659 CE1 TYR A 45 14.415 -1.527 -2.058 1.00 0.00 C ATOM 660 CE2 TYR A 45 12.228 -2.057 -2.871 1.00 0.00 C ATOM 661 CZ TYR A 45 13.442 -2.458 -2.354 1.00 0.00 C ATOM 662 OH TYR A 45 13.684 -3.795 -2.134 1.00 0.00 O ATOM 0 H TYR A 45 13.475 1.736 -0.210 1.00 0.00 H new ATOM 0 HA TYR A 45 12.046 3.506 -2.051 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.887 1.811 -3.778 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.577 2.167 -3.479 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.931 0.541 -2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.038 -0.405 -3.500 1.00 0.00 H new ATOM 0 HE1 TYR A 45 15.365 -1.844 -1.654 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.468 -2.789 -3.101 1.00 0.00 H new ATOM 0 HH TYR A 45 14.641 -3.976 -2.240 1.00 0.00 H new ATOM 672 N TYR A 46 9.902 2.177 -1.629 1.00 0.00 N ATOM 673 CA TYR A 46 8.659 1.632 -1.096 1.00 0.00 C ATOM 674 C TYR A 46 8.079 0.579 -2.035 1.00 0.00 C ATOM 675 O TYR A 46 8.205 0.680 -3.256 1.00 0.00 O ATOM 676 CB TYR A 46 7.640 2.751 -0.875 1.00 0.00 C ATOM 677 CG TYR A 46 7.782 3.444 0.462 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.755 2.719 1.647 1.00 0.00 C ATOM 679 CD2 TYR A 46 7.941 4.822 0.539 1.00 0.00 C ATOM 680 CE1 TYR A 46 7.883 3.347 2.871 1.00 0.00 C ATOM 681 CE2 TYR A 46 8.072 5.458 1.759 1.00 0.00 C ATOM 682 CZ TYR A 46 8.042 4.717 2.921 1.00 0.00 C ATOM 683 OH TYR A 46 8.170 5.347 4.138 1.00 0.00 O ATOM 0 H TYR A 46 9.779 2.829 -2.404 1.00 0.00 H new ATOM 0 HA TYR A 46 8.881 1.158 -0.140 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.745 3.489 -1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.635 2.337 -0.955 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.632 1.647 1.611 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.963 5.406 -0.369 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.859 2.769 3.783 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.197 6.530 1.802 1.00 0.00 H new ATOM 0 HH TYR A 46 8.535 4.718 4.795 1.00 0.00 H new ATOM 693 N THR A 47 7.440 -0.433 -1.456 1.00 0.00 N ATOM 694 CA THR A 47 6.840 -1.506 -2.239 1.00 0.00 C ATOM 695 C THR A 47 5.418 -1.798 -1.773 1.00 0.00 C ATOM 696 O THR A 47 5.211 -2.492 -0.777 1.00 0.00 O ATOM 697 CB THR A 47 7.672 -2.799 -2.152 1.00 0.00 C ATOM 698 OG1 THR A 47 8.977 -2.580 -2.700 1.00 0.00 O ATOM 699 CG2 THR A 47 6.988 -3.935 -2.897 1.00 0.00 C ATOM 0 H THR A 47 7.325 -0.532 -0.447 1.00 0.00 H new ATOM 0 HA THR A 47 6.818 -1.166 -3.275 1.00 0.00 H new ATOM 0 HB THR A 47 7.761 -3.077 -1.102 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.500 -3.406 -2.639 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.595 -4.837 -2.821 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.007 -4.119 -2.458 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.871 -3.664 -3.946 1.00 0.00 H new ATOM 707 N VAL A 48 4.441 -1.264 -2.498 1.00 0.00 N ATOM 708 CA VAL A 48 3.037 -1.470 -2.159 1.00 0.00 C ATOM 709 C VAL A 48 2.468 -2.682 -2.888 1.00 0.00 C ATOM 710 O VAL A 48 2.737 -2.891 -4.071 1.00 0.00 O ATOM 711 CB VAL A 48 2.189 -0.231 -2.505 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.761 -0.407 -2.012 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.815 1.024 -1.917 1.00 0.00 C ATOM 0 H VAL A 48 4.595 -0.685 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 48 2.992 -1.643 -1.084 1.00 0.00 H new ATOM 0 HB VAL A 48 2.162 -0.121 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.177 0.478 -2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.318 -1.282 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.764 -0.543 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.203 1.889 -2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.874 0.927 -0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.817 1.156 -2.325 1.00 0.00 H new ATOM 723 N ARG A 49 1.678 -3.477 -2.174 1.00 0.00 N ATOM 724 CA ARG A 49 1.070 -4.669 -2.752 1.00 0.00 C ATOM 725 C ARG A 49 -0.452 -4.578 -2.710 1.00 0.00 C ATOM 726 O ARG A 49 -1.018 -3.849 -1.896 1.00 0.00 O ATOM 727 CB ARG A 49 1.538 -5.920 -2.005 1.00 0.00 C ATOM 728 CG ARG A 49 1.008 -6.013 -0.583 1.00 0.00 C ATOM 729 CD ARG A 49 0.865 -7.459 -0.136 1.00 0.00 C ATOM 730 NE ARG A 49 2.133 -8.181 -0.202 1.00 0.00 N ATOM 731 CZ ARG A 49 2.301 -9.415 0.260 1.00 0.00 C ATOM 732 NH1 ARG A 49 1.286 -10.061 0.818 1.00 0.00 N ATOM 733 NH2 ARG A 49 3.485 -10.005 0.164 1.00 0.00 N ATOM 0 H ARG A 49 1.444 -3.317 -1.194 1.00 0.00 H new ATOM 0 HA ARG A 49 1.384 -4.738 -3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.223 -6.804 -2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.628 -5.931 -1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.682 -5.487 0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.041 -5.514 -0.521 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.485 -7.487 0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.129 -7.961 -0.764 1.00 0.00 H new ATOM 0 HE ARG A 49 2.933 -7.712 -0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.374 -9.610 0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.417 -11.009 1.172 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.268 -9.511 -0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.613 -10.953 0.519 1.00 0.00 H new ATOM 747 N TRP A 50 -1.109 -5.322 -3.593 1.00 0.00 N ATOM 748 CA TRP A 50 -2.566 -5.325 -3.657 1.00 0.00 C ATOM 749 C TRP A 50 -3.080 -6.614 -4.287 1.00 0.00 C ATOM 750 O TRP A 50 -2.477 -7.146 -5.219 1.00 0.00 O ATOM 751 CB TRP A 50 -3.064 -4.119 -4.455 1.00 0.00 C ATOM 752 CG TRP A 50 -2.586 -4.108 -5.876 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.258 -4.571 -6.971 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.331 -3.612 -6.354 1.00 0.00 C ATOM 755 NE1 TRP A 50 -2.497 -4.392 -8.100 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.310 -3.805 -7.749 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.223 -3.022 -5.740 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.225 -3.429 -8.536 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.853 -2.650 -6.523 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.846 -2.854 -7.909 1.00 0.00 C ATOM 0 H TRP A 50 -0.656 -5.931 -4.274 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.950 -5.262 -2.639 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.154 -4.111 -4.446 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.735 -3.205 -3.961 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.243 -5.013 -6.952 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -2.771 -4.654 -9.047 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.208 -2.860 -4.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.229 -3.586 -9.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.715 -2.194 -6.058 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.702 -2.552 -8.493 1.00 0.00 H new ATOM 771 N LYS A 51 -4.199 -7.113 -3.773 1.00 0.00 N ATOM 772 CA LYS A 51 -4.797 -8.340 -4.285 1.00 0.00 C ATOM 773 C LYS A 51 -6.264 -8.442 -3.880 1.00 0.00 C ATOM 774 O LYS A 51 -6.747 -7.664 -3.056 1.00 0.00 O ATOM 775 CB LYS A 51 -4.029 -9.560 -3.770 1.00 0.00 C ATOM 776 CG LYS A 51 -4.282 -9.863 -2.303 1.00 0.00 C ATOM 777 CD LYS A 51 -4.154 -11.348 -2.010 1.00 0.00 C ATOM 778 CE LYS A 51 -4.632 -11.682 -0.606 1.00 0.00 C ATOM 779 NZ LYS A 51 -4.456 -13.127 -0.289 1.00 0.00 N ATOM 0 H LYS A 51 -4.711 -6.686 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.740 -8.315 -5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.305 -10.430 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.962 -9.397 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.573 -9.308 -1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.280 -9.521 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.735 -11.915 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.114 -11.654 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.081 -11.082 0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.684 -11.414 -0.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.230 -13.444 0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.468 -13.680 -1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.547 -13.268 0.196 1.00 0.00 H new ATOM 793 N THR A 52 -6.969 -9.406 -4.463 1.00 0.00 N ATOM 794 CA THR A 52 -8.381 -9.610 -4.162 1.00 0.00 C ATOM 795 C THR A 52 -8.577 -10.784 -3.210 1.00 0.00 C ATOM 796 O THR A 52 -7.929 -11.820 -3.347 1.00 0.00 O ATOM 797 CB THR A 52 -9.198 -9.861 -5.444 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.883 -11.151 -5.980 1.00 0.00 O ATOM 799 CG2 THR A 52 -8.913 -8.790 -6.486 1.00 0.00 C ATOM 0 H THR A 52 -6.585 -10.058 -5.147 1.00 0.00 H new ATOM 0 HA THR A 52 -8.737 -8.697 -3.686 1.00 0.00 H new ATOM 0 HB THR A 52 -10.257 -9.823 -5.187 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.407 -11.304 -6.794 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.501 -8.988 -7.382 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.181 -7.812 -6.085 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.853 -8.801 -6.738 1.00 0.00 H new ATOM 807 N ASN A 53 -9.475 -10.614 -2.245 1.00 0.00 N ATOM 808 CA ASN A 53 -9.756 -11.661 -1.269 1.00 0.00 C ATOM 809 C ASN A 53 -10.705 -12.705 -1.850 1.00 0.00 C ATOM 810 O ASN A 53 -10.867 -13.790 -1.291 1.00 0.00 O ATOM 811 CB ASN A 53 -10.360 -11.055 -0.001 1.00 0.00 C ATOM 812 CG ASN A 53 -10.081 -11.896 1.230 1.00 0.00 C ATOM 813 OD1 ASN A 53 -10.923 -12.683 1.662 1.00 0.00 O ATOM 814 ND2 ASN A 53 -8.894 -11.730 1.802 1.00 0.00 N ATOM 0 H ASN A 53 -10.020 -9.762 -2.118 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.816 -12.151 -1.017 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.957 -10.053 0.147 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.437 -10.949 -0.129 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.649 -12.267 2.634 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.227 -11.066 1.409 1.00 0.00 H new ATOM 821 N ILE A 54 -11.329 -12.369 -2.974 1.00 0.00 N ATOM 822 CA ILE A 54 -12.260 -13.278 -3.631 1.00 0.00 C ATOM 823 C ILE A 54 -11.883 -13.488 -5.094 1.00 0.00 C ATOM 824 O ILE A 54 -12.024 -12.597 -5.931 1.00 0.00 O ATOM 825 CB ILE A 54 -13.706 -12.754 -3.555 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.025 -12.276 -2.137 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.685 -13.835 -3.989 1.00 0.00 C ATOM 828 CD1 ILE A 54 -14.081 -13.396 -1.121 1.00 0.00 C ATOM 0 H ILE A 54 -11.207 -11.474 -3.448 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.199 -14.229 -3.102 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.806 -11.907 -4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.271 -11.553 -1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.982 -11.755 -2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.703 -13.449 -3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.468 -14.131 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.586 -14.700 -3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -14.312 -12.985 -0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -14.855 -14.108 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.117 -13.903 -1.085 1.00 0.00 H new ATOM 840 N PRO A 55 -11.394 -14.696 -5.411 1.00 0.00 N ATOM 841 CA PRO A 55 -11.221 -15.765 -4.422 1.00 0.00 C ATOM 842 C PRO A 55 -10.101 -15.463 -3.432 1.00 0.00 C ATOM 843 O PRO A 55 -9.450 -14.422 -3.516 1.00 0.00 O ATOM 844 CB PRO A 55 -10.864 -16.984 -5.277 1.00 0.00 C ATOM 845 CG PRO A 55 -10.263 -16.416 -6.516 1.00 0.00 C ATOM 846 CD PRO A 55 -10.971 -15.111 -6.759 1.00 0.00 C ATOM 0 HA PRO A 55 -12.112 -15.902 -3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.161 -17.638 -4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.747 -17.581 -5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.191 -16.262 -6.394 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.394 -17.094 -7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.311 -14.375 -7.217 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.823 -15.235 -7.427 1.00 0.00 H new ATOM 854 N ALA A 56 -9.883 -16.379 -2.495 1.00 0.00 N ATOM 855 CA ALA A 56 -8.840 -16.212 -1.490 1.00 0.00 C ATOM 856 C ALA A 56 -7.460 -16.471 -2.084 1.00 0.00 C ATOM 857 O ALA A 56 -6.539 -15.675 -1.907 1.00 0.00 O ATOM 858 CB ALA A 56 -9.092 -17.138 -0.309 1.00 0.00 C ATOM 0 H ALA A 56 -10.415 -17.245 -2.411 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.868 -15.180 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.306 -17.003 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.058 -16.903 0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.093 -18.173 -0.652 1.00 0.00 H new ATOM 864 N ASN A 57 -7.323 -17.590 -2.787 1.00 0.00 N ATOM 865 CA ASN A 57 -6.054 -17.955 -3.406 1.00 0.00 C ATOM 866 C ASN A 57 -5.824 -17.158 -4.686 1.00 0.00 C ATOM 867 O ASN A 57 -6.241 -17.568 -5.770 1.00 0.00 O ATOM 868 CB ASN A 57 -6.024 -19.453 -3.712 1.00 0.00 C ATOM 869 CG ASN A 57 -5.723 -20.289 -2.483 1.00 0.00 C ATOM 870 OD1 ASN A 57 -4.676 -20.931 -2.396 1.00 0.00 O ATOM 871 ND2 ASN A 57 -6.642 -20.283 -1.524 1.00 0.00 N ATOM 0 H ASN A 57 -8.076 -18.260 -2.942 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.255 -17.719 -2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.985 -19.755 -4.127 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.271 -19.650 -4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.494 -20.825 -0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.495 -19.736 -1.639 1.00 0.00 H new ATOM 878 N THR A 58 -5.157 -16.015 -4.554 1.00 0.00 N ATOM 879 CA THR A 58 -4.871 -15.160 -5.699 1.00 0.00 C ATOM 880 C THR A 58 -3.433 -14.656 -5.664 1.00 0.00 C ATOM 881 O THR A 58 -2.819 -14.574 -4.600 1.00 0.00 O ATOM 882 CB THR A 58 -5.826 -13.953 -5.750 1.00 0.00 C ATOM 883 OG1 THR A 58 -5.758 -13.222 -4.521 1.00 0.00 O ATOM 884 CG2 THR A 58 -7.257 -14.404 -6.000 1.00 0.00 C ATOM 0 H THR A 58 -4.805 -15.660 -3.665 1.00 0.00 H new ATOM 0 HA THR A 58 -5.017 -15.768 -6.592 1.00 0.00 H new ATOM 0 HB THR A 58 -5.517 -13.308 -6.573 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.629 -12.813 -4.335 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.912 -13.534 -6.032 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.311 -14.934 -6.951 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.575 -15.068 -5.196 1.00 0.00 H new ATOM 892 N LYS A 59 -2.901 -14.318 -6.833 1.00 0.00 N ATOM 893 CA LYS A 59 -1.535 -13.818 -6.937 1.00 0.00 C ATOM 894 C LYS A 59 -1.420 -12.420 -6.340 1.00 0.00 C ATOM 895 O LYS A 59 -2.376 -11.644 -6.362 1.00 0.00 O ATOM 896 CB LYS A 59 -1.087 -13.799 -8.400 1.00 0.00 C ATOM 897 CG LYS A 59 -0.992 -15.179 -9.026 1.00 0.00 C ATOM 898 CD LYS A 59 -0.048 -15.188 -10.216 1.00 0.00 C ATOM 899 CE LYS A 59 -0.620 -14.407 -11.389 1.00 0.00 C ATOM 900 NZ LYS A 59 0.433 -14.030 -12.372 1.00 0.00 N ATOM 0 H LYS A 59 -3.395 -14.381 -7.723 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.886 -14.488 -6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.787 -13.195 -8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.114 -13.311 -8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.646 -15.895 -8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.983 -15.504 -9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.910 -14.758 -9.924 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.144 -16.217 -10.522 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.383 -15.006 -11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.112 -13.507 -11.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.002 -13.499 -13.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.148 -13.437 -11.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.885 -14.890 -12.743 1.00 0.00 H new ATOM 914 N TYR A 60 -0.244 -12.103 -5.809 1.00 0.00 N ATOM 915 CA TYR A 60 -0.005 -10.797 -5.205 1.00 0.00 C ATOM 916 C TYR A 60 0.583 -9.826 -6.224 1.00 0.00 C ATOM 917 O TYR A 60 1.501 -10.169 -6.969 1.00 0.00 O ATOM 918 CB TYR A 60 0.937 -10.931 -4.008 1.00 0.00 C ATOM 919 CG TYR A 60 0.223 -11.199 -2.702 1.00 0.00 C ATOM 920 CD1 TYR A 60 -0.497 -10.198 -2.063 1.00 0.00 C ATOM 921 CD2 TYR A 60 0.268 -12.454 -2.108 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.150 -10.438 -0.869 1.00 0.00 C ATOM 923 CE2 TYR A 60 -0.383 -12.704 -0.916 1.00 0.00 C ATOM 924 CZ TYR A 60 -1.091 -11.693 -0.300 1.00 0.00 C ATOM 925 OH TYR A 60 -1.740 -11.938 0.888 1.00 0.00 O ATOM 0 H TYR A 60 0.558 -12.732 -5.785 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.961 -10.401 -4.863 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.642 -11.740 -4.200 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.521 -10.016 -3.912 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.547 -9.215 -2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.822 -13.248 -2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.703 -9.647 -0.384 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.338 -13.686 -0.468 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.599 -12.871 1.151 1.00 0.00 H new ATOM 935 N LYS A 61 0.048 -8.610 -6.249 1.00 0.00 N ATOM 936 CA LYS A 61 0.519 -7.585 -7.174 1.00 0.00 C ATOM 937 C LYS A 61 1.206 -6.449 -6.423 1.00 0.00 C ATOM 938 O LYS A 61 0.599 -5.800 -5.572 1.00 0.00 O ATOM 939 CB LYS A 61 -0.649 -7.035 -7.996 1.00 0.00 C ATOM 940 CG LYS A 61 -0.890 -7.791 -9.291 1.00 0.00 C ATOM 941 CD LYS A 61 -0.094 -7.195 -10.440 1.00 0.00 C ATOM 942 CE LYS A 61 0.279 -8.253 -11.467 1.00 0.00 C ATOM 943 NZ LYS A 61 -0.903 -8.705 -12.253 1.00 0.00 N ATOM 0 H LYS A 61 -0.712 -8.310 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 61 1.244 -8.043 -7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.555 -7.068 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.458 -5.987 -8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.614 -8.837 -9.160 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.952 -7.770 -9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.678 -6.410 -10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.811 -6.727 -10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.033 -7.852 -12.144 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.727 -9.108 -10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.607 -9.426 -12.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.613 -9.111 -11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.316 -7.894 -12.756 1.00 0.00 H new ATOM 957 N ASN A 62 2.473 -6.214 -6.745 1.00 0.00 N ATOM 958 CA ASN A 62 3.242 -5.155 -6.101 1.00 0.00 C ATOM 959 C ASN A 62 3.741 -4.143 -7.128 1.00 0.00 C ATOM 960 O ASN A 62 3.649 -4.371 -8.334 1.00 0.00 O ATOM 961 CB ASN A 62 4.427 -5.749 -5.337 1.00 0.00 C ATOM 962 CG ASN A 62 5.107 -6.867 -6.103 1.00 0.00 C ATOM 963 OD1 ASN A 62 6.021 -6.627 -6.892 1.00 0.00 O ATOM 964 ND2 ASN A 62 4.663 -8.097 -5.873 1.00 0.00 N ATOM 0 H ASN A 62 2.990 -6.742 -7.448 1.00 0.00 H new ATOM 0 HA ASN A 62 2.586 -4.640 -5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.152 -4.962 -5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.082 -6.129 -4.375 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.082 -8.890 -6.359 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.903 -8.249 -5.210 1.00 0.00 H new ATOM 971 N ALA A 63 4.269 -3.025 -6.641 1.00 0.00 N ATOM 972 CA ALA A 63 4.785 -1.980 -7.516 1.00 0.00 C ATOM 973 C ALA A 63 6.065 -1.373 -6.951 1.00 0.00 C ATOM 974 O ALA A 63 6.543 -1.784 -5.895 1.00 0.00 O ATOM 975 CB ALA A 63 3.734 -0.899 -7.723 1.00 0.00 C ATOM 0 H ALA A 63 4.351 -2.820 -5.645 1.00 0.00 H new ATOM 0 HA ALA A 63 5.022 -2.432 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.133 -0.125 -8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.846 -1.337 -8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.470 -0.459 -6.761 1.00 0.00 H new ATOM 981 N ASN A 64 6.615 -0.395 -7.663 1.00 0.00 N ATOM 982 CA ASN A 64 7.842 0.266 -7.233 1.00 0.00 C ATOM 983 C ASN A 64 7.737 1.777 -7.416 1.00 0.00 C ATOM 984 O ASN A 64 7.731 2.278 -8.540 1.00 0.00 O ATOM 985 CB ASN A 64 9.039 -0.272 -8.019 1.00 0.00 C ATOM 986 CG ASN A 64 8.709 -0.518 -9.479 1.00 0.00 C ATOM 987 OD1 ASN A 64 8.710 -1.783 -9.881 1.00 0.00 O flip ATOM 988 ND2 ASN A 64 8.457 0.420 -10.236 1.00 0.00 N flip ATOM 0 H ASN A 64 6.231 -0.043 -8.540 1.00 0.00 H new ATOM 0 HA ASN A 64 7.988 0.054 -6.174 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.864 0.437 -7.950 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.380 -1.202 -7.565 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.468 1.377 -9.883 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.237 0.240 -11.216 1.00 0.00 H new ATOM 995 N ALA A 65 7.656 2.498 -6.302 1.00 0.00 N ATOM 996 CA ALA A 65 7.555 3.952 -6.339 1.00 0.00 C ATOM 997 C ALA A 65 8.161 4.576 -5.087 1.00 0.00 C ATOM 998 O ALA A 65 7.708 4.320 -3.971 1.00 0.00 O ATOM 999 CB ALA A 65 6.102 4.376 -6.492 1.00 0.00 C ATOM 0 H ALA A 65 7.658 2.099 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 65 8.119 4.309 -7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.041 5.464 -6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.700 3.968 -7.419 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.523 4.001 -5.649 1.00 0.00 H new ATOM 1005 N THR A 66 9.189 5.397 -5.278 1.00 0.00 N ATOM 1006 CA THR A 66 9.859 6.056 -4.164 1.00 0.00 C ATOM 1007 C THR A 66 9.172 7.371 -3.811 1.00 0.00 C ATOM 1008 O THR A 66 9.433 8.405 -4.426 1.00 0.00 O ATOM 1009 CB THR A 66 11.340 6.334 -4.484 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.448 7.077 -5.703 1.00 0.00 O ATOM 1011 CG2 THR A 66 12.120 5.033 -4.606 1.00 0.00 C ATOM 0 H THR A 66 9.576 5.621 -6.195 1.00 0.00 H new ATOM 0 HA THR A 66 9.800 5.377 -3.313 1.00 0.00 H new ATOM 0 HB THR A 66 11.762 6.918 -3.666 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.748 7.763 -5.731 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.163 5.254 -4.832 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.061 4.484 -3.666 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.695 4.428 -5.407 1.00 0.00 H new ATOM 1019 N THR A 67 8.294 7.325 -2.814 1.00 0.00 N ATOM 1020 CA THR A 67 7.569 8.512 -2.378 1.00 0.00 C ATOM 1021 C THR A 67 6.704 8.212 -1.159 1.00 0.00 C ATOM 1022 O THR A 67 6.571 7.058 -0.748 1.00 0.00 O ATOM 1023 CB THR A 67 6.676 9.069 -3.503 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.700 9.963 -2.956 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.978 7.942 -4.248 1.00 0.00 C ATOM 0 H THR A 67 8.068 6.478 -2.293 1.00 0.00 H new ATOM 0 HA THR A 67 8.317 9.260 -2.114 1.00 0.00 H new ATOM 0 HB THR A 67 7.310 9.610 -4.206 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.137 10.314 -3.677 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.353 8.360 -5.037 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.724 7.280 -4.688 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.356 7.377 -3.554 1.00 0.00 H new ATOM 1033 N LEU A 68 6.118 9.256 -0.585 1.00 0.00 N ATOM 1034 CA LEU A 68 5.264 9.104 0.588 1.00 0.00 C ATOM 1035 C LEU A 68 3.796 9.008 0.184 1.00 0.00 C ATOM 1036 O LEU A 68 2.904 9.352 0.961 1.00 0.00 O ATOM 1037 CB LEU A 68 5.465 10.279 1.546 1.00 0.00 C ATOM 1038 CG LEU A 68 6.775 10.284 2.336 1.00 0.00 C ATOM 1039 CD1 LEU A 68 7.213 11.710 2.634 1.00 0.00 C ATOM 1040 CD2 LEU A 68 6.623 9.490 3.625 1.00 0.00 C ATOM 0 H LEU A 68 6.218 10.217 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 68 5.544 8.180 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.406 11.204 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.637 10.290 2.254 1.00 0.00 H new ATOM 0 HG LEU A 68 7.545 9.809 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.146 11.694 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.363 12.248 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.444 12.212 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.564 9.504 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.839 9.936 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.356 8.460 3.389 1.00 0.00 H new ATOM 1052 N SER A 69 3.552 8.537 -1.035 1.00 0.00 N ATOM 1053 CA SER A 69 2.192 8.398 -1.543 1.00 0.00 C ATOM 1054 C SER A 69 2.150 7.435 -2.725 1.00 0.00 C ATOM 1055 O SER A 69 3.187 7.069 -3.280 1.00 0.00 O ATOM 1056 CB SER A 69 1.639 9.762 -1.961 1.00 0.00 C ATOM 1057 OG SER A 69 2.527 10.422 -2.847 1.00 0.00 O ATOM 0 H SER A 69 4.278 8.245 -1.689 1.00 0.00 H new ATOM 0 HA SER A 69 1.571 7.992 -0.744 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.669 9.633 -2.442 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.477 10.379 -1.077 1.00 0.00 H new ATOM 0 HG SER A 69 2.151 11.290 -3.101 1.00 0.00 H new ATOM 1063 N TYR A 70 0.944 7.027 -3.105 1.00 0.00 N ATOM 1064 CA TYR A 70 0.766 6.105 -4.220 1.00 0.00 C ATOM 1065 C TYR A 70 -0.701 6.028 -4.634 1.00 0.00 C ATOM 1066 O TYR A 70 -1.587 5.856 -3.796 1.00 0.00 O ATOM 1067 CB TYR A 70 1.274 4.712 -3.843 1.00 0.00 C ATOM 1068 CG TYR A 70 1.007 3.664 -4.899 1.00 0.00 C ATOM 1069 CD1 TYR A 70 1.114 3.967 -6.250 1.00 0.00 C ATOM 1070 CD2 TYR A 70 0.647 2.369 -4.545 1.00 0.00 C ATOM 1071 CE1 TYR A 70 0.870 3.012 -7.219 1.00 0.00 C ATOM 1072 CE2 TYR A 70 0.403 1.407 -5.506 1.00 0.00 C ATOM 1073 CZ TYR A 70 0.515 1.734 -6.842 1.00 0.00 C ATOM 1074 OH TYR A 70 0.272 0.780 -7.803 1.00 0.00 O ATOM 0 H TYR A 70 0.076 7.320 -2.657 1.00 0.00 H new ATOM 0 HA TYR A 70 1.345 6.480 -5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.347 4.764 -3.657 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.804 4.403 -2.910 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.393 4.967 -6.549 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.556 2.110 -3.500 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.957 3.265 -8.265 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.126 0.405 -5.213 1.00 0.00 H new ATOM 0 HH TYR A 70 0.437 -0.111 -7.429 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.949 6.157 -5.933 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.308 6.102 -6.461 1.00 0.00 C ATOM 1086 C LEU A 71 -2.513 4.850 -7.307 1.00 0.00 C ATOM 1087 O LEU A 71 -2.039 4.769 -8.441 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.602 7.350 -7.296 1.00 0.00 C ATOM 1089 CG LEU A 71 -4.075 7.611 -7.615 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -4.737 8.383 -6.484 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -4.209 8.367 -8.929 1.00 0.00 C ATOM 0 H LEU A 71 -0.227 6.300 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.998 6.065 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.206 8.218 -6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.056 7.271 -8.236 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.581 6.651 -7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.784 8.560 -6.728 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.672 7.805 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.230 9.338 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.263 8.544 -9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.688 9.322 -8.854 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.771 7.777 -9.734 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.223 3.875 -6.749 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.494 2.627 -7.454 1.00 0.00 C ATOM 1105 C VAL A 72 -4.611 2.805 -8.476 1.00 0.00 C ATOM 1106 O VAL A 72 -5.562 3.554 -8.251 1.00 0.00 O ATOM 1107 CB VAL A 72 -3.884 1.503 -6.475 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -3.883 0.156 -7.181 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -2.942 1.488 -5.280 1.00 0.00 C ATOM 0 H VAL A 72 -3.621 3.925 -5.811 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.575 2.348 -7.969 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.893 1.695 -6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.161 -0.626 -6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.600 0.175 -8.001 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.887 -0.048 -7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.232 0.688 -4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.921 1.320 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.997 2.445 -4.761 1.00 0.00 H new ATOM 1119 N THR A 73 -4.490 2.110 -9.603 1.00 0.00 N ATOM 1120 CA THR A 73 -5.489 2.191 -10.662 1.00 0.00 C ATOM 1121 C THR A 73 -5.597 0.872 -11.418 1.00 0.00 C ATOM 1122 O THR A 73 -4.633 0.112 -11.500 1.00 0.00 O ATOM 1123 CB THR A 73 -5.158 3.316 -11.661 1.00 0.00 C ATOM 1124 OG1 THR A 73 -3.793 3.213 -12.081 1.00 0.00 O ATOM 1125 CG2 THR A 73 -5.400 4.682 -11.037 1.00 0.00 C ATOM 0 H THR A 73 -3.710 1.485 -9.806 1.00 0.00 H new ATOM 0 HA THR A 73 -6.442 2.410 -10.181 1.00 0.00 H new ATOM 0 HB THR A 73 -5.813 3.208 -12.526 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.591 3.931 -12.717 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.159 5.461 -11.761 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.447 4.769 -10.745 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.767 4.797 -10.157 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.777 0.606 -11.969 1.00 0.00 N ATOM 1134 CA GLY A 74 -6.989 -0.623 -12.712 1.00 0.00 C ATOM 1135 C GLY A 74 -7.493 -1.751 -11.835 1.00 0.00 C ATOM 1136 O GLY A 74 -7.007 -2.879 -11.920 1.00 0.00 O ATOM 0 H GLY A 74 -7.590 1.219 -11.914 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.706 -0.441 -13.512 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.054 -0.924 -13.184 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.470 -1.448 -10.987 1.00 0.00 N ATOM 1141 CA LEU A 75 -9.040 -2.445 -10.088 1.00 0.00 C ATOM 1142 C LEU A 75 -10.484 -2.759 -10.467 1.00 0.00 C ATOM 1143 O LEU A 75 -11.103 -2.036 -11.248 1.00 0.00 O ATOM 1144 CB LEU A 75 -8.977 -1.952 -8.641 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.612 -1.461 -8.158 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -7.776 -0.390 -7.091 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -6.784 -2.623 -7.628 1.00 0.00 C ATOM 0 H LEU A 75 -8.884 -0.520 -10.903 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.452 -3.358 -10.180 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.695 -1.141 -8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.301 -2.762 -7.988 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.085 -1.022 -9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.794 -0.053 -6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.329 0.454 -7.504 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.323 -0.802 -6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.816 -2.255 -7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.307 -3.092 -6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.636 -3.356 -8.421 1.00 0.00 H new ATOM 1159 N LYS A 76 -11.015 -3.841 -9.909 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.387 -4.250 -10.185 1.00 0.00 C ATOM 1161 C LYS A 76 -13.362 -3.560 -9.237 1.00 0.00 C ATOM 1162 O LYS A 76 -13.102 -3.407 -8.043 1.00 0.00 O ATOM 1163 CB LYS A 76 -12.523 -5.769 -10.057 1.00 0.00 C ATOM 1164 CG LYS A 76 -13.748 -6.331 -10.758 1.00 0.00 C ATOM 1165 CD LYS A 76 -13.785 -7.848 -10.686 1.00 0.00 C ATOM 1166 CE LYS A 76 -15.195 -8.382 -10.884 1.00 0.00 C ATOM 1167 NZ LYS A 76 -15.364 -9.737 -10.291 1.00 0.00 N ATOM 0 H LYS A 76 -10.516 -4.451 -9.262 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.630 -3.954 -11.206 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.631 -6.241 -10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.566 -6.034 -9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.649 -5.922 -10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.748 -6.015 -11.801 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.127 -8.265 -11.448 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.403 -8.177 -9.720 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.910 -7.696 -10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.422 -8.421 -11.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.338 -10.065 -10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.699 -10.398 -10.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.172 -9.695 -9.270 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.513 -3.133 -9.778 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.550 -2.453 -8.997 1.00 0.00 C ATOM 1183 C PRO A 77 -16.246 -3.391 -8.017 1.00 0.00 C ATOM 1184 O PRO A 77 -16.238 -4.608 -8.197 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.536 -1.968 -10.063 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.344 -2.900 -11.209 1.00 0.00 C ATOM 1187 CD PRO A 77 -14.889 -3.281 -11.194 1.00 0.00 C ATOM 0 HA PRO A 77 -15.138 -1.653 -8.382 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.562 -1.998 -9.696 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.331 -0.937 -10.352 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -16.979 -3.780 -11.107 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.612 -2.421 -12.151 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.737 -4.301 -11.546 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.296 -2.631 -11.837 1.00 0.00 H new ATOM 1195 N ASN A 78 -16.847 -2.817 -6.980 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.547 -3.603 -5.970 1.00 0.00 C ATOM 1197 C ASN A 78 -16.772 -4.874 -5.636 1.00 0.00 C ATOM 1198 O ASN A 78 -17.318 -5.977 -5.677 1.00 0.00 O ATOM 1199 CB ASN A 78 -18.952 -3.963 -6.458 1.00 0.00 C ATOM 1200 CG ASN A 78 -19.940 -4.111 -5.317 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -20.291 -3.135 -4.655 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -20.392 -5.337 -5.082 1.00 0.00 N ATOM 0 H ASN A 78 -16.863 -1.810 -6.817 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.627 -2.999 -5.066 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.305 -3.192 -7.143 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -18.910 -4.895 -7.022 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -21.058 -5.499 -4.327 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -20.073 -6.117 -5.657 1.00 0.00 H new ATOM 1209 N THR A 79 -15.494 -4.712 -5.305 1.00 0.00 N ATOM 1210 CA THR A 79 -14.643 -5.845 -4.964 1.00 0.00 C ATOM 1211 C THR A 79 -13.678 -5.488 -3.840 1.00 0.00 C ATOM 1212 O THR A 79 -13.001 -4.460 -3.891 1.00 0.00 O ATOM 1213 CB THR A 79 -13.837 -6.328 -6.184 1.00 0.00 C ATOM 1214 OG1 THR A 79 -14.721 -6.622 -7.271 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.022 -7.566 -5.838 1.00 0.00 C ATOM 0 H THR A 79 -15.026 -3.807 -5.266 1.00 0.00 H new ATOM 0 HA THR A 79 -15.302 -6.648 -4.632 1.00 0.00 H new ATOM 0 HB THR A 79 -13.153 -5.532 -6.478 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.123 -5.791 -7.600 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.461 -7.889 -6.715 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.329 -7.331 -5.030 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.692 -8.365 -5.521 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.617 -6.344 -2.825 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.733 -6.120 -1.687 1.00 0.00 C ATOM 1225 C LEU A 80 -11.270 -6.158 -2.118 1.00 0.00 C ATOM 1226 O LEU A 80 -10.831 -7.100 -2.778 1.00 0.00 O ATOM 1227 CB LEU A 80 -12.985 -7.171 -0.605 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.457 -6.838 0.791 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -10.940 -6.734 0.777 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -13.077 -5.545 1.301 1.00 0.00 C ATOM 0 H LEU A 80 -14.170 -7.199 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.948 -5.131 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.059 -7.340 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.535 -8.110 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.739 -7.645 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.582 -6.496 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.513 -7.684 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.636 -5.947 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.690 -5.323 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -12.825 -4.729 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.160 -5.655 1.350 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.520 -5.129 -1.739 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.107 -5.045 -2.087 1.00 0.00 C ATOM 1244 C TYR A 81 -8.261 -4.724 -0.858 1.00 0.00 C ATOM 1245 O TYR A 81 -8.717 -4.044 0.061 1.00 0.00 O ATOM 1246 CB TYR A 81 -8.887 -3.980 -3.163 1.00 0.00 C ATOM 1247 CG TYR A 81 -9.001 -4.512 -4.574 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -7.927 -5.143 -5.188 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -10.184 -4.382 -5.292 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -8.027 -5.630 -6.477 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -10.293 -4.868 -6.581 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.212 -5.490 -7.169 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.316 -5.973 -8.453 1.00 0.00 O ATOM 0 H TYR A 81 -10.867 -4.342 -1.191 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.797 -6.015 -2.476 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.615 -3.181 -3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.899 -3.539 -3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.998 -5.255 -4.649 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.032 -3.893 -4.835 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.182 -6.118 -6.940 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.220 -4.761 -7.125 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.124 -6.523 -8.531 1.00 0.00 H new ATOM 1263 N GLU A 82 -7.028 -5.219 -0.851 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.118 -4.986 0.265 1.00 0.00 C ATOM 1265 C GLU A 82 -4.925 -4.141 -0.173 1.00 0.00 C ATOM 1266 O GLU A 82 -4.424 -4.286 -1.288 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.631 -6.316 0.842 1.00 0.00 C ATOM 1268 CG GLU A 82 -4.240 -6.243 1.449 1.00 0.00 C ATOM 1269 CD GLU A 82 -3.143 -6.309 0.404 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -3.258 -7.133 -0.527 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -2.169 -5.534 0.517 1.00 0.00 O ATOM 0 H GLU A 82 -6.636 -5.784 -1.605 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.663 -4.442 1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.334 -6.651 1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.635 -7.068 0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.143 -5.316 2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.113 -7.063 2.156 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.476 -3.258 0.713 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.343 -2.388 0.418 1.00 0.00 C ATOM 1280 C PHE A 83 -2.399 -2.301 1.614 1.00 0.00 C ATOM 1281 O PHE A 83 -2.837 -2.161 2.755 1.00 0.00 O ATOM 1282 CB PHE A 83 -3.832 -0.989 0.038 1.00 0.00 C ATOM 1283 CG PHE A 83 -4.794 -0.984 -1.116 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.357 -1.259 -2.401 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.136 -0.704 -0.915 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -5.239 -1.254 -3.465 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -7.024 -0.698 -1.974 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.575 -0.974 -3.251 1.00 0.00 C ATOM 0 H PHE A 83 -4.879 -3.126 1.641 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.798 -2.816 -0.423 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.313 -0.533 0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.972 -0.368 -0.213 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.314 -1.480 -2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.492 -0.488 0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.884 -1.469 -4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.067 -0.478 -1.803 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.267 -0.971 -4.080 1.00 0.00 H new ATOM 1298 N SER A 84 -1.100 -2.387 1.342 1.00 0.00 N ATOM 1299 CA SER A 84 -0.093 -2.323 2.394 1.00 0.00 C ATOM 1300 C SER A 84 1.199 -1.702 1.873 1.00 0.00 C ATOM 1301 O SER A 84 1.543 -1.850 0.700 1.00 0.00 O ATOM 1302 CB SER A 84 0.187 -3.721 2.948 1.00 0.00 C ATOM 1303 OG SER A 84 0.792 -4.546 1.967 1.00 0.00 O ATOM 0 H SER A 84 -0.721 -2.501 0.402 1.00 0.00 H new ATOM 0 HA SER A 84 -0.481 -1.694 3.195 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.839 -3.647 3.818 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.745 -4.175 3.286 1.00 0.00 H new ATOM 0 HG SER A 84 1.628 -4.916 2.321 1.00 0.00 H new ATOM 1309 N VAL A 85 1.911 -1.005 2.753 1.00 0.00 N ATOM 1310 CA VAL A 85 3.166 -0.362 2.383 1.00 0.00 C ATOM 1311 C VAL A 85 4.328 -0.914 3.201 1.00 0.00 C ATOM 1312 O VAL A 85 4.261 -0.980 4.428 1.00 0.00 O ATOM 1313 CB VAL A 85 3.094 1.164 2.579 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.275 1.846 1.906 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.777 1.708 2.044 1.00 0.00 C ATOM 0 H VAL A 85 1.640 -0.871 3.727 1.00 0.00 H new ATOM 0 HA VAL A 85 3.333 -0.578 1.328 1.00 0.00 H new ATOM 0 HB VAL A 85 3.143 1.378 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.206 2.924 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.204 1.478 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.262 1.626 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.743 2.788 2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.696 1.483 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.948 1.243 2.577 1.00 0.00 H new ATOM 1325 N MET A 86 5.394 -1.309 2.513 1.00 0.00 N ATOM 1326 CA MET A 86 6.573 -1.853 3.177 1.00 0.00 C ATOM 1327 C MET A 86 7.833 -1.111 2.743 1.00 0.00 C ATOM 1328 O MET A 86 7.884 -0.537 1.655 1.00 0.00 O ATOM 1329 CB MET A 86 6.715 -3.345 2.867 1.00 0.00 C ATOM 1330 CG MET A 86 7.504 -3.631 1.600 1.00 0.00 C ATOM 1331 SD MET A 86 9.270 -3.823 1.910 1.00 0.00 S ATOM 1332 CE MET A 86 9.377 -5.591 2.176 1.00 0.00 C ATOM 0 H MET A 86 5.466 -1.263 1.497 1.00 0.00 H new ATOM 0 HA MET A 86 6.447 -1.721 4.252 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.203 -3.837 3.708 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.722 -3.784 2.773 1.00 0.00 H new ATOM 0 HG2 MET A 86 7.120 -4.539 1.135 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.350 -2.819 0.890 1.00 0.00 H new ATOM 0 HE1 MET A 86 10.336 -5.957 1.809 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.291 -5.805 3.241 1.00 0.00 H new ATOM 0 HE3 MET A 86 8.569 -6.089 1.640 1.00 0.00 H new ATOM 1342 N VAL A 87 8.847 -1.124 3.602 1.00 0.00 N ATOM 1343 CA VAL A 87 10.107 -0.452 3.307 1.00 0.00 C ATOM 1344 C VAL A 87 11.263 -1.446 3.267 1.00 0.00 C ATOM 1345 O VAL A 87 11.328 -2.374 4.073 1.00 0.00 O ATOM 1346 CB VAL A 87 10.419 0.639 4.349 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.366 0.064 5.756 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.776 1.268 4.071 1.00 0.00 C ATOM 0 H VAL A 87 8.821 -1.592 4.508 1.00 0.00 H new ATOM 0 HA VAL A 87 9.996 0.013 2.327 1.00 0.00 H new ATOM 0 HB VAL A 87 9.661 1.418 4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.589 0.849 6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.370 -0.334 5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.101 -0.735 5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.980 2.037 4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.549 0.501 4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.772 1.718 3.078 1.00 0.00 H new ATOM 1358 N THR A 88 12.177 -1.244 2.322 1.00 0.00 N ATOM 1359 CA THR A 88 13.331 -2.122 2.175 1.00 0.00 C ATOM 1360 C THR A 88 14.601 -1.321 1.913 1.00 0.00 C ATOM 1361 O THR A 88 14.619 -0.423 1.071 1.00 0.00 O ATOM 1362 CB THR A 88 13.128 -3.130 1.029 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.245 -4.177 1.447 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.457 -3.725 0.590 1.00 0.00 C ATOM 0 H THR A 88 12.140 -0.480 1.647 1.00 0.00 H new ATOM 0 HA THR A 88 13.435 -2.667 3.113 1.00 0.00 H new ATOM 0 HB THR A 88 12.688 -2.601 0.184 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.316 -3.893 1.317 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.288 -4.434 -0.220 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.116 -2.928 0.244 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.921 -4.239 1.431 1.00 0.00 H new ATOM 1372 N LYS A 89 15.664 -1.651 2.639 1.00 0.00 N ATOM 1373 CA LYS A 89 16.941 -0.964 2.484 1.00 0.00 C ATOM 1374 C LYS A 89 18.040 -1.676 3.266 1.00 0.00 C ATOM 1375 O LYS A 89 17.784 -2.279 4.308 1.00 0.00 O ATOM 1376 CB LYS A 89 16.823 0.487 2.956 1.00 0.00 C ATOM 1377 CG LYS A 89 18.110 1.280 2.812 1.00 0.00 C ATOM 1378 CD LYS A 89 18.970 1.180 4.060 1.00 0.00 C ATOM 1379 CE LYS A 89 18.624 2.269 5.064 1.00 0.00 C ATOM 1380 NZ LYS A 89 19.174 3.592 4.658 1.00 0.00 N ATOM 0 H LYS A 89 15.666 -2.391 3.341 1.00 0.00 H new ATOM 0 HA LYS A 89 17.206 -0.976 1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.036 0.982 2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.516 0.496 4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 89 18.671 0.912 1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.874 2.326 2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.832 0.202 4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 89 20.022 1.258 3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.541 2.341 5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 89 19.017 1.998 6.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.066 4.268 5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 20.182 3.492 4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.658 3.942 3.825 1.00 0.00 H new ATOM 1394 N GLY A 90 19.266 -1.601 2.757 1.00 0.00 N ATOM 1395 CA GLY A 90 20.386 -2.242 3.421 1.00 0.00 C ATOM 1396 C GLY A 90 20.218 -3.745 3.521 1.00 0.00 C ATOM 1397 O GLY A 90 20.515 -4.343 4.555 1.00 0.00 O ATOM 0 H GLY A 90 19.504 -1.108 1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 90 21.304 -2.018 2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.498 -1.825 4.422 1.00 0.00 H new ATOM 1401 N ARG A 91 19.739 -4.358 2.443 1.00 0.00 N ATOM 1402 CA ARG A 91 19.529 -5.801 2.415 1.00 0.00 C ATOM 1403 C ARG A 91 18.546 -6.229 3.501 1.00 0.00 C ATOM 1404 O ARG A 91 18.599 -7.358 3.990 1.00 0.00 O ATOM 1405 CB ARG A 91 20.859 -6.535 2.597 1.00 0.00 C ATOM 1406 CG ARG A 91 21.814 -6.364 1.427 1.00 0.00 C ATOM 1407 CD ARG A 91 23.255 -6.611 1.844 1.00 0.00 C ATOM 1408 NE ARG A 91 23.543 -8.035 2.001 1.00 0.00 N ATOM 1409 CZ ARG A 91 24.572 -8.504 2.698 1.00 0.00 C ATOM 1410 NH1 ARG A 91 25.406 -7.668 3.300 1.00 0.00 N ATOM 1411 NH2 ARG A 91 24.767 -9.813 2.795 1.00 0.00 N ATOM 0 H ARG A 91 19.489 -3.878 1.578 1.00 0.00 H new ATOM 0 HA ARG A 91 19.107 -6.063 1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.342 -6.174 3.505 1.00 0.00 H new ATOM 0 HB3 ARG A 91 20.661 -7.597 2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 91 21.541 -7.055 0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 91 21.719 -5.356 1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 91 23.926 -6.185 1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 91 23.454 -6.095 2.783 1.00 0.00 H new ATOM 0 HE ARG A 91 22.920 -8.705 1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 91 25.259 -6.661 3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 91 26.195 -8.031 3.834 1.00 0.00 H new ATOM 0 HH21 ARG A 91 24.127 -10.460 2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 91 25.557 -10.173 3.330 1.00 0.00 H new ATOM 1425 N ARG A 92 17.652 -5.319 3.874 1.00 0.00 N ATOM 1426 CA ARG A 92 16.659 -5.602 4.904 1.00 0.00 C ATOM 1427 C ARG A 92 15.269 -5.165 4.452 1.00 0.00 C ATOM 1428 O ARG A 92 15.116 -4.518 3.416 1.00 0.00 O ATOM 1429 CB ARG A 92 17.030 -4.894 6.208 1.00 0.00 C ATOM 1430 CG ARG A 92 18.355 -5.351 6.794 1.00 0.00 C ATOM 1431 CD ARG A 92 18.595 -4.746 8.169 1.00 0.00 C ATOM 1432 NE ARG A 92 19.641 -5.453 8.903 1.00 0.00 N ATOM 1433 CZ ARG A 92 20.939 -5.305 8.660 1.00 0.00 C ATOM 1434 NH1 ARG A 92 21.347 -4.478 7.707 1.00 0.00 N ATOM 1435 NH2 ARG A 92 21.830 -5.983 9.371 1.00 0.00 N ATOM 0 H ARG A 92 17.595 -4.380 3.479 1.00 0.00 H new ATOM 0 HA ARG A 92 16.645 -6.678 5.075 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.073 -3.820 6.029 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.241 -5.063 6.941 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.366 -6.439 6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.167 -5.068 6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 92 18.874 -3.698 8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 92 17.669 -4.772 8.743 1.00 0.00 H new ATOM 0 HE ARG A 92 19.360 -6.096 9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.664 -3.954 7.159 1.00 0.00 H new ATOM 0 HH12 ARG A 92 22.344 -4.365 7.522 1.00 0.00 H new ATOM 0 HH21 ARG A 92 21.519 -6.619 10.105 1.00 0.00 H new ATOM 0 HH22 ARG A 92 22.826 -5.868 9.183 1.00 0.00 H new ATOM 1449 N SER A 93 14.257 -5.523 5.237 1.00 0.00 N ATOM 1450 CA SER A 93 12.879 -5.172 4.916 1.00 0.00 C ATOM 1451 C SER A 93 12.016 -5.155 6.174 1.00 0.00 C ATOM 1452 O SER A 93 12.387 -5.720 7.203 1.00 0.00 O ATOM 1453 CB SER A 93 12.302 -6.160 3.901 1.00 0.00 C ATOM 1454 OG SER A 93 12.037 -7.415 4.504 1.00 0.00 O ATOM 0 H SER A 93 14.366 -6.056 6.100 1.00 0.00 H new ATOM 0 HA SER A 93 12.876 -4.173 4.481 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.383 -5.755 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.003 -6.290 3.076 1.00 0.00 H new ATOM 0 HG SER A 93 11.667 -8.028 3.835 1.00 0.00 H new ATOM 1460 N SER A 94 10.861 -4.502 6.083 1.00 0.00 N ATOM 1461 CA SER A 94 9.946 -4.407 7.214 1.00 0.00 C ATOM 1462 C SER A 94 8.613 -5.075 6.891 1.00 0.00 C ATOM 1463 O SER A 94 8.193 -5.125 5.735 1.00 0.00 O ATOM 1464 CB SER A 94 9.717 -2.942 7.591 1.00 0.00 C ATOM 1465 OG SER A 94 8.808 -2.322 6.699 1.00 0.00 O ATOM 0 H SER A 94 10.537 -4.031 5.238 1.00 0.00 H new ATOM 0 HA SER A 94 10.398 -4.926 8.060 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.331 -2.881 8.609 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.667 -2.407 7.578 1.00 0.00 H new ATOM 0 HG SER A 94 7.890 -2.525 6.974 1.00 0.00 H new ATOM 1471 N THR A 95 7.950 -5.588 7.923 1.00 0.00 N ATOM 1472 CA THR A 95 6.665 -6.254 7.751 1.00 0.00 C ATOM 1473 C THR A 95 5.655 -5.334 7.074 1.00 0.00 C ATOM 1474 O THR A 95 5.897 -4.137 6.921 1.00 0.00 O ATOM 1475 CB THR A 95 6.090 -6.723 9.102 1.00 0.00 C ATOM 1476 OG1 THR A 95 4.737 -7.160 8.932 1.00 0.00 O ATOM 1477 CG2 THR A 95 6.142 -5.603 10.130 1.00 0.00 C ATOM 0 H THR A 95 8.282 -5.555 8.887 1.00 0.00 H new ATOM 0 HA THR A 95 6.842 -7.123 7.118 1.00 0.00 H new ATOM 0 HB THR A 95 6.697 -7.553 9.463 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.129 -6.403 9.066 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.731 -5.957 11.075 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.176 -5.292 10.278 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.556 -4.755 9.775 1.00 0.00 H new ATOM 1485 N TRP A 96 4.524 -5.901 6.670 1.00 0.00 N ATOM 1486 CA TRP A 96 3.477 -5.131 6.009 1.00 0.00 C ATOM 1487 C TRP A 96 2.663 -4.336 7.024 1.00 0.00 C ATOM 1488 O TRP A 96 1.906 -4.906 7.810 1.00 0.00 O ATOM 1489 CB TRP A 96 2.557 -6.059 5.214 1.00 0.00 C ATOM 1490 CG TRP A 96 3.202 -6.624 3.984 1.00 0.00 C ATOM 1491 CD1 TRP A 96 3.563 -7.923 3.772 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.562 -5.906 2.800 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.127 -8.056 2.526 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.138 -6.833 1.909 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.454 -4.570 2.403 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 4.602 -6.465 0.649 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 3.916 -4.206 1.153 1.00 0.00 C ATOM 1498 CH2 TRP A 96 4.483 -5.151 0.287 1.00 0.00 C ATOM 0 H TRP A 96 4.309 -6.891 6.789 1.00 0.00 H new ATOM 0 HA TRP A 96 3.954 -4.430 5.324 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.236 -6.879 5.857 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.660 -5.510 4.926 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.426 -8.728 4.479 1.00 0.00 H new ATOM 0 HE1 TRP A 96 4.480 -8.925 2.125 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.017 -3.835 3.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.041 -7.191 -0.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.839 -3.176 0.838 1.00 0.00 H new ATOM 0 HH2 TRP A 96 4.833 -4.836 -0.685 1.00 0.00 H new ATOM 1509 N SER A 97 2.824 -3.017 7.002 1.00 0.00 N ATOM 1510 CA SER A 97 2.106 -2.143 7.923 1.00 0.00 C ATOM 1511 C SER A 97 0.610 -2.445 7.903 1.00 0.00 C ATOM 1512 O SER A 97 0.145 -3.282 7.130 1.00 0.00 O ATOM 1513 CB SER A 97 2.347 -0.677 7.562 1.00 0.00 C ATOM 1514 OG SER A 97 1.786 -0.364 6.299 1.00 0.00 O ATOM 0 H SER A 97 3.445 -2.530 6.356 1.00 0.00 H new ATOM 0 HA SER A 97 2.483 -2.328 8.929 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.910 -0.034 8.327 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.418 -0.474 7.548 1.00 0.00 H new ATOM 0 HG SER A 97 2.456 -0.509 5.599 1.00 0.00 H new ATOM 1520 N MET A 98 -0.137 -1.755 8.759 1.00 0.00 N ATOM 1521 CA MET A 98 -1.581 -1.948 8.839 1.00 0.00 C ATOM 1522 C MET A 98 -2.205 -1.967 7.447 1.00 0.00 C ATOM 1523 O MET A 98 -2.155 -0.975 6.719 1.00 0.00 O ATOM 1524 CB MET A 98 -2.218 -0.841 9.681 1.00 0.00 C ATOM 1525 CG MET A 98 -1.769 0.557 9.288 1.00 0.00 C ATOM 1526 SD MET A 98 -2.243 1.805 10.500 1.00 0.00 S ATOM 1527 CE MET A 98 -0.784 1.841 11.539 1.00 0.00 C ATOM 0 H MET A 98 0.233 -1.058 9.406 1.00 0.00 H new ATOM 0 HA MET A 98 -1.768 -2.911 9.315 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.302 -0.905 9.589 1.00 0.00 H new ATOM 0 HB3 MET A 98 -1.976 -1.010 10.730 1.00 0.00 H new ATOM 0 HG2 MET A 98 -0.686 0.566 9.168 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.199 0.814 8.320 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.078 2.018 12.573 1.00 0.00 H new ATOM 0 HE2 MET A 98 -0.263 0.886 11.468 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.121 2.641 11.208 1.00 0.00 H new ATOM 1537 N THR A 99 -2.793 -3.102 7.082 1.00 0.00 N ATOM 1538 CA THR A 99 -3.425 -3.251 5.778 1.00 0.00 C ATOM 1539 C THR A 99 -4.745 -2.492 5.717 1.00 0.00 C ATOM 1540 O THR A 99 -5.626 -2.692 6.553 1.00 0.00 O ATOM 1541 CB THR A 99 -3.681 -4.732 5.443 1.00 0.00 C ATOM 1542 OG1 THR A 99 -2.455 -5.369 5.068 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.693 -4.865 4.315 1.00 0.00 C ATOM 0 H THR A 99 -2.844 -3.932 7.672 1.00 0.00 H new ATOM 0 HA THR A 99 -2.735 -2.835 5.044 1.00 0.00 H new ATOM 0 HB THR A 99 -4.085 -5.217 6.331 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.627 -6.311 4.858 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.857 -5.920 4.096 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.635 -4.406 4.615 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.313 -4.365 3.424 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.877 -1.620 4.723 1.00 0.00 N ATOM 1552 CA ALA A 100 -6.092 -0.833 4.552 1.00 0.00 C ATOM 1553 C ALA A 100 -6.996 -1.444 3.487 1.00 0.00 C ATOM 1554 O ALA A 100 -6.594 -1.603 2.333 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.744 0.603 4.191 1.00 0.00 C ATOM 0 H ALA A 100 -4.157 -1.441 4.023 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.634 -0.837 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.661 1.179 4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.144 1.043 4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.177 0.617 3.260 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.219 -1.785 3.880 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.181 -2.378 2.957 1.00 0.00 C ATOM 1563 C HIS A 101 -10.067 -1.306 2.332 1.00 0.00 C ATOM 1564 O HIS A 101 -10.731 -0.547 3.036 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.044 -3.411 3.683 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.271 -4.590 4.188 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.176 -4.910 5.526 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -8.556 -5.529 3.526 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -8.434 -5.994 5.665 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -8.045 -6.390 4.467 1.00 0.00 N ATOM 0 H HIS A 101 -8.567 -1.661 4.831 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.626 -2.874 2.161 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.544 -2.928 4.523 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.823 -3.761 3.006 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.414 -5.590 2.457 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.187 -6.475 6.600 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.460 -7.203 4.272 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.071 -1.249 1.003 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.878 -0.265 0.305 1.00 0.00 C ATOM 1581 C GLY A 102 -11.762 -0.889 -0.756 1.00 0.00 C ATOM 1582 O GLY A 102 -11.270 -1.475 -1.721 1.00 0.00 O ATOM 0 H GLY A 102 -9.530 -1.867 0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.500 0.267 1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.224 0.474 -0.159 1.00 0.00 H new ATOM 1586 N THR A 103 -13.074 -0.764 -0.580 1.00 0.00 N ATOM 1587 CA THR A 103 -14.030 -1.322 -1.528 1.00 0.00 C ATOM 1588 C THR A 103 -14.469 -0.276 -2.546 1.00 0.00 C ATOM 1589 O THR A 103 -15.266 0.611 -2.236 1.00 0.00 O ATOM 1590 CB THR A 103 -15.274 -1.879 -0.811 1.00 0.00 C ATOM 1591 OG1 THR A 103 -14.886 -2.885 0.132 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.257 -2.467 -1.811 1.00 0.00 C ATOM 0 H THR A 103 -13.499 -0.281 0.211 1.00 0.00 H new ATOM 0 HA THR A 103 -13.523 -2.137 -2.044 1.00 0.00 H new ATOM 0 HB THR A 103 -15.762 -1.058 -0.286 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.682 -3.233 0.585 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.127 -2.854 -1.281 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.573 -1.692 -2.510 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.777 -3.277 -2.360 1.00 0.00 H new ATOM 1600 N THR A 104 -13.947 -0.384 -3.763 1.00 0.00 N ATOM 1601 CA THR A 104 -14.285 0.553 -4.827 1.00 0.00 C ATOM 1602 C THR A 104 -15.796 0.670 -4.996 1.00 0.00 C ATOM 1603 O THR A 104 -16.553 -0.162 -4.495 1.00 0.00 O ATOM 1604 CB THR A 104 -13.660 0.129 -6.169 1.00 0.00 C ATOM 1605 OG1 THR A 104 -13.998 -1.232 -6.459 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.148 0.285 -6.136 1.00 0.00 C ATOM 0 H THR A 104 -13.287 -1.112 -4.037 1.00 0.00 H new ATOM 0 HA THR A 104 -13.878 1.522 -4.537 1.00 0.00 H new ATOM 0 HB THR A 104 -14.059 0.776 -6.950 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.360 -1.597 -7.107 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.730 -0.021 -7.095 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.894 1.328 -5.945 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.735 -0.340 -5.344 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.228 1.707 -5.706 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.649 1.932 -5.942 1.00 0.00 C ATOM 1616 C PHE A 105 -18.164 1.036 -7.065 1.00 0.00 C ATOM 1617 O PHE A 105 -17.384 0.505 -7.855 1.00 0.00 O ATOM 1618 CB PHE A 105 -17.904 3.400 -6.289 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.620 4.342 -5.154 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.326 4.249 -3.965 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.648 5.322 -5.276 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -18.068 5.114 -2.919 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.385 6.190 -4.233 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.096 6.086 -3.053 1.00 0.00 C ATOM 0 H PHE A 105 -15.615 2.404 -6.128 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.187 1.683 -5.027 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.286 3.676 -7.143 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -18.943 3.517 -6.597 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -19.087 3.491 -3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.090 5.409 -6.196 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.626 5.030 -1.998 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -15.624 6.949 -4.340 1.00 0.00 H new ATOM 0 HZ PHE A 105 -16.892 6.763 -2.237 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.481 0.872 -7.127 1.00 0.00 N ATOM 1635 CA GLU A 106 -20.099 0.039 -8.152 1.00 0.00 C ATOM 1636 C GLU A 106 -19.961 0.680 -9.530 1.00 0.00 C ATOM 1637 O GLU A 106 -20.118 1.892 -9.682 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.577 -0.191 -7.831 1.00 0.00 C ATOM 1639 CG GLU A 106 -21.806 -1.029 -6.584 1.00 0.00 C ATOM 1640 CD GLU A 106 -23.274 -1.307 -6.329 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -23.949 -0.437 -5.739 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -23.749 -2.394 -6.718 1.00 0.00 O ATOM 0 H GLU A 106 -20.141 1.304 -6.480 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.583 -0.921 -8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -22.067 0.774 -7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -22.053 -0.681 -8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -21.273 -1.975 -6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -21.383 -0.514 -5.722 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.666 -0.142 -10.531 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.506 0.343 -11.898 1.00 0.00 C ATOM 1651 C LEU A 107 -20.740 0.025 -12.737 1.00 0.00 C ATOM 1652 O LEU A 107 -21.272 0.893 -13.429 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.265 -0.280 -12.539 1.00 0.00 C ATOM 1654 CG LEU A 107 -18.045 0.033 -14.019 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -17.997 1.537 -14.245 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -16.767 -0.624 -14.519 1.00 0.00 C ATOM 0 H LEU A 107 -19.533 -1.147 -10.422 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.384 1.426 -11.861 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.388 0.053 -11.984 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.325 -1.362 -12.422 1.00 0.00 H new ATOM 0 HG LEU A 107 -18.884 -0.373 -14.585 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.840 1.741 -15.304 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.939 1.983 -13.925 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.178 1.966 -13.667 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.627 -0.390 -15.574 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.918 -0.249 -13.948 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -16.840 -1.704 -14.393 1.00 0.00 H new