USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 45 MET CE :methyl 165:sc= -0.498 (180deg=-1.46) USER MOD Set 1.2: A 50 GLN : amide:sc= -0.447 K(o=-0.94,f=-1.5) USER MOD Set 1.3: A 84 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 69 SER OG : rot -90:sc= 1.14 USER MOD Set 2.2: A 71 THR OG1 : rot -46:sc= 0.484 USER MOD Set 3.1: A 37 SER OG : rot 180:sc= 0.35 USER MOD Set 3.2: A 39 LYS NZ :NH3+ -120:sc= 0.79 (180deg=0) USER MOD Set 4.1: A 2 ASN : amide:sc= -0.114 K(o=-0.095,f=-0.87) USER MOD Set 4.2: A 6 LYS NZ :NH3+ 160:sc= 0.0195 (180deg=0) USER MOD Set 5.1: A 5 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc=-0.000196 X(o=-0.0002,f=-0.22) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.0695 F(o=-0.8,f=-0.07) USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= -0.0129 (180deg=-0.0148) USER MOD Single : A 18 ASN : amide:sc= 0.0685 X(o=0.069,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -122:sc= -0.491 USER MOD Single : A 38 THR OG1 : rot 160:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.264 X(o=-0.26,f=-0.36) USER MOD Single : A 53 THR OG1 : rot -150:sc= 0.102 USER MOD Single : A 58 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.25) USER MOD Single : A 60 MET CE :methyl -175:sc= -0.418 (180deg=-0.518) USER MOD Single : A 80 MET CE :methyl -169:sc= -0.221 (180deg=-0.369) USER MOD Single : A 81 MET CE :methyl 174:sc= -0.301 (180deg=-0.475) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.976 9.988 9.460 1.00 0.00 N ATOM 2 CA MET A 1 -3.101 10.534 8.642 1.00 0.00 C ATOM 3 C MET A 1 -2.836 10.261 7.161 1.00 0.00 C ATOM 4 O MET A 1 -1.790 10.633 6.623 1.00 0.00 O ATOM 5 CB MET A 1 -3.221 12.046 8.874 1.00 0.00 C ATOM 6 CG MET A 1 -4.147 12.310 10.063 1.00 0.00 C ATOM 7 SD MET A 1 -3.738 13.912 10.802 1.00 0.00 S ATOM 8 CE MET A 1 -4.016 13.446 12.529 1.00 0.00 C ATOM 0 H1 MET A 1 -2.157 10.174 10.467 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.900 8.962 9.305 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.087 10.447 9.177 1.00 0.00 H new ATOM 0 HA MET A 1 -4.031 10.050 8.938 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.237 12.474 9.064 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.613 12.532 7.980 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.187 12.303 9.736 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.040 11.518 10.804 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.818 14.302 13.173 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.050 13.127 12.658 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.348 12.628 12.797 1.00 0.00 H new ATOM 20 N ASN A 2 -3.802 9.606 6.513 1.00 0.00 N ATOM 21 CA ASN A 2 -3.680 9.280 5.088 1.00 0.00 C ATOM 22 C ASN A 2 -4.957 9.676 4.335 1.00 0.00 C ATOM 23 O ASN A 2 -5.406 8.974 3.424 1.00 0.00 O ATOM 24 CB ASN A 2 -3.410 7.777 4.900 1.00 0.00 C ATOM 25 CG ASN A 2 -4.537 6.954 5.526 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.420 6.464 4.824 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.558 6.768 6.820 1.00 0.00 N ATOM 0 H ASN A 2 -4.671 9.293 6.946 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.840 9.844 4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.328 7.545 3.838 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.458 7.511 5.359 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.305 6.218 7.244 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.827 7.173 7.405 1.00 0.00 H new ATOM 34 N ASP A 3 -5.533 10.816 4.728 1.00 0.00 N ATOM 35 CA ASP A 3 -6.758 11.314 4.094 1.00 0.00 C ATOM 36 C ASP A 3 -6.511 11.709 2.638 1.00 0.00 C ATOM 37 O ASP A 3 -7.406 11.603 1.799 1.00 0.00 O ATOM 38 CB ASP A 3 -7.299 12.529 4.855 1.00 0.00 C ATOM 39 CG ASP A 3 -8.029 12.063 6.113 1.00 0.00 C ATOM 40 OD1 ASP A 3 -7.364 11.832 7.110 1.00 0.00 O ATOM 41 OD2 ASP A 3 -9.242 11.943 6.059 1.00 0.00 O ATOM 0 H ASP A 3 -5.174 11.408 5.477 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.489 10.506 4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.480 13.196 5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.977 13.097 4.218 1.00 0.00 H new ATOM 46 N ILE A 4 -5.288 12.164 2.346 1.00 0.00 N ATOM 47 CA ILE A 4 -4.932 12.573 0.982 1.00 0.00 C ATOM 48 C ILE A 4 -4.980 11.384 0.015 1.00 0.00 C ATOM 49 O ILE A 4 -5.332 11.540 -1.155 1.00 0.00 O ATOM 50 CB ILE A 4 -3.532 13.209 0.941 1.00 0.00 C ATOM 51 CG1 ILE A 4 -2.484 12.215 1.461 1.00 0.00 C ATOM 52 CG2 ILE A 4 -3.515 14.467 1.813 1.00 0.00 C ATOM 53 CD1 ILE A 4 -1.791 11.536 0.277 1.00 0.00 C ATOM 0 H ILE A 4 -4.535 12.258 3.027 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.667 13.313 0.668 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.294 13.473 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.749 12.734 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.960 11.467 2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.523 14.917 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.248 15.180 1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.762 14.201 2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.047 10.830 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.531 11.003 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.301 12.290 -0.339 1.00 0.00 H new ATOM 65 N TYR A 5 -4.630 10.195 0.520 1.00 0.00 N ATOM 66 CA TYR A 5 -4.646 8.982 -0.306 1.00 0.00 C ATOM 67 C TYR A 5 -6.070 8.670 -0.766 1.00 0.00 C ATOM 68 O TYR A 5 -6.288 8.225 -1.895 1.00 0.00 O ATOM 69 CB TYR A 5 -4.109 7.780 0.483 1.00 0.00 C ATOM 70 CG TYR A 5 -2.606 7.879 0.609 1.00 0.00 C ATOM 71 CD1 TYR A 5 -2.038 8.654 1.628 1.00 0.00 C ATOM 72 CD2 TYR A 5 -1.781 7.200 -0.297 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.647 8.749 1.742 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.389 7.295 -0.182 1.00 0.00 C ATOM 75 CZ TYR A 5 0.179 8.070 0.837 1.00 0.00 C ATOM 76 OH TYR A 5 1.552 8.165 0.949 1.00 0.00 O ATOM 0 H TYR A 5 -4.335 10.047 1.485 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.009 9.161 -1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.565 7.750 1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.380 6.852 -0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.674 9.178 2.326 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.219 6.604 -1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.210 9.346 2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.247 6.770 -0.879 1.00 0.00 H new ATOM 0 HH TYR A 5 1.975 7.633 0.243 1.00 0.00 H new ATOM 86 N LYS A 6 -7.034 8.915 0.124 1.00 0.00 N ATOM 87 CA LYS A 6 -8.445 8.663 -0.184 1.00 0.00 C ATOM 88 C LYS A 6 -9.070 9.851 -0.926 1.00 0.00 C ATOM 89 O LYS A 6 -10.037 9.687 -1.671 1.00 0.00 O ATOM 90 CB LYS A 6 -9.238 8.407 1.102 1.00 0.00 C ATOM 91 CG LYS A 6 -9.043 6.954 1.547 1.00 0.00 C ATOM 92 CD LYS A 6 -7.826 6.858 2.473 1.00 0.00 C ATOM 93 CE LYS A 6 -7.540 5.389 2.795 1.00 0.00 C ATOM 94 NZ LYS A 6 -8.113 5.047 4.129 1.00 0.00 N ATOM 0 H LYS A 6 -6.866 9.286 1.059 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.487 7.781 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.905 9.086 1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.296 8.607 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.935 6.599 2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.902 6.313 0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.957 7.312 1.996 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.012 7.413 3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.972 4.747 2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.465 5.209 2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.226 4.016 4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.473 5.381 4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.040 5.505 4.236 1.00 0.00 H new ATOM 108 N ALA A 7 -8.515 11.048 -0.712 1.00 0.00 N ATOM 109 CA ALA A 7 -9.030 12.253 -1.364 1.00 0.00 C ATOM 110 C ALA A 7 -8.685 12.265 -2.856 1.00 0.00 C ATOM 111 O ALA A 7 -9.493 12.691 -3.683 1.00 0.00 O ATOM 112 CB ALA A 7 -8.443 13.506 -0.710 1.00 0.00 C ATOM 0 H ALA A 7 -7.716 11.207 -0.098 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.114 12.249 -1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.836 14.393 -1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.717 13.529 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.357 13.490 -0.802 1.00 0.00 H new ATOM 118 N ALA A 8 -7.477 11.791 -3.191 1.00 0.00 N ATOM 119 CA ALA A 8 -7.033 11.754 -4.588 1.00 0.00 C ATOM 120 C ALA A 8 -7.800 10.695 -5.372 1.00 0.00 C ATOM 121 O ALA A 8 -8.243 10.941 -6.495 1.00 0.00 O ATOM 122 CB ALA A 8 -5.535 11.450 -4.670 1.00 0.00 C ATOM 0 H ALA A 8 -6.797 11.432 -2.521 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.228 12.734 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.225 11.427 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.977 12.224 -4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.334 10.482 -4.211 1.00 0.00 H new ATOM 128 N VAL A 9 -7.959 9.516 -4.765 1.00 0.00 N ATOM 129 CA VAL A 9 -8.686 8.423 -5.414 1.00 0.00 C ATOM 130 C VAL A 9 -10.178 8.767 -5.556 1.00 0.00 C ATOM 131 O VAL A 9 -10.871 8.222 -6.416 1.00 0.00 O ATOM 132 CB VAL A 9 -8.518 7.122 -4.613 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.328 7.185 -3.316 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.992 5.934 -5.457 1.00 0.00 C ATOM 0 H VAL A 9 -7.599 9.296 -3.836 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.269 8.282 -6.411 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.464 6.997 -4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.198 6.256 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.980 8.022 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.383 7.322 -3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.872 5.012 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.043 6.067 -5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.399 5.876 -6.370 1.00 0.00 H new ATOM 144 N GLU A 10 -10.660 9.685 -4.709 1.00 0.00 N ATOM 145 CA GLU A 10 -12.063 10.102 -4.756 1.00 0.00 C ATOM 146 C GLU A 10 -12.293 11.158 -5.847 1.00 0.00 C ATOM 147 O GLU A 10 -13.429 11.380 -6.269 1.00 0.00 O ATOM 148 CB GLU A 10 -12.495 10.682 -3.406 1.00 0.00 C ATOM 149 CG GLU A 10 -12.993 9.555 -2.497 1.00 0.00 C ATOM 150 CD GLU A 10 -14.484 9.330 -2.729 1.00 0.00 C ATOM 151 OE1 GLU A 10 -15.272 9.994 -2.074 1.00 0.00 O ATOM 152 OE2 GLU A 10 -14.818 8.500 -3.560 1.00 0.00 O ATOM 0 H GLU A 10 -10.104 10.148 -3.990 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.658 9.218 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.658 11.198 -2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.284 11.420 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.441 8.638 -2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.812 9.810 -1.453 1.00 0.00 H new ATOM 159 N GLN A 11 -11.210 11.810 -6.298 1.00 0.00 N ATOM 160 CA GLN A 11 -11.325 12.840 -7.335 1.00 0.00 C ATOM 161 C GLN A 11 -10.315 12.602 -8.467 1.00 0.00 C ATOM 162 O GLN A 11 -9.852 13.547 -9.112 1.00 0.00 O ATOM 163 CB GLN A 11 -11.100 14.235 -6.728 1.00 0.00 C ATOM 164 CG GLN A 11 -9.632 14.399 -6.303 1.00 0.00 C ATOM 165 CD GLN A 11 -9.509 15.537 -5.290 1.00 0.00 C ATOM 166 OE1 GLN A 11 -10.213 16.543 -5.382 1.00 0.00 O ATOM 167 NE2 GLN A 11 -8.640 15.439 -4.319 1.00 0.00 N ATOM 0 H GLN A 11 -10.260 11.644 -5.965 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.331 12.783 -7.751 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.363 15.003 -7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.753 14.374 -5.867 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.265 13.470 -5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.013 14.608 -7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.055 14.607 -4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.546 16.195 -3.640 1.00 0.00 H new ATOM 176 N LEU A 12 -9.982 11.328 -8.707 1.00 0.00 N ATOM 177 CA LEU A 12 -9.025 10.979 -9.766 1.00 0.00 C ATOM 178 C LEU A 12 -9.545 11.406 -11.143 1.00 0.00 C ATOM 179 O LEU A 12 -10.724 11.730 -11.309 1.00 0.00 O ATOM 180 CB LEU A 12 -8.738 9.467 -9.791 1.00 0.00 C ATOM 181 CG LEU A 12 -9.906 8.535 -9.431 1.00 0.00 C ATOM 182 CD1 LEU A 12 -11.197 9.006 -10.106 1.00 0.00 C ATOM 183 CD2 LEU A 12 -9.579 7.116 -9.899 1.00 0.00 C ATOM 0 H LEU A 12 -10.354 10.531 -8.191 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.102 11.514 -9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.388 9.204 -10.789 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.917 9.265 -9.102 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.050 8.550 -8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.013 8.334 -9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.435 10.016 -9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.064 9.004 -11.188 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.404 6.450 -9.646 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.429 7.114 -10.979 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.670 6.771 -9.406 1.00 0.00 H new ATOM 195 N THR A 13 -8.644 11.399 -12.128 1.00 0.00 N ATOM 196 CA THR A 13 -9.005 11.783 -13.495 1.00 0.00 C ATOM 197 C THR A 13 -9.234 10.547 -14.360 1.00 0.00 C ATOM 198 O THR A 13 -8.866 9.429 -13.989 1.00 0.00 O ATOM 199 CB THR A 13 -7.891 12.624 -14.145 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.656 12.393 -13.479 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.247 14.109 -14.066 1.00 0.00 C ATOM 0 H THR A 13 -7.667 11.134 -12.007 1.00 0.00 H new ATOM 0 HA THR A 13 -9.921 12.371 -13.432 1.00 0.00 H new ATOM 0 HB THR A 13 -7.794 12.333 -15.191 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.952 12.930 -13.899 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.455 14.698 -14.528 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.185 14.287 -14.592 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.356 14.402 -13.022 1.00 0.00 H new ATOM 209 N ASP A 14 -9.826 10.771 -15.534 1.00 0.00 N ATOM 210 CA ASP A 14 -10.080 9.682 -16.478 1.00 0.00 C ATOM 211 C ASP A 14 -8.757 9.187 -17.064 1.00 0.00 C ATOM 212 O ASP A 14 -8.600 8.000 -17.362 1.00 0.00 O ATOM 213 CB ASP A 14 -10.987 10.155 -17.618 1.00 0.00 C ATOM 214 CG ASP A 14 -12.433 10.214 -17.131 1.00 0.00 C ATOM 215 OD1 ASP A 14 -13.096 9.191 -17.177 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.856 11.283 -16.719 1.00 0.00 O ATOM 0 H ASP A 14 -10.136 11.689 -15.852 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.576 8.872 -15.942 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.669 11.138 -17.965 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.906 9.476 -18.467 1.00 0.00 H new ATOM 221 N GLU A 15 -7.801 10.116 -17.210 1.00 0.00 N ATOM 222 CA GLU A 15 -6.481 9.778 -17.746 1.00 0.00 C ATOM 223 C GLU A 15 -5.685 8.936 -16.742 1.00 0.00 C ATOM 224 O GLU A 15 -4.796 8.178 -17.130 1.00 0.00 O ATOM 225 CB GLU A 15 -5.689 11.047 -18.069 1.00 0.00 C ATOM 226 CG GLU A 15 -6.197 11.647 -19.384 1.00 0.00 C ATOM 227 CD GLU A 15 -6.014 13.161 -19.361 1.00 0.00 C ATOM 228 OE1 GLU A 15 -6.851 13.831 -18.776 1.00 0.00 O ATOM 229 OE2 GLU A 15 -5.040 13.631 -19.928 1.00 0.00 O ATOM 0 H GLU A 15 -7.919 11.099 -16.966 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.633 9.202 -18.659 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.797 11.771 -17.261 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.627 10.815 -18.149 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.653 11.218 -20.225 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.249 11.400 -19.525 1.00 0.00 H new ATOM 236 N GLN A 16 -6.022 9.068 -15.450 1.00 0.00 N ATOM 237 CA GLN A 16 -5.340 8.303 -14.407 1.00 0.00 C ATOM 238 C GLN A 16 -5.739 6.834 -14.506 1.00 0.00 C ATOM 239 O GLN A 16 -4.883 5.947 -14.495 1.00 0.00 O ATOM 240 CB GLN A 16 -5.700 8.836 -13.018 1.00 0.00 C ATOM 241 CG GLN A 16 -4.419 9.207 -12.264 1.00 0.00 C ATOM 242 CD GLN A 16 -4.773 9.981 -10.998 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.699 9.520 -10.203 1.00 0.00 O flip ATOM 244 NE2 GLN A 16 -4.195 11.033 -10.724 1.00 0.00 N flip ATOM 0 H GLN A 16 -6.755 9.691 -15.110 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.264 8.405 -14.551 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.347 9.709 -13.108 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.257 8.083 -12.461 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.863 8.305 -12.007 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.772 9.810 -12.901 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.471 11.394 -11.345 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.440 11.544 -9.876 1.00 0.00 H new ATOM 253 N LYS A 17 -7.051 6.591 -14.621 1.00 0.00 N ATOM 254 CA LYS A 17 -7.560 5.226 -14.749 1.00 0.00 C ATOM 255 C LYS A 17 -6.902 4.538 -15.943 1.00 0.00 C ATOM 256 O LYS A 17 -6.434 3.408 -15.840 1.00 0.00 O ATOM 257 CB LYS A 17 -9.081 5.223 -14.966 1.00 0.00 C ATOM 258 CG LYS A 17 -9.795 5.783 -13.732 1.00 0.00 C ATOM 259 CD LYS A 17 -9.506 4.898 -12.521 1.00 0.00 C ATOM 260 CE LYS A 17 -10.818 4.564 -11.805 1.00 0.00 C ATOM 261 NZ LYS A 17 -10.544 3.660 -10.650 1.00 0.00 N ATOM 0 H LYS A 17 -7.769 7.315 -14.628 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.327 4.695 -13.826 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.331 5.821 -15.842 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.425 4.208 -15.164 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.460 6.802 -13.538 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.869 5.830 -13.912 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.009 3.981 -12.838 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.827 5.409 -11.838 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.297 5.479 -11.457 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.510 4.085 -12.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.438 3.421 -10.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.090 2.789 -10.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.913 4.139 -9.977 1.00 0.00 H new ATOM 275 N ASN A 18 -6.869 5.247 -17.075 1.00 0.00 N ATOM 276 CA ASN A 18 -6.264 4.703 -18.295 1.00 0.00 C ATOM 277 C ASN A 18 -4.744 4.583 -18.158 1.00 0.00 C ATOM 278 O ASN A 18 -4.132 3.695 -18.752 1.00 0.00 O ATOM 279 CB ASN A 18 -6.587 5.595 -19.498 1.00 0.00 C ATOM 280 CG ASN A 18 -7.938 5.192 -20.082 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.999 4.466 -21.074 1.00 0.00 O ATOM 282 ND2 ASN A 18 -9.036 5.623 -19.520 1.00 0.00 N ATOM 0 H ASN A 18 -7.249 6.188 -17.173 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.684 3.709 -18.450 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.608 6.641 -19.193 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.808 5.499 -20.255 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.943 5.358 -19.903 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.986 6.225 -18.698 1.00 0.00 H new ATOM 289 N GLU A 19 -4.144 5.483 -17.368 1.00 0.00 N ATOM 290 CA GLU A 19 -2.693 5.465 -17.157 1.00 0.00 C ATOM 291 C GLU A 19 -2.232 4.080 -16.703 1.00 0.00 C ATOM 292 O GLU A 19 -1.296 3.508 -17.267 1.00 0.00 O ATOM 293 CB GLU A 19 -2.294 6.497 -16.094 1.00 0.00 C ATOM 294 CG GLU A 19 -0.775 6.681 -16.102 1.00 0.00 C ATOM 295 CD GLU A 19 -0.396 7.776 -17.097 1.00 0.00 C ATOM 296 OE1 GLU A 19 -0.225 7.457 -18.263 1.00 0.00 O ATOM 297 OE2 GLU A 19 -0.283 8.916 -16.678 1.00 0.00 O ATOM 0 H GLU A 19 -4.636 6.225 -16.870 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.214 5.713 -18.104 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.787 7.449 -16.293 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.625 6.167 -15.110 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.426 6.946 -15.104 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.287 5.745 -16.373 1.00 0.00 H new ATOM 304 N PHE A 20 -2.899 3.554 -15.675 1.00 0.00 N ATOM 305 CA PHE A 20 -2.554 2.238 -15.140 1.00 0.00 C ATOM 306 C PHE A 20 -3.318 1.122 -15.855 1.00 0.00 C ATOM 307 O PHE A 20 -2.747 0.081 -16.164 1.00 0.00 O ATOM 308 CB PHE A 20 -2.880 2.164 -13.648 1.00 0.00 C ATOM 309 CG PHE A 20 -1.749 2.759 -12.840 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.678 1.954 -12.436 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.779 4.112 -12.487 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.363 2.499 -11.681 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.738 4.658 -11.729 1.00 0.00 C ATOM 314 CZ PHE A 20 0.334 3.853 -11.325 1.00 0.00 C ATOM 0 H PHE A 20 -3.675 4.015 -15.200 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.485 2.100 -15.301 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.806 2.701 -13.443 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.041 1.127 -13.354 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.656 0.909 -12.709 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.605 4.734 -12.799 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.190 1.877 -11.372 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.761 5.702 -11.455 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.137 4.276 -10.740 1.00 0.00 H new ATOM 324 N LYS A 21 -4.617 1.338 -16.096 1.00 0.00 N ATOM 325 CA LYS A 21 -5.453 0.321 -16.752 1.00 0.00 C ATOM 326 C LYS A 21 -4.834 -0.161 -18.069 1.00 0.00 C ATOM 327 O LYS A 21 -4.948 -1.337 -18.414 1.00 0.00 O ATOM 328 CB LYS A 21 -6.860 0.863 -17.019 1.00 0.00 C ATOM 329 CG LYS A 21 -7.803 -0.294 -17.363 1.00 0.00 C ATOM 330 CD LYS A 21 -8.317 -0.943 -16.075 1.00 0.00 C ATOM 331 CE LYS A 21 -9.678 -1.590 -16.339 1.00 0.00 C ATOM 332 NZ LYS A 21 -10.060 -2.443 -15.176 1.00 0.00 N ATOM 0 H LYS A 21 -5.109 2.197 -15.850 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.515 -0.527 -16.070 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.227 1.396 -16.142 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.834 1.580 -17.840 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.641 0.072 -17.957 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.281 -1.033 -17.970 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.608 -1.693 -15.725 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.405 -0.194 -15.288 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.432 -0.820 -16.502 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.636 -2.192 -17.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.985 -2.882 -15.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.345 -3.186 -15.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.117 -1.856 -14.319 1.00 0.00 H new ATOM 346 N ALA A 22 -4.170 0.747 -18.792 1.00 0.00 N ATOM 347 CA ALA A 22 -3.529 0.379 -20.060 1.00 0.00 C ATOM 348 C ALA A 22 -2.492 -0.718 -19.822 1.00 0.00 C ATOM 349 O ALA A 22 -2.532 -1.777 -20.452 1.00 0.00 O ATOM 350 CB ALA A 22 -2.839 1.591 -20.689 1.00 0.00 C ATOM 0 H ALA A 22 -4.063 1.726 -18.527 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.301 0.017 -20.738 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.370 1.296 -21.628 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.576 2.371 -20.881 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.078 1.971 -20.007 1.00 0.00 H new ATOM 356 N ALA A 23 -1.579 -0.456 -18.881 1.00 0.00 N ATOM 357 CA ALA A 23 -0.543 -1.425 -18.528 1.00 0.00 C ATOM 358 C ALA A 23 -1.175 -2.631 -17.834 1.00 0.00 C ATOM 359 O ALA A 23 -0.735 -3.766 -18.005 1.00 0.00 O ATOM 360 CB ALA A 23 0.486 -0.793 -17.588 1.00 0.00 C ATOM 0 H ALA A 23 -1.538 0.416 -18.353 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.045 -1.743 -19.444 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.249 -1.529 -17.336 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.953 0.060 -18.080 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.010 -0.459 -16.677 1.00 0.00 H new ATOM 366 N PHE A 24 -2.224 -2.364 -17.055 1.00 0.00 N ATOM 367 CA PHE A 24 -2.932 -3.422 -16.338 1.00 0.00 C ATOM 368 C PHE A 24 -3.488 -4.454 -17.320 1.00 0.00 C ATOM 369 O PHE A 24 -3.365 -5.657 -17.104 1.00 0.00 O ATOM 370 CB PHE A 24 -4.093 -2.826 -15.530 1.00 0.00 C ATOM 371 CG PHE A 24 -4.576 -3.822 -14.500 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.415 -4.875 -14.882 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.186 -3.690 -13.163 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.864 -5.792 -13.928 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.635 -4.607 -12.210 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.474 -5.657 -12.591 1.00 0.00 C ATOM 0 H PHE A 24 -2.600 -1.428 -16.906 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.226 -3.908 -15.664 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.770 -1.909 -15.037 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.911 -2.557 -16.198 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.715 -4.979 -15.914 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.537 -2.879 -12.868 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.512 -6.605 -14.222 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.333 -4.504 -11.178 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.822 -6.365 -11.853 1.00 0.00 H new ATOM 386 N ASP A 25 -4.108 -3.964 -18.398 1.00 0.00 N ATOM 387 CA ASP A 25 -4.701 -4.846 -19.409 1.00 0.00 C ATOM 388 C ASP A 25 -3.651 -5.735 -20.085 1.00 0.00 C ATOM 389 O ASP A 25 -3.911 -6.910 -20.353 1.00 0.00 O ATOM 390 CB ASP A 25 -5.418 -4.019 -20.482 1.00 0.00 C ATOM 391 CG ASP A 25 -6.894 -3.888 -20.119 1.00 0.00 C ATOM 392 OD1 ASP A 25 -7.205 -3.072 -19.265 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.693 -4.607 -20.698 1.00 0.00 O ATOM 0 H ASP A 25 -4.212 -2.968 -18.593 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.413 -5.489 -18.891 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.963 -3.032 -20.561 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.313 -4.497 -21.456 1.00 0.00 H new ATOM 398 N ILE A 26 -2.475 -5.168 -20.369 1.00 0.00 N ATOM 399 CA ILE A 26 -1.411 -5.936 -21.031 1.00 0.00 C ATOM 400 C ILE A 26 -0.726 -6.902 -20.057 1.00 0.00 C ATOM 401 O ILE A 26 -0.401 -8.031 -20.428 1.00 0.00 O ATOM 402 CB ILE A 26 -0.361 -5.008 -21.668 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.193 -4.030 -20.623 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.012 -4.221 -22.807 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.333 -3.206 -21.227 1.00 0.00 C ATOM 0 H ILE A 26 -2.236 -4.199 -20.157 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.887 -6.518 -21.820 1.00 0.00 H new ATOM 0 HB ILE A 26 0.461 -5.612 -22.053 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.601 -3.368 -20.276 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.552 -4.580 -19.753 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.273 -3.562 -23.262 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.391 -4.914 -23.558 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.836 -3.626 -22.413 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.719 -2.515 -20.478 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.132 -3.873 -21.552 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.961 -2.642 -22.083 1.00 0.00 H new ATOM 417 N PHE A 27 -0.506 -6.457 -18.813 1.00 0.00 N ATOM 418 CA PHE A 27 0.142 -7.313 -17.812 1.00 0.00 C ATOM 419 C PHE A 27 -0.768 -8.478 -17.403 1.00 0.00 C ATOM 420 O PHE A 27 -0.286 -9.586 -17.158 1.00 0.00 O ATOM 421 CB PHE A 27 0.534 -6.507 -16.565 1.00 0.00 C ATOM 422 CG PHE A 27 1.740 -5.645 -16.881 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.905 -6.227 -17.399 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.686 -4.263 -16.670 1.00 0.00 C ATOM 425 CE1 PHE A 27 4.010 -5.425 -17.706 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.792 -3.464 -16.976 1.00 0.00 C ATOM 427 CZ PHE A 27 3.954 -4.044 -17.496 1.00 0.00 C ATOM 0 H PHE A 27 -0.762 -5.527 -18.480 1.00 0.00 H new ATOM 0 HA PHE A 27 1.044 -7.716 -18.271 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.300 -5.882 -16.246 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.761 -7.181 -15.739 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.950 -7.294 -17.561 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.789 -3.813 -16.270 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.907 -5.874 -18.106 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.749 -2.398 -16.811 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.807 -3.426 -17.735 1.00 0.00 H new ATOM 437 N ILE A 28 -2.084 -8.229 -17.343 1.00 0.00 N ATOM 438 CA ILE A 28 -3.035 -9.291 -16.974 1.00 0.00 C ATOM 439 C ILE A 28 -3.576 -10.018 -18.217 1.00 0.00 C ATOM 440 O ILE A 28 -4.423 -10.908 -18.099 1.00 0.00 O ATOM 441 CB ILE A 28 -4.222 -8.733 -16.165 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.122 -7.867 -17.061 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.706 -7.888 -14.999 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.269 -8.719 -17.613 1.00 0.00 C ATOM 0 H ILE A 28 -2.509 -7.323 -17.540 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.483 -9.999 -16.355 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.803 -9.571 -15.781 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.521 -7.028 -16.491 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.540 -7.447 -17.881 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.550 -7.497 -14.432 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.086 -8.505 -14.349 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.113 -7.059 -15.385 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.906 -8.104 -18.248 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.861 -9.543 -18.198 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.857 -9.117 -16.786 1.00 0.00 H new ATOM 456 N GLN A 29 -3.085 -9.634 -19.407 1.00 0.00 N ATOM 457 CA GLN A 29 -3.527 -10.255 -20.661 1.00 0.00 C ATOM 458 C GLN A 29 -3.432 -11.784 -20.585 1.00 0.00 C ATOM 459 O GLN A 29 -4.321 -12.494 -21.061 1.00 0.00 O ATOM 460 CB GLN A 29 -2.666 -9.754 -21.828 1.00 0.00 C ATOM 461 CG GLN A 29 -3.076 -10.466 -23.120 1.00 0.00 C ATOM 462 CD GLN A 29 -2.638 -9.636 -24.323 1.00 0.00 C ATOM 463 OE1 GLN A 29 -1.652 -9.963 -24.985 1.00 0.00 O ATOM 464 NE2 GLN A 29 -3.318 -8.570 -24.651 1.00 0.00 N ATOM 0 H GLN A 29 -2.386 -8.901 -19.524 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.568 -9.977 -20.823 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.785 -8.677 -21.943 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.612 -9.938 -21.619 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.620 -11.455 -23.162 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.156 -10.612 -23.140 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.135 -8.298 -24.104 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.032 -8.010 -25.454 1.00 0.00 H new ATOM 473 N ASP A 30 -2.347 -12.277 -19.985 1.00 0.00 N ATOM 474 CA ASP A 30 -2.140 -13.723 -19.851 1.00 0.00 C ATOM 475 C ASP A 30 -2.461 -14.206 -18.429 1.00 0.00 C ATOM 476 O ASP A 30 -1.922 -15.216 -17.967 1.00 0.00 O ATOM 477 CB ASP A 30 -0.689 -14.081 -20.195 1.00 0.00 C ATOM 478 CG ASP A 30 -0.503 -14.057 -21.709 1.00 0.00 C ATOM 479 OD1 ASP A 30 -0.238 -12.988 -22.238 1.00 0.00 O ATOM 480 OD2 ASP A 30 -0.630 -15.106 -22.319 1.00 0.00 O ATOM 0 H ASP A 30 -1.603 -11.704 -19.587 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.818 -14.221 -20.545 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.007 -13.373 -19.723 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.445 -15.069 -19.804 1.00 0.00 H new ATOM 485 N ALA A 31 -3.353 -13.482 -17.744 1.00 0.00 N ATOM 486 CA ALA A 31 -3.748 -13.847 -16.384 1.00 0.00 C ATOM 487 C ALA A 31 -5.085 -14.587 -16.397 1.00 0.00 C ATOM 488 O ALA A 31 -5.866 -14.475 -17.346 1.00 0.00 O ATOM 489 CB ALA A 31 -3.876 -12.599 -15.506 1.00 0.00 C ATOM 0 H ALA A 31 -3.811 -12.646 -18.108 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.976 -14.498 -15.974 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.171 -12.892 -14.498 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.918 -12.081 -15.468 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.631 -11.934 -15.926 1.00 0.00 H new ATOM 495 N GLU A 32 -5.339 -15.339 -15.326 1.00 0.00 N ATOM 496 CA GLU A 32 -6.589 -16.100 -15.204 1.00 0.00 C ATOM 497 C GLU A 32 -7.359 -15.681 -13.945 1.00 0.00 C ATOM 498 O GLU A 32 -8.035 -16.498 -13.314 1.00 0.00 O ATOM 499 CB GLU A 32 -6.300 -17.609 -15.155 1.00 0.00 C ATOM 500 CG GLU A 32 -5.275 -17.919 -14.052 1.00 0.00 C ATOM 501 CD GLU A 32 -5.815 -19.021 -13.142 1.00 0.00 C ATOM 502 OE1 GLU A 32 -5.581 -20.180 -13.445 1.00 0.00 O ATOM 503 OE2 GLU A 32 -6.454 -18.690 -12.156 1.00 0.00 O ATOM 0 H GLU A 32 -4.703 -15.439 -14.535 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.201 -15.883 -16.080 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.223 -18.157 -14.968 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.920 -17.945 -16.120 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.331 -18.232 -14.497 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.070 -17.021 -13.469 1.00 0.00 H new ATOM 510 N ASP A 33 -7.251 -14.396 -13.588 1.00 0.00 N ATOM 511 CA ASP A 33 -7.937 -13.874 -12.401 1.00 0.00 C ATOM 512 C ASP A 33 -8.363 -12.419 -12.609 1.00 0.00 C ATOM 513 O ASP A 33 -9.503 -12.048 -12.323 1.00 0.00 O ATOM 514 CB ASP A 33 -7.021 -13.952 -11.173 1.00 0.00 C ATOM 515 CG ASP A 33 -6.790 -15.413 -10.792 1.00 0.00 C ATOM 516 OD1 ASP A 33 -7.669 -15.994 -10.178 1.00 0.00 O ATOM 517 OD2 ASP A 33 -5.736 -15.931 -11.122 1.00 0.00 O ATOM 0 H ASP A 33 -6.701 -13.705 -14.098 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.823 -14.487 -12.238 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.068 -13.467 -11.387 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.471 -13.415 -10.338 1.00 0.00 H new ATOM 522 N GLY A 34 -7.430 -11.600 -13.105 1.00 0.00 N ATOM 523 CA GLY A 34 -7.702 -10.181 -13.347 1.00 0.00 C ATOM 524 C GLY A 34 -6.780 -9.298 -12.504 1.00 0.00 C ATOM 525 O GLY A 34 -7.201 -8.267 -11.977 1.00 0.00 O ATOM 0 H GLY A 34 -6.484 -11.895 -13.346 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.562 -9.955 -14.404 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.742 -9.960 -13.108 1.00 0.00 H new ATOM 529 N CYS A 35 -5.515 -9.719 -12.388 1.00 0.00 N ATOM 530 CA CYS A 35 -4.520 -8.975 -11.613 1.00 0.00 C ATOM 531 C CYS A 35 -3.143 -9.138 -12.256 1.00 0.00 C ATOM 532 O CYS A 35 -2.850 -10.175 -12.858 1.00 0.00 O ATOM 533 CB CYS A 35 -4.455 -9.492 -10.169 1.00 0.00 C ATOM 534 SG CYS A 35 -6.128 -9.676 -9.500 1.00 0.00 S ATOM 0 H CYS A 35 -5.158 -10.571 -12.821 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.811 -7.925 -11.603 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.936 -10.450 -10.140 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.882 -8.800 -9.552 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.248 -8.953 -8.426 1.00 0.00 H new ATOM 540 N ILE A 36 -2.299 -8.111 -12.124 1.00 0.00 N ATOM 541 CA ILE A 36 -0.954 -8.174 -12.707 1.00 0.00 C ATOM 542 C ILE A 36 -0.011 -8.937 -11.776 1.00 0.00 C ATOM 543 O ILE A 36 -0.335 -9.187 -10.613 1.00 0.00 O ATOM 544 CB ILE A 36 -0.380 -6.769 -12.992 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.181 -6.145 -11.707 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.470 -5.856 -13.566 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.711 -6.214 -11.731 1.00 0.00 C ATOM 0 H ILE A 36 -2.515 -7.245 -11.631 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.037 -8.699 -13.658 1.00 0.00 H new ATOM 0 HB ILE A 36 0.425 -6.873 -13.719 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.146 -5.109 -11.621 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.204 -6.674 -10.835 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.052 -4.869 -13.762 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.848 -6.281 -14.496 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.286 -5.768 -12.849 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.110 -5.771 -10.818 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.027 -7.255 -11.797 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.086 -5.665 -12.595 1.00 0.00 H new ATOM 559 N SER A 37 1.156 -9.307 -12.301 1.00 0.00 N ATOM 560 CA SER A 37 2.136 -10.047 -11.510 1.00 0.00 C ATOM 561 C SER A 37 3.049 -9.090 -10.744 1.00 0.00 C ATOM 562 O SER A 37 3.870 -8.386 -11.338 1.00 0.00 O ATOM 563 CB SER A 37 2.991 -10.942 -12.412 1.00 0.00 C ATOM 564 OG SER A 37 3.785 -11.803 -11.605 1.00 0.00 O ATOM 0 H SER A 37 1.443 -9.109 -13.259 1.00 0.00 H new ATOM 0 HA SER A 37 1.589 -10.666 -10.799 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.352 -11.530 -13.071 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.630 -10.331 -13.049 1.00 0.00 H new ATOM 0 HG SER A 37 4.332 -12.378 -12.180 1.00 0.00 H new ATOM 570 N THR A 38 2.901 -9.085 -9.414 1.00 0.00 N ATOM 571 CA THR A 38 3.727 -8.230 -8.550 1.00 0.00 C ATOM 572 C THR A 38 5.211 -8.494 -8.807 1.00 0.00 C ATOM 573 O THR A 38 6.035 -7.582 -8.762 1.00 0.00 O ATOM 574 CB THR A 38 3.432 -8.499 -7.068 1.00 0.00 C ATOM 575 OG1 THR A 38 3.679 -9.867 -6.773 1.00 0.00 O ATOM 576 CG2 THR A 38 1.973 -8.166 -6.764 1.00 0.00 C ATOM 0 H THR A 38 2.222 -9.659 -8.914 1.00 0.00 H new ATOM 0 HA THR A 38 3.486 -7.193 -8.784 1.00 0.00 H new ATOM 0 HB THR A 38 4.080 -7.873 -6.454 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.806 -9.976 -5.807 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.768 -8.358 -5.711 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.786 -7.115 -6.984 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.322 -8.787 -7.380 1.00 0.00 H new ATOM 584 N LYS A 39 5.536 -9.756 -9.094 1.00 0.00 N ATOM 585 CA LYS A 39 6.920 -10.143 -9.382 1.00 0.00 C ATOM 586 C LYS A 39 7.423 -9.404 -10.624 1.00 0.00 C ATOM 587 O LYS A 39 8.604 -9.068 -10.728 1.00 0.00 O ATOM 588 CB LYS A 39 7.026 -11.652 -9.631 1.00 0.00 C ATOM 589 CG LYS A 39 6.403 -12.418 -8.461 1.00 0.00 C ATOM 590 CD LYS A 39 5.781 -13.722 -8.970 1.00 0.00 C ATOM 591 CE LYS A 39 4.455 -13.977 -8.248 1.00 0.00 C ATOM 592 NZ LYS A 39 3.353 -13.263 -8.955 1.00 0.00 N ATOM 0 H LYS A 39 4.865 -10.524 -9.133 1.00 0.00 H new ATOM 0 HA LYS A 39 7.528 -9.879 -8.517 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.518 -11.913 -10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.071 -11.937 -9.749 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.163 -12.635 -7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.642 -11.806 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.615 -13.661 -10.046 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.465 -14.553 -8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.247 -15.046 -8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.520 -13.634 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.908 -12.583 -8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.739 -12.756 -9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.643 -13.952 -9.276 1.00 0.00 H new ATOM 606 N GLU A 40 6.503 -9.159 -11.564 1.00 0.00 N ATOM 607 CA GLU A 40 6.843 -8.460 -12.806 1.00 0.00 C ATOM 608 C GLU A 40 6.559 -6.951 -12.713 1.00 0.00 C ATOM 609 O GLU A 40 6.471 -6.270 -13.738 1.00 0.00 O ATOM 610 CB GLU A 40 6.043 -9.044 -13.976 1.00 0.00 C ATOM 611 CG GLU A 40 6.571 -10.441 -14.313 1.00 0.00 C ATOM 612 CD GLU A 40 5.627 -11.122 -15.301 1.00 0.00 C ATOM 613 OE1 GLU A 40 5.771 -10.883 -16.489 1.00 0.00 O ATOM 614 OE2 GLU A 40 4.775 -11.874 -14.855 1.00 0.00 O ATOM 0 H GLU A 40 5.523 -9.433 -11.488 1.00 0.00 H new ATOM 0 HA GLU A 40 7.911 -8.600 -12.971 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.986 -9.097 -13.716 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.125 -8.393 -14.847 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.571 -10.369 -14.741 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.655 -11.038 -13.405 1.00 0.00 H new ATOM 621 N LEU A 41 6.430 -6.425 -11.481 1.00 0.00 N ATOM 622 CA LEU A 41 6.175 -4.989 -11.289 1.00 0.00 C ATOM 623 C LEU A 41 7.290 -4.149 -11.920 1.00 0.00 C ATOM 624 O LEU A 41 7.064 -3.004 -12.302 1.00 0.00 O ATOM 625 CB LEU A 41 6.078 -4.634 -9.798 1.00 0.00 C ATOM 626 CG LEU A 41 4.884 -3.750 -9.400 1.00 0.00 C ATOM 627 CD1 LEU A 41 4.907 -2.445 -10.199 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.577 -4.493 -9.683 1.00 0.00 C ATOM 0 H LEU A 41 6.497 -6.964 -10.618 1.00 0.00 H new ATOM 0 HA LEU A 41 5.225 -4.766 -11.775 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.028 -5.560 -9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.997 -4.126 -9.504 1.00 0.00 H new ATOM 0 HG LEU A 41 4.953 -3.521 -8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.058 -1.826 -9.910 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.833 -1.909 -9.993 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.847 -2.669 -11.264 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.733 -3.864 -9.400 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.515 -4.728 -10.746 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.551 -5.417 -9.105 1.00 0.00 H new ATOM 640 N GLY A 42 8.495 -4.731 -12.033 1.00 0.00 N ATOM 641 CA GLY A 42 9.631 -4.023 -12.630 1.00 0.00 C ATOM 642 C GLY A 42 9.301 -3.563 -14.051 1.00 0.00 C ATOM 643 O GLY A 42 9.611 -2.436 -14.436 1.00 0.00 O ATOM 0 H GLY A 42 8.703 -5.680 -11.722 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.891 -3.161 -12.016 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.503 -4.676 -12.648 1.00 0.00 H new ATOM 647 N LYS A 43 8.650 -4.447 -14.817 1.00 0.00 N ATOM 648 CA LYS A 43 8.256 -4.130 -16.192 1.00 0.00 C ATOM 649 C LYS A 43 7.240 -2.982 -16.215 1.00 0.00 C ATOM 650 O LYS A 43 7.137 -2.248 -17.199 1.00 0.00 O ATOM 651 CB LYS A 43 7.629 -5.362 -16.850 1.00 0.00 C ATOM 652 CG LYS A 43 7.805 -5.285 -18.366 1.00 0.00 C ATOM 653 CD LYS A 43 9.068 -6.046 -18.779 1.00 0.00 C ATOM 654 CE LYS A 43 8.893 -6.597 -20.197 1.00 0.00 C ATOM 655 NZ LYS A 43 9.796 -7.768 -20.394 1.00 0.00 N ATOM 0 H LYS A 43 8.387 -5.383 -14.508 1.00 0.00 H new ATOM 0 HA LYS A 43 9.148 -3.828 -16.740 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.097 -6.268 -16.466 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.570 -5.420 -16.600 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.934 -5.709 -18.865 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.877 -4.244 -18.681 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.933 -5.384 -18.739 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.258 -6.862 -18.082 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.856 -6.893 -20.357 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.120 -5.822 -20.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.676 -8.141 -21.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.784 -7.472 -20.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.559 -8.509 -19.704 1.00 0.00 H new ATOM 669 N VAL A 44 6.501 -2.840 -15.112 1.00 0.00 N ATOM 670 CA VAL A 44 5.494 -1.783 -14.991 1.00 0.00 C ATOM 671 C VAL A 44 6.150 -0.492 -14.511 1.00 0.00 C ATOM 672 O VAL A 44 5.877 0.588 -15.035 1.00 0.00 O ATOM 673 CB VAL A 44 4.395 -2.172 -13.990 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.098 -1.450 -14.359 1.00 0.00 C ATOM 675 CG2 VAL A 44 4.158 -3.689 -14.015 1.00 0.00 C ATOM 0 H VAL A 44 6.581 -3.442 -14.292 1.00 0.00 H new ATOM 0 HA VAL A 44 5.046 -1.640 -15.974 1.00 0.00 H new ATOM 0 HB VAL A 44 4.711 -1.882 -12.988 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.315 -1.723 -13.651 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.259 -0.372 -14.324 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.794 -1.739 -15.365 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.377 -3.947 -13.300 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.849 -3.993 -15.015 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.080 -4.206 -13.747 1.00 0.00 H new ATOM 685 N MET A 45 7.022 -0.625 -13.504 1.00 0.00 N ATOM 686 CA MET A 45 7.731 0.524 -12.942 1.00 0.00 C ATOM 687 C MET A 45 8.487 1.273 -14.035 1.00 0.00 C ATOM 688 O MET A 45 8.485 2.503 -14.071 1.00 0.00 O ATOM 689 CB MET A 45 8.731 0.071 -11.872 1.00 0.00 C ATOM 690 CG MET A 45 7.978 -0.451 -10.645 1.00 0.00 C ATOM 691 SD MET A 45 8.146 0.730 -9.284 1.00 0.00 S ATOM 692 CE MET A 45 6.562 1.576 -9.515 1.00 0.00 C ATOM 0 H MET A 45 7.251 -1.516 -13.064 1.00 0.00 H new ATOM 0 HA MET A 45 6.990 1.184 -12.492 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.377 -0.710 -12.273 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.375 0.903 -11.588 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.925 -0.596 -10.886 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.374 -1.422 -10.348 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.332 2.166 -8.628 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.624 2.233 -10.382 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.775 0.838 -9.674 1.00 0.00 H new ATOM 702 N ARG A 46 9.126 0.514 -14.934 1.00 0.00 N ATOM 703 CA ARG A 46 9.882 1.119 -16.037 1.00 0.00 C ATOM 704 C ARG A 46 8.966 2.002 -16.890 1.00 0.00 C ATOM 705 O ARG A 46 9.374 3.062 -17.368 1.00 0.00 O ATOM 706 CB ARG A 46 10.514 0.040 -16.925 1.00 0.00 C ATOM 707 CG ARG A 46 11.462 -0.829 -16.092 1.00 0.00 C ATOM 708 CD ARG A 46 12.905 -0.593 -16.539 1.00 0.00 C ATOM 709 NE ARG A 46 13.823 -1.476 -15.814 1.00 0.00 N ATOM 710 CZ ARG A 46 14.012 -2.754 -16.176 1.00 0.00 C ATOM 711 NH1 ARG A 46 13.374 -3.265 -17.203 1.00 0.00 N ATOM 712 NH2 ARG A 46 14.844 -3.501 -15.495 1.00 0.00 N ATOM 0 H ARG A 46 9.135 -0.506 -14.921 1.00 0.00 H new ATOM 0 HA ARG A 46 10.674 1.729 -15.603 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.735 -0.579 -17.370 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.060 0.505 -17.746 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.355 -0.589 -15.034 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.203 -1.881 -16.208 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.993 -0.770 -17.611 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.179 0.447 -16.365 1.00 0.00 H new ATOM 0 HE ARG A 46 14.333 -1.108 -15.011 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.724 -2.689 -17.738 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.528 -4.238 -17.466 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.343 -3.110 -14.696 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.993 -4.474 -15.764 1.00 0.00 H new ATOM 726 N MET A 47 7.715 1.556 -17.056 1.00 0.00 N ATOM 727 CA MET A 47 6.728 2.311 -17.834 1.00 0.00 C ATOM 728 C MET A 47 6.182 3.488 -17.017 1.00 0.00 C ATOM 729 O MET A 47 5.802 4.519 -17.575 1.00 0.00 O ATOM 730 CB MET A 47 5.556 1.408 -18.232 1.00 0.00 C ATOM 731 CG MET A 47 6.053 0.276 -19.136 1.00 0.00 C ATOM 732 SD MET A 47 6.418 0.930 -20.784 1.00 0.00 S ATOM 733 CE MET A 47 7.863 -0.104 -21.128 1.00 0.00 C ATOM 0 H MET A 47 7.365 0.682 -16.664 1.00 0.00 H new ATOM 0 HA MET A 47 7.226 2.686 -18.728 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.086 0.993 -17.340 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.796 1.992 -18.751 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.946 -0.179 -18.708 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.298 -0.507 -19.204 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.257 0.138 -22.115 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.630 0.081 -20.376 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.574 -1.155 -21.100 1.00 0.00 H new ATOM 743 N LEU A 48 6.159 3.324 -15.688 1.00 0.00 N ATOM 744 CA LEU A 48 5.671 4.374 -14.791 1.00 0.00 C ATOM 745 C LEU A 48 6.653 5.544 -14.761 1.00 0.00 C ATOM 746 O LEU A 48 6.258 6.702 -14.621 1.00 0.00 O ATOM 747 CB LEU A 48 5.512 3.826 -13.369 1.00 0.00 C ATOM 748 CG LEU A 48 4.101 3.355 -12.996 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.635 2.280 -13.983 1.00 0.00 C ATOM 750 CD2 LEU A 48 4.123 2.767 -11.583 1.00 0.00 C ATOM 0 H LEU A 48 6.472 2.477 -15.214 1.00 0.00 H new ATOM 0 HA LEU A 48 4.705 4.716 -15.162 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.200 2.991 -13.241 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.816 4.600 -12.664 1.00 0.00 H new ATOM 0 HG LEU A 48 3.416 4.202 -13.035 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.632 1.949 -13.714 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.622 2.693 -14.992 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.319 1.432 -13.947 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.122 2.431 -11.313 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.811 1.922 -11.551 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.452 3.529 -10.877 1.00 0.00 H new ATOM 762 N GLY A 49 7.939 5.218 -14.906 1.00 0.00 N ATOM 763 CA GLY A 49 8.992 6.236 -14.906 1.00 0.00 C ATOM 764 C GLY A 49 10.088 5.930 -13.880 1.00 0.00 C ATOM 765 O GLY A 49 10.697 6.849 -13.327 1.00 0.00 O ATOM 0 H GLY A 49 8.275 4.262 -15.024 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.434 6.300 -15.900 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.554 7.210 -14.689 1.00 0.00 H new ATOM 769 N GLN A 50 10.344 4.639 -13.634 1.00 0.00 N ATOM 770 CA GLN A 50 11.381 4.244 -12.673 1.00 0.00 C ATOM 771 C GLN A 50 11.887 2.830 -12.969 1.00 0.00 C ATOM 772 O GLN A 50 11.129 1.961 -13.393 1.00 0.00 O ATOM 773 CB GLN A 50 10.850 4.304 -11.233 1.00 0.00 C ATOM 774 CG GLN A 50 9.548 3.502 -11.113 1.00 0.00 C ATOM 775 CD GLN A 50 8.475 4.363 -10.452 1.00 0.00 C ATOM 776 OE1 GLN A 50 8.284 4.305 -9.237 1.00 0.00 O ATOM 777 NE2 GLN A 50 7.754 5.169 -11.186 1.00 0.00 N ATOM 0 H GLN A 50 9.856 3.862 -14.079 1.00 0.00 H new ATOM 0 HA GLN A 50 12.207 4.948 -12.775 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.596 3.905 -10.546 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.675 5.341 -10.946 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.214 3.181 -12.100 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.718 2.600 -10.525 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.910 5.219 -12.193 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.035 5.748 -10.752 1.00 0.00 H new ATOM 786 N ASN A 51 13.183 2.612 -12.739 1.00 0.00 N ATOM 787 CA ASN A 51 13.788 1.299 -12.985 1.00 0.00 C ATOM 788 C ASN A 51 14.449 0.761 -11.707 1.00 0.00 C ATOM 789 O ASN A 51 15.675 0.781 -11.568 1.00 0.00 O ATOM 790 CB ASN A 51 14.831 1.382 -14.117 1.00 0.00 C ATOM 791 CG ASN A 51 15.716 2.618 -13.938 1.00 0.00 C ATOM 792 OD1 ASN A 51 16.796 2.536 -13.350 1.00 0.00 O ATOM 793 ND2 ASN A 51 15.322 3.767 -14.418 1.00 0.00 N ATOM 0 H ASN A 51 13.829 3.318 -12.387 1.00 0.00 H new ATOM 0 HA ASN A 51 12.995 0.615 -13.288 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.447 0.483 -14.119 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.327 1.425 -15.082 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.908 4.594 -14.306 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.428 3.837 -14.905 1.00 0.00 H new ATOM 800 N PRO A 52 13.639 0.277 -10.756 1.00 0.00 N ATOM 801 CA PRO A 52 14.148 -0.264 -9.480 1.00 0.00 C ATOM 802 C PRO A 52 14.596 -1.726 -9.591 1.00 0.00 C ATOM 803 O PRO A 52 14.849 -2.233 -10.687 1.00 0.00 O ATOM 804 CB PRO A 52 12.927 -0.139 -8.574 1.00 0.00 C ATOM 805 CG PRO A 52 11.702 -0.134 -9.477 1.00 0.00 C ATOM 806 CD PRO A 52 12.169 0.240 -10.888 1.00 0.00 C ATOM 0 HA PRO A 52 15.034 0.261 -9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.883 -0.969 -7.869 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.976 0.777 -7.985 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.224 -1.113 -9.479 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.963 0.581 -9.116 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.849 -0.495 -11.626 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.768 1.203 -11.203 1.00 0.00 H new ATOM 814 N THR A 53 14.684 -2.393 -8.438 1.00 0.00 N ATOM 815 CA THR A 53 15.093 -3.798 -8.388 1.00 0.00 C ATOM 816 C THR A 53 13.883 -4.669 -8.027 1.00 0.00 C ATOM 817 O THR A 53 12.818 -4.142 -7.696 1.00 0.00 O ATOM 818 CB THR A 53 16.207 -3.991 -7.339 1.00 0.00 C ATOM 819 OG1 THR A 53 15.630 -4.176 -6.052 1.00 0.00 O ATOM 820 CG2 THR A 53 17.119 -2.762 -7.308 1.00 0.00 C ATOM 0 H THR A 53 14.478 -1.983 -7.527 1.00 0.00 H new ATOM 0 HA THR A 53 15.476 -4.093 -9.365 1.00 0.00 H new ATOM 0 HB THR A 53 16.793 -4.870 -7.609 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.241 -3.833 -5.367 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.902 -2.909 -6.564 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.572 -2.621 -8.289 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.533 -1.880 -7.049 1.00 0.00 H new ATOM 828 N PRO A 54 14.025 -6.002 -8.068 1.00 0.00 N ATOM 829 CA PRO A 54 12.917 -6.915 -7.724 1.00 0.00 C ATOM 830 C PRO A 54 12.628 -6.939 -6.224 1.00 0.00 C ATOM 831 O PRO A 54 11.488 -7.156 -5.807 1.00 0.00 O ATOM 832 CB PRO A 54 13.421 -8.261 -8.232 1.00 0.00 C ATOM 833 CG PRO A 54 14.936 -8.167 -8.300 1.00 0.00 C ATOM 834 CD PRO A 54 15.286 -6.683 -8.441 1.00 0.00 C ATOM 0 HA PRO A 54 11.967 -6.616 -8.167 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.113 -9.066 -7.564 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.003 -8.484 -9.214 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.389 -8.587 -7.402 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.320 -8.736 -9.147 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.107 -6.399 -7.783 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.592 -6.436 -9.458 1.00 0.00 H new ATOM 842 N GLU A 55 13.662 -6.680 -5.415 1.00 0.00 N ATOM 843 CA GLU A 55 13.485 -6.640 -3.965 1.00 0.00 C ATOM 844 C GLU A 55 12.914 -5.281 -3.544 1.00 0.00 C ATOM 845 O GLU A 55 12.161 -5.188 -2.574 1.00 0.00 O ATOM 846 CB GLU A 55 14.810 -6.899 -3.227 1.00 0.00 C ATOM 847 CG GLU A 55 15.859 -5.850 -3.615 1.00 0.00 C ATOM 848 CD GLU A 55 17.038 -5.926 -2.650 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.930 -6.722 -2.895 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.033 -5.184 -1.680 1.00 0.00 O ATOM 0 H GLU A 55 14.613 -6.498 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 55 12.787 -7.431 -3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.644 -6.873 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.178 -7.896 -3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.200 -6.022 -4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.418 -4.853 -3.589 1.00 0.00 H new ATOM 857 N GLU A 56 13.277 -4.228 -4.297 1.00 0.00 N ATOM 858 CA GLU A 56 12.795 -2.878 -4.004 1.00 0.00 C ATOM 859 C GLU A 56 11.311 -2.745 -4.351 1.00 0.00 C ATOM 860 O GLU A 56 10.521 -2.258 -3.541 1.00 0.00 O ATOM 861 CB GLU A 56 13.593 -1.838 -4.799 1.00 0.00 C ATOM 862 CG GLU A 56 14.928 -1.565 -4.096 1.00 0.00 C ATOM 863 CD GLU A 56 14.709 -0.592 -2.941 1.00 0.00 C ATOM 864 OE1 GLU A 56 14.688 0.602 -3.193 1.00 0.00 O ATOM 865 OE2 GLU A 56 14.567 -1.054 -1.820 1.00 0.00 O ATOM 0 H GLU A 56 13.897 -4.290 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 56 12.930 -2.700 -2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.771 -2.199 -5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.021 -0.914 -4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.352 -2.498 -3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.645 -1.149 -4.804 1.00 0.00 H new ATOM 872 N LEU A 57 10.938 -3.187 -5.560 1.00 0.00 N ATOM 873 CA LEU A 57 9.541 -3.111 -5.989 1.00 0.00 C ATOM 874 C LEU A 57 8.648 -3.964 -5.084 1.00 0.00 C ATOM 875 O LEU A 57 7.504 -3.604 -4.818 1.00 0.00 O ATOM 876 CB LEU A 57 9.381 -3.571 -7.445 1.00 0.00 C ATOM 877 CG LEU A 57 9.910 -4.974 -7.778 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.792 -6.010 -7.607 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.395 -4.996 -9.231 1.00 0.00 C ATOM 0 H LEU A 57 11.574 -3.594 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 57 9.234 -2.068 -5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.322 -3.535 -7.701 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.889 -2.852 -8.088 1.00 0.00 H new ATOM 0 HG LEU A 57 10.732 -5.217 -7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.176 -7.002 -7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.437 -5.996 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.967 -5.769 -8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.772 -5.990 -9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.566 -4.750 -9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.192 -4.264 -9.360 1.00 0.00 H new ATOM 891 N GLN A 58 9.183 -5.093 -4.607 1.00 0.00 N ATOM 892 CA GLN A 58 8.415 -5.979 -3.725 1.00 0.00 C ATOM 893 C GLN A 58 8.000 -5.253 -2.438 1.00 0.00 C ATOM 894 O GLN A 58 6.947 -5.540 -1.869 1.00 0.00 O ATOM 895 CB GLN A 58 9.235 -7.221 -3.358 1.00 0.00 C ATOM 896 CG GLN A 58 8.310 -8.301 -2.784 1.00 0.00 C ATOM 897 CD GLN A 58 7.399 -8.845 -3.884 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.806 -9.704 -4.666 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.177 -8.392 -3.993 1.00 0.00 N ATOM 0 H GLN A 58 10.130 -5.412 -4.812 1.00 0.00 H new ATOM 0 HA GLN A 58 7.519 -6.282 -4.267 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.751 -7.602 -4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.001 -6.960 -2.628 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.903 -9.110 -2.357 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.709 -7.885 -1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.837 -7.680 -3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.564 -8.751 -4.725 1.00 0.00 H new ATOM 908 N GLU A 59 8.837 -4.308 -1.987 1.00 0.00 N ATOM 909 CA GLU A 59 8.544 -3.547 -0.767 1.00 0.00 C ATOM 910 C GLU A 59 7.315 -2.658 -0.962 1.00 0.00 C ATOM 911 O GLU A 59 6.395 -2.675 -0.142 1.00 0.00 O ATOM 912 CB GLU A 59 9.737 -2.669 -0.374 1.00 0.00 C ATOM 913 CG GLU A 59 10.793 -3.516 0.344 1.00 0.00 C ATOM 914 CD GLU A 59 12.162 -2.852 0.211 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.407 -1.891 0.924 1.00 0.00 O ATOM 916 OE2 GLU A 59 12.947 -3.315 -0.600 1.00 0.00 O ATOM 0 H GLU A 59 9.713 -4.055 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 59 8.347 -4.266 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.170 -2.209 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.405 -1.859 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.532 -3.625 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.821 -4.518 -0.083 1.00 0.00 H new ATOM 923 N MET A 60 7.304 -1.885 -2.054 1.00 0.00 N ATOM 924 CA MET A 60 6.167 -0.999 -2.335 1.00 0.00 C ATOM 925 C MET A 60 4.915 -1.815 -2.664 1.00 0.00 C ATOM 926 O MET A 60 3.794 -1.385 -2.382 1.00 0.00 O ATOM 927 CB MET A 60 6.478 -0.037 -3.493 1.00 0.00 C ATOM 928 CG MET A 60 6.794 -0.820 -4.771 1.00 0.00 C ATOM 929 SD MET A 60 6.758 0.306 -6.189 1.00 0.00 S ATOM 930 CE MET A 60 8.392 1.044 -5.940 1.00 0.00 C ATOM 0 H MET A 60 8.053 -1.853 -2.746 1.00 0.00 H new ATOM 0 HA MET A 60 5.984 -0.409 -1.437 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.627 0.622 -3.664 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.324 0.597 -3.229 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.774 -1.290 -4.690 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.067 -1.621 -4.909 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.544 1.844 -6.665 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.457 1.451 -4.931 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.160 0.282 -6.074 1.00 0.00 H new ATOM 940 N ILE A 61 5.119 -3.003 -3.246 1.00 0.00 N ATOM 941 CA ILE A 61 4.001 -3.883 -3.588 1.00 0.00 C ATOM 942 C ILE A 61 3.371 -4.424 -2.309 1.00 0.00 C ATOM 943 O ILE A 61 2.157 -4.396 -2.150 1.00 0.00 O ATOM 944 CB ILE A 61 4.471 -5.053 -4.463 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.895 -4.515 -5.831 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.334 -6.067 -4.650 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.787 -5.540 -6.531 1.00 0.00 C ATOM 0 H ILE A 61 6.039 -3.372 -3.487 1.00 0.00 H new ATOM 0 HA ILE A 61 3.266 -3.306 -4.150 1.00 0.00 H new ATOM 0 HB ILE A 61 5.311 -5.548 -3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.015 -4.307 -6.440 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.430 -3.573 -5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.681 -6.892 -5.273 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.025 -6.451 -3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.487 -5.579 -5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.088 -5.155 -7.505 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.673 -5.725 -5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.236 -6.471 -6.663 1.00 0.00 H new ATOM 959 N ASP A 62 4.216 -4.902 -1.395 1.00 0.00 N ATOM 960 CA ASP A 62 3.731 -5.434 -0.118 1.00 0.00 C ATOM 961 C ASP A 62 2.910 -4.374 0.624 1.00 0.00 C ATOM 962 O ASP A 62 1.909 -4.690 1.272 1.00 0.00 O ATOM 963 CB ASP A 62 4.906 -5.867 0.765 1.00 0.00 C ATOM 964 CG ASP A 62 4.393 -6.696 1.940 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.222 -7.891 1.767 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.177 -6.121 2.996 1.00 0.00 O ATOM 0 H ASP A 62 5.229 -4.933 -1.511 1.00 0.00 H new ATOM 0 HA ASP A 62 3.102 -6.298 -0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.617 -6.450 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.439 -4.990 1.132 1.00 0.00 H new ATOM 971 N GLU A 63 3.350 -3.114 0.519 1.00 0.00 N ATOM 972 CA GLU A 63 2.659 -2.004 1.182 1.00 0.00 C ATOM 973 C GLU A 63 1.302 -1.718 0.527 1.00 0.00 C ATOM 974 O GLU A 63 0.292 -1.573 1.218 1.00 0.00 O ATOM 975 CB GLU A 63 3.513 -0.730 1.128 1.00 0.00 C ATOM 976 CG GLU A 63 4.738 -0.889 2.034 1.00 0.00 C ATOM 977 CD GLU A 63 4.344 -0.622 3.486 1.00 0.00 C ATOM 978 OE1 GLU A 63 3.958 -1.565 4.159 1.00 0.00 O ATOM 979 OE2 GLU A 63 4.436 0.521 3.903 1.00 0.00 O ATOM 0 H GLU A 63 4.175 -2.840 -0.015 1.00 0.00 H new ATOM 0 HA GLU A 63 2.497 -2.298 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.830 -0.536 0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.922 0.129 1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.146 -1.895 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.522 -0.197 1.727 1.00 0.00 H new ATOM 986 N VAL A 64 1.290 -1.630 -0.809 1.00 0.00 N ATOM 987 CA VAL A 64 0.047 -1.350 -1.540 1.00 0.00 C ATOM 988 C VAL A 64 -0.889 -2.571 -1.538 1.00 0.00 C ATOM 989 O VAL A 64 -2.113 -2.421 -1.520 1.00 0.00 O ATOM 990 CB VAL A 64 0.353 -0.923 -2.987 1.00 0.00 C ATOM 991 CG1 VAL A 64 0.993 -2.081 -3.756 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.943 -0.501 -3.686 1.00 0.00 C ATOM 0 H VAL A 64 2.114 -1.747 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.459 -0.531 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 64 1.047 -0.083 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.205 -1.766 -4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.922 -2.373 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.309 -2.929 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.723 -0.199 -4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.640 -1.339 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.390 0.336 -3.149 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.305 -3.777 -1.545 1.00 0.00 N ATOM 1003 CA ASP A 65 -1.097 -5.007 -1.531 1.00 0.00 C ATOM 1004 C ASP A 65 -1.561 -5.302 -0.106 1.00 0.00 C ATOM 1005 O ASP A 65 -0.803 -5.823 0.717 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.274 -6.196 -2.054 1.00 0.00 C ATOM 1007 CG ASP A 65 -1.061 -6.948 -3.128 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.994 -7.651 -2.773 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.713 -6.813 -4.291 1.00 0.00 O ATOM 0 H ASP A 65 0.704 -3.923 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.960 -4.867 -2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.671 -5.841 -2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.031 -6.869 -1.232 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.816 -4.951 0.177 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.387 -5.170 1.511 1.00 0.00 C ATOM 1016 C GLU A 66 -3.431 -6.661 1.841 1.00 0.00 C ATOM 1017 O GLU A 66 -3.051 -7.081 2.936 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.811 -4.607 1.592 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.824 -3.152 1.117 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.158 -2.507 1.483 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.098 -2.664 0.722 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -6.219 -1.868 2.522 1.00 0.00 O ATOM 0 H GLU A 66 -3.453 -4.518 -0.491 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.749 -4.654 2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.483 -5.205 0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.177 -4.667 2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.004 -2.601 1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.671 -3.109 0.039 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.900 -7.452 0.875 1.00 0.00 N ATOM 1030 CA ASP A 67 -4.000 -8.904 1.054 1.00 0.00 C ATOM 1031 C ASP A 67 -2.639 -9.581 0.855 1.00 0.00 C ATOM 1032 O ASP A 67 -2.316 -10.552 1.542 1.00 0.00 O ATOM 1033 CB ASP A 67 -5.022 -9.510 0.076 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.793 -8.977 -1.341 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.277 -7.895 -1.637 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -4.140 -9.659 -2.109 1.00 0.00 O ATOM 0 H ASP A 67 -4.215 -7.116 -0.035 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.336 -9.082 2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.937 -10.597 0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.033 -9.268 0.402 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.850 -9.063 -0.091 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.530 -9.630 -0.374 1.00 0.00 C ATOM 1043 C GLY A 68 -0.667 -10.973 -1.086 1.00 0.00 C ATOM 1044 O GLY A 68 -0.040 -11.963 -0.703 1.00 0.00 O ATOM 0 H GLY A 68 -2.100 -8.260 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.044 -8.940 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.024 -9.759 0.556 1.00 0.00 H new ATOM 1048 N SER A 69 -1.505 -10.990 -2.125 1.00 0.00 N ATOM 1049 CA SER A 69 -1.746 -12.213 -2.899 1.00 0.00 C ATOM 1050 C SER A 69 -0.660 -12.451 -3.962 1.00 0.00 C ATOM 1051 O SER A 69 -0.679 -13.472 -4.654 1.00 0.00 O ATOM 1052 CB SER A 69 -3.105 -12.134 -3.604 1.00 0.00 C ATOM 1053 OG SER A 69 -3.158 -10.952 -4.401 1.00 0.00 O ATOM 0 H SER A 69 -2.026 -10.176 -2.450 1.00 0.00 H new ATOM 0 HA SER A 69 -1.728 -13.042 -2.191 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.254 -13.014 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.909 -12.126 -2.868 1.00 0.00 H new ATOM 0 HG SER A 69 -3.512 -10.212 -3.865 1.00 0.00 H new ATOM 1059 N GLY A 70 0.269 -11.497 -4.107 1.00 0.00 N ATOM 1060 CA GLY A 70 1.325 -11.617 -5.111 1.00 0.00 C ATOM 1061 C GLY A 70 0.820 -11.140 -6.474 1.00 0.00 C ATOM 1062 O GLY A 70 1.424 -11.427 -7.509 1.00 0.00 O ATOM 0 H GLY A 70 0.308 -10.645 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.191 -11.027 -4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.654 -12.654 -5.180 1.00 0.00 H new ATOM 1066 N THR A 71 -0.300 -10.402 -6.456 1.00 0.00 N ATOM 1067 CA THR A 71 -0.897 -9.876 -7.679 1.00 0.00 C ATOM 1068 C THR A 71 -1.493 -8.497 -7.404 1.00 0.00 C ATOM 1069 O THR A 71 -2.234 -8.308 -6.434 1.00 0.00 O ATOM 1070 CB THR A 71 -1.998 -10.816 -8.197 1.00 0.00 C ATOM 1071 OG1 THR A 71 -3.096 -10.815 -7.293 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.446 -12.239 -8.319 1.00 0.00 C ATOM 0 H THR A 71 -0.806 -10.159 -5.604 1.00 0.00 H new ATOM 0 HA THR A 71 -0.119 -9.799 -8.439 1.00 0.00 H new ATOM 0 HB THR A 71 -2.332 -10.469 -9.175 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.764 -10.907 -6.375 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.229 -12.903 -8.686 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.608 -12.246 -9.016 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.108 -12.583 -7.342 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.152 -7.532 -8.255 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.652 -6.169 -8.081 1.00 0.00 C ATOM 1082 C VAL A 72 -3.013 -6.006 -8.745 1.00 0.00 C ATOM 1083 O VAL A 72 -3.166 -6.240 -9.946 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.691 -5.138 -8.685 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -1.077 -3.737 -8.202 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.744 -5.444 -8.253 1.00 0.00 C ATOM 0 H VAL A 72 -0.541 -7.664 -9.061 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.737 -5.996 -7.008 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.756 -5.185 -9.772 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.394 -3.003 -8.631 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.096 -3.512 -8.516 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.016 -3.697 -7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.420 -4.707 -8.687 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.813 -5.404 -7.166 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.023 -6.439 -8.598 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.990 -5.571 -7.953 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.336 -5.338 -8.471 1.00 0.00 C ATOM 1098 C ASP A 73 -5.395 -3.917 -9.021 1.00 0.00 C ATOM 1099 O ASP A 73 -4.517 -3.106 -8.732 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.397 -5.499 -7.368 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.082 -6.714 -6.489 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.790 -7.767 -7.034 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -6.142 -6.573 -5.278 1.00 0.00 O ATOM 0 H ASP A 73 -3.877 -5.374 -6.959 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.548 -6.070 -9.250 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.431 -4.599 -6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.383 -5.615 -7.818 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.420 -3.610 -9.816 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.534 -2.265 -10.382 1.00 0.00 C ATOM 1110 C PHE A 74 -6.588 -1.209 -9.272 1.00 0.00 C ATOM 1111 O PHE A 74 -6.061 -0.107 -9.428 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.772 -2.139 -11.274 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.661 -0.882 -12.099 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.477 -0.611 -12.793 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.737 0.008 -12.169 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.369 0.556 -13.555 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.629 1.175 -12.933 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.445 1.449 -13.624 1.00 0.00 C ATOM 0 H PHE A 74 -7.166 -4.255 -10.078 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.648 -2.094 -10.993 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.857 -3.009 -11.925 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.674 -2.109 -10.663 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.648 -1.302 -12.740 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.651 -0.205 -11.634 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.456 0.769 -14.090 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.459 1.863 -12.989 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.360 2.351 -14.212 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.213 -1.565 -8.142 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.306 -0.645 -7.005 1.00 0.00 C ATOM 1130 C ASP A 75 -5.914 -0.406 -6.412 1.00 0.00 C ATOM 1131 O ASP A 75 -5.545 0.727 -6.101 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.225 -1.213 -5.917 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.661 -1.273 -6.435 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.011 -2.275 -7.037 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -10.388 -0.316 -6.221 1.00 0.00 O ATOM 0 H ASP A 75 -7.656 -2.472 -7.993 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.723 0.296 -7.364 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.890 -2.209 -5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.176 -0.590 -5.024 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.144 -1.494 -6.279 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.781 -1.409 -5.744 1.00 0.00 C ATOM 1142 C GLU A 76 -2.848 -0.752 -6.772 1.00 0.00 C ATOM 1143 O GLU A 76 -1.869 -0.095 -6.414 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.245 -2.809 -5.402 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.212 -3.520 -4.440 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.777 -4.975 -4.216 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.258 -5.580 -5.142 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.985 -5.470 -3.120 1.00 0.00 O ATOM 0 H GLU A 76 -5.440 -2.437 -6.533 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.811 -0.805 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.128 -3.396 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.258 -2.729 -4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.239 -2.992 -3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.223 -3.495 -4.847 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.175 -0.939 -8.056 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.385 -0.372 -9.149 1.00 0.00 C ATOM 1157 C PHE A 77 -2.428 1.156 -9.109 1.00 0.00 C ATOM 1158 O PHE A 77 -1.394 1.821 -9.183 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.954 -0.850 -10.494 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.874 -1.018 -11.543 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.519 -1.190 -11.194 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.248 -1.011 -12.889 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.442 -1.350 -12.198 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.287 -1.171 -13.886 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.057 -1.340 -13.544 1.00 0.00 C ATOM 0 H PHE A 77 -3.984 -1.480 -8.361 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.352 -0.703 -9.037 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.471 -1.799 -10.352 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.695 -0.134 -10.849 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.224 -1.198 -10.155 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.286 -0.881 -13.158 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.481 -1.481 -11.935 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.582 -1.164 -14.925 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.800 -1.463 -14.319 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.645 1.700 -8.995 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.834 3.154 -8.950 1.00 0.00 C ATOM 1177 C LEU A 78 -3.323 3.739 -7.631 1.00 0.00 C ATOM 1178 O LEU A 78 -2.877 4.887 -7.589 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.315 3.506 -9.119 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.798 3.650 -10.570 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -5.269 2.492 -11.421 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.326 3.639 -10.594 1.00 0.00 C ATOM 0 H LEU A 78 -4.508 1.160 -8.933 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.260 3.586 -9.770 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.912 2.736 -8.630 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.511 4.441 -8.595 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.425 4.589 -10.979 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.618 2.605 -12.447 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.179 2.498 -11.406 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.633 1.547 -11.016 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.674 3.741 -11.622 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.690 2.699 -10.179 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.705 4.469 -9.998 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.382 2.939 -6.558 1.00 0.00 N ATOM 1195 CA VAL A 79 -2.910 3.392 -5.245 1.00 0.00 C ATOM 1196 C VAL A 79 -1.427 3.769 -5.333 1.00 0.00 C ATOM 1197 O VAL A 79 -1.019 4.832 -4.866 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.113 2.286 -4.193 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.041 2.380 -3.103 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.497 2.439 -3.555 1.00 0.00 C ATOM 0 H VAL A 79 -3.747 1.987 -6.573 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.486 4.267 -4.943 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.034 1.316 -4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.199 1.591 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.054 2.265 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.105 3.351 -2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.643 1.657 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.571 3.415 -3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.264 2.354 -4.325 1.00 0.00 H new ATOM 1210 N MET A 80 -0.634 2.881 -5.941 1.00 0.00 N ATOM 1211 CA MET A 80 0.808 3.112 -6.106 1.00 0.00 C ATOM 1212 C MET A 80 1.109 4.525 -6.637 1.00 0.00 C ATOM 1213 O MET A 80 2.186 5.068 -6.383 1.00 0.00 O ATOM 1214 CB MET A 80 1.403 2.084 -7.076 1.00 0.00 C ATOM 1215 CG MET A 80 2.655 1.458 -6.460 1.00 0.00 C ATOM 1216 SD MET A 80 3.537 0.504 -7.722 1.00 0.00 S ATOM 1217 CE MET A 80 2.947 -1.135 -7.228 1.00 0.00 C ATOM 0 H MET A 80 -0.964 1.996 -6.327 1.00 0.00 H new ATOM 0 HA MET A 80 1.261 3.009 -5.120 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.668 1.310 -7.296 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.653 2.564 -8.022 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.304 2.236 -6.058 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.379 0.811 -5.627 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.519 -1.901 -7.752 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.074 -1.259 -6.153 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.892 -1.234 -7.482 1.00 0.00 H new ATOM 1227 N MET A 81 0.152 5.120 -7.369 1.00 0.00 N ATOM 1228 CA MET A 81 0.341 6.470 -7.915 1.00 0.00 C ATOM 1229 C MET A 81 0.518 7.483 -6.781 1.00 0.00 C ATOM 1230 O MET A 81 1.533 8.178 -6.708 1.00 0.00 O ATOM 1231 CB MET A 81 -0.860 6.882 -8.779 1.00 0.00 C ATOM 1232 CG MET A 81 -0.618 8.273 -9.381 1.00 0.00 C ATOM 1233 SD MET A 81 -0.640 8.171 -11.189 1.00 0.00 S ATOM 1234 CE MET A 81 1.029 7.507 -11.401 1.00 0.00 C ATOM 0 H MET A 81 -0.747 4.693 -7.593 1.00 0.00 H new ATOM 0 HA MET A 81 1.237 6.458 -8.535 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.013 6.153 -9.575 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.768 6.890 -8.175 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.385 8.967 -9.037 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.341 8.665 -9.041 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.193 7.263 -12.451 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.760 8.251 -11.083 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.142 6.606 -10.798 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.480 7.549 -5.893 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.424 8.475 -4.754 1.00 0.00 C ATOM 1246 C VAL A 82 0.727 8.100 -3.814 1.00 0.00 C ATOM 1247 O VAL A 82 1.318 8.969 -3.170 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.742 8.471 -3.967 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.853 9.072 -4.829 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.120 7.038 -3.580 1.00 0.00 C ATOM 0 H VAL A 82 -1.326 6.981 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.258 9.475 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.616 9.065 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.789 9.069 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.593 10.096 -5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.970 8.479 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.056 7.047 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.240 6.437 -4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.333 6.609 -2.960 1.00 0.00 H new ATOM 1260 N ARG A 83 1.047 6.800 -3.755 1.00 0.00 N ATOM 1261 CA ARG A 83 2.142 6.321 -2.907 1.00 0.00 C ATOM 1262 C ARG A 83 3.459 6.974 -3.334 1.00 0.00 C ATOM 1263 O ARG A 83 4.287 7.334 -2.496 1.00 0.00 O ATOM 1264 CB ARG A 83 2.291 4.798 -3.015 1.00 0.00 C ATOM 1265 CG ARG A 83 1.058 4.111 -2.422 1.00 0.00 C ATOM 1266 CD ARG A 83 1.489 2.850 -1.669 1.00 0.00 C ATOM 1267 NE ARG A 83 0.378 2.309 -0.883 1.00 0.00 N ATOM 1268 CZ ARG A 83 0.012 2.846 0.291 1.00 0.00 C ATOM 1269 NH1 ARG A 83 0.640 3.891 0.779 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -0.985 2.322 0.957 1.00 0.00 N ATOM 0 H ARG A 83 0.567 6.069 -4.280 1.00 0.00 H new ATOM 0 HA ARG A 83 1.908 6.587 -1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.413 4.509 -4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.188 4.473 -2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.539 4.791 -1.747 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.356 3.852 -3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.839 2.099 -2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.327 3.082 -1.011 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.132 1.501 -1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.417 4.305 0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.351 4.288 1.673 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.478 1.511 0.583 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.269 2.724 1.850 1.00 0.00 H new ATOM 1284 N CYS A 84 3.630 7.128 -4.652 1.00 0.00 N ATOM 1285 CA CYS A 84 4.840 7.747 -5.200 1.00 0.00 C ATOM 1286 C CYS A 84 4.861 9.246 -4.896 1.00 0.00 C ATOM 1287 O CYS A 84 5.895 9.799 -4.520 1.00 0.00 O ATOM 1288 CB CYS A 84 4.913 7.544 -6.717 1.00 0.00 C ATOM 1289 SG CYS A 84 5.536 5.882 -7.075 1.00 0.00 S ATOM 0 H CYS A 84 2.950 6.835 -5.354 1.00 0.00 H new ATOM 0 HA CYS A 84 5.700 7.269 -4.731 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.926 7.677 -7.160 1.00 0.00 H new ATOM 0 HB3 CYS A 84 5.567 8.293 -7.164 1.00 0.00 H new ATOM 0 HG CYS A 84 5.596 5.709 -8.362 1.00 0.00 H new ATOM 1295 N MET A 85 3.701 9.895 -5.060 1.00 0.00 N ATOM 1296 CA MET A 85 3.588 11.333 -4.796 1.00 0.00 C ATOM 1297 C MET A 85 3.871 11.631 -3.324 1.00 0.00 C ATOM 1298 O MET A 85 4.740 12.444 -3.004 1.00 0.00 O ATOM 1299 CB MET A 85 2.186 11.841 -5.149 1.00 0.00 C ATOM 1300 CG MET A 85 2.122 12.176 -6.642 1.00 0.00 C ATOM 1301 SD MET A 85 0.813 13.395 -6.934 1.00 0.00 S ATOM 1302 CE MET A 85 1.811 14.880 -6.655 1.00 0.00 C ATOM 0 H MET A 85 2.837 9.452 -5.371 1.00 0.00 H new ATOM 0 HA MET A 85 4.323 11.844 -5.418 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.441 11.084 -4.904 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.949 12.725 -4.557 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.081 12.569 -6.978 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.928 11.273 -7.220 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.190 15.766 -6.786 1.00 0.00 H new ATOM 0 HE2 MET A 85 2.211 14.864 -5.641 1.00 0.00 H new ATOM 0 HE3 MET A 85 2.634 14.905 -7.369 1.00 0.00 H new ATOM 1312 N LYS A 86 3.129 10.954 -2.435 1.00 0.00 N ATOM 1313 CA LYS A 86 3.296 11.130 -0.986 1.00 0.00 C ATOM 1314 C LYS A 86 2.738 12.477 -0.522 1.00 0.00 C ATOM 1315 O LYS A 86 2.634 13.430 -1.298 1.00 0.00 O ATOM 1316 CB LYS A 86 4.777 11.036 -0.587 1.00 0.00 C ATOM 1317 CG LYS A 86 4.922 10.137 0.644 1.00 0.00 C ATOM 1318 CD LYS A 86 5.084 8.681 0.198 1.00 0.00 C ATOM 1319 CE LYS A 86 5.800 7.883 1.292 1.00 0.00 C ATOM 1320 NZ LYS A 86 4.795 7.311 2.234 1.00 0.00 N ATOM 0 H LYS A 86 2.408 10.280 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 86 2.740 10.328 -0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.362 10.634 -1.414 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.170 12.030 -0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.785 10.446 1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.046 10.237 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.107 8.242 -0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.654 8.636 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.391 7.083 0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.493 8.528 1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.283 6.770 2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.250 8.082 2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.150 6.682 1.714 1.00 0.00 H new ATOM 1334 N ASP A 87 2.381 12.537 0.763 1.00 0.00 N ATOM 1335 CA ASP A 87 1.832 13.765 1.348 1.00 0.00 C ATOM 1336 C ASP A 87 2.948 14.665 1.890 1.00 0.00 C ATOM 1337 O ASP A 87 2.820 15.891 1.884 1.00 0.00 O ATOM 1338 CB ASP A 87 0.850 13.438 2.485 1.00 0.00 C ATOM 1339 CG ASP A 87 1.523 12.556 3.539 1.00 0.00 C ATOM 1340 OD1 ASP A 87 1.493 11.346 3.377 1.00 0.00 O ATOM 1341 OD2 ASP A 87 2.053 13.103 4.493 1.00 0.00 O ATOM 0 H ASP A 87 2.461 11.757 1.415 1.00 0.00 H new ATOM 0 HA ASP A 87 1.302 14.293 0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.498 14.361 2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.026 12.929 2.082 1.00 0.00 H new ATOM 1346 N ASP A 88 4.039 14.046 2.360 1.00 0.00 N ATOM 1347 CA ASP A 88 5.170 14.803 2.905 1.00 0.00 C ATOM 1348 C ASP A 88 5.763 15.730 1.841 1.00 0.00 C ATOM 1349 O ASP A 88 5.856 16.942 2.041 1.00 0.00 O ATOM 1350 CB ASP A 88 6.263 13.851 3.409 1.00 0.00 C ATOM 1351 CG ASP A 88 7.335 14.643 4.154 1.00 0.00 C ATOM 1352 OD1 ASP A 88 7.169 14.855 5.344 1.00 0.00 O ATOM 1353 OD2 ASP A 88 8.308 15.025 3.523 1.00 0.00 O ATOM 0 H ASP A 88 4.161 13.033 2.374 1.00 0.00 H new ATOM 0 HA ASP A 88 4.800 15.402 3.737 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.828 13.100 4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.709 13.318 2.570 1.00 0.00 H new ATOM 1358 N SER A 89 6.161 15.143 0.709 1.00 0.00 N ATOM 1359 CA SER A 89 6.744 15.922 -0.386 1.00 0.00 C ATOM 1360 C SER A 89 5.735 16.084 -1.522 1.00 0.00 C ATOM 1361 O SER A 89 5.172 15.085 -1.945 1.00 0.00 O ATOM 1362 CB SER A 89 8.005 15.238 -0.921 1.00 0.00 C ATOM 1363 OG SER A 89 8.965 15.141 0.124 1.00 0.00 O ATOM 1364 OXT SER A 89 5.535 17.210 -1.950 1.00 0.00 O ATOM 0 H SER A 89 6.091 14.142 0.528 1.00 0.00 H new ATOM 0 HA SER A 89 7.009 16.905 0.003 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.761 14.246 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.415 15.807 -1.756 1.00 0.00 H new ATOM 0 HG SER A 89 9.773 14.702 -0.214 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -3.530 -8.145 -4.013 1.00 0.00 CA