USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1067 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 82 THR OG1 : rot 71:sc= 1.27 USER MOD Set 1.2: A 85 LYS NZ :NH3+ 166:sc= 0.413 (180deg=0) USER MOD Set 1.3: A 99 ASN : amide:sc= -1.37! K(o=0.32!,f=-1.8) USER MOD Set 2.1: A 96 TYR OH : rot 86:sc= 1.88 USER MOD Set 2.2: A 119 TYR OH : rot -106:sc= 1.32 USER MOD Set 3.1: A 46 THR OG1 : rot -160:sc= 0.00149 USER MOD Set 3.2: A 48 ASN : amide:sc= -0.0435 K(o=-0.042,f=-0.92!) USER MOD Set 4.1: A 40 TYR OH : rot 148:sc= 0.388 USER MOD Set 4.2: A 110 THR OG1 : rot 64:sc= 1.2 USER MOD Single : A 8 GLN : amide:sc= -1.38! X(o=-1.4!,f=-0.89) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.964 K(o=-0.96,f=-6.3!) USER MOD Single : A 25 TYR OH : rot 52:sc= 0.202 USER MOD Single : A 26 GLN : amide:sc= -0.0207 X(o=-0.021,f=-0.47) USER MOD Single : A 29 TYR OH : rot 180:sc=-0.00415 USER MOD Single : A 30 SER OG : rot 79:sc= 1.24 USER MOD Single : A 33 LYS NZ :NH3+ -129:sc= 0.907 (180deg=-0.295) USER MOD Single : A 35 HIS : no HD1:sc= -1.09! C(o=-1.1!,f=-3.5!) USER MOD Single : A 36 ASN : amide:sc= -0.868 K(o=-0.87,f=-3.9!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0579 USER MOD Single : A 39 HIS : no HD1:sc= -0.0671 X(o=-0.067,f=0) USER MOD Single : A 42 TYR OH : rot 14:sc= 1.44 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0511) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.347 F(o=-1.3,f=-0.35) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0524 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -163:sc= -0.0337 (180deg=-0.314) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot -82:sc= 0.482 USER MOD Single : A 83 SER OG : rot 88:sc= 1.21 USER MOD Single : A 84 ASN : amide:sc= 1.13 K(o=1.1,f=-0.081) USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= -0.0277 (180deg=-0.213) USER MOD Single : A 88 SER OG : rot -94:sc= -0.977 USER MOD Single : A 92 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 102 LYS NZ :NH3+ 166:sc= -0.016 (180deg=-0.205) USER MOD Single : A 111 ASN : amide:sc= -0.11 K(o=-0.11,f=-5.1!) USER MOD Single : A 113 HIS : no HE2:sc= 1.17 K(o=1.2,f=-5.7!) USER MOD Single : A 115 GLN : amide:sc= -0.0357 K(o=-0.036,f=-0.78) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 52:sc= 0.0135 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -101:sc= -0.489 USER MOD Single : A 131 SER OG : rot 180:sc= 0.103 USER MOD Single : A 133 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -4.535 14.543 -15.842 1.00 0.00 N ATOM 2 CA ASP A 7 -5.185 13.348 -15.331 1.00 0.00 C ATOM 3 C ASP A 7 -4.801 13.141 -13.872 1.00 0.00 C ATOM 4 O ASP A 7 -3.617 13.120 -13.533 1.00 0.00 O ATOM 5 CB ASP A 7 -4.775 12.121 -16.154 1.00 0.00 C ATOM 6 CG ASP A 7 -5.682 10.930 -15.917 1.00 0.00 C ATOM 7 OD1 ASP A 7 -6.064 10.685 -14.757 1.00 0.00 O ATOM 8 OD2 ASP A 7 -6.009 10.226 -16.896 1.00 0.00 O ATOM 0 HA ASP A 7 -6.265 13.475 -15.409 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.788 12.378 -17.213 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.750 11.847 -15.905 1.00 0.00 H new ATOM 13 N GLN A 8 -5.802 12.982 -13.015 1.00 0.00 N ATOM 14 CA GLN A 8 -5.572 12.819 -11.584 1.00 0.00 C ATOM 15 C GLN A 8 -4.879 11.490 -11.284 1.00 0.00 C ATOM 16 O GLN A 8 -4.366 11.291 -10.185 1.00 0.00 O ATOM 17 CB GLN A 8 -6.884 12.912 -10.816 1.00 0.00 C ATOM 18 CG GLN A 8 -7.805 11.743 -11.076 1.00 0.00 C ATOM 19 CD GLN A 8 -9.183 11.916 -10.467 1.00 0.00 C ATOM 20 OE1 GLN A 8 -9.833 10.945 -10.095 1.00 0.00 O ATOM 21 NE2 GLN A 8 -9.649 13.152 -10.374 1.00 0.00 N ATOM 0 H GLN A 8 -6.785 12.962 -13.287 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.916 13.627 -11.259 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.670 12.969 -9.749 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.393 13.836 -11.089 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.906 11.602 -12.152 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.351 10.836 -10.677 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.081 13.937 -10.693 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.576 13.319 -9.983 1.00 0.00 H new ATOM 30 N VAL A 9 -4.864 10.583 -12.257 1.00 0.00 N ATOM 31 CA VAL A 9 -4.121 9.338 -12.115 1.00 0.00 C ATOM 32 C VAL A 9 -2.639 9.640 -11.923 1.00 0.00 C ATOM 33 O VAL A 9 -1.963 9.005 -11.114 1.00 0.00 O ATOM 34 CB VAL A 9 -4.318 8.405 -13.333 1.00 0.00 C ATOM 35 CG1 VAL A 9 -3.343 7.237 -13.293 1.00 0.00 C ATOM 36 CG2 VAL A 9 -5.749 7.890 -13.378 1.00 0.00 C ATOM 0 H VAL A 9 -5.354 10.687 -13.145 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.508 8.819 -11.238 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.119 8.983 -14.235 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.505 6.598 -14.161 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.321 7.616 -13.306 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.504 6.660 -12.383 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.873 7.235 -14.240 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.964 7.334 -12.466 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.436 8.732 -13.460 1.00 0.00 H new ATOM 46 N VAL A 10 -2.152 10.645 -12.644 1.00 0.00 N ATOM 47 CA VAL A 10 -0.775 11.097 -12.491 1.00 0.00 C ATOM 48 C VAL A 10 -0.583 11.695 -11.101 1.00 0.00 C ATOM 49 O VAL A 10 0.489 11.595 -10.508 1.00 0.00 O ATOM 50 CB VAL A 10 -0.404 12.153 -13.558 1.00 0.00 C ATOM 51 CG1 VAL A 10 1.054 12.569 -13.431 1.00 0.00 C ATOM 52 CG2 VAL A 10 -0.688 11.627 -14.959 1.00 0.00 C ATOM 0 H VAL A 10 -2.691 11.161 -13.339 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.122 10.234 -12.622 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.024 13.033 -13.387 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.288 13.312 -14.193 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.226 12.996 -12.443 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.694 11.697 -13.566 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.420 12.386 -15.694 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.100 10.727 -15.136 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.748 11.391 -15.051 1.00 0.00 H new ATOM 62 N ILE A 11 -1.647 12.296 -10.586 1.00 0.00 N ATOM 63 CA ILE A 11 -1.638 12.895 -9.258 1.00 0.00 C ATOM 64 C ILE A 11 -1.500 11.817 -8.181 1.00 0.00 C ATOM 65 O ILE A 11 -0.554 11.833 -7.390 1.00 0.00 O ATOM 66 CB ILE A 11 -2.922 13.747 -9.011 1.00 0.00 C ATOM 67 CG1 ILE A 11 -2.792 15.135 -9.662 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.204 13.899 -7.519 1.00 0.00 C ATOM 69 CD1 ILE A 11 -2.696 15.114 -11.172 1.00 0.00 C ATOM 0 H ILE A 11 -2.538 12.382 -11.075 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.776 13.560 -9.200 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.758 13.219 -9.470 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.652 15.739 -9.374 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.907 15.629 -9.261 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.104 14.497 -7.378 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.349 12.915 -7.074 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.360 14.394 -7.038 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.607 16.134 -11.545 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.820 14.540 -11.473 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.592 14.653 -11.587 1.00 0.00 H new ATOM 81 N PHE A 12 -2.427 10.866 -8.175 1.00 0.00 N ATOM 82 CA PHE A 12 -2.446 9.827 -7.153 1.00 0.00 C ATOM 83 C PHE A 12 -1.235 8.901 -7.263 1.00 0.00 C ATOM 84 O PHE A 12 -0.597 8.579 -6.257 1.00 0.00 O ATOM 85 CB PHE A 12 -3.736 9.010 -7.234 1.00 0.00 C ATOM 86 CG PHE A 12 -4.961 9.751 -6.777 1.00 0.00 C ATOM 87 CD1 PHE A 12 -5.285 9.810 -5.432 1.00 0.00 C ATOM 88 CD2 PHE A 12 -5.793 10.378 -7.691 1.00 0.00 C ATOM 89 CE1 PHE A 12 -6.412 10.484 -5.008 1.00 0.00 C ATOM 90 CE2 PHE A 12 -6.921 11.055 -7.271 1.00 0.00 C ATOM 91 CZ PHE A 12 -7.232 11.108 -5.927 1.00 0.00 C ATOM 0 H PHE A 12 -3.174 10.793 -8.865 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.401 10.327 -6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.884 8.686 -8.264 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.622 8.110 -6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.649 9.323 -4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.556 10.337 -8.744 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.653 10.523 -3.956 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.559 11.542 -7.993 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.114 11.636 -5.595 1.00 0.00 H new ATOM 101 N LYS A 13 -0.910 8.483 -8.485 1.00 0.00 N ATOM 102 CA LYS A 13 0.198 7.560 -8.692 1.00 0.00 C ATOM 103 C LYS A 13 1.513 8.199 -8.257 1.00 0.00 C ATOM 104 O LYS A 13 2.378 7.529 -7.695 1.00 0.00 O ATOM 105 CB LYS A 13 0.282 7.121 -10.158 1.00 0.00 C ATOM 106 CG LYS A 13 1.378 6.097 -10.419 1.00 0.00 C ATOM 107 CD LYS A 13 1.470 5.722 -11.890 1.00 0.00 C ATOM 108 CE LYS A 13 1.798 6.927 -12.758 1.00 0.00 C ATOM 109 NZ LYS A 13 1.975 6.553 -14.183 1.00 0.00 N ATOM 0 H LYS A 13 -1.394 8.767 -9.337 1.00 0.00 H new ATOM 0 HA LYS A 13 0.017 6.676 -8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.677 6.701 -10.460 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.457 7.997 -10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.335 6.498 -10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.185 5.202 -9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.236 4.958 -12.024 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.525 5.286 -12.214 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.999 7.664 -12.673 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.709 7.401 -12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.197 7.403 -14.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.754 5.870 -14.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.098 6.124 -14.541 1.00 0.00 H new ATOM 123 N GLN A 14 1.638 9.503 -8.492 1.00 0.00 N ATOM 124 CA GLN A 14 2.842 10.240 -8.128 1.00 0.00 C ATOM 125 C GLN A 14 3.059 10.190 -6.622 1.00 0.00 C ATOM 126 O GLN A 14 4.187 10.049 -6.156 1.00 0.00 O ATOM 127 CB GLN A 14 2.737 11.691 -8.590 1.00 0.00 C ATOM 128 CG GLN A 14 4.014 12.491 -8.409 1.00 0.00 C ATOM 129 CD GLN A 14 3.855 13.944 -8.814 1.00 0.00 C ATOM 130 OE1 GLN A 14 2.968 14.207 -9.766 1.00 0.00 O flip ATOM 131 NE2 GLN A 14 4.526 14.823 -8.277 1.00 0.00 N flip ATOM 0 H GLN A 14 0.916 10.072 -8.935 1.00 0.00 H new ATOM 0 HA GLN A 14 3.694 9.773 -8.623 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.457 11.707 -9.643 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.933 12.180 -8.039 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.325 12.441 -7.366 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.809 12.038 -9.001 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.197 14.579 -7.549 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.411 15.796 -8.560 1.00 0.00 H new ATOM 140 N ILE A 15 1.970 10.296 -5.868 1.00 0.00 N ATOM 141 CA ILE A 15 2.037 10.221 -4.414 1.00 0.00 C ATOM 142 C ILE A 15 2.687 8.911 -3.973 1.00 0.00 C ATOM 143 O ILE A 15 3.681 8.911 -3.246 1.00 0.00 O ATOM 144 CB ILE A 15 0.635 10.326 -3.777 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.059 11.620 -4.210 1.00 0.00 C ATOM 146 CG2 ILE A 15 0.744 10.262 -2.260 1.00 0.00 C ATOM 147 CD1 ILE A 15 -1.480 11.745 -3.702 1.00 0.00 C ATOM 0 H ILE A 15 1.030 10.434 -6.240 1.00 0.00 H new ATOM 0 HA ILE A 15 2.640 11.063 -4.076 1.00 0.00 H new ATOM 0 HB ILE A 15 0.033 9.485 -4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.522 12.471 -3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.065 11.672 -5.299 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.251 10.337 -1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.200 9.316 -1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.361 11.087 -1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.909 12.686 -4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.076 10.914 -4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.480 11.725 -2.612 1.00 0.00 H new ATOM 159 N PHE A 16 2.135 7.795 -4.444 1.00 0.00 N ATOM 160 CA PHE A 16 2.635 6.473 -4.073 1.00 0.00 C ATOM 161 C PHE A 16 4.039 6.230 -4.628 1.00 0.00 C ATOM 162 O PHE A 16 4.888 5.615 -3.969 1.00 0.00 O ATOM 163 CB PHE A 16 1.685 5.380 -4.571 1.00 0.00 C ATOM 164 CG PHE A 16 0.352 5.359 -3.868 1.00 0.00 C ATOM 165 CD1 PHE A 16 -0.696 6.154 -4.305 1.00 0.00 C ATOM 166 CD2 PHE A 16 0.153 4.542 -2.766 1.00 0.00 C ATOM 167 CE1 PHE A 16 -1.918 6.133 -3.657 1.00 0.00 C ATOM 168 CE2 PHE A 16 -1.066 4.517 -2.114 1.00 0.00 C ATOM 169 CZ PHE A 16 -2.102 5.315 -2.561 1.00 0.00 C ATOM 0 H PHE A 16 1.341 7.780 -5.084 1.00 0.00 H new ATOM 0 HA PHE A 16 2.686 6.436 -2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.519 5.517 -5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.166 4.410 -4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.557 6.797 -5.161 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.960 3.917 -2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.727 6.756 -4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.208 3.875 -1.257 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.055 5.298 -2.053 1.00 0.00 H new ATOM 179 N ASP A 17 4.272 6.709 -5.840 1.00 0.00 N ATOM 180 CA ASP A 17 5.543 6.498 -6.517 1.00 0.00 C ATOM 181 C ASP A 17 6.667 7.223 -5.797 1.00 0.00 C ATOM 182 O ASP A 17 7.722 6.646 -5.545 1.00 0.00 O ATOM 183 CB ASP A 17 5.468 6.964 -7.972 1.00 0.00 C ATOM 184 CG ASP A 17 6.730 6.642 -8.745 1.00 0.00 C ATOM 185 OD1 ASP A 17 7.190 5.481 -8.678 1.00 0.00 O ATOM 186 OD2 ASP A 17 7.262 7.533 -9.431 1.00 0.00 O ATOM 0 H ASP A 17 3.594 7.249 -6.378 1.00 0.00 H new ATOM 0 HA ASP A 17 5.753 5.429 -6.503 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.616 6.491 -8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.293 8.040 -7.998 1.00 0.00 H new ATOM 191 N LYS A 18 6.428 8.476 -5.437 1.00 0.00 N ATOM 192 CA LYS A 18 7.459 9.284 -4.807 1.00 0.00 C ATOM 193 C LYS A 18 7.673 8.882 -3.356 1.00 0.00 C ATOM 194 O LYS A 18 8.807 8.861 -2.878 1.00 0.00 O ATOM 195 CB LYS A 18 7.126 10.771 -4.894 1.00 0.00 C ATOM 196 CG LYS A 18 7.193 11.330 -6.305 1.00 0.00 C ATOM 197 CD LYS A 18 7.292 12.847 -6.292 1.00 0.00 C ATOM 198 CE LYS A 18 8.550 13.303 -5.569 1.00 0.00 C ATOM 199 NZ LYS A 18 8.662 14.781 -5.507 1.00 0.00 N ATOM 0 H LYS A 18 5.535 8.951 -5.570 1.00 0.00 H new ATOM 0 HA LYS A 18 8.385 9.103 -5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.125 10.934 -4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.816 11.327 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.055 10.911 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.307 11.026 -6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.299 13.224 -7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.414 13.269 -5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.551 12.898 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.425 12.896 -6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.535 15.042 -5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.688 15.168 -6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.842 15.170 -5.000 1.00 0.00 H new ATOM 213 N VAL A 19 6.592 8.540 -2.657 1.00 0.00 N ATOM 214 CA VAL A 19 6.695 8.173 -1.247 1.00 0.00 C ATOM 215 C VAL A 19 7.543 6.910 -1.077 1.00 0.00 C ATOM 216 O VAL A 19 8.103 6.670 -0.008 1.00 0.00 O ATOM 217 CB VAL A 19 5.309 7.982 -0.577 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.621 6.716 -1.064 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.441 7.976 0.939 1.00 0.00 C ATOM 0 H VAL A 19 5.646 8.509 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 19 7.185 9.006 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 19 4.684 8.827 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.653 6.616 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.476 6.773 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.240 5.851 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.458 7.841 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.095 7.159 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.865 8.924 1.271 1.00 0.00 H new ATOM 229 N ARG A 20 7.645 6.109 -2.145 1.00 0.00 N ATOM 230 CA ARG A 20 8.543 4.955 -2.146 1.00 0.00 C ATOM 231 C ARG A 20 9.981 5.362 -1.842 1.00 0.00 C ATOM 232 O ARG A 20 10.706 4.635 -1.162 1.00 0.00 O ATOM 233 CB ARG A 20 8.512 4.219 -3.487 1.00 0.00 C ATOM 234 CG ARG A 20 7.422 3.170 -3.581 1.00 0.00 C ATOM 235 CD ARG A 20 7.629 2.244 -4.771 1.00 0.00 C ATOM 236 NE ARG A 20 7.391 2.911 -6.047 1.00 0.00 N ATOM 237 CZ ARG A 20 6.645 2.391 -7.018 1.00 0.00 C ATOM 238 NH1 ARG A 20 6.153 1.175 -6.885 1.00 0.00 N ATOM 239 NH2 ARG A 20 6.412 3.072 -8.128 1.00 0.00 N ATOM 0 H ARG A 20 7.121 6.239 -3.010 1.00 0.00 H new ATOM 0 HA ARG A 20 8.185 4.288 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.374 4.946 -4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.478 3.742 -3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.403 2.583 -2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.452 3.660 -3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.647 1.856 -4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.960 1.388 -4.682 1.00 0.00 H new ATOM 0 HE ARG A 20 7.819 3.824 -6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.345 0.637 -6.040 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.581 0.772 -7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.806 4.006 -8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.839 2.664 -8.866 1.00 0.00 H new ATOM 253 N ASN A 21 10.385 6.522 -2.346 1.00 0.00 N ATOM 254 CA ASN A 21 11.770 6.967 -2.229 1.00 0.00 C ATOM 255 C ASN A 21 11.918 8.095 -1.213 1.00 0.00 C ATOM 256 O ASN A 21 12.861 8.102 -0.423 1.00 0.00 O ATOM 257 CB ASN A 21 12.295 7.423 -3.595 1.00 0.00 C ATOM 258 CG ASN A 21 12.462 6.269 -4.568 1.00 0.00 C ATOM 259 OD1 ASN A 21 11.520 5.872 -5.254 1.00 0.00 O ATOM 260 ND2 ASN A 21 13.673 5.736 -4.650 1.00 0.00 N ATOM 0 H ASN A 21 9.774 7.172 -2.840 1.00 0.00 H new ATOM 0 HA ASN A 21 12.359 6.121 -1.876 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.608 8.155 -4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.254 7.925 -3.463 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.850 4.969 -5.299 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.428 6.093 -4.064 1.00 0.00 H new ATOM 267 N ASP A 22 10.983 9.041 -1.230 1.00 0.00 N ATOM 268 CA ASP A 22 11.049 10.203 -0.342 1.00 0.00 C ATOM 269 C ASP A 22 10.850 9.809 1.114 1.00 0.00 C ATOM 270 O ASP A 22 11.413 10.440 2.013 1.00 0.00 O ATOM 271 CB ASP A 22 10.005 11.258 -0.723 1.00 0.00 C ATOM 272 CG ASP A 22 10.349 12.011 -1.992 1.00 0.00 C ATOM 273 OD1 ASP A 22 11.290 12.830 -1.968 1.00 0.00 O ATOM 274 OD2 ASP A 22 9.658 11.818 -3.011 1.00 0.00 O ATOM 0 H ASP A 22 10.171 9.028 -1.847 1.00 0.00 H new ATOM 0 HA ASP A 22 12.046 10.627 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.037 10.773 -0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.902 11.969 0.096 1.00 0.00 H new ATOM 279 N LEU A 23 10.039 8.771 1.338 1.00 0.00 N ATOM 280 CA LEU A 23 9.712 8.311 2.688 1.00 0.00 C ATOM 281 C LEU A 23 9.005 9.406 3.482 1.00 0.00 C ATOM 282 O LEU A 23 9.077 9.447 4.711 1.00 0.00 O ATOM 283 CB LEU A 23 10.975 7.848 3.428 1.00 0.00 C ATOM 284 CG LEU A 23 11.537 6.507 2.957 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.857 6.206 3.645 1.00 0.00 C ATOM 286 CD2 LEU A 23 10.537 5.399 3.232 1.00 0.00 C ATOM 0 H LEU A 23 9.595 8.231 0.595 1.00 0.00 H new ATOM 0 HA LEU A 23 9.034 7.462 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.746 8.610 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.751 7.779 4.492 1.00 0.00 H new ATOM 0 HG LEU A 23 11.716 6.565 1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.239 5.247 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.576 6.991 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.704 6.164 4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.946 4.447 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.336 5.347 4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.609 5.606 2.699 1.00 0.00 H new ATOM 298 N ASN A 24 8.296 10.272 2.773 1.00 0.00 N ATOM 299 CA ASN A 24 7.588 11.373 3.403 1.00 0.00 C ATOM 300 C ASN A 24 6.159 10.962 3.760 1.00 0.00 C ATOM 301 O ASN A 24 5.199 11.288 3.062 1.00 0.00 O ATOM 302 CB ASN A 24 7.597 12.621 2.503 1.00 0.00 C ATOM 303 CG ASN A 24 6.981 12.395 1.128 1.00 0.00 C ATOM 304 OD1 ASN A 24 7.021 11.293 0.578 1.00 0.00 O ATOM 305 ND2 ASN A 24 6.421 13.449 0.558 1.00 0.00 N ATOM 0 H ASN A 24 8.197 10.232 1.759 1.00 0.00 H new ATOM 0 HA ASN A 24 8.107 11.627 4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.056 13.423 3.005 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.626 12.960 2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.003 13.366 -0.369 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.407 14.345 1.045 1.00 0.00 H new ATOM 312 N TYR A 25 6.032 10.235 4.865 1.00 0.00 N ATOM 313 CA TYR A 25 4.738 9.732 5.308 1.00 0.00 C ATOM 314 C TYR A 25 3.807 10.875 5.683 1.00 0.00 C ATOM 315 O TYR A 25 2.592 10.774 5.523 1.00 0.00 O ATOM 316 CB TYR A 25 4.909 8.786 6.497 1.00 0.00 C ATOM 317 CG TYR A 25 5.620 7.495 6.151 1.00 0.00 C ATOM 318 CD1 TYR A 25 4.905 6.402 5.677 1.00 0.00 C ATOM 319 CD2 TYR A 25 6.996 7.367 6.297 1.00 0.00 C ATOM 320 CE1 TYR A 25 5.540 5.219 5.359 1.00 0.00 C ATOM 321 CE2 TYR A 25 7.639 6.184 5.979 1.00 0.00 C ATOM 322 CZ TYR A 25 6.906 5.115 5.512 1.00 0.00 C ATOM 323 OH TYR A 25 7.543 3.935 5.199 1.00 0.00 O ATOM 0 H TYR A 25 6.812 9.981 5.471 1.00 0.00 H new ATOM 0 HA TYR A 25 4.292 9.182 4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.467 9.299 7.281 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.927 8.551 6.907 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.835 6.480 5.555 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.572 8.203 6.664 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.970 4.379 4.992 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.709 6.099 6.096 1.00 0.00 H new ATOM 0 HH TYR A 25 7.283 3.652 4.298 1.00 0.00 H new ATOM 333 N GLN A 26 4.391 11.963 6.174 1.00 0.00 N ATOM 334 CA GLN A 26 3.630 13.151 6.540 1.00 0.00 C ATOM 335 C GLN A 26 2.782 13.631 5.361 1.00 0.00 C ATOM 336 O GLN A 26 1.561 13.742 5.468 1.00 0.00 O ATOM 337 CB GLN A 26 4.581 14.264 7.003 1.00 0.00 C ATOM 338 CG GLN A 26 3.888 15.578 7.334 1.00 0.00 C ATOM 339 CD GLN A 26 2.849 15.443 8.431 1.00 0.00 C ATOM 340 OE1 GLN A 26 2.972 14.604 9.328 1.00 0.00 O ATOM 341 NE2 GLN A 26 1.813 16.268 8.366 1.00 0.00 N ATOM 0 H GLN A 26 5.396 12.046 6.328 1.00 0.00 H new ATOM 0 HA GLN A 26 2.961 12.896 7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.123 13.920 7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.321 14.443 6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.636 16.310 7.639 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.410 15.966 6.435 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.749 16.947 7.608 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.080 16.223 9.074 1.00 0.00 H new ATOM 350 N TRP A 27 3.436 13.882 4.236 1.00 0.00 N ATOM 351 CA TRP A 27 2.754 14.353 3.035 1.00 0.00 C ATOM 352 C TRP A 27 1.851 13.260 2.468 1.00 0.00 C ATOM 353 O TRP A 27 0.741 13.531 2.007 1.00 0.00 O ATOM 354 CB TRP A 27 3.789 14.792 1.992 1.00 0.00 C ATOM 355 CG TRP A 27 3.194 15.360 0.736 1.00 0.00 C ATOM 356 CD1 TRP A 27 2.674 16.611 0.567 1.00 0.00 C ATOM 357 CD2 TRP A 27 3.077 14.702 -0.531 1.00 0.00 C ATOM 358 NE1 TRP A 27 2.238 16.770 -0.725 1.00 0.00 N ATOM 359 CE2 TRP A 27 2.473 15.614 -1.418 1.00 0.00 C ATOM 360 CE3 TRP A 27 3.420 13.432 -1.000 1.00 0.00 C ATOM 361 CZ2 TRP A 27 2.209 15.294 -2.747 1.00 0.00 C ATOM 362 CZ3 TRP A 27 3.160 13.118 -2.320 1.00 0.00 C ATOM 363 CH2 TRP A 27 2.558 14.045 -3.181 1.00 0.00 C ATOM 0 H TRP A 27 4.444 13.767 4.128 1.00 0.00 H new ATOM 0 HA TRP A 27 2.129 15.207 3.294 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.445 15.538 2.440 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.411 13.936 1.731 1.00 0.00 H new ATOM 0 HD1 TRP A 27 2.614 17.366 1.337 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.809 17.613 -1.106 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.880 12.709 -0.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.745 16.007 -3.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.426 12.141 -2.695 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.366 13.768 -4.207 1.00 0.00 H new ATOM 374 N PHE A 28 2.334 12.023 2.534 1.00 0.00 N ATOM 375 CA PHE A 28 1.599 10.866 2.035 1.00 0.00 C ATOM 376 C PHE A 28 0.210 10.777 2.670 1.00 0.00 C ATOM 377 O PHE A 28 -0.801 10.759 1.965 1.00 0.00 O ATOM 378 CB PHE A 28 2.402 9.591 2.319 1.00 0.00 C ATOM 379 CG PHE A 28 1.739 8.319 1.861 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.494 8.090 0.515 1.00 0.00 C ATOM 381 CD2 PHE A 28 1.371 7.348 2.779 1.00 0.00 C ATOM 382 CE1 PHE A 28 0.893 6.919 0.096 1.00 0.00 C ATOM 383 CE2 PHE A 28 0.771 6.175 2.364 1.00 0.00 C ATOM 384 CZ PHE A 28 0.532 5.960 1.023 1.00 0.00 C ATOM 0 H PHE A 28 3.244 11.795 2.934 1.00 0.00 H new ATOM 0 HA PHE A 28 1.462 10.976 0.959 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.374 9.674 1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.586 9.524 3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.776 8.836 -0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.555 7.510 3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.706 6.753 -0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.489 5.426 3.090 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.063 5.043 0.698 1.00 0.00 H new ATOM 394 N TYR A 29 0.163 10.746 3.997 1.00 0.00 N ATOM 395 CA TYR A 29 -1.104 10.611 4.712 1.00 0.00 C ATOM 396 C TYR A 29 -1.950 11.878 4.601 1.00 0.00 C ATOM 397 O TYR A 29 -3.181 11.811 4.632 1.00 0.00 O ATOM 398 CB TYR A 29 -0.862 10.256 6.185 1.00 0.00 C ATOM 399 CG TYR A 29 -0.337 8.850 6.388 1.00 0.00 C ATOM 400 CD1 TYR A 29 -1.116 7.746 6.060 1.00 0.00 C ATOM 401 CD2 TYR A 29 0.932 8.626 6.903 1.00 0.00 C ATOM 402 CE1 TYR A 29 -0.643 6.460 6.240 1.00 0.00 C ATOM 403 CE2 TYR A 29 1.411 7.342 7.087 1.00 0.00 C ATOM 404 CZ TYR A 29 0.620 6.262 6.754 1.00 0.00 C ATOM 405 OH TYR A 29 1.095 4.982 6.939 1.00 0.00 O ATOM 0 H TYR A 29 0.984 10.812 4.599 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.659 9.798 4.243 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.152 10.966 6.610 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.795 10.370 6.736 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.107 7.896 5.658 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.556 9.468 7.164 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.261 5.614 5.979 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.401 7.185 7.490 1.00 0.00 H new ATOM 0 HH TYR A 29 2.002 5.020 7.308 1.00 0.00 H new ATOM 415 N SER A 30 -1.295 13.024 4.461 1.00 0.00 N ATOM 416 CA SER A 30 -2.006 14.288 4.300 1.00 0.00 C ATOM 417 C SER A 30 -2.850 14.268 3.028 1.00 0.00 C ATOM 418 O SER A 30 -4.053 14.539 3.065 1.00 0.00 O ATOM 419 CB SER A 30 -1.022 15.463 4.261 1.00 0.00 C ATOM 420 OG SER A 30 -0.319 15.586 5.485 1.00 0.00 O ATOM 0 H SER A 30 -0.278 13.105 4.456 1.00 0.00 H new ATOM 0 HA SER A 30 -2.666 14.417 5.157 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.314 15.320 3.445 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.563 16.387 4.055 1.00 0.00 H new ATOM 0 HG SER A 30 0.403 14.924 5.515 1.00 0.00 H new ATOM 426 N GLU A 31 -2.223 13.919 1.908 1.00 0.00 N ATOM 427 CA GLU A 31 -2.925 13.869 0.634 1.00 0.00 C ATOM 428 C GLU A 31 -3.938 12.732 0.609 1.00 0.00 C ATOM 429 O GLU A 31 -4.975 12.829 -0.052 1.00 0.00 O ATOM 430 CB GLU A 31 -1.948 13.734 -0.532 1.00 0.00 C ATOM 431 CG GLU A 31 -1.220 15.027 -0.852 1.00 0.00 C ATOM 432 CD GLU A 31 -2.179 16.176 -1.099 1.00 0.00 C ATOM 433 OE1 GLU A 31 -2.889 16.158 -2.130 1.00 0.00 O ATOM 434 OE2 GLU A 31 -2.236 17.100 -0.259 1.00 0.00 O ATOM 0 H GLU A 31 -1.236 13.668 1.859 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.462 14.811 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.216 12.961 -0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.491 13.401 -1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.555 15.282 -0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.594 14.882 -1.733 1.00 0.00 H new ATOM 441 N LEU A 32 -3.649 11.657 1.330 1.00 0.00 N ATOM 442 CA LEU A 32 -4.600 10.562 1.444 1.00 0.00 C ATOM 443 C LEU A 32 -5.907 11.060 2.039 1.00 0.00 C ATOM 444 O LEU A 32 -6.946 10.967 1.405 1.00 0.00 O ATOM 445 CB LEU A 32 -4.049 9.415 2.291 1.00 0.00 C ATOM 446 CG LEU A 32 -2.921 8.611 1.649 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.489 7.483 2.571 1.00 0.00 C ATOM 448 CD2 LEU A 32 -3.361 8.060 0.301 1.00 0.00 C ATOM 0 H LEU A 32 -2.775 11.521 1.838 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.779 10.180 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.689 9.823 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.867 8.735 2.528 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.070 9.272 1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.684 6.917 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.137 7.899 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.335 6.822 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.545 7.490 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.225 7.410 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.628 8.885 -0.360 1.00 0.00 H new ATOM 460 N LYS A 33 -5.842 11.634 3.235 1.00 0.00 N ATOM 461 CA LYS A 33 -7.038 12.120 3.918 1.00 0.00 C ATOM 462 C LYS A 33 -7.773 13.173 3.081 1.00 0.00 C ATOM 463 O LYS A 33 -9.006 13.240 3.100 1.00 0.00 O ATOM 464 CB LYS A 33 -6.672 12.686 5.301 1.00 0.00 C ATOM 465 CG LYS A 33 -7.873 13.153 6.115 1.00 0.00 C ATOM 466 CD LYS A 33 -8.187 14.625 5.873 1.00 0.00 C ATOM 467 CE LYS A 33 -9.631 14.952 6.224 1.00 0.00 C ATOM 468 NZ LYS A 33 -10.590 14.333 5.267 1.00 0.00 N ATOM 0 H LYS A 33 -4.975 11.775 3.753 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.713 11.275 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.138 11.922 5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.986 13.523 5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.743 12.549 5.857 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.677 12.993 7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.517 15.244 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.001 14.871 4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.848 14.601 7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.768 16.033 6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.250 15.058 4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.067 13.928 4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.124 13.581 5.748 1.00 0.00 H new ATOM 482 N ARG A 34 -7.024 13.992 2.349 1.00 0.00 N ATOM 483 CA ARG A 34 -7.626 15.048 1.536 1.00 0.00 C ATOM 484 C ARG A 34 -8.458 14.473 0.392 1.00 0.00 C ATOM 485 O ARG A 34 -9.557 14.955 0.110 1.00 0.00 O ATOM 486 CB ARG A 34 -6.560 15.979 0.956 1.00 0.00 C ATOM 487 CG ARG A 34 -5.851 16.836 1.987 1.00 0.00 C ATOM 488 CD ARG A 34 -4.891 17.812 1.323 1.00 0.00 C ATOM 489 NE ARG A 34 -5.591 18.779 0.472 1.00 0.00 N ATOM 490 CZ ARG A 34 -5.024 19.427 -0.546 1.00 0.00 C ATOM 491 NH1 ARG A 34 -3.789 19.133 -0.926 1.00 0.00 N ATOM 492 NH2 ARG A 34 -5.716 20.343 -1.213 1.00 0.00 N ATOM 0 H ARG A 34 -6.006 13.947 2.301 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.279 15.616 2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.819 15.379 0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.027 16.631 0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.586 17.387 2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.303 16.198 2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.328 18.345 2.089 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.168 17.258 0.724 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.573 18.968 0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.265 18.406 -0.439 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.363 19.633 -1.706 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.679 20.549 -0.946 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.285 20.840 -1.992 1.00 0.00 H new ATOM 506 N HIS A 35 -7.939 13.435 -0.249 1.00 0.00 N ATOM 507 CA HIS A 35 -8.553 12.901 -1.458 1.00 0.00 C ATOM 508 C HIS A 35 -9.300 11.611 -1.144 1.00 0.00 C ATOM 509 O HIS A 35 -10.515 11.516 -1.333 1.00 0.00 O ATOM 510 CB HIS A 35 -7.494 12.630 -2.539 1.00 0.00 C ATOM 511 CG HIS A 35 -6.666 13.823 -2.933 1.00 0.00 C ATOM 512 ND1 HIS A 35 -6.721 14.402 -4.182 1.00 0.00 N ATOM 513 CD2 HIS A 35 -5.723 14.511 -2.247 1.00 0.00 C ATOM 514 CE1 HIS A 35 -5.843 15.391 -4.244 1.00 0.00 C ATOM 515 NE2 HIS A 35 -5.226 15.476 -3.081 1.00 0.00 N ATOM 0 H HIS A 35 -7.095 12.946 0.047 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.255 13.645 -1.835 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.826 11.845 -2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.994 12.245 -3.427 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.418 14.331 -1.227 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.662 16.022 -5.102 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.498 16.150 -2.843 1.00 0.00 H new ATOM 524 N ASN A 36 -8.563 10.641 -0.631 1.00 0.00 N ATOM 525 CA ASN A 36 -9.096 9.321 -0.329 1.00 0.00 C ATOM 526 C ASN A 36 -9.477 9.219 1.143 1.00 0.00 C ATOM 527 O ASN A 36 -8.684 8.784 1.978 1.00 0.00 O ATOM 528 CB ASN A 36 -8.060 8.248 -0.677 1.00 0.00 C ATOM 529 CG ASN A 36 -8.527 6.845 -0.346 1.00 0.00 C ATOM 530 OD1 ASN A 36 -9.718 6.541 -0.388 1.00 0.00 O ATOM 531 ND2 ASN A 36 -7.580 5.979 -0.015 1.00 0.00 N ATOM 0 H ASN A 36 -7.573 10.746 -0.411 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.992 9.163 -0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.828 8.306 -1.740 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.136 8.454 -0.137 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.827 5.017 0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.604 6.274 0.007 1.00 0.00 H new ATOM 538 N VAL A 37 -10.682 9.657 1.457 1.00 0.00 N ATOM 539 CA VAL A 37 -11.178 9.612 2.827 1.00 0.00 C ATOM 540 C VAL A 37 -11.658 8.201 3.184 1.00 0.00 C ATOM 541 O VAL A 37 -11.793 7.856 4.361 1.00 0.00 O ATOM 542 CB VAL A 37 -12.339 10.616 3.030 1.00 0.00 C ATOM 543 CG1 VAL A 37 -12.710 10.738 4.501 1.00 0.00 C ATOM 544 CG2 VAL A 37 -11.977 11.977 2.457 1.00 0.00 C ATOM 0 H VAL A 37 -11.339 10.049 0.783 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.353 9.887 3.484 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.208 10.234 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.528 11.450 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.022 9.765 4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.846 11.087 5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.806 12.668 2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.089 12.359 2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.777 11.881 1.390 1.00 0.00 H new ATOM 554 N SER A 38 -11.895 7.382 2.169 1.00 0.00 N ATOM 555 CA SER A 38 -12.440 6.052 2.385 1.00 0.00 C ATOM 556 C SER A 38 -11.330 5.003 2.503 1.00 0.00 C ATOM 557 O SER A 38 -10.910 4.663 3.614 1.00 0.00 O ATOM 558 CB SER A 38 -13.406 5.692 1.257 1.00 0.00 C ATOM 559 OG SER A 38 -14.361 6.722 1.067 1.00 0.00 O ATOM 0 H SER A 38 -11.719 7.615 1.192 1.00 0.00 H new ATOM 0 HA SER A 38 -12.985 6.058 3.329 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.850 5.530 0.333 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.914 4.757 1.492 1.00 0.00 H new ATOM 0 HG SER A 38 -14.969 6.474 0.340 1.00 0.00 H new ATOM 565 N HIS A 39 -10.839 4.505 1.365 1.00 0.00 N ATOM 566 CA HIS A 39 -9.846 3.432 1.361 1.00 0.00 C ATOM 567 C HIS A 39 -9.378 3.106 -0.055 1.00 0.00 C ATOM 568 O HIS A 39 -10.104 3.327 -1.022 1.00 0.00 O ATOM 569 CB HIS A 39 -10.411 2.165 2.023 1.00 0.00 C ATOM 570 CG HIS A 39 -11.680 1.642 1.418 1.00 0.00 C ATOM 571 ND1 HIS A 39 -12.896 1.716 2.056 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.916 1.009 0.244 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.822 1.154 1.303 1.00 0.00 C ATOM 574 NE2 HIS A 39 -13.254 0.714 0.197 1.00 0.00 N ATOM 0 H HIS A 39 -11.113 4.828 0.437 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.988 3.784 1.934 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.655 1.381 1.976 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.589 2.374 3.078 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.184 0.779 -0.516 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.870 1.069 1.551 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.731 0.234 -0.566 1.00 0.00 H new ATOM 583 N TYR A 40 -8.168 2.567 -0.170 1.00 0.00 N ATOM 584 CA TYR A 40 -7.630 2.178 -1.470 1.00 0.00 C ATOM 585 C TYR A 40 -7.208 0.709 -1.458 1.00 0.00 C ATOM 586 O TYR A 40 -6.663 0.218 -0.466 1.00 0.00 O ATOM 587 CB TYR A 40 -6.448 3.076 -1.874 1.00 0.00 C ATOM 588 CG TYR A 40 -5.202 2.934 -1.017 1.00 0.00 C ATOM 589 CD1 TYR A 40 -5.041 3.685 0.140 1.00 0.00 C ATOM 590 CD2 TYR A 40 -4.177 2.064 -1.381 1.00 0.00 C ATOM 591 CE1 TYR A 40 -3.901 3.570 0.911 1.00 0.00 C ATOM 592 CE2 TYR A 40 -3.033 1.946 -0.613 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.902 2.702 0.530 1.00 0.00 C ATOM 594 OH TYR A 40 -1.766 2.593 1.298 1.00 0.00 O ATOM 0 H TYR A 40 -7.544 2.390 0.617 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.418 2.307 -2.212 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.184 2.857 -2.909 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.775 4.115 -1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.820 4.370 0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.277 1.471 -2.278 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.793 4.159 1.810 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.248 1.266 -0.908 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.421 1.678 1.243 1.00 0.00 H new ATOM 604 N ILE A 41 -7.498 0.015 -2.551 1.00 0.00 N ATOM 605 CA ILE A 41 -7.099 -1.375 -2.712 1.00 0.00 C ATOM 606 C ILE A 41 -5.934 -1.462 -3.693 1.00 0.00 C ATOM 607 O ILE A 41 -6.117 -1.372 -4.906 1.00 0.00 O ATOM 608 CB ILE A 41 -8.258 -2.277 -3.212 1.00 0.00 C ATOM 609 CG1 ILE A 41 -9.458 -2.229 -2.254 1.00 0.00 C ATOM 610 CG2 ILE A 41 -7.778 -3.714 -3.376 1.00 0.00 C ATOM 611 CD1 ILE A 41 -10.359 -1.022 -2.443 1.00 0.00 C ATOM 0 H ILE A 41 -8.012 0.397 -3.345 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.803 -1.740 -1.728 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.582 -1.895 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.050 -3.134 -2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.090 -2.236 -1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.602 -4.335 -3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.965 -3.746 -4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.423 -4.091 -2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.180 -1.066 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.784 -0.110 -2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.760 -1.022 -3.457 1.00 0.00 H new ATOM 623 N TYR A 42 -4.744 -1.618 -3.153 1.00 0.00 N ATOM 624 CA TYR A 42 -3.522 -1.618 -3.937 1.00 0.00 C ATOM 625 C TYR A 42 -3.101 -3.040 -4.287 1.00 0.00 C ATOM 626 O TYR A 42 -2.672 -3.805 -3.426 1.00 0.00 O ATOM 627 CB TYR A 42 -2.433 -0.887 -3.138 1.00 0.00 C ATOM 628 CG TYR A 42 -1.010 -1.036 -3.642 1.00 0.00 C ATOM 629 CD1 TYR A 42 -0.708 -1.121 -4.997 1.00 0.00 C ATOM 630 CD2 TYR A 42 0.040 -1.074 -2.738 1.00 0.00 C ATOM 631 CE1 TYR A 42 0.602 -1.248 -5.428 1.00 0.00 C ATOM 632 CE2 TYR A 42 1.345 -1.197 -3.159 1.00 0.00 C ATOM 633 CZ TYR A 42 1.624 -1.285 -4.504 1.00 0.00 C ATOM 634 OH TYR A 42 2.931 -1.410 -4.921 1.00 0.00 O ATOM 0 H TYR A 42 -4.594 -1.749 -2.153 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.685 -1.098 -4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.679 0.175 -3.118 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.469 -1.242 -2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.506 -1.087 -5.723 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.170 -1.006 -1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.822 -1.318 -6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.147 -1.224 -2.436 1.00 0.00 H new ATOM 0 HH TYR A 42 2.985 -1.238 -5.884 1.00 0.00 H new ATOM 644 N TYR A 43 -3.261 -3.397 -5.551 1.00 0.00 N ATOM 645 CA TYR A 43 -2.787 -4.679 -6.044 1.00 0.00 C ATOM 646 C TYR A 43 -1.343 -4.546 -6.498 1.00 0.00 C ATOM 647 O TYR A 43 -1.028 -3.695 -7.327 1.00 0.00 O ATOM 648 CB TYR A 43 -3.658 -5.181 -7.198 1.00 0.00 C ATOM 649 CG TYR A 43 -5.071 -5.523 -6.787 1.00 0.00 C ATOM 650 CD1 TYR A 43 -5.332 -6.647 -6.015 1.00 0.00 C ATOM 651 CD2 TYR A 43 -6.143 -4.729 -7.174 1.00 0.00 C ATOM 652 CE1 TYR A 43 -6.621 -6.970 -5.638 1.00 0.00 C ATOM 653 CE2 TYR A 43 -7.436 -5.045 -6.801 1.00 0.00 C ATOM 654 CZ TYR A 43 -7.669 -6.167 -6.034 1.00 0.00 C ATOM 655 OH TYR A 43 -8.952 -6.485 -5.658 1.00 0.00 O ATOM 0 H TYR A 43 -3.716 -2.816 -6.255 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.849 -5.407 -5.235 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.690 -4.418 -7.976 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.192 -6.064 -7.636 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.514 -7.279 -5.704 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.963 -3.851 -7.776 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.807 -7.847 -5.036 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -8.259 -4.417 -7.109 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.573 -5.818 -6.018 1.00 0.00 H new ATOM 665 N LEU A 44 -0.472 -5.379 -5.950 1.00 0.00 N ATOM 666 CA LEU A 44 0.951 -5.293 -6.244 1.00 0.00 C ATOM 667 C LEU A 44 1.267 -5.894 -7.611 1.00 0.00 C ATOM 668 O LEU A 44 0.360 -6.268 -8.356 1.00 0.00 O ATOM 669 CB LEU A 44 1.783 -5.990 -5.156 1.00 0.00 C ATOM 670 CG LEU A 44 1.904 -5.236 -3.823 1.00 0.00 C ATOM 671 CD1 LEU A 44 0.634 -5.347 -2.994 1.00 0.00 C ATOM 672 CD2 LEU A 44 3.096 -5.746 -3.035 1.00 0.00 C ATOM 0 H LEU A 44 -0.725 -6.123 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 44 1.218 -4.236 -6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.344 -6.968 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.786 -6.163 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 44 2.054 -4.181 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.761 -4.800 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.202 -4.925 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.432 -6.396 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.169 -5.202 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.970 -6.809 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.007 -5.593 -3.614 1.00 0.00 H new ATOM 684 N ALA A 45 2.563 -5.965 -7.931 1.00 0.00 N ATOM 685 CA ALA A 45 3.051 -6.478 -9.217 1.00 0.00 C ATOM 686 C ALA A 45 2.749 -5.512 -10.355 1.00 0.00 C ATOM 687 O ALA A 45 3.663 -4.933 -10.935 1.00 0.00 O ATOM 688 CB ALA A 45 2.494 -7.864 -9.525 1.00 0.00 C ATOM 0 H ALA A 45 3.308 -5.667 -7.302 1.00 0.00 H new ATOM 0 HA ALA A 45 4.134 -6.569 -9.129 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.880 -8.206 -10.485 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.797 -8.560 -8.743 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.406 -7.818 -9.567 1.00 0.00 H new ATOM 694 N THR A 46 1.473 -5.336 -10.668 1.00 0.00 N ATOM 695 CA THR A 46 1.065 -4.424 -11.728 1.00 0.00 C ATOM 696 C THR A 46 0.839 -3.031 -11.157 1.00 0.00 C ATOM 697 O THR A 46 0.829 -2.034 -11.885 1.00 0.00 O ATOM 698 CB THR A 46 -0.222 -4.916 -12.416 1.00 0.00 C ATOM 699 OG1 THR A 46 -1.228 -5.188 -11.431 1.00 0.00 O ATOM 700 CG2 THR A 46 0.046 -6.170 -13.237 1.00 0.00 C ATOM 0 H THR A 46 0.701 -5.813 -10.202 1.00 0.00 H new ATOM 0 HA THR A 46 1.862 -4.389 -12.471 1.00 0.00 H new ATOM 0 HB THR A 46 -0.572 -4.132 -13.088 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.907 -5.782 -11.813 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.878 -6.498 -13.713 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.791 -5.951 -14.002 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.418 -6.960 -12.584 1.00 0.00 H new ATOM 708 N GLU A 47 0.669 -2.994 -9.838 1.00 0.00 N ATOM 709 CA GLU A 47 0.412 -1.763 -9.098 1.00 0.00 C ATOM 710 C GLU A 47 -0.929 -1.169 -9.496 1.00 0.00 C ATOM 711 O GLU A 47 -1.029 0.013 -9.828 1.00 0.00 O ATOM 712 CB GLU A 47 1.540 -0.746 -9.293 1.00 0.00 C ATOM 713 CG GLU A 47 2.903 -1.277 -8.894 1.00 0.00 C ATOM 714 CD GLU A 47 3.764 -0.226 -8.235 1.00 0.00 C ATOM 715 OE1 GLU A 47 3.655 -0.064 -7.001 1.00 0.00 O ATOM 716 OE2 GLU A 47 4.563 0.433 -8.935 1.00 0.00 O ATOM 0 H GLU A 47 0.706 -3.825 -9.248 1.00 0.00 H new ATOM 0 HA GLU A 47 0.376 -2.013 -8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.568 -0.442 -10.339 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.320 0.147 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.776 -2.118 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.414 -1.658 -9.778 1.00 0.00 H new ATOM 723 N ASN A 48 -1.956 -2.010 -9.458 1.00 0.00 N ATOM 724 CA ASN A 48 -3.316 -1.573 -9.732 1.00 0.00 C ATOM 725 C ASN A 48 -3.972 -1.099 -8.444 1.00 0.00 C ATOM 726 O ASN A 48 -4.493 -1.896 -7.664 1.00 0.00 O ATOM 727 CB ASN A 48 -4.152 -2.691 -10.365 1.00 0.00 C ATOM 728 CG ASN A 48 -3.766 -2.969 -11.804 1.00 0.00 C ATOM 729 OD1 ASN A 48 -3.282 -2.088 -12.516 1.00 0.00 O ATOM 730 ND2 ASN A 48 -3.989 -4.196 -12.253 1.00 0.00 N ATOM 0 H ASN A 48 -1.870 -3.002 -9.239 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.268 -0.750 -10.445 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.034 -3.603 -9.779 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.207 -2.419 -10.322 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.758 -4.436 -13.217 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.391 -4.900 -11.634 1.00 0.00 H new ATOM 737 N VAL A 49 -3.924 0.201 -8.220 1.00 0.00 N ATOM 738 CA VAL A 49 -4.445 0.790 -6.996 1.00 0.00 C ATOM 739 C VAL A 49 -5.880 1.258 -7.199 1.00 0.00 C ATOM 740 O VAL A 49 -6.129 2.241 -7.887 1.00 0.00 O ATOM 741 CB VAL A 49 -3.586 1.986 -6.530 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.984 2.417 -5.126 1.00 0.00 C ATOM 743 CG2 VAL A 49 -2.102 1.653 -6.593 1.00 0.00 C ATOM 0 H VAL A 49 -3.527 0.875 -8.874 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.413 0.017 -6.228 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.770 2.818 -7.209 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.367 3.261 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.033 2.713 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.837 1.587 -4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.522 2.513 -6.259 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.893 0.801 -5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.828 1.406 -7.619 1.00 0.00 H new ATOM 753 N HIS A 50 -6.823 0.538 -6.615 1.00 0.00 N ATOM 754 CA HIS A 50 -8.230 0.908 -6.697 1.00 0.00 C ATOM 755 C HIS A 50 -8.600 1.816 -5.531 1.00 0.00 C ATOM 756 O HIS A 50 -8.890 1.342 -4.434 1.00 0.00 O ATOM 757 CB HIS A 50 -9.128 -0.336 -6.689 1.00 0.00 C ATOM 758 CG HIS A 50 -9.152 -1.090 -7.985 1.00 0.00 C ATOM 759 ND1 HIS A 50 -10.322 -1.458 -8.612 1.00 0.00 N ATOM 760 CD2 HIS A 50 -8.149 -1.562 -8.764 1.00 0.00 C ATOM 761 CE1 HIS A 50 -10.040 -2.122 -9.716 1.00 0.00 C ATOM 762 NE2 HIS A 50 -8.730 -2.198 -9.832 1.00 0.00 N ATOM 0 H HIS A 50 -6.641 -0.309 -6.077 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.386 1.440 -7.635 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.792 -1.007 -5.898 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.145 -0.034 -6.440 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -7.090 -1.457 -8.579 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -10.760 -2.533 -10.407 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.228 -2.656 -10.593 1.00 0.00 H new ATOM 771 N ILE A 51 -8.562 3.115 -5.764 1.00 0.00 N ATOM 772 CA ILE A 51 -8.848 4.083 -4.717 1.00 0.00 C ATOM 773 C ILE A 51 -10.320 4.472 -4.710 1.00 0.00 C ATOM 774 O ILE A 51 -10.777 5.210 -5.579 1.00 0.00 O ATOM 775 CB ILE A 51 -7.997 5.348 -4.902 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.517 4.978 -4.970 1.00 0.00 C ATOM 777 CG2 ILE A 51 -8.252 6.333 -3.770 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.624 6.140 -5.321 1.00 0.00 C ATOM 0 H ILE A 51 -8.336 3.526 -6.670 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.602 3.612 -3.765 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.280 5.827 -5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.208 4.570 -4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.381 4.189 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.641 7.223 -3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.305 6.613 -3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.993 5.869 -2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.587 5.806 -5.352 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.907 6.535 -6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.731 6.921 -4.569 1.00 0.00 H new ATOM 790 N VAL A 52 -11.056 3.976 -3.734 1.00 0.00 N ATOM 791 CA VAL A 52 -12.463 4.306 -3.610 1.00 0.00 C ATOM 792 C VAL A 52 -12.619 5.600 -2.825 1.00 0.00 C ATOM 793 O VAL A 52 -12.342 5.646 -1.628 1.00 0.00 O ATOM 794 CB VAL A 52 -13.260 3.181 -2.915 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.744 3.513 -2.882 1.00 0.00 C ATOM 796 CG2 VAL A 52 -13.021 1.846 -3.606 1.00 0.00 C ATOM 0 H VAL A 52 -10.703 3.343 -3.016 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.864 4.427 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.908 3.100 -1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -15.286 2.707 -2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.897 4.442 -2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -15.114 3.628 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.592 1.067 -3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.340 1.912 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.960 1.601 -3.567 1.00 0.00 H new ATOM 806 N LEU A 53 -13.041 6.649 -3.513 1.00 0.00 N ATOM 807 CA LEU A 53 -13.193 7.958 -2.895 1.00 0.00 C ATOM 808 C LEU A 53 -14.452 8.012 -2.043 1.00 0.00 C ATOM 809 O LEU A 53 -15.295 7.114 -2.096 1.00 0.00 O ATOM 810 CB LEU A 53 -13.262 9.055 -3.964 1.00 0.00 C ATOM 811 CG LEU A 53 -12.086 9.101 -4.939 1.00 0.00 C ATOM 812 CD1 LEU A 53 -12.260 10.240 -5.930 1.00 0.00 C ATOM 813 CD2 LEU A 53 -10.769 9.243 -4.188 1.00 0.00 C ATOM 0 H LEU A 53 -13.285 6.620 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.324 8.126 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.180 8.923 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.334 10.021 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.064 8.162 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.413 10.258 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.181 10.094 -6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.310 11.186 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.945 9.274 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.780 10.164 -3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.638 8.393 -3.519 1.00 0.00 H new ATOM 825 N LYS A 54 -14.592 9.093 -1.282 1.00 0.00 N ATOM 826 CA LYS A 54 -15.770 9.302 -0.442 1.00 0.00 C ATOM 827 C LYS A 54 -16.992 9.608 -1.308 1.00 0.00 C ATOM 828 O LYS A 54 -18.117 9.685 -0.820 1.00 0.00 O ATOM 829 CB LYS A 54 -15.527 10.457 0.537 1.00 0.00 C ATOM 830 CG LYS A 54 -15.474 11.827 -0.128 1.00 0.00 C ATOM 831 CD LYS A 54 -15.213 12.932 0.883 1.00 0.00 C ATOM 832 CE LYS A 54 -15.425 14.312 0.275 1.00 0.00 C ATOM 833 NZ LYS A 54 -14.560 14.541 -0.913 1.00 0.00 N ATOM 0 H LYS A 54 -13.902 9.842 -1.229 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.956 8.389 0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.318 10.458 1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.589 10.283 1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.690 11.834 -0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.416 12.019 -0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.875 12.806 1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.192 12.851 1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.471 14.424 -0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.217 15.074 1.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.637 15.534 -1.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.572 14.328 -0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.866 13.921 -1.690 1.00 0.00 H new ATOM 847 N ASN A 55 -16.746 9.782 -2.599 1.00 0.00 N ATOM 848 CA ASN A 55 -17.793 10.117 -3.550 1.00 0.00 C ATOM 849 C ASN A 55 -18.137 8.890 -4.394 1.00 0.00 C ATOM 850 O ASN A 55 -18.681 9.012 -5.491 1.00 0.00 O ATOM 851 CB ASN A 55 -17.326 11.265 -4.452 1.00 0.00 C ATOM 852 CG ASN A 55 -18.456 11.877 -5.264 1.00 0.00 C ATOM 853 OD1 ASN A 55 -19.621 12.025 -4.655 1.00 0.00 O flip ATOM 854 ND2 ASN A 55 -18.265 12.245 -6.423 1.00 0.00 N flip ATOM 0 H ASN A 55 -15.818 9.695 -3.014 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.684 10.434 -3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -16.866 12.039 -3.838 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.556 10.897 -5.130 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.351 12.112 -6.856 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -19.021 12.683 -6.950 1.00 0.00 H new ATOM 861 N ASP A 56 -17.781 7.711 -3.871 1.00 0.00 N ATOM 862 CA ASP A 56 -18.073 6.418 -4.516 1.00 0.00 C ATOM 863 C ASP A 56 -17.119 6.128 -5.679 1.00 0.00 C ATOM 864 O ASP A 56 -16.734 4.978 -5.898 1.00 0.00 O ATOM 865 CB ASP A 56 -19.535 6.359 -4.988 1.00 0.00 C ATOM 866 CG ASP A 56 -19.867 5.096 -5.758 1.00 0.00 C ATOM 867 OD1 ASP A 56 -19.704 5.088 -6.996 1.00 0.00 O ATOM 868 OD2 ASP A 56 -20.325 4.116 -5.132 1.00 0.00 O ATOM 0 H ASP A 56 -17.281 7.623 -2.986 1.00 0.00 H new ATOM 0 HA ASP A 56 -17.918 5.643 -3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -20.192 6.431 -4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.741 7.225 -5.617 1.00 0.00 H new ATOM 873 N ASN A 57 -16.734 7.171 -6.410 1.00 0.00 N ATOM 874 CA ASN A 57 -15.860 7.030 -7.572 1.00 0.00 C ATOM 875 C ASN A 57 -14.543 6.370 -7.190 1.00 0.00 C ATOM 876 O ASN A 57 -13.929 6.725 -6.185 1.00 0.00 O ATOM 877 CB ASN A 57 -15.586 8.400 -8.201 1.00 0.00 C ATOM 878 CG ASN A 57 -14.714 8.314 -9.444 1.00 0.00 C ATOM 879 OD1 ASN A 57 -14.756 7.329 -10.185 1.00 0.00 O ATOM 880 ND2 ASN A 57 -13.920 9.348 -9.678 1.00 0.00 N ATOM 0 H ASN A 57 -17.017 8.132 -6.216 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.369 6.395 -8.297 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -16.534 8.872 -8.460 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -15.100 9.042 -7.466 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.312 9.349 -10.497 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.916 10.143 -9.039 1.00 0.00 H new ATOM 887 N THR A 58 -14.121 5.402 -7.982 1.00 0.00 N ATOM 888 CA THR A 58 -12.870 4.720 -7.730 1.00 0.00 C ATOM 889 C THR A 58 -11.805 5.145 -8.735 1.00 0.00 C ATOM 890 O THR A 58 -11.966 4.976 -9.946 1.00 0.00 O ATOM 891 CB THR A 58 -13.037 3.191 -7.781 1.00 0.00 C ATOM 892 OG1 THR A 58 -14.070 2.779 -6.874 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.730 2.500 -7.418 1.00 0.00 C ATOM 0 H THR A 58 -14.627 5.072 -8.804 1.00 0.00 H new ATOM 0 HA THR A 58 -12.552 5.002 -6.726 1.00 0.00 H new ATOM 0 HB THR A 58 -13.315 2.907 -8.796 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.171 1.805 -6.914 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.866 1.419 -7.459 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.954 2.795 -8.124 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.433 2.790 -6.410 1.00 0.00 H new ATOM 901 N VAL A 59 -10.723 5.706 -8.223 1.00 0.00 N ATOM 902 CA VAL A 59 -9.588 6.072 -9.048 1.00 0.00 C ATOM 903 C VAL A 59 -8.612 4.910 -9.091 1.00 0.00 C ATOM 904 O VAL A 59 -7.903 4.651 -8.120 1.00 0.00 O ATOM 905 CB VAL A 59 -8.862 7.319 -8.499 1.00 0.00 C ATOM 906 CG1 VAL A 59 -7.786 7.788 -9.469 1.00 0.00 C ATOM 907 CG2 VAL A 59 -9.854 8.433 -8.207 1.00 0.00 C ATOM 0 H VAL A 59 -10.608 5.919 -7.232 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.956 6.306 -10.047 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.375 7.046 -7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.287 8.668 -9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.056 6.992 -9.615 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.244 8.040 -10.426 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.322 9.302 -7.821 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.376 8.705 -9.124 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.577 8.092 -7.466 1.00 0.00 H new ATOM 917 N LEU A 60 -8.606 4.180 -10.190 1.00 0.00 N ATOM 918 CA LEU A 60 -7.715 3.044 -10.317 1.00 0.00 C ATOM 919 C LEU A 60 -6.417 3.460 -10.992 1.00 0.00 C ATOM 920 O LEU A 60 -6.422 4.088 -12.055 1.00 0.00 O ATOM 921 CB LEU A 60 -8.402 1.876 -11.047 1.00 0.00 C ATOM 922 CG LEU A 60 -8.984 2.182 -12.433 1.00 0.00 C ATOM 923 CD1 LEU A 60 -7.958 1.914 -13.521 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.241 1.360 -12.670 1.00 0.00 C ATOM 0 H LEU A 60 -9.202 4.351 -11.000 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.465 2.685 -9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.679 1.067 -11.152 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.207 1.504 -10.413 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.247 3.239 -12.469 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.393 2.138 -14.495 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.084 2.545 -13.360 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.659 0.866 -13.489 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.643 1.587 -13.657 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.998 0.299 -12.612 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.984 1.604 -11.910 1.00 0.00 H new ATOM 936 N LEU A 61 -5.313 3.151 -10.340 1.00 0.00 N ATOM 937 CA LEU A 61 -3.995 3.481 -10.851 1.00 0.00 C ATOM 938 C LEU A 61 -3.311 2.232 -11.374 1.00 0.00 C ATOM 939 O LEU A 61 -3.531 1.142 -10.856 1.00 0.00 O ATOM 940 CB LEU A 61 -3.126 4.083 -9.742 1.00 0.00 C ATOM 941 CG LEU A 61 -3.750 5.231 -8.948 1.00 0.00 C ATOM 942 CD1 LEU A 61 -2.824 5.641 -7.815 1.00 0.00 C ATOM 943 CD2 LEU A 61 -4.042 6.415 -9.856 1.00 0.00 C ATOM 0 H LEU A 61 -5.303 2.665 -9.443 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.116 4.205 -11.656 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.860 3.288 -9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.198 4.439 -10.189 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.694 4.890 -8.524 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.276 6.459 -7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.663 4.792 -7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.868 5.967 -8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.486 7.221 -9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.114 6.764 -10.309 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.736 6.110 -10.639 1.00 0.00 H new ATOM 955 N LYS A 62 -2.508 2.389 -12.406 1.00 0.00 N ATOM 956 CA LYS A 62 -1.611 1.332 -12.831 1.00 0.00 C ATOM 957 C LYS A 62 -0.181 1.852 -12.833 1.00 0.00 C ATOM 958 O LYS A 62 0.200 2.660 -13.683 1.00 0.00 O ATOM 959 CB LYS A 62 -2.007 0.776 -14.205 1.00 0.00 C ATOM 960 CG LYS A 62 -2.199 1.831 -15.284 1.00 0.00 C ATOM 961 CD LYS A 62 -2.511 1.196 -16.632 1.00 0.00 C ATOM 962 CE LYS A 62 -3.795 0.382 -16.591 1.00 0.00 C ATOM 963 NZ LYS A 62 -4.075 -0.283 -17.892 1.00 0.00 N ATOM 0 H LYS A 62 -2.457 3.239 -12.967 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.685 0.504 -12.126 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.240 0.075 -14.533 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.932 0.210 -14.100 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.010 2.501 -14.999 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.297 2.438 -15.366 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.599 1.975 -17.389 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.683 0.553 -16.931 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.722 -0.372 -15.807 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.629 1.033 -16.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.958 -0.827 -17.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.171 0.437 -18.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.292 -0.924 -18.130 1.00 0.00 H new ATOM 1039 N ILE A 67 7.295 -3.679 -11.707 1.00 0.00 N ATOM 1040 CA ILE A 67 6.663 -4.983 -11.842 1.00 0.00 C ATOM 1041 C ILE A 67 7.394 -6.015 -10.996 1.00 0.00 C ATOM 1042 O ILE A 67 8.413 -6.573 -11.410 1.00 0.00 O ATOM 1043 CB ILE A 67 6.625 -5.460 -13.312 1.00 0.00 C ATOM 1044 CG1 ILE A 67 6.016 -4.381 -14.223 1.00 0.00 C ATOM 1045 CG2 ILE A 67 5.837 -6.760 -13.427 1.00 0.00 C ATOM 1046 CD1 ILE A 67 4.586 -4.014 -13.883 1.00 0.00 C ATOM 0 HA ILE A 67 5.636 -4.878 -11.493 1.00 0.00 H new ATOM 0 HB ILE A 67 7.649 -5.642 -13.638 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.632 -3.484 -14.167 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.054 -4.729 -15.255 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.819 -7.084 -14.468 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.311 -7.528 -12.816 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.817 -6.599 -13.079 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.233 -3.247 -14.573 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.953 -4.898 -13.968 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.541 -3.633 -12.863 1.00 0.00 H new ATOM 1058 N VAL A 68 6.885 -6.244 -9.797 1.00 0.00 N ATOM 1059 CA VAL A 68 7.493 -7.193 -8.883 1.00 0.00 C ATOM 1060 C VAL A 68 6.741 -8.519 -8.913 1.00 0.00 C ATOM 1061 O VAL A 68 5.512 -8.546 -8.944 1.00 0.00 O ATOM 1062 CB VAL A 68 7.556 -6.633 -7.438 1.00 0.00 C ATOM 1063 CG1 VAL A 68 6.166 -6.289 -6.916 1.00 0.00 C ATOM 1064 CG2 VAL A 68 8.260 -7.609 -6.506 1.00 0.00 C ATOM 0 H VAL A 68 6.050 -5.784 -9.434 1.00 0.00 H new ATOM 0 HA VAL A 68 8.517 -7.364 -9.215 1.00 0.00 H new ATOM 0 HB VAL A 68 8.138 -5.712 -7.465 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.245 -5.899 -5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.712 -5.536 -7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.546 -7.186 -6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.291 -7.193 -5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.717 -8.554 -6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.277 -7.780 -6.859 1.00 0.00 H new ATOM 1074 N SER A 69 7.487 -9.612 -8.947 1.00 0.00 N ATOM 1075 CA SER A 69 6.897 -10.939 -8.963 1.00 0.00 C ATOM 1076 C SER A 69 6.265 -11.268 -7.610 1.00 0.00 C ATOM 1077 O SER A 69 6.964 -11.566 -6.641 1.00 0.00 O ATOM 1078 CB SER A 69 7.966 -11.976 -9.312 1.00 0.00 C ATOM 1079 OG SER A 69 8.726 -11.565 -10.437 1.00 0.00 O ATOM 0 H SER A 69 8.507 -9.605 -8.964 1.00 0.00 H new ATOM 0 HA SER A 69 6.113 -10.962 -9.720 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.626 -12.124 -8.457 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.493 -12.936 -9.520 1.00 0.00 H new ATOM 0 HG SER A 69 9.404 -12.243 -10.639 1.00 0.00 H new ATOM 1085 N VAL A 70 4.944 -11.181 -7.546 1.00 0.00 N ATOM 1086 CA VAL A 70 4.214 -11.496 -6.328 1.00 0.00 C ATOM 1087 C VAL A 70 3.742 -12.946 -6.361 1.00 0.00 C ATOM 1088 O VAL A 70 3.246 -13.417 -7.384 1.00 0.00 O ATOM 1089 CB VAL A 70 2.997 -10.565 -6.149 1.00 0.00 C ATOM 1090 CG1 VAL A 70 2.339 -10.786 -4.794 1.00 0.00 C ATOM 1091 CG2 VAL A 70 3.404 -9.111 -6.320 1.00 0.00 C ATOM 0 H VAL A 70 4.355 -10.894 -8.327 1.00 0.00 H new ATOM 0 HA VAL A 70 4.890 -11.348 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 70 2.268 -10.808 -6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.484 -10.118 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.003 -11.820 -4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.058 -10.578 -4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.531 -8.471 -6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.157 -8.854 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.816 -8.964 -7.318 1.00 0.00 H new ATOM 1101 N LYS A 71 3.910 -13.651 -5.255 1.00 0.00 N ATOM 1102 CA LYS A 71 3.505 -15.045 -5.183 1.00 0.00 C ATOM 1103 C LYS A 71 2.160 -15.183 -4.486 1.00 0.00 C ATOM 1104 O LYS A 71 1.522 -14.190 -4.137 1.00 0.00 O ATOM 1105 CB LYS A 71 4.557 -15.881 -4.456 1.00 0.00 C ATOM 1106 CG LYS A 71 5.867 -16.013 -5.211 1.00 0.00 C ATOM 1107 CD LYS A 71 6.811 -16.963 -4.498 1.00 0.00 C ATOM 1108 CE LYS A 71 8.130 -17.112 -5.239 1.00 0.00 C ATOM 1109 NZ LYS A 71 9.058 -18.041 -4.538 1.00 0.00 N ATOM 0 H LYS A 71 4.322 -13.283 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 71 3.409 -15.416 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.754 -15.433 -3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.153 -16.877 -4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.674 -16.376 -6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.335 -15.034 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.001 -16.597 -3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.337 -17.940 -4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.940 -17.480 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.602 -16.135 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.946 -18.116 -5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.259 -17.677 -3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.618 -18.981 -4.464 1.00 0.00 H new ATOM 1123 N PHE A 72 1.741 -16.423 -4.285 1.00 0.00 N ATOM 1124 CA PHE A 72 0.463 -16.718 -3.653 1.00 0.00 C ATOM 1125 C PHE A 72 0.710 -17.300 -2.269 1.00 0.00 C ATOM 1126 O PHE A 72 -0.144 -17.977 -1.693 1.00 0.00 O ATOM 1127 CB PHE A 72 -0.326 -17.711 -4.512 1.00 0.00 C ATOM 1128 CG PHE A 72 -0.343 -17.357 -5.972 1.00 0.00 C ATOM 1129 CD1 PHE A 72 -1.100 -16.296 -6.434 1.00 0.00 C ATOM 1130 CD2 PHE A 72 0.411 -18.085 -6.881 1.00 0.00 C ATOM 1131 CE1 PHE A 72 -1.109 -15.963 -7.775 1.00 0.00 C ATOM 1132 CE2 PHE A 72 0.404 -17.758 -8.224 1.00 0.00 C ATOM 1133 CZ PHE A 72 -0.356 -16.694 -8.671 1.00 0.00 C ATOM 0 H PHE A 72 2.274 -17.250 -4.554 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.118 -15.801 -3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.104 -18.705 -4.392 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.352 -17.761 -4.146 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.692 -15.720 -5.738 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.009 -18.915 -6.536 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.705 -15.131 -8.122 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.992 -18.334 -8.923 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.361 -16.435 -9.719 1.00 0.00 H new ATOM 1143 N SER A 73 1.897 -17.028 -1.750 1.00 0.00 N ATOM 1144 CA SER A 73 2.333 -17.574 -0.480 1.00 0.00 C ATOM 1145 C SER A 73 1.671 -16.845 0.686 1.00 0.00 C ATOM 1146 O SER A 73 1.046 -15.794 0.509 1.00 0.00 O ATOM 1147 CB SER A 73 3.855 -17.461 -0.379 1.00 0.00 C ATOM 1148 OG SER A 73 4.488 -17.999 -1.534 1.00 0.00 O ATOM 0 H SER A 73 2.583 -16.422 -2.200 1.00 0.00 H new ATOM 0 HA SER A 73 2.039 -18.622 -0.428 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.138 -16.415 -0.260 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.203 -17.988 0.509 1.00 0.00 H new ATOM 0 HG SER A 73 5.460 -17.913 -1.444 1.00 0.00 H new ATOM 1154 N LYS A 74 1.782 -17.429 1.869 1.00 0.00 N ATOM 1155 CA LYS A 74 1.270 -16.817 3.082 1.00 0.00 C ATOM 1156 C LYS A 74 2.391 -16.683 4.106 1.00 0.00 C ATOM 1157 O LYS A 74 2.545 -17.526 4.991 1.00 0.00 O ATOM 1158 CB LYS A 74 0.116 -17.637 3.683 1.00 0.00 C ATOM 1159 CG LYS A 74 -1.144 -17.701 2.823 1.00 0.00 C ATOM 1160 CD LYS A 74 -1.001 -18.679 1.666 1.00 0.00 C ATOM 1161 CE LYS A 74 -2.296 -18.818 0.878 1.00 0.00 C ATOM 1162 NZ LYS A 74 -3.404 -19.349 1.717 1.00 0.00 N ATOM 0 H LYS A 74 2.227 -18.335 2.014 1.00 0.00 H new ATOM 0 HA LYS A 74 0.886 -15.830 2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.467 -18.653 3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.145 -17.213 4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.991 -17.996 3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.366 -16.708 2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.206 -18.341 1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.703 -19.655 2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.581 -17.847 0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.134 -19.482 0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.168 -19.698 1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.050 -20.129 2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.770 -18.592 2.329 1.00 0.00 H new ATOM 1176 N ASP A 75 3.205 -15.648 3.956 1.00 0.00 N ATOM 1177 CA ASP A 75 4.306 -15.414 4.873 1.00 0.00 C ATOM 1178 C ASP A 75 4.015 -14.237 5.787 1.00 0.00 C ATOM 1179 O ASP A 75 4.402 -13.104 5.505 1.00 0.00 O ATOM 1180 CB ASP A 75 5.605 -15.169 4.109 1.00 0.00 C ATOM 1181 CG ASP A 75 6.236 -16.449 3.600 1.00 0.00 C ATOM 1182 OD1 ASP A 75 7.037 -17.058 4.339 1.00 0.00 O ATOM 1183 OD2 ASP A 75 5.935 -16.855 2.461 1.00 0.00 O ATOM 0 H ASP A 75 3.122 -14.959 3.208 1.00 0.00 H new ATOM 0 HA ASP A 75 4.421 -16.309 5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.406 -14.507 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.312 -14.654 4.759 1.00 0.00 H new ATOM 1188 N ARG A 76 3.317 -14.508 6.882 1.00 0.00 N ATOM 1189 CA ARG A 76 3.014 -13.476 7.865 1.00 0.00 C ATOM 1190 C ARG A 76 4.285 -13.053 8.587 1.00 0.00 C ATOM 1191 O ARG A 76 4.487 -11.873 8.858 1.00 0.00 O ATOM 1192 CB ARG A 76 1.977 -13.964 8.880 1.00 0.00 C ATOM 1193 CG ARG A 76 1.681 -12.951 9.975 1.00 0.00 C ATOM 1194 CD ARG A 76 0.739 -13.514 11.024 1.00 0.00 C ATOM 1195 NE ARG A 76 -0.614 -13.714 10.510 1.00 0.00 N ATOM 1196 CZ ARG A 76 -1.545 -14.427 11.140 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -1.271 -14.995 12.309 1.00 0.00 N ATOM 1198 NH2 ARG A 76 -2.751 -14.563 10.606 1.00 0.00 N ATOM 0 H ARG A 76 2.951 -15.432 7.112 1.00 0.00 H new ATOM 0 HA ARG A 76 2.596 -12.620 7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.051 -14.203 8.356 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.333 -14.888 9.336 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.614 -12.646 10.450 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.241 -12.057 9.534 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.131 -14.464 11.387 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.704 -12.837 11.877 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.859 -13.283 9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.346 -14.885 12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.985 -15.541 12.791 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.966 -14.121 9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.464 -15.109 11.089 1.00 0.00 H new ATOM 1212 N HIS A 77 5.152 -14.024 8.865 1.00 0.00 N ATOM 1213 CA HIS A 77 6.404 -13.753 9.569 1.00 0.00 C ATOM 1214 C HIS A 77 7.282 -12.802 8.769 1.00 0.00 C ATOM 1215 O HIS A 77 8.047 -12.025 9.339 1.00 0.00 O ATOM 1216 CB HIS A 77 7.172 -15.046 9.855 1.00 0.00 C ATOM 1217 CG HIS A 77 6.646 -15.834 11.017 1.00 0.00 C ATOM 1218 ND1 HIS A 77 6.080 -17.086 10.894 1.00 0.00 N ATOM 1219 CD2 HIS A 77 6.639 -15.553 12.341 1.00 0.00 C ATOM 1220 CE1 HIS A 77 5.748 -17.534 12.089 1.00 0.00 C ATOM 1221 NE2 HIS A 77 6.079 -16.625 12.984 1.00 0.00 N ATOM 0 H HIS A 77 5.012 -15.003 8.615 1.00 0.00 H new ATOM 0 HA HIS A 77 6.147 -13.284 10.519 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.147 -15.674 8.964 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.217 -14.800 10.042 1.00 0.00 H new ATOM 0 HD2 HIS A 77 7.007 -14.650 12.805 1.00 0.00 H new ATOM 0 HE1 HIS A 77 5.283 -18.486 12.299 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.941 -16.706 13.991 1.00 0.00 H new ATOM 1230 N LEU A 78 7.171 -12.860 7.449 1.00 0.00 N ATOM 1231 CA LEU A 78 7.933 -11.968 6.591 1.00 0.00 C ATOM 1232 C LEU A 78 7.350 -10.562 6.663 1.00 0.00 C ATOM 1233 O LEU A 78 8.081 -9.576 6.646 1.00 0.00 O ATOM 1234 CB LEU A 78 7.948 -12.477 5.149 1.00 0.00 C ATOM 1235 CG LEU A 78 8.845 -11.692 4.191 1.00 0.00 C ATOM 1236 CD1 LEU A 78 10.286 -11.694 4.682 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.761 -12.274 2.791 1.00 0.00 C ATOM 0 H LEU A 78 6.564 -13.512 6.953 1.00 0.00 H new ATOM 0 HA LEU A 78 8.965 -11.941 6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.270 -13.518 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.929 -12.459 4.764 1.00 0.00 H new ATOM 0 HG LEU A 78 8.495 -10.660 4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.908 -11.130 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.335 -11.233 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.648 -12.720 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.405 -11.704 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.086 -13.314 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.732 -12.222 2.436 1.00 0.00 H new ATOM 1249 N ILE A 79 6.028 -10.480 6.765 1.00 0.00 N ATOM 1250 CA ILE A 79 5.358 -9.201 6.967 1.00 0.00 C ATOM 1251 C ILE A 79 5.802 -8.587 8.290 1.00 0.00 C ATOM 1252 O ILE A 79 6.198 -7.422 8.351 1.00 0.00 O ATOM 1253 CB ILE A 79 3.820 -9.361 6.979 1.00 0.00 C ATOM 1254 CG1 ILE A 79 3.342 -10.033 5.691 1.00 0.00 C ATOM 1255 CG2 ILE A 79 3.142 -8.006 7.161 1.00 0.00 C ATOM 1256 CD1 ILE A 79 1.867 -10.373 5.693 1.00 0.00 C ATOM 0 H ILE A 79 5.400 -11.282 6.711 1.00 0.00 H new ATOM 0 HA ILE A 79 5.633 -8.550 6.137 1.00 0.00 H new ATOM 0 HB ILE A 79 3.546 -9.997 7.821 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.553 -9.375 4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.916 -10.946 5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.060 -8.138 7.167 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.459 -7.565 8.106 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.422 -7.346 6.340 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.601 -10.846 4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.652 -11.057 6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.284 -9.461 5.818 1.00 0.00 H new ATOM 1268 N GLU A 80 5.751 -9.399 9.344 1.00 0.00 N ATOM 1269 CA GLU A 80 6.139 -8.978 10.681 1.00 0.00 C ATOM 1270 C GLU A 80 7.578 -8.471 10.702 1.00 0.00 C ATOM 1271 O GLU A 80 7.862 -7.395 11.235 1.00 0.00 O ATOM 1272 CB GLU A 80 5.984 -10.147 11.655 1.00 0.00 C ATOM 1273 CG GLU A 80 4.571 -10.705 11.712 1.00 0.00 C ATOM 1274 CD GLU A 80 4.430 -11.836 12.710 1.00 0.00 C ATOM 1275 OE1 GLU A 80 4.148 -11.551 13.891 1.00 0.00 O ATOM 1276 OE2 GLU A 80 4.600 -13.011 12.320 1.00 0.00 O ATOM 0 H GLU A 80 5.438 -10.368 9.291 1.00 0.00 H new ATOM 0 HA GLU A 80 5.487 -8.160 10.986 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.669 -10.944 11.366 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.278 -9.820 12.652 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.879 -9.905 11.975 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.285 -11.061 10.722 1.00 0.00 H new ATOM 1283 N THR A 81 8.484 -9.239 10.114 1.00 0.00 N ATOM 1284 CA THR A 81 9.888 -8.865 10.092 1.00 0.00 C ATOM 1285 C THR A 81 10.117 -7.612 9.251 1.00 0.00 C ATOM 1286 O THR A 81 10.907 -6.753 9.630 1.00 0.00 O ATOM 1287 CB THR A 81 10.774 -10.016 9.581 1.00 0.00 C ATOM 1288 OG1 THR A 81 10.177 -10.619 8.431 1.00 0.00 O ATOM 1289 CG2 THR A 81 10.977 -11.065 10.662 1.00 0.00 C ATOM 0 H THR A 81 8.272 -10.121 9.648 1.00 0.00 H new ATOM 0 HA THR A 81 10.174 -8.647 11.121 1.00 0.00 H new ATOM 0 HB THR A 81 11.746 -9.604 9.311 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.489 -11.256 8.716 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.606 -11.867 10.277 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.460 -10.608 11.526 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.011 -11.472 10.960 1.00 0.00 H new ATOM 1297 N THR A 82 9.404 -7.497 8.134 1.00 0.00 N ATOM 1298 CA THR A 82 9.511 -6.317 7.276 1.00 0.00 C ATOM 1299 C THR A 82 9.020 -5.062 8.006 1.00 0.00 C ATOM 1300 O THR A 82 9.623 -3.992 7.891 1.00 0.00 O ATOM 1301 CB THR A 82 8.723 -6.505 5.959 1.00 0.00 C ATOM 1302 OG1 THR A 82 9.209 -7.661 5.264 1.00 0.00 O ATOM 1303 CG2 THR A 82 8.850 -5.286 5.054 1.00 0.00 C ATOM 0 H THR A 82 8.747 -8.203 7.801 1.00 0.00 H new ATOM 0 HA THR A 82 10.565 -6.189 7.030 1.00 0.00 H new ATOM 0 HB THR A 82 7.672 -6.635 6.215 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.935 -8.470 5.744 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.284 -5.453 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.458 -4.409 5.568 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.899 -5.123 4.808 1.00 0.00 H new ATOM 1311 N SER A 83 7.940 -5.203 8.767 1.00 0.00 N ATOM 1312 CA SER A 83 7.414 -4.100 9.564 1.00 0.00 C ATOM 1313 C SER A 83 8.457 -3.636 10.580 1.00 0.00 C ATOM 1314 O SER A 83 8.770 -2.445 10.672 1.00 0.00 O ATOM 1315 CB SER A 83 6.127 -4.535 10.275 1.00 0.00 C ATOM 1316 OG SER A 83 5.557 -3.469 11.013 1.00 0.00 O ATOM 0 H SER A 83 7.411 -6.071 8.849 1.00 0.00 H new ATOM 0 HA SER A 83 7.183 -3.265 8.903 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.408 -4.896 9.540 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.343 -5.368 10.944 1.00 0.00 H new ATOM 0 HG SER A 83 4.960 -2.952 10.433 1.00 0.00 H new ATOM 1322 N ASN A 84 9.016 -4.590 11.321 1.00 0.00 N ATOM 1323 CA ASN A 84 10.061 -4.298 12.295 1.00 0.00 C ATOM 1324 C ASN A 84 11.294 -3.726 11.607 1.00 0.00 C ATOM 1325 O ASN A 84 11.927 -2.804 12.111 1.00 0.00 O ATOM 1326 CB ASN A 84 10.440 -5.563 13.076 1.00 0.00 C ATOM 1327 CG ASN A 84 9.429 -5.923 14.153 1.00 0.00 C ATOM 1328 OD1 ASN A 84 9.551 -5.491 15.299 1.00 0.00 O ATOM 1329 ND2 ASN A 84 8.428 -6.716 13.799 1.00 0.00 N ATOM 0 H ASN A 84 8.760 -5.576 11.264 1.00 0.00 H new ATOM 0 HA ASN A 84 9.673 -3.556 12.993 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.535 -6.397 12.381 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.417 -5.419 13.537 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.725 -6.988 14.486 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.360 -7.054 12.839 1.00 0.00 H new ATOM 1336 N LYS A 85 11.611 -4.276 10.443 1.00 0.00 N ATOM 1337 CA LYS A 85 12.752 -3.843 9.639 1.00 0.00 C ATOM 1338 C LYS A 85 12.603 -2.384 9.201 1.00 0.00 C ATOM 1339 O LYS A 85 13.582 -1.637 9.150 1.00 0.00 O ATOM 1340 CB LYS A 85 12.870 -4.771 8.424 1.00 0.00 C ATOM 1341 CG LYS A 85 13.911 -4.372 7.391 1.00 0.00 C ATOM 1342 CD LYS A 85 13.894 -5.347 6.225 1.00 0.00 C ATOM 1343 CE LYS A 85 14.735 -4.862 5.058 1.00 0.00 C ATOM 1344 NZ LYS A 85 14.657 -5.789 3.898 1.00 0.00 N ATOM 0 H LYS A 85 11.082 -5.041 10.025 1.00 0.00 H new ATOM 0 HA LYS A 85 13.661 -3.902 10.238 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.102 -5.776 8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.898 -4.822 7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.710 -3.362 7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.900 -4.357 7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.264 -6.316 6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.866 -5.495 5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.398 -3.871 4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.773 -4.763 5.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.040 -5.320 3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.211 -6.645 4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.665 -6.051 3.729 1.00 0.00 H new ATOM 1358 N LEU A 86 11.377 -1.981 8.901 1.00 0.00 N ATOM 1359 CA LEU A 86 11.098 -0.605 8.514 1.00 0.00 C ATOM 1360 C LEU A 86 11.280 0.335 9.704 1.00 0.00 C ATOM 1361 O LEU A 86 11.812 1.432 9.567 1.00 0.00 O ATOM 1362 CB LEU A 86 9.670 -0.490 7.969 1.00 0.00 C ATOM 1363 CG LEU A 86 9.239 0.912 7.530 1.00 0.00 C ATOM 1364 CD1 LEU A 86 10.076 1.389 6.352 1.00 0.00 C ATOM 1365 CD2 LEU A 86 7.761 0.925 7.178 1.00 0.00 C ATOM 0 H LEU A 86 10.558 -2.588 8.918 1.00 0.00 H new ATOM 0 HA LEU A 86 11.802 -0.317 7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.570 -1.164 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.979 -0.839 8.736 1.00 0.00 H new ATOM 0 HG LEU A 86 9.402 1.598 8.361 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.753 2.387 6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.127 1.418 6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.949 0.704 5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.470 1.929 6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.575 0.225 6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.177 0.631 8.050 1.00 0.00 H new ATOM 1377 N LYS A 87 10.848 -0.114 10.875 1.00 0.00 N ATOM 1378 CA LYS A 87 10.927 0.696 12.086 1.00 0.00 C ATOM 1379 C LYS A 87 12.362 0.755 12.615 1.00 0.00 C ATOM 1380 O LYS A 87 12.782 1.751 13.208 1.00 0.00 O ATOM 1381 CB LYS A 87 9.991 0.120 13.156 1.00 0.00 C ATOM 1382 CG LYS A 87 9.901 0.952 14.428 1.00 0.00 C ATOM 1383 CD LYS A 87 9.246 2.301 14.177 1.00 0.00 C ATOM 1384 CE LYS A 87 9.137 3.120 15.455 1.00 0.00 C ATOM 1385 NZ LYS A 87 8.279 2.458 16.475 1.00 0.00 N ATOM 0 H LYS A 87 10.438 -1.038 11.013 1.00 0.00 H new ATOM 0 HA LYS A 87 10.616 1.712 11.843 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.992 0.019 12.731 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.330 -0.883 13.416 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.331 0.406 15.180 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.901 1.104 14.834 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.825 2.855 13.438 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.252 2.150 13.755 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.133 3.279 15.868 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.728 4.103 15.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.053 3.136 17.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.399 2.130 16.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.785 1.645 16.880 1.00 0.00 H new ATOM 1399 N SER A 88 13.114 -0.311 12.387 1.00 0.00 N ATOM 1400 CA SER A 88 14.464 -0.426 12.920 1.00 0.00 C ATOM 1401 C SER A 88 15.479 0.366 12.091 1.00 0.00 C ATOM 1402 O SER A 88 16.018 1.375 12.552 1.00 0.00 O ATOM 1403 CB SER A 88 14.865 -1.902 13.001 1.00 0.00 C ATOM 1404 OG SER A 88 14.566 -2.580 11.794 1.00 0.00 O ATOM 0 H SER A 88 12.811 -1.113 11.834 1.00 0.00 H new ATOM 0 HA SER A 88 14.467 0.005 13.921 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.932 -1.981 13.211 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.341 -2.379 13.829 1.00 0.00 H new ATOM 0 HG SER A 88 13.683 -3.000 11.865 1.00 0.00 H new ATOM 1410 N ARG A 89 15.734 -0.088 10.869 1.00 0.00 N ATOM 1411 CA ARG A 89 16.779 0.511 10.041 1.00 0.00 C ATOM 1412 C ARG A 89 16.223 1.587 9.121 1.00 0.00 C ATOM 1413 O ARG A 89 16.981 2.227 8.395 1.00 0.00 O ATOM 1414 CB ARG A 89 17.510 -0.555 9.214 1.00 0.00 C ATOM 1415 CG ARG A 89 18.408 -1.459 10.043 1.00 0.00 C ATOM 1416 CD ARG A 89 17.619 -2.555 10.738 1.00 0.00 C ATOM 1417 NE ARG A 89 18.261 -2.999 11.975 1.00 0.00 N ATOM 1418 CZ ARG A 89 18.727 -4.228 12.177 1.00 0.00 C ATOM 1419 NH1 ARG A 89 18.750 -5.102 11.179 1.00 0.00 N ATOM 1420 NH2 ARG A 89 19.197 -4.575 13.370 1.00 0.00 N ATOM 0 H ARG A 89 15.237 -0.863 10.430 1.00 0.00 H new ATOM 0 HA ARG A 89 17.491 0.979 10.721 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.773 -1.167 8.694 1.00 0.00 H new ATOM 0 HB3 ARG A 89 18.111 -0.061 8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.165 -1.908 9.400 1.00 0.00 H new ATOM 0 HG3 ARG A 89 18.936 -0.863 10.788 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.616 -2.192 10.961 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.508 -3.404 10.063 1.00 0.00 H new ATOM 0 HE ARG A 89 18.358 -2.322 12.732 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.410 -4.831 10.256 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.108 -6.045 11.335 1.00 0.00 H new ATOM 0 HH21 ARG A 89 19.201 -3.898 14.133 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.554 -5.518 13.523 1.00 0.00 H new ATOM 1434 N GLU A 90 14.908 1.790 9.165 1.00 0.00 N ATOM 1435 CA GLU A 90 14.242 2.771 8.308 1.00 0.00 C ATOM 1436 C GLU A 90 14.610 2.547 6.845 1.00 0.00 C ATOM 1437 O GLU A 90 15.320 3.350 6.229 1.00 0.00 O ATOM 1438 CB GLU A 90 14.592 4.196 8.739 1.00 0.00 C ATOM 1439 CG GLU A 90 14.156 4.524 10.158 1.00 0.00 C ATOM 1440 CD GLU A 90 14.563 5.918 10.577 1.00 0.00 C ATOM 1441 OE1 GLU A 90 13.799 6.869 10.321 1.00 0.00 O ATOM 1442 OE2 GLU A 90 15.652 6.068 11.174 1.00 0.00 O ATOM 0 H GLU A 90 14.278 1.285 9.789 1.00 0.00 H new ATOM 0 HA GLU A 90 13.165 2.638 8.415 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.670 4.338 8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 90 14.124 4.901 8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 90 13.073 4.426 10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 90 14.591 3.799 10.846 1.00 0.00 H new ATOM 1449 N ILE A 91 14.147 1.428 6.311 1.00 0.00 N ATOM 1450 CA ILE A 91 14.429 1.058 4.934 1.00 0.00 C ATOM 1451 C ILE A 91 13.588 1.877 3.964 1.00 0.00 C ATOM 1452 O ILE A 91 12.731 2.661 4.372 1.00 0.00 O ATOM 1453 CB ILE A 91 14.160 -0.441 4.688 1.00 0.00 C ATOM 1454 CG1 ILE A 91 12.694 -0.777 4.990 1.00 0.00 C ATOM 1455 CG2 ILE A 91 15.093 -1.288 5.540 1.00 0.00 C ATOM 1456 CD1 ILE A 91 12.296 -2.185 4.605 1.00 0.00 C ATOM 0 H ILE A 91 13.570 0.755 6.816 1.00 0.00 H new ATOM 0 HA ILE A 91 15.485 1.264 4.761 1.00 0.00 H new ATOM 0 HB ILE A 91 14.352 -0.665 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.511 -0.637 6.055 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.053 -0.071 4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.894 -2.344 5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.127 -1.064 5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 91 14.927 -1.064 6.594 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.246 -2.346 4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.445 -2.325 3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.910 -2.899 5.153 1.00 0.00 H new ATOM 1468 N THR A 92 13.827 1.681 2.680 1.00 0.00 N ATOM 1469 CA THR A 92 13.088 2.394 1.656 1.00 0.00 C ATOM 1470 C THR A 92 11.666 1.839 1.566 1.00 0.00 C ATOM 1471 O THR A 92 11.453 0.634 1.708 1.00 0.00 O ATOM 1472 CB THR A 92 13.786 2.266 0.290 1.00 0.00 C ATOM 1473 OG1 THR A 92 15.202 2.120 0.479 1.00 0.00 O ATOM 1474 CG2 THR A 92 13.521 3.493 -0.571 1.00 0.00 C ATOM 0 H THR A 92 14.528 1.033 2.322 1.00 0.00 H new ATOM 0 HA THR A 92 13.051 3.449 1.926 1.00 0.00 H new ATOM 0 HB THR A 92 13.386 1.387 -0.216 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.434 1.168 0.492 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.024 3.379 -1.531 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.448 3.598 -0.734 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.900 4.381 -0.065 1.00 0.00 H new ATOM 1482 N PHE A 93 10.693 2.714 1.330 1.00 0.00 N ATOM 1483 CA PHE A 93 9.294 2.304 1.292 1.00 0.00 C ATOM 1484 C PHE A 93 9.033 1.389 0.098 1.00 0.00 C ATOM 1485 O PHE A 93 8.099 0.583 0.108 1.00 0.00 O ATOM 1486 CB PHE A 93 8.381 3.534 1.250 1.00 0.00 C ATOM 1487 CG PHE A 93 6.911 3.221 1.326 1.00 0.00 C ATOM 1488 CD1 PHE A 93 6.371 2.628 2.458 1.00 0.00 C ATOM 1489 CD2 PHE A 93 6.067 3.528 0.271 1.00 0.00 C ATOM 1490 CE1 PHE A 93 5.021 2.346 2.534 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.716 3.250 0.344 1.00 0.00 C ATOM 1492 CZ PHE A 93 4.192 2.659 1.475 1.00 0.00 C ATOM 0 H PHE A 93 10.847 3.708 1.163 1.00 0.00 H new ATOM 0 HA PHE A 93 9.071 1.743 2.199 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.643 4.194 2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.576 4.084 0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.014 2.384 3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.470 3.990 -0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.614 1.881 3.420 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.069 3.496 -0.485 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.136 2.442 1.532 1.00 0.00 H new ATOM 1502 N GLN A 94 9.871 1.507 -0.926 1.00 0.00 N ATOM 1503 CA GLN A 94 9.800 0.614 -2.075 1.00 0.00 C ATOM 1504 C GLN A 94 10.160 -0.808 -1.654 1.00 0.00 C ATOM 1505 O GLN A 94 9.649 -1.779 -2.207 1.00 0.00 O ATOM 1506 CB GLN A 94 10.733 1.091 -3.197 1.00 0.00 C ATOM 1507 CG GLN A 94 12.213 0.975 -2.867 1.00 0.00 C ATOM 1508 CD GLN A 94 13.105 1.464 -3.989 1.00 0.00 C ATOM 1509 OE1 GLN A 94 13.489 2.631 -4.031 1.00 0.00 O ATOM 1510 NE2 GLN A 94 13.436 0.574 -4.907 1.00 0.00 N ATOM 0 H GLN A 94 10.606 2.212 -0.983 1.00 0.00 H new ATOM 0 HA GLN A 94 8.779 0.623 -2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 94 10.526 0.512 -4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.504 2.131 -3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.425 1.548 -1.964 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.451 -0.066 -2.647 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.095 -0.385 -4.834 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.032 0.845 -5.689 1.00 0.00 H new ATOM 1519 N GLU A 95 11.021 -0.917 -0.645 1.00 0.00 N ATOM 1520 CA GLU A 95 11.477 -2.210 -0.164 1.00 0.00 C ATOM 1521 C GLU A 95 10.389 -2.875 0.661 1.00 0.00 C ATOM 1522 O GLU A 95 10.137 -4.067 0.517 1.00 0.00 O ATOM 1523 CB GLU A 95 12.743 -2.061 0.678 1.00 0.00 C ATOM 1524 CG GLU A 95 13.889 -1.388 -0.052 1.00 0.00 C ATOM 1525 CD GLU A 95 15.146 -1.340 0.788 1.00 0.00 C ATOM 1526 OE1 GLU A 95 15.904 -2.332 0.777 1.00 0.00 O ATOM 1527 OE2 GLU A 95 15.377 -0.318 1.468 1.00 0.00 O ATOM 0 H GLU A 95 11.416 -0.120 -0.146 1.00 0.00 H new ATOM 0 HA GLU A 95 11.705 -2.833 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.507 -1.485 1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.066 -3.048 1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.093 -1.924 -0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.598 -0.374 -0.327 1.00 0.00 H new ATOM 1534 N TYR A 96 9.742 -2.087 1.515 1.00 0.00 N ATOM 1535 CA TYR A 96 8.639 -2.580 2.334 1.00 0.00 C ATOM 1536 C TYR A 96 7.562 -3.208 1.448 1.00 0.00 C ATOM 1537 O TYR A 96 7.040 -4.281 1.748 1.00 0.00 O ATOM 1538 CB TYR A 96 8.047 -1.438 3.175 1.00 0.00 C ATOM 1539 CG TYR A 96 6.917 -1.859 4.095 1.00 0.00 C ATOM 1540 CD1 TYR A 96 7.175 -2.349 5.368 1.00 0.00 C ATOM 1541 CD2 TYR A 96 5.594 -1.770 3.686 1.00 0.00 C ATOM 1542 CE1 TYR A 96 6.148 -2.739 6.209 1.00 0.00 C ATOM 1543 CE2 TYR A 96 4.564 -2.156 4.518 1.00 0.00 C ATOM 1544 CZ TYR A 96 4.845 -2.641 5.776 1.00 0.00 C ATOM 1545 OH TYR A 96 3.813 -3.031 6.598 1.00 0.00 O ATOM 0 H TYR A 96 9.963 -1.102 1.658 1.00 0.00 H new ATOM 0 HA TYR A 96 9.020 -3.345 3.011 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.842 -0.995 3.775 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.683 -0.660 2.504 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.197 -2.427 5.708 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.367 -1.392 2.700 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.367 -3.117 7.197 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.540 -2.078 4.184 1.00 0.00 H new ATOM 0 HH TYR A 96 3.557 -2.284 7.178 1.00 0.00 H new ATOM 1555 N ARG A 97 7.260 -2.540 0.342 1.00 0.00 N ATOM 1556 CA ARG A 97 6.262 -3.033 -0.600 1.00 0.00 C ATOM 1557 C ARG A 97 6.763 -4.267 -1.350 1.00 0.00 C ATOM 1558 O ARG A 97 5.999 -5.193 -1.611 1.00 0.00 O ATOM 1559 CB ARG A 97 5.875 -1.919 -1.582 1.00 0.00 C ATOM 1560 CG ARG A 97 5.008 -0.844 -0.946 1.00 0.00 C ATOM 1561 CD ARG A 97 5.111 0.494 -1.669 1.00 0.00 C ATOM 1562 NE ARG A 97 4.506 0.496 -3.007 1.00 0.00 N ATOM 1563 CZ ARG A 97 4.173 1.613 -3.663 1.00 0.00 C ATOM 1564 NH1 ARG A 97 4.311 2.795 -3.070 1.00 0.00 N ATOM 1565 NH2 ARG A 97 3.699 1.557 -4.903 1.00 0.00 N ATOM 0 H ARG A 97 7.692 -1.655 0.075 1.00 0.00 H new ATOM 0 HA ARG A 97 5.378 -3.332 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.781 -1.460 -1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.342 -2.355 -2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.969 -1.174 -0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 97 5.302 -0.714 0.095 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.630 1.261 -1.062 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.162 0.769 -1.756 1.00 0.00 H new ATOM 0 HE ARG A 97 4.331 -0.401 -3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.670 2.849 -2.117 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.058 3.648 -3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.585 0.655 -5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.449 2.416 -5.393 1.00 0.00 H new ATOM 1579 N ARG A 98 8.052 -4.290 -1.679 1.00 0.00 N ATOM 1580 CA ARG A 98 8.621 -5.410 -2.419 1.00 0.00 C ATOM 1581 C ARG A 98 8.737 -6.655 -1.538 1.00 0.00 C ATOM 1582 O ARG A 98 8.546 -7.782 -2.004 1.00 0.00 O ATOM 1583 CB ARG A 98 9.993 -5.042 -2.993 1.00 0.00 C ATOM 1584 CG ARG A 98 10.525 -6.079 -3.966 1.00 0.00 C ATOM 1585 CD ARG A 98 11.855 -5.666 -4.577 1.00 0.00 C ATOM 1586 NE ARG A 98 12.258 -6.593 -5.633 1.00 0.00 N ATOM 1587 CZ ARG A 98 13.449 -6.587 -6.233 1.00 0.00 C ATOM 1588 NH1 ARG A 98 14.387 -5.722 -5.870 1.00 0.00 N ATOM 1589 NH2 ARG A 98 13.703 -7.459 -7.200 1.00 0.00 N ATOM 0 H ARG A 98 8.717 -3.552 -1.447 1.00 0.00 H new ATOM 0 HA ARG A 98 7.945 -5.636 -3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.923 -4.079 -3.499 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.703 -4.921 -2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.645 -7.031 -3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.796 -6.237 -4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.775 -4.658 -4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.621 -5.636 -3.802 1.00 0.00 H new ATOM 0 HE ARG A 98 11.580 -7.294 -5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.201 -5.051 -5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.294 -5.728 -6.337 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.989 -8.130 -7.482 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.613 -7.458 -7.662 1.00 0.00 H new ATOM 1603 N ASN A 99 9.042 -6.449 -0.262 1.00 0.00 N ATOM 1604 CA ASN A 99 9.163 -7.558 0.683 1.00 0.00 C ATOM 1605 C ASN A 99 7.797 -8.198 0.919 1.00 0.00 C ATOM 1606 O ASN A 99 7.688 -9.415 1.072 1.00 0.00 O ATOM 1607 CB ASN A 99 9.780 -7.089 2.013 1.00 0.00 C ATOM 1608 CG ASN A 99 11.285 -6.843 1.930 1.00 0.00 C ATOM 1609 OD1 ASN A 99 12.006 -6.944 2.925 1.00 0.00 O ATOM 1610 ND2 ASN A 99 11.776 -6.521 0.742 1.00 0.00 N ATOM 0 H ASN A 99 9.210 -5.528 0.143 1.00 0.00 H new ATOM 0 HA ASN A 99 9.831 -8.304 0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.286 -6.171 2.330 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.583 -7.838 2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.775 -6.349 0.633 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.154 -6.445 -0.063 1.00 0.00 H new ATOM 1617 N LEU A 100 6.756 -7.371 0.914 1.00 0.00 N ATOM 1618 CA LEU A 100 5.382 -7.856 1.039 1.00 0.00 C ATOM 1619 C LEU A 100 4.999 -8.718 -0.158 1.00 0.00 C ATOM 1620 O LEU A 100 4.292 -9.717 -0.012 1.00 0.00 O ATOM 1621 CB LEU A 100 4.408 -6.684 1.168 1.00 0.00 C ATOM 1622 CG LEU A 100 4.375 -6.020 2.541 1.00 0.00 C ATOM 1623 CD1 LEU A 100 3.510 -4.775 2.507 1.00 0.00 C ATOM 1624 CD2 LEU A 100 3.850 -6.999 3.575 1.00 0.00 C ATOM 0 H LEU A 100 6.837 -6.358 0.824 1.00 0.00 H new ATOM 0 HA LEU A 100 5.323 -8.466 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.668 -5.932 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.405 -7.037 0.928 1.00 0.00 H new ATOM 0 HG LEU A 100 5.389 -5.726 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.497 -4.314 3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.916 -4.070 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.494 -5.046 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.829 -6.519 4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.842 -7.311 3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.502 -7.872 3.613 1.00 0.00 H new ATOM 1636 N ALA A 101 5.471 -8.330 -1.338 1.00 0.00 N ATOM 1637 CA ALA A 101 5.223 -9.095 -2.555 1.00 0.00 C ATOM 1638 C ALA A 101 5.754 -10.518 -2.414 1.00 0.00 C ATOM 1639 O ALA A 101 5.102 -11.484 -2.810 1.00 0.00 O ATOM 1640 CB ALA A 101 5.869 -8.412 -3.748 1.00 0.00 C ATOM 0 H ALA A 101 6.029 -7.488 -1.478 1.00 0.00 H new ATOM 0 HA ALA A 101 4.146 -9.142 -2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.676 -8.994 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.451 -7.412 -3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.945 -8.339 -3.587 1.00 0.00 H new ATOM 1646 N LYS A 102 6.943 -10.632 -1.835 1.00 0.00 N ATOM 1647 CA LYS A 102 7.562 -11.931 -1.588 1.00 0.00 C ATOM 1648 C LYS A 102 6.794 -12.711 -0.519 1.00 0.00 C ATOM 1649 O LYS A 102 6.785 -13.942 -0.520 1.00 0.00 O ATOM 1650 CB LYS A 102 9.028 -11.739 -1.182 1.00 0.00 C ATOM 1651 CG LYS A 102 9.700 -12.998 -0.659 1.00 0.00 C ATOM 1652 CD LYS A 102 11.206 -12.823 -0.545 1.00 0.00 C ATOM 1653 CE LYS A 102 11.849 -13.970 0.224 1.00 0.00 C ATOM 1654 NZ LYS A 102 11.346 -15.295 -0.221 1.00 0.00 N ATOM 0 H LYS A 102 7.501 -9.836 -1.526 1.00 0.00 H new ATOM 0 HA LYS A 102 7.527 -12.516 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.587 -11.373 -2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.083 -10.966 -0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.288 -13.252 0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.480 -13.832 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.642 -12.764 -1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.426 -11.880 -0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.931 -13.931 0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.652 -13.847 1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.966 -16.044 0.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.380 -15.438 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.339 -15.332 -1.260 1.00 0.00 H new ATOM 1668 N ALA A 103 6.132 -11.987 0.371 1.00 0.00 N ATOM 1669 CA ALA A 103 5.364 -12.606 1.447 1.00 0.00 C ATOM 1670 C ALA A 103 4.026 -13.139 0.940 1.00 0.00 C ATOM 1671 O ALA A 103 3.301 -13.818 1.668 1.00 0.00 O ATOM 1672 CB ALA A 103 5.144 -11.610 2.573 1.00 0.00 C ATOM 0 H ALA A 103 6.110 -10.967 0.371 1.00 0.00 H new ATOM 0 HA ALA A 103 5.937 -13.452 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.570 -12.083 3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.108 -11.284 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.596 -10.747 2.194 1.00 0.00 H new ATOM 1678 N GLY A 104 3.703 -12.817 -0.305 1.00 0.00 N ATOM 1679 CA GLY A 104 2.468 -13.287 -0.895 1.00 0.00 C ATOM 1680 C GLY A 104 1.358 -12.260 -0.803 1.00 0.00 C ATOM 1681 O GLY A 104 0.207 -12.546 -1.131 1.00 0.00 O ATOM 0 H GLY A 104 4.277 -12.237 -0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.641 -13.539 -1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 104 2.155 -14.203 -0.394 1.00 0.00 H new ATOM 1685 N VAL A 105 1.703 -11.060 -0.358 1.00 0.00 N ATOM 1686 CA VAL A 105 0.728 -9.988 -0.234 1.00 0.00 C ATOM 1687 C VAL A 105 0.520 -9.306 -1.577 1.00 0.00 C ATOM 1688 O VAL A 105 1.354 -8.523 -2.027 1.00 0.00 O ATOM 1689 CB VAL A 105 1.152 -8.938 0.812 1.00 0.00 C ATOM 1690 CG1 VAL A 105 0.109 -7.836 0.938 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.394 -9.602 2.157 1.00 0.00 C ATOM 0 H VAL A 105 2.650 -10.805 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.205 -10.441 0.101 1.00 0.00 H new ATOM 0 HB VAL A 105 2.082 -8.480 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.435 -7.110 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.013 -7.339 -0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.843 -8.269 1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.693 -8.849 2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.478 -10.089 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.185 -10.346 2.059 1.00 0.00 H new ATOM 1701 N PHE A 106 -0.584 -9.635 -2.222 1.00 0.00 N ATOM 1702 CA PHE A 106 -0.913 -9.060 -3.516 1.00 0.00 C ATOM 1703 C PHE A 106 -1.985 -7.986 -3.359 1.00 0.00 C ATOM 1704 O PHE A 106 -2.151 -7.126 -4.224 1.00 0.00 O ATOM 1705 CB PHE A 106 -1.396 -10.162 -4.469 1.00 0.00 C ATOM 1706 CG PHE A 106 -1.566 -9.718 -5.898 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -0.494 -9.741 -6.775 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -2.798 -9.286 -6.365 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -0.646 -9.340 -8.089 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -2.956 -8.884 -7.677 1.00 0.00 C ATOM 1711 CZ PHE A 106 -1.877 -8.912 -8.541 1.00 0.00 C ATOM 0 H PHE A 106 -1.272 -10.301 -1.870 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.020 -8.598 -3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.685 -10.988 -4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.348 -10.548 -4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.472 -10.076 -6.428 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -3.644 -9.264 -5.695 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.199 -9.362 -8.762 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -3.921 -8.548 -8.027 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.998 -8.599 -9.568 1.00 0.00 H new ATOM 1721 N ARG A 107 -2.692 -8.028 -2.239 1.00 0.00 N ATOM 1722 CA ARG A 107 -3.816 -7.131 -2.008 1.00 0.00 C ATOM 1723 C ARG A 107 -3.566 -6.247 -0.789 1.00 0.00 C ATOM 1724 O ARG A 107 -3.718 -6.679 0.356 1.00 0.00 O ATOM 1725 CB ARG A 107 -5.091 -7.961 -1.833 1.00 0.00 C ATOM 1726 CG ARG A 107 -6.366 -7.145 -1.701 1.00 0.00 C ATOM 1727 CD ARG A 107 -7.586 -8.050 -1.647 1.00 0.00 C ATOM 1728 NE ARG A 107 -8.830 -7.301 -1.475 1.00 0.00 N ATOM 1729 CZ ARG A 107 -9.878 -7.404 -2.293 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -9.824 -8.194 -3.355 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -10.987 -6.718 -2.040 1.00 0.00 N ATOM 0 H ARG A 107 -2.507 -8.676 -1.473 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.933 -6.471 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.192 -8.632 -2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.983 -8.586 -0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.320 -6.535 -0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.453 -6.460 -2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.642 -8.635 -2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.474 -8.757 -0.825 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.900 -6.662 -0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.977 -8.728 -3.551 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.629 -8.268 -3.977 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.037 -6.113 -1.220 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.789 -6.796 -2.665 1.00 0.00 H new ATOM 1745 N TRP A 108 -3.156 -5.014 -1.053 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.882 -4.033 -0.012 1.00 0.00 C ATOM 1747 C TRP A 108 -4.116 -3.155 0.185 1.00 0.00 C ATOM 1748 O TRP A 108 -4.392 -2.270 -0.620 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.667 -3.188 -0.434 1.00 0.00 C ATOM 1750 CG TRP A 108 -1.229 -2.127 0.540 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -2.012 -1.207 1.174 1.00 0.00 C ATOM 1752 CD2 TRP A 108 0.118 -1.844 0.941 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -1.239 -0.391 1.961 1.00 0.00 N ATOM 1754 CE2 TRP A 108 0.071 -0.761 1.835 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.359 -2.409 0.637 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 1.214 -0.231 2.430 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 2.493 -1.881 1.224 1.00 0.00 C ATOM 1758 CH2 TRP A 108 2.414 -0.802 2.112 1.00 0.00 C ATOM 0 H TRP A 108 -3.003 -4.665 -1.999 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.655 -4.528 0.932 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.827 -3.859 -0.611 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -1.897 -2.707 -1.385 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -3.084 -1.132 1.071 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.586 0.369 2.546 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.431 -3.244 -0.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 1.154 0.600 3.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.458 -2.309 0.993 1.00 0.00 H new ATOM 0 HH2 TRP A 108 3.319 -0.413 2.555 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.867 -3.405 1.244 1.00 0.00 N ATOM 1770 CA VAL A 109 -6.094 -2.662 1.485 1.00 0.00 C ATOM 1771 C VAL A 109 -5.961 -1.780 2.720 1.00 0.00 C ATOM 1772 O VAL A 109 -6.047 -2.256 3.850 1.00 0.00 O ATOM 1773 CB VAL A 109 -7.307 -3.602 1.655 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.587 -2.807 1.881 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.453 -4.505 0.442 1.00 0.00 C ATOM 0 H VAL A 109 -4.651 -4.112 1.947 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.262 -2.035 0.609 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.133 -4.222 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.426 -3.493 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.485 -2.202 2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.767 -2.156 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.313 -5.161 0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.599 -3.896 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.552 -5.107 0.326 1.00 0.00 H new ATOM 1785 N THR A 110 -5.735 -0.499 2.504 1.00 0.00 N ATOM 1786 CA THR A 110 -5.647 0.439 3.604 1.00 0.00 C ATOM 1787 C THR A 110 -6.928 1.241 3.722 1.00 0.00 C ATOM 1788 O THR A 110 -7.251 2.057 2.852 1.00 0.00 O ATOM 1789 CB THR A 110 -4.454 1.393 3.449 1.00 0.00 C ATOM 1790 OG1 THR A 110 -3.246 0.635 3.404 1.00 0.00 O ATOM 1791 CG2 THR A 110 -4.382 2.391 4.598 1.00 0.00 C ATOM 0 H THR A 110 -5.609 -0.086 1.580 1.00 0.00 H new ATOM 0 HA THR A 110 -5.498 -0.145 4.512 1.00 0.00 H new ATOM 0 HB THR A 110 -4.585 1.953 2.523 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.249 0.062 2.609 1.00 0.00 H new ATOM 0 HG21 THR A 110 -3.526 3.050 4.455 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.296 2.984 4.622 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.273 1.854 5.540 1.00 0.00 H new ATOM 1799 N ASN A 111 -7.665 0.986 4.789 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.858 1.753 5.079 1.00 0.00 C ATOM 1801 C ASN A 111 -8.471 2.993 5.871 1.00 0.00 C ATOM 1802 O ASN A 111 -8.076 2.895 7.035 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.889 0.921 5.858 1.00 0.00 C ATOM 1804 CG ASN A 111 -10.454 -0.247 5.063 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -10.479 -0.231 3.835 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -10.947 -1.259 5.763 1.00 0.00 N ATOM 0 H ASN A 111 -7.456 0.253 5.467 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.322 2.045 4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -9.424 0.540 6.767 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.709 1.570 6.167 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.363 -2.057 5.282 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -10.910 -1.240 6.782 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.561 4.151 5.229 1.00 0.00 N ATOM 1814 CA ILE A 112 -8.157 5.412 5.845 1.00 0.00 C ATOM 1815 C ILE A 112 -9.056 5.733 7.032 1.00 0.00 C ATOM 1816 O ILE A 112 -8.591 6.180 8.082 1.00 0.00 O ATOM 1817 CB ILE A 112 -8.204 6.578 4.827 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -7.291 6.290 3.626 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -7.811 7.889 5.493 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -5.847 6.035 4.002 1.00 0.00 C ATOM 0 H ILE A 112 -8.912 4.245 4.276 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.129 5.297 6.189 1.00 0.00 H new ATOM 0 HB ILE A 112 -9.228 6.670 4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -7.675 5.423 3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -7.334 7.135 2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.850 8.695 4.761 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.502 8.105 6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.798 7.807 5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.265 5.840 3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.444 6.910 4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.791 5.171 4.665 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.344 5.472 6.864 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.320 5.692 7.924 1.00 0.00 C ATOM 1834 C HIS A 113 -11.032 4.781 9.121 1.00 0.00 C ATOM 1835 O HIS A 113 -11.362 5.108 10.261 1.00 0.00 O ATOM 1836 CB HIS A 113 -12.735 5.445 7.392 1.00 0.00 C ATOM 1837 CG HIS A 113 -13.814 5.682 8.407 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -14.399 4.671 9.136 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -14.407 6.827 8.817 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -15.306 5.181 9.944 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -15.330 6.488 9.773 1.00 0.00 N ATOM 0 H HIS A 113 -10.740 5.105 5.999 1.00 0.00 H new ATOM 0 HA HIS A 113 -11.245 6.727 8.258 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.908 6.093 6.533 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -12.805 4.418 7.035 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -14.166 3.681 9.062 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -14.193 7.823 8.458 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -15.925 4.623 10.630 1.00 0.00 H new ATOM 1850 N GLU A 114 -10.413 3.641 8.851 1.00 0.00 N ATOM 1851 CA GLU A 114 -10.118 2.659 9.887 1.00 0.00 C ATOM 1852 C GLU A 114 -8.722 2.858 10.461 1.00 0.00 C ATOM 1853 O GLU A 114 -8.439 2.402 11.570 1.00 0.00 O ATOM 1854 CB GLU A 114 -10.244 1.239 9.328 1.00 0.00 C ATOM 1855 CG GLU A 114 -11.668 0.702 9.290 1.00 0.00 C ATOM 1856 CD GLU A 114 -12.647 1.633 8.600 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -12.582 1.766 7.360 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -13.486 2.238 9.303 1.00 0.00 O ATOM 0 H GLU A 114 -10.103 3.371 7.917 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.843 2.800 10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.835 1.222 8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.632 0.569 9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.672 -0.260 8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.007 0.522 10.310 1.00 0.00 H new ATOM 1865 N GLN A 115 -7.860 3.540 9.703 1.00 0.00 N ATOM 1866 CA GLN A 115 -6.458 3.724 10.082 1.00 0.00 C ATOM 1867 C GLN A 115 -5.765 2.366 10.187 1.00 0.00 C ATOM 1868 O GLN A 115 -4.881 2.155 11.021 1.00 0.00 O ATOM 1869 CB GLN A 115 -6.351 4.498 11.403 1.00 0.00 C ATOM 1870 CG GLN A 115 -6.895 5.915 11.311 1.00 0.00 C ATOM 1871 CD GLN A 115 -6.008 6.834 10.493 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -4.782 6.698 10.489 1.00 0.00 O ATOM 1873 NE2 GLN A 115 -6.620 7.764 9.780 1.00 0.00 N ATOM 0 H GLN A 115 -8.112 3.977 8.816 1.00 0.00 H new ATOM 0 HA GLN A 115 -5.958 4.310 9.311 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -6.893 3.957 12.179 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -5.306 4.536 11.711 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -7.890 5.889 10.867 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -7.004 6.323 12.316 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -7.636 7.844 9.811 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -6.076 8.402 9.199 1.00 0.00 H new ATOM 1882 N LYS A 116 -6.158 1.452 9.311 1.00 0.00 N ATOM 1883 CA LYS A 116 -5.643 0.089 9.340 1.00 0.00 C ATOM 1884 C LYS A 116 -5.196 -0.352 7.955 1.00 0.00 C ATOM 1885 O LYS A 116 -5.904 -0.146 6.968 1.00 0.00 O ATOM 1886 CB LYS A 116 -6.709 -0.874 9.869 1.00 0.00 C ATOM 1887 CG LYS A 116 -7.045 -0.680 11.336 1.00 0.00 C ATOM 1888 CD LYS A 116 -8.136 -1.633 11.781 1.00 0.00 C ATOM 1889 CE LYS A 116 -8.310 -1.621 13.288 1.00 0.00 C ATOM 1890 NZ LYS A 116 -9.338 -2.595 13.732 1.00 0.00 N ATOM 0 H LYS A 116 -6.834 1.630 8.569 1.00 0.00 H new ATOM 0 HA LYS A 116 -4.781 0.071 10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -7.618 -0.752 9.280 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.366 -1.898 9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.152 -0.839 11.940 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.366 0.348 11.505 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.077 -1.358 11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -7.894 -2.643 11.450 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -7.358 -1.854 13.766 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -8.593 -0.620 13.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -9.428 -2.557 14.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -10.252 -2.358 13.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -9.055 -3.554 13.444 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.016 -0.946 7.892 1.00 0.00 N ATOM 1905 CA ARG A 117 -3.479 -1.469 6.647 1.00 0.00 C ATOM 1906 C ARG A 117 -3.643 -2.984 6.594 1.00 0.00 C ATOM 1907 O ARG A 117 -2.903 -3.727 7.239 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.007 -1.071 6.511 1.00 0.00 C ATOM 1909 CG ARG A 117 -1.815 0.408 6.224 1.00 0.00 C ATOM 1910 CD ARG A 117 -0.659 1.004 7.009 1.00 0.00 C ATOM 1911 NE ARG A 117 0.610 0.349 6.722 1.00 0.00 N ATOM 1912 CZ ARG A 117 1.691 0.979 6.271 1.00 0.00 C ATOM 1913 NH1 ARG A 117 1.648 2.277 5.987 1.00 0.00 N ATOM 1914 NH2 ARG A 117 2.818 0.310 6.111 1.00 0.00 N ATOM 0 H ARG A 117 -3.406 -1.079 8.698 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.032 -1.042 5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.481 -1.328 7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -1.552 -1.653 5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.638 0.549 5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.732 0.945 6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.576 2.066 6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.871 0.926 8.075 1.00 0.00 H new ATOM 0 HE ARG A 117 0.674 -0.657 6.877 1.00 0.00 H new ATOM 0 HH11 ARG A 117 0.781 2.798 6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 117 2.482 2.751 5.642 1.00 0.00 H new ATOM 0 HH21 ARG A 117 2.856 -0.685 6.333 1.00 0.00 H new ATOM 0 HH22 ARG A 117 3.650 0.788 5.765 1.00 0.00 H new ATOM 1928 N TYR A 118 -4.637 -3.432 5.843 1.00 0.00 N ATOM 1929 CA TYR A 118 -4.931 -4.852 5.718 1.00 0.00 C ATOM 1930 C TYR A 118 -4.118 -5.468 4.588 1.00 0.00 C ATOM 1931 O TYR A 118 -4.100 -4.950 3.471 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.420 -5.071 5.440 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.346 -4.575 6.529 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -7.810 -3.265 6.530 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -7.771 -5.423 7.542 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -8.664 -2.813 7.515 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -8.628 -4.980 8.531 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.073 -3.674 8.510 1.00 0.00 C ATOM 1939 OH TYR A 118 -9.931 -3.229 9.491 1.00 0.00 O ATOM 0 H TYR A 118 -5.259 -2.827 5.306 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.665 -5.333 6.659 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.679 -4.571 4.506 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.595 -6.136 5.290 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.497 -2.590 5.747 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -7.426 -6.446 7.558 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.010 -1.790 7.506 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -8.947 -5.651 9.315 1.00 0.00 H new ATOM 0 HH TYR A 118 -10.122 -3.960 10.115 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.449 -6.569 4.881 1.00 0.00 N ATOM 1950 CA TYR A 119 -2.644 -7.253 3.884 1.00 0.00 C ATOM 1951 C TYR A 119 -3.255 -8.605 3.542 1.00 0.00 C ATOM 1952 O TYR A 119 -3.332 -9.500 4.388 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.207 -7.421 4.387 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.550 -6.111 4.763 1.00 0.00 C ATOM 1955 CD1 TYR A 119 -0.279 -5.147 3.800 1.00 0.00 C ATOM 1956 CD2 TYR A 119 -0.209 -5.833 6.081 1.00 0.00 C ATOM 1957 CE1 TYR A 119 0.311 -3.945 4.139 1.00 0.00 C ATOM 1958 CE2 TYR A 119 0.382 -4.634 6.426 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.639 -3.692 5.453 1.00 0.00 C ATOM 1960 OH TYR A 119 1.224 -2.496 5.795 1.00 0.00 O ATOM 0 H TYR A 119 -3.447 -7.009 5.801 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.624 -6.648 2.977 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.207 -8.082 5.254 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.613 -7.909 3.614 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -0.534 -5.341 2.769 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -0.409 -6.567 6.848 1.00 0.00 H new ATOM 0 HE1 TYR A 119 0.514 -3.207 3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 119 0.642 -4.435 7.455 1.00 0.00 H new ATOM 0 HH TYR A 119 2.173 -2.641 5.994 1.00 0.00 H new ATOM 1970 N TYR A 120 -3.712 -8.737 2.305 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.327 -9.971 1.837 1.00 0.00 C ATOM 1972 C TYR A 120 -3.438 -10.647 0.798 1.00 0.00 C ATOM 1973 O TYR A 120 -2.802 -9.979 -0.018 1.00 0.00 O ATOM 1974 CB TYR A 120 -5.698 -9.698 1.203 1.00 0.00 C ATOM 1975 CG TYR A 120 -6.723 -9.070 2.125 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -6.783 -7.695 2.302 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -7.641 -9.857 2.806 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -7.728 -7.122 3.132 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -8.590 -9.290 3.637 1.00 0.00 C ATOM 1980 CZ TYR A 120 -8.624 -7.924 3.797 1.00 0.00 C ATOM 1981 OH TYR A 120 -9.568 -7.354 4.621 1.00 0.00 O ATOM 0 H TYR A 120 -3.668 -7.999 1.603 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.452 -10.623 2.702 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.558 -9.044 0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.100 -10.639 0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -6.079 -7.062 1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -7.614 -10.930 2.685 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -7.762 -6.050 3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -9.300 -9.916 4.157 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.125 -8.057 5.015 1.00 0.00 H new ATOM 1991 N THR A 121 -3.400 -11.969 0.833 1.00 0.00 N ATOM 1992 CA THR A 121 -2.740 -12.735 -0.211 1.00 0.00 C ATOM 1993 C THR A 121 -3.660 -12.815 -1.434 1.00 0.00 C ATOM 1994 O THR A 121 -4.830 -12.430 -1.350 1.00 0.00 O ATOM 1995 CB THR A 121 -2.367 -14.154 0.288 1.00 0.00 C ATOM 1996 OG1 THR A 121 -1.709 -14.899 -0.745 1.00 0.00 O ATOM 1997 CG2 THR A 121 -3.599 -14.912 0.761 1.00 0.00 C ATOM 0 H THR A 121 -3.818 -12.534 1.573 1.00 0.00 H new ATOM 0 HA THR A 121 -1.813 -12.233 -0.487 1.00 0.00 H new ATOM 0 HB THR A 121 -1.686 -14.036 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.962 -14.374 -1.102 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.306 -15.904 1.105 1.00 0.00 H new ATOM 0 HG22 THR A 121 -4.069 -14.368 1.580 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.306 -15.008 -0.063 1.00 0.00 H new ATOM 2005 N PHE A 122 -3.146 -13.306 -2.558 1.00 0.00 N ATOM 2006 CA PHE A 122 -3.937 -13.391 -3.788 1.00 0.00 C ATOM 2007 C PHE A 122 -5.095 -14.370 -3.607 1.00 0.00 C ATOM 2008 O PHE A 122 -6.133 -14.258 -4.260 1.00 0.00 O ATOM 2009 CB PHE A 122 -3.061 -13.817 -4.969 1.00 0.00 C ATOM 2010 CG PHE A 122 -3.763 -13.730 -6.296 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -3.868 -12.519 -6.957 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -4.322 -14.857 -6.880 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -4.514 -12.430 -8.175 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -4.969 -14.774 -8.096 1.00 0.00 C ATOM 2015 CZ PHE A 122 -5.066 -13.558 -8.745 1.00 0.00 C ATOM 0 H PHE A 122 -2.190 -13.650 -2.646 1.00 0.00 H new ATOM 0 HA PHE A 122 -4.343 -12.402 -4.002 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -2.170 -13.189 -4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -2.724 -14.842 -4.811 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -3.439 -11.632 -6.515 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.250 -15.810 -6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -4.587 -11.478 -8.680 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -5.399 -15.659 -8.540 1.00 0.00 H new ATOM 0 HZ PHE A 122 -5.573 -13.491 -9.696 1.00 0.00 H new ATOM 2025 N ASP A 123 -4.905 -15.320 -2.696 1.00 0.00 N ATOM 2026 CA ASP A 123 -5.953 -16.269 -2.315 1.00 0.00 C ATOM 2027 C ASP A 123 -7.150 -15.531 -1.709 1.00 0.00 C ATOM 2028 O ASP A 123 -8.264 -16.058 -1.649 1.00 0.00 O ATOM 2029 CB ASP A 123 -5.383 -17.283 -1.318 1.00 0.00 C ATOM 2030 CG ASP A 123 -6.431 -18.215 -0.750 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -6.705 -19.262 -1.372 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -6.966 -17.922 0.334 1.00 0.00 O ATOM 0 H ASP A 123 -4.024 -15.456 -2.201 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.299 -16.798 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.611 -17.873 -1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -4.901 -16.747 -0.500 1.00 0.00 H new ATOM 2037 N ASN A 124 -6.895 -14.291 -1.302 1.00 0.00 N ATOM 2038 CA ASN A 124 -7.882 -13.415 -0.685 1.00 0.00 C ATOM 2039 C ASN A 124 -8.218 -13.895 0.717 1.00 0.00 C ATOM 2040 O ASN A 124 -9.240 -14.541 0.958 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.147 -13.281 -1.540 1.00 0.00 C ATOM 2042 CG ASN A 124 -9.971 -12.068 -1.152 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -9.753 -10.969 -1.664 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -10.931 -12.256 -0.266 1.00 0.00 N ATOM 0 H ASN A 124 -5.976 -13.859 -1.395 1.00 0.00 H new ATOM 0 HA ASN A 124 -7.440 -12.421 -0.615 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -8.868 -13.208 -2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -9.754 -14.180 -1.433 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -11.524 -11.476 0.017 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -11.080 -13.182 0.136 1.00 0.00 H new ATOM 2051 N SER A 125 -7.312 -13.596 1.632 1.00 0.00 N ATOM 2052 CA SER A 125 -7.475 -13.938 3.028 1.00 0.00 C ATOM 2053 C SER A 125 -6.632 -12.986 3.866 1.00 0.00 C ATOM 2054 O SER A 125 -5.552 -12.567 3.438 1.00 0.00 O ATOM 2055 CB SER A 125 -7.062 -15.394 3.280 1.00 0.00 C ATOM 2056 OG SER A 125 -7.371 -15.799 4.605 1.00 0.00 O ATOM 0 H SER A 125 -6.441 -13.108 1.423 1.00 0.00 H new ATOM 0 HA SER A 125 -8.524 -13.840 3.309 1.00 0.00 H new ATOM 0 HB2 SER A 125 -7.572 -16.046 2.571 1.00 0.00 H new ATOM 0 HB3 SER A 125 -5.992 -15.506 3.104 1.00 0.00 H new ATOM 0 HG SER A 125 -7.098 -16.731 4.734 1.00 0.00 H new ATOM 2062 N LEU A 126 -7.140 -12.623 5.032 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.468 -11.662 5.894 1.00 0.00 C ATOM 2064 C LEU A 126 -5.225 -12.277 6.529 1.00 0.00 C ATOM 2065 O LEU A 126 -5.321 -13.079 7.459 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.428 -11.167 6.978 1.00 0.00 C ATOM 2067 CG LEU A 126 -6.882 -10.062 7.883 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.501 -8.836 7.066 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -7.903 -9.699 8.951 1.00 0.00 C ATOM 0 H LEU A 126 -8.019 -12.980 5.406 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.154 -10.815 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.336 -10.804 6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.714 -12.015 7.600 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.984 -10.433 8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.115 -8.062 7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.735 -9.107 6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.380 -8.460 6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.500 -8.911 9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.818 -9.348 8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.123 -10.578 9.557 1.00 0.00 H new ATOM 2081 N LEU A 127 -4.063 -11.910 6.006 1.00 0.00 N ATOM 2082 CA LEU A 127 -2.804 -12.402 6.538 1.00 0.00 C ATOM 2083 C LEU A 127 -2.323 -11.534 7.687 1.00 0.00 C ATOM 2084 O LEU A 127 -1.832 -12.048 8.693 1.00 0.00 O ATOM 2085 CB LEU A 127 -1.732 -12.452 5.449 1.00 0.00 C ATOM 2086 CG LEU A 127 -1.861 -13.610 4.462 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -0.751 -13.549 3.424 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -1.829 -14.935 5.207 1.00 0.00 C ATOM 0 H LEU A 127 -3.968 -11.274 5.214 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.978 -13.412 6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.759 -11.516 4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.754 -12.510 5.927 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.816 -13.527 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.857 -14.381 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.816 -12.608 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.217 -13.614 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.922 -15.755 4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.886 -15.027 5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.657 -14.974 5.915 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.467 -10.226 7.541 1.00 0.00 N ATOM 2101 CA PHE A 128 -1.977 -9.302 8.551 1.00 0.00 C ATOM 2102 C PHE A 128 -2.756 -7.994 8.510 1.00 0.00 C ATOM 2103 O PHE A 128 -3.233 -7.576 7.455 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.487 -9.032 8.322 1.00 0.00 C ATOM 2105 CG PHE A 128 0.253 -8.620 9.560 1.00 0.00 C ATOM 2106 CD1 PHE A 128 0.698 -9.577 10.453 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.514 -7.286 9.827 1.00 0.00 C ATOM 2108 CE1 PHE A 128 1.387 -9.220 11.592 1.00 0.00 C ATOM 2109 CE2 PHE A 128 1.203 -6.917 10.967 1.00 0.00 C ATOM 2110 CZ PHE A 128 1.640 -7.887 11.851 1.00 0.00 C ATOM 0 H PHE A 128 -2.916 -9.783 6.739 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.117 -9.753 9.533 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -0.023 -9.931 7.915 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.381 -8.250 7.570 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.503 -10.621 10.255 1.00 0.00 H new ATOM 0 HD2 PHE A 128 0.176 -6.527 9.137 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.728 -9.980 12.280 1.00 0.00 H new ATOM 0 HE2 PHE A 128 1.400 -5.874 11.167 1.00 0.00 H new ATOM 0 HZ PHE A 128 2.178 -7.602 12.743 1.00 0.00 H new ATOM 2120 N THR A 129 -2.900 -7.366 9.664 1.00 0.00 N ATOM 2121 CA THR A 129 -3.537 -6.067 9.757 1.00 0.00 C ATOM 2122 C THR A 129 -2.640 -5.099 10.515 1.00 0.00 C ATOM 2123 O THR A 129 -2.570 -5.132 11.743 1.00 0.00 O ATOM 2124 CB THR A 129 -4.902 -6.166 10.466 1.00 0.00 C ATOM 2125 OG1 THR A 129 -5.716 -7.148 9.815 1.00 0.00 O ATOM 2126 CG2 THR A 129 -5.618 -4.823 10.459 1.00 0.00 C ATOM 0 H THR A 129 -2.580 -7.741 10.557 1.00 0.00 H new ATOM 0 HA THR A 129 -3.699 -5.700 8.744 1.00 0.00 H new ATOM 0 HB THR A 129 -4.729 -6.460 11.501 1.00 0.00 H new ATOM 0 HG1 THR A 129 -6.363 -6.701 9.230 1.00 0.00 H new ATOM 0 HG21 THR A 129 -6.578 -4.920 10.965 1.00 0.00 H new ATOM 0 HG22 THR A 129 -5.008 -4.083 10.977 1.00 0.00 H new ATOM 0 HG23 THR A 129 -5.781 -4.503 9.430 1.00 0.00 H new ATOM 2134 N GLU A 130 -1.934 -4.255 9.783 1.00 0.00 N ATOM 2135 CA GLU A 130 -1.045 -3.289 10.398 1.00 0.00 C ATOM 2136 C GLU A 130 -1.800 -1.998 10.683 1.00 0.00 C ATOM 2137 O GLU A 130 -1.947 -1.138 9.813 1.00 0.00 O ATOM 2138 CB GLU A 130 0.170 -3.022 9.508 1.00 0.00 C ATOM 2139 CG GLU A 130 1.204 -2.105 10.141 1.00 0.00 C ATOM 2140 CD GLU A 130 2.467 -2.000 9.317 1.00 0.00 C ATOM 2141 OE1 GLU A 130 2.415 -1.408 8.221 1.00 0.00 O ATOM 2142 OE2 GLU A 130 3.513 -2.517 9.757 1.00 0.00 O ATOM 0 H GLU A 130 -1.960 -4.220 8.764 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.683 -3.699 11.341 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.643 -3.972 9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.168 -2.581 8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 130 0.774 -1.112 10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 130 1.453 -2.475 11.136 1.00 0.00 H new ATOM 2149 N SER A 131 -2.330 -1.899 11.887 1.00 0.00 N ATOM 2150 CA SER A 131 -3.047 -0.713 12.311 1.00 0.00 C ATOM 2151 C SER A 131 -2.074 0.389 12.716 1.00 0.00 C ATOM 2152 O SER A 131 -1.270 0.222 13.632 1.00 0.00 O ATOM 2153 CB SER A 131 -3.978 -1.069 13.464 1.00 0.00 C ATOM 2154 OG SER A 131 -3.420 -2.102 14.263 1.00 0.00 O ATOM 0 H SER A 131 -2.276 -2.633 12.594 1.00 0.00 H new ATOM 0 HA SER A 131 -3.642 -0.337 11.479 1.00 0.00 H new ATOM 0 HB2 SER A 131 -4.158 -0.186 14.077 1.00 0.00 H new ATOM 0 HB3 SER A 131 -4.944 -1.388 13.072 1.00 0.00 H new ATOM 0 HG SER A 131 -4.032 -2.314 14.998 1.00 0.00 H new ATOM 2160 N ILE A 132 -2.155 1.515 12.027 1.00 0.00 N ATOM 2161 CA ILE A 132 -1.254 2.629 12.279 1.00 0.00 C ATOM 2162 C ILE A 132 -1.789 3.526 13.390 1.00 0.00 C ATOM 2163 O ILE A 132 -2.087 4.703 13.171 1.00 0.00 O ATOM 2164 CB ILE A 132 -1.007 3.459 10.998 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -2.322 3.705 10.246 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -0.002 2.751 10.100 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -2.180 4.622 9.049 1.00 0.00 C ATOM 0 H ILE A 132 -2.837 1.683 11.287 1.00 0.00 H new ATOM 0 HA ILE A 132 -0.302 2.207 12.600 1.00 0.00 H new ATOM 0 HB ILE A 132 -0.597 4.427 11.287 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -2.724 2.748 9.913 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -3.049 4.133 10.936 1.00 0.00 H new ATOM 0 HG21 ILE A 132 0.164 3.345 9.201 1.00 0.00 H new ATOM 0 HG22 ILE A 132 0.941 2.629 10.634 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -0.390 1.771 9.821 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -3.151 4.748 8.570 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -1.809 5.593 9.377 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -1.478 4.186 8.338 1.00 0.00 H new ATOM 2179 N GLN A 133 -1.909 2.960 14.587 1.00 0.00 N ATOM 2180 CA GLN A 133 -2.403 3.701 15.737 1.00 0.00 C ATOM 2181 C GLN A 133 -1.317 4.642 16.255 1.00 0.00 C ATOM 2182 O GLN A 133 -0.127 4.333 16.197 1.00 0.00 O ATOM 2183 CB GLN A 133 -2.875 2.746 16.842 1.00 0.00 C ATOM 2184 CG GLN A 133 -3.474 3.458 18.048 1.00 0.00 C ATOM 2185 CD GLN A 133 -4.643 4.356 17.680 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -4.460 5.528 17.341 1.00 0.00 O ATOM 2187 NE2 GLN A 133 -5.852 3.822 17.756 1.00 0.00 N ATOM 0 H GLN A 133 -1.670 1.988 14.784 1.00 0.00 H new ATOM 0 HA GLN A 133 -3.262 4.297 15.427 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -3.617 2.063 16.428 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -2.032 2.139 17.171 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -3.806 2.716 18.774 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -2.701 4.055 18.533 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -5.963 2.849 18.040 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -6.673 4.384 17.530 1.00 0.00 H new