USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 903 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 75 GLN :FLIP amide:sc= -0.0513 F(o=0.27,f=1.1) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -136:sc= 1.17 (180deg=0.249) USER MOD Set 2.1: A 77 ASN : amide:sc= 0 X(o=-0.15,f=-0.14) USER MOD Set 2.2: A 89 GLN : amide:sc= -0.148 X(o=-0.15,f=0.18) USER MOD Set 3.1: A 70 HIS : no HD1:sc= -7.42! C(o=-11!,f=-11!) USER MOD Set 3.2: A 74 CYS SG : rot -170:sc= -1.54 USER MOD Set 3.3: A 84 CYS SG : rot -139:sc= -1.75 USER MOD Set 4.1: A 62 GLN : amide:sc= 0.731 K(o=0.88,f=-0.36) USER MOD Set 4.2: B 12 SER OG : rot 180:sc= 0.149 USER MOD Set 5.1: A 46 THR OG1 : rot 180:sc= -5.4! USER MOD Set 5.2: A 60 CYS SG : rot 91:sc= -6.45! USER MOD Set 6.1: A 45 HIS : no HD1:sc= -0.488 K(o=-1,f=-1.7) USER MOD Set 6.2: A 49 CYS SG : rot 89:sc= -0.315 USER MOD Set 6.3: A 57 CYS SG : rot 160:sc= -0.198 USER MOD Set 7.1: A 22 HIS :FLIP no HE2:sc= 0.908 F(o=-4.4!,f=2.8) USER MOD Set 7.2: A 26 CYS SG : rot 150:sc= 1.21 USER MOD Set 7.3: A 31 CYS SG : rot 180:sc= 0 USER MOD Set 7.4: A 36 CYS SG : rot -160:sc= -1.68! USER MOD Set 7.5: A 40 LYS NZ :NH3+ 164:sc= 2.37 (180deg=1.04) USER MOD Set 8.1: A 35 SER OG : rot -101:sc= -0.406 USER MOD Set 8.2: B 21 THR OG1 : rot 180:sc= -0.07 USER MOD Set 9.1: A 3 GLN : amide:sc= 0.266 K(o=-0.89,f=-9.1!) USER MOD Set 9.2: B 4 GLN : amide:sc= -1.15 X(o=-0.89,f=-0.68) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 12 SER OG : rot 99:sc= 1.16 USER MOD Single : A 14 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.64) USER MOD Single : A 18 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.51) USER MOD Single : A 19 SER OG : rot 76:sc= -1.19! USER MOD Single : A 25 GLN : amide:sc= -0.0794 X(o=-0.079,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 32 SER OG : rot 49:sc= 0.199 USER MOD Single : A 37 GLN : amide:sc= -1.53! K(o=-1.5!,f=-2.6) USER MOD Single : A 38 LYS NZ :NH3+ 146:sc= 0.327 (180deg=0.0171) USER MOD Single : A 39 MET CE :methyl 174:sc= -7.61! (180deg=-8!) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.0979 F(o=-1.2,f=-0.098) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0308) USER MOD Single : A 52 LYS NZ :NH3+ -173:sc= 0.2 (180deg=-0.116!) USER MOD Single : A 53 THR OG1 : rot 180:sc=0.000381 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -143:sc= 0.4 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 3:sc= -0.204 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LEU N :NH3+ -147:sc= -0.629 (180deg=-2.21!) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 6 MET CE :methyl 138:sc= -0.141 (180deg=-0.634) USER MOD Single : B 10 MET CE :methyl -167:sc= 0 (180deg=-0.102) USER MOD Single : B 18 GLN : amide:sc= 0.421 X(o=0.42,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 22.765 -10.743 -0.176 1.00 0.00 N ATOM 2 CA ALA A 1 21.342 -10.814 0.133 1.00 0.00 C ATOM 3 C ALA A 1 20.596 -9.801 -0.701 1.00 0.00 C ATOM 4 O ALA A 1 20.832 -8.594 -0.584 1.00 0.00 O ATOM 5 CB ALA A 1 21.107 -10.549 1.607 1.00 0.00 C ATOM 0 H1 ALA A 1 23.280 -11.441 0.398 1.00 0.00 H new ATOM 0 H2 ALA A 1 22.912 -10.949 -1.185 1.00 0.00 H new ATOM 0 H3 ALA A 1 23.120 -9.789 0.038 1.00 0.00 H new ATOM 0 HA ALA A 1 20.977 -11.814 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 1 20.040 -10.606 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.636 -11.295 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 1 21.476 -9.555 1.861 1.00 0.00 H new ATOM 13 N THR A 2 19.730 -10.263 -1.563 1.00 0.00 N ATOM 14 CA THR A 2 18.977 -9.361 -2.386 1.00 0.00 C ATOM 15 C THR A 2 17.662 -9.075 -1.696 1.00 0.00 C ATOM 16 O THR A 2 17.255 -7.917 -1.529 1.00 0.00 O ATOM 17 CB THR A 2 18.653 -10.007 -3.731 1.00 0.00 C ATOM 18 OG1 THR A 2 19.772 -10.815 -4.170 1.00 0.00 O ATOM 19 CG2 THR A 2 18.367 -8.938 -4.782 1.00 0.00 C ATOM 0 H THR A 2 19.531 -11.252 -1.712 1.00 0.00 H new ATOM 0 HA THR A 2 19.562 -8.455 -2.543 1.00 0.00 H new ATOM 0 HB THR A 2 17.770 -10.634 -3.608 1.00 0.00 H new ATOM 0 HG1 THR A 2 19.558 -11.229 -5.032 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.138 -9.416 -5.734 1.00 0.00 H new ATOM 0 HG22 THR A 2 17.516 -8.335 -4.465 1.00 0.00 H new ATOM 0 HG23 THR A 2 19.242 -8.299 -4.898 1.00 0.00 H new ATOM 27 N GLN A 3 17.029 -10.139 -1.233 1.00 0.00 N ATOM 28 CA GLN A 3 15.756 -10.101 -0.671 1.00 0.00 C ATOM 29 C GLN A 3 15.729 -11.187 0.350 1.00 0.00 C ATOM 30 O GLN A 3 15.154 -12.247 0.132 1.00 0.00 O ATOM 31 CB GLN A 3 14.685 -10.383 -1.729 1.00 0.00 C ATOM 32 CG GLN A 3 14.550 -9.413 -2.877 1.00 0.00 C ATOM 33 CD GLN A 3 13.990 -8.063 -2.470 1.00 0.00 C ATOM 34 OE1 GLN A 3 14.159 -7.606 -1.343 1.00 0.00 O ATOM 35 NE2 GLN A 3 13.313 -7.426 -3.368 1.00 0.00 N ATOM 0 H GLN A 3 17.433 -11.075 -1.255 1.00 0.00 H new ATOM 0 HA GLN A 3 15.550 -9.120 -0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 3 14.881 -11.370 -2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 3 13.721 -10.437 -1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 3 15.528 -9.268 -3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 3 13.903 -9.851 -3.637 1.00 0.00 H new ATOM 0 HE21 GLN A 3 13.189 -7.831 -4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 3 12.902 -6.518 -3.149 1.00 0.00 H new ATOM 44 N SER A 4 16.401 -11.005 1.425 1.00 0.00 N ATOM 45 CA SER A 4 16.443 -12.110 2.373 1.00 0.00 C ATOM 46 C SER A 4 15.629 -11.939 3.652 1.00 0.00 C ATOM 47 O SER A 4 15.044 -12.888 4.122 1.00 0.00 O ATOM 48 CB SER A 4 17.791 -12.689 2.582 1.00 0.00 C ATOM 49 OG SER A 4 18.445 -12.933 1.332 1.00 0.00 O ATOM 0 H SER A 4 16.911 -10.161 1.684 1.00 0.00 H new ATOM 0 HA SER A 4 15.884 -12.882 1.844 1.00 0.00 H new ATOM 0 HB2 SER A 4 18.393 -12.009 3.185 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.707 -13.621 3.141 1.00 0.00 H new ATOM 0 HG SER A 4 19.333 -13.313 1.496 1.00 0.00 H new ATOM 55 N PRO A 5 15.782 -10.757 4.346 1.00 0.00 N ATOM 56 CA PRO A 5 15.008 -10.444 5.544 1.00 0.00 C ATOM 57 C PRO A 5 13.682 -10.132 4.977 1.00 0.00 C ATOM 58 O PRO A 5 12.687 -9.997 5.683 1.00 0.00 O ATOM 59 CB PRO A 5 15.669 -9.204 6.175 1.00 0.00 C ATOM 60 CG PRO A 5 17.085 -9.215 5.605 1.00 0.00 C ATOM 61 CD PRO A 5 16.868 -9.763 4.195 1.00 0.00 C ATOM 0 HA PRO A 5 14.950 -11.217 6.310 1.00 0.00 H new ATOM 0 HB2 PRO A 5 15.138 -8.290 5.910 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.676 -9.265 7.263 1.00 0.00 H new ATOM 0 HG2 PRO A 5 17.524 -8.218 5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 5 17.753 -9.849 6.189 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.587 -8.971 3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.776 -10.223 3.804 1.00 0.00 H new ATOM 69 N GLY A 6 13.698 -10.045 3.632 1.00 0.00 N ATOM 70 CA GLY A 6 12.546 -9.800 2.934 1.00 0.00 C ATOM 71 C GLY A 6 12.222 -10.168 1.539 1.00 0.00 C ATOM 72 O GLY A 6 11.564 -9.373 0.936 1.00 0.00 O ATOM 0 H GLY A 6 14.534 -10.151 3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.752 -10.244 3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 6 12.413 -8.719 2.979 1.00 0.00 H new ATOM 76 N ASP A 7 12.602 -11.237 0.787 1.00 0.00 N ATOM 77 CA ASP A 7 11.897 -11.443 -0.435 1.00 0.00 C ATOM 78 C ASP A 7 10.496 -11.721 0.064 1.00 0.00 C ATOM 79 O ASP A 7 9.563 -11.161 -0.356 1.00 0.00 O ATOM 80 CB ASP A 7 12.419 -12.659 -1.080 1.00 0.00 C ATOM 81 CG ASP A 7 11.865 -13.048 -2.416 1.00 0.00 C ATOM 82 OD1 ASP A 7 10.760 -13.623 -2.474 1.00 0.00 O ATOM 83 OD2 ASP A 7 12.583 -12.889 -3.423 1.00 0.00 O ATOM 0 H ASP A 7 13.340 -11.905 1.010 1.00 0.00 H new ATOM 0 HA ASP A 7 11.970 -10.621 -1.147 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.497 -12.541 -1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.257 -13.493 -0.397 1.00 0.00 H new ATOM 88 N SER A 8 10.430 -12.427 1.106 1.00 0.00 N ATOM 89 CA SER A 8 9.197 -12.625 1.641 1.00 0.00 C ATOM 90 C SER A 8 8.579 -11.318 2.323 1.00 0.00 C ATOM 91 O SER A 8 7.408 -11.061 2.115 1.00 0.00 O ATOM 92 CB SER A 8 9.084 -13.897 2.409 1.00 0.00 C ATOM 93 OG SER A 8 10.271 -14.110 3.166 1.00 0.00 O ATOM 0 H SER A 8 11.214 -12.866 1.589 1.00 0.00 H new ATOM 0 HA SER A 8 8.518 -12.792 0.805 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.221 -13.856 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.922 -14.731 1.727 1.00 0.00 H new ATOM 0 HG SER A 8 10.192 -14.946 3.671 1.00 0.00 H new ATOM 99 N ARG A 9 9.388 -10.459 3.085 1.00 0.00 N ATOM 100 CA ARG A 9 8.833 -9.179 3.569 1.00 0.00 C ATOM 101 C ARG A 9 8.576 -8.210 2.435 1.00 0.00 C ATOM 102 O ARG A 9 7.546 -7.603 2.380 1.00 0.00 O ATOM 103 CB ARG A 9 9.721 -8.496 4.618 1.00 0.00 C ATOM 104 CG ARG A 9 9.298 -8.664 6.063 1.00 0.00 C ATOM 105 CD ARG A 9 8.718 -10.046 6.406 1.00 0.00 C ATOM 106 NE ARG A 9 7.303 -10.193 5.969 1.00 0.00 N ATOM 107 CZ ARG A 9 6.728 -11.342 5.568 1.00 0.00 C ATOM 108 NH1 ARG A 9 7.427 -12.473 5.580 1.00 0.00 N ATOM 109 NH2 ARG A 9 5.449 -11.352 5.175 1.00 0.00 N ATOM 0 H ARG A 9 10.357 -10.643 3.345 1.00 0.00 H new ATOM 0 HA ARG A 9 7.887 -9.442 4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.735 -8.880 4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.759 -7.430 4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.160 -8.478 6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.554 -7.904 6.300 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.324 -10.819 5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.781 -10.206 7.482 1.00 0.00 H new ATOM 0 HE ARG A 9 6.722 -9.355 5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.398 -12.469 5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.992 -13.344 5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.908 -10.488 5.179 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.016 -12.224 4.872 1.00 0.00 H new ATOM 123 N ARG A 10 9.491 -8.125 1.502 1.00 0.00 N ATOM 124 CA ARG A 10 9.410 -7.130 0.446 1.00 0.00 C ATOM 125 C ARG A 10 8.445 -7.543 -0.619 1.00 0.00 C ATOM 126 O ARG A 10 7.816 -6.709 -1.170 1.00 0.00 O ATOM 127 CB ARG A 10 10.771 -6.722 -0.200 1.00 0.00 C ATOM 128 CG ARG A 10 11.764 -5.905 0.666 1.00 0.00 C ATOM 129 CD ARG A 10 12.609 -6.778 1.575 1.00 0.00 C ATOM 130 NE ARG A 10 13.636 -6.050 2.311 1.00 0.00 N ATOM 131 CZ ARG A 10 14.924 -5.942 1.940 1.00 0.00 C ATOM 132 NH1 ARG A 10 15.338 -6.455 0.790 1.00 0.00 N ATOM 133 NH2 ARG A 10 15.795 -5.313 2.713 1.00 0.00 N ATOM 0 H ARG A 10 10.308 -8.734 1.447 1.00 0.00 H new ATOM 0 HA ARG A 10 9.049 -6.237 0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.277 -7.633 -0.520 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.556 -6.144 -1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.419 -5.328 0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.207 -5.190 1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.956 -7.283 2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.087 -7.553 0.976 1.00 0.00 H new ATOM 0 HE ARG A 10 13.355 -5.586 3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.678 -6.936 0.179 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.317 -6.369 0.516 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.491 -4.906 3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.770 -5.235 2.424 1.00 0.00 H new ATOM 147 N LEU A 11 8.331 -8.825 -0.912 1.00 0.00 N ATOM 148 CA LEU A 11 7.312 -9.297 -1.844 1.00 0.00 C ATOM 149 C LEU A 11 6.004 -9.185 -1.263 1.00 0.00 C ATOM 150 O LEU A 11 5.034 -8.939 -1.945 1.00 0.00 O ATOM 151 CB LEU A 11 7.559 -10.653 -2.388 1.00 0.00 C ATOM 152 CG LEU A 11 8.670 -10.662 -3.469 1.00 0.00 C ATOM 153 CD1 LEU A 11 10.064 -10.439 -3.018 1.00 0.00 C ATOM 154 CD2 LEU A 11 8.480 -11.685 -4.526 1.00 0.00 C ATOM 0 H LEU A 11 8.925 -9.558 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 11 7.371 -8.639 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.841 -11.322 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.636 -11.044 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 11 8.500 -9.715 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.734 -10.471 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.139 -9.464 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.346 -11.217 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.299 -11.625 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.465 -12.677 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.535 -11.506 -5.040 1.00 0.00 H new ATOM 166 N SER A 12 5.988 -9.292 0.013 1.00 0.00 N ATOM 167 CA SER A 12 4.790 -9.041 0.766 1.00 0.00 C ATOM 168 C SER A 12 4.399 -7.559 0.585 1.00 0.00 C ATOM 169 O SER A 12 3.233 -7.222 0.375 1.00 0.00 O ATOM 170 CB SER A 12 4.994 -9.401 2.267 1.00 0.00 C ATOM 171 OG SER A 12 3.947 -8.978 3.126 1.00 0.00 O ATOM 0 H SER A 12 6.797 -9.555 0.576 1.00 0.00 H new ATOM 0 HA SER A 12 3.981 -9.672 0.399 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.104 -10.482 2.356 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.928 -8.956 2.609 1.00 0.00 H new ATOM 0 HG SER A 12 3.344 -9.730 3.302 1.00 0.00 H new ATOM 177 N ILE A 13 5.406 -6.697 0.528 1.00 0.00 N ATOM 178 CA ILE A 13 5.138 -5.269 0.453 1.00 0.00 C ATOM 179 C ILE A 13 4.849 -4.919 -0.915 1.00 0.00 C ATOM 180 O ILE A 13 4.029 -4.112 -1.174 1.00 0.00 O ATOM 181 CB ILE A 13 6.258 -4.339 0.775 1.00 0.00 C ATOM 182 CG1 ILE A 13 7.066 -4.740 1.872 1.00 0.00 C ATOM 183 CG2 ILE A 13 5.590 -3.105 1.198 1.00 0.00 C ATOM 184 CD1 ILE A 13 8.410 -4.125 1.823 1.00 0.00 C ATOM 0 H ILE A 13 6.393 -6.954 0.532 1.00 0.00 H new ATOM 0 HA ILE A 13 4.344 -5.145 1.189 1.00 0.00 H new ATOM 0 HB ILE A 13 6.914 -4.273 -0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.574 -4.463 2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.164 -5.826 1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.339 -2.356 1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.969 -2.730 0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.965 -3.309 2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.994 -4.459 2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.913 -4.423 0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.315 -3.040 1.849 1.00 0.00 H new ATOM 196 N GLN A 14 5.615 -5.455 -1.779 1.00 0.00 N ATOM 197 CA GLN A 14 5.412 -5.270 -3.202 1.00 0.00 C ATOM 198 C GLN A 14 3.991 -5.530 -3.537 1.00 0.00 C ATOM 199 O GLN A 14 3.433 -4.831 -4.236 1.00 0.00 O ATOM 200 CB GLN A 14 6.299 -6.166 -4.029 1.00 0.00 C ATOM 201 CG GLN A 14 7.760 -5.781 -4.067 1.00 0.00 C ATOM 202 CD GLN A 14 8.590 -6.759 -4.878 1.00 0.00 C ATOM 203 OE1 GLN A 14 8.100 -7.372 -5.821 1.00 0.00 O ATOM 204 NE2 GLN A 14 9.846 -6.920 -4.520 1.00 0.00 N ATOM 0 H GLN A 14 6.414 -6.043 -1.542 1.00 0.00 H new ATOM 0 HA GLN A 14 5.676 -4.240 -3.440 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.219 -7.183 -3.644 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.919 -6.182 -5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.860 -4.782 -4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.148 -5.734 -3.050 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.223 -6.395 -3.731 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.443 -7.570 -5.032 1.00 0.00 H new ATOM 213 N ARG A 15 3.435 -6.514 -2.950 1.00 0.00 N ATOM 214 CA ARG A 15 2.032 -6.837 -3.130 1.00 0.00 C ATOM 215 C ARG A 15 1.116 -5.891 -2.466 1.00 0.00 C ATOM 216 O ARG A 15 0.049 -5.589 -2.973 1.00 0.00 O ATOM 217 CB ARG A 15 1.797 -8.168 -2.644 1.00 0.00 C ATOM 218 CG ARG A 15 2.561 -9.107 -3.538 1.00 0.00 C ATOM 219 CD ARG A 15 2.025 -10.497 -3.429 1.00 0.00 C ATOM 220 NE ARG A 15 2.406 -11.333 -4.571 1.00 0.00 N ATOM 221 CZ ARG A 15 2.582 -12.653 -4.537 1.00 0.00 C ATOM 222 NH1 ARG A 15 2.675 -13.286 -3.376 1.00 0.00 N ATOM 223 NH2 ARG A 15 2.708 -13.335 -5.677 1.00 0.00 N ATOM 0 H ARG A 15 3.928 -7.143 -2.316 1.00 0.00 H new ATOM 0 HA ARG A 15 1.819 -6.764 -4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.129 -8.265 -1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.732 -8.402 -2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.495 -8.767 -4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.617 -9.097 -3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.391 -10.954 -2.509 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.938 -10.460 -3.356 1.00 0.00 H new ATOM 0 HE ARG A 15 2.548 -10.865 -5.466 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.612 -12.762 -2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.810 -14.297 -3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.669 -12.846 -6.571 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.843 -14.346 -5.654 1.00 0.00 H new ATOM 237 N ALA A 16 1.561 -5.402 -1.389 1.00 0.00 N ATOM 238 CA ALA A 16 0.857 -4.498 -0.562 1.00 0.00 C ATOM 239 C ALA A 16 0.777 -3.199 -1.274 1.00 0.00 C ATOM 240 O ALA A 16 -0.260 -2.649 -1.440 1.00 0.00 O ATOM 241 CB ALA A 16 1.618 -4.416 0.733 1.00 0.00 C ATOM 0 H ALA A 16 2.487 -5.631 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.164 -4.810 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.112 -3.727 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.665 -5.404 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.629 -4.057 0.539 1.00 0.00 H new ATOM 247 N ILE A 17 1.890 -2.811 -1.775 1.00 0.00 N ATOM 248 CA ILE A 17 2.067 -1.660 -2.557 1.00 0.00 C ATOM 249 C ILE A 17 1.524 -1.820 -3.942 1.00 0.00 C ATOM 250 O ILE A 17 0.883 -0.998 -4.373 1.00 0.00 O ATOM 251 CB ILE A 17 3.496 -1.314 -2.700 1.00 0.00 C ATOM 252 CG1 ILE A 17 4.065 -0.894 -1.454 1.00 0.00 C ATOM 253 CG2 ILE A 17 3.635 -0.258 -3.658 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.483 -0.759 -1.500 1.00 0.00 C ATOM 0 H ILE A 17 2.757 -3.330 -1.636 1.00 0.00 H new ATOM 0 HA ILE A 17 1.525 -0.875 -2.030 1.00 0.00 H new ATOM 0 HB ILE A 17 4.026 -2.206 -3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.625 0.060 -1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.800 -1.615 -0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.689 -0.001 -3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.241 -0.586 -4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.081 0.617 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.850 -0.438 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.932 -1.718 -1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.754 -0.017 -2.251 1.00 0.00 H new ATOM 266 N GLN A 18 1.858 -2.862 -4.649 1.00 0.00 N ATOM 267 CA GLN A 18 1.347 -3.059 -6.014 1.00 0.00 C ATOM 268 C GLN A 18 -0.117 -3.077 -5.967 1.00 0.00 C ATOM 269 O GLN A 18 -0.746 -2.621 -6.890 1.00 0.00 O ATOM 270 CB GLN A 18 1.804 -4.383 -6.628 1.00 0.00 C ATOM 271 CG GLN A 18 3.242 -4.414 -7.126 1.00 0.00 C ATOM 272 CD GLN A 18 3.669 -5.799 -7.554 1.00 0.00 C ATOM 273 OE1 GLN A 18 2.846 -6.604 -7.996 1.00 0.00 O ATOM 274 NE2 GLN A 18 4.947 -6.096 -7.443 1.00 0.00 N ATOM 0 H GLN A 18 2.481 -3.599 -4.320 1.00 0.00 H new ATOM 0 HA GLN A 18 1.734 -2.244 -6.626 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.679 -5.170 -5.885 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.144 -4.624 -7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.349 -3.727 -7.966 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.905 -4.059 -6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.601 -5.406 -7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.283 -7.016 -7.727 1.00 0.00 H new ATOM 283 N SER A 19 -0.676 -3.601 -4.901 1.00 0.00 N ATOM 284 CA SER A 19 -2.072 -3.498 -4.789 1.00 0.00 C ATOM 285 C SER A 19 -2.444 -2.142 -4.427 1.00 0.00 C ATOM 286 O SER A 19 -3.307 -1.609 -5.021 1.00 0.00 O ATOM 287 CB SER A 19 -2.672 -4.479 -3.873 1.00 0.00 C ATOM 288 OG SER A 19 -2.401 -5.778 -4.325 1.00 0.00 O ATOM 0 H SER A 19 -0.193 -4.079 -4.141 1.00 0.00 H new ATOM 0 HA SER A 19 -2.480 -3.737 -5.771 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.273 -4.343 -2.868 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.749 -4.322 -3.812 1.00 0.00 H new ATOM 0 HG SER A 19 -1.469 -6.006 -4.125 1.00 0.00 H new ATOM 294 N LEU A 20 -1.746 -1.569 -3.506 1.00 0.00 N ATOM 295 CA LEU A 20 -2.008 -0.281 -3.065 1.00 0.00 C ATOM 296 C LEU A 20 -1.887 0.785 -4.174 1.00 0.00 C ATOM 297 O LEU A 20 -2.748 1.615 -4.328 1.00 0.00 O ATOM 298 CB LEU A 20 -1.110 0.069 -1.955 1.00 0.00 C ATOM 299 CG LEU A 20 -1.543 1.150 -1.282 1.00 0.00 C ATOM 300 CD1 LEU A 20 -2.370 0.691 -0.154 1.00 0.00 C ATOM 301 CD2 LEU A 20 -0.458 2.021 -0.986 1.00 0.00 C ATOM 0 H LEU A 20 -0.957 -2.015 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.046 -0.281 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.031 -0.776 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.110 0.260 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.201 1.783 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.732 1.553 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.219 0.122 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.772 0.058 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.827 2.890 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.275 1.494 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.011 2.347 -1.915 1.00 0.00 H new ATOM 313 N VAL A 21 -0.804 0.733 -4.887 1.00 0.00 N ATOM 314 CA VAL A 21 -0.484 1.555 -5.992 1.00 0.00 C ATOM 315 C VAL A 21 -1.538 1.420 -7.027 1.00 0.00 C ATOM 316 O VAL A 21 -2.003 2.384 -7.590 1.00 0.00 O ATOM 317 CB VAL A 21 0.892 1.162 -6.625 1.00 0.00 C ATOM 318 CG1 VAL A 21 0.935 1.689 -7.988 1.00 0.00 C ATOM 319 CG2 VAL A 21 2.092 1.656 -5.805 1.00 0.00 C ATOM 0 H VAL A 21 -0.068 0.056 -4.687 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.420 2.583 -5.635 1.00 0.00 H new ATOM 0 HB VAL A 21 0.971 0.075 -6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.887 1.427 -8.450 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.119 1.260 -8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.831 2.774 -7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.017 1.352 -6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.060 2.743 -5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.052 1.224 -4.805 1.00 0.00 H new ATOM 329 N HIS A 22 -1.894 0.223 -7.256 1.00 0.00 N ATOM 330 CA HIS A 22 -2.890 -0.099 -8.220 1.00 0.00 C ATOM 331 C HIS A 22 -4.158 0.385 -7.744 1.00 0.00 C ATOM 332 O HIS A 22 -4.829 0.949 -8.431 1.00 0.00 O ATOM 333 CB HIS A 22 -2.953 -1.558 -8.404 1.00 0.00 C ATOM 334 CG HIS A 22 -3.842 -2.036 -9.523 1.00 0.00 C ATOM 335 ND1 HIS A 22 -5.138 -2.387 -9.537 1.00 0.00 N flip ATOM 336 CD2 HIS A 22 -3.395 -2.208 -10.807 1.00 0.00 C flip ATOM 337 CE1 HIS A 22 -5.453 -2.765 -10.818 1.00 0.00 C flip ATOM 338 NE2 HIS A 22 -4.377 -2.643 -11.561 1.00 0.00 N flip ATOM 0 H HIS A 22 -1.501 -0.586 -6.775 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.647 0.365 -9.176 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.943 -1.927 -8.583 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.297 -2.009 -7.473 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -5.774 -2.375 -8.739 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.388 -2.015 -11.147 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.420 -3.105 -11.157 1.00 0.00 H new ATOM 347 N ALA A 23 -4.425 0.189 -6.541 1.00 0.00 N ATOM 348 CA ALA A 23 -5.636 0.595 -5.956 1.00 0.00 C ATOM 349 C ALA A 23 -5.741 2.131 -5.940 1.00 0.00 C ATOM 350 O ALA A 23 -6.809 2.704 -6.004 1.00 0.00 O ATOM 351 CB ALA A 23 -5.701 -0.042 -4.600 1.00 0.00 C ATOM 0 H ALA A 23 -3.790 -0.278 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.502 0.267 -6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.629 0.247 -4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.668 -1.126 -4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.853 0.290 -4.001 1.00 0.00 H new ATOM 357 N ALA A 24 -4.620 2.753 -5.915 1.00 0.00 N ATOM 358 CA ALA A 24 -4.510 4.158 -6.007 1.00 0.00 C ATOM 359 C ALA A 24 -4.777 4.607 -7.417 1.00 0.00 C ATOM 360 O ALA A 24 -5.549 5.524 -7.683 1.00 0.00 O ATOM 361 CB ALA A 24 -3.098 4.485 -5.702 1.00 0.00 C ATOM 0 H ALA A 24 -3.722 2.278 -5.827 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.217 4.640 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.954 5.564 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.853 4.138 -4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.446 3.994 -6.425 1.00 0.00 H new ATOM 367 N GLN A 25 -4.117 3.939 -8.300 1.00 0.00 N ATOM 368 CA GLN A 25 -4.051 4.295 -9.666 1.00 0.00 C ATOM 369 C GLN A 25 -5.249 3.753 -10.467 1.00 0.00 C ATOM 370 O GLN A 25 -5.651 4.319 -11.491 1.00 0.00 O ATOM 371 CB GLN A 25 -2.770 3.707 -10.201 1.00 0.00 C ATOM 372 CG GLN A 25 -2.366 4.181 -11.524 1.00 0.00 C ATOM 373 CD GLN A 25 -1.452 3.189 -12.271 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.503 3.119 -13.492 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.556 2.468 -11.589 1.00 0.00 N ATOM 0 H GLN A 25 -3.589 3.096 -8.075 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.078 5.380 -9.766 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.968 3.924 -9.496 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.876 2.623 -10.239 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.257 4.367 -12.124 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.848 5.134 -11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.519 2.531 -10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.090 1.855 -12.086 1.00 0.00 H new ATOM 384 N CYS A 26 -5.800 2.690 -9.986 1.00 0.00 N ATOM 385 CA CYS A 26 -6.909 2.046 -10.572 1.00 0.00 C ATOM 386 C CYS A 26 -8.112 2.797 -10.110 1.00 0.00 C ATOM 387 O CYS A 26 -8.335 2.895 -8.899 1.00 0.00 O ATOM 388 CB CYS A 26 -7.021 0.563 -10.068 1.00 0.00 C ATOM 389 SG CYS A 26 -8.438 -0.387 -10.693 1.00 0.00 S ATOM 0 H CYS A 26 -5.469 2.233 -9.136 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.814 2.030 -11.658 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.107 0.037 -10.343 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.068 0.573 -8.979 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.120 -1.645 -10.763 1.00 0.00 H new ATOM 395 N ARG A 27 -8.903 3.317 -10.987 1.00 0.00 N ATOM 396 CA ARG A 27 -10.031 3.993 -10.500 1.00 0.00 C ATOM 397 C ARG A 27 -11.204 3.499 -11.204 1.00 0.00 C ATOM 398 O ARG A 27 -11.641 3.962 -12.237 1.00 0.00 O ATOM 399 CB ARG A 27 -9.838 5.544 -10.424 1.00 0.00 C ATOM 400 CG ARG A 27 -9.117 6.199 -11.623 1.00 0.00 C ATOM 401 CD ARG A 27 -9.999 6.328 -12.844 1.00 0.00 C ATOM 402 NE ARG A 27 -11.068 7.317 -12.630 1.00 0.00 N ATOM 403 CZ ARG A 27 -12.141 7.499 -13.410 1.00 0.00 C ATOM 404 NH1 ARG A 27 -12.341 6.736 -14.483 1.00 0.00 N ATOM 405 NH2 ARG A 27 -13.007 8.460 -13.108 1.00 0.00 N ATOM 0 H ARG A 27 -8.789 3.285 -12.000 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.194 3.765 -9.447 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.819 6.007 -10.319 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.278 5.776 -9.518 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.763 7.188 -11.331 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.237 5.608 -11.878 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.395 6.622 -13.702 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.439 5.359 -13.081 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.984 7.920 -11.811 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.673 6.002 -14.719 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.163 6.885 -15.069 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.851 9.049 -12.290 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.828 8.609 -13.694 1.00 0.00 H new ATOM 419 N ASN A 28 -11.611 2.453 -10.649 1.00 0.00 N ATOM 420 CA ASN A 28 -12.704 1.708 -11.032 1.00 0.00 C ATOM 421 C ASN A 28 -13.249 1.186 -9.749 1.00 0.00 C ATOM 422 O ASN A 28 -12.643 0.269 -9.203 1.00 0.00 O ATOM 423 CB ASN A 28 -12.152 0.588 -11.844 1.00 0.00 C ATOM 424 CG ASN A 28 -13.154 -0.184 -12.616 1.00 0.00 C ATOM 425 OD1 ASN A 28 -14.334 -0.259 -12.264 1.00 0.00 O ATOM 426 ND2 ASN A 28 -12.688 -0.835 -13.621 1.00 0.00 N ATOM 0 H ASN A 28 -11.139 2.059 -9.835 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.465 2.244 -11.599 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.415 0.992 -12.538 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.623 -0.095 -11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -13.301 -1.444 -14.163 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.705 -0.743 -13.877 1.00 0.00 H new ATOM 433 N ALA A 29 -14.285 1.718 -9.206 1.00 0.00 N ATOM 434 CA ALA A 29 -14.691 1.252 -7.897 1.00 0.00 C ATOM 435 C ALA A 29 -15.230 -0.175 -7.937 1.00 0.00 C ATOM 436 O ALA A 29 -15.219 -0.869 -6.938 1.00 0.00 O ATOM 437 CB ALA A 29 -15.641 2.211 -7.228 1.00 0.00 C ATOM 0 H ALA A 29 -14.861 2.453 -9.617 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.795 1.222 -7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.920 1.823 -6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.156 3.180 -7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.535 2.325 -7.841 1.00 0.00 H new ATOM 443 N ASN A 30 -15.626 -0.615 -9.112 1.00 0.00 N ATOM 444 CA ASN A 30 -16.157 -1.950 -9.315 1.00 0.00 C ATOM 445 C ASN A 30 -15.206 -2.819 -10.088 1.00 0.00 C ATOM 446 O ASN A 30 -15.632 -3.784 -10.739 1.00 0.00 O ATOM 447 CB ASN A 30 -17.480 -1.880 -10.022 1.00 0.00 C ATOM 448 CG ASN A 30 -18.546 -1.187 -9.188 1.00 0.00 C ATOM 449 OD1 ASN A 30 -18.501 -1.200 -7.956 1.00 0.00 O ATOM 450 ND2 ASN A 30 -19.512 -0.608 -9.822 1.00 0.00 N ATOM 0 H ASN A 30 -15.589 -0.053 -9.962 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.294 -2.401 -8.332 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.357 -1.348 -10.965 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -17.812 -2.889 -10.266 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -20.260 -0.148 -9.302 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -19.527 -0.611 -10.842 1.00 0.00 H new ATOM 457 N CYS A 31 -13.910 -2.474 -10.045 1.00 0.00 N ATOM 458 CA CYS A 31 -12.855 -3.383 -10.521 1.00 0.00 C ATOM 459 C CYS A 31 -13.071 -4.567 -9.774 1.00 0.00 C ATOM 460 O CYS A 31 -13.046 -4.464 -8.512 1.00 0.00 O ATOM 461 CB CYS A 31 -11.512 -2.918 -10.028 1.00 0.00 C ATOM 462 SG CYS A 31 -10.111 -3.994 -10.391 1.00 0.00 S ATOM 0 H CYS A 31 -13.569 -1.581 -9.689 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.877 -3.467 -11.608 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.310 -1.937 -10.458 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.571 -2.786 -8.948 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.024 -3.468 -9.910 1.00 0.00 H new ATOM 468 N SER A 32 -13.282 -5.694 -10.361 1.00 0.00 N ATOM 469 CA SER A 32 -13.492 -6.598 -9.398 1.00 0.00 C ATOM 470 C SER A 32 -12.348 -7.541 -9.183 1.00 0.00 C ATOM 471 O SER A 32 -12.210 -8.585 -9.817 1.00 0.00 O ATOM 472 CB SER A 32 -14.774 -7.382 -9.724 1.00 0.00 C ATOM 473 OG SER A 32 -14.726 -7.933 -11.046 1.00 0.00 O ATOM 0 H SER A 32 -13.306 -5.951 -11.348 1.00 0.00 H new ATOM 0 HA SER A 32 -13.595 -6.048 -8.462 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.907 -8.184 -8.998 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.638 -6.724 -9.633 1.00 0.00 H new ATOM 0 HG SER A 32 -13.870 -8.392 -11.178 1.00 0.00 H new ATOM 479 N LEU A 33 -11.479 -7.070 -8.339 1.00 0.00 N ATOM 480 CA LEU A 33 -10.953 -7.662 -7.250 1.00 0.00 C ATOM 481 C LEU A 33 -11.559 -6.809 -6.176 1.00 0.00 C ATOM 482 O LEU A 33 -11.176 -5.661 -6.118 1.00 0.00 O ATOM 483 CB LEU A 33 -9.441 -7.624 -7.125 1.00 0.00 C ATOM 484 CG LEU A 33 -8.638 -8.496 -7.954 1.00 0.00 C ATOM 485 CD1 LEU A 33 -8.097 -7.685 -9.045 1.00 0.00 C ATOM 486 CD2 LEU A 33 -7.552 -9.046 -7.092 1.00 0.00 C ATOM 0 H LEU A 33 -11.104 -6.129 -8.460 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.162 -8.732 -7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.122 -6.600 -7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.193 -7.841 -6.086 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.207 -9.323 -8.379 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.484 -8.310 -9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.917 -7.258 -9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.487 -6.881 -8.633 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.921 -9.711 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.949 -8.227 -6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.991 -9.602 -6.264 1.00 0.00 H new ATOM 498 N PRO A 34 -12.589 -7.150 -5.473 1.00 0.00 N ATOM 499 CA PRO A 34 -12.915 -6.431 -4.206 1.00 0.00 C ATOM 500 C PRO A 34 -11.744 -6.319 -3.281 1.00 0.00 C ATOM 501 O PRO A 34 -11.739 -5.547 -2.386 1.00 0.00 O ATOM 502 CB PRO A 34 -13.994 -7.253 -3.666 1.00 0.00 C ATOM 503 CG PRO A 34 -14.761 -7.515 -4.924 1.00 0.00 C ATOM 504 CD PRO A 34 -13.711 -7.925 -5.918 1.00 0.00 C ATOM 0 HA PRO A 34 -13.196 -5.389 -4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.630 -8.168 -3.200 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.586 -6.727 -2.917 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.503 -8.301 -4.782 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.298 -6.626 -5.256 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.510 -8.996 -5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.997 -7.685 -6.942 1.00 0.00 H new ATOM 512 N SER A 35 -10.805 -7.111 -3.525 1.00 0.00 N ATOM 513 CA SER A 35 -9.522 -6.988 -2.972 1.00 0.00 C ATOM 514 C SER A 35 -8.762 -5.725 -3.551 1.00 0.00 C ATOM 515 O SER A 35 -8.066 -5.045 -2.802 1.00 0.00 O ATOM 516 CB SER A 35 -8.800 -8.276 -3.192 1.00 0.00 C ATOM 517 OG SER A 35 -9.460 -9.301 -2.508 1.00 0.00 O ATOM 0 H SER A 35 -10.903 -7.912 -4.149 1.00 0.00 H new ATOM 0 HA SER A 35 -9.580 -6.807 -1.899 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.756 -8.504 -4.257 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.771 -8.193 -2.841 1.00 0.00 H new ATOM 0 HG SER A 35 -8.987 -9.494 -1.672 1.00 0.00 H new ATOM 523 N CYS A 36 -8.967 -5.350 -4.878 1.00 0.00 N ATOM 524 CA CYS A 36 -8.389 -4.137 -5.364 1.00 0.00 C ATOM 525 C CYS A 36 -9.129 -3.060 -4.652 1.00 0.00 C ATOM 526 O CYS A 36 -8.542 -2.165 -4.096 1.00 0.00 O ATOM 527 CB CYS A 36 -8.554 -3.856 -6.878 1.00 0.00 C ATOM 528 SG CYS A 36 -7.654 -2.395 -7.408 1.00 0.00 S ATOM 0 H CYS A 36 -9.511 -5.880 -5.559 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.314 -4.197 -5.194 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.205 -4.719 -7.445 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.612 -3.730 -7.108 1.00 0.00 H new ATOM 0 HG CYS A 36 -8.149 -1.964 -8.530 1.00 0.00 H new ATOM 534 N GLN A 37 -10.502 -3.238 -4.665 1.00 0.00 N ATOM 535 CA GLN A 37 -11.494 -2.392 -3.993 1.00 0.00 C ATOM 536 C GLN A 37 -11.086 -2.091 -2.688 1.00 0.00 C ATOM 537 O GLN A 37 -11.039 -0.985 -2.319 1.00 0.00 O ATOM 538 CB GLN A 37 -12.894 -3.010 -3.924 1.00 0.00 C ATOM 539 CG GLN A 37 -13.603 -3.249 -5.283 1.00 0.00 C ATOM 540 CD GLN A 37 -15.038 -3.731 -5.109 1.00 0.00 C ATOM 541 OE1 GLN A 37 -15.378 -4.400 -4.139 1.00 0.00 O ATOM 542 NE2 GLN A 37 -15.885 -3.355 -6.005 1.00 0.00 N ATOM 0 H GLN A 37 -10.935 -4.011 -5.170 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.557 -1.491 -4.604 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.822 -3.964 -3.402 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.526 -2.361 -3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.600 -2.324 -5.860 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.042 -3.985 -5.859 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.572 -2.799 -6.801 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.868 -3.613 -5.918 1.00 0.00 H new ATOM 551 N LYS A 38 -10.762 -3.061 -2.029 1.00 0.00 N ATOM 552 CA LYS A 38 -10.389 -2.988 -0.746 1.00 0.00 C ATOM 553 C LYS A 38 -9.167 -2.117 -0.478 1.00 0.00 C ATOM 554 O LYS A 38 -9.190 -1.309 0.400 1.00 0.00 O ATOM 555 CB LYS A 38 -10.121 -4.295 -0.329 1.00 0.00 C ATOM 556 CG LYS A 38 -9.297 -4.311 0.849 1.00 0.00 C ATOM 557 CD LYS A 38 -9.622 -5.366 1.697 1.00 0.00 C ATOM 558 CE LYS A 38 -9.455 -6.690 1.007 1.00 0.00 C ATOM 559 NZ LYS A 38 -9.804 -7.831 1.875 1.00 0.00 N ATOM 0 H LYS A 38 -10.749 -4.009 -2.404 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.201 -2.513 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.058 -4.813 -0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.623 -4.839 -1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.249 -4.389 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.410 -3.368 1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.988 -5.332 2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.652 -5.258 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.081 -6.712 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.422 -6.794 0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.227 -8.588 1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.945 -8.188 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.486 -7.522 2.597 1.00 0.00 H new ATOM 573 N MET A 39 -8.100 -2.377 -1.197 1.00 0.00 N ATOM 574 CA MET A 39 -6.836 -1.661 -1.027 1.00 0.00 C ATOM 575 C MET A 39 -7.050 -0.227 -1.327 1.00 0.00 C ATOM 576 O MET A 39 -6.514 0.664 -0.715 1.00 0.00 O ATOM 577 CB MET A 39 -5.833 -2.110 -2.051 1.00 0.00 C ATOM 578 CG MET A 39 -4.977 -3.238 -1.705 1.00 0.00 C ATOM 579 SD MET A 39 -3.443 -2.837 -0.843 1.00 0.00 S ATOM 580 CE MET A 39 -4.031 -1.929 0.527 1.00 0.00 C ATOM 0 H MET A 39 -8.074 -3.093 -1.923 1.00 0.00 H new ATOM 0 HA MET A 39 -6.489 -1.844 -0.010 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.374 -2.365 -2.962 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.192 -1.261 -2.288 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.550 -3.925 -1.083 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.726 -3.772 -2.622 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.203 -1.709 1.201 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.475 -0.995 0.181 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.783 -2.514 1.056 1.00 0.00 H new ATOM 590 N LYS A 40 -7.771 -0.086 -2.358 1.00 0.00 N ATOM 591 CA LYS A 40 -8.230 1.117 -2.951 1.00 0.00 C ATOM 592 C LYS A 40 -8.974 1.864 -1.888 1.00 0.00 C ATOM 593 O LYS A 40 -8.625 2.909 -1.542 1.00 0.00 O ATOM 594 CB LYS A 40 -9.173 0.647 -3.982 1.00 0.00 C ATOM 595 CG LYS A 40 -9.260 1.388 -5.199 1.00 0.00 C ATOM 596 CD LYS A 40 -10.190 0.665 -6.122 1.00 0.00 C ATOM 597 CE LYS A 40 -9.533 0.365 -7.421 1.00 0.00 C ATOM 598 NZ LYS A 40 -10.357 -0.464 -8.272 1.00 0.00 N ATOM 0 H LYS A 40 -8.098 -0.901 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.450 1.758 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.907 -0.380 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.167 0.618 -3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.625 2.396 -5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.275 1.488 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.520 -0.263 -5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.080 1.270 -6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.307 1.299 -7.936 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.583 -0.137 -7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.997 -0.426 -9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.331 -1.446 -7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.337 -0.117 -8.251 1.00 0.00 H new ATOM 612 N ARG A 41 -9.897 1.152 -1.274 1.00 0.00 N ATOM 613 CA ARG A 41 -10.748 1.556 -0.138 1.00 0.00 C ATOM 614 C ARG A 41 -9.977 1.700 1.063 1.00 0.00 C ATOM 615 O ARG A 41 -10.487 2.073 2.041 1.00 0.00 O ATOM 616 CB ARG A 41 -11.728 0.530 0.129 1.00 0.00 C ATOM 617 CG ARG A 41 -12.963 0.625 -0.704 1.00 0.00 C ATOM 618 CD ARG A 41 -13.867 -0.448 -0.292 1.00 0.00 C ATOM 619 NE ARG A 41 -14.957 -0.681 -1.238 1.00 0.00 N ATOM 620 CZ ARG A 41 -15.389 -1.902 -1.580 1.00 0.00 C ATOM 621 NH1 ARG A 41 -14.876 -2.981 -0.977 1.00 0.00 N ATOM 622 NH2 ARG A 41 -16.333 -2.040 -2.505 1.00 0.00 N ATOM 0 H ARG A 41 -10.099 0.197 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.214 2.503 -0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.269 -0.445 -0.034 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.009 0.578 1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.439 1.597 -0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.718 0.532 -1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.296 -1.369 -0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.288 -0.205 0.684 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.412 0.128 -1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.159 -2.872 -0.260 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.202 -3.913 -1.234 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.730 -1.215 -2.956 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.661 -2.970 -2.764 1.00 0.00 H new ATOM 636 N VAL A 42 -8.788 1.229 1.012 1.00 0.00 N ATOM 637 CA VAL A 42 -7.880 1.341 2.035 1.00 0.00 C ATOM 638 C VAL A 42 -7.091 2.636 1.923 1.00 0.00 C ATOM 639 O VAL A 42 -6.962 3.380 2.894 1.00 0.00 O ATOM 640 CB VAL A 42 -7.106 0.050 2.322 1.00 0.00 C ATOM 641 CG1 VAL A 42 -5.668 0.323 2.658 1.00 0.00 C ATOM 642 CG2 VAL A 42 -7.817 -0.589 3.463 1.00 0.00 C ATOM 0 H VAL A 42 -8.424 0.731 0.200 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.420 1.449 2.976 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.079 -0.599 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.155 -0.619 2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.188 0.829 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.615 0.957 3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.318 -1.522 3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.805 0.083 4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.849 -0.797 3.179 1.00 0.00 H new ATOM 652 N VAL A 43 -6.638 2.924 0.722 1.00 0.00 N ATOM 653 CA VAL A 43 -6.180 4.208 0.339 1.00 0.00 C ATOM 654 C VAL A 43 -7.281 5.177 0.639 1.00 0.00 C ATOM 655 O VAL A 43 -7.122 6.154 1.313 1.00 0.00 O ATOM 656 CB VAL A 43 -5.908 4.191 -1.188 1.00 0.00 C ATOM 657 CG1 VAL A 43 -5.727 5.561 -1.712 1.00 0.00 C ATOM 658 CG2 VAL A 43 -4.734 3.233 -1.598 1.00 0.00 C ATOM 0 H VAL A 43 -6.584 2.235 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.269 4.487 0.869 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.797 3.772 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.538 5.518 -2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.629 6.144 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.880 6.033 -1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.596 3.268 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.816 3.551 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.974 2.214 -1.296 1.00 0.00 H new ATOM 668 N GLN A 44 -8.393 4.825 0.221 1.00 0.00 N ATOM 669 CA GLN A 44 -9.508 5.621 0.359 1.00 0.00 C ATOM 670 C GLN A 44 -10.038 5.607 1.823 1.00 0.00 C ATOM 671 O GLN A 44 -10.651 6.593 2.292 1.00 0.00 O ATOM 672 CB GLN A 44 -10.495 5.210 -0.711 1.00 0.00 C ATOM 673 CG GLN A 44 -9.878 5.446 -2.094 1.00 0.00 C ATOM 674 CD GLN A 44 -9.764 6.911 -2.464 1.00 0.00 C ATOM 675 OE1 GLN A 44 -10.693 7.715 -2.015 1.00 0.00 O flip ATOM 676 NE2 GLN A 44 -8.850 7.312 -3.177 1.00 0.00 N flip ATOM 0 H GLN A 44 -8.568 3.937 -0.249 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.283 6.675 0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.758 4.159 -0.593 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.417 5.783 -0.610 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.886 4.994 -2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.482 4.936 -2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.140 6.660 -3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.800 8.297 -3.436 1.00 0.00 H new ATOM 685 N HIS A 45 -9.701 4.527 2.580 1.00 0.00 N ATOM 686 CA HIS A 45 -10.131 4.412 3.996 1.00 0.00 C ATOM 687 C HIS A 45 -9.418 5.366 4.737 1.00 0.00 C ATOM 688 O HIS A 45 -9.999 6.134 5.441 1.00 0.00 O ATOM 689 CB HIS A 45 -9.914 3.025 4.646 1.00 0.00 C ATOM 690 CG HIS A 45 -10.502 2.823 6.018 1.00 0.00 C ATOM 691 ND1 HIS A 45 -9.737 2.689 7.160 1.00 0.00 N ATOM 692 CD2 HIS A 45 -11.777 2.638 6.407 1.00 0.00 C ATOM 693 CE1 HIS A 45 -10.530 2.425 8.182 1.00 0.00 C ATOM 694 NE2 HIS A 45 -11.762 2.393 7.746 1.00 0.00 N ATOM 0 H HIS A 45 -9.146 3.742 2.241 1.00 0.00 H new ATOM 0 HA HIS A 45 -11.209 4.572 4.002 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.332 2.268 3.982 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -8.841 2.840 4.705 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -12.651 2.677 5.774 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.215 2.263 9.202 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -12.585 2.212 8.321 1.00 0.00 H new ATOM 703 N THR A 46 -8.147 5.324 4.547 1.00 0.00 N ATOM 704 CA THR A 46 -7.263 6.181 5.192 1.00 0.00 C ATOM 705 C THR A 46 -7.678 7.601 5.015 1.00 0.00 C ATOM 706 O THR A 46 -7.925 8.262 5.972 1.00 0.00 O ATOM 707 CB THR A 46 -5.756 5.935 4.773 1.00 0.00 C ATOM 708 OG1 THR A 46 -4.918 6.488 5.677 1.00 0.00 O ATOM 709 CG2 THR A 46 -5.314 6.509 3.498 1.00 0.00 C ATOM 0 H THR A 46 -7.695 4.664 3.914 1.00 0.00 H new ATOM 0 HA THR A 46 -7.310 5.953 6.257 1.00 0.00 H new ATOM 0 HB THR A 46 -5.722 4.848 4.700 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.990 6.326 5.405 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.264 6.266 3.334 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.913 6.097 2.686 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.436 7.592 3.525 1.00 0.00 H new ATOM 717 N LYS A 47 -7.881 8.024 3.817 1.00 0.00 N ATOM 718 CA LYS A 47 -8.031 9.428 3.537 1.00 0.00 C ATOM 719 C LYS A 47 -9.301 9.979 4.129 1.00 0.00 C ATOM 720 O LYS A 47 -9.347 11.134 4.552 1.00 0.00 O ATOM 721 CB LYS A 47 -8.095 9.588 2.109 1.00 0.00 C ATOM 722 CG LYS A 47 -6.903 8.978 1.389 1.00 0.00 C ATOM 723 CD LYS A 47 -6.924 9.269 -0.079 1.00 0.00 C ATOM 724 CE LYS A 47 -5.832 10.224 -0.368 1.00 0.00 C ATOM 725 NZ LYS A 47 -5.865 10.728 -1.762 1.00 0.00 N ATOM 0 H LYS A 47 -7.949 7.418 2.999 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.188 9.964 3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.011 9.128 1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.152 10.650 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.981 9.366 1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.899 7.899 1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.790 8.351 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.886 9.690 -0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.900 11.067 0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.873 9.739 -0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.079 11.393 -1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.772 9.930 -2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.767 11.216 -1.934 1.00 0.00 H new ATOM 739 N GLY A 48 -10.335 9.168 4.136 1.00 0.00 N ATOM 740 CA GLY A 48 -11.544 9.586 4.773 1.00 0.00 C ATOM 741 C GLY A 48 -11.452 9.375 6.265 1.00 0.00 C ATOM 742 O GLY A 48 -12.264 9.892 7.030 1.00 0.00 O ATOM 0 H GLY A 48 -10.357 8.239 3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.731 10.638 4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.387 9.025 4.371 1.00 0.00 H new ATOM 746 N CYS A 49 -10.463 8.624 6.673 1.00 0.00 N ATOM 747 CA CYS A 49 -10.284 8.281 8.067 1.00 0.00 C ATOM 748 C CYS A 49 -9.285 9.161 8.750 1.00 0.00 C ATOM 749 O CYS A 49 -8.167 8.805 8.746 1.00 0.00 O ATOM 750 CB CYS A 49 -9.938 6.755 8.319 1.00 0.00 C ATOM 751 SG CYS A 49 -11.374 5.678 8.196 1.00 0.00 S ATOM 0 H CYS A 49 -9.756 8.231 6.051 1.00 0.00 H new ATOM 0 HA CYS A 49 -11.262 8.458 8.514 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -9.188 6.434 7.596 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.494 6.648 9.309 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.526 5.296 6.963 1.00 0.00 H new ATOM 757 N LYS A 50 -9.702 10.283 9.374 1.00 0.00 N ATOM 758 CA LYS A 50 -8.788 11.220 10.010 1.00 0.00 C ATOM 759 C LYS A 50 -8.023 10.542 11.129 1.00 0.00 C ATOM 760 O LYS A 50 -6.984 11.005 11.590 1.00 0.00 O ATOM 761 CB LYS A 50 -9.542 12.453 10.565 1.00 0.00 C ATOM 762 CG LYS A 50 -10.264 13.259 9.469 1.00 0.00 C ATOM 763 CD LYS A 50 -11.047 14.476 10.001 1.00 0.00 C ATOM 764 CE LYS A 50 -10.205 15.589 10.644 1.00 0.00 C ATOM 765 NZ LYS A 50 -9.248 16.154 9.665 1.00 0.00 N ATOM 0 H LYS A 50 -10.683 10.553 9.444 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.085 11.560 9.250 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.271 12.124 11.306 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.835 13.103 11.080 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.529 13.602 8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.952 12.599 8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.614 14.907 9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.771 14.124 10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.859 16.377 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.663 15.192 11.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.761 16.970 10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.549 15.429 9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.762 16.460 8.814 1.00 0.00 H new ATOM 779 N ARG A 51 -8.529 9.334 11.513 1.00 0.00 N ATOM 780 CA ARG A 51 -8.065 8.431 12.412 1.00 0.00 C ATOM 781 C ARG A 51 -6.839 7.689 11.925 1.00 0.00 C ATOM 782 O ARG A 51 -6.295 6.870 12.690 1.00 0.00 O ATOM 783 CB ARG A 51 -9.125 7.565 13.085 1.00 0.00 C ATOM 784 CG ARG A 51 -10.163 8.332 13.905 1.00 0.00 C ATOM 785 CD ARG A 51 -9.588 8.923 15.187 1.00 0.00 C ATOM 786 NE ARG A 51 -10.599 9.669 15.927 1.00 0.00 N ATOM 787 CZ ARG A 51 -10.663 9.778 17.258 1.00 0.00 C ATOM 788 NH1 ARG A 51 -9.814 9.106 18.040 1.00 0.00 N ATOM 789 NH2 ARG A 51 -11.591 10.545 17.810 1.00 0.00 N ATOM 0 H ARG A 51 -9.395 8.998 11.092 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.715 9.035 13.249 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.643 6.990 12.318 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.626 6.849 13.738 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.579 9.134 13.296 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.986 7.663 14.157 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.192 8.123 15.813 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.753 9.580 14.944 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.317 10.148 15.384 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.106 8.501 17.623 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.873 9.198 19.054 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.253 11.049 17.220 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.644 10.631 18.825 1.00 0.00 H new ATOM 803 N LYS A 52 -6.422 7.989 10.649 1.00 0.00 N ATOM 804 CA LYS A 52 -5.349 7.321 9.977 1.00 0.00 C ATOM 805 C LYS A 52 -4.226 7.083 10.882 1.00 0.00 C ATOM 806 O LYS A 52 -3.970 5.934 11.289 1.00 0.00 O ATOM 807 CB LYS A 52 -4.766 8.265 8.886 1.00 0.00 C ATOM 808 CG LYS A 52 -5.566 8.517 7.723 1.00 0.00 C ATOM 809 CD LYS A 52 -4.810 9.465 6.761 1.00 0.00 C ATOM 810 CE LYS A 52 -5.439 9.548 5.522 1.00 0.00 C ATOM 811 NZ LYS A 52 -4.827 10.534 4.607 1.00 0.00 N ATOM 0 H LYS A 52 -6.856 8.720 10.086 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.752 6.389 9.580 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.546 9.224 9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.815 7.847 8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.795 7.579 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.517 8.963 8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.746 10.459 7.204 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.788 9.109 6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.420 8.566 5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.487 9.808 5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.414 10.627 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.760 11.456 5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.875 10.214 4.338 1.00 0.00 H new ATOM 825 N THR A 53 -3.545 8.101 11.213 1.00 0.00 N ATOM 826 CA THR A 53 -2.691 8.047 12.187 1.00 0.00 C ATOM 827 C THR A 53 -3.233 8.490 13.557 1.00 0.00 C ATOM 828 O THR A 53 -2.765 8.004 14.579 1.00 0.00 O ATOM 829 CB THR A 53 -1.278 8.432 11.767 1.00 0.00 C ATOM 830 OG1 THR A 53 -1.338 9.662 11.018 1.00 0.00 O ATOM 831 CG2 THR A 53 -0.729 7.300 10.852 1.00 0.00 C ATOM 0 H THR A 53 -3.613 9.010 10.756 1.00 0.00 H new ATOM 0 HA THR A 53 -2.540 6.996 12.433 1.00 0.00 H new ATOM 0 HB THR A 53 -0.634 8.565 12.636 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.434 9.922 10.743 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.284 7.548 10.534 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.716 6.360 11.404 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.369 7.198 9.976 1.00 0.00 H new ATOM 839 N ASN A 54 -4.310 9.408 13.564 1.00 0.00 N ATOM 840 CA ASN A 54 -4.745 10.050 14.829 1.00 0.00 C ATOM 841 C ASN A 54 -5.095 9.037 15.901 1.00 0.00 C ATOM 842 O ASN A 54 -4.637 9.136 17.039 1.00 0.00 O ATOM 843 CB ASN A 54 -5.951 10.954 14.615 1.00 0.00 C ATOM 844 CG ASN A 54 -6.222 11.880 15.772 1.00 0.00 C ATOM 845 OD1 ASN A 54 -6.919 11.527 16.719 1.00 0.00 O ATOM 846 ND2 ASN A 54 -5.727 13.064 15.677 1.00 0.00 N ATOM 0 H ASN A 54 -4.841 9.682 12.738 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.893 10.642 15.163 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.795 11.547 13.714 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.832 10.336 14.441 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.909 13.753 16.407 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.153 13.314 14.872 1.00 0.00 H new ATOM 853 N GLY A 55 -5.848 8.036 15.525 1.00 0.00 N ATOM 854 CA GLY A 55 -6.337 7.104 16.492 1.00 0.00 C ATOM 855 C GLY A 55 -5.722 5.751 16.379 1.00 0.00 C ATOM 856 O GLY A 55 -6.160 4.825 17.051 1.00 0.00 O ATOM 0 H GLY A 55 -6.131 7.851 14.563 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.149 7.497 17.491 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.418 7.013 16.383 1.00 0.00 H new ATOM 860 N GLY A 56 -4.705 5.621 15.539 1.00 0.00 N ATOM 861 CA GLY A 56 -4.094 4.365 15.351 1.00 0.00 C ATOM 862 C GLY A 56 -4.984 3.414 14.723 1.00 0.00 C ATOM 863 O GLY A 56 -5.208 2.329 15.246 1.00 0.00 O ATOM 0 H GLY A 56 -4.305 6.382 14.990 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.201 4.485 14.737 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.768 3.974 16.315 1.00 0.00 H new ATOM 867 N CYS A 57 -5.515 3.789 13.622 1.00 0.00 N ATOM 868 CA CYS A 57 -6.304 2.855 12.911 1.00 0.00 C ATOM 869 C CYS A 57 -5.366 2.327 11.900 1.00 0.00 C ATOM 870 O CYS A 57 -5.316 2.901 10.786 1.00 0.00 O ATOM 871 CB CYS A 57 -7.549 3.515 12.220 1.00 0.00 C ATOM 872 SG CYS A 57 -8.647 2.375 11.335 1.00 0.00 S ATOM 0 H CYS A 57 -5.423 4.713 13.199 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.725 2.093 13.567 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.131 4.035 12.980 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.195 4.270 11.518 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.814 2.928 11.181 1.00 0.00 H new ATOM 878 N PRO A 58 -4.478 1.301 12.202 1.00 0.00 N ATOM 879 CA PRO A 58 -3.448 1.266 11.229 1.00 0.00 C ATOM 880 C PRO A 58 -3.730 0.414 9.991 1.00 0.00 C ATOM 881 O PRO A 58 -2.923 -0.433 9.624 1.00 0.00 O ATOM 882 CB PRO A 58 -2.632 0.220 12.039 1.00 0.00 C ATOM 883 CG PRO A 58 -3.738 -0.739 12.365 1.00 0.00 C ATOM 884 CD PRO A 58 -4.719 0.105 12.964 1.00 0.00 C ATOM 0 HA PRO A 58 -3.131 2.256 10.902 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.836 -0.239 11.453 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.168 0.645 12.929 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.121 -1.234 11.473 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.407 -1.522 13.047 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.733 -0.275 12.842 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.558 0.246 14.033 1.00 0.00 H new ATOM 892 N ILE A 59 -4.397 0.986 9.164 1.00 0.00 N ATOM 893 CA ILE A 59 -4.453 0.706 7.877 1.00 0.00 C ATOM 894 C ILE A 59 -3.644 1.585 7.189 1.00 0.00 C ATOM 895 O ILE A 59 -2.758 1.231 6.645 1.00 0.00 O ATOM 896 CB ILE A 59 -5.841 0.429 7.431 1.00 0.00 C ATOM 897 CG1 ILE A 59 -6.106 0.575 6.008 1.00 0.00 C ATOM 898 CG2 ILE A 59 -6.938 0.919 8.338 1.00 0.00 C ATOM 899 CD1 ILE A 59 -6.459 1.980 5.524 1.00 0.00 C ATOM 0 H ILE A 59 -4.999 1.771 9.414 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.009 -0.256 7.621 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.884 -0.652 7.564 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.227 0.236 5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.925 -0.094 5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.907 0.660 7.910 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.837 0.451 9.317 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.866 2.001 8.444 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.634 1.961 4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.360 2.324 6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.635 2.659 5.745 1.00 0.00 H new ATOM 911 N CYS A 60 -3.993 2.832 7.446 1.00 0.00 N ATOM 912 CA CYS A 60 -3.377 4.101 7.088 1.00 0.00 C ATOM 913 C CYS A 60 -2.035 4.186 7.603 1.00 0.00 C ATOM 914 O CYS A 60 -1.256 4.882 7.112 1.00 0.00 O ATOM 915 CB CYS A 60 -4.095 5.111 7.931 1.00 0.00 C ATOM 916 SG CYS A 60 -5.890 4.817 8.015 1.00 0.00 S ATOM 0 H CYS A 60 -4.839 3.003 7.990 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.405 4.230 6.006 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.682 5.095 8.939 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.914 6.108 7.528 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.157 4.050 9.030 1.00 0.00 H new ATOM 922 N LYS A 61 -1.855 3.602 8.692 1.00 0.00 N ATOM 923 CA LYS A 61 -0.646 3.630 9.324 1.00 0.00 C ATOM 924 C LYS A 61 0.195 2.644 8.734 1.00 0.00 C ATOM 925 O LYS A 61 1.306 2.950 8.379 1.00 0.00 O ATOM 926 CB LYS A 61 -0.788 3.399 10.720 1.00 0.00 C ATOM 927 CG LYS A 61 0.443 3.684 11.440 1.00 0.00 C ATOM 928 CD LYS A 61 0.351 3.054 12.754 1.00 0.00 C ATOM 929 CE LYS A 61 -0.919 3.393 13.570 1.00 0.00 C ATOM 930 NZ LYS A 61 -0.746 2.932 14.969 1.00 0.00 N ATOM 0 H LYS A 61 -2.576 3.073 9.182 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.200 4.618 9.207 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.592 4.022 11.112 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.077 2.362 10.890 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.303 3.299 10.892 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.585 4.760 11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.399 1.973 12.623 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.225 3.344 13.338 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.101 4.468 13.550 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.790 2.914 13.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.600 3.160 15.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.592 1.903 14.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.075 3.409 15.393 1.00 0.00 H new ATOM 944 N GLN A 62 -0.323 1.431 8.572 1.00 0.00 N ATOM 945 CA GLN A 62 0.488 0.493 7.914 1.00 0.00 C ATOM 946 C GLN A 62 0.556 0.766 6.414 1.00 0.00 C ATOM 947 O GLN A 62 1.437 0.360 5.787 1.00 0.00 O ATOM 948 CB GLN A 62 0.145 -0.889 8.335 1.00 0.00 C ATOM 949 CG GLN A 62 0.350 -1.036 9.844 1.00 0.00 C ATOM 950 CD GLN A 62 -0.061 -2.386 10.344 1.00 0.00 C ATOM 951 OE1 GLN A 62 -1.209 -2.582 10.742 1.00 0.00 O ATOM 952 NE2 GLN A 62 0.837 -3.322 10.361 1.00 0.00 N ATOM 0 H GLN A 62 -1.244 1.115 8.875 1.00 0.00 H new ATOM 0 HA GLN A 62 1.526 0.607 8.227 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.890 -1.112 8.076 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.769 -1.607 7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.400 -0.866 10.084 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.224 -0.268 10.363 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.780 -3.130 10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.600 -4.250 10.711 1.00 0.00 H new ATOM 961 N LEU A 63 -0.397 1.500 5.930 1.00 0.00 N ATOM 962 CA LEU A 63 -0.477 2.099 4.606 1.00 0.00 C ATOM 963 C LEU A 63 0.432 3.293 4.466 1.00 0.00 C ATOM 964 O LEU A 63 1.000 3.417 3.519 1.00 0.00 O ATOM 965 CB LEU A 63 -1.897 2.458 4.314 1.00 0.00 C ATOM 966 CG LEU A 63 -2.191 3.413 3.250 1.00 0.00 C ATOM 967 CD1 LEU A 63 -1.610 2.969 1.993 1.00 0.00 C ATOM 968 CD2 LEU A 63 -3.602 3.446 3.101 1.00 0.00 C ATOM 0 H LEU A 63 -1.219 1.724 6.491 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.132 1.368 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.426 1.534 4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.331 2.850 5.234 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.780 4.391 3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.839 3.693 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.529 2.882 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.026 1.999 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.868 4.150 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.963 2.452 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.060 3.761 4.039 1.00 0.00 H new ATOM 980 N ILE A 64 0.486 4.207 5.396 1.00 0.00 N ATOM 981 CA ILE A 64 1.547 5.243 5.398 1.00 0.00 C ATOM 982 C ILE A 64 2.864 4.556 5.419 1.00 0.00 C ATOM 983 O ILE A 64 3.754 4.922 4.716 1.00 0.00 O ATOM 984 CB ILE A 64 1.470 6.190 6.653 1.00 0.00 C ATOM 985 CG1 ILE A 64 0.435 7.304 6.530 1.00 0.00 C ATOM 986 CG2 ILE A 64 2.818 6.628 7.233 1.00 0.00 C ATOM 987 CD1 ILE A 64 0.484 8.365 7.616 1.00 0.00 C ATOM 0 H ILE A 64 -0.176 4.277 6.169 1.00 0.00 H new ATOM 0 HA ILE A 64 1.413 5.858 4.508 1.00 0.00 H new ATOM 0 HB ILE A 64 1.077 5.540 7.435 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.565 7.792 5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.558 6.855 6.530 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.651 7.277 8.093 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.382 5.749 7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.382 7.170 6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.292 9.108 7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.320 7.899 8.588 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.460 8.850 7.607 1.00 0.00 H new ATOM 999 N ALA A 65 2.959 3.588 6.273 1.00 0.00 N ATOM 1000 CA ALA A 65 4.092 2.759 6.368 1.00 0.00 C ATOM 1001 C ALA A 65 4.374 2.199 4.996 1.00 0.00 C ATOM 1002 O ALA A 65 5.447 2.377 4.431 1.00 0.00 O ATOM 1003 CB ALA A 65 3.769 1.642 7.316 1.00 0.00 C ATOM 0 H ALA A 65 2.222 3.355 6.938 1.00 0.00 H new ATOM 0 HA ALA A 65 4.962 3.308 6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.632 0.982 7.409 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.521 2.055 8.294 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.919 1.076 6.935 1.00 0.00 H new ATOM 1009 N LEU A 66 3.351 1.622 4.465 1.00 0.00 N ATOM 1010 CA LEU A 66 3.337 1.027 3.207 1.00 0.00 C ATOM 1011 C LEU A 66 3.631 1.997 2.029 1.00 0.00 C ATOM 1012 O LEU A 66 4.604 1.830 1.285 1.00 0.00 O ATOM 1013 CB LEU A 66 2.047 0.248 3.026 1.00 0.00 C ATOM 1014 CG LEU A 66 1.713 -0.075 1.614 1.00 0.00 C ATOM 1015 CD1 LEU A 66 2.638 -1.047 1.168 1.00 0.00 C ATOM 1016 CD2 LEU A 66 0.298 -0.537 1.327 1.00 0.00 C ATOM 0 H LEU A 66 2.452 1.559 4.943 1.00 0.00 H new ATOM 0 HA LEU A 66 4.176 0.332 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.117 -0.682 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.227 0.822 3.457 1.00 0.00 H new ATOM 0 HG LEU A 66 1.779 0.868 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.421 -1.308 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.649 -0.646 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.558 -1.938 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.190 -0.738 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.091 -1.446 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.406 0.241 1.622 1.00 0.00 H new ATOM 1028 N ALA A 67 2.783 2.947 1.865 1.00 0.00 N ATOM 1029 CA ALA A 67 2.860 3.933 0.892 1.00 0.00 C ATOM 1030 C ALA A 67 4.152 4.712 0.987 1.00 0.00 C ATOM 1031 O ALA A 67 4.760 5.022 -0.037 1.00 0.00 O ATOM 1032 CB ALA A 67 1.638 4.825 0.978 1.00 0.00 C ATOM 0 H ALA A 67 1.962 3.048 2.461 1.00 0.00 H new ATOM 0 HA ALA A 67 2.869 3.462 -0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.698 5.600 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.740 4.228 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.595 5.290 1.963 1.00 0.00 H new ATOM 1038 N ALA A 68 4.592 5.033 2.195 1.00 0.00 N ATOM 1039 CA ALA A 68 5.804 5.770 2.339 1.00 0.00 C ATOM 1040 C ALA A 68 7.046 4.970 2.113 1.00 0.00 C ATOM 1041 O ALA A 68 7.972 5.501 1.528 1.00 0.00 O ATOM 1042 CB ALA A 68 5.879 6.645 3.572 1.00 0.00 C ATOM 0 H ALA A 68 4.124 4.791 3.069 1.00 0.00 H new ATOM 0 HA ALA A 68 5.759 6.472 1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.837 7.164 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.071 7.376 3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.783 6.026 4.464 1.00 0.00 H new ATOM 1048 N TYR A 69 7.126 3.689 2.547 1.00 0.00 N ATOM 1049 CA TYR A 69 8.294 2.947 2.159 1.00 0.00 C ATOM 1050 C TYR A 69 8.283 2.672 0.681 1.00 0.00 C ATOM 1051 O TYR A 69 9.337 2.491 0.056 1.00 0.00 O ATOM 1052 CB TYR A 69 8.703 1.741 3.054 1.00 0.00 C ATOM 1053 CG TYR A 69 7.788 0.617 3.365 1.00 0.00 C ATOM 1054 CD1 TYR A 69 6.719 0.294 2.631 1.00 0.00 C ATOM 1055 CD2 TYR A 69 8.048 -0.121 4.504 1.00 0.00 C ATOM 1056 CE1 TYR A 69 5.908 -0.721 3.029 1.00 0.00 C ATOM 1057 CE2 TYR A 69 7.259 -1.134 4.892 1.00 0.00 C ATOM 1058 CZ TYR A 69 6.184 -1.430 4.161 1.00 0.00 C ATOM 1059 OH TYR A 69 5.356 -2.424 4.560 1.00 0.00 O ATOM 0 H TYR A 69 6.440 3.199 3.121 1.00 0.00 H new ATOM 0 HA TYR A 69 9.133 3.611 2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.588 1.301 2.594 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.016 2.159 4.011 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.500 0.838 1.724 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.914 0.126 5.101 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.036 -0.969 2.443 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.491 -1.700 5.782 1.00 0.00 H new ATOM 0 HH TYR A 69 5.295 -2.426 5.538 1.00 0.00 H new ATOM 1069 N HIS A 70 7.074 2.666 0.124 1.00 0.00 N ATOM 1070 CA HIS A 70 6.904 2.646 -1.337 1.00 0.00 C ATOM 1071 C HIS A 70 7.549 3.855 -1.908 1.00 0.00 C ATOM 1072 O HIS A 70 8.384 3.747 -2.725 1.00 0.00 O ATOM 1073 CB HIS A 70 5.429 2.687 -1.814 1.00 0.00 C ATOM 1074 CG HIS A 70 5.283 2.714 -3.319 1.00 0.00 C ATOM 1075 ND1 HIS A 70 5.852 1.781 -4.168 1.00 0.00 N ATOM 1076 CD2 HIS A 70 4.632 3.591 -4.116 1.00 0.00 C ATOM 1077 CE1 HIS A 70 5.545 2.085 -5.412 1.00 0.00 C ATOM 1078 NE2 HIS A 70 4.811 3.178 -5.403 1.00 0.00 N ATOM 0 H HIS A 70 6.201 2.675 0.652 1.00 0.00 H new ATOM 0 HA HIS A 70 7.345 1.706 -1.668 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.904 1.816 -1.421 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.944 3.568 -1.394 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.074 4.458 -3.793 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.844 1.532 -6.290 1.00 0.00 H new ATOM 0 HE2 HIS A 70 4.435 3.643 -6.229 1.00 0.00 H new ATOM 1087 N ALA A 71 7.088 4.987 -1.459 1.00 0.00 N ATOM 1088 CA ALA A 71 7.530 6.300 -1.874 1.00 0.00 C ATOM 1089 C ALA A 71 9.003 6.393 -1.849 1.00 0.00 C ATOM 1090 O ALA A 71 9.643 6.696 -2.842 1.00 0.00 O ATOM 1091 CB ALA A 71 7.001 7.244 -0.875 1.00 0.00 C ATOM 0 H ALA A 71 6.352 5.027 -0.754 1.00 0.00 H new ATOM 0 HA ALA A 71 7.187 6.510 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.304 8.258 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.913 7.183 -0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.394 6.990 0.109 1.00 0.00 H new ATOM 1097 N LYS A 72 9.506 6.092 -0.714 1.00 0.00 N ATOM 1098 CA LYS A 72 10.897 6.110 -0.428 1.00 0.00 C ATOM 1099 C LYS A 72 11.734 5.354 -1.519 1.00 0.00 C ATOM 1100 O LYS A 72 12.772 5.847 -1.963 1.00 0.00 O ATOM 1101 CB LYS A 72 11.121 5.518 0.938 1.00 0.00 C ATOM 1102 CG LYS A 72 11.071 6.491 2.082 1.00 0.00 C ATOM 1103 CD LYS A 72 10.497 5.751 3.235 1.00 0.00 C ATOM 1104 CE LYS A 72 10.557 6.466 4.552 1.00 0.00 C ATOM 1105 NZ LYS A 72 9.835 7.761 4.582 1.00 0.00 N ATOM 0 H LYS A 72 8.935 5.812 0.084 1.00 0.00 H new ATOM 0 HA LYS A 72 11.243 7.144 -0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.370 4.746 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.093 5.025 0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.067 6.865 2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.457 7.356 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.455 5.519 3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.022 4.800 3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.144 5.816 5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.602 6.641 4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.927 8.188 5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.242 8.402 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.829 7.603 4.370 1.00 0.00 H new ATOM 1119 N HIS A 73 11.242 4.182 -1.972 1.00 0.00 N ATOM 1120 CA HIS A 73 11.952 3.409 -3.055 1.00 0.00 C ATOM 1121 C HIS A 73 11.364 3.613 -4.515 1.00 0.00 C ATOM 1122 O HIS A 73 12.129 3.606 -5.470 1.00 0.00 O ATOM 1123 CB HIS A 73 12.099 1.882 -2.706 1.00 0.00 C ATOM 1124 CG HIS A 73 12.991 1.093 -3.649 1.00 0.00 C ATOM 1125 ND1 HIS A 73 14.341 0.900 -3.438 1.00 0.00 N ATOM 1126 CD2 HIS A 73 12.698 0.406 -4.776 1.00 0.00 C ATOM 1127 CE1 HIS A 73 14.827 0.133 -4.391 1.00 0.00 C ATOM 1128 NE2 HIS A 73 13.856 -0.180 -5.210 1.00 0.00 N ATOM 0 H HIS A 73 10.385 3.747 -1.629 1.00 0.00 H new ATOM 0 HA HIS A 73 12.949 3.848 -3.082 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.495 1.792 -1.694 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.108 1.428 -2.702 1.00 0.00 H new ATOM 0 HD2 HIS A 73 11.729 0.333 -5.247 1.00 0.00 H new ATOM 0 HE1 HIS A 73 15.855 -0.185 -4.482 1.00 0.00 H new ATOM 0 HE2 HIS A 73 13.947 -0.767 -6.039 1.00 0.00 H new ATOM 1137 N CYS A 74 10.026 3.793 -4.680 1.00 0.00 N ATOM 1138 CA CYS A 74 9.421 4.056 -5.994 1.00 0.00 C ATOM 1139 C CYS A 74 10.018 5.383 -6.508 1.00 0.00 C ATOM 1140 O CYS A 74 9.784 6.417 -5.878 1.00 0.00 O ATOM 1141 CB CYS A 74 7.806 4.242 -5.939 1.00 0.00 C ATOM 1142 SG CYS A 74 7.039 4.343 -7.567 1.00 0.00 S ATOM 0 H CYS A 74 9.354 3.759 -3.913 1.00 0.00 H new ATOM 0 HA CYS A 74 9.631 3.199 -6.634 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.370 3.406 -5.392 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.571 5.147 -5.379 1.00 0.00 H new ATOM 0 HG CYS A 74 5.795 4.698 -7.439 1.00 0.00 H new ATOM 1148 N GLN A 75 10.831 5.412 -7.567 1.00 0.00 N ATOM 1149 CA GLN A 75 11.278 6.710 -8.007 1.00 0.00 C ATOM 1150 C GLN A 75 10.281 7.190 -9.043 1.00 0.00 C ATOM 1151 O GLN A 75 10.434 6.920 -10.245 1.00 0.00 O ATOM 1152 CB GLN A 75 12.731 6.715 -8.555 1.00 0.00 C ATOM 1153 CG GLN A 75 13.768 6.199 -7.554 1.00 0.00 C ATOM 1154 CD GLN A 75 13.936 7.099 -6.322 1.00 0.00 C ATOM 1155 OE1 GLN A 75 13.117 6.934 -5.287 1.00 0.00 O flip ATOM 1156 NE2 GLN A 75 14.779 7.993 -6.326 1.00 0.00 N flip ATOM 0 H GLN A 75 11.167 4.607 -8.096 1.00 0.00 H new ATOM 0 HA GLN A 75 11.316 7.387 -7.154 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.772 6.102 -9.456 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.996 7.731 -8.848 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.479 5.200 -7.227 1.00 0.00 H new ATOM 0 HG3 GLN A 75 14.730 6.104 -8.057 1.00 0.00 H new ATOM 0 HE21 GLN A 75 15.399 8.106 -7.128 1.00 0.00 H new ATOM 0 HE22 GLN A 75 14.859 8.623 -5.527 1.00 0.00 H new ATOM 1165 N GLU A 76 9.254 7.887 -8.585 1.00 0.00 N ATOM 1166 CA GLU A 76 8.149 8.256 -9.404 1.00 0.00 C ATOM 1167 C GLU A 76 7.495 9.438 -8.790 1.00 0.00 C ATOM 1168 O GLU A 76 7.464 9.566 -7.566 1.00 0.00 O ATOM 1169 CB GLU A 76 7.140 7.086 -9.551 1.00 0.00 C ATOM 1170 CG GLU A 76 5.860 7.462 -10.282 1.00 0.00 C ATOM 1171 CD GLU A 76 6.115 7.856 -11.707 1.00 0.00 C ATOM 1172 OE1 GLU A 76 6.531 9.008 -11.935 1.00 0.00 O ATOM 1173 OE2 GLU A 76 5.876 7.046 -12.621 1.00 0.00 O ATOM 0 H GLU A 76 9.179 8.208 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 76 8.502 8.499 -10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.624 6.267 -10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.884 6.714 -8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.169 6.619 -10.258 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.375 8.287 -9.760 1.00 0.00 H new ATOM 1180 N ASN A 77 7.029 10.313 -9.614 1.00 0.00 N ATOM 1181 CA ASN A 77 6.441 11.494 -9.140 1.00 0.00 C ATOM 1182 C ASN A 77 4.982 11.586 -9.584 1.00 0.00 C ATOM 1183 O ASN A 77 4.257 12.534 -9.250 1.00 0.00 O ATOM 1184 CB ASN A 77 7.311 12.666 -9.538 1.00 0.00 C ATOM 1185 CG ASN A 77 7.016 13.947 -8.762 1.00 0.00 C ATOM 1186 OD1 ASN A 77 7.596 14.190 -7.704 1.00 0.00 O ATOM 1187 ND2 ASN A 77 6.167 14.791 -9.298 1.00 0.00 N ATOM 0 H ASN A 77 7.050 10.220 -10.630 1.00 0.00 H new ATOM 0 HA ASN A 77 6.393 11.503 -8.051 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.357 12.396 -9.391 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.179 12.859 -10.603 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.971 15.679 -8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 77 5.703 14.559 -10.176 1.00 0.00 H new ATOM 1194 N LYS A 78 4.549 10.602 -10.371 1.00 0.00 N ATOM 1195 CA LYS A 78 3.157 10.521 -10.772 1.00 0.00 C ATOM 1196 C LYS A 78 2.272 10.291 -9.592 1.00 0.00 C ATOM 1197 O LYS A 78 2.715 9.780 -8.562 1.00 0.00 O ATOM 1198 CB LYS A 78 2.914 9.529 -11.882 1.00 0.00 C ATOM 1199 CG LYS A 78 2.638 10.210 -13.219 1.00 0.00 C ATOM 1200 CD LYS A 78 3.849 10.969 -13.755 1.00 0.00 C ATOM 1201 CE LYS A 78 4.928 10.020 -14.238 1.00 0.00 C ATOM 1202 NZ LYS A 78 6.175 10.715 -14.609 1.00 0.00 N ATOM 0 H LYS A 78 5.142 9.858 -10.738 1.00 0.00 H new ATOM 0 HA LYS A 78 2.894 11.490 -11.196 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.783 8.878 -11.981 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.068 8.894 -11.619 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.333 9.459 -13.948 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.803 10.901 -13.104 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.540 11.618 -14.574 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.252 11.613 -12.973 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.142 9.292 -13.456 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.557 9.463 -15.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.877 10.019 -14.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.981 11.391 -15.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.547 11.225 -13.783 1.00 0.00 H new ATOM 1216 N CYS A 79 1.031 10.639 -9.728 1.00 0.00 N ATOM 1217 CA CYS A 79 0.215 10.757 -8.576 1.00 0.00 C ATOM 1218 C CYS A 79 -0.912 9.754 -8.429 1.00 0.00 C ATOM 1219 O CYS A 79 -2.056 10.079 -8.779 1.00 0.00 O ATOM 1220 CB CYS A 79 -0.345 12.184 -8.494 1.00 0.00 C ATOM 1221 SG CYS A 79 0.909 13.485 -8.636 1.00 0.00 S ATOM 0 H CYS A 79 0.571 10.843 -10.616 1.00 0.00 H new ATOM 0 HA CYS A 79 0.882 10.526 -7.745 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.083 12.319 -9.285 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.869 12.302 -7.546 1.00 0.00 H new ATOM 0 HG CYS A 79 2.074 12.945 -8.837 1.00 0.00 H new ATOM 1227 N PRO A 80 -0.679 8.488 -8.001 1.00 0.00 N ATOM 1228 CA PRO A 80 -1.773 7.728 -7.600 1.00 0.00 C ATOM 1229 C PRO A 80 -1.878 7.490 -6.067 1.00 0.00 C ATOM 1230 O PRO A 80 -2.975 7.551 -5.503 1.00 0.00 O ATOM 1231 CB PRO A 80 -1.572 6.449 -8.405 1.00 0.00 C ATOM 1232 CG PRO A 80 -0.096 6.292 -8.594 1.00 0.00 C ATOM 1233 CD PRO A 80 0.522 7.598 -8.169 1.00 0.00 C ATOM 0 HA PRO A 80 -2.724 8.226 -7.790 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.989 5.590 -7.879 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.081 6.512 -9.367 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.288 5.466 -7.995 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.142 6.069 -9.634 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.085 7.497 -7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.211 7.984 -8.920 1.00 0.00 H new ATOM 1241 N VAL A 81 -0.759 7.318 -5.396 1.00 0.00 N ATOM 1242 CA VAL A 81 -0.780 6.760 -4.064 1.00 0.00 C ATOM 1243 C VAL A 81 -0.606 7.778 -2.926 1.00 0.00 C ATOM 1244 O VAL A 81 0.378 8.688 -2.976 1.00 0.00 O ATOM 1245 CB VAL A 81 0.287 5.609 -3.940 1.00 0.00 C ATOM 1246 CG1 VAL A 81 0.284 4.860 -2.576 1.00 0.00 C ATOM 1247 CG2 VAL A 81 0.104 4.643 -5.050 1.00 0.00 C ATOM 0 H VAL A 81 0.168 7.555 -5.748 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.787 6.363 -3.935 1.00 0.00 H new ATOM 0 HB VAL A 81 1.260 6.096 -4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.051 4.086 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.490 5.567 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.692 4.402 -2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.843 3.846 -4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.898 4.216 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.232 5.156 -6.003 1.00 0.00 H new ATOM 1257 N PRO A 82 -1.495 7.530 -1.805 1.00 0.00 N ATOM 1258 CA PRO A 82 -1.469 8.181 -0.506 1.00 0.00 C ATOM 1259 C PRO A 82 -0.132 7.917 -0.001 1.00 0.00 C ATOM 1260 O PRO A 82 0.496 7.046 -0.517 1.00 0.00 O ATOM 1261 CB PRO A 82 -2.513 7.440 0.344 1.00 0.00 C ATOM 1262 CG PRO A 82 -2.538 6.137 -0.283 1.00 0.00 C ATOM 1263 CD PRO A 82 -2.457 6.464 -1.752 1.00 0.00 C ATOM 0 HA PRO A 82 -1.683 9.250 -0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.220 7.383 1.392 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.487 7.928 0.311 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.700 5.518 0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.450 5.590 -0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.135 5.603 -2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.424 6.775 -2.148 1.00 0.00 H new ATOM 1271 N PHE A 83 0.197 8.439 1.092 1.00 0.00 N ATOM 1272 CA PHE A 83 1.530 8.914 1.332 1.00 0.00 C ATOM 1273 C PHE A 83 2.658 8.041 0.764 1.00 0.00 C ATOM 1274 O PHE A 83 3.421 7.422 1.402 1.00 0.00 O ATOM 1275 CB PHE A 83 1.705 9.034 2.804 1.00 0.00 C ATOM 1276 CG PHE A 83 0.492 9.565 3.530 1.00 0.00 C ATOM 1277 CD1 PHE A 83 -0.542 8.690 3.849 1.00 0.00 C ATOM 1278 CD2 PHE A 83 0.358 10.896 3.868 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -1.660 9.108 4.477 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -0.791 11.328 4.511 1.00 0.00 C ATOM 1281 CZ PHE A 83 -1.796 10.412 4.810 1.00 0.00 C ATOM 0 H PHE A 83 -0.442 8.564 1.877 1.00 0.00 H new ATOM 0 HA PHE A 83 1.619 9.865 0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.957 8.054 3.210 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.552 9.690 3.006 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.447 7.647 3.586 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.145 11.598 3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.444 8.404 4.713 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.906 12.368 4.778 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.692 10.746 5.312 1.00 0.00 H new ATOM 1291 N CYS A 84 2.731 8.368 -0.428 1.00 0.00 N ATOM 1292 CA CYS A 84 3.458 8.106 -1.565 1.00 0.00 C ATOM 1293 C CYS A 84 3.521 9.480 -2.008 1.00 0.00 C ATOM 1294 O CYS A 84 3.690 10.291 -1.145 1.00 0.00 O ATOM 1295 CB CYS A 84 2.855 7.106 -2.556 1.00 0.00 C ATOM 1296 SG CYS A 84 3.727 6.920 -4.147 1.00 0.00 S ATOM 0 H CYS A 84 2.040 9.064 -0.709 1.00 0.00 H new ATOM 0 HA CYS A 84 4.403 7.581 -1.429 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.812 6.130 -2.073 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.827 7.406 -2.762 1.00 0.00 H new ATOM 0 HG CYS A 84 2.858 6.832 -5.110 1.00 0.00 H new ATOM 1302 N LEU A 85 3.464 9.756 -3.273 1.00 0.00 N ATOM 1303 CA LEU A 85 4.019 11.002 -3.938 1.00 0.00 C ATOM 1304 C LEU A 85 3.960 12.401 -3.197 1.00 0.00 C ATOM 1305 O LEU A 85 4.612 13.335 -3.625 1.00 0.00 O ATOM 1306 CB LEU A 85 3.675 11.142 -5.467 1.00 0.00 C ATOM 1307 CG LEU A 85 2.260 11.558 -5.911 1.00 0.00 C ATOM 1308 CD1 LEU A 85 1.213 10.593 -5.465 1.00 0.00 C ATOM 1309 CD2 LEU A 85 1.931 12.934 -5.432 1.00 0.00 C ATOM 0 H LEU A 85 3.021 9.125 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 85 5.073 10.746 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.372 11.866 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.891 10.182 -5.935 1.00 0.00 H new ATOM 0 HG LEU A 85 2.264 11.553 -7.001 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.235 10.934 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.421 9.610 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.217 10.529 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.927 13.203 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.977 12.961 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.649 13.644 -5.843 1.00 0.00 H new ATOM 1321 N ASN A 86 3.271 12.498 -2.110 1.00 0.00 N ATOM 1322 CA ASN A 86 3.358 13.647 -1.208 1.00 0.00 C ATOM 1323 C ASN A 86 4.739 13.560 -0.493 1.00 0.00 C ATOM 1324 O ASN A 86 5.367 14.569 -0.204 1.00 0.00 O ATOM 1325 CB ASN A 86 2.235 13.602 -0.132 1.00 0.00 C ATOM 1326 CG ASN A 86 0.838 13.439 -0.715 1.00 0.00 C ATOM 1327 OD1 ASN A 86 0.361 12.316 -0.905 1.00 0.00 O ATOM 1328 ND2 ASN A 86 0.171 14.531 -0.988 1.00 0.00 N ATOM 0 H ASN A 86 2.615 11.781 -1.799 1.00 0.00 H new ATOM 0 HA ASN A 86 3.246 14.571 -1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.432 12.777 0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 86 2.270 14.519 0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.773 14.470 -1.370 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.595 15.443 -0.819 1.00 0.00 H new ATOM 1335 N ILE A 87 5.205 12.307 -0.247 1.00 0.00 N ATOM 1336 CA ILE A 87 6.550 12.025 0.325 1.00 0.00 C ATOM 1337 C ILE A 87 7.591 12.062 -0.792 1.00 0.00 C ATOM 1338 O ILE A 87 8.787 12.302 -0.562 1.00 0.00 O ATOM 1339 CB ILE A 87 6.627 10.641 1.187 1.00 0.00 C ATOM 1340 CG1 ILE A 87 6.073 10.856 2.614 1.00 0.00 C ATOM 1341 CG2 ILE A 87 8.049 10.025 1.265 1.00 0.00 C ATOM 1342 CD1 ILE A 87 4.628 11.290 2.674 1.00 0.00 C ATOM 0 H ILE A 87 4.661 11.466 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 87 6.766 12.809 1.051 1.00 0.00 H new ATOM 0 HB ILE A 87 6.007 9.925 0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.182 9.928 3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.684 11.606 3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.017 9.109 1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.403 9.798 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.728 10.736 1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.329 11.415 3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.510 12.236 2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.001 10.532 2.205 1.00 0.00 H new ATOM 1354 N LYS A 88 7.120 11.907 -2.014 1.00 0.00 N ATOM 1355 CA LYS A 88 7.981 11.924 -3.174 1.00 0.00 C ATOM 1356 C LYS A 88 8.285 13.327 -3.616 1.00 0.00 C ATOM 1357 O LYS A 88 7.743 13.814 -4.602 1.00 0.00 O ATOM 1358 CB LYS A 88 7.360 11.157 -4.336 1.00 0.00 C ATOM 1359 CG LYS A 88 7.225 9.663 -4.075 1.00 0.00 C ATOM 1360 CD LYS A 88 8.414 8.906 -4.623 1.00 0.00 C ATOM 1361 CE LYS A 88 9.725 9.378 -4.032 1.00 0.00 C ATOM 1362 NZ LYS A 88 10.842 8.615 -4.552 1.00 0.00 N ATOM 0 H LYS A 88 6.133 11.766 -2.227 1.00 0.00 H new ATOM 0 HA LYS A 88 8.911 11.437 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.374 11.571 -4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.969 11.308 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.138 9.484 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.310 9.291 -4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.289 7.843 -4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.446 9.021 -5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.868 10.435 -4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.692 9.284 -2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.485 8.366 -3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.489 7.746 -5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.355 9.185 -5.255 1.00 0.00 H new ATOM 1376 N GLN A 89 9.068 13.985 -2.841 1.00 0.00 N ATOM 1377 CA GLN A 89 9.647 15.219 -3.210 1.00 0.00 C ATOM 1378 C GLN A 89 11.060 15.158 -2.744 1.00 0.00 C ATOM 1379 O GLN A 89 11.344 15.472 -1.589 1.00 0.00 O ATOM 1380 CB GLN A 89 8.959 16.398 -2.509 1.00 0.00 C ATOM 1381 CG GLN A 89 7.615 16.808 -3.093 1.00 0.00 C ATOM 1382 CD GLN A 89 7.743 17.391 -4.490 1.00 0.00 C ATOM 1383 OE1 GLN A 89 7.680 16.678 -5.495 1.00 0.00 O ATOM 1384 NE2 GLN A 89 7.921 18.676 -4.568 1.00 0.00 N ATOM 0 H GLN A 89 9.329 13.669 -1.907 1.00 0.00 H new ATOM 0 HA GLN A 89 9.553 15.372 -4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 89 8.817 16.142 -1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 89 9.628 17.258 -2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.956 15.941 -3.123 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.146 17.542 -2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.968 19.237 -3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.013 19.124 -5.480 1.00 0.00 H new ATOM 1393 N LYS A 90 11.944 14.735 -3.597 1.00 0.00 N ATOM 1394 CA LYS A 90 13.321 14.646 -3.263 1.00 0.00 C ATOM 1395 C LYS A 90 14.060 15.004 -4.509 1.00 0.00 C ATOM 1396 O LYS A 90 13.879 14.289 -5.523 1.00 0.00 O ATOM 1397 CB LYS A 90 13.754 13.219 -2.801 1.00 0.00 C ATOM 1398 CG LYS A 90 12.999 12.587 -1.614 1.00 0.00 C ATOM 1399 CD LYS A 90 13.094 13.404 -0.325 1.00 0.00 C ATOM 1400 CE LYS A 90 14.519 13.607 0.138 1.00 0.00 C ATOM 1401 NZ LYS A 90 14.588 14.383 1.393 1.00 0.00 N ATOM 1402 OXT LYS A 90 14.802 15.989 -4.510 1.00 0.00 O ATOM 0 H LYS A 90 11.722 14.442 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 90 13.535 15.308 -2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 90 13.659 12.547 -3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.812 13.257 -2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.949 12.469 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.396 11.588 -1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.626 14.376 -0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 90 12.530 12.901 0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.994 12.637 0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.083 14.123 -0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.582 14.499 1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 14.158 15.319 1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.072 13.878 2.142 1.00 0.00 H new TER 1416 LYS A 90 ATOM 1417 N LEU B 1 12.333 -5.445 -10.660 1.00 0.00 N ATOM 1418 CA LEU B 1 11.135 -5.713 -9.876 1.00 0.00 C ATOM 1419 C LEU B 1 10.612 -4.400 -9.323 1.00 0.00 C ATOM 1420 O LEU B 1 11.206 -3.830 -8.397 1.00 0.00 O ATOM 1421 CB LEU B 1 11.400 -6.717 -8.720 1.00 0.00 C ATOM 1422 CG LEU B 1 11.830 -8.162 -9.092 1.00 0.00 C ATOM 1423 CD1 LEU B 1 10.902 -8.780 -10.125 1.00 0.00 C ATOM 1424 CD2 LEU B 1 13.291 -8.254 -9.522 1.00 0.00 C ATOM 0 H1 LEU B 1 12.389 -6.119 -11.450 1.00 0.00 H new ATOM 0 H2 LEU B 1 12.294 -4.475 -11.034 1.00 0.00 H new ATOM 0 H3 LEU B 1 13.173 -5.549 -10.056 1.00 0.00 H new ATOM 0 HA LEU B 1 10.393 -6.174 -10.528 1.00 0.00 H new ATOM 0 HB2 LEU B 1 12.174 -6.293 -8.080 1.00 0.00 H new ATOM 0 HB3 LEU B 1 10.492 -6.783 -8.121 1.00 0.00 H new ATOM 0 HG LEU B 1 11.741 -8.749 -8.178 1.00 0.00 H new ATOM 0 HD11 LEU B 1 11.238 -9.791 -10.358 1.00 0.00 H new ATOM 0 HD12 LEU B 1 9.888 -8.817 -9.727 1.00 0.00 H new ATOM 0 HD13 LEU B 1 10.914 -8.176 -11.032 1.00 0.00 H new ATOM 0 HD21 LEU B 1 13.533 -9.288 -9.769 1.00 0.00 H new ATOM 0 HD22 LEU B 1 13.453 -7.624 -10.397 1.00 0.00 H new ATOM 0 HD23 LEU B 1 13.932 -7.916 -8.708 1.00 0.00 H new ATOM 1438 N PRO B 2 9.512 -3.888 -9.898 1.00 0.00 N ATOM 1439 CA PRO B 2 8.952 -2.593 -9.529 1.00 0.00 C ATOM 1440 C PRO B 2 8.015 -2.655 -8.319 1.00 0.00 C ATOM 1441 O PRO B 2 7.623 -3.745 -7.863 1.00 0.00 O ATOM 1442 CB PRO B 2 8.171 -2.205 -10.781 1.00 0.00 C ATOM 1443 CG PRO B 2 7.684 -3.501 -11.336 1.00 0.00 C ATOM 1444 CD PRO B 2 8.702 -4.545 -10.957 1.00 0.00 C ATOM 0 HA PRO B 2 9.727 -1.887 -9.232 1.00 0.00 H new ATOM 0 HB2 PRO B 2 7.342 -1.540 -10.541 1.00 0.00 H new ATOM 0 HB3 PRO B 2 8.804 -1.680 -11.496 1.00 0.00 H new ATOM 0 HG2 PRO B 2 6.704 -3.751 -10.931 1.00 0.00 H new ATOM 0 HG3 PRO B 2 7.575 -3.442 -12.419 1.00 0.00 H new ATOM 0 HD2 PRO B 2 8.225 -5.453 -10.589 1.00 0.00 H new ATOM 0 HD3 PRO B 2 9.317 -4.831 -11.810 1.00 0.00 H new ATOM 1452 N SER B 3 7.678 -1.466 -7.808 1.00 0.00 N ATOM 1453 CA SER B 3 6.787 -1.279 -6.669 1.00 0.00 C ATOM 1454 C SER B 3 7.380 -1.899 -5.396 1.00 0.00 C ATOM 1455 O SER B 3 6.662 -2.280 -4.472 1.00 0.00 O ATOM 1456 CB SER B 3 5.389 -1.822 -6.989 1.00 0.00 C ATOM 1457 OG SER B 3 4.832 -1.162 -8.132 1.00 0.00 O ATOM 0 H SER B 3 8.029 -0.587 -8.189 1.00 0.00 H new ATOM 0 HA SER B 3 6.684 -0.211 -6.476 1.00 0.00 H new ATOM 0 HB2 SER B 3 5.445 -2.894 -7.175 1.00 0.00 H new ATOM 0 HB3 SER B 3 4.735 -1.682 -6.129 1.00 0.00 H new ATOM 0 HG SER B 3 3.941 -1.526 -8.318 1.00 0.00 H new ATOM 1463 N GLN B 4 8.691 -1.892 -5.331 1.00 0.00 N ATOM 1464 CA GLN B 4 9.421 -2.480 -4.239 1.00 0.00 C ATOM 1465 C GLN B 4 9.621 -1.437 -3.148 1.00 0.00 C ATOM 1466 O GLN B 4 9.667 -0.238 -3.430 1.00 0.00 O ATOM 1467 CB GLN B 4 10.774 -2.992 -4.753 1.00 0.00 C ATOM 1468 CG GLN B 4 11.583 -3.804 -3.747 1.00 0.00 C ATOM 1469 CD GLN B 4 12.926 -4.264 -4.295 1.00 0.00 C ATOM 1470 OE1 GLN B 4 13.886 -4.440 -3.543 1.00 0.00 O ATOM 1471 NE2 GLN B 4 13.007 -4.462 -5.595 1.00 0.00 N ATOM 0 H GLN B 4 9.285 -1.472 -6.045 1.00 0.00 H new ATOM 0 HA GLN B 4 8.863 -3.319 -3.823 1.00 0.00 H new ATOM 0 HB2 GLN B 4 10.601 -3.606 -5.637 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.371 -2.137 -5.071 1.00 0.00 H new ATOM 0 HG2 GLN B 4 11.749 -3.203 -2.853 1.00 0.00 H new ATOM 0 HG3 GLN B 4 11.004 -4.676 -3.442 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.191 -4.306 -6.186 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.886 -4.771 -6.010 1.00 0.00 H new ATOM 1480 N ALA B 5 9.714 -1.883 -1.921 1.00 0.00 N ATOM 1481 CA ALA B 5 9.937 -1.016 -0.807 1.00 0.00 C ATOM 1482 C ALA B 5 10.837 -1.722 0.153 1.00 0.00 C ATOM 1483 O ALA B 5 11.160 -2.890 -0.060 1.00 0.00 O ATOM 1484 CB ALA B 5 8.629 -0.706 -0.135 1.00 0.00 C ATOM 0 H ALA B 5 9.635 -2.869 -1.672 1.00 0.00 H new ATOM 0 HA ALA B 5 10.390 -0.082 -1.139 1.00 0.00 H new ATOM 0 HB1 ALA B 5 8.804 -0.045 0.714 1.00 0.00 H new ATOM 0 HB2 ALA B 5 7.962 -0.217 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA B 5 8.171 -1.631 0.214 1.00 0.00 H new ATOM 1490 N MET B 6 11.256 -1.043 1.187 1.00 0.00 N ATOM 1491 CA MET B 6 12.059 -1.662 2.204 1.00 0.00 C ATOM 1492 C MET B 6 11.359 -1.585 3.528 1.00 0.00 C ATOM 1493 O MET B 6 11.120 -0.500 4.065 1.00 0.00 O ATOM 1494 CB MET B 6 13.475 -1.098 2.277 1.00 0.00 C ATOM 1495 CG MET B 6 14.320 -1.426 1.054 1.00 0.00 C ATOM 1496 SD MET B 6 16.009 -0.805 1.159 1.00 0.00 S ATOM 1497 CE MET B 6 16.627 -1.706 2.585 1.00 0.00 C ATOM 0 H MET B 6 11.053 -0.056 1.347 1.00 0.00 H new ATOM 0 HA MET B 6 12.180 -2.710 1.930 1.00 0.00 H new ATOM 0 HB2 MET B 6 13.421 -0.015 2.393 1.00 0.00 H new ATOM 0 HB3 MET B 6 13.969 -1.490 3.166 1.00 0.00 H new ATOM 0 HG2 MET B 6 14.347 -2.507 0.920 1.00 0.00 H new ATOM 0 HG3 MET B 6 13.842 -1.007 0.169 1.00 0.00 H new ATOM 0 HE1 MET B 6 17.641 -2.051 2.386 1.00 0.00 H new ATOM 0 HE2 MET B 6 16.631 -1.050 3.456 1.00 0.00 H new ATOM 0 HE3 MET B 6 15.984 -2.564 2.780 1.00 0.00 H new ATOM 1507 N ASP B 7 11.104 -2.750 4.067 1.00 0.00 N ATOM 1508 CA ASP B 7 10.306 -3.011 5.291 1.00 0.00 C ATOM 1509 C ASP B 7 10.973 -2.497 6.575 1.00 0.00 C ATOM 1510 O ASP B 7 10.496 -2.736 7.684 1.00 0.00 O ATOM 1511 CB ASP B 7 10.116 -4.526 5.405 1.00 0.00 C ATOM 1512 CG ASP B 7 11.452 -5.252 5.561 1.00 0.00 C ATOM 1513 OD1 ASP B 7 12.198 -5.372 4.540 1.00 0.00 O ATOM 1514 OD2 ASP B 7 11.790 -5.690 6.686 1.00 0.00 O ATOM 0 H ASP B 7 11.460 -3.612 3.655 1.00 0.00 H new ATOM 0 HA ASP B 7 9.361 -2.477 5.195 1.00 0.00 H new ATOM 0 HB2 ASP B 7 9.478 -4.750 6.260 1.00 0.00 H new ATOM 0 HB3 ASP B 7 9.602 -4.896 4.518 1.00 0.00 H new ATOM 1519 N ASP B 8 12.049 -1.798 6.417 1.00 0.00 N ATOM 1520 CA ASP B 8 12.823 -1.299 7.542 1.00 0.00 C ATOM 1521 C ASP B 8 12.430 0.094 7.854 1.00 0.00 C ATOM 1522 O ASP B 8 12.363 0.511 8.997 1.00 0.00 O ATOM 1523 CB ASP B 8 14.322 -1.357 7.263 1.00 0.00 C ATOM 1524 CG ASP B 8 15.157 -0.800 8.408 1.00 0.00 C ATOM 1525 OD1 ASP B 8 15.476 -1.554 9.344 1.00 0.00 O ATOM 1526 OD2 ASP B 8 15.542 0.391 8.371 1.00 0.00 O ATOM 0 H ASP B 8 12.431 -1.547 5.505 1.00 0.00 H new ATOM 0 HA ASP B 8 12.611 -1.941 8.397 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.613 -2.391 7.077 1.00 0.00 H new ATOM 0 HB3 ASP B 8 14.540 -0.796 6.354 1.00 0.00 H new ATOM 1531 N LEU B 9 12.082 0.777 6.816 1.00 0.00 N ATOM 1532 CA LEU B 9 11.870 2.222 6.849 1.00 0.00 C ATOM 1533 C LEU B 9 10.563 2.543 7.426 1.00 0.00 C ATOM 1534 O LEU B 9 10.308 3.662 7.846 1.00 0.00 O ATOM 1535 CB LEU B 9 11.975 2.808 5.429 1.00 0.00 C ATOM 1536 CG LEU B 9 13.159 2.306 4.596 1.00 0.00 C ATOM 1537 CD1 LEU B 9 13.327 3.101 3.316 1.00 0.00 C ATOM 1538 CD2 LEU B 9 14.415 2.292 5.426 1.00 0.00 C ATOM 0 H LEU B 9 11.929 0.360 5.898 1.00 0.00 H new ATOM 0 HA LEU B 9 12.643 2.665 7.476 1.00 0.00 H new ATOM 0 HB2 LEU B 9 11.054 2.582 4.892 1.00 0.00 H new ATOM 0 HB3 LEU B 9 12.041 3.893 5.506 1.00 0.00 H new ATOM 0 HG LEU B 9 12.949 1.281 4.291 1.00 0.00 H new ATOM 0 HD11 LEU B 9 14.177 2.713 2.755 1.00 0.00 H new ATOM 0 HD12 LEU B 9 12.424 3.014 2.712 1.00 0.00 H new ATOM 0 HD13 LEU B 9 13.501 4.149 3.559 1.00 0.00 H new ATOM 0 HD21 LEU B 9 15.247 1.933 4.821 1.00 0.00 H new ATOM 0 HD22 LEU B 9 14.630 3.301 5.777 1.00 0.00 H new ATOM 0 HD23 LEU B 9 14.278 1.632 6.282 1.00 0.00 H new ATOM 1550 N MET B 10 9.770 1.559 7.482 1.00 0.00 N ATOM 1551 CA MET B 10 8.407 1.698 7.867 1.00 0.00 C ATOM 1552 C MET B 10 7.839 0.413 8.446 1.00 0.00 C ATOM 1553 O MET B 10 8.515 -0.620 8.480 1.00 0.00 O ATOM 1554 CB MET B 10 7.624 2.184 6.655 1.00 0.00 C ATOM 1555 CG MET B 10 7.516 3.699 6.533 1.00 0.00 C ATOM 1556 SD MET B 10 6.732 4.434 7.983 1.00 0.00 S ATOM 1557 CE MET B 10 6.785 6.171 7.551 1.00 0.00 C ATOM 0 H MET B 10 10.043 0.602 7.258 1.00 0.00 H new ATOM 0 HA MET B 10 8.325 2.430 8.671 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.096 1.793 5.754 1.00 0.00 H new ATOM 0 HB3 MET B 10 6.619 1.764 6.696 1.00 0.00 H new ATOM 0 HG2 MET B 10 8.511 4.125 6.403 1.00 0.00 H new ATOM 0 HG3 MET B 10 6.942 3.952 5.642 1.00 0.00 H new ATOM 0 HE1 MET B 10 6.554 6.772 8.431 1.00 0.00 H new ATOM 0 HE2 MET B 10 7.781 6.426 7.189 1.00 0.00 H new ATOM 0 HE3 MET B 10 6.052 6.374 6.770 1.00 0.00 H new ATOM 1567 N LEU B 11 6.611 0.512 8.910 1.00 0.00 N ATOM 1568 CA LEU B 11 5.876 -0.612 9.555 1.00 0.00 C ATOM 1569 C LEU B 11 5.605 -1.822 8.623 1.00 0.00 C ATOM 1570 O LEU B 11 5.788 -1.755 7.412 1.00 0.00 O ATOM 1571 CB LEU B 11 4.553 -0.157 10.243 1.00 0.00 C ATOM 1572 CG LEU B 11 4.635 0.608 11.592 1.00 0.00 C ATOM 1573 CD1 LEU B 11 5.411 -0.185 12.625 1.00 0.00 C ATOM 1574 CD2 LEU B 11 5.200 2.020 11.450 1.00 0.00 C ATOM 0 H LEU B 11 6.069 1.375 8.861 1.00 0.00 H new ATOM 0 HA LEU B 11 6.565 -0.958 10.325 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.015 0.476 9.537 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.943 -1.046 10.404 1.00 0.00 H new ATOM 0 HG LEU B 11 3.608 0.721 11.939 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.452 0.376 13.559 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.916 -1.141 12.797 1.00 0.00 H new ATOM 0 HD13 LEU B 11 6.424 -0.361 12.263 1.00 0.00 H new ATOM 0 HD21 LEU B 11 5.231 2.500 12.428 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.208 1.969 11.039 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.565 2.600 10.781 1.00 0.00 H new ATOM 1586 N SER B 12 5.128 -2.892 9.231 1.00 0.00 N ATOM 1587 CA SER B 12 4.908 -4.192 8.620 1.00 0.00 C ATOM 1588 C SER B 12 3.922 -4.220 7.415 1.00 0.00 C ATOM 1589 O SER B 12 2.789 -3.732 7.501 1.00 0.00 O ATOM 1590 CB SER B 12 4.441 -5.103 9.726 1.00 0.00 C ATOM 1591 OG SER B 12 3.625 -4.354 10.630 1.00 0.00 O ATOM 0 H SER B 12 4.869 -2.878 10.218 1.00 0.00 H new ATOM 0 HA SER B 12 5.846 -4.515 8.169 1.00 0.00 H new ATOM 0 HB2 SER B 12 3.876 -5.939 9.313 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.297 -5.526 10.253 1.00 0.00 H new ATOM 0 HG SER B 12 3.315 -4.939 11.352 1.00 0.00 H new ATOM 1597 N PRO B 13 4.376 -4.812 6.275 1.00 0.00 N ATOM 1598 CA PRO B 13 3.561 -4.979 5.036 1.00 0.00 C ATOM 1599 C PRO B 13 2.431 -5.962 5.183 1.00 0.00 C ATOM 1600 O PRO B 13 1.422 -5.896 4.464 1.00 0.00 O ATOM 1601 CB PRO B 13 4.532 -5.570 4.042 1.00 0.00 C ATOM 1602 CG PRO B 13 5.674 -6.111 4.835 1.00 0.00 C ATOM 1603 CD PRO B 13 5.759 -5.296 6.078 1.00 0.00 C ATOM 0 HA PRO B 13 3.113 -4.025 4.760 1.00 0.00 H new ATOM 0 HB2 PRO B 13 4.057 -6.359 3.458 1.00 0.00 H new ATOM 0 HB3 PRO B 13 4.874 -4.813 3.337 1.00 0.00 H new ATOM 0 HG2 PRO B 13 5.516 -7.163 5.073 1.00 0.00 H new ATOM 0 HG3 PRO B 13 6.603 -6.049 4.268 1.00 0.00 H new ATOM 0 HD2 PRO B 13 6.099 -5.892 6.925 1.00 0.00 H new ATOM 0 HD3 PRO B 13 6.461 -4.469 5.968 1.00 0.00 H new ATOM 1611 N ASP B 14 2.641 -6.854 6.105 1.00 0.00 N ATOM 1612 CA ASP B 14 1.764 -7.996 6.434 1.00 0.00 C ATOM 1613 C ASP B 14 0.299 -7.591 6.447 1.00 0.00 C ATOM 1614 O ASP B 14 -0.567 -8.292 5.914 1.00 0.00 O ATOM 1615 CB ASP B 14 2.148 -8.521 7.825 1.00 0.00 C ATOM 1616 CG ASP B 14 1.503 -9.840 8.203 1.00 0.00 C ATOM 1617 OD1 ASP B 14 0.336 -9.872 8.622 1.00 0.00 O ATOM 1618 OD2 ASP B 14 2.192 -10.882 8.130 1.00 0.00 O ATOM 0 H ASP B 14 3.472 -6.824 6.696 1.00 0.00 H new ATOM 0 HA ASP B 14 1.896 -8.764 5.672 1.00 0.00 H new ATOM 0 HB2 ASP B 14 3.231 -8.636 7.869 1.00 0.00 H new ATOM 0 HB3 ASP B 14 1.876 -7.772 8.569 1.00 0.00 H new ATOM 1623 N ASP B 15 0.035 -6.454 7.032 1.00 0.00 N ATOM 1624 CA ASP B 15 -1.312 -5.967 7.159 1.00 0.00 C ATOM 1625 C ASP B 15 -1.917 -5.419 5.883 1.00 0.00 C ATOM 1626 O ASP B 15 -3.098 -5.630 5.652 1.00 0.00 O ATOM 1627 CB ASP B 15 -1.495 -5.009 8.336 1.00 0.00 C ATOM 1628 CG ASP B 15 -1.320 -5.675 9.693 1.00 0.00 C ATOM 1629 OD1 ASP B 15 -0.165 -5.919 10.111 1.00 0.00 O ATOM 1630 OD2 ASP B 15 -2.330 -5.936 10.383 1.00 0.00 O ATOM 0 H ASP B 15 0.745 -5.841 7.433 1.00 0.00 H new ATOM 0 HA ASP B 15 -1.889 -6.865 7.381 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -0.778 -4.193 8.245 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -2.490 -4.566 8.283 1.00 0.00 H new ATOM 1635 N ILE B 16 -1.141 -4.765 4.996 1.00 0.00 N ATOM 1636 CA ILE B 16 -1.733 -4.165 3.854 1.00 0.00 C ATOM 1637 C ILE B 16 -2.079 -5.189 2.856 1.00 0.00 C ATOM 1638 O ILE B 16 -2.943 -5.031 2.054 1.00 0.00 O ATOM 1639 CB ILE B 16 -0.936 -2.987 3.306 1.00 0.00 C ATOM 1640 CG1 ILE B 16 0.512 -2.949 3.819 1.00 0.00 C ATOM 1641 CG2 ILE B 16 -1.641 -1.753 3.713 1.00 0.00 C ATOM 1642 CD1 ILE B 16 0.596 -2.459 5.224 1.00 0.00 C ATOM 0 H ILE B 16 -0.130 -4.657 5.072 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.671 -3.705 4.165 1.00 0.00 H new ATOM 0 HB ILE B 16 -0.872 -3.084 2.222 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.944 -3.948 3.757 1.00 0.00 H new ATOM 0 HG13 ILE B 16 1.108 -2.303 3.174 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -1.100 -0.884 3.338 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -2.650 -1.757 3.300 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -1.694 -1.706 4.801 1.00 0.00 H new ATOM 0 HD11 ILE B 16 1.638 -2.449 5.544 1.00 0.00 H new ATOM 0 HD12 ILE B 16 0.189 -1.450 5.282 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.023 -3.120 5.875 1.00 0.00 H new ATOM 1654 N GLU B 17 -1.376 -6.214 2.967 1.00 0.00 N ATOM 1655 CA GLU B 17 -1.667 -7.511 2.343 1.00 0.00 C ATOM 1656 C GLU B 17 -3.078 -8.020 2.630 1.00 0.00 C ATOM 1657 O GLU B 17 -3.673 -8.695 1.791 1.00 0.00 O ATOM 1658 CB GLU B 17 -0.679 -8.626 2.671 1.00 0.00 C ATOM 1659 CG GLU B 17 0.657 -8.546 1.980 1.00 0.00 C ATOM 1660 CD GLU B 17 1.302 -9.915 1.911 1.00 0.00 C ATOM 1661 OE1 GLU B 17 1.802 -10.418 2.942 1.00 0.00 O ATOM 1662 OE2 GLU B 17 1.293 -10.542 0.836 1.00 0.00 O ATOM 0 H GLU B 17 -0.518 -6.226 3.519 1.00 0.00 H new ATOM 0 HA GLU B 17 -1.567 -7.279 1.283 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.510 -8.630 3.748 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -1.141 -9.580 2.418 1.00 0.00 H new ATOM 0 HG2 GLU B 17 0.529 -8.147 0.974 1.00 0.00 H new ATOM 0 HG3 GLU B 17 1.309 -7.857 2.516 1.00 0.00 H new ATOM 1669 N GLN B 18 -3.643 -7.706 3.783 1.00 0.00 N ATOM 1670 CA GLN B 18 -5.029 -8.115 4.006 1.00 0.00 C ATOM 1671 C GLN B 18 -5.890 -7.383 3.041 1.00 0.00 C ATOM 1672 O GLN B 18 -6.880 -7.915 2.472 1.00 0.00 O ATOM 1673 CB GLN B 18 -5.574 -7.792 5.395 1.00 0.00 C ATOM 1674 CG GLN B 18 -5.050 -8.595 6.532 1.00 0.00 C ATOM 1675 CD GLN B 18 -5.835 -8.318 7.799 1.00 0.00 C ATOM 1676 OE1 GLN B 18 -5.484 -7.444 8.592 1.00 0.00 O ATOM 1677 NE2 GLN B 18 -6.943 -8.995 7.963 1.00 0.00 N ATOM 0 H GLN B 18 -3.197 -7.197 4.546 1.00 0.00 H new ATOM 0 HA GLN B 18 -5.042 -9.198 3.887 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -5.372 -6.741 5.602 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -6.657 -7.909 5.369 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -5.107 -9.656 6.289 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -3.998 -8.361 6.693 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -7.207 -9.713 7.288 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -7.543 -8.804 8.766 1.00 0.00 H new ATOM 1686 N TRP B 19 -5.460 -6.192 2.781 1.00 0.00 N ATOM 1687 CA TRP B 19 -6.220 -5.318 2.048 1.00 0.00 C ATOM 1688 C TRP B 19 -5.896 -5.482 0.577 1.00 0.00 C ATOM 1689 O TRP B 19 -6.729 -5.250 -0.263 1.00 0.00 O ATOM 1690 CB TRP B 19 -6.106 -3.887 2.622 1.00 0.00 C ATOM 1691 CG TRP B 19 -6.411 -3.889 4.106 1.00 0.00 C ATOM 1692 CD1 TRP B 19 -7.514 -4.398 4.711 1.00 0.00 C ATOM 1693 CD2 TRP B 19 -5.609 -3.372 5.163 1.00 0.00 C ATOM 1694 NE1 TRP B 19 -7.398 -4.333 6.042 1.00 0.00 N ATOM 1695 CE2 TRP B 19 -6.255 -3.683 6.359 1.00 0.00 C ATOM 1696 CE3 TRP B 19 -4.413 -2.709 5.217 1.00 0.00 C ATOM 1697 CZ2 TRP B 19 -5.731 -3.355 7.592 1.00 0.00 C ATOM 1698 CZ3 TRP B 19 -3.886 -2.371 6.443 1.00 0.00 C ATOM 1699 CH2 TRP B 19 -4.545 -2.701 7.617 1.00 0.00 C ATOM 0 H TRP B 19 -4.559 -5.824 3.088 1.00 0.00 H new ATOM 0 HA TRP B 19 -7.283 -5.545 2.130 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -5.102 -3.498 2.451 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.798 -3.224 2.103 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -8.369 -4.801 4.189 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -8.066 -4.714 6.712 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -3.889 -2.454 4.308 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -6.248 -3.611 8.505 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -2.946 -1.841 6.491 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -4.106 -2.432 8.567 1.00 0.00 H new ATOM 1710 N PHE B 20 -4.672 -5.913 0.293 1.00 0.00 N ATOM 1711 CA PHE B 20 -4.258 -6.273 -1.025 1.00 0.00 C ATOM 1712 C PHE B 20 -5.144 -7.369 -1.537 1.00 0.00 C ATOM 1713 O PHE B 20 -5.863 -7.186 -2.523 1.00 0.00 O ATOM 1714 CB PHE B 20 -2.711 -6.581 -1.067 1.00 0.00 C ATOM 1715 CG PHE B 20 -2.238 -7.968 -1.488 1.00 0.00 C ATOM 1716 CD1 PHE B 20 -2.112 -8.950 -0.552 1.00 0.00 C ATOM 1717 CD2 PHE B 20 -1.882 -8.253 -2.789 1.00 0.00 C ATOM 1718 CE1 PHE B 20 -1.647 -10.197 -0.879 1.00 0.00 C ATOM 1719 CE2 PHE B 20 -1.423 -9.503 -3.140 1.00 0.00 C ATOM 1720 CZ PHE B 20 -1.302 -10.479 -2.178 1.00 0.00 C ATOM 0 H PHE B 20 -3.940 -6.018 0.996 1.00 0.00 H new ATOM 0 HA PHE B 20 -4.381 -5.437 -1.714 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.251 -5.859 -1.742 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -2.311 -6.386 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -2.385 -8.741 0.472 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -1.964 -7.485 -3.544 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -1.552 -10.956 -0.117 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -1.159 -9.716 -4.165 1.00 0.00 H new ATOM 0 HZ PHE B 20 -0.938 -11.461 -2.443 1.00 0.00 H new ATOM 1730 N THR B 21 -5.077 -8.495 -0.912 1.00 0.00 N ATOM 1731 CA THR B 21 -5.935 -9.522 -1.222 1.00 0.00 C ATOM 1732 C THR B 21 -6.182 -10.518 -0.113 1.00 0.00 C ATOM 1733 O THR B 21 -5.347 -11.370 0.207 1.00 0.00 O ATOM 1734 CB THR B 21 -5.762 -10.180 -2.614 1.00 0.00 C ATOM 1735 OG1 THR B 21 -6.955 -10.911 -2.937 1.00 0.00 O ATOM 1736 CG2 THR B 21 -4.647 -11.116 -2.583 1.00 0.00 C ATOM 0 H THR B 21 -4.410 -8.703 -0.169 1.00 0.00 H new ATOM 0 HA THR B 21 -6.871 -8.972 -1.322 1.00 0.00 H new ATOM 0 HB THR B 21 -5.573 -9.404 -3.356 1.00 0.00 H new ATOM 0 HG1 THR B 21 -6.854 -11.329 -3.818 1.00 0.00 H new ATOM 0 HG21 THR B 21 -4.530 -11.576 -3.564 1.00 0.00 H new ATOM 0 HG22 THR B 21 -3.733 -10.584 -2.320 1.00 0.00 H new ATOM 0 HG23 THR B 21 -4.842 -11.890 -1.841 1.00 0.00 H new ATOM 1744 N GLU B 22 -7.209 -10.329 0.571 1.00 0.00 N ATOM 1745 CA GLU B 22 -7.795 -11.455 1.147 1.00 0.00 C ATOM 1746 C GLU B 22 -8.820 -11.821 0.112 1.00 0.00 C ATOM 1747 O GLU B 22 -9.687 -10.994 -0.189 1.00 0.00 O ATOM 1748 CB GLU B 22 -8.359 -11.243 2.544 1.00 0.00 C ATOM 1749 CG GLU B 22 -7.269 -10.946 3.568 1.00 0.00 C ATOM 1750 CD GLU B 22 -7.722 -11.072 4.996 1.00 0.00 C ATOM 1751 OE1 GLU B 22 -8.236 -10.102 5.567 1.00 0.00 O ATOM 1752 OE2 GLU B 22 -7.553 -12.154 5.582 1.00 0.00 O ATOM 0 H GLU B 22 -7.662 -9.433 0.750 1.00 0.00 H new ATOM 0 HA GLU B 22 -7.079 -12.250 1.355 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -9.071 -10.418 2.525 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -8.910 -12.132 2.850 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -6.433 -11.625 3.401 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -6.896 -9.935 3.404 1.00 0.00 H new ATOM 1759 N ASP B 23 -8.688 -13.025 -0.422 1.00 0.00 N ATOM 1760 CA ASP B 23 -9.318 -13.490 -1.680 1.00 0.00 C ATOM 1761 C ASP B 23 -10.742 -13.023 -1.809 1.00 0.00 C ATOM 1762 O ASP B 23 -11.591 -13.306 -0.946 1.00 0.00 O ATOM 1763 CB ASP B 23 -9.278 -15.017 -1.750 1.00 0.00 C ATOM 1764 CG ASP B 23 -9.633 -15.553 -3.111 1.00 0.00 C ATOM 1765 OD1 ASP B 23 -8.778 -15.504 -4.009 1.00 0.00 O ATOM 1766 OD2 ASP B 23 -10.745 -16.080 -3.291 1.00 0.00 O ATOM 0 H ASP B 23 -8.117 -13.747 0.017 1.00 0.00 H new ATOM 0 HA ASP B 23 -8.749 -13.060 -2.504 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -8.280 -15.362 -1.479 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -9.968 -15.427 -1.013 1.00 0.00 H new ATOM 1771 N PRO B 24 -11.010 -12.251 -2.875 1.00 0.00 N ATOM 1772 CA PRO B 24 -12.283 -11.594 -3.069 1.00 0.00 C ATOM 1773 C PRO B 24 -13.422 -12.544 -3.351 1.00 0.00 C ATOM 1774 O PRO B 24 -13.235 -13.678 -3.815 1.00 0.00 O ATOM 1775 CB PRO B 24 -12.042 -10.680 -4.265 1.00 0.00 C ATOM 1776 CG PRO B 24 -10.991 -11.364 -5.033 1.00 0.00 C ATOM 1777 CD PRO B 24 -10.080 -11.970 -4.009 1.00 0.00 C ATOM 0 HA PRO B 24 -12.590 -11.070 -2.164 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -12.948 -10.551 -4.857 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -11.723 -9.687 -3.950 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -11.415 -12.129 -5.684 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -10.453 -10.664 -5.672 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -9.603 -12.878 -4.377 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -9.282 -11.286 -3.720 1.00 0.00 H new ATOM 1785 N GLY B 25 -14.571 -12.070 -3.073 1.00 0.00 N ATOM 1786 CA GLY B 25 -15.778 -12.776 -3.238 1.00 0.00 C ATOM 1787 C GLY B 25 -16.809 -12.055 -2.452 1.00 0.00 C ATOM 1788 O GLY B 25 -16.630 -10.838 -2.229 1.00 0.00 O ATOM 1789 OXT GLY B 25 -17.803 -12.655 -2.025 1.00 0.00 O ATOM 0 H GLY B 25 -14.703 -11.128 -2.704 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -16.057 -12.823 -4.291 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -15.675 -13.804 -2.890 1.00 0.00 H new TER 1793 GLY B 25