USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1007 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 54 THR OG1 : rot 15:sc= -0.284 USER MOD Set 1.2: A 57 SER OG : rot -59:sc= 0.971 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -1:sc= 1.06 USER MOD Single : A 3 SER OG : rot 60:sc= 1.21 USER MOD Single : A 5 SER OG : rot 55:sc= 1.13 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 38:sc= 0.528 USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.623 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0414 USER MOD Single : A 19 LYS NZ :NH3+ 153:sc= -0.0273 (180deg=-0.345) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -6.42! C(o=-6.4!,f=-15!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.0213 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -3.26! USER MOD Single : A 42 HIS : no HD1:sc= -0.838 K(o=-0.84,f=-3.3!) USER MOD Single : A 43 GLN : amide:sc= -0.0624 K(o=-0.062,f=-1.6!) USER MOD Single : A 46 THR OG1 : rot -29:sc= 0.548 USER MOD Single : A 48 ASN : amide:sc= -2.75! C(o=-2.7!,f=-2.7!) USER MOD Single : A 50 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.242 K(o=-0.24,f=-2.6!) USER MOD Single : A 66 ASN : amide:sc= -2.19 K(o=-2.2,f=-0.65) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -175:sc= -2.2 USER MOD Single : A 70 TYR OH : rot -130:sc= -1.49 USER MOD Single : A 71 SER OG : rot -53:sc= 1.08 USER MOD Single : A 72 MET CE :methyl -141:sc= -9.06! (180deg=-13.5!) USER MOD Single : A 75 ASN : amide:sc= -0.321 X(o=-0.32,f=0) USER MOD Single : A 76 ASN : amide:sc= -3.1! C(o=-3.1!,f=-3.2!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 135:sc= -1.4 USER MOD Single : A 86 SER OG : rot 78:sc= 1.07 USER MOD Single : A 87 SER OG : rot 180:sc= -0.336 USER MOD Single : A 88 LYS NZ :NH3+ -130:sc= -1.35 (180deg=-3.6!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -17:sc= 0.406 USER MOD Single : A 99 CYS SG : rot 180:sc= -0.0226 USER MOD Single : A 101 LYS NZ :NH3+ -156:sc= 1.08 (180deg=0.176) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.046) USER MOD Single : A 106 THR OG1 : rot -150:sc= -0.131 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.329 K(o=-0.33,f=-2.2!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 153:sc= -0.0217 (180deg=-0.358) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.328 18.546 45.748 1.00 0.00 N ATOM 2 CA GLY A 1 -20.338 17.610 44.636 1.00 0.00 C ATOM 3 C GLY A 1 -19.890 16.218 45.087 1.00 0.00 C ATOM 4 O GLY A 1 -18.868 16.078 45.757 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.636 19.482 45.416 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.976 18.211 46.489 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.365 18.615 46.135 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.341 17.554 44.212 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.678 17.970 43.847 1.00 0.00 H new ATOM 8 N SER A 2 -20.676 15.224 44.701 1.00 0.00 N ATOM 9 CA SER A 2 -20.373 13.848 45.058 1.00 0.00 C ATOM 10 C SER A 2 -21.216 12.891 44.213 1.00 0.00 C ATOM 11 O SER A 2 -22.375 12.631 44.533 1.00 0.00 O ATOM 12 CB SER A 2 -20.619 13.598 46.547 1.00 0.00 C ATOM 13 OG SER A 2 -19.662 14.265 47.365 1.00 0.00 O ATOM 0 H SER A 2 -21.522 15.344 44.144 1.00 0.00 H new ATOM 0 HA SER A 2 -19.317 13.667 44.857 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.621 13.937 46.811 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.582 12.527 46.746 1.00 0.00 H new ATOM 0 HG SER A 2 -19.019 14.738 46.797 1.00 0.00 H new ATOM 19 N SER A 3 -20.601 12.393 43.150 1.00 0.00 N ATOM 20 CA SER A 3 -21.280 11.470 42.257 1.00 0.00 C ATOM 21 C SER A 3 -20.366 11.109 41.084 1.00 0.00 C ATOM 22 O SER A 3 -19.379 11.796 40.827 1.00 0.00 O ATOM 23 CB SER A 3 -22.592 12.066 41.743 1.00 0.00 C ATOM 24 OG SER A 3 -23.712 11.635 42.511 1.00 0.00 O ATOM 0 H SER A 3 -19.640 12.611 42.887 1.00 0.00 H new ATOM 0 HA SER A 3 -21.518 10.565 42.816 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.531 13.154 41.770 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.736 11.781 40.701 1.00 0.00 H new ATOM 0 HG SER A 3 -23.597 11.916 43.443 1.00 0.00 H new ATOM 30 N GLY A 4 -20.728 10.031 40.404 1.00 0.00 N ATOM 31 CA GLY A 4 -19.953 9.569 39.265 1.00 0.00 C ATOM 32 C GLY A 4 -19.691 8.064 39.352 1.00 0.00 C ATOM 33 O GLY A 4 -19.352 7.551 40.417 1.00 0.00 O ATOM 0 H GLY A 4 -21.548 9.464 40.620 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.487 9.796 38.342 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.005 10.105 39.225 1.00 0.00 H new ATOM 37 N SER A 5 -19.860 7.400 38.219 1.00 0.00 N ATOM 38 CA SER A 5 -19.646 5.964 38.154 1.00 0.00 C ATOM 39 C SER A 5 -19.974 5.449 36.751 1.00 0.00 C ATOM 40 O SER A 5 -21.138 5.218 36.427 1.00 0.00 O ATOM 41 CB SER A 5 -20.493 5.234 39.198 1.00 0.00 C ATOM 42 OG SER A 5 -19.751 4.943 40.379 1.00 0.00 O ATOM 0 H SER A 5 -20.143 7.829 37.338 1.00 0.00 H new ATOM 0 HA SER A 5 -18.597 5.764 38.372 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.358 5.845 39.455 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.874 4.306 38.771 1.00 0.00 H new ATOM 0 HG SER A 5 -19.358 5.769 40.730 1.00 0.00 H new ATOM 48 N SER A 6 -18.926 5.285 35.956 1.00 0.00 N ATOM 49 CA SER A 6 -19.088 4.802 34.595 1.00 0.00 C ATOM 50 C SER A 6 -17.720 4.495 33.983 1.00 0.00 C ATOM 51 O SER A 6 -16.708 5.053 34.404 1.00 0.00 O ATOM 52 CB SER A 6 -19.838 5.820 33.735 1.00 0.00 C ATOM 53 OG SER A 6 -19.068 6.998 33.508 1.00 0.00 O ATOM 0 H SER A 6 -17.962 5.478 36.228 1.00 0.00 H new ATOM 0 HA SER A 6 -19.679 3.887 34.625 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.096 5.366 32.778 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.775 6.088 34.224 1.00 0.00 H new ATOM 0 HG SER A 6 -19.581 7.622 32.954 1.00 0.00 H new ATOM 59 N GLY A 7 -17.733 3.607 32.999 1.00 0.00 N ATOM 60 CA GLY A 7 -16.506 3.219 32.325 1.00 0.00 C ATOM 61 C GLY A 7 -16.689 1.903 31.567 1.00 0.00 C ATOM 62 O GLY A 7 -16.687 0.830 32.170 1.00 0.00 O ATOM 0 H GLY A 7 -18.574 3.145 32.653 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.204 4.004 31.631 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.704 3.114 33.055 1.00 0.00 H new ATOM 66 N VAL A 8 -16.844 2.027 30.257 1.00 0.00 N ATOM 67 CA VAL A 8 -17.028 0.861 29.411 1.00 0.00 C ATOM 68 C VAL A 8 -16.069 0.942 28.222 1.00 0.00 C ATOM 69 O VAL A 8 -15.965 1.982 27.574 1.00 0.00 O ATOM 70 CB VAL A 8 -18.494 0.746 28.990 1.00 0.00 C ATOM 71 CG1 VAL A 8 -18.679 -0.350 27.939 1.00 0.00 C ATOM 72 CG2 VAL A 8 -19.395 0.501 30.202 1.00 0.00 C ATOM 0 H VAL A 8 -16.846 2.918 29.761 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.789 -0.050 29.960 1.00 0.00 H new ATOM 0 HB VAL A 8 -18.788 1.694 28.540 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -19.730 -0.410 27.657 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -18.081 -0.115 27.059 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.358 -1.307 28.351 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -20.432 0.423 29.875 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -19.099 -0.426 30.694 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -19.297 1.331 30.902 1.00 0.00 H new ATOM 82 N VAL A 9 -15.392 -0.169 27.971 1.00 0.00 N ATOM 83 CA VAL A 9 -14.445 -0.237 26.871 1.00 0.00 C ATOM 84 C VAL A 9 -14.750 -1.468 26.016 1.00 0.00 C ATOM 85 O VAL A 9 -15.030 -2.542 26.546 1.00 0.00 O ATOM 86 CB VAL A 9 -13.014 -0.224 27.411 1.00 0.00 C ATOM 87 CG1 VAL A 9 -12.702 -1.515 28.170 1.00 0.00 C ATOM 88 CG2 VAL A 9 -12.005 0.008 26.285 1.00 0.00 C ATOM 0 H VAL A 9 -15.481 -1.030 28.511 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.544 0.638 26.228 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.929 0.606 28.113 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.678 -1.479 28.543 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -13.391 -1.620 29.009 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.814 -2.367 27.500 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.996 0.013 26.696 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.093 -0.790 25.548 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.207 0.967 25.808 1.00 0.00 H new ATOM 98 N ALA A 10 -14.686 -1.271 24.707 1.00 0.00 N ATOM 99 CA ALA A 10 -14.952 -2.352 23.774 1.00 0.00 C ATOM 100 C ALA A 10 -13.835 -2.404 22.729 1.00 0.00 C ATOM 101 O ALA A 10 -13.835 -1.624 21.777 1.00 0.00 O ATOM 102 CB ALA A 10 -16.332 -2.155 23.144 1.00 0.00 C ATOM 0 H ALA A 10 -14.454 -0.379 24.271 1.00 0.00 H new ATOM 0 HA ALA A 10 -14.964 -3.311 24.291 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -16.532 -2.966 22.444 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.092 -2.155 23.925 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.357 -1.203 22.613 1.00 0.00 H new ATOM 108 N PRO A 11 -12.887 -3.354 22.946 1.00 0.00 N ATOM 109 CA PRO A 11 -11.768 -3.517 22.034 1.00 0.00 C ATOM 110 C PRO A 11 -12.210 -4.205 20.741 1.00 0.00 C ATOM 111 O PRO A 11 -13.367 -4.602 20.609 1.00 0.00 O ATOM 112 CB PRO A 11 -10.740 -4.321 22.813 1.00 0.00 C ATOM 113 CG PRO A 11 -11.500 -4.974 23.956 1.00 0.00 C ATOM 114 CD PRO A 11 -12.856 -4.295 24.062 1.00 0.00 C ATOM 0 HA PRO A 11 -11.347 -2.565 21.710 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.269 -5.071 22.178 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.945 -3.678 23.190 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.621 -6.042 23.773 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.947 -4.871 24.890 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.668 -5.019 23.992 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.968 -3.781 25.017 1.00 0.00 H new ATOM 122 N ILE A 12 -11.266 -4.326 19.820 1.00 0.00 N ATOM 123 CA ILE A 12 -11.544 -4.959 18.542 1.00 0.00 C ATOM 124 C ILE A 12 -11.884 -6.433 18.771 1.00 0.00 C ATOM 125 O ILE A 12 -11.067 -7.188 19.295 1.00 0.00 O ATOM 126 CB ILE A 12 -10.381 -4.740 17.571 1.00 0.00 C ATOM 127 CG1 ILE A 12 -9.052 -5.154 18.206 1.00 0.00 C ATOM 128 CG2 ILE A 12 -10.351 -3.295 17.069 1.00 0.00 C ATOM 129 CD1 ILE A 12 -8.426 -6.328 17.450 1.00 0.00 C ATOM 0 H ILE A 12 -10.307 -3.996 19.933 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.413 -4.500 18.071 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.536 -5.380 16.702 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.365 -4.308 18.205 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.213 -5.432 19.248 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.516 -3.166 16.381 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -11.284 -3.070 16.553 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.232 -2.618 17.915 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.482 -6.603 17.921 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.105 -7.180 17.474 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.244 -6.039 16.415 1.00 0.00 H new ATOM 141 N THR A 13 -13.092 -6.798 18.367 1.00 0.00 N ATOM 142 CA THR A 13 -13.551 -8.168 18.522 1.00 0.00 C ATOM 143 C THR A 13 -13.890 -8.774 17.159 1.00 0.00 C ATOM 144 O THR A 13 -14.762 -8.272 16.452 1.00 0.00 O ATOM 145 CB THR A 13 -14.731 -8.164 19.496 1.00 0.00 C ATOM 146 OG1 THR A 13 -15.663 -7.261 18.909 1.00 0.00 O ATOM 147 CG2 THR A 13 -14.380 -7.518 20.838 1.00 0.00 C ATOM 0 H THR A 13 -13.767 -6.169 17.932 1.00 0.00 H new ATOM 0 HA THR A 13 -12.769 -8.802 18.939 1.00 0.00 H new ATOM 0 HB THR A 13 -15.067 -9.187 19.663 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.660 -7.375 17.936 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.252 -7.541 21.492 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.562 -8.068 21.304 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.076 -6.484 20.676 1.00 0.00 H new ATOM 155 N THR A 14 -13.182 -9.846 16.831 1.00 0.00 N ATOM 156 CA THR A 14 -13.397 -10.526 15.565 1.00 0.00 C ATOM 157 C THR A 14 -13.220 -9.551 14.399 1.00 0.00 C ATOM 158 O THR A 14 -13.670 -9.820 13.286 1.00 0.00 O ATOM 159 CB THR A 14 -14.781 -11.177 15.607 1.00 0.00 C ATOM 160 OG1 THR A 14 -15.668 -10.134 15.214 1.00 0.00 O ATOM 161 CG2 THR A 14 -15.222 -11.524 17.031 1.00 0.00 C ATOM 0 H THR A 14 -12.459 -10.260 17.420 1.00 0.00 H new ATOM 0 HA THR A 14 -12.657 -11.311 15.407 1.00 0.00 H new ATOM 0 HB THR A 14 -14.775 -12.081 14.998 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.772 -9.498 15.952 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.210 -11.983 17.004 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.510 -12.221 17.473 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.260 -10.615 17.632 1.00 0.00 H new ATOM 169 N GLY A 15 -12.564 -8.439 14.694 1.00 0.00 N ATOM 170 CA GLY A 15 -12.321 -7.422 13.685 1.00 0.00 C ATOM 171 C GLY A 15 -10.852 -7.411 13.260 1.00 0.00 C ATOM 172 O GLY A 15 -9.968 -7.150 14.075 1.00 0.00 O ATOM 0 H GLY A 15 -12.193 -8.219 15.618 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.953 -7.608 12.817 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -12.597 -6.443 14.077 1.00 0.00 H new ATOM 176 N TYR A 16 -10.635 -7.696 11.984 1.00 0.00 N ATOM 177 CA TYR A 16 -9.287 -7.722 11.442 1.00 0.00 C ATOM 178 C TYR A 16 -9.191 -6.873 10.173 1.00 0.00 C ATOM 179 O TYR A 16 -10.196 -6.627 9.508 1.00 0.00 O ATOM 180 CB TYR A 16 -9.004 -9.183 11.086 1.00 0.00 C ATOM 181 CG TYR A 16 -9.859 -9.721 9.938 1.00 0.00 C ATOM 182 CD1 TYR A 16 -9.672 -9.245 8.656 1.00 0.00 C ATOM 183 CD2 TYR A 16 -10.818 -10.683 10.183 1.00 0.00 C ATOM 184 CE1 TYR A 16 -10.477 -9.752 7.575 1.00 0.00 C ATOM 185 CE2 TYR A 16 -11.623 -11.190 9.102 1.00 0.00 C ATOM 186 CZ TYR A 16 -11.412 -10.699 7.851 1.00 0.00 C ATOM 187 OH TYR A 16 -12.173 -11.178 6.830 1.00 0.00 O ATOM 0 H TYR A 16 -11.370 -7.911 11.310 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.575 -7.322 12.164 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.952 -9.284 10.820 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.170 -9.800 11.969 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.922 -8.492 8.464 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.965 -11.056 11.186 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.341 -9.388 6.567 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.377 -11.943 9.280 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.798 -11.850 7.175 1.00 0.00 H new ATOM 197 N THR A 17 -7.972 -6.448 9.874 1.00 0.00 N ATOM 198 CA THR A 17 -7.731 -5.632 8.697 1.00 0.00 C ATOM 199 C THR A 17 -7.596 -6.515 7.454 1.00 0.00 C ATOM 200 O THR A 17 -7.110 -7.642 7.539 1.00 0.00 O ATOM 201 CB THR A 17 -6.498 -4.767 8.965 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.442 -4.673 10.386 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.685 -3.321 8.503 1.00 0.00 C ATOM 0 H THR A 17 -7.140 -6.654 10.427 1.00 0.00 H new ATOM 0 HA THR A 17 -8.573 -4.969 8.496 1.00 0.00 H new ATOM 0 HB THR A 17 -5.635 -5.200 8.460 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.670 -4.130 10.648 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.781 -2.751 8.717 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.880 -3.304 7.431 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.528 -2.876 9.032 1.00 0.00 H new ATOM 211 N VAL A 18 -8.034 -5.969 6.329 1.00 0.00 N ATOM 212 CA VAL A 18 -7.967 -6.692 5.071 1.00 0.00 C ATOM 213 C VAL A 18 -6.527 -6.679 4.555 1.00 0.00 C ATOM 214 O VAL A 18 -5.773 -5.749 4.834 1.00 0.00 O ATOM 215 CB VAL A 18 -8.965 -6.100 4.074 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.667 -6.578 2.651 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.404 -6.432 4.474 1.00 0.00 C ATOM 0 H VAL A 18 -8.437 -5.034 6.263 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.251 -7.735 5.214 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.854 -5.016 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.391 -6.143 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.662 -6.267 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.736 -7.665 2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.092 -5.999 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.535 -7.514 4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.611 -6.020 5.462 1.00 0.00 H new ATOM 227 N LYS A 19 -6.189 -7.723 3.813 1.00 0.00 N ATOM 228 CA LYS A 19 -4.852 -7.844 3.256 1.00 0.00 C ATOM 229 C LYS A 19 -4.894 -7.509 1.764 1.00 0.00 C ATOM 230 O LYS A 19 -5.523 -8.220 0.982 1.00 0.00 O ATOM 231 CB LYS A 19 -4.267 -9.225 3.560 1.00 0.00 C ATOM 232 CG LYS A 19 -3.071 -9.117 4.508 1.00 0.00 C ATOM 233 CD LYS A 19 -2.371 -10.468 4.663 1.00 0.00 C ATOM 234 CE LYS A 19 -0.918 -10.391 4.189 1.00 0.00 C ATOM 235 NZ LYS A 19 -0.154 -9.431 5.017 1.00 0.00 N ATOM 0 H LYS A 19 -6.818 -8.493 3.584 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.178 -7.128 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.034 -9.858 4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.958 -9.705 2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.365 -8.379 4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.406 -8.763 5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.400 -10.779 5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.905 -11.226 4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.458 -11.377 4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.886 -10.085 3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.851 -9.698 5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.256 -8.474 4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.519 -9.445 5.991 1.00 0.00 H new ATOM 249 N ILE A 20 -4.217 -6.426 1.414 1.00 0.00 N ATOM 250 CA ILE A 20 -4.169 -5.988 0.029 1.00 0.00 C ATOM 251 C ILE A 20 -3.276 -6.938 -0.771 1.00 0.00 C ATOM 252 O ILE A 20 -2.059 -6.946 -0.598 1.00 0.00 O ATOM 253 CB ILE A 20 -3.737 -4.522 -0.055 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.538 -3.658 0.921 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.833 -4.004 -1.491 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.144 -2.185 0.799 1.00 0.00 C ATOM 0 H ILE A 20 -3.697 -5.838 2.065 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.162 -6.030 -0.418 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.690 -4.456 0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.604 -3.771 0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.366 -4.001 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.521 -2.960 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.184 -4.597 -2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.863 -4.085 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.728 -1.593 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.083 -2.072 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.340 -1.839 -0.216 1.00 0.00 H new ATOM 268 N SER A 21 -3.917 -7.717 -1.631 1.00 0.00 N ATOM 269 CA SER A 21 -3.196 -8.670 -2.458 1.00 0.00 C ATOM 270 C SER A 21 -2.819 -8.023 -3.793 1.00 0.00 C ATOM 271 O SER A 21 -1.639 -7.835 -4.084 1.00 0.00 O ATOM 272 CB SER A 21 -4.028 -9.932 -2.697 1.00 0.00 C ATOM 273 OG SER A 21 -3.394 -11.095 -2.172 1.00 0.00 O ATOM 0 H SER A 21 -4.927 -7.707 -1.773 1.00 0.00 H new ATOM 0 HA SER A 21 -2.287 -8.961 -1.932 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.008 -9.813 -2.235 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.193 -10.060 -3.767 1.00 0.00 H new ATOM 0 HG SER A 21 -3.956 -11.879 -2.343 1.00 0.00 H new ATOM 279 N ASN A 22 -3.844 -7.701 -4.568 1.00 0.00 N ATOM 280 CA ASN A 22 -3.635 -7.079 -5.865 1.00 0.00 C ATOM 281 C ASN A 22 -3.395 -5.580 -5.674 1.00 0.00 C ATOM 282 O ASN A 22 -4.251 -4.874 -5.143 1.00 0.00 O ATOM 283 CB ASN A 22 -4.861 -7.251 -6.763 1.00 0.00 C ATOM 284 CG ASN A 22 -4.471 -7.848 -8.117 1.00 0.00 C ATOM 285 OD1 ASN A 22 -4.323 -9.048 -8.276 1.00 0.00 O ATOM 286 ND2 ASN A 22 -4.312 -6.945 -9.080 1.00 0.00 N ATOM 0 H ASN A 22 -4.821 -7.859 -4.323 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.775 -7.558 -6.334 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.588 -7.898 -6.272 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.344 -6.286 -6.913 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.050 -7.242 -10.020 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.452 -5.955 -8.879 1.00 0.00 H new ATOM 293 N TYR A 23 -2.227 -5.139 -6.118 1.00 0.00 N ATOM 294 CA TYR A 23 -1.864 -3.737 -6.003 1.00 0.00 C ATOM 295 C TYR A 23 -0.963 -3.307 -7.162 1.00 0.00 C ATOM 296 O TYR A 23 -0.006 -4.002 -7.500 1.00 0.00 O ATOM 297 CB TYR A 23 -1.086 -3.609 -4.692 1.00 0.00 C ATOM 298 CG TYR A 23 0.138 -4.523 -4.603 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.291 -4.202 -5.291 1.00 0.00 C ATOM 300 CD2 TYR A 23 0.088 -5.669 -3.836 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.442 -5.063 -5.207 1.00 0.00 C ATOM 302 CE2 TYR A 23 1.240 -6.529 -3.752 1.00 0.00 C ATOM 303 CZ TYR A 23 2.360 -6.184 -4.442 1.00 0.00 C ATOM 304 OH TYR A 23 3.447 -6.997 -4.363 1.00 0.00 O ATOM 0 H TYR A 23 -1.520 -5.728 -6.558 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.753 -3.107 -6.024 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.764 -2.575 -4.572 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.755 -3.833 -3.861 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.330 -3.305 -5.892 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.815 -5.921 -3.299 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.350 -4.824 -5.740 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.215 -7.428 -3.154 1.00 0.00 H new ATOM 0 HH TYR A 23 3.244 -7.759 -3.781 1.00 0.00 H new ATOM 314 N GLY A 24 -1.299 -2.162 -7.739 1.00 0.00 N ATOM 315 CA GLY A 24 -0.532 -1.632 -8.853 1.00 0.00 C ATOM 316 C GLY A 24 0.686 -0.851 -8.357 1.00 0.00 C ATOM 317 O GLY A 24 0.586 -0.072 -7.409 1.00 0.00 O ATOM 0 H GLY A 24 -2.092 -1.587 -7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.207 -2.449 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.164 -0.982 -9.458 1.00 0.00 H new ATOM 321 N TRP A 25 1.810 -1.085 -9.019 1.00 0.00 N ATOM 322 CA TRP A 25 3.046 -0.414 -8.657 1.00 0.00 C ATOM 323 C TRP A 25 3.823 -0.127 -9.944 1.00 0.00 C ATOM 324 O TRP A 25 3.793 -0.923 -10.881 1.00 0.00 O ATOM 325 CB TRP A 25 3.845 -1.241 -7.648 1.00 0.00 C ATOM 326 CG TRP A 25 4.560 -2.447 -8.260 1.00 0.00 C ATOM 327 CD1 TRP A 25 4.122 -3.710 -8.347 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.868 -2.452 -8.872 1.00 0.00 C ATOM 329 NE1 TRP A 25 5.046 -4.526 -8.967 1.00 0.00 N ATOM 330 CE2 TRP A 25 6.142 -3.736 -9.296 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.788 -1.406 -9.060 1.00 0.00 C ATOM 332 CZ2 TRP A 25 7.335 -4.094 -9.936 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.975 -1.780 -9.700 1.00 0.00 C ATOM 334 CH2 TRP A 25 8.267 -3.068 -10.134 1.00 0.00 C ATOM 0 H TRP A 25 1.890 -1.731 -9.805 1.00 0.00 H new ATOM 0 HA TRP A 25 2.838 0.532 -8.157 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.584 -0.598 -7.170 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.172 -1.590 -6.865 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.165 -4.048 -7.978 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.944 -5.524 -9.150 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.594 -0.394 -8.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.526 -5.107 -10.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.717 -1.014 -9.869 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.208 -3.276 -10.621 1.00 0.00 H new ATOM 345 N ASP A 26 4.500 1.011 -9.947 1.00 0.00 N ATOM 346 CA ASP A 26 5.284 1.413 -11.103 1.00 0.00 C ATOM 347 C ASP A 26 6.630 1.966 -10.634 1.00 0.00 C ATOM 348 O ASP A 26 6.826 2.207 -9.444 1.00 0.00 O ATOM 349 CB ASP A 26 4.572 2.510 -11.897 1.00 0.00 C ATOM 350 CG ASP A 26 3.083 2.264 -12.148 1.00 0.00 C ATOM 351 OD1 ASP A 26 2.650 1.115 -11.915 1.00 0.00 O ATOM 352 OD2 ASP A 26 2.410 3.231 -12.566 1.00 0.00 O ATOM 0 H ASP A 26 4.522 1.668 -9.167 1.00 0.00 H new ATOM 0 HA ASP A 26 5.420 0.538 -11.739 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.684 3.454 -11.364 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.073 2.625 -12.858 1.00 0.00 H new ATOM 357 N GLN A 27 7.524 2.153 -11.594 1.00 0.00 N ATOM 358 CA GLN A 27 8.847 2.674 -11.294 1.00 0.00 C ATOM 359 C GLN A 27 9.363 3.517 -12.462 1.00 0.00 C ATOM 360 O GLN A 27 9.096 3.206 -13.622 1.00 0.00 O ATOM 361 CB GLN A 27 9.821 1.541 -10.963 1.00 0.00 C ATOM 362 CG GLN A 27 10.116 0.693 -12.202 1.00 0.00 C ATOM 363 CD GLN A 27 9.093 -0.435 -12.351 1.00 0.00 C ATOM 364 OE1 GLN A 27 7.984 -0.372 -11.847 1.00 0.00 O ATOM 365 NE2 GLN A 27 9.526 -1.466 -13.070 1.00 0.00 N ATOM 0 H GLN A 27 7.358 1.953 -12.580 1.00 0.00 H new ATOM 0 HA GLN A 27 8.773 3.314 -10.414 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.750 1.957 -10.573 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.400 0.912 -10.179 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.099 1.324 -13.091 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.119 0.272 -12.129 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.467 -1.454 -13.464 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.917 -2.269 -13.228 1.00 0.00 H new ATOM 374 N SER A 28 10.093 4.567 -12.116 1.00 0.00 N ATOM 375 CA SER A 28 10.648 5.457 -13.121 1.00 0.00 C ATOM 376 C SER A 28 12.064 5.877 -12.723 1.00 0.00 C ATOM 377 O SER A 28 12.390 5.928 -11.538 1.00 0.00 O ATOM 378 CB SER A 28 9.763 6.690 -13.315 1.00 0.00 C ATOM 379 OG SER A 28 8.835 6.518 -14.382 1.00 0.00 O ATOM 0 H SER A 28 10.313 4.821 -11.153 1.00 0.00 H new ATOM 0 HA SER A 28 10.688 4.920 -14.069 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.220 6.896 -12.392 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.390 7.558 -13.516 1.00 0.00 H new ATOM 0 HG SER A 28 8.288 7.326 -14.473 1.00 0.00 H new ATOM 385 N ASP A 29 12.868 6.167 -13.736 1.00 0.00 N ATOM 386 CA ASP A 29 14.242 6.581 -13.506 1.00 0.00 C ATOM 387 C ASP A 29 14.249 7.916 -12.758 1.00 0.00 C ATOM 388 O ASP A 29 14.483 8.965 -13.355 1.00 0.00 O ATOM 389 CB ASP A 29 14.987 6.776 -14.828 1.00 0.00 C ATOM 390 CG ASP A 29 15.025 5.546 -15.736 1.00 0.00 C ATOM 391 OD1 ASP A 29 15.504 4.498 -15.251 1.00 0.00 O ATOM 392 OD2 ASP A 29 14.576 5.681 -16.895 1.00 0.00 O ATOM 0 H ASP A 29 12.594 6.123 -14.718 1.00 0.00 H new ATOM 0 HA ASP A 29 14.736 5.802 -12.925 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.521 7.597 -15.373 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.011 7.079 -14.609 1.00 0.00 H new ATOM 397 N LYS A 30 13.990 7.832 -11.461 1.00 0.00 N ATOM 398 CA LYS A 30 13.964 9.020 -10.625 1.00 0.00 C ATOM 399 C LYS A 30 13.431 8.652 -9.239 1.00 0.00 C ATOM 400 O LYS A 30 14.081 8.917 -8.229 1.00 0.00 O ATOM 401 CB LYS A 30 13.177 10.140 -11.309 1.00 0.00 C ATOM 402 CG LYS A 30 14.082 11.332 -11.627 1.00 0.00 C ATOM 403 CD LYS A 30 13.295 12.450 -12.313 1.00 0.00 C ATOM 404 CE LYS A 30 13.138 12.172 -13.809 1.00 0.00 C ATOM 405 NZ LYS A 30 11.745 12.428 -14.240 1.00 0.00 N ATOM 0 H LYS A 30 13.796 6.960 -10.969 1.00 0.00 H new ATOM 0 HA LYS A 30 14.972 9.410 -10.486 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.728 9.764 -12.228 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.360 10.462 -10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.530 11.709 -10.707 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.900 11.010 -12.271 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.312 12.543 -11.852 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.807 13.401 -12.168 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.822 12.803 -14.376 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.407 11.138 -14.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.655 12.235 -15.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.099 11.808 -13.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.501 13.422 -14.054 1.00 0.00 H new ATOM 419 N PHE A 31 12.253 8.045 -9.235 1.00 0.00 N ATOM 420 CA PHE A 31 11.625 7.638 -7.990 1.00 0.00 C ATOM 421 C PHE A 31 10.649 6.483 -8.220 1.00 0.00 C ATOM 422 O PHE A 31 10.297 6.180 -9.360 1.00 0.00 O ATOM 423 CB PHE A 31 10.850 8.847 -7.462 1.00 0.00 C ATOM 424 CG PHE A 31 11.691 10.120 -7.341 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.701 10.183 -6.432 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.428 11.188 -8.141 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.482 11.364 -6.319 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.209 12.368 -8.028 1.00 0.00 C ATOM 429 CZ PHE A 31 13.219 12.432 -7.120 1.00 0.00 C ATOM 0 H PHE A 31 11.717 7.825 -10.075 1.00 0.00 H new ATOM 0 HA PHE A 31 12.384 7.302 -7.284 1.00 0.00 H new ATOM 0 HB2 PHE A 31 10.006 9.042 -8.124 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.437 8.602 -6.483 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.909 9.335 -5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.625 11.138 -8.862 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.284 11.414 -5.598 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.001 13.216 -8.664 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.812 13.330 -7.035 1.00 0.00 H new ATOM 439 N VAL A 32 10.238 5.869 -7.121 1.00 0.00 N ATOM 440 CA VAL A 32 9.309 4.754 -7.189 1.00 0.00 C ATOM 441 C VAL A 32 7.991 5.151 -6.520 1.00 0.00 C ATOM 442 O VAL A 32 7.991 5.844 -5.503 1.00 0.00 O ATOM 443 CB VAL A 32 9.941 3.507 -6.568 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.876 2.461 -6.232 1.00 0.00 C ATOM 445 CG2 VAL A 32 11.015 2.920 -7.487 1.00 0.00 C ATOM 0 H VAL A 32 10.531 6.123 -6.178 1.00 0.00 H new ATOM 0 HA VAL A 32 9.086 4.507 -8.227 1.00 0.00 H new ATOM 0 HB VAL A 32 10.423 3.805 -5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.352 1.585 -5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.164 2.882 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.352 2.170 -7.142 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.448 2.035 -7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.566 2.645 -8.442 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.797 3.661 -7.653 1.00 0.00 H new ATOM 455 N LYS A 33 6.900 4.697 -7.118 1.00 0.00 N ATOM 456 CA LYS A 33 5.579 4.997 -6.594 1.00 0.00 C ATOM 457 C LYS A 33 4.652 3.806 -6.847 1.00 0.00 C ATOM 458 O LYS A 33 4.813 3.088 -7.832 1.00 0.00 O ATOM 459 CB LYS A 33 5.059 6.314 -7.172 1.00 0.00 C ATOM 460 CG LYS A 33 3.560 6.476 -6.908 1.00 0.00 C ATOM 461 CD LYS A 33 3.150 7.949 -6.960 1.00 0.00 C ATOM 462 CE LYS A 33 3.901 8.688 -8.070 1.00 0.00 C ATOM 463 NZ LYS A 33 3.060 9.768 -8.634 1.00 0.00 N ATOM 0 H LYS A 33 6.904 4.123 -7.961 1.00 0.00 H new ATOM 0 HA LYS A 33 5.622 5.145 -5.515 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.602 7.149 -6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.248 6.344 -8.245 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.994 5.911 -7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.312 6.060 -5.931 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.076 8.026 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.356 8.422 -6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.826 9.108 -7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.180 7.988 -8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.584 10.260 -9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.189 9.359 -9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.815 10.445 -7.883 1.00 0.00 H new ATOM 477 N ILE A 34 3.702 3.633 -5.939 1.00 0.00 N ATOM 478 CA ILE A 34 2.749 2.542 -6.052 1.00 0.00 C ATOM 479 C ILE A 34 1.329 3.111 -6.086 1.00 0.00 C ATOM 480 O ILE A 34 1.063 4.159 -5.500 1.00 0.00 O ATOM 481 CB ILE A 34 2.974 1.517 -4.938 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.357 0.875 -5.055 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.856 0.473 -4.920 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.304 1.412 -3.980 1.00 0.00 C ATOM 0 H ILE A 34 3.572 4.230 -5.122 1.00 0.00 H new ATOM 0 HA ILE A 34 2.898 2.002 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 34 2.942 2.039 -3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.269 -0.207 -4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.772 1.075 -6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.040 -0.243 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.899 0.967 -4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.831 -0.050 -5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.280 0.939 -4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.409 2.491 -4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.898 1.189 -2.993 1.00 0.00 H new ATOM 496 N TYR A 35 0.456 2.396 -6.780 1.00 0.00 N ATOM 497 CA TYR A 35 -0.930 2.817 -6.898 1.00 0.00 C ATOM 498 C TYR A 35 -1.882 1.648 -6.640 1.00 0.00 C ATOM 499 O TYR A 35 -2.055 0.783 -7.497 1.00 0.00 O ATOM 500 CB TYR A 35 -1.104 3.292 -8.342 1.00 0.00 C ATOM 501 CG TYR A 35 0.095 4.068 -8.891 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.291 3.419 -9.118 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.020 5.417 -9.160 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.420 4.149 -9.635 1.00 0.00 C ATOM 505 CE2 TYR A 35 1.108 6.147 -9.677 1.00 0.00 C ATOM 506 CZ TYR A 35 2.273 5.477 -9.889 1.00 0.00 C ATOM 507 OH TYR A 35 3.338 6.167 -10.377 1.00 0.00 O ATOM 0 H TYR A 35 0.681 1.528 -7.266 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.158 3.596 -6.171 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.286 2.426 -8.979 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.990 3.923 -8.402 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.381 2.363 -8.908 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.956 5.925 -8.983 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.362 3.653 -9.817 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.031 7.203 -9.892 1.00 0.00 H new ATOM 0 HH TYR A 35 3.087 7.105 -10.511 1.00 0.00 H new ATOM 517 N ILE A 36 -2.475 1.660 -5.455 1.00 0.00 N ATOM 518 CA ILE A 36 -3.405 0.611 -5.073 1.00 0.00 C ATOM 519 C ILE A 36 -4.838 1.124 -5.232 1.00 0.00 C ATOM 520 O ILE A 36 -5.102 2.309 -5.038 1.00 0.00 O ATOM 521 CB ILE A 36 -3.088 0.100 -3.667 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.696 -0.533 -3.614 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.173 -0.861 -3.175 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.734 0.325 -2.790 1.00 0.00 C ATOM 0 H ILE A 36 -2.329 2.380 -4.747 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.299 -0.251 -5.732 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.080 0.953 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.763 -1.530 -3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.308 -0.651 -4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.923 -1.210 -2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.133 -0.345 -3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.237 -1.714 -3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.248 -0.148 -2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.651 1.314 -3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.113 0.421 -1.772 1.00 0.00 H new ATOM 536 N THR A 37 -5.725 0.205 -5.585 1.00 0.00 N ATOM 537 CA THR A 37 -7.124 0.549 -5.773 1.00 0.00 C ATOM 538 C THR A 37 -7.906 0.330 -4.476 1.00 0.00 C ATOM 539 O THR A 37 -8.214 -0.806 -4.117 1.00 0.00 O ATOM 540 CB THR A 37 -7.659 -0.268 -6.950 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.102 0.369 -8.097 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.170 -0.112 -7.134 1.00 0.00 C ATOM 0 H THR A 37 -5.502 -0.777 -5.746 1.00 0.00 H new ATOM 0 HA THR A 37 -7.242 1.606 -6.013 1.00 0.00 H new ATOM 0 HB THR A 37 -7.419 -1.320 -6.799 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.397 -0.099 -8.906 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.497 -0.713 -7.983 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.683 -0.448 -6.233 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.408 0.936 -7.318 1.00 0.00 H new ATOM 550 N LEU A 38 -8.205 1.434 -3.808 1.00 0.00 N ATOM 551 CA LEU A 38 -8.945 1.377 -2.559 1.00 0.00 C ATOM 552 C LEU A 38 -9.998 2.487 -2.543 1.00 0.00 C ATOM 553 O LEU A 38 -9.684 3.641 -2.255 1.00 0.00 O ATOM 554 CB LEU A 38 -7.988 1.420 -1.367 1.00 0.00 C ATOM 555 CG LEU A 38 -8.273 0.425 -0.240 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.778 0.207 -0.071 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.525 -0.890 -0.467 1.00 0.00 C ATOM 0 H LEU A 38 -7.948 2.374 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.479 0.430 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.976 1.244 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.005 2.426 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.901 0.849 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.954 -0.504 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.258 1.155 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.195 -0.186 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.745 -1.579 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.844 -1.331 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.453 -0.698 -0.500 1.00 0.00 H new ATOM 569 N THR A 39 -11.225 2.099 -2.857 1.00 0.00 N ATOM 570 CA THR A 39 -12.326 3.048 -2.883 1.00 0.00 C ATOM 571 C THR A 39 -12.751 3.409 -1.458 1.00 0.00 C ATOM 572 O THR A 39 -13.290 2.572 -0.736 1.00 0.00 O ATOM 573 CB THR A 39 -13.454 2.440 -3.718 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.199 2.907 -5.039 1.00 0.00 O ATOM 575 CG2 THR A 39 -14.823 3.030 -3.372 1.00 0.00 C ATOM 0 H THR A 39 -11.482 1.141 -3.096 1.00 0.00 H new ATOM 0 HA THR A 39 -12.028 3.988 -3.348 1.00 0.00 H new ATOM 0 HB THR A 39 -13.475 1.361 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 39 -13.884 2.558 -5.647 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.588 2.564 -3.993 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.045 2.842 -2.321 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.813 4.105 -3.554 1.00 0.00 H new ATOM 583 N GLY A 40 -12.493 4.657 -1.097 1.00 0.00 N ATOM 584 CA GLY A 40 -12.842 5.140 0.229 1.00 0.00 C ATOM 585 C GLY A 40 -11.604 5.645 0.972 1.00 0.00 C ATOM 586 O GLY A 40 -11.713 6.471 1.878 1.00 0.00 O ATOM 0 H GLY A 40 -12.046 5.349 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.574 5.944 0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.311 4.339 0.800 1.00 0.00 H new ATOM 590 N VAL A 41 -10.455 5.129 0.562 1.00 0.00 N ATOM 591 CA VAL A 41 -9.198 5.517 1.178 1.00 0.00 C ATOM 592 C VAL A 41 -9.030 7.034 1.072 1.00 0.00 C ATOM 593 O VAL A 41 -8.255 7.630 1.818 1.00 0.00 O ATOM 594 CB VAL A 41 -8.042 4.742 0.542 1.00 0.00 C ATOM 595 CG1 VAL A 41 -7.856 5.139 -0.923 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.748 4.941 1.333 1.00 0.00 C ATOM 0 H VAL A 41 -10.368 4.445 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.198 5.263 2.238 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.293 3.682 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.028 4.574 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.769 4.922 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.638 6.205 -0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.942 4.380 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.491 6.000 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.887 4.585 2.354 1.00 0.00 H new ATOM 606 N HIS A 42 -9.768 7.615 0.138 1.00 0.00 N ATOM 607 CA HIS A 42 -9.711 9.051 -0.076 1.00 0.00 C ATOM 608 C HIS A 42 -10.745 9.744 0.813 1.00 0.00 C ATOM 609 O HIS A 42 -10.817 10.972 0.847 1.00 0.00 O ATOM 610 CB HIS A 42 -9.884 9.387 -1.559 1.00 0.00 C ATOM 611 CG HIS A 42 -11.315 9.338 -2.037 1.00 0.00 C ATOM 612 ND1 HIS A 42 -11.975 8.152 -2.309 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.206 10.340 -2.288 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.206 8.439 -2.705 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.347 9.796 -2.692 1.00 0.00 N ATOM 0 H HIS A 42 -10.409 7.117 -0.480 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.728 9.426 0.209 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.484 10.384 -1.744 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.290 8.690 -2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.015 11.397 -2.177 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.965 7.724 -2.988 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.191 10.308 -2.950 1.00 0.00 H new ATOM 623 N GLN A 43 -11.521 8.927 1.511 1.00 0.00 N ATOM 624 CA GLN A 43 -12.548 9.446 2.398 1.00 0.00 C ATOM 625 C GLN A 43 -12.088 9.354 3.854 1.00 0.00 C ATOM 626 O GLN A 43 -12.581 10.084 4.712 1.00 0.00 O ATOM 627 CB GLN A 43 -13.873 8.709 2.193 1.00 0.00 C ATOM 628 CG GLN A 43 -14.407 8.924 0.775 1.00 0.00 C ATOM 629 CD GLN A 43 -15.897 8.586 0.693 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.564 8.358 1.689 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.379 8.567 -0.546 1.00 0.00 N ATOM 0 H GLN A 43 -11.459 7.909 1.480 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.713 10.496 2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.732 7.643 2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.606 9.062 2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.249 9.960 0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.850 8.302 0.075 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.765 8.767 -1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.363 8.352 -0.707 1.00 0.00 H new ATOM 640 N VAL A 44 -11.149 8.449 4.088 1.00 0.00 N ATOM 641 CA VAL A 44 -10.617 8.251 5.426 1.00 0.00 C ATOM 642 C VAL A 44 -9.540 9.302 5.702 1.00 0.00 C ATOM 643 O VAL A 44 -8.882 9.779 4.779 1.00 0.00 O ATOM 644 CB VAL A 44 -10.107 6.816 5.579 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.221 5.805 5.301 1.00 0.00 C ATOM 646 CG2 VAL A 44 -8.899 6.565 4.673 1.00 0.00 C ATOM 0 H VAL A 44 -10.743 7.845 3.374 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.400 8.384 6.173 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.785 6.683 6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.832 4.794 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.039 5.962 6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.588 5.938 4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.556 5.538 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.184 6.726 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.096 7.252 4.939 1.00 0.00 H new ATOM 656 N PRO A 45 -9.390 9.640 7.011 1.00 0.00 N ATOM 657 CA PRO A 45 -8.404 10.625 7.421 1.00 0.00 C ATOM 658 C PRO A 45 -6.991 10.040 7.374 1.00 0.00 C ATOM 659 O PRO A 45 -6.820 8.838 7.175 1.00 0.00 O ATOM 660 CB PRO A 45 -8.827 11.047 8.819 1.00 0.00 C ATOM 661 CG PRO A 45 -9.754 9.952 9.322 1.00 0.00 C ATOM 662 CD PRO A 45 -10.152 9.095 8.131 1.00 0.00 C ATOM 0 HA PRO A 45 -8.367 11.486 6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.962 11.157 9.472 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.336 12.011 8.799 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.254 9.346 10.078 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.637 10.385 9.793 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.911 8.045 8.300 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.224 9.150 7.944 1.00 0.00 H new ATOM 670 N THR A 46 -6.016 10.917 7.561 1.00 0.00 N ATOM 671 CA THR A 46 -4.623 10.502 7.542 1.00 0.00 C ATOM 672 C THR A 46 -4.273 9.753 8.830 1.00 0.00 C ATOM 673 O THR A 46 -3.158 9.255 8.979 1.00 0.00 O ATOM 674 CB THR A 46 -3.762 11.745 7.309 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.438 11.232 7.187 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.699 12.652 8.540 1.00 0.00 C ATOM 0 H THR A 46 -6.162 11.913 7.726 1.00 0.00 H new ATOM 0 HA THR A 46 -4.430 9.799 6.731 1.00 0.00 H new ATOM 0 HB THR A 46 -4.157 12.308 6.463 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.359 10.405 7.706 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.076 13.519 8.322 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.704 12.984 8.799 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.272 12.100 9.377 1.00 0.00 H new ATOM 684 N GLU A 47 -5.246 9.696 9.727 1.00 0.00 N ATOM 685 CA GLU A 47 -5.055 9.016 10.997 1.00 0.00 C ATOM 686 C GLU A 47 -5.271 7.511 10.831 1.00 0.00 C ATOM 687 O GLU A 47 -4.763 6.716 11.620 1.00 0.00 O ATOM 688 CB GLU A 47 -5.983 9.588 12.070 1.00 0.00 C ATOM 689 CG GLU A 47 -7.440 9.218 11.790 1.00 0.00 C ATOM 690 CD GLU A 47 -8.113 8.652 13.042 1.00 0.00 C ATOM 691 OE1 GLU A 47 -7.680 7.562 13.476 1.00 0.00 O ATOM 692 OE2 GLU A 47 -9.045 9.322 13.538 1.00 0.00 O ATOM 0 H GLU A 47 -6.170 10.110 9.600 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.029 9.182 11.325 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.690 9.209 13.049 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.880 10.673 12.104 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.983 10.099 11.448 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.484 8.484 10.986 1.00 0.00 H new ATOM 699 N ASN A 48 -6.026 7.164 9.798 1.00 0.00 N ATOM 700 CA ASN A 48 -6.316 5.768 9.519 1.00 0.00 C ATOM 701 C ASN A 48 -5.292 5.230 8.517 1.00 0.00 C ATOM 702 O ASN A 48 -5.080 4.021 8.429 1.00 0.00 O ATOM 703 CB ASN A 48 -7.708 5.607 8.905 1.00 0.00 C ATOM 704 CG ASN A 48 -8.791 5.648 9.984 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.542 5.432 11.159 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.004 5.938 9.522 1.00 0.00 N ATOM 0 H ASN A 48 -6.445 7.826 9.145 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.271 5.219 10.460 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.883 6.401 8.179 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.764 4.662 8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.795 5.991 10.164 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.143 6.108 8.526 1.00 0.00 H new ATOM 713 N VAL A 49 -4.684 6.153 7.787 1.00 0.00 N ATOM 714 CA VAL A 49 -3.687 5.787 6.795 1.00 0.00 C ATOM 715 C VAL A 49 -2.291 5.926 7.405 1.00 0.00 C ATOM 716 O VAL A 49 -1.696 7.002 7.363 1.00 0.00 O ATOM 717 CB VAL A 49 -3.874 6.628 5.531 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.966 6.131 4.403 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.339 6.639 5.091 1.00 0.00 C ATOM 0 H VAL A 49 -4.863 7.154 7.863 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.809 4.745 6.497 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.587 7.653 5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.118 6.746 3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.925 6.199 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.208 5.094 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.444 7.244 4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.664 5.620 4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.954 7.061 5.885 1.00 0.00 H new ATOM 729 N GLN A 50 -1.809 4.824 7.959 1.00 0.00 N ATOM 730 CA GLN A 50 -0.494 4.809 8.577 1.00 0.00 C ATOM 731 C GLN A 50 0.494 4.033 7.705 1.00 0.00 C ATOM 732 O GLN A 50 0.392 2.814 7.579 1.00 0.00 O ATOM 733 CB GLN A 50 -0.558 4.222 9.988 1.00 0.00 C ATOM 734 CG GLN A 50 -0.767 5.322 11.031 1.00 0.00 C ATOM 735 CD GLN A 50 -0.353 4.844 12.424 1.00 0.00 C ATOM 736 OE1 GLN A 50 0.812 4.624 12.712 1.00 0.00 O ATOM 737 NE2 GLN A 50 -1.369 4.694 13.269 1.00 0.00 N ATOM 0 H GLN A 50 -2.306 3.934 7.993 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.143 5.837 8.662 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.372 3.499 10.048 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.364 3.682 10.203 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.186 6.202 10.757 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.815 5.623 11.042 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.321 4.896 12.963 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.196 4.377 14.223 1.00 0.00 H new ATOM 746 N VAL A 51 1.428 4.772 7.124 1.00 0.00 N ATOM 747 CA VAL A 51 2.434 4.168 6.267 1.00 0.00 C ATOM 748 C VAL A 51 3.822 4.638 6.707 1.00 0.00 C ATOM 749 O VAL A 51 4.017 5.816 7.004 1.00 0.00 O ATOM 750 CB VAL A 51 2.132 4.486 4.801 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.463 5.855 4.664 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.401 4.407 3.950 1.00 0.00 C ATOM 0 H VAL A 51 1.509 5.783 7.230 1.00 0.00 H new ATOM 0 HA VAL A 51 2.414 3.082 6.361 1.00 0.00 H new ATOM 0 HB VAL A 51 1.435 3.734 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.259 6.057 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.527 5.860 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.126 6.625 5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.158 4.637 2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.132 5.126 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.818 3.402 4.011 1.00 0.00 H new ATOM 762 N HIS A 52 4.751 3.694 6.734 1.00 0.00 N ATOM 763 CA HIS A 52 6.115 3.997 7.133 1.00 0.00 C ATOM 764 C HIS A 52 7.083 3.535 6.042 1.00 0.00 C ATOM 765 O HIS A 52 6.944 2.435 5.508 1.00 0.00 O ATOM 766 CB HIS A 52 6.429 3.389 8.501 1.00 0.00 C ATOM 767 CG HIS A 52 7.887 3.465 8.887 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.510 4.652 9.232 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.837 2.490 8.979 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.778 4.391 9.517 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.978 3.051 9.359 1.00 0.00 N ATOM 0 H HIS A 52 4.586 2.718 6.486 1.00 0.00 H new ATOM 0 HA HIS A 52 6.235 5.075 7.244 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.836 3.900 9.259 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.117 2.345 8.503 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.686 1.440 8.777 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.522 5.113 9.821 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.860 2.561 9.508 1.00 0.00 H new ATOM 779 N PHE A 53 8.043 4.398 5.743 1.00 0.00 N ATOM 780 CA PHE A 53 9.034 4.092 4.725 1.00 0.00 C ATOM 781 C PHE A 53 10.372 3.710 5.361 1.00 0.00 C ATOM 782 O PHE A 53 10.749 4.253 6.398 1.00 0.00 O ATOM 783 CB PHE A 53 9.223 5.360 3.890 1.00 0.00 C ATOM 784 CG PHE A 53 7.935 5.880 3.247 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.164 5.046 2.499 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.562 7.175 3.424 1.00 0.00 C ATOM 787 CE1 PHE A 53 5.970 5.528 1.902 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.367 7.657 2.828 1.00 0.00 C ATOM 789 CZ PHE A 53 5.596 6.824 2.079 1.00 0.00 C ATOM 0 H PHE A 53 8.156 5.309 6.188 1.00 0.00 H new ATOM 0 HA PHE A 53 8.697 3.252 4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.641 6.141 4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.954 5.161 3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.460 4.017 2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.175 7.837 4.018 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.358 4.866 1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.070 8.686 2.970 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.687 7.191 1.625 1.00 0.00 H new ATOM 799 N THR A 54 11.054 2.778 4.712 1.00 0.00 N ATOM 800 CA THR A 54 12.342 2.317 5.200 1.00 0.00 C ATOM 801 C THR A 54 13.393 2.396 4.091 1.00 0.00 C ATOM 802 O THR A 54 13.179 3.055 3.075 1.00 0.00 O ATOM 803 CB THR A 54 12.157 0.906 5.762 1.00 0.00 C ATOM 804 OG1 THR A 54 11.473 0.207 4.726 1.00 0.00 O ATOM 805 CG2 THR A 54 11.185 0.868 6.943 1.00 0.00 C ATOM 0 H THR A 54 10.738 2.330 3.852 1.00 0.00 H new ATOM 0 HA THR A 54 12.713 2.956 6.001 1.00 0.00 H new ATOM 0 HB THR A 54 13.123 0.511 6.075 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.529 0.720 3.893 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.090 -0.156 7.303 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.563 1.502 7.746 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.209 1.232 6.623 1.00 0.00 H new ATOM 813 N GLU A 55 14.505 1.715 4.323 1.00 0.00 N ATOM 814 CA GLU A 55 15.590 1.700 3.356 1.00 0.00 C ATOM 815 C GLU A 55 15.254 0.759 2.197 1.00 0.00 C ATOM 816 O GLU A 55 15.509 1.081 1.037 1.00 0.00 O ATOM 817 CB GLU A 55 16.910 1.304 4.019 1.00 0.00 C ATOM 818 CG GLU A 55 17.198 -0.186 3.821 1.00 0.00 C ATOM 819 CD GLU A 55 18.401 -0.628 4.657 1.00 0.00 C ATOM 820 OE1 GLU A 55 18.289 -0.546 5.899 1.00 0.00 O ATOM 821 OE2 GLU A 55 19.405 -1.038 4.035 1.00 0.00 O ATOM 0 H GLU A 55 14.679 1.169 5.167 1.00 0.00 H new ATOM 0 HA GLU A 55 15.710 2.707 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.724 1.894 3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.869 1.532 5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.321 -0.770 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.390 -0.386 2.767 1.00 0.00 H new ATOM 828 N ARG A 56 14.687 -0.385 2.550 1.00 0.00 N ATOM 829 CA ARG A 56 14.314 -1.375 1.554 1.00 0.00 C ATOM 830 C ARG A 56 12.982 -2.027 1.927 1.00 0.00 C ATOM 831 O ARG A 56 12.891 -3.250 2.023 1.00 0.00 O ATOM 832 CB ARG A 56 15.387 -2.458 1.425 1.00 0.00 C ATOM 833 CG ARG A 56 16.709 -1.866 0.934 1.00 0.00 C ATOM 834 CD ARG A 56 17.017 -2.322 -0.494 1.00 0.00 C ATOM 835 NE ARG A 56 18.012 -3.418 -0.471 1.00 0.00 N ATOM 836 CZ ARG A 56 18.412 -4.092 -1.558 1.00 0.00 C ATOM 837 NH1 ARG A 56 17.905 -3.787 -2.760 1.00 0.00 N ATOM 838 NH2 ARG A 56 19.320 -5.070 -1.443 1.00 0.00 N ATOM 0 H ARG A 56 14.477 -0.649 3.513 1.00 0.00 H new ATOM 0 HA ARG A 56 14.216 -0.862 0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.538 -2.942 2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.050 -3.228 0.731 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.660 -0.778 0.969 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.517 -2.170 1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 56 16.103 -2.660 -0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.399 -1.485 -1.078 1.00 0.00 H new ATOM 0 HE ARG A 56 18.418 -3.676 0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 56 17.214 -3.042 -2.848 1.00 0.00 H new ATOM 0 HH12 ARG A 56 18.210 -4.300 -3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 56 19.707 -5.302 -0.528 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.624 -5.583 -2.270 1.00 0.00 H new ATOM 852 N SER A 57 11.981 -1.182 2.126 1.00 0.00 N ATOM 853 CA SER A 57 10.657 -1.662 2.487 1.00 0.00 C ATOM 854 C SER A 57 9.728 -0.477 2.761 1.00 0.00 C ATOM 855 O SER A 57 10.172 0.669 2.794 1.00 0.00 O ATOM 856 CB SER A 57 10.718 -2.582 3.707 1.00 0.00 C ATOM 857 OG SER A 57 10.352 -1.905 4.906 1.00 0.00 O ATOM 0 H SER A 57 12.060 -0.168 2.044 1.00 0.00 H new ATOM 0 HA SER A 57 10.263 -2.239 1.651 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.053 -3.432 3.553 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.727 -2.981 3.810 1.00 0.00 H new ATOM 0 HG SER A 57 10.954 -1.145 5.050 1.00 0.00 H new ATOM 863 N PHE A 58 8.456 -0.795 2.951 1.00 0.00 N ATOM 864 CA PHE A 58 7.461 0.228 3.222 1.00 0.00 C ATOM 865 C PHE A 58 6.128 -0.399 3.636 1.00 0.00 C ATOM 866 O PHE A 58 5.602 -1.264 2.938 1.00 0.00 O ATOM 867 CB PHE A 58 7.261 1.012 1.923 1.00 0.00 C ATOM 868 CG PHE A 58 6.021 0.595 1.129 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.780 0.821 1.638 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.160 -0.002 -0.085 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.630 0.434 0.902 1.00 0.00 C ATOM 872 CE2 PHE A 58 5.009 -0.389 -0.821 1.00 0.00 C ATOM 873 CZ PHE A 58 3.768 -0.163 -0.312 1.00 0.00 C ATOM 0 H PHE A 58 8.092 -1.747 2.923 1.00 0.00 H new ATOM 0 HA PHE A 58 7.798 0.869 4.037 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.189 2.074 2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.142 0.884 1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.670 1.295 2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.145 -0.182 -0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.645 0.614 1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.119 -0.863 -1.785 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.893 -0.458 -0.872 1.00 0.00 H new ATOM 883 N ASP A 59 5.621 0.062 4.770 1.00 0.00 N ATOM 884 CA ASP A 59 4.360 -0.443 5.285 1.00 0.00 C ATOM 885 C ASP A 59 3.270 0.610 5.074 1.00 0.00 C ATOM 886 O ASP A 59 3.546 1.808 5.100 1.00 0.00 O ATOM 887 CB ASP A 59 4.454 -0.732 6.785 1.00 0.00 C ATOM 888 CG ASP A 59 5.188 0.332 7.604 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.357 0.608 7.257 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.564 0.845 8.557 1.00 0.00 O ATOM 0 H ASP A 59 6.061 0.780 5.346 1.00 0.00 H new ATOM 0 HA ASP A 59 4.124 -1.365 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.445 -0.843 7.182 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.958 -1.688 6.925 1.00 0.00 H new ATOM 895 N LEU A 60 2.055 0.124 4.869 1.00 0.00 N ATOM 896 CA LEU A 60 0.922 1.008 4.653 1.00 0.00 C ATOM 897 C LEU A 60 -0.330 0.386 5.275 1.00 0.00 C ATOM 898 O LEU A 60 -0.797 -0.660 4.827 1.00 0.00 O ATOM 899 CB LEU A 60 0.772 1.334 3.166 1.00 0.00 C ATOM 900 CG LEU A 60 -0.227 2.439 2.819 1.00 0.00 C ATOM 901 CD1 LEU A 60 -0.965 2.122 1.517 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.192 2.690 3.979 1.00 0.00 C ATOM 0 H LEU A 60 1.830 -0.871 4.848 1.00 0.00 H new ATOM 0 HA LEU A 60 1.085 1.964 5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.749 1.620 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.474 0.425 2.643 1.00 0.00 H new ATOM 0 HG LEU A 60 0.328 3.363 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.669 2.923 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.245 2.034 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.507 1.183 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.891 3.480 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.744 1.776 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.629 2.993 4.862 1.00 0.00 H new ATOM 914 N LEU A 61 -0.838 1.056 6.299 1.00 0.00 N ATOM 915 CA LEU A 61 -2.027 0.583 6.987 1.00 0.00 C ATOM 916 C LEU A 61 -3.206 1.498 6.650 1.00 0.00 C ATOM 917 O LEU A 61 -3.019 2.686 6.390 1.00 0.00 O ATOM 918 CB LEU A 61 -1.761 0.452 8.488 1.00 0.00 C ATOM 919 CG LEU A 61 -2.998 0.343 9.382 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.800 1.646 9.369 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.855 -0.862 8.988 1.00 0.00 C ATOM 0 H LEU A 61 -0.448 1.923 6.669 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.292 -0.417 6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.141 -0.429 8.651 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.179 1.316 8.810 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.666 0.180 10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.674 1.542 10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.176 2.461 9.734 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.123 1.864 8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.728 -0.916 9.639 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.180 -0.754 7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.268 -1.775 9.091 1.00 0.00 H new ATOM 933 N VAL A 62 -4.393 0.911 6.665 1.00 0.00 N ATOM 934 CA VAL A 62 -5.602 1.660 6.363 1.00 0.00 C ATOM 935 C VAL A 62 -6.755 1.122 7.213 1.00 0.00 C ATOM 936 O VAL A 62 -7.273 0.039 6.948 1.00 0.00 O ATOM 937 CB VAL A 62 -5.890 1.605 4.862 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.168 2.374 4.521 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.701 2.132 4.055 1.00 0.00 C ATOM 0 H VAL A 62 -4.544 -0.074 6.881 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.473 2.712 6.617 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.044 0.561 4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.350 2.319 3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.011 1.934 5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.055 3.417 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.932 2.082 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.501 3.167 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.821 1.524 4.264 1.00 0.00 H new ATOM 949 N LYS A 63 -7.122 1.904 8.218 1.00 0.00 N ATOM 950 CA LYS A 63 -8.204 1.520 9.109 1.00 0.00 C ATOM 951 C LYS A 63 -9.472 2.283 8.722 1.00 0.00 C ATOM 952 O LYS A 63 -9.408 3.274 7.997 1.00 0.00 O ATOM 953 CB LYS A 63 -7.790 1.715 10.569 1.00 0.00 C ATOM 954 CG LYS A 63 -7.573 0.368 11.262 1.00 0.00 C ATOM 955 CD LYS A 63 -6.282 0.376 12.082 1.00 0.00 C ATOM 956 CE LYS A 63 -5.682 -1.029 12.173 1.00 0.00 C ATOM 957 NZ LYS A 63 -5.901 -1.599 13.521 1.00 0.00 N ATOM 0 H LYS A 63 -6.689 2.802 8.435 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.426 0.458 9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.874 2.304 10.615 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.559 2.280 11.096 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.420 0.149 11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.530 -0.426 10.516 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.561 1.054 11.626 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.486 0.754 13.084 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.136 -1.674 11.421 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.614 -0.990 11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.488 -2.552 13.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.448 -0.991 14.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.922 -1.655 13.713 1.00 0.00 H new ATOM 971 N ASN A 64 -10.596 1.791 9.222 1.00 0.00 N ATOM 972 CA ASN A 64 -11.877 2.414 8.938 1.00 0.00 C ATOM 973 C ASN A 64 -11.913 2.850 7.472 1.00 0.00 C ATOM 974 O ASN A 64 -11.530 3.973 7.145 1.00 0.00 O ATOM 975 CB ASN A 64 -12.091 3.655 9.806 1.00 0.00 C ATOM 976 CG ASN A 64 -13.551 3.769 10.250 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.371 2.899 10.006 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.829 4.888 10.913 1.00 0.00 N ATOM 0 H ASN A 64 -10.646 0.968 9.822 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.660 1.686 9.151 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.444 3.607 10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.806 4.547 9.248 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.776 5.059 11.251 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.095 5.576 11.083 1.00 0.00 H new ATOM 985 N LEU A 65 -12.377 1.941 6.628 1.00 0.00 N ATOM 986 CA LEU A 65 -12.468 2.217 5.204 1.00 0.00 C ATOM 987 C LEU A 65 -13.921 2.063 4.751 1.00 0.00 C ATOM 988 O LEU A 65 -14.812 2.731 5.273 1.00 0.00 O ATOM 989 CB LEU A 65 -11.485 1.343 4.424 1.00 0.00 C ATOM 990 CG LEU A 65 -11.257 1.730 2.962 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.805 3.129 2.673 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.779 1.604 2.585 1.00 0.00 C ATOM 0 H LEU A 65 -12.694 1.011 6.903 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.176 3.247 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.524 1.363 4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.841 0.313 4.455 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.810 1.032 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.630 3.379 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.876 3.150 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.300 3.856 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.645 1.885 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.185 2.263 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.454 0.574 2.728 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.115 1.179 3.784 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.445 0.929 3.254 1.00 0.00 C ATOM 1006 C ASN A 66 -16.102 -0.201 4.050 1.00 0.00 C ATOM 1007 O ASN A 66 -16.174 -1.336 3.581 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.382 0.498 1.787 1.00 0.00 C ATOM 1009 CG ASN A 66 -15.910 1.602 0.869 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -16.881 1.435 0.150 1.00 0.00 O ATOM 1011 ND2 ASN A 66 -15.219 2.737 0.933 1.00 0.00 N ATOM 0 H ASN A 66 -13.374 0.627 3.353 1.00 0.00 H new ATOM 0 HA ASN A 66 -16.019 1.852 3.334 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.353 0.258 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.969 -0.410 1.645 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -15.493 3.534 0.358 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -14.415 2.810 1.557 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.565 0.149 5.241 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.213 -0.821 6.107 1.00 0.00 C ATOM 1020 C GLY A 67 -16.222 -1.889 6.573 1.00 0.00 C ATOM 1021 O GLY A 67 -16.624 -2.966 7.010 1.00 0.00 O ATOM 0 H GLY A 67 -16.504 1.091 5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.639 -0.313 6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.039 -1.294 5.575 1.00 0.00 H new ATOM 1025 N LYS A 68 -14.945 -1.553 6.464 1.00 0.00 N ATOM 1026 CA LYS A 68 -13.893 -2.470 6.869 1.00 0.00 C ATOM 1027 C LYS A 68 -12.553 -1.732 6.874 1.00 0.00 C ATOM 1028 O LYS A 68 -12.514 -0.509 6.748 1.00 0.00 O ATOM 1029 CB LYS A 68 -13.903 -3.720 5.986 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.473 -3.409 4.601 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.712 -4.167 3.511 1.00 0.00 C ATOM 1032 CE LYS A 68 -13.817 -5.678 3.720 1.00 0.00 C ATOM 1033 NZ LYS A 68 -15.128 -6.177 3.247 1.00 0.00 N ATOM 0 H LYS A 68 -14.615 -0.659 6.101 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.066 -2.824 7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.889 -4.108 5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.498 -4.500 6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.528 -3.681 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.414 -2.337 4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.112 -3.903 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.664 -3.867 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.014 -6.182 3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.691 -5.915 4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.183 -7.205 3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.890 -5.709 3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.234 -5.968 2.234 1.00 0.00 H new ATOM 1047 N SER A 69 -11.488 -2.506 7.023 1.00 0.00 N ATOM 1048 CA SER A 69 -10.150 -1.940 7.047 1.00 0.00 C ATOM 1049 C SER A 69 -9.224 -2.748 6.135 1.00 0.00 C ATOM 1050 O SER A 69 -9.441 -3.940 5.923 1.00 0.00 O ATOM 1051 CB SER A 69 -9.592 -1.904 8.471 1.00 0.00 C ATOM 1052 OG SER A 69 -9.672 -3.177 9.108 1.00 0.00 O ATOM 0 H SER A 69 -11.524 -3.520 7.128 1.00 0.00 H new ATOM 0 HA SER A 69 -10.206 -0.915 6.682 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.553 -1.576 8.445 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.143 -1.169 9.058 1.00 0.00 H new ATOM 0 HG SER A 69 -9.379 -3.096 10.040 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.211 -2.066 5.620 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.251 -2.706 4.736 1.00 0.00 C ATOM 1060 C TYR A 70 -5.817 -2.428 5.191 1.00 0.00 C ATOM 1061 O TYR A 70 -5.534 -1.370 5.752 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.467 -2.080 3.357 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.852 -2.344 2.763 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -9.975 -1.826 3.374 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -8.978 -3.102 1.616 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.279 -2.075 2.815 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.281 -3.351 1.057 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.367 -2.825 1.684 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.599 -3.060 1.156 1.00 0.00 O ATOM 0 H TYR A 70 -8.034 -1.077 5.798 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.393 -3.787 4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.314 -1.003 3.430 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.710 -2.464 2.673 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.877 -1.234 4.272 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.099 -3.508 1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.166 -1.675 3.283 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.393 -3.942 0.160 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.704 -4.019 0.984 1.00 0.00 H new ATOM 1079 N SER A 71 -4.950 -3.395 4.931 1.00 0.00 N ATOM 1080 CA SER A 71 -3.552 -3.268 5.306 1.00 0.00 C ATOM 1081 C SER A 71 -2.657 -3.713 4.148 1.00 0.00 C ATOM 1082 O SER A 71 -2.956 -4.693 3.469 1.00 0.00 O ATOM 1083 CB SER A 71 -3.242 -4.086 6.562 1.00 0.00 C ATOM 1084 OG SER A 71 -3.679 -5.436 6.440 1.00 0.00 O ATOM 0 H SER A 71 -5.189 -4.270 4.465 1.00 0.00 H new ATOM 0 HA SER A 71 -3.352 -2.220 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.169 -4.068 6.751 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.725 -3.625 7.424 1.00 0.00 H new ATOM 0 HG SER A 71 -4.624 -5.452 6.179 1.00 0.00 H new ATOM 1090 N MET A 72 -1.575 -2.971 3.959 1.00 0.00 N ATOM 1091 CA MET A 72 -0.634 -3.277 2.895 1.00 0.00 C ATOM 1092 C MET A 72 0.800 -2.966 3.326 1.00 0.00 C ATOM 1093 O MET A 72 1.120 -1.826 3.659 1.00 0.00 O ATOM 1094 CB MET A 72 -0.983 -2.455 1.653 1.00 0.00 C ATOM 1095 CG MET A 72 0.182 -2.438 0.662 1.00 0.00 C ATOM 1096 SD MET A 72 -0.409 -2.016 -0.969 1.00 0.00 S ATOM 1097 CE MET A 72 0.176 -3.431 -1.886 1.00 0.00 C ATOM 0 H MET A 72 -1.329 -2.159 4.525 1.00 0.00 H new ATOM 0 HA MET A 72 -0.703 -4.341 2.669 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.868 -2.873 1.173 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.231 -1.435 1.946 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.933 -1.716 0.983 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.666 -3.414 0.641 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.536 -3.108 -2.863 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.989 -3.908 -1.339 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.640 -4.142 -2.017 1.00 0.00 H new ATOM 1107 N ILE A 73 1.627 -4.001 3.306 1.00 0.00 N ATOM 1108 CA ILE A 73 3.021 -3.854 3.691 1.00 0.00 C ATOM 1109 C ILE A 73 3.905 -4.588 2.681 1.00 0.00 C ATOM 1110 O ILE A 73 3.520 -5.632 2.158 1.00 0.00 O ATOM 1111 CB ILE A 73 3.229 -4.310 5.136 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.555 -3.349 6.118 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.716 -4.494 5.444 1.00 0.00 C ATOM 1114 CD1 ILE A 73 3.102 -3.538 7.534 1.00 0.00 C ATOM 0 H ILE A 73 1.359 -4.945 3.029 1.00 0.00 H new ATOM 0 HA ILE A 73 3.314 -2.804 3.667 1.00 0.00 H new ATOM 0 HB ILE A 73 2.752 -5.282 5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.718 -2.321 5.796 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.478 -3.517 6.115 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.836 -4.818 6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.135 -5.247 4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.238 -3.548 5.298 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.606 -2.843 8.211 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.915 -4.560 7.863 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.175 -3.346 7.538 1.00 0.00 H new ATOM 1126 N VAL A 74 5.073 -4.012 2.437 1.00 0.00 N ATOM 1127 CA VAL A 74 6.015 -4.598 1.499 1.00 0.00 C ATOM 1128 C VAL A 74 7.382 -4.732 2.172 1.00 0.00 C ATOM 1129 O VAL A 74 7.944 -3.746 2.646 1.00 0.00 O ATOM 1130 CB VAL A 74 6.060 -3.768 0.214 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.730 -3.048 -0.020 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.223 -2.775 0.244 1.00 0.00 C ATOM 0 H VAL A 74 5.388 -3.145 2.873 1.00 0.00 H new ATOM 0 HA VAL A 74 5.694 -5.599 1.212 1.00 0.00 H new ATOM 0 HB VAL A 74 6.223 -4.450 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.789 -2.465 -0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.929 -3.782 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.524 -2.383 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.232 -2.198 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.104 -2.100 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.163 -3.318 0.342 1.00 0.00 H new ATOM 1142 N ASN A 75 7.878 -5.961 2.192 1.00 0.00 N ATOM 1143 CA ASN A 75 9.169 -6.237 2.799 1.00 0.00 C ATOM 1144 C ASN A 75 10.107 -6.831 1.746 1.00 0.00 C ATOM 1145 O ASN A 75 9.748 -7.786 1.059 1.00 0.00 O ATOM 1146 CB ASN A 75 9.037 -7.248 3.939 1.00 0.00 C ATOM 1147 CG ASN A 75 8.039 -6.761 4.992 1.00 0.00 C ATOM 1148 OD1 ASN A 75 8.373 -6.035 5.913 1.00 0.00 O ATOM 1149 ND2 ASN A 75 6.797 -7.199 4.803 1.00 0.00 N ATOM 0 H ASN A 75 7.409 -6.776 1.798 1.00 0.00 H new ATOM 0 HA ASN A 75 9.564 -5.300 3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.711 -8.209 3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.011 -7.408 4.402 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.057 -6.929 5.451 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.585 -7.805 4.010 1.00 0.00 H new ATOM 1156 N ASN A 76 11.289 -6.241 1.653 1.00 0.00 N ATOM 1157 CA ASN A 76 12.281 -6.700 0.695 1.00 0.00 C ATOM 1158 C ASN A 76 12.011 -6.050 -0.663 1.00 0.00 C ATOM 1159 O ASN A 76 11.318 -6.622 -1.503 1.00 0.00 O ATOM 1160 CB ASN A 76 12.211 -8.218 0.515 1.00 0.00 C ATOM 1161 CG ASN A 76 11.971 -8.919 1.854 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.473 -8.520 2.891 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.178 -9.983 1.772 1.00 0.00 N ATOM 0 H ASN A 76 11.583 -5.449 2.225 1.00 0.00 H new ATOM 0 HA ASN A 76 13.266 -6.426 1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.409 -8.469 -0.180 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.140 -8.579 0.073 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.957 -10.520 2.611 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.791 -10.262 0.871 1.00 0.00 H new ATOM 1170 N LEU A 77 12.574 -4.863 -0.837 1.00 0.00 N ATOM 1171 CA LEU A 77 12.403 -4.129 -2.080 1.00 0.00 C ATOM 1172 C LEU A 77 13.621 -4.361 -2.976 1.00 0.00 C ATOM 1173 O LEU A 77 14.759 -4.257 -2.522 1.00 0.00 O ATOM 1174 CB LEU A 77 12.122 -2.652 -1.795 1.00 0.00 C ATOM 1175 CG LEU A 77 10.850 -2.353 -0.998 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.847 -0.909 -0.493 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.600 -2.675 -1.820 1.00 0.00 C ATOM 0 H LEU A 77 13.149 -4.391 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 77 11.533 -4.497 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.972 -2.239 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.064 -2.123 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 77 10.835 -3.001 -0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.933 -0.722 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.710 -0.748 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.896 -0.227 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.710 -2.454 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.595 -2.070 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.604 -3.731 -2.089 1.00 0.00 H new ATOM 1189 N LEU A 78 13.339 -4.673 -4.233 1.00 0.00 N ATOM 1190 CA LEU A 78 14.398 -4.921 -5.197 1.00 0.00 C ATOM 1191 C LEU A 78 15.532 -3.918 -4.973 1.00 0.00 C ATOM 1192 O LEU A 78 16.697 -4.302 -4.892 1.00 0.00 O ATOM 1193 CB LEU A 78 13.839 -4.908 -6.621 1.00 0.00 C ATOM 1194 CG LEU A 78 14.548 -5.816 -7.628 1.00 0.00 C ATOM 1195 CD1 LEU A 78 14.347 -7.291 -7.274 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.100 -5.504 -9.058 1.00 0.00 C ATOM 0 H LEU A 78 12.393 -4.760 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 78 14.819 -5.916 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.788 -5.195 -6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.876 -3.885 -6.995 1.00 0.00 H new ATOM 0 HG LEU A 78 15.618 -5.615 -7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.861 -7.914 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.754 -7.486 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.283 -7.525 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.619 -6.163 -9.754 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.025 -5.659 -9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.337 -4.467 -9.295 1.00 0.00 H new ATOM 1208 N LYS A 79 15.150 -2.653 -4.879 1.00 0.00 N ATOM 1209 CA LYS A 79 16.120 -1.593 -4.665 1.00 0.00 C ATOM 1210 C LYS A 79 15.744 -0.809 -3.407 1.00 0.00 C ATOM 1211 O LYS A 79 14.594 -0.841 -2.972 1.00 0.00 O ATOM 1212 CB LYS A 79 16.247 -0.722 -5.917 1.00 0.00 C ATOM 1213 CG LYS A 79 16.420 -1.585 -7.169 1.00 0.00 C ATOM 1214 CD LYS A 79 17.875 -1.577 -7.643 1.00 0.00 C ATOM 1215 CE LYS A 79 18.121 -2.680 -8.675 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.546 -3.078 -8.678 1.00 0.00 N ATOM 0 H LYS A 79 14.182 -2.338 -4.947 1.00 0.00 H new ATOM 0 HA LYS A 79 17.111 -2.013 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.360 -0.097 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.099 -0.051 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.109 -2.608 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.773 -1.214 -7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.114 -0.607 -8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.540 -1.717 -6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.496 -3.544 -8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.833 -2.330 -9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.696 -3.827 -9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.136 -2.255 -8.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.810 -3.432 -7.736 1.00 0.00 H new ATOM 1230 N PRO A 80 16.761 -0.105 -2.842 1.00 0.00 N ATOM 1231 CA PRO A 80 16.548 0.687 -1.642 1.00 0.00 C ATOM 1232 C PRO A 80 15.788 1.975 -1.963 1.00 0.00 C ATOM 1233 O PRO A 80 15.646 2.343 -3.128 1.00 0.00 O ATOM 1234 CB PRO A 80 17.940 0.940 -1.087 1.00 0.00 C ATOM 1235 CG PRO A 80 18.901 0.684 -2.236 1.00 0.00 C ATOM 1236 CD PRO A 80 18.136 -0.043 -3.330 1.00 0.00 C ATOM 0 HA PRO A 80 15.927 0.178 -0.906 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.034 1.962 -0.720 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.151 0.279 -0.247 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.305 1.624 -2.613 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.747 0.085 -1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.196 0.492 -4.278 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.541 -1.040 -3.501 1.00 0.00 H new ATOM 1244 N ILE A 81 15.320 2.626 -0.908 1.00 0.00 N ATOM 1245 CA ILE A 81 14.578 3.866 -1.062 1.00 0.00 C ATOM 1246 C ILE A 81 14.796 4.742 0.173 1.00 0.00 C ATOM 1247 O ILE A 81 14.844 4.240 1.294 1.00 0.00 O ATOM 1248 CB ILE A 81 13.106 3.576 -1.359 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.512 2.630 -0.313 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.928 3.042 -2.781 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.572 3.380 0.634 1.00 0.00 C ATOM 0 H ILE A 81 15.440 2.318 0.057 1.00 0.00 H new ATOM 0 HA ILE A 81 14.947 4.427 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 81 12.554 4.514 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.968 1.827 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.315 2.164 0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.872 2.844 -2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.289 3.782 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.496 2.119 -2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.164 2.685 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.125 4.166 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.757 3.824 0.062 1.00 0.00 H new ATOM 1263 N SER A 82 14.920 6.038 -0.075 1.00 0.00 N ATOM 1264 CA SER A 82 15.131 6.989 1.003 1.00 0.00 C ATOM 1265 C SER A 82 13.851 7.138 1.828 1.00 0.00 C ATOM 1266 O SER A 82 12.751 7.129 1.279 1.00 0.00 O ATOM 1267 CB SER A 82 15.574 8.349 0.459 1.00 0.00 C ATOM 1268 OG SER A 82 14.718 9.402 0.895 1.00 0.00 O ATOM 0 H SER A 82 14.878 6.451 -1.007 1.00 0.00 H new ATOM 0 HA SER A 82 15.926 6.608 1.644 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.595 8.554 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.585 8.318 -0.631 1.00 0.00 H new ATOM 0 HG SER A 82 15.260 10.162 1.192 1.00 0.00 H new ATOM 1274 N VAL A 83 14.038 7.272 3.133 1.00 0.00 N ATOM 1275 CA VAL A 83 12.912 7.423 4.038 1.00 0.00 C ATOM 1276 C VAL A 83 12.545 8.904 4.146 1.00 0.00 C ATOM 1277 O VAL A 83 11.488 9.321 3.676 1.00 0.00 O ATOM 1278 CB VAL A 83 13.240 6.787 5.391 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.227 7.213 6.456 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.309 5.263 5.278 1.00 0.00 C ATOM 0 H VAL A 83 14.952 7.279 3.585 1.00 0.00 H new ATOM 0 HA VAL A 83 12.038 6.900 3.651 1.00 0.00 H new ATOM 0 HB VAL A 83 14.222 7.144 5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.482 6.748 7.408 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.248 8.297 6.565 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.228 6.898 6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.543 4.836 6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.348 4.880 4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.085 4.986 4.565 1.00 0.00 H new ATOM 1290 N GLU A 84 13.438 9.658 4.770 1.00 0.00 N ATOM 1291 CA GLU A 84 13.222 11.084 4.946 1.00 0.00 C ATOM 1292 C GLU A 84 12.817 11.727 3.618 1.00 0.00 C ATOM 1293 O GLU A 84 12.184 12.782 3.603 1.00 0.00 O ATOM 1294 CB GLU A 84 14.466 11.760 5.526 1.00 0.00 C ATOM 1295 CG GLU A 84 14.497 11.635 7.050 1.00 0.00 C ATOM 1296 CD GLU A 84 15.397 12.707 7.670 1.00 0.00 C ATOM 1297 OE1 GLU A 84 14.883 13.827 7.881 1.00 0.00 O ATOM 1298 OE2 GLU A 84 16.578 12.382 7.918 1.00 0.00 O ATOM 0 H GLU A 84 14.313 9.308 5.160 1.00 0.00 H new ATOM 0 HA GLU A 84 12.408 11.223 5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.362 11.306 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.477 12.813 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.486 11.730 7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.858 10.645 7.330 1.00 0.00 H new ATOM 1305 N GLY A 85 13.197 11.065 2.536 1.00 0.00 N ATOM 1306 CA GLY A 85 12.882 11.559 1.206 1.00 0.00 C ATOM 1307 C GLY A 85 11.560 10.974 0.703 1.00 0.00 C ATOM 1308 O GLY A 85 10.854 11.609 -0.079 1.00 0.00 O ATOM 0 H GLY A 85 13.721 10.190 2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.819 12.647 1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.685 11.297 0.517 1.00 0.00 H new ATOM 1312 N SER A 86 11.265 9.771 1.173 1.00 0.00 N ATOM 1313 CA SER A 86 10.041 9.094 0.781 1.00 0.00 C ATOM 1314 C SER A 86 8.826 9.896 1.251 1.00 0.00 C ATOM 1315 O SER A 86 8.943 10.751 2.128 1.00 0.00 O ATOM 1316 CB SER A 86 9.991 7.674 1.349 1.00 0.00 C ATOM 1317 OG SER A 86 10.543 6.719 0.446 1.00 0.00 O ATOM 0 H SER A 86 11.853 9.248 1.822 1.00 0.00 H new ATOM 0 HA SER A 86 10.023 9.023 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.538 7.641 2.291 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.957 7.408 1.571 1.00 0.00 H new ATOM 0 HG SER A 86 11.521 6.764 0.480 1.00 0.00 H new ATOM 1323 N SER A 87 7.686 9.592 0.647 1.00 0.00 N ATOM 1324 CA SER A 87 6.451 10.274 0.993 1.00 0.00 C ATOM 1325 C SER A 87 5.251 9.391 0.646 1.00 0.00 C ATOM 1326 O SER A 87 5.367 8.468 -0.159 1.00 0.00 O ATOM 1327 CB SER A 87 6.345 11.620 0.273 1.00 0.00 C ATOM 1328 OG SER A 87 7.615 12.249 0.127 1.00 0.00 O ATOM 0 H SER A 87 7.592 8.882 -0.080 1.00 0.00 H new ATOM 0 HA SER A 87 6.455 10.466 2.066 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.899 11.471 -0.710 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.677 12.277 0.830 1.00 0.00 H new ATOM 0 HG SER A 87 7.505 13.104 -0.338 1.00 0.00 H new ATOM 1334 N LYS A 88 4.125 9.705 1.271 1.00 0.00 N ATOM 1335 CA LYS A 88 2.905 8.951 1.039 1.00 0.00 C ATOM 1336 C LYS A 88 1.811 9.899 0.544 1.00 0.00 C ATOM 1337 O LYS A 88 1.704 11.029 1.019 1.00 0.00 O ATOM 1338 CB LYS A 88 2.516 8.162 2.290 1.00 0.00 C ATOM 1339 CG LYS A 88 1.475 8.922 3.115 1.00 0.00 C ATOM 1340 CD LYS A 88 0.094 8.845 2.460 1.00 0.00 C ATOM 1341 CE LYS A 88 -0.878 8.037 3.322 1.00 0.00 C ATOM 1342 NZ LYS A 88 -1.953 8.908 3.847 1.00 0.00 N ATOM 0 H LYS A 88 4.032 10.471 1.938 1.00 0.00 H new ATOM 0 HA LYS A 88 3.060 8.207 0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.117 7.189 2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.402 7.976 2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.428 8.505 4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.776 9.965 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.298 9.851 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.180 8.386 1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.312 7.230 2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.341 7.574 4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.045 8.766 4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.719 9.903 3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.852 8.668 3.382 1.00 0.00 H new ATOM 1356 N LYS A 89 1.027 9.405 -0.402 1.00 0.00 N ATOM 1357 CA LYS A 89 -0.055 10.195 -0.966 1.00 0.00 C ATOM 1358 C LYS A 89 -1.285 9.305 -1.155 1.00 0.00 C ATOM 1359 O LYS A 89 -1.171 8.080 -1.186 1.00 0.00 O ATOM 1360 CB LYS A 89 0.403 10.892 -2.249 1.00 0.00 C ATOM 1361 CG LYS A 89 1.026 12.255 -1.940 1.00 0.00 C ATOM 1362 CD LYS A 89 0.482 13.332 -2.881 1.00 0.00 C ATOM 1363 CE LYS A 89 0.907 13.063 -4.326 1.00 0.00 C ATOM 1364 NZ LYS A 89 0.022 13.782 -5.269 1.00 0.00 N ATOM 0 H LYS A 89 1.119 8.467 -0.793 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.341 10.994 -0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.129 10.266 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.446 11.020 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.815 12.530 -0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.110 12.194 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.606 13.360 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.845 14.311 -2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.939 13.381 -4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.871 11.993 -4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.324 13.588 -6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.958 13.459 -5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.077 14.804 -5.086 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.433 9.955 -1.275 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.683 9.238 -1.460 1.00 0.00 C ATOM 1380 C VAL A 90 -4.491 9.908 -2.574 1.00 0.00 C ATOM 1381 O VAL A 90 -4.711 11.118 -2.544 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.443 9.161 -0.134 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.817 8.515 -0.327 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.629 8.412 0.922 1.00 0.00 C ATOM 0 H VAL A 90 -2.524 10.971 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.492 8.211 -1.770 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.598 10.179 0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.337 8.472 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.402 9.107 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.693 7.505 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.192 8.372 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.428 7.398 0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.686 8.931 1.090 1.00 0.00 H new ATOM 1394 N LYS A 91 -4.909 9.092 -3.530 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.687 9.591 -4.652 1.00 0.00 C ATOM 1396 C LYS A 91 -7.136 9.120 -4.511 1.00 0.00 C ATOM 1397 O LYS A 91 -7.466 8.385 -3.581 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.036 9.189 -5.977 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.048 8.038 -5.775 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.472 7.569 -7.113 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.650 8.677 -7.774 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.124 8.921 -9.154 1.00 0.00 N ATOM 0 H LYS A 91 -4.724 8.089 -3.551 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.703 10.681 -4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.806 8.892 -6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.518 10.046 -6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.239 8.359 -5.119 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.549 7.207 -5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.846 6.691 -6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.283 7.267 -7.776 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.728 9.594 -7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.597 8.397 -7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.555 9.676 -9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.027 8.050 -9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.123 9.209 -9.132 1.00 0.00 H new ATOM 1416 N THR A 92 -7.962 9.563 -5.448 1.00 0.00 N ATOM 1417 CA THR A 92 -9.368 9.196 -5.440 1.00 0.00 C ATOM 1418 C THR A 92 -9.523 7.676 -5.523 1.00 0.00 C ATOM 1419 O THR A 92 -9.106 7.059 -6.502 1.00 0.00 O ATOM 1420 CB THR A 92 -10.058 9.941 -6.584 1.00 0.00 C ATOM 1421 OG1 THR A 92 -9.960 11.313 -6.214 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.563 9.674 -6.634 1.00 0.00 C ATOM 0 H THR A 92 -7.684 10.172 -6.217 1.00 0.00 H new ATOM 0 HA THR A 92 -9.848 9.489 -4.506 1.00 0.00 H new ATOM 0 HB THR A 92 -9.607 9.648 -7.532 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.382 11.868 -6.903 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.003 10.227 -7.464 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.739 8.607 -6.774 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.021 9.997 -5.699 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.124 7.117 -4.483 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.339 5.681 -4.426 1.00 0.00 C ATOM 1432 C ASP A 93 -9.032 4.960 -4.760 1.00 0.00 C ATOM 1433 O ASP A 93 -9.047 3.880 -5.349 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.394 5.241 -5.443 1.00 0.00 C ATOM 1435 CG ASP A 93 -12.843 5.492 -5.021 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -13.030 5.931 -3.866 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -13.732 5.238 -5.863 1.00 0.00 O ATOM 0 H ASP A 93 -10.469 7.632 -3.673 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.680 5.431 -3.421 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.210 5.761 -6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.267 4.176 -5.638 1.00 0.00 H new ATOM 1442 N THR A 94 -7.931 5.586 -4.368 1.00 0.00 N ATOM 1443 CA THR A 94 -6.618 5.017 -4.618 1.00 0.00 C ATOM 1444 C THR A 94 -5.594 5.589 -3.636 1.00 0.00 C ATOM 1445 O THR A 94 -5.649 6.769 -3.293 1.00 0.00 O ATOM 1446 CB THR A 94 -6.263 5.273 -6.084 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.173 4.451 -6.810 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.885 4.724 -6.458 1.00 0.00 C ATOM 0 H THR A 94 -7.922 6.481 -3.879 1.00 0.00 H new ATOM 0 HA THR A 94 -6.615 3.940 -4.452 1.00 0.00 H new ATOM 0 HB THR A 94 -6.292 6.344 -6.282 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.559 3.780 -6.209 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.683 4.933 -7.509 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.124 5.201 -5.841 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.865 3.647 -6.292 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.682 4.726 -3.211 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.647 5.130 -2.276 1.00 0.00 C ATOM 1458 C VAL A 95 -2.297 5.153 -2.995 1.00 0.00 C ATOM 1459 O VAL A 95 -1.924 4.184 -3.654 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.658 4.210 -1.053 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.500 2.746 -1.468 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.575 4.617 -0.052 1.00 0.00 C ATOM 0 H VAL A 95 -4.639 3.748 -3.498 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.837 6.139 -1.909 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.625 4.316 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.511 2.113 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.322 2.463 -2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.554 2.617 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.604 3.948 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.597 4.553 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.752 5.640 0.279 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.601 6.271 -2.843 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.300 6.432 -3.470 1.00 0.00 C ATOM 1474 C LEU A 96 0.796 6.189 -2.430 1.00 0.00 C ATOM 1475 O LEU A 96 0.615 6.487 -1.250 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.203 7.795 -4.159 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.349 7.789 -5.682 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.135 9.109 -6.284 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.365 6.583 -6.296 1.00 0.00 C ATOM 0 H LEU A 96 -1.913 7.073 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.162 5.692 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.972 8.446 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.760 8.239 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.408 7.694 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.020 9.078 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.455 9.931 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.185 9.259 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.246 6.602 -7.379 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.425 6.622 -6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.067 5.664 -5.900 1.00 0.00 H new ATOM 1491 N ILE A 97 1.910 5.651 -2.905 1.00 0.00 N ATOM 1492 CA ILE A 97 3.035 5.365 -2.031 1.00 0.00 C ATOM 1493 C ILE A 97 4.332 5.789 -2.722 1.00 0.00 C ATOM 1494 O ILE A 97 4.944 5.000 -3.440 1.00 0.00 O ATOM 1495 CB ILE A 97 3.019 3.897 -1.601 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.630 3.485 -1.108 1.00 0.00 C ATOM 1497 CG2 ILE A 97 4.103 3.619 -0.558 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.311 4.137 0.239 1.00 0.00 C ATOM 0 H ILE A 97 2.057 5.406 -3.884 1.00 0.00 H new ATOM 0 HA ILE A 97 2.960 5.944 -1.110 1.00 0.00 H new ATOM 0 HB ILE A 97 3.246 3.284 -2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.879 3.774 -1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.581 2.400 -1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.070 2.568 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.081 3.849 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.931 4.242 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.319 3.828 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.050 3.827 0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.337 5.222 0.133 1.00 0.00 H new ATOM 1510 N LEU A 98 4.714 7.035 -2.480 1.00 0.00 N ATOM 1511 CA LEU A 98 5.927 7.574 -3.070 1.00 0.00 C ATOM 1512 C LEU A 98 7.141 7.035 -2.310 1.00 0.00 C ATOM 1513 O LEU A 98 7.273 7.256 -1.107 1.00 0.00 O ATOM 1514 CB LEU A 98 5.864 9.101 -3.124 1.00 0.00 C ATOM 1515 CG LEU A 98 4.746 9.696 -3.982 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.222 10.998 -3.372 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.205 9.885 -5.429 1.00 0.00 C ATOM 0 H LEU A 98 4.204 7.686 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 98 6.026 7.246 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.753 9.476 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.818 9.471 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 98 3.916 8.990 -3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.428 11.401 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.830 10.800 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.035 11.722 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.391 10.309 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.061 10.560 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.491 8.921 -5.849 1.00 0.00 H new ATOM 1529 N CYS A 99 7.997 6.338 -3.044 1.00 0.00 N ATOM 1530 CA CYS A 99 9.195 5.766 -2.454 1.00 0.00 C ATOM 1531 C CYS A 99 10.412 6.356 -3.170 1.00 0.00 C ATOM 1532 O CYS A 99 10.621 6.104 -4.356 1.00 0.00 O ATOM 1533 CB CYS A 99 9.182 4.237 -2.516 1.00 0.00 C ATOM 1534 SG CYS A 99 8.127 3.565 -1.181 1.00 0.00 S ATOM 0 H CYS A 99 7.884 6.157 -4.041 1.00 0.00 H new ATOM 0 HA CYS A 99 9.239 6.021 -1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.809 3.907 -3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.197 3.852 -2.417 1.00 0.00 H new ATOM 0 HG CYS A 99 8.121 2.267 -1.244 1.00 0.00 H new ATOM 1540 N ARG A 100 11.182 7.130 -2.420 1.00 0.00 N ATOM 1541 CA ARG A 100 12.372 7.757 -2.968 1.00 0.00 C ATOM 1542 C ARG A 100 13.332 6.695 -3.507 1.00 0.00 C ATOM 1543 O ARG A 100 13.388 5.582 -2.987 1.00 0.00 O ATOM 1544 CB ARG A 100 13.092 8.594 -1.908 1.00 0.00 C ATOM 1545 CG ARG A 100 12.632 10.053 -1.956 1.00 0.00 C ATOM 1546 CD ARG A 100 12.692 10.599 -3.384 1.00 0.00 C ATOM 1547 NE ARG A 100 11.345 10.564 -3.997 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.333 11.362 -3.631 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.508 12.262 -2.655 1.00 0.00 N ATOM 1550 NH2 ARG A 100 9.145 11.259 -4.243 1.00 0.00 N ATOM 0 H ARG A 100 11.005 7.337 -1.437 1.00 0.00 H new ATOM 0 HA ARG A 100 12.057 8.412 -3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.897 8.180 -0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.169 8.543 -2.069 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.613 10.130 -1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.262 10.658 -1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.070 11.621 -3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.387 10.007 -3.979 1.00 0.00 H new ATOM 0 HE ARG A 100 11.177 9.891 -4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.412 12.340 -2.190 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.737 12.869 -2.377 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.012 10.574 -4.987 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.374 11.866 -3.965 1.00 0.00 H new ATOM 1564 N LYS A 101 14.064 7.076 -4.544 1.00 0.00 N ATOM 1565 CA LYS A 101 15.019 6.170 -5.159 1.00 0.00 C ATOM 1566 C LYS A 101 16.426 6.498 -4.654 1.00 0.00 C ATOM 1567 O LYS A 101 16.928 7.599 -4.875 1.00 0.00 O ATOM 1568 CB LYS A 101 14.889 6.209 -6.683 1.00 0.00 C ATOM 1569 CG LYS A 101 14.126 4.988 -7.200 1.00 0.00 C ATOM 1570 CD LYS A 101 14.536 4.651 -8.635 1.00 0.00 C ATOM 1571 CE LYS A 101 14.399 3.151 -8.906 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.841 2.918 -10.257 1.00 0.00 N ATOM 0 H LYS A 101 14.015 8.000 -4.974 1.00 0.00 H new ATOM 0 HA LYS A 101 14.808 5.141 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.372 7.120 -6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.880 6.241 -7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.320 4.133 -6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.054 5.181 -7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.914 5.209 -9.335 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.567 4.962 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.373 2.669 -8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.752 2.697 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.382 1.985 -10.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.141 3.656 -10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.607 2.949 -10.959 1.00 0.00 H new ATOM 1585 N LYS A 102 17.021 5.522 -3.984 1.00 0.00 N ATOM 1586 CA LYS A 102 18.360 5.693 -3.445 1.00 0.00 C ATOM 1587 C LYS A 102 19.323 6.036 -4.583 1.00 0.00 C ATOM 1588 O LYS A 102 20.322 6.721 -4.370 1.00 0.00 O ATOM 1589 CB LYS A 102 18.774 4.460 -2.639 1.00 0.00 C ATOM 1590 CG LYS A 102 20.032 4.742 -1.814 1.00 0.00 C ATOM 1591 CD LYS A 102 20.201 3.707 -0.701 1.00 0.00 C ATOM 1592 CE LYS A 102 21.668 3.585 -0.283 1.00 0.00 C ATOM 1593 NZ LYS A 102 21.830 2.524 0.736 1.00 0.00 N ATOM 0 H LYS A 102 16.601 4.611 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 102 18.385 6.527 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.960 4.163 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.957 3.624 -3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.907 4.729 -2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.971 5.740 -1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.596 3.992 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.835 2.739 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 102 22.283 3.358 -1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 102 22.019 4.537 0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 22.831 2.454 1.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 21.259 2.757 1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.514 1.614 0.343 1.00 0.00 H new ATOM 1607 N VAL A 103 18.989 5.543 -5.767 1.00 0.00 N ATOM 1608 CA VAL A 103 19.812 5.789 -6.939 1.00 0.00 C ATOM 1609 C VAL A 103 18.918 5.867 -8.178 1.00 0.00 C ATOM 1610 O VAL A 103 18.240 4.899 -8.521 1.00 0.00 O ATOM 1611 CB VAL A 103 20.897 4.715 -7.051 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.598 3.535 -6.124 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.057 4.247 -8.499 1.00 0.00 C ATOM 0 H VAL A 103 18.160 4.975 -5.940 1.00 0.00 H new ATOM 0 HA VAL A 103 20.327 6.745 -6.850 1.00 0.00 H new ATOM 0 HB VAL A 103 21.841 5.158 -6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.384 2.786 -6.223 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.557 3.884 -5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.639 3.093 -6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 103 21.834 3.484 -8.551 1.00 0.00 H new ATOM 0 HG22 VAL A 103 20.114 3.830 -8.853 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.337 5.093 -9.126 1.00 0.00 H new ATOM 1623 N GLU A 104 18.944 7.028 -8.815 1.00 0.00 N ATOM 1624 CA GLU A 104 18.144 7.245 -10.009 1.00 0.00 C ATOM 1625 C GLU A 104 18.660 6.376 -11.158 1.00 0.00 C ATOM 1626 O GLU A 104 19.620 5.626 -10.992 1.00 0.00 O ATOM 1627 CB GLU A 104 18.134 8.724 -10.401 1.00 0.00 C ATOM 1628 CG GLU A 104 17.660 9.596 -9.237 1.00 0.00 C ATOM 1629 CD GLU A 104 18.839 10.049 -8.375 1.00 0.00 C ATOM 1630 OE1 GLU A 104 19.659 10.833 -8.901 1.00 0.00 O ATOM 1631 OE2 GLU A 104 18.895 9.602 -7.209 1.00 0.00 O ATOM 0 H GLU A 104 19.506 7.829 -8.527 1.00 0.00 H new ATOM 0 HA GLU A 104 17.116 6.954 -9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.135 9.030 -10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.480 8.872 -11.261 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.131 10.468 -9.623 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.951 9.038 -8.625 1.00 0.00 H new ATOM 1638 N ASN A 105 17.998 6.507 -12.299 1.00 0.00 N ATOM 1639 CA ASN A 105 18.377 5.744 -13.476 1.00 0.00 C ATOM 1640 C ASN A 105 18.514 4.267 -13.098 1.00 0.00 C ATOM 1641 O ASN A 105 19.569 3.668 -13.297 1.00 0.00 O ATOM 1642 CB ASN A 105 19.723 6.217 -14.029 1.00 0.00 C ATOM 1643 CG ASN A 105 19.544 7.433 -14.940 1.00 0.00 C ATOM 1644 OD1 ASN A 105 18.855 7.392 -15.946 1.00 0.00 O ATOM 1645 ND2 ASN A 105 20.200 8.516 -14.532 1.00 0.00 N ATOM 0 H ASN A 105 17.202 7.130 -12.433 1.00 0.00 H new ATOM 0 HA ASN A 105 17.606 5.886 -14.233 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.390 6.470 -13.205 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.196 5.408 -14.585 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.143 9.380 -15.071 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.760 8.482 -13.680 1.00 0.00 H new ATOM 1652 N THR A 106 17.432 3.724 -12.560 1.00 0.00 N ATOM 1653 CA THR A 106 17.418 2.330 -12.153 1.00 0.00 C ATOM 1654 C THR A 106 16.070 1.689 -12.490 1.00 0.00 C ATOM 1655 O THR A 106 15.035 2.352 -12.442 1.00 0.00 O ATOM 1656 CB THR A 106 17.765 2.268 -10.664 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.181 2.427 -10.630 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.532 0.880 -10.065 1.00 0.00 C ATOM 0 H THR A 106 16.559 4.225 -12.397 1.00 0.00 H new ATOM 0 HA THR A 106 18.163 1.752 -12.699 1.00 0.00 H new ATOM 0 HB THR A 106 17.168 3.002 -10.122 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.545 1.951 -9.854 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.794 0.892 -9.007 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.483 0.607 -10.176 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.153 0.151 -10.584 1.00 0.00 H new ATOM 1666 N ARG A 107 16.127 0.408 -12.823 1.00 0.00 N ATOM 1667 CA ARG A 107 14.923 -0.329 -13.167 1.00 0.00 C ATOM 1668 C ARG A 107 14.525 -1.262 -12.021 1.00 0.00 C ATOM 1669 O ARG A 107 15.367 -1.653 -11.214 1.00 0.00 O ATOM 1670 CB ARG A 107 15.128 -1.154 -14.439 1.00 0.00 C ATOM 1671 CG ARG A 107 13.988 -0.921 -15.433 1.00 0.00 C ATOM 1672 CD ARG A 107 14.328 0.215 -16.400 1.00 0.00 C ATOM 1673 NE ARG A 107 13.091 0.915 -16.813 1.00 0.00 N ATOM 1674 CZ ARG A 107 13.042 1.851 -17.771 1.00 0.00 C ATOM 1675 NH1 ARG A 107 14.159 2.205 -18.420 1.00 0.00 N ATOM 1676 NH2 ARG A 107 11.875 2.433 -18.079 1.00 0.00 N ATOM 0 H ARG A 107 16.988 -0.138 -12.862 1.00 0.00 H new ATOM 0 HA ARG A 107 14.128 0.397 -13.341 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.078 -0.887 -14.901 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.183 -2.213 -14.185 1.00 0.00 H new ATOM 0 HG2 ARG A 107 13.797 -1.836 -15.994 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.072 -0.681 -14.892 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.011 0.918 -15.923 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.840 -0.183 -17.276 1.00 0.00 H new ATOM 0 HE ARG A 107 12.222 0.670 -16.339 1.00 0.00 H new ATOM 0 HH11 ARG A 107 15.047 1.762 -18.185 1.00 0.00 H new ATOM 0 HH12 ARG A 107 14.121 2.917 -19.149 1.00 0.00 H new ATOM 0 HH21 ARG A 107 11.025 2.164 -17.584 1.00 0.00 H new ATOM 0 HH22 ARG A 107 11.837 3.145 -18.808 1.00 0.00 H new ATOM 1690 N TRP A 108 13.242 -1.591 -11.987 1.00 0.00 N ATOM 1691 CA TRP A 108 12.723 -2.470 -10.953 1.00 0.00 C ATOM 1692 C TRP A 108 12.023 -3.645 -11.639 1.00 0.00 C ATOM 1693 O TRP A 108 10.868 -3.531 -12.047 1.00 0.00 O ATOM 1694 CB TRP A 108 11.808 -1.707 -9.993 1.00 0.00 C ATOM 1695 CG TRP A 108 12.556 -0.920 -8.914 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.669 -0.187 -9.051 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.196 -0.817 -7.521 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.052 0.379 -7.852 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.128 -0.016 -6.892 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.119 -1.381 -6.814 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.077 0.293 -5.527 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 11.083 -1.063 -5.452 1.00 0.00 C ATOM 1703 CH2 TRP A 108 12.013 -0.258 -4.804 1.00 0.00 C ATOM 0 H TRP A 108 12.547 -1.265 -12.658 1.00 0.00 H new ATOM 0 HA TRP A 108 13.533 -2.859 -10.336 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.189 -1.018 -10.568 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.134 -2.414 -9.511 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.200 -0.056 -9.982 1.00 0.00 H new ATOM 0 HE1 TRP A 108 14.864 0.977 -7.699 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.378 -2.010 -7.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.819 0.922 -5.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.276 -1.472 -4.862 1.00 0.00 H new ATOM 0 HH2 TRP A 108 11.915 -0.059 -3.747 1.00 0.00 H new ATOM 1714 N ASP A 109 12.751 -4.746 -11.745 1.00 0.00 N ATOM 1715 CA ASP A 109 12.214 -5.941 -12.375 1.00 0.00 C ATOM 1716 C ASP A 109 11.095 -6.513 -11.502 1.00 0.00 C ATOM 1717 O ASP A 109 10.308 -7.341 -11.959 1.00 0.00 O ATOM 1718 CB ASP A 109 13.292 -7.016 -12.527 1.00 0.00 C ATOM 1719 CG ASP A 109 13.524 -7.501 -13.959 1.00 0.00 C ATOM 1720 OD1 ASP A 109 12.952 -6.868 -14.873 1.00 0.00 O ATOM 1721 OD2 ASP A 109 14.269 -8.493 -14.109 1.00 0.00 O ATOM 0 H ASP A 109 13.709 -4.837 -11.405 1.00 0.00 H new ATOM 0 HA ASP A 109 11.841 -5.664 -13.361 1.00 0.00 H new ATOM 0 HB2 ASP A 109 14.231 -6.625 -12.135 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.020 -7.872 -11.909 1.00 0.00 H new ATOM 1726 N TYR A 110 11.060 -6.050 -10.261 1.00 0.00 N ATOM 1727 CA TYR A 110 10.051 -6.506 -9.321 1.00 0.00 C ATOM 1728 C TYR A 110 9.935 -5.547 -8.134 1.00 0.00 C ATOM 1729 O TYR A 110 10.906 -4.888 -7.766 1.00 0.00 O ATOM 1730 CB TYR A 110 10.530 -7.868 -8.815 1.00 0.00 C ATOM 1731 CG TYR A 110 10.652 -8.930 -9.910 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.521 -9.399 -10.545 1.00 0.00 C ATOM 1733 CD2 TYR A 110 11.894 -9.419 -10.262 1.00 0.00 C ATOM 1734 CE1 TYR A 110 9.635 -10.399 -11.575 1.00 0.00 C ATOM 1735 CE2 TYR A 110 12.009 -10.418 -11.292 1.00 0.00 C ATOM 1736 CZ TYR A 110 10.874 -10.859 -11.897 1.00 0.00 C ATOM 1737 OH TYR A 110 10.982 -11.804 -12.870 1.00 0.00 O ATOM 0 H TYR A 110 11.714 -5.364 -9.885 1.00 0.00 H new ATOM 0 HA TYR A 110 9.074 -6.559 -9.802 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.500 -7.745 -8.333 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.838 -8.225 -8.052 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.549 -9.016 -10.270 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.780 -9.052 -9.765 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.757 -10.775 -12.080 1.00 0.00 H new ATOM 0 HE2 TYR A 110 12.975 -10.808 -11.578 1.00 0.00 H new ATOM 0 HH TYR A 110 11.925 -12.038 -12.996 1.00 0.00 H new ATOM 1747 N LEU A 111 8.738 -5.499 -7.568 1.00 0.00 N ATOM 1748 CA LEU A 111 8.482 -4.632 -6.431 1.00 0.00 C ATOM 1749 C LEU A 111 9.336 -5.087 -5.245 1.00 0.00 C ATOM 1750 O LEU A 111 9.818 -4.263 -4.470 1.00 0.00 O ATOM 1751 CB LEU A 111 6.984 -4.577 -6.124 1.00 0.00 C ATOM 1752 CG LEU A 111 6.518 -3.403 -5.262 1.00 0.00 C ATOM 1753 CD1 LEU A 111 6.222 -3.856 -3.831 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.531 -2.257 -5.302 1.00 0.00 C ATOM 0 H LEU A 111 7.935 -6.047 -7.876 1.00 0.00 H new ATOM 0 HA LEU A 111 8.774 -3.607 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.441 -4.546 -7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.702 -5.503 -5.624 1.00 0.00 H new ATOM 0 HG LEU A 111 5.585 -3.023 -5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.893 -3.002 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.437 -4.613 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.125 -4.277 -3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.175 -1.435 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.492 -2.607 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 111 7.649 -1.911 -6.329 1.00 0.00 H new ATOM 1766 N THR A 112 9.497 -6.398 -5.142 1.00 0.00 N ATOM 1767 CA THR A 112 10.284 -6.973 -4.065 1.00 0.00 C ATOM 1768 C THR A 112 11.252 -8.024 -4.613 1.00 0.00 C ATOM 1769 O THR A 112 11.202 -8.362 -5.794 1.00 0.00 O ATOM 1770 CB THR A 112 9.318 -7.526 -3.016 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.378 -8.282 -3.774 1.00 0.00 O ATOM 1772 CG2 THR A 112 8.473 -6.430 -2.362 1.00 0.00 C ATOM 0 H THR A 112 9.096 -7.079 -5.787 1.00 0.00 H new ATOM 0 HA THR A 112 10.909 -6.219 -3.587 1.00 0.00 H new ATOM 0 HB THR A 112 9.881 -8.057 -2.249 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.715 -8.678 -3.171 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.805 -6.876 -1.626 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.128 -5.711 -1.869 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.884 -5.921 -3.125 1.00 0.00 H new ATOM 1780 N GLN A 113 12.110 -8.510 -3.728 1.00 0.00 N ATOM 1781 CA GLN A 113 13.087 -9.516 -4.109 1.00 0.00 C ATOM 1782 C GLN A 113 12.434 -10.898 -4.164 1.00 0.00 C ATOM 1783 O GLN A 113 12.893 -11.777 -4.891 1.00 0.00 O ATOM 1784 CB GLN A 113 14.280 -9.511 -3.150 1.00 0.00 C ATOM 1785 CG GLN A 113 15.085 -8.217 -3.282 1.00 0.00 C ATOM 1786 CD GLN A 113 16.524 -8.507 -3.711 1.00 0.00 C ATOM 1787 OE1 GLN A 113 17.026 -9.612 -3.585 1.00 0.00 O ATOM 1788 NE2 GLN A 113 17.159 -7.456 -4.223 1.00 0.00 N ATOM 0 H GLN A 113 12.149 -8.226 -2.749 1.00 0.00 H new ATOM 0 HA GLN A 113 13.460 -9.273 -5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 113 13.927 -9.621 -2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 113 14.923 -10.366 -3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 113 14.609 -7.562 -4.012 1.00 0.00 H new ATOM 0 HG3 GLN A 113 15.086 -7.686 -2.330 1.00 0.00 H new ATOM 0 HE21 GLN A 113 16.680 -6.559 -4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 113 18.125 -7.548 -4.538 1.00 0.00 H new ATOM 1797 N VAL A 114 11.372 -11.047 -3.385 1.00 0.00 N ATOM 1798 CA VAL A 114 10.650 -12.307 -3.336 1.00 0.00 C ATOM 1799 C VAL A 114 10.048 -12.598 -4.712 1.00 0.00 C ATOM 1800 O VAL A 114 10.236 -13.684 -5.259 1.00 0.00 O ATOM 1801 CB VAL A 114 9.603 -12.267 -2.221 1.00 0.00 C ATOM 1802 CG1 VAL A 114 8.553 -13.363 -2.416 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.263 -12.377 -0.845 1.00 0.00 C ATOM 0 H VAL A 114 10.994 -10.316 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 114 11.327 -13.127 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 114 9.095 -11.304 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 114 7.821 -13.313 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 114 8.051 -13.219 -3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.039 -14.339 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.497 -12.346 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.809 -13.318 -0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.954 -11.546 -0.705 1.00 0.00 H new ATOM 1813 N GLU A 115 9.335 -11.610 -5.232 1.00 0.00 N ATOM 1814 CA GLU A 115 8.704 -11.747 -6.534 1.00 0.00 C ATOM 1815 C GLU A 115 9.732 -12.185 -7.579 1.00 0.00 C ATOM 1816 O GLU A 115 9.373 -12.759 -8.606 1.00 0.00 O ATOM 1817 CB GLU A 115 8.019 -10.444 -6.951 1.00 0.00 C ATOM 1818 CG GLU A 115 6.982 -10.696 -8.047 1.00 0.00 C ATOM 1819 CD GLU A 115 5.963 -9.556 -8.111 1.00 0.00 C ATOM 1820 OE1 GLU A 115 6.342 -8.485 -8.633 1.00 0.00 O ATOM 1821 OE2 GLU A 115 4.829 -9.782 -7.637 1.00 0.00 O ATOM 0 H GLU A 115 9.180 -10.711 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 115 7.936 -12.517 -6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.536 -9.990 -6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.766 -9.735 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.483 -10.795 -9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.468 -11.638 -7.856 1.00 0.00 H new ATOM 1828 N LYS A 116 10.991 -11.896 -7.281 1.00 0.00 N ATOM 1829 CA LYS A 116 12.074 -12.253 -8.182 1.00 0.00 C ATOM 1830 C LYS A 116 12.398 -13.739 -8.019 1.00 0.00 C ATOM 1831 O LYS A 116 12.462 -14.476 -9.002 1.00 0.00 O ATOM 1832 CB LYS A 116 13.277 -11.333 -7.965 1.00 0.00 C ATOM 1833 CG LYS A 116 14.431 -11.711 -8.895 1.00 0.00 C ATOM 1834 CD LYS A 116 15.508 -10.625 -8.902 1.00 0.00 C ATOM 1835 CE LYS A 116 16.895 -11.228 -9.135 1.00 0.00 C ATOM 1836 NZ LYS A 116 17.760 -10.274 -9.864 1.00 0.00 N ATOM 0 H LYS A 116 11.285 -11.419 -6.429 1.00 0.00 H new ATOM 0 HA LYS A 116 11.772 -12.104 -9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.985 -10.298 -8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.605 -11.397 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 116 14.866 -12.658 -8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.054 -11.860 -9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 116 15.289 -9.896 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.495 -10.089 -7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 116 17.352 -11.484 -8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 116 16.805 -12.154 -9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 18.697 -10.699 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 17.331 -10.050 -10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 17.861 -9.401 -9.307 1.00 0.00 H new ATOM 1850 N GLU A 117 12.596 -14.135 -6.770 1.00 0.00 N ATOM 1851 CA GLU A 117 12.913 -15.520 -6.466 1.00 0.00 C ATOM 1852 C GLU A 117 11.710 -16.418 -6.765 1.00 0.00 C ATOM 1853 O GLU A 117 11.875 -17.566 -7.174 1.00 0.00 O ATOM 1854 CB GLU A 117 13.362 -15.673 -5.011 1.00 0.00 C ATOM 1855 CG GLU A 117 12.189 -16.073 -4.114 1.00 0.00 C ATOM 1856 CD GLU A 117 12.629 -16.184 -2.653 1.00 0.00 C ATOM 1857 OE1 GLU A 117 13.755 -16.680 -2.435 1.00 0.00 O ATOM 1858 OE2 GLU A 117 11.829 -15.769 -1.786 1.00 0.00 O ATOM 0 H GLU A 117 12.543 -13.521 -5.957 1.00 0.00 H new ATOM 0 HA GLU A 117 13.741 -15.831 -7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 117 14.147 -16.426 -4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 117 13.791 -14.735 -4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.391 -15.336 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 117 11.780 -17.027 -4.448 1.00 0.00 H new ATOM 1865 N CYS A 118 10.528 -15.860 -6.551 1.00 0.00 N ATOM 1866 CA CYS A 118 9.299 -16.596 -6.793 1.00 0.00 C ATOM 1867 C CYS A 118 9.132 -16.769 -8.304 1.00 0.00 C ATOM 1868 O CYS A 118 8.889 -17.875 -8.783 1.00 0.00 O ATOM 1869 CB CYS A 118 8.090 -15.902 -6.161 1.00 0.00 C ATOM 1870 SG CYS A 118 7.895 -16.446 -4.424 1.00 0.00 S ATOM 0 H CYS A 118 10.395 -14.907 -6.213 1.00 0.00 H new ATOM 0 HA CYS A 118 9.360 -17.576 -6.321 1.00 0.00 H new ATOM 0 HB2 CYS A 118 8.219 -14.820 -6.200 1.00 0.00 H new ATOM 0 HB3 CYS A 118 7.189 -16.136 -6.728 1.00 0.00 H new ATOM 0 HG CYS A 118 6.868 -15.850 -3.895 1.00 0.00 H new ATOM 1876 N LYS A 119 9.268 -15.658 -9.013 1.00 0.00 N ATOM 1877 CA LYS A 119 9.135 -15.672 -10.460 1.00 0.00 C ATOM 1878 C LYS A 119 10.126 -16.678 -11.049 1.00 0.00 C ATOM 1879 O LYS A 119 9.724 -17.665 -11.662 1.00 0.00 O ATOM 1880 CB LYS A 119 9.285 -14.258 -11.026 1.00 0.00 C ATOM 1881 CG LYS A 119 8.037 -13.419 -10.742 1.00 0.00 C ATOM 1882 CD LYS A 119 6.938 -13.707 -11.766 1.00 0.00 C ATOM 1883 CE LYS A 119 5.828 -14.564 -11.152 1.00 0.00 C ATOM 1884 NZ LYS A 119 5.681 -15.833 -11.899 1.00 0.00 N ATOM 0 H LYS A 119 9.469 -14.742 -8.612 1.00 0.00 H new ATOM 0 HA LYS A 119 8.136 -16.001 -10.747 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.159 -13.777 -10.586 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.457 -14.309 -12.101 1.00 0.00 H new ATOM 0 HG2 LYS A 119 7.670 -13.635 -9.739 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.293 -12.360 -10.766 1.00 0.00 H new ATOM 0 HD2 LYS A 119 6.519 -12.768 -12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 119 7.364 -14.220 -12.628 1.00 0.00 H new ATOM 0 HE2 LYS A 119 6.058 -14.774 -10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.886 -14.015 -11.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.300 -16.566 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.030 -15.692 -12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.609 -16.134 -12.258 1.00 0.00 H new ATOM 1898 N GLU A 120 11.404 -16.393 -10.842 1.00 0.00 N ATOM 1899 CA GLU A 120 12.455 -17.260 -11.344 1.00 0.00 C ATOM 1900 C GLU A 120 13.007 -18.134 -10.216 1.00 0.00 C ATOM 1901 O GLU A 120 13.931 -17.732 -9.510 1.00 0.00 O ATOM 1902 CB GLU A 120 13.570 -16.445 -12.002 1.00 0.00 C ATOM 1903 CG GLU A 120 13.206 -16.081 -13.443 1.00 0.00 C ATOM 1904 CD GLU A 120 13.788 -17.097 -14.429 1.00 0.00 C ATOM 1905 OE1 GLU A 120 13.125 -18.138 -14.628 1.00 0.00 O ATOM 1906 OE2 GLU A 120 14.882 -16.809 -14.961 1.00 0.00 O ATOM 0 H GLU A 120 11.734 -15.573 -10.333 1.00 0.00 H new ATOM 0 HA GLU A 120 12.028 -17.912 -12.106 1.00 0.00 H new ATOM 0 HB2 GLU A 120 13.748 -15.536 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 120 14.498 -17.016 -11.991 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.122 -16.045 -13.550 1.00 0.00 H new ATOM 0 HG3 GLU A 120 13.583 -15.085 -13.677 1.00 0.00 H new ATOM 1913 N LYS A 121 12.418 -19.313 -10.081 1.00 0.00 N ATOM 1914 CA LYS A 121 12.839 -20.247 -9.051 1.00 0.00 C ATOM 1915 C LYS A 121 14.337 -20.522 -9.200 1.00 0.00 C ATOM 1916 O LYS A 121 14.743 -21.331 -10.033 1.00 0.00 O ATOM 1917 CB LYS A 121 11.975 -21.509 -9.086 1.00 0.00 C ATOM 1918 CG LYS A 121 10.747 -21.358 -8.186 1.00 0.00 C ATOM 1919 CD LYS A 121 11.089 -21.686 -6.731 1.00 0.00 C ATOM 1920 CE LYS A 121 11.104 -23.198 -6.500 1.00 0.00 C ATOM 1921 NZ LYS A 121 10.932 -23.504 -5.062 1.00 0.00 N ATOM 0 H LYS A 121 11.652 -19.643 -10.668 1.00 0.00 H new ATOM 0 HA LYS A 121 12.691 -19.815 -8.061 1.00 0.00 H new ATOM 0 HB2 LYS A 121 11.658 -21.709 -10.110 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.564 -22.367 -8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 121 10.366 -20.339 -8.253 1.00 0.00 H new ATOM 0 HG3 LYS A 121 9.953 -22.019 -8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 121 12.063 -21.266 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 121 10.360 -21.220 -6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 121 10.307 -23.668 -7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 121 12.045 -23.617 -6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.944 -24.535 -4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 11.707 -23.072 -4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.023 -23.121 -4.732 1.00 0.00 H new ATOM 1935 N SER A 122 15.117 -19.834 -8.380 1.00 0.00 N ATOM 1936 CA SER A 122 16.561 -19.994 -8.410 1.00 0.00 C ATOM 1937 C SER A 122 17.050 -20.584 -7.085 1.00 0.00 C ATOM 1938 O SER A 122 16.295 -20.653 -6.117 1.00 0.00 O ATOM 1939 CB SER A 122 17.258 -18.660 -8.686 1.00 0.00 C ATOM 1940 OG SER A 122 18.591 -18.842 -9.156 1.00 0.00 O ATOM 0 H SER A 122 14.776 -19.164 -7.690 1.00 0.00 H new ATOM 0 HA SER A 122 16.812 -20.679 -9.220 1.00 0.00 H new ATOM 0 HB2 SER A 122 16.686 -18.098 -9.425 1.00 0.00 H new ATOM 0 HB3 SER A 122 17.273 -18.063 -7.774 1.00 0.00 H new ATOM 0 HG SER A 122 19.001 -17.968 -9.322 1.00 0.00 H new ATOM 1946 N GLY A 123 18.310 -20.993 -7.086 1.00 0.00 N ATOM 1947 CA GLY A 123 18.908 -21.575 -5.896 1.00 0.00 C ATOM 1948 C GLY A 123 20.210 -20.860 -5.532 1.00 0.00 C ATOM 1949 O GLY A 123 20.923 -20.375 -6.409 1.00 0.00 O ATOM 0 H GLY A 123 18.933 -20.933 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 123 18.208 -21.509 -5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 123 19.105 -22.634 -6.064 1.00 0.00 H new ATOM 1953 N PRO A 124 20.489 -20.815 -4.201 1.00 0.00 N ATOM 1954 CA PRO A 124 21.693 -20.167 -3.710 1.00 0.00 C ATOM 1955 C PRO A 124 22.928 -21.031 -3.975 1.00 0.00 C ATOM 1956 O PRO A 124 23.855 -20.602 -4.660 1.00 0.00 O ATOM 1957 CB PRO A 124 21.438 -19.934 -2.230 1.00 0.00 C ATOM 1958 CG PRO A 124 20.303 -20.870 -1.849 1.00 0.00 C ATOM 1959 CD PRO A 124 19.668 -21.379 -3.134 1.00 0.00 C ATOM 0 HA PRO A 124 21.901 -19.225 -4.218 1.00 0.00 H new ATOM 0 HB2 PRO A 124 22.331 -20.144 -1.642 1.00 0.00 H new ATOM 0 HB3 PRO A 124 21.168 -18.895 -2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 124 20.678 -21.702 -1.253 1.00 0.00 H new ATOM 0 HG3 PRO A 124 19.566 -20.348 -1.239 1.00 0.00 H new ATOM 0 HD2 PRO A 124 19.665 -22.468 -3.170 1.00 0.00 H new ATOM 0 HD3 PRO A 124 18.631 -21.055 -3.219 1.00 0.00 H new ATOM 1967 N SER A 125 22.900 -22.233 -3.418 1.00 0.00 N ATOM 1968 CA SER A 125 24.005 -23.161 -3.586 1.00 0.00 C ATOM 1969 C SER A 125 25.224 -22.670 -2.803 1.00 0.00 C ATOM 1970 O SER A 125 26.084 -21.982 -3.352 1.00 0.00 O ATOM 1971 CB SER A 125 24.359 -23.335 -5.064 1.00 0.00 C ATOM 1972 OG SER A 125 24.317 -24.702 -5.466 1.00 0.00 O ATOM 0 H SER A 125 22.129 -22.585 -2.850 1.00 0.00 H new ATOM 0 HA SER A 125 23.698 -24.132 -3.197 1.00 0.00 H new ATOM 0 HB2 SER A 125 23.665 -22.756 -5.674 1.00 0.00 H new ATOM 0 HB3 SER A 125 25.356 -22.934 -5.248 1.00 0.00 H new ATOM 0 HG SER A 125 24.547 -24.771 -6.416 1.00 0.00 H new ATOM 1978 N SER A 126 25.260 -23.042 -1.532 1.00 0.00 N ATOM 1979 CA SER A 126 26.360 -22.648 -0.667 1.00 0.00 C ATOM 1980 C SER A 126 27.632 -23.401 -1.062 1.00 0.00 C ATOM 1981 O SER A 126 27.687 -24.626 -0.964 1.00 0.00 O ATOM 1982 CB SER A 126 26.025 -22.906 0.803 1.00 0.00 C ATOM 1983 OG SER A 126 26.400 -21.812 1.636 1.00 0.00 O ATOM 0 H SER A 126 24.545 -23.612 -1.080 1.00 0.00 H new ATOM 0 HA SER A 126 26.526 -21.578 -0.791 1.00 0.00 H new ATOM 0 HB2 SER A 126 24.955 -23.089 0.904 1.00 0.00 H new ATOM 0 HB3 SER A 126 26.536 -23.809 1.138 1.00 0.00 H new ATOM 0 HG SER A 126 26.168 -22.015 2.566 1.00 0.00 H new ATOM 1989 N GLY A 127 28.622 -22.637 -1.499 1.00 0.00 N ATOM 1990 CA GLY A 127 29.890 -23.218 -1.908 1.00 0.00 C ATOM 1991 C GLY A 127 31.066 -22.394 -1.381 1.00 0.00 C ATOM 1992 O GLY A 127 31.318 -22.365 -0.177 1.00 0.00 O ATOM 0 H GLY A 127 28.572 -21.621 -1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 127 29.962 -24.240 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 127 29.936 -23.270 -2.996 1.00 0.00 H new TER 1996 GLY A 127