USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 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 NoAdj-H: A 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 46 THR OG1 : rot -68:sc= 0.342 USER MOD Set 1.2: A1052 NAG O6 : rot -136:sc= 1.32 USER MOD Set 2.1: A 13 GLN :FLIP amide:sc= -0.403 F(o=-1.4,f=-0.42) USER MOD Set 2.2: A 29 MET CE :methyl 170:sc= -0.0164 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.026) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -12.5! C(o=-12!,f=-16!) USER MOD Single : A 19 SER OG : rot 45:sc= 0.673 USER MOD Single : A 20 GLN : amide:sc= -0.849 X(o=-0.85,f=-1.2) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.122 F(o=-1.4,f=-0.12) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 24:sc= 0.983 USER MOD Single : A 43 SER OG : rot -52:sc= 0.598! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.053 (180deg=-0.25) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0881 F(o=-0.76,f=-0.088) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0774 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0834 K(o=-0.083,f=-1.1) USER MOD Single : A 69 THR OG1 : rot -58:sc= 0.141 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -24.7! C(o=-25!,f=-28!) USER MOD Single : A 80 THR OG1 : rot -44:sc= -2.01! USER MOD Single : A 83 HIS :FLIP no HD1:sc= -1.08 F(o=-2.1,f=-1.1) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.811 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A1052 NAG O3 : rot 180:sc= 0 USER MOD Single : A1052 NAG O4 : rot -161:sc= 1.15 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot -152:sc= 1.14 USER MOD Single : A1078 NAG O6 : rot 180:sc= 0.885 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.869 18.414 4.938 1.00 0.00 N ATOM 2 CA ALA A 1 -5.561 17.950 4.410 1.00 0.00 C ATOM 3 C ALA A 1 -5.105 16.678 5.117 1.00 0.00 C ATOM 4 O ALA A 1 -4.416 16.735 6.136 1.00 0.00 O ATOM 5 CB ALA A 1 -4.514 19.043 4.565 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.157 19.281 4.440 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.585 17.675 4.789 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.782 18.612 5.955 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.683 17.724 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.559 18.691 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.828 19.928 4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.404 19.294 5.620 1.00 0.00 H new ATOM 13 N PRO A 2 -5.487 15.510 4.580 1.00 0.00 N ATOM 14 CA PRO A 2 -5.121 14.213 5.153 1.00 0.00 C ATOM 15 C PRO A 2 -3.653 13.880 4.917 1.00 0.00 C ATOM 16 O PRO A 2 -3.328 12.923 4.214 1.00 0.00 O ATOM 17 CB PRO A 2 -6.019 13.211 4.410 1.00 0.00 C ATOM 18 CG PRO A 2 -6.975 14.033 3.605 1.00 0.00 C ATOM 19 CD PRO A 2 -6.305 15.357 3.376 1.00 0.00 C ATOM 0 HA PRO A 2 -5.257 14.197 6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.428 12.559 3.767 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.551 12.569 5.112 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.205 13.545 2.658 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.919 14.162 4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.698 15.354 2.471 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.029 16.165 3.271 1.00 0.00 H new ATOM 27 N ASP A 3 -2.769 14.680 5.503 1.00 0.00 N ATOM 28 CA ASP A 3 -1.334 14.473 5.349 1.00 0.00 C ATOM 29 C ASP A 3 -0.920 14.639 3.891 1.00 0.00 C ATOM 30 O ASP A 3 -1.735 14.473 2.982 1.00 0.00 O ATOM 31 CB ASP A 3 -0.938 13.083 5.850 1.00 0.00 C ATOM 32 CG ASP A 3 0.265 13.125 6.773 1.00 0.00 C ATOM 33 OD1 ASP A 3 0.102 13.538 7.941 1.00 0.00 O ATOM 34 OD2 ASP A 3 1.368 12.745 6.329 1.00 0.00 O ATOM 0 H ASP A 3 -3.021 15.477 6.088 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.816 15.224 5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.781 12.635 6.376 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.717 12.441 4.997 1.00 0.00 H new ATOM 39 N VAL A 4 0.348 14.971 3.674 1.00 0.00 N ATOM 40 CA VAL A 4 0.865 15.163 2.325 1.00 0.00 C ATOM 41 C VAL A 4 0.251 14.163 1.352 1.00 0.00 C ATOM 42 O VAL A 4 -0.098 13.045 1.732 1.00 0.00 O ATOM 43 CB VAL A 4 2.400 15.029 2.283 1.00 0.00 C ATOM 44 CG1 VAL A 4 3.033 15.765 3.453 1.00 0.00 C ATOM 45 CG2 VAL A 4 2.811 13.564 2.282 1.00 0.00 C ATOM 0 H VAL A 4 1.035 15.112 4.414 1.00 0.00 H new ATOM 0 HA VAL A 4 0.590 16.174 2.024 1.00 0.00 H new ATOM 0 HB VAL A 4 2.759 15.483 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.117 15.659 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.769 16.821 3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.667 15.343 4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.898 13.491 2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.440 13.081 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.390 13.069 1.407 1.00 0.00 H new ATOM 55 N GLN A 5 0.122 14.574 0.096 1.00 0.00 N ATOM 56 CA GLN A 5 -0.449 13.718 -0.937 1.00 0.00 C ATOM 57 C GLN A 5 0.239 13.956 -2.278 1.00 0.00 C ATOM 58 O GLN A 5 -0.190 14.800 -3.065 1.00 0.00 O ATOM 59 CB GLN A 5 -1.952 13.971 -1.068 1.00 0.00 C ATOM 60 CG GLN A 5 -2.759 12.709 -1.321 1.00 0.00 C ATOM 61 CD GLN A 5 -3.950 12.951 -2.226 1.00 0.00 C ATOM 62 OE1 GLN A 5 -5.087 12.642 -1.869 1.00 0.00 O ATOM 63 NE2 GLN A 5 -3.695 13.506 -3.405 1.00 0.00 N ATOM 0 H GLN A 5 0.406 15.497 -0.232 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.289 12.680 -0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.313 14.447 -0.156 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.125 14.673 -1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.114 11.953 -1.770 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.106 12.307 -0.369 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.737 13.746 -3.659 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.457 13.693 -4.056 1.00 0.00 H new ATOM 72 N ASP A 6 1.312 13.212 -2.528 1.00 0.00 N ATOM 73 CA ASP A 6 2.062 13.347 -3.770 1.00 0.00 C ATOM 74 C ASP A 6 2.069 12.038 -4.556 1.00 0.00 C ATOM 75 O ASP A 6 3.057 11.700 -5.207 1.00 0.00 O ATOM 76 CB ASP A 6 3.498 13.787 -3.475 1.00 0.00 C ATOM 77 CG ASP A 6 3.616 15.286 -3.273 1.00 0.00 C ATOM 78 OD1 ASP A 6 3.489 16.031 -4.268 1.00 0.00 O ATOM 79 OD2 ASP A 6 3.838 15.715 -2.121 1.00 0.00 O ATOM 0 H ASP A 6 1.681 12.510 -1.887 1.00 0.00 H new ATOM 0 HA ASP A 6 1.571 14.107 -4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.856 13.274 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.144 13.482 -4.298 1.00 0.00 H new ATOM 84 N CYS A 7 0.959 11.309 -4.494 1.00 0.00 N ATOM 85 CA CYS A 7 0.836 10.041 -5.203 1.00 0.00 C ATOM 86 C CYS A 7 -0.619 9.588 -5.252 1.00 0.00 C ATOM 87 O CYS A 7 -1.318 9.597 -4.239 1.00 0.00 O ATOM 88 CB CYS A 7 1.707 8.966 -4.538 1.00 0.00 C ATOM 89 SG CYS A 7 0.825 7.906 -3.340 1.00 0.00 S ATOM 0 H CYS A 7 0.132 11.575 -3.960 1.00 0.00 H new ATOM 0 HA CYS A 7 1.185 10.188 -6.225 1.00 0.00 H new ATOM 0 HB2 CYS A 7 2.137 8.334 -5.315 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.538 9.454 -4.028 1.00 0.00 H new ATOM 94 N PRO A 8 -1.090 9.174 -6.438 1.00 0.00 N ATOM 95 CA PRO A 8 -2.464 8.703 -6.626 1.00 0.00 C ATOM 96 C PRO A 8 -2.647 7.292 -6.085 1.00 0.00 C ATOM 97 O PRO A 8 -3.279 6.444 -6.715 1.00 0.00 O ATOM 98 CB PRO A 8 -2.631 8.725 -8.144 1.00 0.00 C ATOM 99 CG PRO A 8 -1.257 8.487 -8.673 1.00 0.00 C ATOM 100 CD PRO A 8 -0.311 9.124 -7.688 1.00 0.00 C ATOM 0 HA PRO A 8 -3.197 9.314 -6.099 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.324 7.953 -8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.028 9.681 -8.486 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.057 7.420 -8.771 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.140 8.925 -9.664 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.599 8.536 -7.569 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.007 10.120 -8.011 1.00 0.00 H new ATOM 108 N GLU A 9 -2.072 7.053 -4.915 1.00 0.00 N ATOM 109 CA GLU A 9 -2.138 5.754 -4.268 1.00 0.00 C ATOM 110 C GLU A 9 -2.283 5.925 -2.756 1.00 0.00 C ATOM 111 O GLU A 9 -2.070 7.016 -2.227 1.00 0.00 O ATOM 112 CB GLU A 9 -0.877 4.962 -4.604 1.00 0.00 C ATOM 113 CG GLU A 9 -1.144 3.543 -5.078 1.00 0.00 C ATOM 114 CD GLU A 9 -0.551 3.262 -6.445 1.00 0.00 C ATOM 115 OE1 GLU A 9 -0.082 4.218 -7.098 1.00 0.00 O ATOM 116 OE2 GLU A 9 -0.555 2.085 -6.863 1.00 0.00 O ATOM 0 H GLU A 9 -1.548 7.753 -4.390 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.009 5.208 -4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.322 5.494 -5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.238 4.925 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.731 2.839 -4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.220 3.372 -5.111 1.00 0.00 H new ATOM 123 N CYS A 10 -2.658 4.853 -2.065 1.00 0.00 N ATOM 124 CA CYS A 10 -2.843 4.912 -0.616 1.00 0.00 C ATOM 125 C CYS A 10 -3.890 5.963 -0.269 1.00 0.00 C ATOM 126 O CYS A 10 -3.670 6.802 0.604 1.00 0.00 O ATOM 127 CB CYS A 10 -1.527 5.264 0.091 1.00 0.00 C ATOM 128 SG CYS A 10 -0.569 3.834 0.703 1.00 0.00 S ATOM 0 H CYS A 10 -2.839 3.939 -2.479 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.175 3.930 -0.278 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.902 5.831 -0.599 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.749 5.920 0.933 1.00 0.00 H new ATOM 133 N THR A 11 -5.023 5.931 -0.966 1.00 0.00 N ATOM 134 CA THR A 11 -6.079 6.915 -0.716 1.00 0.00 C ATOM 135 C THR A 11 -7.460 6.350 -0.936 1.00 0.00 C ATOM 136 O THR A 11 -8.402 6.672 -0.215 1.00 0.00 O ATOM 137 CB THR A 11 -5.885 8.139 -1.601 1.00 0.00 C ATOM 138 OG1 THR A 11 -7.133 8.722 -1.933 1.00 0.00 O ATOM 139 CG2 THR A 11 -5.162 7.834 -2.895 1.00 0.00 C ATOM 0 H THR A 11 -5.234 5.250 -1.695 1.00 0.00 H new ATOM 0 HA THR A 11 -6.000 7.199 0.334 1.00 0.00 H new ATOM 0 HB THR A 11 -5.273 8.824 -1.015 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.987 9.508 -2.500 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.057 8.749 -3.478 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.174 7.430 -2.673 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.733 7.103 -3.467 1.00 0.00 H new ATOM 147 N LEU A 12 -7.551 5.517 -1.940 1.00 0.00 N ATOM 148 CA LEU A 12 -8.799 4.859 -2.325 1.00 0.00 C ATOM 149 C LEU A 12 -9.266 5.308 -3.685 1.00 0.00 C ATOM 150 O LEU A 12 -9.463 6.496 -3.937 1.00 0.00 O ATOM 151 CB LEU A 12 -9.900 5.094 -1.302 1.00 0.00 C ATOM 152 CG LEU A 12 -9.792 4.230 -0.050 1.00 0.00 C ATOM 153 CD1 LEU A 12 -8.373 4.231 0.497 1.00 0.00 C ATOM 154 CD2 LEU A 12 -10.769 4.719 0.998 1.00 0.00 C ATOM 0 H LEU A 12 -6.757 5.265 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.585 3.791 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.887 6.143 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.864 4.908 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.042 3.203 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.327 3.607 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.692 3.837 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.082 5.250 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.687 4.098 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.540 5.754 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.784 4.658 0.606 1.00 0.00 H new ATOM 166 N GLN A 13 -9.458 4.335 -4.556 1.00 0.00 N ATOM 167 CA GLN A 13 -9.926 4.614 -5.894 1.00 0.00 C ATOM 168 C GLN A 13 -11.417 4.450 -5.953 1.00 0.00 C ATOM 169 O GLN A 13 -11.960 3.755 -6.811 1.00 0.00 O ATOM 170 CB GLN A 13 -9.265 3.707 -6.897 1.00 0.00 C ATOM 171 CG GLN A 13 -7.763 3.896 -6.966 1.00 0.00 C ATOM 172 CD GLN A 13 -7.247 4.020 -8.388 1.00 0.00 C ATOM 173 OE1 GLN A 13 -6.197 4.815 -8.569 1.00 0.00 O flip ATOM 174 NE2 GLN A 13 -7.785 3.412 -9.312 1.00 0.00 N flip ATOM 0 H GLN A 13 -9.297 3.347 -4.358 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.665 5.642 -6.144 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.484 2.670 -6.641 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.694 3.889 -7.882 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.488 4.790 -6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.273 3.052 -6.480 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.589 2.812 -9.128 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.427 3.508 -10.262 1.00 0.00 H new ATOM 183 N GLU A 14 -12.046 5.085 -4.998 1.00 0.00 N ATOM 184 CA GLU A 14 -13.493 5.045 -4.842 1.00 0.00 C ATOM 185 C GLU A 14 -14.141 4.293 -5.979 1.00 0.00 C ATOM 186 O GLU A 14 -14.001 4.642 -7.149 1.00 0.00 O ATOM 187 CB GLU A 14 -14.099 6.432 -4.744 1.00 0.00 C ATOM 188 CG GLU A 14 -15.621 6.418 -4.713 1.00 0.00 C ATOM 189 CD GLU A 14 -16.229 7.617 -5.414 1.00 0.00 C ATOM 190 OE1 GLU A 14 -15.547 8.659 -5.507 1.00 0.00 O ATOM 191 OE2 GLU A 14 -17.388 7.514 -5.870 1.00 0.00 O ATOM 0 H GLU A 14 -11.572 5.652 -4.296 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.687 4.523 -3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.728 6.921 -3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.764 7.029 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.982 5.504 -5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.960 6.397 -3.677 1.00 0.00 H new ATOM 198 N ASN A 15 -14.833 3.253 -5.603 1.00 0.00 N ATOM 199 CA ASN A 15 -15.513 2.389 -6.537 1.00 0.00 C ATOM 200 C ASN A 15 -16.679 3.076 -7.229 1.00 0.00 C ATOM 201 O ASN A 15 -17.755 3.222 -6.650 1.00 0.00 O ATOM 202 CB ASN A 15 -16.001 1.146 -5.817 1.00 0.00 C ATOM 203 CG ASN A 15 -15.542 -0.119 -6.491 1.00 0.00 C ATOM 204 OD1 ASN A 15 -16.132 -0.575 -7.470 1.00 0.00 O ATOM 205 ND2 ASN A 15 -14.478 -0.686 -5.965 1.00 0.00 N ATOM 0 H ASN A 15 -14.944 2.975 -4.628 1.00 0.00 H new ATOM 0 HA ASN A 15 -14.795 2.120 -7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -15.640 1.159 -4.788 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.090 1.158 -5.773 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.105 -1.545 -6.370 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.026 -0.267 -5.152 1.00 0.00 H new ATOM 212 N PRO A 16 -16.501 3.456 -8.504 1.00 0.00 N ATOM 213 CA PRO A 16 -17.564 4.066 -9.288 1.00 0.00 C ATOM 214 C PRO A 16 -18.484 2.976 -9.804 1.00 0.00 C ATOM 215 O PRO A 16 -19.391 3.206 -10.604 1.00 0.00 O ATOM 216 CB PRO A 16 -16.808 4.740 -10.427 1.00 0.00 C ATOM 217 CG PRO A 16 -15.613 3.874 -10.642 1.00 0.00 C ATOM 218 CD PRO A 16 -15.272 3.265 -9.301 1.00 0.00 C ATOM 0 HA PRO A 16 -18.189 4.767 -8.735 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.420 4.804 -11.327 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -16.519 5.758 -10.165 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -15.825 3.098 -11.377 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -14.776 4.457 -11.026 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.016 2.210 -9.395 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.417 3.761 -8.842 1.00 0.00 H new ATOM 226 N PHE A 17 -18.208 1.777 -9.308 1.00 0.00 N ATOM 227 CA PHE A 17 -18.945 0.580 -9.649 1.00 0.00 C ATOM 228 C PHE A 17 -20.051 0.345 -8.638 1.00 0.00 C ATOM 229 O PHE A 17 -21.236 0.364 -8.971 1.00 0.00 O ATOM 230 CB PHE A 17 -17.987 -0.609 -9.640 1.00 0.00 C ATOM 231 CG PHE A 17 -18.308 -1.647 -10.664 1.00 0.00 C ATOM 232 CD1 PHE A 17 -19.466 -2.395 -10.567 1.00 0.00 C ATOM 233 CD2 PHE A 17 -17.448 -1.872 -11.721 1.00 0.00 C ATOM 234 CE1 PHE A 17 -19.763 -3.356 -11.514 1.00 0.00 C ATOM 235 CE2 PHE A 17 -17.736 -2.830 -12.673 1.00 0.00 C ATOM 236 CZ PHE A 17 -18.896 -3.574 -12.569 1.00 0.00 C ATOM 0 H PHE A 17 -17.450 1.612 -8.645 1.00 0.00 H new ATOM 0 HA PHE A 17 -19.389 0.695 -10.638 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -16.972 -0.248 -9.808 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -18.003 -1.069 -8.652 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -20.145 -2.227 -9.744 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -16.540 -1.292 -11.804 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -20.670 -3.936 -11.431 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -17.057 -2.997 -13.496 1.00 0.00 H new ATOM 0 HZ PHE A 17 -19.125 -4.325 -13.311 1.00 0.00 H new ATOM 246 N PHE A 18 -19.644 0.123 -7.395 1.00 0.00 N ATOM 247 CA PHE A 18 -20.585 -0.115 -6.315 1.00 0.00 C ATOM 248 C PHE A 18 -21.166 1.198 -5.806 1.00 0.00 C ATOM 249 O PHE A 18 -22.010 1.213 -4.910 1.00 0.00 O ATOM 250 CB PHE A 18 -19.881 -0.857 -5.188 1.00 0.00 C ATOM 251 CG PHE A 18 -18.863 -1.837 -5.688 1.00 0.00 C ATOM 252 CD1 PHE A 18 -19.244 -2.881 -6.509 1.00 0.00 C ATOM 253 CD2 PHE A 18 -17.529 -1.714 -5.342 1.00 0.00 C ATOM 254 CE1 PHE A 18 -18.315 -3.790 -6.977 1.00 0.00 C ATOM 255 CE2 PHE A 18 -16.593 -2.619 -5.807 1.00 0.00 C ATOM 256 CZ PHE A 18 -16.988 -3.659 -6.625 1.00 0.00 C ATOM 0 H PHE A 18 -18.664 0.103 -7.112 1.00 0.00 H new ATOM 0 HA PHE A 18 -21.409 -0.723 -6.689 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -19.393 -0.135 -4.532 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -20.622 -1.384 -4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -20.282 -2.988 -6.789 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -17.216 -0.902 -4.702 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -18.627 -4.602 -7.617 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -15.554 -2.513 -5.531 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.259 -4.368 -6.988 1.00 0.00 H new ATOM 266 N SER A 19 -20.708 2.299 -6.389 1.00 0.00 N ATOM 267 CA SER A 19 -21.178 3.618 -6.007 1.00 0.00 C ATOM 268 C SER A 19 -22.697 3.678 -6.072 1.00 0.00 C ATOM 269 O SER A 19 -23.290 3.634 -7.150 1.00 0.00 O ATOM 270 CB SER A 19 -20.565 4.682 -6.917 1.00 0.00 C ATOM 271 OG SER A 19 -20.923 4.465 -8.270 1.00 0.00 O ATOM 0 H SER A 19 -20.008 2.300 -7.131 1.00 0.00 H new ATOM 0 HA SER A 19 -20.867 3.815 -4.981 1.00 0.00 H new ATOM 0 HB2 SER A 19 -20.901 5.670 -6.603 1.00 0.00 H new ATOM 0 HB3 SER A 19 -19.480 4.668 -6.818 1.00 0.00 H new ATOM 0 HG SER A 19 -21.881 4.268 -8.327 1.00 0.00 H new ATOM 277 N GLN A 20 -23.318 3.769 -4.906 1.00 0.00 N ATOM 278 CA GLN A 20 -24.772 3.824 -4.812 1.00 0.00 C ATOM 279 C GLN A 20 -25.229 5.154 -4.228 1.00 0.00 C ATOM 280 O GLN A 20 -24.451 5.866 -3.594 1.00 0.00 O ATOM 281 CB GLN A 20 -25.291 2.669 -3.952 1.00 0.00 C ATOM 282 CG GLN A 20 -25.258 2.955 -2.459 1.00 0.00 C ATOM 283 CD GLN A 20 -26.623 3.311 -1.901 1.00 0.00 C ATOM 284 OE1 GLN A 20 -26.762 4.257 -1.125 1.00 0.00 O ATOM 285 NE2 GLN A 20 -27.641 2.552 -2.295 1.00 0.00 N ATOM 0 H GLN A 20 -22.837 3.807 -4.007 1.00 0.00 H new ATOM 0 HA GLN A 20 -25.181 3.731 -5.818 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -26.315 2.440 -4.246 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -24.695 1.780 -4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -24.872 2.081 -1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -24.566 3.774 -2.265 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -27.480 1.778 -2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -28.583 2.744 -1.953 1.00 0.00 H new ATOM 294 N PRO A 21 -26.507 5.504 -4.438 1.00 0.00 N ATOM 295 CA PRO A 21 -27.078 6.753 -3.933 1.00 0.00 C ATOM 296 C PRO A 21 -26.692 7.025 -2.483 1.00 0.00 C ATOM 297 O PRO A 21 -27.483 6.803 -1.567 1.00 0.00 O ATOM 298 CB PRO A 21 -28.582 6.513 -4.050 1.00 0.00 C ATOM 299 CG PRO A 21 -28.722 5.580 -5.203 1.00 0.00 C ATOM 300 CD PRO A 21 -27.495 4.705 -5.186 1.00 0.00 C ATOM 0 HA PRO A 21 -26.722 7.622 -4.486 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -28.987 6.078 -3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -29.120 7.444 -4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -29.628 4.981 -5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -28.796 6.129 -6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -27.691 3.750 -4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -27.148 4.482 -6.195 1.00 0.00 H new ATOM 308 N GLY A 22 -25.470 7.508 -2.280 1.00 0.00 N ATOM 309 CA GLY A 22 -25.006 7.804 -0.939 1.00 0.00 C ATOM 310 C GLY A 22 -23.892 6.885 -0.477 1.00 0.00 C ATOM 311 O GLY A 22 -23.616 6.799 0.720 1.00 0.00 O ATOM 0 H GLY A 22 -24.794 7.699 -3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -24.656 8.836 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -25.844 7.726 -0.246 1.00 0.00 H new ATOM 315 N ALA A 23 -23.244 6.198 -1.414 1.00 0.00 N ATOM 316 CA ALA A 23 -22.158 5.295 -1.060 1.00 0.00 C ATOM 317 C ALA A 23 -21.289 4.962 -2.255 1.00 0.00 C ATOM 318 O ALA A 23 -21.660 4.184 -3.133 1.00 0.00 O ATOM 319 CB ALA A 23 -22.708 4.035 -0.416 1.00 0.00 C ATOM 0 H ALA A 23 -23.450 6.249 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.522 5.806 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -21.884 3.370 -0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.259 4.299 0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -23.376 3.531 -1.115 1.00 0.00 H new ATOM 325 N PRO A 24 -20.114 5.589 -2.287 1.00 0.00 N ATOM 326 CA PRO A 24 -19.127 5.451 -3.329 1.00 0.00 C ATOM 327 C PRO A 24 -17.945 4.596 -2.896 1.00 0.00 C ATOM 328 O PRO A 24 -16.912 5.106 -2.465 1.00 0.00 O ATOM 329 CB PRO A 24 -18.716 6.910 -3.500 1.00 0.00 C ATOM 330 CG PRO A 24 -18.898 7.537 -2.143 1.00 0.00 C ATOM 331 CD PRO A 24 -19.639 6.541 -1.294 1.00 0.00 C ATOM 0 HA PRO A 24 -19.491 4.957 -4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.682 6.990 -3.835 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.333 7.407 -4.249 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.933 7.781 -1.698 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.458 8.469 -2.221 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.989 6.071 -0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.460 7.003 -0.746 1.00 0.00 H new ATOM 339 N ILE A 25 -18.131 3.293 -3.000 1.00 0.00 N ATOM 340 CA ILE A 25 -17.135 2.319 -2.625 1.00 0.00 C ATOM 341 C ILE A 25 -15.723 2.703 -3.017 1.00 0.00 C ATOM 342 O ILE A 25 -15.475 3.815 -3.477 1.00 0.00 O ATOM 343 CB ILE A 25 -17.514 0.966 -3.214 1.00 0.00 C ATOM 344 CG1 ILE A 25 -18.814 0.549 -2.579 1.00 0.00 C ATOM 345 CG2 ILE A 25 -16.439 -0.056 -2.922 1.00 0.00 C ATOM 346 CD1 ILE A 25 -18.840 0.917 -1.119 1.00 0.00 C ATOM 0 H ILE A 25 -18.994 2.880 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 25 -17.127 2.270 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 25 -17.618 1.036 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.646 1.029 -3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -18.949 -0.527 -2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -16.725 -1.017 -3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -15.497 0.271 -3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -16.319 -0.160 -1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -19.789 0.606 -0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -18.021 0.416 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -18.729 1.996 -1.014 1.00 0.00 H new ATOM 358 N LEU A 26 -14.781 1.798 -2.742 1.00 0.00 N ATOM 359 CA LEU A 26 -13.380 2.067 -2.973 1.00 0.00 C ATOM 360 C LEU A 26 -12.548 0.828 -3.135 1.00 0.00 C ATOM 361 O LEU A 26 -13.036 -0.264 -3.418 1.00 0.00 O ATOM 362 CB LEU A 26 -12.881 2.802 -1.757 1.00 0.00 C ATOM 363 CG LEU A 26 -14.006 3.331 -0.909 1.00 0.00 C ATOM 364 CD1 LEU A 26 -13.786 3.004 0.553 1.00 0.00 C ATOM 365 CD2 LEU A 26 -14.197 4.823 -1.128 1.00 0.00 C ATOM 0 H LEU A 26 -14.975 0.873 -2.358 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.289 2.632 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.262 2.133 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.245 3.630 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 26 -14.926 2.835 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.614 3.398 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.732 1.923 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.853 3.456 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -15.016 5.180 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.281 5.350 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.432 5.010 -2.176 1.00 0.00 H new ATOM 377 N GLN A 27 -11.267 1.044 -2.926 1.00 0.00 N ATOM 378 CA GLN A 27 -10.277 -0.018 -3.009 1.00 0.00 C ATOM 379 C GLN A 27 -8.850 0.540 -2.983 1.00 0.00 C ATOM 380 O GLN A 27 -8.052 0.274 -3.882 1.00 0.00 O ATOM 381 CB GLN A 27 -10.511 -0.854 -4.267 1.00 0.00 C ATOM 382 CG GLN A 27 -9.576 -2.048 -4.384 1.00 0.00 C ATOM 383 CD GLN A 27 -9.143 -2.326 -5.812 1.00 0.00 C ATOM 384 OE1 GLN A 27 -9.925 -1.853 -6.776 1.00 0.00 O flip ATOM 385 NE2 GLN A 27 -8.117 -2.965 -6.045 1.00 0.00 N flip ATOM 0 H GLN A 27 -10.879 1.958 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.391 -0.658 -2.134 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.542 -1.208 -4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.388 -0.219 -5.144 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.693 -1.872 -3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.072 -2.931 -3.982 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.545 -3.310 -5.274 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.839 -3.149 -7.009 1.00 0.00 H new ATOM 394 N CYS A 28 -8.547 1.306 -1.930 1.00 0.00 N ATOM 395 CA CYS A 28 -7.221 1.910 -1.738 1.00 0.00 C ATOM 396 C CYS A 28 -6.192 1.358 -2.710 1.00 0.00 C ATOM 397 O CYS A 28 -5.744 0.220 -2.570 1.00 0.00 O ATOM 398 CB CYS A 28 -6.736 1.684 -0.305 1.00 0.00 C ATOM 399 SG CYS A 28 -5.203 2.568 0.118 1.00 0.00 S ATOM 0 H CYS A 28 -9.211 1.525 -1.187 1.00 0.00 H new ATOM 0 HA CYS A 28 -7.328 2.978 -1.931 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.521 1.993 0.384 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.579 0.616 -0.151 1.00 0.00 H new ATOM 404 N MET A 29 -5.800 2.175 -3.683 1.00 0.00 N ATOM 405 CA MET A 29 -4.796 1.750 -4.651 1.00 0.00 C ATOM 406 C MET A 29 -3.536 1.318 -3.907 1.00 0.00 C ATOM 407 O MET A 29 -2.792 0.448 -4.357 1.00 0.00 O ATOM 408 CB MET A 29 -4.484 2.871 -5.642 1.00 0.00 C ATOM 409 CG MET A 29 -3.705 2.398 -6.858 1.00 0.00 C ATOM 410 SD MET A 29 -3.245 3.748 -7.961 1.00 0.00 S ATOM 411 CE MET A 29 -3.836 3.114 -9.528 1.00 0.00 C ATOM 0 H MET A 29 -6.156 3.121 -3.821 1.00 0.00 H new ATOM 0 HA MET A 29 -5.184 0.907 -5.223 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.418 3.326 -5.972 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.914 3.648 -5.133 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.804 1.881 -6.528 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.305 1.673 -7.409 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.788 3.901 -10.280 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.213 2.276 -9.840 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.867 2.778 -9.419 1.00 0.00 H new ATOM 421 N GLY A 30 -3.343 1.918 -2.736 1.00 0.00 N ATOM 422 CA GLY A 30 -2.218 1.589 -1.879 1.00 0.00 C ATOM 423 C GLY A 30 -0.854 1.978 -2.424 1.00 0.00 C ATOM 424 O GLY A 30 -0.211 1.201 -3.130 1.00 0.00 O ATOM 0 H GLY A 30 -3.959 2.639 -2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.360 2.079 -0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.225 0.515 -1.694 1.00 0.00 H new ATOM 428 N CYS A 31 -0.405 3.180 -2.069 1.00 0.00 N ATOM 429 CA CYS A 31 0.903 3.685 -2.487 1.00 0.00 C ATOM 430 C CYS A 31 2.029 2.863 -1.874 1.00 0.00 C ATOM 431 O CYS A 31 1.791 1.810 -1.283 1.00 0.00 O ATOM 432 CB CYS A 31 1.058 5.154 -2.070 1.00 0.00 C ATOM 433 SG CYS A 31 1.929 6.199 -3.285 1.00 0.00 S ATOM 0 H CYS A 31 -0.934 3.829 -1.486 1.00 0.00 H new ATOM 0 HA CYS A 31 0.964 3.603 -3.572 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.068 5.574 -1.892 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.596 5.195 -1.123 1.00 0.00 H new ATOM 438 N CYS A 32 3.251 3.363 -2.030 1.00 0.00 N ATOM 439 CA CYS A 32 4.450 2.707 -1.506 1.00 0.00 C ATOM 440 C CYS A 32 5.213 2.004 -2.622 1.00 0.00 C ATOM 441 O CYS A 32 4.841 0.911 -3.049 1.00 0.00 O ATOM 442 CB CYS A 32 4.098 1.705 -0.403 1.00 0.00 C ATOM 443 SG CYS A 32 3.162 2.426 0.983 1.00 0.00 S ATOM 0 H CYS A 32 3.441 4.235 -2.523 1.00 0.00 H new ATOM 0 HA CYS A 32 5.086 3.481 -1.077 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.516 0.892 -0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.019 1.267 -0.017 1.00 0.00 H new ATOM 448 N PHE A 33 6.282 2.640 -3.091 1.00 0.00 N ATOM 449 CA PHE A 33 7.098 2.078 -4.161 1.00 0.00 C ATOM 450 C PHE A 33 8.312 2.955 -4.440 1.00 0.00 C ATOM 451 O PHE A 33 8.475 4.019 -3.843 1.00 0.00 O ATOM 452 CB PHE A 33 6.267 1.929 -5.436 1.00 0.00 C ATOM 453 CG PHE A 33 5.055 2.814 -5.466 1.00 0.00 C ATOM 454 CD1 PHE A 33 5.172 4.163 -5.760 1.00 0.00 C ATOM 455 CD2 PHE A 33 3.799 2.296 -5.197 1.00 0.00 C ATOM 456 CE1 PHE A 33 4.058 4.980 -5.787 1.00 0.00 C ATOM 457 CE2 PHE A 33 2.681 3.107 -5.222 1.00 0.00 C ATOM 458 CZ PHE A 33 2.810 4.451 -5.518 1.00 0.00 C ATOM 0 H PHE A 33 6.603 3.545 -2.747 1.00 0.00 H new ATOM 0 HA PHE A 33 7.446 1.096 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 33 6.894 2.156 -6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.952 0.890 -5.536 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.145 4.581 -5.971 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.692 1.247 -4.965 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.162 6.030 -6.018 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.707 2.691 -5.010 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.937 5.087 -5.539 1.00 0.00 H new ATOM 468 N SER A 34 9.157 2.503 -5.360 1.00 0.00 N ATOM 469 CA SER A 34 10.355 3.246 -5.733 1.00 0.00 C ATOM 470 C SER A 34 11.296 3.422 -4.542 1.00 0.00 C ATOM 471 O SER A 34 12.161 2.582 -4.295 1.00 0.00 O ATOM 472 CB SER A 34 9.972 4.611 -6.305 1.00 0.00 C ATOM 473 OG SER A 34 9.931 4.579 -7.722 1.00 0.00 O ATOM 0 H SER A 34 9.034 1.624 -5.862 1.00 0.00 H new ATOM 0 HA SER A 34 10.881 2.671 -6.495 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.999 4.911 -5.917 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.691 5.361 -5.976 1.00 0.00 H new ATOM 0 HG SER A 34 9.682 5.464 -8.062 1.00 0.00 H new ATOM 479 N ARG A 35 11.130 4.523 -3.811 1.00 0.00 N ATOM 480 CA ARG A 35 11.975 4.803 -2.653 1.00 0.00 C ATOM 481 C ARG A 35 13.430 4.962 -3.083 1.00 0.00 C ATOM 482 O ARG A 35 13.751 4.848 -4.266 1.00 0.00 O ATOM 483 CB ARG A 35 11.857 3.677 -1.622 1.00 0.00 C ATOM 484 CG ARG A 35 11.779 4.165 -0.184 1.00 0.00 C ATOM 485 CD ARG A 35 10.426 3.855 0.440 1.00 0.00 C ATOM 486 NE ARG A 35 10.550 2.997 1.616 1.00 0.00 N ATOM 487 CZ ARG A 35 10.521 1.668 1.569 1.00 0.00 C ATOM 488 NH1 ARG A 35 10.373 1.045 0.407 1.00 0.00 N ATOM 489 NH2 ARG A 35 10.640 0.960 2.684 1.00 0.00 N ATOM 0 H ARG A 35 10.421 5.232 -3.999 1.00 0.00 H new ATOM 0 HA ARG A 35 11.637 5.734 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.968 3.086 -1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 35 12.715 3.013 -1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.568 3.695 0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.957 5.240 -0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.934 4.786 0.721 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.789 3.368 -0.299 1.00 0.00 H new ATOM 0 HE ARG A 35 10.666 3.443 2.526 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.281 1.585 -0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.351 0.026 0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.754 1.434 3.580 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.617 -0.059 2.646 1.00 0.00 H new ATOM 503 N ALA A 36 14.308 5.223 -2.121 1.00 0.00 N ATOM 504 CA ALA A 36 15.725 5.392 -2.414 1.00 0.00 C ATOM 505 C ALA A 36 16.454 6.073 -1.263 1.00 0.00 C ATOM 506 O ALA A 36 15.928 6.996 -0.641 1.00 0.00 O ATOM 507 CB ALA A 36 15.905 6.191 -3.697 1.00 0.00 C ATOM 0 H ALA A 36 14.064 5.322 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 36 16.160 4.401 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.968 6.310 -3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.430 5.663 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.445 7.173 -3.582 1.00 0.00 H new ATOM 513 N TYR A 37 17.671 5.615 -0.993 1.00 0.00 N ATOM 514 CA TYR A 37 18.485 6.181 0.075 1.00 0.00 C ATOM 515 C TYR A 37 17.988 5.746 1.451 1.00 0.00 C ATOM 516 O TYR A 37 17.964 6.541 2.391 1.00 0.00 O ATOM 517 CB TYR A 37 18.495 7.707 -0.021 1.00 0.00 C ATOM 518 CG TYR A 37 19.827 8.269 -0.465 1.00 0.00 C ATOM 519 CD1 TYR A 37 20.828 8.540 0.458 1.00 0.00 C ATOM 520 CD2 TYR A 37 20.084 8.521 -1.807 1.00 0.00 C ATOM 521 CE1 TYR A 37 22.048 9.050 0.057 1.00 0.00 C ATOM 522 CE2 TYR A 37 21.302 9.031 -2.216 1.00 0.00 C ATOM 523 CZ TYR A 37 22.280 9.293 -1.279 1.00 0.00 C ATOM 524 OH TYR A 37 23.495 9.800 -1.681 1.00 0.00 O ATOM 0 H TYR A 37 18.116 4.851 -1.501 1.00 0.00 H new ATOM 0 HA TYR A 37 19.501 5.805 -0.048 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.723 8.025 -0.721 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.237 8.127 0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 37 20.650 8.349 1.506 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.320 8.315 -2.542 1.00 0.00 H new ATOM 0 HE1 TYR A 37 22.816 9.257 0.787 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.487 9.223 -3.263 1.00 0.00 H new ATOM 0 HH TYR A 37 23.497 9.912 -2.655 1.00 0.00 H new ATOM 534 N PRO A 38 17.598 4.470 1.591 1.00 0.00 N ATOM 535 CA PRO A 38 17.114 3.925 2.862 1.00 0.00 C ATOM 536 C PRO A 38 18.252 3.697 3.848 1.00 0.00 C ATOM 537 O PRO A 38 19.248 3.053 3.518 1.00 0.00 O ATOM 538 CB PRO A 38 16.495 2.589 2.452 1.00 0.00 C ATOM 539 CG PRO A 38 17.283 2.178 1.258 1.00 0.00 C ATOM 540 CD PRO A 38 17.608 3.451 0.524 1.00 0.00 C ATOM 0 HA PRO A 38 16.420 4.598 3.366 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.569 1.852 3.252 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.437 2.696 2.214 1.00 0.00 H new ATOM 0 HG2 PRO A 38 18.192 1.653 1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.711 1.498 0.627 1.00 0.00 H new ATOM 0 HD2 PRO A 38 18.578 3.394 0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.870 3.670 -0.248 1.00 0.00 H new ATOM 548 N THR A 39 18.110 4.228 5.057 1.00 0.00 N ATOM 549 CA THR A 39 19.144 4.071 6.070 1.00 0.00 C ATOM 550 C THR A 39 20.523 4.241 5.442 1.00 0.00 C ATOM 551 O THR A 39 21.274 3.277 5.294 1.00 0.00 O ATOM 552 CB THR A 39 19.031 2.696 6.730 1.00 0.00 C ATOM 553 OG1 THR A 39 19.296 1.668 5.791 1.00 0.00 O ATOM 554 CG2 THR A 39 17.666 2.432 7.327 1.00 0.00 C ATOM 0 H THR A 39 17.297 4.766 5.357 1.00 0.00 H new ATOM 0 HA THR A 39 19.008 4.838 6.833 1.00 0.00 H new ATOM 0 HB THR A 39 19.768 2.697 7.533 1.00 0.00 H new ATOM 0 HG1 THR A 39 19.842 2.026 5.060 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.652 1.440 7.779 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.451 3.181 8.089 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.910 2.484 6.544 1.00 0.00 H new ATOM 562 N PRO A 40 20.868 5.479 5.059 1.00 0.00 N ATOM 563 CA PRO A 40 22.152 5.790 4.437 1.00 0.00 C ATOM 564 C PRO A 40 23.306 4.987 5.030 1.00 0.00 C ATOM 565 O PRO A 40 23.515 4.983 6.243 1.00 0.00 O ATOM 566 CB PRO A 40 22.314 7.277 4.737 1.00 0.00 C ATOM 567 CG PRO A 40 20.920 7.812 4.759 1.00 0.00 C ATOM 568 CD PRO A 40 20.022 6.679 5.199 1.00 0.00 C ATOM 0 HA PRO A 40 22.170 5.543 3.376 1.00 0.00 H new ATOM 0 HB2 PRO A 40 22.815 7.436 5.692 1.00 0.00 H new ATOM 0 HB3 PRO A 40 22.916 7.772 3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 40 20.841 8.656 5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.630 8.174 3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 40 19.685 6.812 6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.129 6.613 4.577 1.00 0.00 H new ATOM 576 N LEU A 41 24.052 4.308 4.164 1.00 0.00 N ATOM 577 CA LEU A 41 25.188 3.500 4.597 1.00 0.00 C ATOM 578 C LEU A 41 26.505 4.202 4.278 1.00 0.00 C ATOM 579 O LEU A 41 26.584 4.998 3.342 1.00 0.00 O ATOM 580 CB LEU A 41 25.149 2.127 3.922 1.00 0.00 C ATOM 581 CG LEU A 41 25.912 1.021 4.653 1.00 0.00 C ATOM 582 CD1 LEU A 41 24.984 -0.139 4.979 1.00 0.00 C ATOM 583 CD2 LEU A 41 27.088 0.543 3.814 1.00 0.00 C ATOM 0 H LEU A 41 23.890 4.301 3.157 1.00 0.00 H new ATOM 0 HA LEU A 41 25.120 3.367 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 41 24.108 1.821 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 41 25.556 2.223 2.915 1.00 0.00 H new ATOM 0 HG LEU A 41 26.298 1.427 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 41 25.543 -0.917 5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 41 24.173 0.212 5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 41 24.571 -0.545 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 41 27.620 -0.244 4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 41 26.723 0.153 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 41 27.765 1.377 3.628 1.00 0.00 H new ATOM 595 N ARG A 42 27.535 3.905 5.063 1.00 0.00 N ATOM 596 CA ARG A 42 28.846 4.513 4.865 1.00 0.00 C ATOM 597 C ARG A 42 29.714 3.663 3.942 1.00 0.00 C ATOM 598 O ARG A 42 29.436 2.484 3.722 1.00 0.00 O ATOM 599 CB ARG A 42 29.550 4.703 6.209 1.00 0.00 C ATOM 600 CG ARG A 42 28.706 5.436 7.239 1.00 0.00 C ATOM 601 CD ARG A 42 29.098 6.901 7.338 1.00 0.00 C ATOM 602 NE ARG A 42 30.540 7.089 7.210 1.00 0.00 N ATOM 603 CZ ARG A 42 31.380 7.076 8.241 1.00 0.00 C ATOM 604 NH1 ARG A 42 30.921 6.900 9.473 1.00 0.00 N ATOM 605 NH2 ARG A 42 32.681 7.240 8.041 1.00 0.00 N ATOM 0 H ARG A 42 27.488 3.248 5.842 1.00 0.00 H new ATOM 0 HA ARG A 42 28.697 5.486 4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.826 3.726 6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.476 5.256 6.050 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.653 5.357 6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 42 28.823 4.960 8.213 1.00 0.00 H new ATOM 0 HD2 ARG A 42 28.588 7.467 6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 42 28.763 7.302 8.294 1.00 0.00 H new ATOM 0 HE ARG A 42 30.925 7.239 6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 42 29.921 6.774 9.632 1.00 0.00 H new ATOM 0 HH12 ARG A 42 31.568 6.890 10.262 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.038 7.376 7.095 1.00 0.00 H new ATOM 0 HH22 ARG A 42 33.324 7.230 8.833 1.00 0.00 H new ATOM 619 N SER A 43 30.768 4.273 3.407 1.00 0.00 N ATOM 620 CA SER A 43 31.683 3.579 2.509 1.00 0.00 C ATOM 621 C SER A 43 31.837 2.116 2.908 1.00 0.00 C ATOM 622 O SER A 43 32.522 1.798 3.880 1.00 0.00 O ATOM 623 CB SER A 43 33.051 4.262 2.518 1.00 0.00 C ATOM 624 OG SER A 43 34.096 3.309 2.616 1.00 0.00 O ATOM 0 H SER A 43 31.009 5.249 3.581 1.00 0.00 H new ATOM 0 HA SER A 43 31.264 3.621 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 43 33.174 4.849 1.608 1.00 0.00 H new ATOM 0 HB3 SER A 43 33.109 4.957 3.356 1.00 0.00 H new ATOM 0 HG SER A 43 33.928 2.716 3.378 1.00 0.00 H new ATOM 630 N LYS A 44 31.202 1.227 2.150 1.00 0.00 N ATOM 631 CA LYS A 44 31.277 -0.202 2.428 1.00 0.00 C ATOM 632 C LYS A 44 30.940 -1.022 1.186 1.00 0.00 C ATOM 633 O LYS A 44 29.808 -1.476 1.014 1.00 0.00 O ATOM 634 CB LYS A 44 30.334 -0.572 3.574 1.00 0.00 C ATOM 635 CG LYS A 44 31.057 -0.900 4.870 1.00 0.00 C ATOM 636 CD LYS A 44 30.665 0.057 5.983 1.00 0.00 C ATOM 637 CE LYS A 44 30.878 -0.565 7.354 1.00 0.00 C ATOM 638 NZ LYS A 44 32.324 -0.720 7.678 1.00 0.00 N ATOM 0 H LYS A 44 30.631 1.471 1.341 1.00 0.00 H new ATOM 0 HA LYS A 44 32.301 -0.434 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 44 29.646 0.255 3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 44 29.731 -1.430 3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 44 30.825 -1.922 5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 44 32.134 -0.852 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 44 31.253 0.971 5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.618 0.340 5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 44 30.401 0.056 8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.392 -1.540 7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 32.425 -1.147 8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 32.775 -1.334 6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 32.783 0.213 7.670 1.00 0.00 H new ATOM 652 N LYS A 45 31.935 -1.215 0.327 1.00 0.00 N ATOM 653 CA LYS A 45 31.752 -1.987 -0.896 1.00 0.00 C ATOM 654 C LYS A 45 32.935 -2.925 -1.116 1.00 0.00 C ATOM 655 O LYS A 45 33.788 -2.669 -1.965 1.00 0.00 O ATOM 656 CB LYS A 45 31.593 -1.057 -2.100 1.00 0.00 C ATOM 657 CG LYS A 45 30.985 -1.736 -3.315 1.00 0.00 C ATOM 658 CD LYS A 45 31.492 -1.122 -4.611 1.00 0.00 C ATOM 659 CE LYS A 45 32.531 -2.009 -5.277 1.00 0.00 C ATOM 660 NZ LYS A 45 33.032 -1.417 -6.548 1.00 0.00 N ATOM 0 H LYS A 45 32.878 -0.847 0.456 1.00 0.00 H new ATOM 0 HA LYS A 45 30.845 -2.582 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 45 30.967 -0.211 -1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 45 32.569 -0.655 -2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 45 31.225 -2.799 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 45 29.899 -1.654 -3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 45 30.656 -0.965 -5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 45 31.925 -0.143 -4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 45 33.367 -2.165 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 45 32.097 -2.988 -5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 33.912 -1.895 -6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 32.317 -1.539 -7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 33.218 -0.403 -6.409 1.00 0.00 H new ATOM 674 N THR A 46 32.977 -4.005 -0.336 1.00 0.00 N ATOM 675 CA THR A 46 34.053 -4.995 -0.423 1.00 0.00 C ATOM 676 C THR A 46 35.181 -4.527 -1.340 1.00 0.00 C ATOM 677 O THR A 46 36.225 -4.074 -0.872 1.00 0.00 O ATOM 678 CB THR A 46 33.505 -6.337 -0.908 1.00 0.00 C ATOM 679 OG1 THR A 46 32.143 -6.480 -0.550 1.00 0.00 O ATOM 680 CG2 THR A 46 34.254 -7.526 -0.346 1.00 0.00 C ATOM 0 H THR A 46 32.272 -4.218 0.370 1.00 0.00 H new ATOM 0 HA THR A 46 34.466 -5.117 0.578 1.00 0.00 H new ATOM 0 HB THR A 46 33.630 -6.327 -1.991 1.00 0.00 H new ATOM 0 HG1 THR A 46 32.068 -6.569 0.423 1.00 0.00 H new ATOM 0 HG21 THR A 46 33.815 -8.447 -0.729 1.00 0.00 H new ATOM 0 HG22 THR A 46 35.301 -7.471 -0.645 1.00 0.00 H new ATOM 0 HG23 THR A 46 34.187 -7.517 0.742 1.00 0.00 H new ATOM 688 N MET A 47 34.965 -4.634 -2.648 1.00 0.00 N ATOM 689 CA MET A 47 35.969 -4.215 -3.619 1.00 0.00 C ATOM 690 C MET A 47 35.369 -4.107 -5.020 1.00 0.00 C ATOM 691 O MET A 47 35.727 -3.218 -5.791 1.00 0.00 O ATOM 692 CB MET A 47 37.146 -5.195 -3.622 1.00 0.00 C ATOM 693 CG MET A 47 38.457 -4.595 -4.115 1.00 0.00 C ATOM 694 SD MET A 47 38.565 -2.812 -3.854 1.00 0.00 S ATOM 695 CE MET A 47 39.497 -2.741 -2.327 1.00 0.00 C ATOM 0 H MET A 47 34.108 -5.005 -3.058 1.00 0.00 H new ATOM 0 HA MET A 47 36.329 -3.228 -3.328 1.00 0.00 H new ATOM 0 HB2 MET A 47 37.291 -5.575 -2.611 1.00 0.00 H new ATOM 0 HB3 MET A 47 36.892 -6.049 -4.250 1.00 0.00 H new ATOM 0 HG2 MET A 47 39.287 -5.082 -3.603 1.00 0.00 H new ATOM 0 HG3 MET A 47 38.569 -4.808 -5.178 1.00 0.00 H new ATOM 0 HE1 MET A 47 39.643 -1.700 -2.038 1.00 0.00 H new ATOM 0 HE2 MET A 47 38.949 -3.262 -1.542 1.00 0.00 H new ATOM 0 HE3 MET A 47 40.467 -3.218 -2.470 1.00 0.00 H new ATOM 705 N LEU A 48 34.452 -5.015 -5.339 1.00 0.00 N ATOM 706 CA LEU A 48 33.798 -5.019 -6.644 1.00 0.00 C ATOM 707 C LEU A 48 32.628 -5.995 -6.656 1.00 0.00 C ATOM 708 O LEU A 48 32.488 -6.807 -7.571 1.00 0.00 O ATOM 709 CB LEU A 48 34.797 -5.381 -7.745 1.00 0.00 C ATOM 710 CG LEU A 48 34.855 -4.393 -8.912 1.00 0.00 C ATOM 711 CD1 LEU A 48 36.212 -3.708 -8.966 1.00 0.00 C ATOM 712 CD2 LEU A 48 34.560 -5.099 -10.227 1.00 0.00 C ATOM 0 H LEU A 48 34.144 -5.758 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 48 33.416 -4.016 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 48 35.790 -5.458 -7.303 1.00 0.00 H new ATOM 0 HB3 LEU A 48 34.544 -6.367 -8.135 1.00 0.00 H new ATOM 0 HG LEU A 48 34.092 -3.631 -8.753 1.00 0.00 H new ATOM 0 HD11 LEU A 48 36.234 -3.009 -9.802 1.00 0.00 H new ATOM 0 HD12 LEU A 48 36.383 -3.166 -8.036 1.00 0.00 H new ATOM 0 HD13 LEU A 48 36.993 -4.457 -9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 48 34.606 -4.380 -11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 48 35.298 -5.884 -10.392 1.00 0.00 H new ATOM 0 HD23 LEU A 48 33.564 -5.540 -10.188 1.00 0.00 H new ATOM 724 N VAL A 49 31.788 -5.907 -5.631 1.00 0.00 N ATOM 725 CA VAL A 49 30.624 -6.775 -5.515 1.00 0.00 C ATOM 726 C VAL A 49 29.605 -6.186 -4.547 1.00 0.00 C ATOM 727 O VAL A 49 29.969 -5.517 -3.579 1.00 0.00 O ATOM 728 CB VAL A 49 31.016 -8.185 -5.037 1.00 0.00 C ATOM 729 CG1 VAL A 49 31.898 -8.102 -3.801 1.00 0.00 C ATOM 730 CG2 VAL A 49 29.774 -9.019 -4.761 1.00 0.00 C ATOM 0 H VAL A 49 31.893 -5.240 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 49 30.182 -6.851 -6.509 1.00 0.00 H new ATOM 0 HB VAL A 49 31.584 -8.674 -5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 49 32.166 -9.108 -3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 49 32.804 -7.544 -4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 49 31.358 -7.595 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 49 30.070 -10.012 -4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 49 29.176 -8.537 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 49 29.184 -9.106 -5.673 1.00 0.00 H new ATOM 740 N GLN A 50 28.327 -6.433 -4.814 1.00 0.00 N ATOM 741 CA GLN A 50 27.260 -5.920 -3.964 1.00 0.00 C ATOM 742 C GLN A 50 25.908 -6.501 -4.369 1.00 0.00 C ATOM 743 O GLN A 50 25.307 -6.072 -5.354 1.00 0.00 O ATOM 744 CB GLN A 50 27.214 -4.393 -4.043 1.00 0.00 C ATOM 745 CG GLN A 50 27.383 -3.704 -2.699 1.00 0.00 C ATOM 746 CD GLN A 50 26.124 -2.988 -2.254 1.00 0.00 C ATOM 747 OE1 GLN A 50 24.972 -3.567 -2.569 1.00 0.00 O flip ATOM 748 NE2 GLN A 50 26.185 -1.926 -1.634 1.00 0.00 N flip ATOM 0 H GLN A 50 28.006 -6.984 -5.610 1.00 0.00 H new ATOM 0 HA GLN A 50 27.469 -6.223 -2.938 1.00 0.00 H new ATOM 0 HB2 GLN A 50 27.998 -4.050 -4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 50 26.262 -4.090 -4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 50 27.662 -4.443 -1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 50 28.202 -2.988 -2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 50 27.092 -1.516 -1.413 1.00 0.00 H new ATOM 0 HE22 GLN A 50 25.328 -1.456 -1.342 1.00 0.00 H new ATOM 757 N LYS A 51 25.431 -7.474 -3.598 1.00 0.00 N ATOM 758 CA LYS A 51 24.147 -8.109 -3.873 1.00 0.00 C ATOM 759 C LYS A 51 23.567 -8.732 -2.607 1.00 0.00 C ATOM 760 O LYS A 51 23.979 -9.816 -2.192 1.00 0.00 O ATOM 761 CB LYS A 51 24.300 -9.178 -4.956 1.00 0.00 C ATOM 762 CG LYS A 51 25.138 -10.369 -4.521 1.00 0.00 C ATOM 763 CD LYS A 51 24.280 -11.604 -4.295 1.00 0.00 C ATOM 764 CE LYS A 51 23.728 -12.146 -5.604 1.00 0.00 C ATOM 765 NZ LYS A 51 24.342 -13.454 -5.968 1.00 0.00 N ATOM 0 H LYS A 51 25.915 -7.840 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 51 23.461 -7.340 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 51 23.311 -9.529 -5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.755 -8.727 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 51 25.891 -10.582 -5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.672 -10.123 -3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 51 24.872 -12.375 -3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.456 -11.358 -3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.647 -12.263 -5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 51 23.911 -11.425 -6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 23.939 -13.789 -6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 25.370 -13.338 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 24.146 -14.150 -5.220 1.00 0.00 H new ATOM 779 N ASN A 52 22.612 -8.039 -1.997 1.00 0.00 N ATOM 780 CA ASN A 52 21.976 -8.521 -0.776 1.00 0.00 C ATOM 781 C ASN A 52 20.503 -8.832 -1.013 1.00 0.00 C ATOM 782 O ASN A 52 19.913 -8.388 -1.998 1.00 0.00 O ATOM 783 CB ASN A 52 22.116 -7.483 0.338 1.00 0.00 C ATOM 784 CG ASN A 52 23.563 -7.146 0.633 1.00 0.00 C ATOM 785 OD1 ASN A 52 24.476 -7.813 0.145 1.00 0.00 O ATOM 786 ND2 ASN A 52 23.775 -6.104 1.432 1.00 0.00 N ATOM 0 H ASN A 52 22.261 -7.141 -2.328 1.00 0.00 H new ATOM 0 HA ASN A 52 22.477 -9.441 -0.474 1.00 0.00 H new ATOM 0 HB2 ASN A 52 21.585 -6.575 0.054 1.00 0.00 H new ATOM 0 HB3 ASN A 52 21.641 -7.860 1.244 1.00 0.00 H new ATOM 0 HD22 ASN A 52 22.984 -5.583 1.811 1.00 0.00 H new ATOM 791 N VAL A 53 19.914 -9.597 -0.099 1.00 0.00 N ATOM 792 CA VAL A 53 18.510 -9.967 -0.202 1.00 0.00 C ATOM 793 C VAL A 53 17.615 -8.879 0.382 1.00 0.00 C ATOM 794 O VAL A 53 18.077 -8.015 1.127 1.00 0.00 O ATOM 795 CB VAL A 53 18.226 -11.301 0.516 1.00 0.00 C ATOM 796 CG1 VAL A 53 19.370 -12.277 0.295 1.00 0.00 C ATOM 797 CG2 VAL A 53 17.989 -11.078 2.003 1.00 0.00 C ATOM 0 H VAL A 53 20.390 -9.972 0.722 1.00 0.00 H new ATOM 0 HA VAL A 53 18.287 -10.085 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 53 17.319 -11.731 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 53 19.153 -13.214 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 53 19.485 -12.467 -0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 53 20.293 -11.852 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 53 17.791 -12.034 2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 53 18.873 -10.622 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.133 -10.418 2.140 1.00 0.00 H new ATOM 807 N THR A 54 16.333 -8.927 0.039 1.00 0.00 N ATOM 808 CA THR A 54 15.375 -7.944 0.531 1.00 0.00 C ATOM 809 C THR A 54 14.214 -8.626 1.245 1.00 0.00 C ATOM 810 O THR A 54 13.778 -9.708 0.851 1.00 0.00 O ATOM 811 CB THR A 54 14.848 -7.093 -0.625 1.00 0.00 C ATOM 812 OG1 THR A 54 13.722 -6.335 -0.218 1.00 0.00 O ATOM 813 CG2 THR A 54 14.439 -7.909 -1.831 1.00 0.00 C ATOM 0 H THR A 54 15.933 -9.635 -0.577 1.00 0.00 H new ATOM 0 HA THR A 54 15.888 -7.299 1.244 1.00 0.00 H new ATOM 0 HB THR A 54 15.678 -6.446 -0.908 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.401 -5.796 -0.971 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.075 -7.244 -2.614 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.299 -8.468 -2.201 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.648 -8.604 -1.549 1.00 0.00 H new ATOM 821 N SER A 55 13.718 -7.984 2.297 1.00 0.00 N ATOM 822 CA SER A 55 12.605 -8.525 3.069 1.00 0.00 C ATOM 823 C SER A 55 11.618 -7.422 3.436 1.00 0.00 C ATOM 824 O SER A 55 11.207 -7.299 4.589 1.00 0.00 O ATOM 825 CB SER A 55 13.122 -9.212 4.335 1.00 0.00 C ATOM 826 OG SER A 55 12.422 -10.419 4.584 1.00 0.00 O ATOM 0 H SER A 55 14.069 -7.088 2.635 1.00 0.00 H new ATOM 0 HA SER A 55 12.087 -9.261 2.454 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.187 -9.421 4.230 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.011 -8.541 5.187 1.00 0.00 H new ATOM 0 HG SER A 55 12.773 -10.839 5.397 1.00 0.00 H new ATOM 832 N GLU A 56 11.242 -6.619 2.444 1.00 0.00 N ATOM 833 CA GLU A 56 10.304 -5.523 2.656 1.00 0.00 C ATOM 834 C GLU A 56 9.226 -5.519 1.575 1.00 0.00 C ATOM 835 O GLU A 56 9.507 -5.250 0.407 1.00 0.00 O ATOM 836 CB GLU A 56 11.045 -4.185 2.659 1.00 0.00 C ATOM 837 CG GLU A 56 12.271 -4.169 1.761 1.00 0.00 C ATOM 838 CD GLU A 56 13.116 -2.924 1.947 1.00 0.00 C ATOM 839 OE1 GLU A 56 13.073 -2.336 3.048 1.00 0.00 O ATOM 840 OE2 GLU A 56 13.822 -2.538 0.991 1.00 0.00 O ATOM 0 H GLU A 56 11.574 -6.708 1.484 1.00 0.00 H new ATOM 0 HA GLU A 56 9.824 -5.666 3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.361 -3.399 2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.348 -3.949 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.879 -5.050 1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.955 -4.236 0.720 1.00 0.00 H new ATOM 847 N SER A 57 7.994 -5.823 1.969 1.00 0.00 N ATOM 848 CA SER A 57 6.881 -5.858 1.029 1.00 0.00 C ATOM 849 C SER A 57 5.682 -5.080 1.566 1.00 0.00 C ATOM 850 O SER A 57 4.537 -5.376 1.226 1.00 0.00 O ATOM 851 CB SER A 57 6.480 -7.306 0.741 1.00 0.00 C ATOM 852 OG SER A 57 7.156 -7.806 -0.400 1.00 0.00 O ATOM 0 H SER A 57 7.742 -6.048 2.931 1.00 0.00 H new ATOM 0 HA SER A 57 7.206 -5.385 0.102 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.710 -7.929 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.403 -7.364 0.584 1.00 0.00 H new ATOM 0 HG SER A 57 6.883 -8.733 -0.561 1.00 0.00 H new ATOM 858 N THR A 58 5.953 -4.085 2.405 1.00 0.00 N ATOM 859 CA THR A 58 4.893 -3.266 2.986 1.00 0.00 C ATOM 860 C THR A 58 3.869 -2.878 1.923 1.00 0.00 C ATOM 861 O THR A 58 4.124 -3.014 0.726 1.00 0.00 O ATOM 862 CB THR A 58 5.482 -2.010 3.628 1.00 0.00 C ATOM 863 OG1 THR A 58 6.838 -2.217 3.979 1.00 0.00 O ATOM 864 CG2 THR A 58 4.746 -1.573 4.877 1.00 0.00 C ATOM 0 H THR A 58 6.895 -3.826 2.698 1.00 0.00 H new ATOM 0 HA THR A 58 4.391 -3.853 3.755 1.00 0.00 H new ATOM 0 HB THR A 58 5.383 -1.227 2.876 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.198 -1.402 4.387 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.216 -0.676 5.281 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.706 -1.358 4.630 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.785 -2.370 5.620 1.00 0.00 H new ATOM 872 N CYS A 59 2.711 -2.395 2.366 1.00 0.00 N ATOM 873 CA CYS A 59 1.654 -1.990 1.444 1.00 0.00 C ATOM 874 C CYS A 59 0.478 -1.358 2.183 1.00 0.00 C ATOM 875 O CYS A 59 0.336 -1.512 3.397 1.00 0.00 O ATOM 876 CB CYS A 59 1.176 -3.192 0.625 1.00 0.00 C ATOM 877 SG CYS A 59 -0.264 -4.055 1.334 1.00 0.00 S ATOM 0 H CYS A 59 2.482 -2.275 3.353 1.00 0.00 H new ATOM 0 HA CYS A 59 2.069 -1.239 0.772 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.924 -2.855 -0.381 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.998 -3.901 0.527 1.00 0.00 H new ATOM 882 N CYS A 60 -0.360 -0.642 1.437 1.00 0.00 N ATOM 883 CA CYS A 60 -1.526 0.027 2.007 1.00 0.00 C ATOM 884 C CYS A 60 -2.693 -0.934 2.191 1.00 0.00 C ATOM 885 O CYS A 60 -3.407 -1.248 1.239 1.00 0.00 O ATOM 886 CB CYS A 60 -1.970 1.179 1.109 1.00 0.00 C ATOM 887 SG CYS A 60 -1.869 2.824 1.887 1.00 0.00 S ATOM 0 H CYS A 60 -0.252 -0.510 0.431 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.231 0.408 2.985 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.356 1.179 0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.998 1.002 0.794 1.00 0.00 H new ATOM 892 N VAL A 61 -2.897 -1.374 3.423 1.00 0.00 N ATOM 893 CA VAL A 61 -3.995 -2.272 3.739 1.00 0.00 C ATOM 894 C VAL A 61 -5.051 -1.523 4.542 1.00 0.00 C ATOM 895 O VAL A 61 -5.122 -1.654 5.764 1.00 0.00 O ATOM 896 CB VAL A 61 -3.511 -3.499 4.533 1.00 0.00 C ATOM 897 CG1 VAL A 61 -2.812 -3.068 5.813 1.00 0.00 C ATOM 898 CG2 VAL A 61 -4.673 -4.433 4.837 1.00 0.00 C ATOM 0 H VAL A 61 -2.315 -1.123 4.222 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.423 -2.627 2.802 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.791 -4.042 3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.478 -3.950 6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.952 -2.446 5.566 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.505 -2.499 6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.310 -5.294 5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.421 -3.903 5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.121 -4.772 3.903 1.00 0.00 H new ATOM 908 N ALA A 62 -5.853 -0.718 3.839 1.00 0.00 N ATOM 909 CA ALA A 62 -6.900 0.088 4.467 1.00 0.00 C ATOM 910 C ALA A 62 -6.872 -0.006 5.987 1.00 0.00 C ATOM 911 O ALA A 62 -7.193 -1.046 6.563 1.00 0.00 O ATOM 912 CB ALA A 62 -8.266 -0.310 3.948 1.00 0.00 C ATOM 0 H ALA A 62 -5.795 -0.608 2.827 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.701 1.126 4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.030 0.302 4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.304 -0.158 2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.449 -1.361 4.173 1.00 0.00 H new ATOM 918 N LYS A 63 -6.508 1.096 6.629 1.00 0.00 N ATOM 919 CA LYS A 63 -6.460 1.156 8.076 1.00 0.00 C ATOM 920 C LYS A 63 -7.830 0.849 8.640 1.00 0.00 C ATOM 921 O LYS A 63 -7.967 0.186 9.667 1.00 0.00 O ATOM 922 CB LYS A 63 -6.027 2.543 8.532 1.00 0.00 C ATOM 923 CG LYS A 63 -5.641 2.597 9.998 1.00 0.00 C ATOM 924 CD LYS A 63 -5.828 3.990 10.575 1.00 0.00 C ATOM 925 CE LYS A 63 -4.729 4.334 11.568 1.00 0.00 C ATOM 926 NZ LYS A 63 -4.147 5.679 11.309 1.00 0.00 N ATOM 0 H LYS A 63 -6.241 1.963 6.163 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.739 0.422 8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.180 2.869 7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.838 3.248 8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.246 1.886 10.560 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.601 2.292 10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.832 4.722 9.767 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.798 4.054 11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.132 4.302 12.580 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.942 3.582 11.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.402 5.875 12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.740 5.703 10.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.892 6.400 11.386 1.00 0.00 H new ATOM 940 N SER A 64 -8.843 1.338 7.942 1.00 0.00 N ATOM 941 CA SER A 64 -10.216 1.122 8.347 1.00 0.00 C ATOM 942 C SER A 64 -11.103 0.956 7.127 1.00 0.00 C ATOM 943 O SER A 64 -11.329 1.900 6.373 1.00 0.00 O ATOM 944 CB SER A 64 -10.721 2.274 9.213 1.00 0.00 C ATOM 945 OG SER A 64 -10.062 2.298 10.468 1.00 0.00 O ATOM 0 H SER A 64 -8.736 1.888 7.090 1.00 0.00 H new ATOM 0 HA SER A 64 -10.254 0.209 8.941 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.559 3.220 8.696 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.796 2.174 9.365 1.00 0.00 H new ATOM 0 HG SER A 64 -10.403 3.046 11.002 1.00 0.00 H new ATOM 951 N TYR A 65 -11.586 -0.258 6.939 1.00 0.00 N ATOM 952 CA TYR A 65 -12.439 -0.586 5.809 1.00 0.00 C ATOM 953 C TYR A 65 -13.903 -0.513 6.189 1.00 0.00 C ATOM 954 O TYR A 65 -14.261 -0.609 7.362 1.00 0.00 O ATOM 955 CB TYR A 65 -12.132 -2.004 5.336 1.00 0.00 C ATOM 956 CG TYR A 65 -11.883 -2.965 6.476 1.00 0.00 C ATOM 957 CD1 TYR A 65 -12.942 -3.577 7.133 1.00 0.00 C ATOM 958 CD2 TYR A 65 -10.592 -3.251 6.901 1.00 0.00 C ATOM 959 CE1 TYR A 65 -12.722 -4.449 8.182 1.00 0.00 C ATOM 960 CE2 TYR A 65 -10.363 -4.123 7.948 1.00 0.00 C ATOM 961 CZ TYR A 65 -11.430 -4.719 8.586 1.00 0.00 C ATOM 962 OH TYR A 65 -11.207 -5.586 9.631 1.00 0.00 O ATOM 0 H TYR A 65 -11.400 -1.043 7.563 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.242 0.136 5.017 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.965 -2.369 4.735 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.256 -1.983 4.687 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.954 -3.368 6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.754 -2.784 6.405 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -13.556 -4.917 8.683 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.353 -4.337 8.265 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.243 -5.668 9.788 1.00 0.00 H new ATOM 972 N ASN A 66 -14.748 -0.400 5.180 1.00 0.00 N ATOM 973 CA ASN A 66 -16.181 -0.382 5.400 1.00 0.00 C ATOM 974 C ASN A 66 -16.796 -1.373 4.453 1.00 0.00 C ATOM 975 O ASN A 66 -17.940 -1.251 4.020 1.00 0.00 O ATOM 976 CB ASN A 66 -16.764 1.008 5.195 1.00 0.00 C ATOM 977 CG ASN A 66 -17.448 1.541 6.437 1.00 0.00 C ATOM 978 OD1 ASN A 66 -17.095 2.603 6.948 1.00 0.00 O ATOM 979 ND2 ASN A 66 -18.435 0.803 6.928 1.00 0.00 N ATOM 0 H ASN A 66 -14.467 -0.320 4.203 1.00 0.00 H new ATOM 0 HA ASN A 66 -16.401 -0.654 6.432 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.968 1.692 4.901 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.480 0.980 4.374 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -18.935 1.110 7.762 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -18.694 -0.071 6.471 1.00 0.00 H new ATOM 986 N ARG A 67 -15.968 -2.347 4.147 1.00 0.00 N ATOM 987 CA ARG A 67 -16.296 -3.432 3.241 1.00 0.00 C ATOM 988 C ARG A 67 -17.763 -3.420 2.858 1.00 0.00 C ATOM 989 O ARG A 67 -18.650 -3.417 3.712 1.00 0.00 O ATOM 990 CB ARG A 67 -15.920 -4.766 3.867 1.00 0.00 C ATOM 991 CG ARG A 67 -15.219 -5.711 2.907 1.00 0.00 C ATOM 992 CD ARG A 67 -16.152 -6.812 2.427 1.00 0.00 C ATOM 993 NE ARG A 67 -15.621 -8.141 2.719 1.00 0.00 N ATOM 994 CZ ARG A 67 -15.498 -8.631 3.949 1.00 0.00 C ATOM 995 NH1 ARG A 67 -15.860 -7.901 4.995 1.00 0.00 N ATOM 996 NH2 ARG A 67 -15.007 -9.848 4.135 1.00 0.00 N ATOM 0 H ARG A 67 -15.024 -2.411 4.529 1.00 0.00 H new ATOM 0 HA ARG A 67 -15.719 -3.290 2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.272 -4.586 4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -16.822 -5.248 4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.846 -5.150 2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.354 -6.155 3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -17.125 -6.697 2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -16.310 -6.712 1.353 1.00 0.00 H new ATOM 0 HE ARG A 67 -15.328 -8.726 1.936 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -16.234 -6.962 4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -15.765 -8.278 5.938 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.722 -10.411 3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.914 -10.221 5.080 1.00 0.00 H new ATOM 1010 N VAL A 68 -17.998 -3.413 1.562 1.00 0.00 N ATOM 1011 CA VAL A 68 -19.348 -3.400 1.025 1.00 0.00 C ATOM 1012 C VAL A 68 -19.499 -4.439 -0.069 1.00 0.00 C ATOM 1013 O VAL A 68 -20.048 -4.156 -1.134 1.00 0.00 O ATOM 1014 CB VAL A 68 -19.719 -2.013 0.455 1.00 0.00 C ATOM 1015 CG1 VAL A 68 -19.325 -0.901 1.417 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -19.063 -1.792 -0.902 1.00 0.00 C ATOM 0 H VAL A 68 -17.265 -3.416 0.853 1.00 0.00 H new ATOM 0 HA VAL A 68 -20.022 -3.633 1.849 1.00 0.00 H new ATOM 0 HB VAL A 68 -20.801 -1.987 0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -19.598 0.064 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -19.846 -1.038 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -18.249 -0.931 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.339 -0.809 -1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.980 -1.849 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -19.401 -2.559 -1.599 1.00 0.00 H new ATOM 1026 N THR A 69 -19.001 -5.641 0.197 1.00 0.00 N ATOM 1027 CA THR A 69 -19.070 -6.725 -0.773 1.00 0.00 C ATOM 1028 C THR A 69 -20.166 -6.454 -1.785 1.00 0.00 C ATOM 1029 O THR A 69 -21.337 -6.312 -1.434 1.00 0.00 O ATOM 1030 CB THR A 69 -19.308 -8.070 -0.097 1.00 0.00 C ATOM 1031 OG1 THR A 69 -18.170 -8.466 0.650 1.00 0.00 O ATOM 1032 CG2 THR A 69 -19.619 -9.172 -1.087 1.00 0.00 C ATOM 0 H THR A 69 -18.546 -5.888 1.076 1.00 0.00 H new ATOM 0 HA THR A 69 -18.108 -6.772 -1.284 1.00 0.00 H new ATOM 0 HB THR A 69 -20.169 -7.927 0.555 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.390 -8.510 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 69 -19.780 -10.108 -0.551 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.518 -8.915 -1.647 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.783 -9.288 -1.777 1.00 0.00 H new ATOM 1040 N VAL A 70 -19.769 -6.353 -3.036 1.00 0.00 N ATOM 1041 CA VAL A 70 -20.700 -6.062 -4.107 1.00 0.00 C ATOM 1042 C VAL A 70 -20.657 -7.116 -5.194 1.00 0.00 C ATOM 1043 O VAL A 70 -19.980 -8.137 -5.075 1.00 0.00 O ATOM 1044 CB VAL A 70 -20.406 -4.691 -4.740 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -21.672 -3.855 -4.816 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -19.322 -3.951 -3.964 1.00 0.00 C ATOM 0 H VAL A 70 -18.802 -6.469 -3.338 1.00 0.00 H new ATOM 0 HA VAL A 70 -21.693 -6.056 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.041 -4.859 -5.753 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -21.444 -2.889 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -22.414 -4.373 -5.424 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -22.068 -3.703 -3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -19.134 -2.985 -4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -19.651 -3.797 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.405 -4.541 -3.967 1.00 0.00 H new ATOM 1056 N MET A 71 -21.394 -6.847 -6.255 1.00 0.00 N ATOM 1057 CA MET A 71 -21.471 -7.745 -7.389 1.00 0.00 C ATOM 1058 C MET A 71 -21.627 -9.191 -6.947 1.00 0.00 C ATOM 1059 O MET A 71 -22.441 -9.503 -6.077 1.00 0.00 O ATOM 1060 CB MET A 71 -20.238 -7.586 -8.271 1.00 0.00 C ATOM 1061 CG MET A 71 -20.305 -6.351 -9.131 1.00 0.00 C ATOM 1062 SD MET A 71 -19.550 -6.583 -10.752 1.00 0.00 S ATOM 1063 CE MET A 71 -20.938 -7.221 -11.689 1.00 0.00 C ATOM 0 H MET A 71 -21.955 -6.001 -6.354 1.00 0.00 H new ATOM 0 HA MET A 71 -22.357 -7.480 -7.966 1.00 0.00 H new ATOM 0 HB2 MET A 71 -19.348 -7.541 -7.643 1.00 0.00 H new ATOM 0 HB3 MET A 71 -20.134 -8.464 -8.908 1.00 0.00 H new ATOM 0 HG2 MET A 71 -21.348 -6.060 -9.260 1.00 0.00 H new ATOM 0 HG3 MET A 71 -19.806 -5.529 -8.618 1.00 0.00 H new ATOM 0 HE1 MET A 71 -20.626 -7.414 -12.715 1.00 0.00 H new ATOM 0 HE2 MET A 71 -21.287 -8.149 -11.236 1.00 0.00 H new ATOM 0 HE3 MET A 71 -21.746 -6.489 -11.687 1.00 0.00 H new ATOM 1073 N GLY A 72 -20.850 -10.072 -7.560 1.00 0.00 N ATOM 1074 CA GLY A 72 -20.923 -11.472 -7.230 1.00 0.00 C ATOM 1075 C GLY A 72 -20.267 -11.801 -5.901 1.00 0.00 C ATOM 1076 O GLY A 72 -20.165 -12.969 -5.527 1.00 0.00 O ATOM 0 H GLY A 72 -20.169 -9.837 -8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -21.968 -11.779 -7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -20.444 -12.052 -8.019 1.00 0.00 H new ATOM 1080 N GLY A 73 -19.824 -10.771 -5.186 1.00 0.00 N ATOM 1081 CA GLY A 73 -19.183 -10.983 -3.903 1.00 0.00 C ATOM 1082 C GLY A 73 -17.871 -10.233 -3.778 1.00 0.00 C ATOM 1083 O GLY A 73 -16.969 -10.665 -3.061 1.00 0.00 O ATOM 0 H GLY A 73 -19.898 -9.795 -5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -19.857 -10.665 -3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -19.003 -12.049 -3.762 1.00 0.00 H new ATOM 1087 N PHE A 74 -17.763 -9.106 -4.478 1.00 0.00 N ATOM 1088 CA PHE A 74 -16.550 -8.297 -4.438 1.00 0.00 C ATOM 1089 C PHE A 74 -16.232 -7.872 -3.010 1.00 0.00 C ATOM 1090 O PHE A 74 -16.962 -8.208 -2.078 1.00 0.00 O ATOM 1091 CB PHE A 74 -16.705 -7.061 -5.325 1.00 0.00 C ATOM 1092 CG PHE A 74 -16.530 -7.347 -6.789 1.00 0.00 C ATOM 1093 CD1 PHE A 74 -17.245 -8.365 -7.397 1.00 0.00 C ATOM 1094 CD2 PHE A 74 -15.652 -6.597 -7.556 1.00 0.00 C ATOM 1095 CE1 PHE A 74 -17.090 -8.630 -8.744 1.00 0.00 C ATOM 1096 CE2 PHE A 74 -15.492 -6.857 -8.903 1.00 0.00 C ATOM 1097 CZ PHE A 74 -16.212 -7.875 -9.498 1.00 0.00 C ATOM 0 H PHE A 74 -18.499 -8.734 -5.078 1.00 0.00 H new ATOM 0 HA PHE A 74 -15.726 -8.903 -4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -17.693 -6.629 -5.163 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -15.975 -6.311 -5.020 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -17.932 -8.959 -6.812 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -15.087 -5.800 -7.095 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -17.654 -9.426 -9.207 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.805 -6.265 -9.490 1.00 0.00 H new ATOM 0 HZ PHE A 74 -16.089 -8.080 -10.551 1.00 0.00 H new ATOM 1107 N LYS A 75 -15.141 -7.132 -2.846 1.00 0.00 N ATOM 1108 CA LYS A 75 -14.731 -6.662 -1.528 1.00 0.00 C ATOM 1109 C LYS A 75 -13.840 -5.426 -1.641 1.00 0.00 C ATOM 1110 O LYS A 75 -12.699 -5.505 -2.096 1.00 0.00 O ATOM 1111 CB LYS A 75 -13.990 -7.769 -0.772 1.00 0.00 C ATOM 1112 CG LYS A 75 -14.453 -9.175 -1.124 1.00 0.00 C ATOM 1113 CD LYS A 75 -14.041 -9.568 -2.534 1.00 0.00 C ATOM 1114 CE LYS A 75 -13.082 -10.748 -2.524 1.00 0.00 C ATOM 1115 NZ LYS A 75 -13.359 -11.700 -3.634 1.00 0.00 N ATOM 0 H LYS A 75 -14.526 -6.845 -3.607 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.630 -6.392 -0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.923 -7.686 -0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.119 -7.612 0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.033 -9.885 -0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.538 -9.234 -1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.927 -9.822 -3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.569 -8.718 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.058 -10.384 -2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.159 -11.270 -1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.683 -12.489 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.327 -12.068 -3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.260 -11.209 -4.545 1.00 0.00 H new ATOM 1129 N VAL A 76 -14.374 -4.288 -1.216 1.00 0.00 N ATOM 1130 CA VAL A 76 -13.642 -3.024 -1.253 1.00 0.00 C ATOM 1131 C VAL A 76 -13.338 -2.566 0.133 1.00 0.00 C ATOM 1132 O VAL A 76 -12.986 -1.407 0.352 1.00 0.00 O ATOM 1133 CB VAL A 76 -14.488 -1.918 -1.916 1.00 0.00 C ATOM 1134 CG1 VAL A 76 -14.738 -2.247 -3.381 1.00 0.00 C ATOM 1135 CG2 VAL A 76 -15.799 -1.831 -1.145 1.00 0.00 C ATOM 0 H VAL A 76 -15.319 -4.213 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 76 -12.728 -3.196 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 76 -13.968 -0.961 -1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.336 -1.457 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -13.785 -2.326 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.272 -3.194 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -16.429 -1.057 -1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.315 -2.790 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.593 -1.584 -0.104 1.00 0.00 H new ATOM 1145 N GLU A 77 -13.521 -3.470 1.067 1.00 0.00 N ATOM 1146 CA GLU A 77 -13.322 -3.137 2.471 1.00 0.00 C ATOM 1147 C GLU A 77 -13.581 -1.652 2.579 1.00 0.00 C ATOM 1148 O GLU A 77 -12.830 -0.909 3.204 1.00 0.00 O ATOM 1149 CB GLU A 77 -11.897 -3.476 2.916 1.00 0.00 C ATOM 1150 CG GLU A 77 -11.043 -4.078 1.817 1.00 0.00 C ATOM 1151 CD GLU A 77 -11.221 -5.579 1.696 1.00 0.00 C ATOM 1152 OE1 GLU A 77 -11.743 -6.194 2.650 1.00 0.00 O ATOM 1153 OE2 GLU A 77 -10.841 -6.138 0.646 1.00 0.00 O ATOM 0 H GLU A 77 -13.804 -4.434 0.890 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.990 -3.708 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.415 -2.570 3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.943 -4.174 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.296 -3.608 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.994 -3.855 2.013 1.00 0.00 H new ATOM 1160 N ASN A 78 -14.623 -1.243 1.852 1.00 0.00 N ATOM 1161 CA ASN A 78 -14.988 0.148 1.705 1.00 0.00 C ATOM 1162 C ASN A 78 -14.042 1.001 2.514 1.00 0.00 C ATOM 1163 O ASN A 78 -14.392 1.572 3.546 1.00 0.00 O ATOM 1164 CB ASN A 78 -16.433 0.440 2.055 1.00 0.00 C ATOM 1165 CG ASN A 78 -16.785 1.810 1.537 1.00 0.00 C ATOM 1166 OD1 ASN A 78 -16.820 2.035 0.331 1.00 0.00 O ATOM 1167 ND2 ASN A 78 -17.042 2.730 2.441 1.00 0.00 N ATOM 0 H ASN A 78 -15.237 -1.883 1.348 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.898 0.397 0.648 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -17.088 -0.311 1.614 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -16.577 0.395 3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -17.000 2.496 3.433 1.00 0.00 H new ATOM 1172 N HIS A 79 -12.817 1.015 2.036 1.00 0.00 N ATOM 1173 CA HIS A 79 -11.731 1.713 2.678 1.00 0.00 C ATOM 1174 C HIS A 79 -12.105 3.076 3.196 1.00 0.00 C ATOM 1175 O HIS A 79 -12.522 3.969 2.466 1.00 0.00 O ATOM 1176 CB HIS A 79 -10.544 1.788 1.735 1.00 0.00 C ATOM 1177 CG HIS A 79 -10.088 0.423 1.375 1.00 0.00 C ATOM 1178 ND1 HIS A 79 -9.057 0.132 0.522 1.00 0.00 N ATOM 1179 CD2 HIS A 79 -10.580 -0.759 1.792 1.00 0.00 C ATOM 1180 CE1 HIS A 79 -8.954 -1.200 0.443 1.00 0.00 C ATOM 1181 NE2 HIS A 79 -9.859 -1.792 1.200 1.00 0.00 N ATOM 0 H HIS A 79 -12.546 0.534 1.178 1.00 0.00 H new ATOM 0 HA HIS A 79 -11.462 1.136 3.563 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -10.820 2.336 0.834 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -9.730 2.339 2.207 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -8.472 0.810 0.034 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.404 -0.886 2.478 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.226 -1.722 -0.161 1.00 0.00 H new ATOM 1189 N THR A 80 -11.912 3.212 4.481 1.00 0.00 N ATOM 1190 CA THR A 80 -12.169 4.458 5.172 1.00 0.00 C ATOM 1191 C THR A 80 -10.842 5.088 5.553 1.00 0.00 C ATOM 1192 O THR A 80 -10.755 6.284 5.831 1.00 0.00 O ATOM 1193 CB THR A 80 -13.019 4.209 6.407 1.00 0.00 C ATOM 1194 OG1 THR A 80 -12.204 3.969 7.542 1.00 0.00 O ATOM 1195 CG2 THR A 80 -13.937 3.028 6.235 1.00 0.00 C ATOM 0 H THR A 80 -11.571 2.463 5.084 1.00 0.00 H new ATOM 0 HA THR A 80 -12.718 5.137 4.519 1.00 0.00 H new ATOM 0 HB THR A 80 -13.617 5.109 6.551 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.478 3.357 7.300 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.524 2.889 7.143 1.00 0.00 H new ATOM 0 HG22 THR A 80 -14.606 3.207 5.393 1.00 0.00 H new ATOM 0 HG23 THR A 80 -13.346 2.132 6.044 1.00 0.00 H new ATOM 1203 N ALA A 81 -9.805 4.255 5.545 1.00 0.00 N ATOM 1204 CA ALA A 81 -8.456 4.699 5.872 1.00 0.00 C ATOM 1205 C ALA A 81 -7.431 3.718 5.322 1.00 0.00 C ATOM 1206 O ALA A 81 -7.722 2.533 5.169 1.00 0.00 O ATOM 1207 CB ALA A 81 -8.296 4.851 7.377 1.00 0.00 C ATOM 0 H ALA A 81 -9.875 3.264 5.314 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.288 5.672 5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.283 5.183 7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.010 5.587 7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.480 3.892 7.861 1.00 0.00 H new ATOM 1213 N CYS A 82 -6.233 4.210 5.022 1.00 0.00 N ATOM 1214 CA CYS A 82 -5.176 3.359 4.487 1.00 0.00 C ATOM 1215 C CYS A 82 -3.843 3.631 5.180 1.00 0.00 C ATOM 1216 O CYS A 82 -3.521 4.775 5.501 1.00 0.00 O ATOM 1217 CB CYS A 82 -5.031 3.570 2.981 1.00 0.00 C ATOM 1218 SG CYS A 82 -4.869 2.018 2.042 1.00 0.00 S ATOM 0 H CYS A 82 -5.971 5.189 5.140 1.00 0.00 H new ATOM 0 HA CYS A 82 -5.456 2.323 4.677 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.898 4.119 2.614 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -4.157 4.193 2.792 1.00 0.00 H new ATOM 1223 N HIS A 83 -3.068 2.572 5.402 1.00 0.00 N ATOM 1224 CA HIS A 83 -1.765 2.698 6.049 1.00 0.00 C ATOM 1225 C HIS A 83 -0.821 1.591 5.589 1.00 0.00 C ATOM 1226 O HIS A 83 -1.111 0.406 5.753 1.00 0.00 O ATOM 1227 CB HIS A 83 -1.913 2.661 7.574 1.00 0.00 C ATOM 1228 CG HIS A 83 -2.323 1.324 8.112 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -3.346 0.506 7.769 1.00 0.00 N flip ATOM 1230 CD2 HIS A 83 -1.652 0.687 9.136 1.00 0.00 C flip ATOM 1231 CE1 HIS A 83 -3.275 -0.597 8.585 1.00 0.00 C flip ATOM 1232 NE2 HIS A 83 -2.246 -0.464 9.400 1.00 0.00 N flip ATOM 0 H HIS A 83 -3.320 1.618 5.144 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.339 3.659 5.761 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.965 2.949 8.028 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.650 3.405 7.876 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.778 1.069 9.643 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.953 -1.438 8.563 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.958 -1.135 10.112 1.00 0.00 H new ATOM 1241 N CYS A 84 0.310 1.987 5.010 1.00 0.00 N ATOM 1242 CA CYS A 84 1.299 1.030 4.524 1.00 0.00 C ATOM 1243 C CYS A 84 1.816 0.157 5.662 1.00 0.00 C ATOM 1244 O CYS A 84 2.352 0.664 6.647 1.00 0.00 O ATOM 1245 CB CYS A 84 2.466 1.764 3.862 1.00 0.00 C ATOM 1246 SG CYS A 84 3.112 0.943 2.369 1.00 0.00 S ATOM 0 H CYS A 84 0.564 2.964 4.866 1.00 0.00 H new ATOM 0 HA CYS A 84 0.815 0.389 3.787 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.145 2.772 3.599 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.274 1.866 4.586 1.00 0.00 H new ATOM 1251 N SER A 85 1.658 -1.157 5.522 1.00 0.00 N ATOM 1252 CA SER A 85 2.115 -2.091 6.546 1.00 0.00 C ATOM 1253 C SER A 85 1.663 -3.516 6.239 1.00 0.00 C ATOM 1254 O SER A 85 0.496 -3.757 5.932 1.00 0.00 O ATOM 1255 CB SER A 85 1.593 -1.669 7.923 1.00 0.00 C ATOM 1256 OG SER A 85 2.511 -2.014 8.946 1.00 0.00 O ATOM 0 H SER A 85 1.219 -1.597 4.713 1.00 0.00 H new ATOM 0 HA SER A 85 3.205 -2.070 6.551 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.419 -0.593 7.935 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.634 -2.150 8.114 1.00 0.00 H new ATOM 0 HG SER A 85 2.154 -1.732 9.814 1.00 0.00 H new ATOM 1262 N THR A 86 2.599 -4.456 6.333 1.00 0.00 N ATOM 1263 CA THR A 86 2.310 -5.863 6.076 1.00 0.00 C ATOM 1264 C THR A 86 1.657 -6.058 4.711 1.00 0.00 C ATOM 1265 O THR A 86 1.006 -5.155 4.185 1.00 0.00 O ATOM 1266 CB THR A 86 1.401 -6.428 7.168 1.00 0.00 C ATOM 1267 OG1 THR A 86 0.996 -5.408 8.063 1.00 0.00 O ATOM 1268 CG2 THR A 86 2.058 -7.521 7.982 1.00 0.00 C ATOM 0 H THR A 86 3.569 -4.267 6.587 1.00 0.00 H new ATOM 0 HA THR A 86 3.258 -6.400 6.081 1.00 0.00 H new ATOM 0 HB THR A 86 0.545 -6.851 6.643 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.414 -5.790 8.753 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.361 -7.879 8.740 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.337 -8.346 7.326 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.950 -7.126 8.468 1.00 0.00 H new ATOM 1276 N CYS A 87 1.836 -7.248 4.149 1.00 0.00 N ATOM 1277 CA CYS A 87 1.267 -7.579 2.848 1.00 0.00 C ATOM 1278 C CYS A 87 1.857 -8.878 2.315 1.00 0.00 C ATOM 1279 O CYS A 87 3.058 -9.120 2.432 1.00 0.00 O ATOM 1280 CB CYS A 87 1.519 -6.452 1.846 1.00 0.00 C ATOM 1281 SG CYS A 87 0.057 -6.001 0.859 1.00 0.00 S ATOM 0 H CYS A 87 2.373 -8.003 4.576 1.00 0.00 H new ATOM 0 HA CYS A 87 0.192 -7.706 2.977 1.00 0.00 H new ATOM 0 HB2 CYS A 87 1.867 -5.571 2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.322 -6.751 1.172 1.00 0.00 H new ATOM 1286 N TYR A 88 1.008 -9.710 1.722 1.00 0.00 N ATOM 1287 CA TYR A 88 1.454 -10.980 1.167 1.00 0.00 C ATOM 1288 C TYR A 88 2.616 -10.765 0.204 1.00 0.00 C ATOM 1289 O TYR A 88 2.675 -9.754 -0.496 1.00 0.00 O ATOM 1290 CB TYR A 88 0.299 -11.686 0.459 1.00 0.00 C ATOM 1291 CG TYR A 88 -0.624 -12.417 1.407 1.00 0.00 C ATOM 1292 CD1 TYR A 88 -0.253 -13.633 1.965 1.00 0.00 C ATOM 1293 CD2 TYR A 88 -1.864 -11.890 1.745 1.00 0.00 C ATOM 1294 CE1 TYR A 88 -1.091 -14.305 2.835 1.00 0.00 C ATOM 1295 CE2 TYR A 88 -2.709 -12.555 2.614 1.00 0.00 C ATOM 1296 CZ TYR A 88 -2.318 -13.762 3.155 1.00 0.00 C ATOM 1297 OH TYR A 88 -3.155 -14.428 4.020 1.00 0.00 O ATOM 0 H TYR A 88 0.010 -9.528 1.614 1.00 0.00 H new ATOM 0 HA TYR A 88 1.798 -11.612 1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.277 -10.951 -0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.703 -12.395 -0.263 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.707 -14.061 1.715 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.173 -10.945 1.322 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.787 -15.249 3.262 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.670 -12.132 2.868 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.979 -13.911 4.141 1.00 0.00 H new ATOM 1307 N TYR A 89 3.545 -11.714 0.183 1.00 0.00 N ATOM 1308 CA TYR A 89 4.714 -11.620 -0.685 1.00 0.00 C ATOM 1309 C TYR A 89 4.674 -12.666 -1.796 1.00 0.00 C ATOM 1310 O TYR A 89 3.690 -13.390 -1.947 1.00 0.00 O ATOM 1311 CB TYR A 89 5.993 -11.783 0.140 1.00 0.00 C ATOM 1312 CG TYR A 89 6.048 -13.077 0.922 1.00 0.00 C ATOM 1313 CD1 TYR A 89 5.307 -13.237 2.086 1.00 0.00 C ATOM 1314 CD2 TYR A 89 6.842 -14.135 0.498 1.00 0.00 C ATOM 1315 CE1 TYR A 89 5.355 -14.415 2.806 1.00 0.00 C ATOM 1316 CE2 TYR A 89 6.894 -15.318 1.212 1.00 0.00 C ATOM 1317 CZ TYR A 89 6.150 -15.452 2.365 1.00 0.00 C ATOM 1318 OH TYR A 89 6.200 -16.627 3.080 1.00 0.00 O ATOM 0 H TYR A 89 3.512 -12.557 0.756 1.00 0.00 H new ATOM 0 HA TYR A 89 4.705 -10.635 -1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 89 6.854 -11.734 -0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 89 6.078 -10.946 0.833 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.683 -12.427 2.434 1.00 0.00 H new ATOM 0 HD2 TYR A 89 7.428 -14.032 -0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.773 -14.523 3.709 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.514 -16.133 0.868 1.00 0.00 H new ATOM 0 HH TYR A 89 6.805 -17.256 2.634 1.00 0.00 H new ATOM 1328 N HIS A 90 5.754 -12.733 -2.570 1.00 0.00 N ATOM 1329 CA HIS A 90 5.856 -13.684 -3.673 1.00 0.00 C ATOM 1330 C HIS A 90 5.320 -13.080 -4.967 1.00 0.00 C ATOM 1331 O HIS A 90 5.877 -13.299 -6.043 1.00 0.00 O ATOM 1332 CB HIS A 90 5.097 -14.972 -3.343 1.00 0.00 C ATOM 1333 CG HIS A 90 5.485 -16.130 -4.208 1.00 0.00 C ATOM 1334 ND1 HIS A 90 4.682 -16.616 -5.219 1.00 0.00 N ATOM 1335 CD2 HIS A 90 6.600 -16.898 -4.214 1.00 0.00 C ATOM 1336 CE1 HIS A 90 5.285 -17.634 -5.806 1.00 0.00 C ATOM 1337 NE2 HIS A 90 6.450 -17.824 -5.216 1.00 0.00 N ATOM 0 H HIS A 90 6.574 -12.137 -2.453 1.00 0.00 H new ATOM 0 HA HIS A 90 6.911 -13.921 -3.814 1.00 0.00 H new ATOM 0 HB2 HIS A 90 5.275 -15.232 -2.300 1.00 0.00 H new ATOM 0 HB3 HIS A 90 4.027 -14.792 -3.449 1.00 0.00 H new ATOM 0 HD2 HIS A 90 7.449 -16.800 -3.554 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.892 -18.212 -6.629 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.129 -18.543 -5.464 1.00 0.00 H new ATOM 1346 N LYS A 91 4.237 -12.318 -4.858 1.00 0.00 N ATOM 1347 CA LYS A 91 3.631 -11.686 -6.022 1.00 0.00 C ATOM 1348 C LYS A 91 4.022 -10.215 -6.111 1.00 0.00 C ATOM 1349 O LYS A 91 4.244 -9.557 -5.095 1.00 0.00 O ATOM 1350 CB LYS A 91 2.109 -11.818 -5.966 1.00 0.00 C ATOM 1351 CG LYS A 91 1.629 -12.895 -5.007 1.00 0.00 C ATOM 1352 CD LYS A 91 0.438 -13.653 -5.570 1.00 0.00 C ATOM 1353 CE LYS A 91 -0.768 -13.553 -4.652 1.00 0.00 C ATOM 1354 NZ LYS A 91 -1.532 -14.830 -4.598 1.00 0.00 N ATOM 0 H LYS A 91 3.762 -12.124 -3.976 1.00 0.00 H new ATOM 0 HA LYS A 91 4.001 -12.195 -6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.680 -10.861 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.734 -12.039 -6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.442 -13.592 -4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.355 -12.440 -4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.183 -13.255 -6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.705 -14.701 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.439 -13.284 -3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.422 -12.753 -4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.347 -14.720 -3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.868 -15.074 -5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.915 -15.589 -4.244 1.00 0.00 H new ATOM 1368 N SER A 92 4.102 -9.708 -7.337 1.00 0.00 N ATOM 1369 CA SER A 92 4.464 -8.315 -7.569 1.00 0.00 C ATOM 1370 C SER A 92 3.287 -7.539 -8.151 1.00 0.00 C ATOM 1371 O SER A 92 3.257 -6.300 -7.988 1.00 0.00 O ATOM 1372 CB SER A 92 5.663 -8.231 -8.516 1.00 0.00 C ATOM 1373 OG SER A 92 6.847 -7.899 -7.812 1.00 0.00 O ATOM 1374 OXT SER A 92 2.404 -8.175 -8.765 1.00 0.00 O ATOM 0 H SER A 92 3.921 -10.243 -8.187 1.00 0.00 H new ATOM 0 HA SER A 92 4.733 -7.869 -6.611 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.795 -9.185 -9.026 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.471 -7.482 -9.285 1.00 0.00 H new ATOM 0 HG SER A 92 7.599 -7.853 -8.439 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 25.126 -5.703 1.779 1.00 0.00 C HETATM 1382 C2 NAG A1052 25.290 -5.762 3.292 1.00 0.00 C HETATM 1383 C3 NAG A1052 26.706 -5.390 3.687 1.00 0.00 C HETATM 1384 C4 NAG A1052 27.703 -6.246 2.930 1.00 0.00 C HETATM 1385 C5 NAG A1052 27.440 -6.177 1.433 1.00 0.00 C HETATM 1386 C6 NAG A1052 28.336 -7.114 0.650 1.00 0.00 C HETATM 1387 C7 NAG A1052 24.430 -3.540 3.640 1.00 0.00 C HETATM 1388 C8 NAG A1052 23.425 -2.633 4.328 1.00 0.00 C HETATM 1389 N2 NAG A1052 24.363 -4.838 3.912 1.00 0.00 N HETATM 1390 O3 NAG A1052 26.873 -5.598 5.082 1.00 0.00 O HETATM 1391 O4 NAG A1052 29.017 -5.776 3.196 1.00 0.00 O HETATM 1392 O5 NAG A1052 26.081 -6.551 1.128 1.00 0.00 O HETATM 1393 O6 NAG A1052 29.705 -6.800 0.854 1.00 0.00 O HETATM 1394 O7 NAG A1052 25.258 -3.062 2.865 1.00 0.00 O HETATM 0 HO6 NAG A1052 30.177 -6.819 -0.005 1.00 0.00 H new HETATM 0 HO4 NAG A1052 29.628 -6.106 2.505 1.00 0.00 H new HETATM 0 HO3 NAG A1052 27.788 -5.360 5.341 1.00 0.00 H new HETATM 0 HN2 NAG A1052 23.656 -5.186 4.560 1.00 0.00 H new HETATM 0 H83 NAG A1052 22.414 -2.935 4.053 1.00 0.00 H new HETATM 0 H82 NAG A1052 23.546 -2.710 5.409 1.00 0.00 H new HETATM 0 H81 NAG A1052 23.593 -1.602 4.017 1.00 0.00 H new HETATM 0 H62 NAG A1052 28.146 -8.143 0.955 1.00 0.00 H new HETATM 0 H61 NAG A1052 28.098 -7.047 -0.412 1.00 0.00 H new HETATM 0 H5 NAG A1052 27.639 -5.144 1.147 1.00 0.00 H new HETATM 0 H4 NAG A1052 27.599 -7.281 3.257 1.00 0.00 H new HETATM 0 H3 NAG A1052 26.880 -4.342 3.443 1.00 0.00 H new HETATM 0 H2 NAG A1052 25.085 -6.778 3.628 1.00 0.00 H new HETATM 1404 C1 NAG A1078 -17.262 4.093 2.033 1.00 0.00 C HETATM 1405 C2 NAG A1078 -18.715 4.474 2.301 1.00 0.00 C HETATM 1406 C3 NAG A1078 -18.948 5.941 1.986 1.00 0.00 C HETATM 1407 C4 NAG A1078 -17.934 6.807 2.708 1.00 0.00 C HETATM 1408 C5 NAG A1078 -16.521 6.337 2.412 1.00 0.00 C HETATM 1409 C6 NAG A1078 -15.482 7.109 3.202 1.00 0.00 C HETATM 1410 C7 NAG A1078 -20.503 2.878 2.039 1.00 0.00 C HETATM 1411 C8 NAG A1078 -21.383 2.051 1.116 1.00 0.00 C HETATM 1412 N2 NAG A1078 -19.590 3.664 1.474 1.00 0.00 N HETATM 1413 O3 NAG A1078 -20.254 6.308 2.405 1.00 0.00 O HETATM 1414 O4 NAG A1078 -18.077 8.153 2.274 1.00 0.00 O HETATM 1415 O5 NAG A1078 -16.361 4.952 2.753 1.00 0.00 O HETATM 1416 O6 NAG A1078 -15.500 8.489 2.864 1.00 0.00 O HETATM 1417 O7 NAG A1078 -20.658 2.804 3.258 1.00 0.00 O HETATM 0 HO6 NAG A1078 -14.822 8.963 3.389 1.00 0.00 H new HETATM 0 HO4 NAG A1078 -17.216 8.615 2.352 1.00 0.00 H new HETATM 0 HO3 NAG A1078 -20.408 7.255 2.205 1.00 0.00 H new HETATM 0 HN2 NAG A1078 -19.505 3.697 0.458 1.00 0.00 H new HETATM 0 H83 NAG A1078 -21.942 2.714 0.456 1.00 0.00 H new HETATM 0 H82 NAG A1078 -20.760 1.386 0.519 1.00 0.00 H new HETATM 0 H81 NAG A1078 -22.079 1.459 1.711 1.00 0.00 H new HETATM 0 H62 NAG A1078 -15.671 6.991 4.269 1.00 0.00 H new HETATM 0 H61 NAG A1078 -14.492 6.697 3.006 1.00 0.00 H new HETATM 0 H5 NAG A1078 -16.371 6.501 1.345 1.00 0.00 H new HETATM 0 H4 NAG A1078 -18.111 6.734 3.781 1.00 0.00 H new HETATM 0 H3 NAG A1078 -18.841 6.091 0.912 1.00 0.00 H new HETATM 0 H2 NAG A1078 -18.932 4.299 3.355 1.00 0.00 H new