USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 564 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 48 LYS NZ :NH3+ -102:sc= 1.3 (180deg=-0.975) USER MOD Set 1.2: A 65 THR OG1 : rot 26:sc= 0.0748 USER MOD Set 2.1: A 16 ASN :FLIP amide:sc= -1.33 F(o=-3.3!,f=-1.2) USER MOD Set 2.2: A 23 THR OG1 : rot -71:sc= 0.0939 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 30:sc= 0.505 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.188 F(o=-0.76,f=-0.19) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 73:sc= 0.957 USER MOD Single : A 21 SER OG : rot -49:sc= 0.689 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -136:sc= 1.02 (180deg=-0.213) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.125) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 120:sc= -0.109 USER MOD Single : A 35 ASN : amide:sc= 0.503 K(o=0.5,f=0) USER MOD Single : A 38 ASN : amide:sc= -4.68! C(o=-4.7!,f=-4.3!) USER MOD Single : A 39 SER OG : rot 130:sc= -0.152 USER MOD Single : A 42 SER OG : rot -41:sc= 0.485 USER MOD Single : A 45 CYS SG : rot -34:sc= -1.78 USER MOD Single : A 46 SER OG : rot 65:sc= 0.853 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 173:sc= -0.827 (180deg=-0.936) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.133 X(o=0.13,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.78 K(o=-1.8,f=-4.6!) USER MOD Single : A 74 GLN : amide:sc= -0.0654 K(o=-0.065,f=-1.2) USER MOD Single : A 75 THR OG1 : rot 79:sc= 0.361 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0754) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 61:sc= 0.145 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.357 37.471 -20.180 1.00 0.00 N ATOM 2 CA GLY A 1 -13.536 36.435 -21.181 1.00 0.00 C ATOM 3 C GLY A 1 -13.875 35.090 -20.568 1.00 0.00 C ATOM 4 O GLY A 1 -14.999 34.871 -20.118 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.127 38.370 -20.649 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.235 37.580 -19.633 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.581 37.206 -19.541 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.331 36.729 -21.866 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.624 36.343 -21.771 1.00 0.00 H new ATOM 8 N SER A 2 -12.900 34.187 -20.553 1.00 0.00 N ATOM 9 CA SER A 2 -13.102 32.854 -19.996 1.00 0.00 C ATOM 10 C SER A 2 -13.477 32.933 -18.520 1.00 0.00 C ATOM 11 O SER A 2 -13.258 33.953 -17.866 1.00 0.00 O ATOM 12 CB SER A 2 -11.839 32.009 -20.169 1.00 0.00 C ATOM 13 OG SER A 2 -12.152 30.628 -20.224 1.00 0.00 O ATOM 0 H SER A 2 -11.963 34.354 -20.920 1.00 0.00 H new ATOM 0 HA SER A 2 -13.923 32.382 -20.536 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.322 32.304 -21.082 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.156 32.197 -19.341 1.00 0.00 H new ATOM 0 HG SER A 2 -11.328 30.110 -20.337 1.00 0.00 H new ATOM 19 N SER A 3 -14.043 31.848 -18.000 1.00 0.00 N ATOM 20 CA SER A 3 -14.453 31.795 -16.602 1.00 0.00 C ATOM 21 C SER A 3 -14.004 30.488 -15.954 1.00 0.00 C ATOM 22 O SER A 3 -13.759 29.496 -16.638 1.00 0.00 O ATOM 23 CB SER A 3 -15.972 31.939 -16.487 1.00 0.00 C ATOM 24 OG SER A 3 -16.345 32.389 -15.196 1.00 0.00 O ATOM 0 H SER A 3 -14.228 30.994 -18.526 1.00 0.00 H new ATOM 0 HA SER A 3 -13.977 32.623 -16.078 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.332 32.642 -17.239 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.448 30.980 -16.693 1.00 0.00 H new ATOM 0 HG SER A 3 -17.320 32.475 -15.148 1.00 0.00 H new ATOM 30 N GLY A 4 -13.900 30.497 -14.629 1.00 0.00 N ATOM 31 CA GLY A 4 -13.481 29.308 -13.909 1.00 0.00 C ATOM 32 C GLY A 4 -14.452 28.923 -12.811 1.00 0.00 C ATOM 33 O GLY A 4 -15.665 29.065 -12.968 1.00 0.00 O ATOM 0 H GLY A 4 -14.098 31.306 -14.041 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.382 28.479 -14.610 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.496 29.478 -13.475 1.00 0.00 H new ATOM 37 N SER A 5 -13.919 28.432 -11.697 1.00 0.00 N ATOM 38 CA SER A 5 -14.748 28.019 -10.571 1.00 0.00 C ATOM 39 C SER A 5 -13.913 27.892 -9.300 1.00 0.00 C ATOM 40 O SER A 5 -12.689 27.772 -9.358 1.00 0.00 O ATOM 41 CB SER A 5 -15.436 26.688 -10.878 1.00 0.00 C ATOM 42 OG SER A 5 -16.602 26.523 -10.089 1.00 0.00 O ATOM 0 H SER A 5 -12.917 28.311 -11.550 1.00 0.00 H new ATOM 0 HA SER A 5 -15.508 28.784 -10.411 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.699 26.646 -11.935 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.746 25.866 -10.689 1.00 0.00 H new ATOM 0 HG SER A 5 -17.025 25.666 -10.305 1.00 0.00 H new ATOM 48 N SER A 6 -14.584 27.918 -8.153 1.00 0.00 N ATOM 49 CA SER A 6 -13.905 27.810 -6.867 1.00 0.00 C ATOM 50 C SER A 6 -14.452 26.635 -6.062 1.00 0.00 C ATOM 51 O SER A 6 -15.636 26.593 -5.730 1.00 0.00 O ATOM 52 CB SER A 6 -14.064 29.107 -6.072 1.00 0.00 C ATOM 53 OG SER A 6 -15.428 29.365 -5.785 1.00 0.00 O ATOM 0 H SER A 6 -15.597 28.013 -8.088 1.00 0.00 H new ATOM 0 HA SER A 6 -12.846 27.637 -7.056 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.500 29.039 -5.142 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.645 29.938 -6.639 1.00 0.00 H new ATOM 0 HG SER A 6 -15.913 28.517 -5.714 1.00 0.00 H new ATOM 59 N GLY A 7 -13.579 25.682 -5.750 1.00 0.00 N ATOM 60 CA GLY A 7 -13.992 24.519 -4.986 1.00 0.00 C ATOM 61 C GLY A 7 -13.354 23.239 -5.487 1.00 0.00 C ATOM 62 O GLY A 7 -13.989 22.456 -6.193 1.00 0.00 O ATOM 0 H GLY A 7 -12.593 25.694 -6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.731 24.665 -3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.077 24.423 -5.034 1.00 0.00 H new ATOM 66 N ARG A 8 -12.093 23.027 -5.124 1.00 0.00 N ATOM 67 CA ARG A 8 -11.367 21.834 -5.544 1.00 0.00 C ATOM 68 C ARG A 8 -12.019 20.575 -4.981 1.00 0.00 C ATOM 69 O ARG A 8 -12.988 20.649 -4.226 1.00 0.00 O ATOM 70 CB ARG A 8 -9.908 21.913 -5.091 1.00 0.00 C ATOM 71 CG ARG A 8 -9.722 21.696 -3.598 1.00 0.00 C ATOM 72 CD ARG A 8 -8.255 21.510 -3.242 1.00 0.00 C ATOM 73 NE ARG A 8 -8.083 20.699 -2.039 1.00 0.00 N ATOM 74 CZ ARG A 8 -8.392 21.120 -0.818 1.00 0.00 C ATOM 75 NH1 ARG A 8 -8.886 22.337 -0.638 1.00 0.00 N ATOM 76 NH2 ARG A 8 -8.206 20.323 0.227 1.00 0.00 N ATOM 0 H ARG A 8 -11.553 23.666 -4.540 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.400 21.783 -6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.327 21.167 -5.633 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.505 22.889 -5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.125 22.549 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.288 20.820 -3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.737 21.036 -4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.792 22.485 -3.091 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.705 19.757 -2.143 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.030 22.953 -1.438 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.122 22.658 0.301 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.825 19.386 0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.444 20.647 1.164 1.00 0.00 H new ATOM 90 N TYR A 9 -11.480 19.419 -5.354 1.00 0.00 N ATOM 91 CA TYR A 9 -12.010 18.143 -4.889 1.00 0.00 C ATOM 92 C TYR A 9 -12.008 18.075 -3.365 1.00 0.00 C ATOM 93 O TYR A 9 -11.057 18.489 -2.701 1.00 0.00 O ATOM 94 CB TYR A 9 -11.191 16.986 -5.463 1.00 0.00 C ATOM 95 CG TYR A 9 -9.756 16.967 -4.989 1.00 0.00 C ATOM 96 CD1 TYR A 9 -8.766 17.655 -5.680 1.00 0.00 C ATOM 97 CD2 TYR A 9 -9.389 16.260 -3.851 1.00 0.00 C ATOM 98 CE1 TYR A 9 -7.453 17.640 -5.251 1.00 0.00 C ATOM 99 CE2 TYR A 9 -8.079 16.240 -3.414 1.00 0.00 C ATOM 100 CZ TYR A 9 -7.114 16.931 -4.117 1.00 0.00 C ATOM 101 OH TYR A 9 -5.808 16.913 -3.686 1.00 0.00 O ATOM 0 H TYR A 9 -10.676 19.340 -5.977 1.00 0.00 H new ATOM 0 HA TYR A 9 -13.039 18.058 -5.237 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -11.667 16.044 -5.190 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -11.205 17.047 -6.551 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.028 18.211 -6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -10.141 15.717 -3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.696 18.180 -5.800 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.811 15.686 -2.526 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.739 16.369 -2.874 1.00 0.00 H new ATOM 111 N PRO A 10 -13.098 17.540 -2.795 1.00 0.00 N ATOM 112 CA PRO A 10 -13.246 17.403 -1.343 1.00 0.00 C ATOM 113 C PRO A 10 -12.306 16.353 -0.761 1.00 0.00 C ATOM 114 O PRO A 10 -11.481 15.779 -1.473 1.00 0.00 O ATOM 115 CB PRO A 10 -14.704 16.967 -1.176 1.00 0.00 C ATOM 116 CG PRO A 10 -15.052 16.305 -2.464 1.00 0.00 C ATOM 117 CD PRO A 10 -14.269 17.026 -3.525 1.00 0.00 C ATOM 0 HA PRO A 10 -13.000 18.326 -0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.819 16.282 -0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -15.353 17.821 -0.982 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.794 15.246 -2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -16.123 16.368 -2.658 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.976 16.356 -4.333 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.849 17.833 -3.974 1.00 0.00 H new ATOM 125 N THR A 11 -12.436 16.105 0.539 1.00 0.00 N ATOM 126 CA THR A 11 -11.598 15.124 1.217 1.00 0.00 C ATOM 127 C THR A 11 -12.441 14.016 1.839 1.00 0.00 C ATOM 128 O THR A 11 -13.489 14.277 2.428 1.00 0.00 O ATOM 129 CB THR A 11 -10.743 15.781 2.317 1.00 0.00 C ATOM 130 OG1 THR A 11 -11.579 16.527 3.208 1.00 0.00 O ATOM 131 CG2 THR A 11 -9.694 16.701 1.709 1.00 0.00 C ATOM 0 H THR A 11 -13.114 16.570 1.143 1.00 0.00 H new ATOM 0 HA THR A 11 -10.939 14.695 0.462 1.00 0.00 H new ATOM 0 HB THR A 11 -10.235 14.992 2.871 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.028 16.940 3.905 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.102 17.154 2.504 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.041 16.125 1.054 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.187 17.484 1.133 1.00 0.00 H new ATOM 139 N ASN A 12 -11.976 12.779 1.704 1.00 0.00 N ATOM 140 CA ASN A 12 -12.687 11.630 2.253 1.00 0.00 C ATOM 141 C ASN A 12 -11.829 10.372 2.178 1.00 0.00 C ATOM 142 O ASN A 12 -10.936 10.266 1.338 1.00 0.00 O ATOM 143 CB ASN A 12 -14.001 11.411 1.500 1.00 0.00 C ATOM 144 CG ASN A 12 -14.960 10.515 2.260 1.00 0.00 C ATOM 145 OD1 ASN A 12 -14.777 9.206 2.129 1.00 0.00 O flip ATOM 146 ND2 ASN A 12 -15.855 10.994 2.956 1.00 0.00 N flip ATOM 0 H ASN A 12 -11.109 12.546 1.219 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.906 11.836 3.301 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -14.476 12.375 1.316 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.789 10.969 0.526 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.959 12.006 3.028 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.493 10.379 3.461 1.00 0.00 H new ATOM 153 N ASN A 13 -12.107 9.419 3.062 1.00 0.00 N ATOM 154 CA ASN A 13 -11.360 8.166 3.096 1.00 0.00 C ATOM 155 C ASN A 13 -11.312 7.524 1.714 1.00 0.00 C ATOM 156 O ASN A 13 -12.071 7.895 0.818 1.00 0.00 O ATOM 157 CB ASN A 13 -11.993 7.199 4.099 1.00 0.00 C ATOM 158 CG ASN A 13 -11.686 7.574 5.536 1.00 0.00 C ATOM 159 OD1 ASN A 13 -10.543 7.474 5.985 1.00 0.00 O ATOM 160 ND2 ASN A 13 -12.707 8.007 6.266 1.00 0.00 N ATOM 0 H ASN A 13 -12.844 9.490 3.764 1.00 0.00 H new ATOM 0 HA ASN A 13 -10.340 8.388 3.409 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.073 7.184 3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -11.631 6.189 3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -12.561 8.273 7.240 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.637 8.074 5.853 1.00 0.00 H new ATOM 167 N PHE A 14 -10.416 6.557 1.547 1.00 0.00 N ATOM 168 CA PHE A 14 -10.268 5.862 0.274 1.00 0.00 C ATOM 169 C PHE A 14 -11.363 4.814 0.096 1.00 0.00 C ATOM 170 O PHE A 14 -12.151 4.878 -0.847 1.00 0.00 O ATOM 171 CB PHE A 14 -8.892 5.199 0.187 1.00 0.00 C ATOM 172 CG PHE A 14 -7.830 6.093 -0.385 1.00 0.00 C ATOM 173 CD1 PHE A 14 -7.817 6.399 -1.737 1.00 0.00 C ATOM 174 CD2 PHE A 14 -6.845 6.629 0.428 1.00 0.00 C ATOM 175 CE1 PHE A 14 -6.841 7.221 -2.266 1.00 0.00 C ATOM 176 CE2 PHE A 14 -5.866 7.453 -0.096 1.00 0.00 C ATOM 177 CZ PHE A 14 -5.865 7.750 -1.444 1.00 0.00 C ATOM 0 H PHE A 14 -9.781 6.237 2.278 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.360 6.597 -0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.588 4.879 1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.969 4.301 -0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.579 5.990 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.842 6.401 1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.841 7.450 -3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.103 7.864 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.102 8.395 -1.855 1.00 0.00 H new ATOM 187 N GLY A 15 -11.404 3.849 1.010 1.00 0.00 N ATOM 188 CA GLY A 15 -12.404 2.800 0.936 1.00 0.00 C ATOM 189 C GLY A 15 -11.888 1.554 0.246 1.00 0.00 C ATOM 190 O GLY A 15 -12.225 0.436 0.634 1.00 0.00 O ATOM 0 H GLY A 15 -10.763 3.775 1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.732 2.544 1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.278 3.172 0.401 1.00 0.00 H new ATOM 194 N ASN A 16 -11.068 1.746 -0.783 1.00 0.00 N ATOM 195 CA ASN A 16 -10.506 0.627 -1.531 1.00 0.00 C ATOM 196 C ASN A 16 -9.022 0.849 -1.807 1.00 0.00 C ATOM 197 O ASN A 16 -8.505 1.953 -1.636 1.00 0.00 O ATOM 198 CB ASN A 16 -11.259 0.439 -2.850 1.00 0.00 C ATOM 199 CG ASN A 16 -12.707 0.878 -2.756 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.417 0.366 -1.758 1.00 0.00 O flip ATOM 201 ND2 ASN A 16 -13.182 1.668 -3.572 1.00 0.00 N flip ATOM 0 H ASN A 16 -10.778 2.665 -1.117 1.00 0.00 H new ATOM 0 HA ASN A 16 -10.615 -0.274 -0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.760 1.008 -3.635 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.218 -0.610 -3.142 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.599 2.037 -4.324 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.158 1.954 -3.496 1.00 0.00 H new ATOM 208 N CYS A 17 -8.341 -0.209 -2.235 1.00 0.00 N ATOM 209 CA CYS A 17 -6.917 -0.132 -2.536 1.00 0.00 C ATOM 210 C CYS A 17 -6.604 1.103 -3.376 1.00 0.00 C ATOM 211 O CYS A 17 -7.464 1.615 -4.093 1.00 0.00 O ATOM 212 CB CYS A 17 -6.461 -1.393 -3.273 1.00 0.00 C ATOM 213 SG CYS A 17 -4.655 -1.635 -3.285 1.00 0.00 S ATOM 0 H CYS A 17 -8.753 -1.130 -2.381 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.376 -0.055 -1.593 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.930 -2.261 -2.810 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.818 -1.349 -4.302 1.00 0.00 H new ATOM 218 N THR A 18 -5.365 1.577 -3.282 1.00 0.00 N ATOM 219 CA THR A 18 -4.938 2.752 -4.032 1.00 0.00 C ATOM 220 C THR A 18 -4.140 2.355 -5.268 1.00 0.00 C ATOM 221 O THR A 18 -3.524 3.198 -5.918 1.00 0.00 O ATOM 222 CB THR A 18 -4.083 3.693 -3.162 1.00 0.00 C ATOM 223 OG1 THR A 18 -4.657 3.809 -1.855 1.00 0.00 O ATOM 224 CG2 THR A 18 -3.976 5.070 -3.799 1.00 0.00 C ATOM 0 H THR A 18 -4.640 1.165 -2.694 1.00 0.00 H new ATOM 0 HA THR A 18 -5.842 3.276 -4.341 1.00 0.00 H new ATOM 0 HB THR A 18 -3.082 3.269 -3.082 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.510 2.977 -1.358 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.368 5.717 -3.167 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.511 4.981 -4.781 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.972 5.500 -3.906 1.00 0.00 H new ATOM 232 N GLY A 19 -4.155 1.064 -5.588 1.00 0.00 N ATOM 233 CA GLY A 19 -3.429 0.579 -6.746 1.00 0.00 C ATOM 234 C GLY A 19 -4.309 -0.212 -7.694 1.00 0.00 C ATOM 235 O GLY A 19 -4.159 -0.124 -8.913 1.00 0.00 O ATOM 0 H GLY A 19 -4.657 0.346 -5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.995 1.425 -7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.601 -0.048 -6.415 1.00 0.00 H new ATOM 239 N CYS A 20 -5.231 -0.988 -7.133 1.00 0.00 N ATOM 240 CA CYS A 20 -6.139 -1.799 -7.935 1.00 0.00 C ATOM 241 C CYS A 20 -7.591 -1.540 -7.543 1.00 0.00 C ATOM 242 O CYS A 20 -8.489 -2.294 -7.917 1.00 0.00 O ATOM 243 CB CYS A 20 -5.811 -3.284 -7.769 1.00 0.00 C ATOM 244 SG CYS A 20 -6.134 -3.934 -6.098 1.00 0.00 S ATOM 0 H CYS A 20 -5.369 -1.072 -6.126 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.009 -1.520 -8.980 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.395 -3.857 -8.489 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.760 -3.443 -8.012 1.00 0.00 H new ATOM 249 N SER A 21 -7.812 -0.469 -6.788 1.00 0.00 N ATOM 250 CA SER A 21 -9.153 -0.112 -6.342 1.00 0.00 C ATOM 251 C SER A 21 -9.953 -1.358 -5.974 1.00 0.00 C ATOM 252 O SER A 21 -11.045 -1.584 -6.493 1.00 0.00 O ATOM 253 CB SER A 21 -9.885 0.673 -7.433 1.00 0.00 C ATOM 254 OG SER A 21 -11.207 0.989 -7.034 1.00 0.00 O ATOM 0 H SER A 21 -7.079 0.167 -6.472 1.00 0.00 H new ATOM 0 HA SER A 21 -9.059 0.514 -5.455 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.339 1.590 -7.654 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.909 0.088 -8.352 1.00 0.00 H new ATOM 0 HG SER A 21 -11.647 0.183 -6.691 1.00 0.00 H new ATOM 260 N ALA A 22 -9.399 -2.164 -5.073 1.00 0.00 N ATOM 261 CA ALA A 22 -10.060 -3.386 -4.633 1.00 0.00 C ATOM 262 C ALA A 22 -10.670 -3.212 -3.247 1.00 0.00 C ATOM 263 O ALA A 22 -9.954 -3.083 -2.253 1.00 0.00 O ATOM 264 CB ALA A 22 -9.078 -4.548 -4.637 1.00 0.00 C ATOM 0 H ALA A 22 -8.494 -1.992 -4.634 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.868 -3.604 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.585 -5.454 -4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.693 -4.695 -5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.251 -4.328 -3.962 1.00 0.00 H new ATOM 270 N THR A 23 -11.998 -3.207 -3.186 1.00 0.00 N ATOM 271 CA THR A 23 -12.705 -3.046 -1.921 1.00 0.00 C ATOM 272 C THR A 23 -12.385 -4.188 -0.963 1.00 0.00 C ATOM 273 O THR A 23 -12.326 -5.351 -1.365 1.00 0.00 O ATOM 274 CB THR A 23 -14.229 -2.982 -2.134 1.00 0.00 C ATOM 275 OG1 THR A 23 -14.532 -2.148 -3.258 1.00 0.00 O ATOM 276 CG2 THR A 23 -14.926 -2.442 -0.894 1.00 0.00 C ATOM 0 H THR A 23 -12.606 -3.313 -3.998 1.00 0.00 H new ATOM 0 HA THR A 23 -12.366 -2.105 -1.487 1.00 0.00 H new ATOM 0 HB THR A 23 -14.590 -3.993 -2.324 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.360 -1.211 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.001 -2.406 -1.068 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.717 -3.094 -0.046 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.559 -1.438 -0.679 1.00 0.00 H new ATOM 284 N PHE A 24 -12.180 -3.850 0.305 1.00 0.00 N ATOM 285 CA PHE A 24 -11.865 -4.848 1.321 1.00 0.00 C ATOM 286 C PHE A 24 -13.109 -5.219 2.122 1.00 0.00 C ATOM 287 O PHE A 24 -13.481 -4.526 3.069 1.00 0.00 O ATOM 288 CB PHE A 24 -10.777 -4.325 2.261 1.00 0.00 C ATOM 289 CG PHE A 24 -9.815 -3.381 1.597 1.00 0.00 C ATOM 290 CD1 PHE A 24 -8.820 -3.859 0.761 1.00 0.00 C ATOM 291 CD2 PHE A 24 -9.907 -2.015 1.811 1.00 0.00 C ATOM 292 CE1 PHE A 24 -7.933 -2.993 0.149 1.00 0.00 C ATOM 293 CE2 PHE A 24 -9.024 -1.144 1.201 1.00 0.00 C ATOM 294 CZ PHE A 24 -8.035 -1.633 0.370 1.00 0.00 C ATOM 0 H PHE A 24 -12.226 -2.893 0.654 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.499 -5.742 0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.248 -3.818 3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.222 -5.170 2.668 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.736 -4.921 0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.677 -1.627 2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.162 -3.379 -0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.107 -0.081 1.374 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.343 -0.954 -0.106 1.00 0.00 H new ATOM 304 N SER A 25 -13.750 -6.318 1.735 1.00 0.00 N ATOM 305 CA SER A 25 -14.955 -6.780 2.414 1.00 0.00 C ATOM 306 C SER A 25 -14.895 -8.284 2.663 1.00 0.00 C ATOM 307 O SER A 25 -14.921 -8.737 3.808 1.00 0.00 O ATOM 308 CB SER A 25 -16.195 -6.438 1.585 1.00 0.00 C ATOM 309 OG SER A 25 -17.375 -6.896 2.222 1.00 0.00 O ATOM 0 H SER A 25 -13.455 -6.905 0.955 1.00 0.00 H new ATOM 0 HA SER A 25 -15.018 -6.272 3.376 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.252 -5.359 1.438 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.112 -6.890 0.597 1.00 0.00 H new ATOM 0 HG SER A 25 -18.154 -6.664 1.674 1.00 0.00 H new ATOM 315 N VAL A 26 -14.815 -9.054 1.583 1.00 0.00 N ATOM 316 CA VAL A 26 -14.750 -10.507 1.682 1.00 0.00 C ATOM 317 C VAL A 26 -13.341 -10.972 2.032 1.00 0.00 C ATOM 318 O VAL A 26 -13.154 -11.824 2.902 1.00 0.00 O ATOM 319 CB VAL A 26 -15.190 -11.180 0.369 1.00 0.00 C ATOM 320 CG1 VAL A 26 -16.639 -10.841 0.053 1.00 0.00 C ATOM 321 CG2 VAL A 26 -14.275 -10.765 -0.774 1.00 0.00 C ATOM 0 H VAL A 26 -14.794 -8.695 0.628 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.434 -10.800 2.478 1.00 0.00 H new ATOM 0 HB VAL A 26 -15.114 -12.260 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.931 -11.326 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -17.280 -11.193 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -16.746 -9.761 -0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.600 -11.250 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.317 -9.683 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.252 -11.065 -0.548 1.00 0.00 H new ATOM 331 N LEU A 27 -12.352 -10.407 1.349 1.00 0.00 N ATOM 332 CA LEU A 27 -10.957 -10.763 1.588 1.00 0.00 C ATOM 333 C LEU A 27 -10.042 -9.566 1.351 1.00 0.00 C ATOM 334 O LEU A 27 -10.507 -8.455 1.093 1.00 0.00 O ATOM 335 CB LEU A 27 -10.544 -11.922 0.680 1.00 0.00 C ATOM 336 CG LEU A 27 -10.835 -13.327 1.211 1.00 0.00 C ATOM 337 CD1 LEU A 27 -10.805 -14.342 0.079 1.00 0.00 C ATOM 338 CD2 LEU A 27 -9.838 -13.705 2.296 1.00 0.00 C ATOM 0 H LEU A 27 -12.489 -9.701 0.626 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.859 -11.072 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.051 -11.805 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.474 -11.843 0.487 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.834 -13.330 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.014 -15.336 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.559 -14.081 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.820 -14.338 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.061 -14.707 2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.828 -13.684 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.909 -12.994 3.119 1.00 0.00 H new ATOM 350 N LYS A 28 -8.737 -9.799 1.439 1.00 0.00 N ATOM 351 CA LYS A 28 -7.754 -8.742 1.231 1.00 0.00 C ATOM 352 C LYS A 28 -7.886 -7.659 2.298 1.00 0.00 C ATOM 353 O LYS A 28 -8.045 -6.479 1.983 1.00 0.00 O ATOM 354 CB LYS A 28 -7.924 -8.126 -0.160 1.00 0.00 C ATOM 355 CG LYS A 28 -7.110 -8.823 -1.237 1.00 0.00 C ATOM 356 CD LYS A 28 -7.802 -8.758 -2.588 1.00 0.00 C ATOM 357 CE LYS A 28 -7.441 -7.486 -3.339 1.00 0.00 C ATOM 358 NZ LYS A 28 -6.223 -7.663 -4.176 1.00 0.00 N ATOM 0 H LYS A 28 -8.335 -10.712 1.653 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.760 -9.184 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.978 -8.157 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.636 -7.076 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.126 -8.359 -1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.952 -9.865 -0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.520 -9.626 -3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.882 -8.805 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.277 -7.189 -3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.278 -6.678 -2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.602 -6.836 -4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.716 -8.520 -3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.498 -7.756 -5.174 1.00 0.00 H new ATOM 372 N LYS A 29 -7.818 -8.068 3.560 1.00 0.00 N ATOM 373 CA LYS A 29 -7.927 -7.133 4.674 1.00 0.00 C ATOM 374 C LYS A 29 -7.312 -5.784 4.315 1.00 0.00 C ATOM 375 O LYS A 29 -6.183 -5.716 3.827 1.00 0.00 O ATOM 376 CB LYS A 29 -7.238 -7.705 5.915 1.00 0.00 C ATOM 377 CG LYS A 29 -8.055 -8.769 6.628 1.00 0.00 C ATOM 378 CD LYS A 29 -7.307 -9.339 7.821 1.00 0.00 C ATOM 379 CE LYS A 29 -8.142 -10.376 8.558 1.00 0.00 C ATOM 380 NZ LYS A 29 -8.415 -11.571 7.712 1.00 0.00 N ATOM 0 H LYS A 29 -7.688 -9.041 3.837 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.985 -6.984 4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.278 -8.131 5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.028 -6.893 6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.001 -8.341 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.296 -9.572 5.931 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.375 -9.793 7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.040 -8.532 8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.621 -10.684 9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.086 -9.928 8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.820 -12.327 8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.088 -11.318 6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.527 -11.904 7.284 1.00 0.00 H new ATOM 394 N ARG A 30 -8.060 -4.713 4.559 1.00 0.00 N ATOM 395 CA ARG A 30 -7.588 -3.367 4.261 1.00 0.00 C ATOM 396 C ARG A 30 -6.259 -3.090 4.959 1.00 0.00 C ATOM 397 O ARG A 30 -6.230 -2.635 6.102 1.00 0.00 O ATOM 398 CB ARG A 30 -8.628 -2.331 4.693 1.00 0.00 C ATOM 399 CG ARG A 30 -8.234 -0.900 4.368 1.00 0.00 C ATOM 400 CD ARG A 30 -9.452 0.004 4.264 1.00 0.00 C ATOM 401 NE ARG A 30 -9.148 1.379 4.650 1.00 0.00 N ATOM 402 CZ ARG A 30 -9.166 1.811 5.906 1.00 0.00 C ATOM 403 NH1 ARG A 30 -9.471 0.980 6.892 1.00 0.00 N ATOM 404 NH2 ARG A 30 -8.877 3.078 6.177 1.00 0.00 N ATOM 0 H ARG A 30 -8.996 -4.752 4.963 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.436 -3.293 3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.577 -2.557 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.791 -2.419 5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.564 -0.522 5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.682 -0.878 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.828 -0.011 3.241 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.247 -0.384 4.901 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.909 2.044 3.915 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.693 0.006 6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.484 1.315 7.855 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.641 3.720 5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.891 3.409 7.142 1.00 0.00 H new ATOM 418 N ARG A 31 -5.162 -3.369 4.262 1.00 0.00 N ATOM 419 CA ARG A 31 -3.830 -3.151 4.815 1.00 0.00 C ATOM 420 C ARG A 31 -3.467 -1.670 4.791 1.00 0.00 C ATOM 421 O ARG A 31 -4.136 -0.867 4.141 1.00 0.00 O ATOM 422 CB ARG A 31 -2.792 -3.955 4.030 1.00 0.00 C ATOM 423 CG ARG A 31 -1.654 -4.482 4.889 1.00 0.00 C ATOM 424 CD ARG A 31 -0.574 -5.137 4.042 1.00 0.00 C ATOM 425 NE ARG A 31 0.315 -5.976 4.841 1.00 0.00 N ATOM 426 CZ ARG A 31 0.040 -7.233 5.170 1.00 0.00 C ATOM 427 NH1 ARG A 31 -1.093 -7.793 4.770 1.00 0.00 N ATOM 428 NH2 ARG A 31 0.900 -7.932 5.900 1.00 0.00 N ATOM 0 H ARG A 31 -5.169 -3.746 3.314 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.834 -3.489 5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.288 -4.795 3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.379 -3.327 3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.221 -3.663 5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.043 -5.204 5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.040 -5.741 3.264 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.010 -4.366 3.540 1.00 0.00 H new ATOM 0 HE ARG A 31 1.195 -5.575 5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.756 -7.258 4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.302 -8.759 5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.773 -7.504 6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.688 -8.897 6.152 1.00 0.00 H new ATOM 442 N SER A 32 -2.403 -1.315 5.504 1.00 0.00 N ATOM 443 CA SER A 32 -1.953 0.070 5.569 1.00 0.00 C ATOM 444 C SER A 32 -0.469 0.176 5.230 1.00 0.00 C ATOM 445 O SER A 32 0.369 -0.488 5.842 1.00 0.00 O ATOM 446 CB SER A 32 -2.212 0.649 6.961 1.00 0.00 C ATOM 447 OG SER A 32 -3.595 0.636 7.269 1.00 0.00 O ATOM 0 H SER A 32 -1.836 -1.968 6.045 1.00 0.00 H new ATOM 0 HA SER A 32 -2.518 0.644 4.834 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.665 0.072 7.706 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.835 1.671 7.009 1.00 0.00 H new ATOM 0 HG SER A 32 -3.734 1.009 8.164 1.00 0.00 H new ATOM 453 N CYS A 33 -0.150 1.015 4.251 1.00 0.00 N ATOM 454 CA CYS A 33 1.232 1.209 3.828 1.00 0.00 C ATOM 455 C CYS A 33 2.090 1.709 4.987 1.00 0.00 C ATOM 456 O CYS A 33 1.571 2.172 6.003 1.00 0.00 O ATOM 457 CB CYS A 33 1.297 2.201 2.666 1.00 0.00 C ATOM 458 SG CYS A 33 2.944 2.342 1.900 1.00 0.00 S ATOM 0 H CYS A 33 -0.831 1.572 3.735 1.00 0.00 H new ATOM 0 HA CYS A 33 1.623 0.247 3.498 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.578 1.899 1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.989 3.184 3.023 1.00 0.00 H new ATOM 463 N SER A 34 3.406 1.611 4.827 1.00 0.00 N ATOM 464 CA SER A 34 4.336 2.050 5.860 1.00 0.00 C ATOM 465 C SER A 34 4.937 3.408 5.510 1.00 0.00 C ATOM 466 O SER A 34 5.254 4.205 6.392 1.00 0.00 O ATOM 467 CB SER A 34 5.451 1.019 6.043 1.00 0.00 C ATOM 468 OG SER A 34 5.026 -0.052 6.868 1.00 0.00 O ATOM 0 H SER A 34 3.852 1.231 3.992 1.00 0.00 H new ATOM 0 HA SER A 34 3.783 2.147 6.794 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.757 0.633 5.070 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.324 1.498 6.485 1.00 0.00 H new ATOM 0 HG SER A 34 5.082 -0.893 6.367 1.00 0.00 H new ATOM 474 N ASN A 35 5.089 3.664 4.215 1.00 0.00 N ATOM 475 CA ASN A 35 5.652 4.926 3.746 1.00 0.00 C ATOM 476 C ASN A 35 4.568 5.993 3.625 1.00 0.00 C ATOM 477 O ASN A 35 4.471 6.891 4.462 1.00 0.00 O ATOM 478 CB ASN A 35 6.342 4.729 2.395 1.00 0.00 C ATOM 479 CG ASN A 35 6.956 6.012 1.867 1.00 0.00 C ATOM 480 OD1 ASN A 35 7.769 6.646 2.539 1.00 0.00 O ATOM 481 ND2 ASN A 35 6.567 6.399 0.658 1.00 0.00 N ATOM 0 H ASN A 35 4.831 3.015 3.472 1.00 0.00 H new ATOM 0 HA ASN A 35 6.388 5.262 4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.119 3.971 2.494 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.619 4.351 1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.945 7.254 0.250 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.890 5.841 0.137 1.00 0.00 H new ATOM 488 N CYS A 36 3.756 5.888 2.579 1.00 0.00 N ATOM 489 CA CYS A 36 2.679 6.843 2.348 1.00 0.00 C ATOM 490 C CYS A 36 1.606 6.726 3.427 1.00 0.00 C ATOM 491 O CYS A 36 0.990 7.717 3.815 1.00 0.00 O ATOM 492 CB CYS A 36 2.057 6.618 0.968 1.00 0.00 C ATOM 493 SG CYS A 36 1.024 5.122 0.853 1.00 0.00 S ATOM 0 H CYS A 36 3.823 5.151 1.877 1.00 0.00 H new ATOM 0 HA CYS A 36 3.102 7.847 2.389 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.451 7.486 0.709 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.855 6.554 0.228 1.00 0.00 H new ATOM 498 N GLY A 37 1.389 5.505 3.907 1.00 0.00 N ATOM 499 CA GLY A 37 0.392 5.279 4.937 1.00 0.00 C ATOM 500 C GLY A 37 -1.022 5.305 4.389 1.00 0.00 C ATOM 501 O GLY A 37 -1.936 5.813 5.037 1.00 0.00 O ATOM 0 H GLY A 37 1.886 4.669 3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.577 4.316 5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.493 6.041 5.710 1.00 0.00 H new ATOM 505 N ASN A 38 -1.201 4.758 3.192 1.00 0.00 N ATOM 506 CA ASN A 38 -2.513 4.722 2.556 1.00 0.00 C ATOM 507 C ASN A 38 -3.138 3.335 2.675 1.00 0.00 C ATOM 508 O ASN A 38 -2.586 2.448 3.326 1.00 0.00 O ATOM 509 CB ASN A 38 -2.401 5.119 1.083 1.00 0.00 C ATOM 510 CG ASN A 38 -1.688 6.444 0.894 1.00 0.00 C ATOM 511 OD1 ASN A 38 -1.665 7.283 1.795 1.00 0.00 O ATOM 512 ND2 ASN A 38 -1.103 6.639 -0.282 1.00 0.00 N ATOM 0 H ASN A 38 -0.454 4.333 2.642 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.157 5.436 3.069 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.866 4.341 0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.399 5.182 0.649 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.609 7.512 -0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.147 5.916 -1.000 1.00 0.00 H new ATOM 519 N SER A 39 -4.291 3.155 2.039 1.00 0.00 N ATOM 520 CA SER A 39 -4.993 1.877 2.076 1.00 0.00 C ATOM 521 C SER A 39 -4.614 1.015 0.875 1.00 0.00 C ATOM 522 O SER A 39 -4.626 1.480 -0.265 1.00 0.00 O ATOM 523 CB SER A 39 -6.506 2.102 2.100 1.00 0.00 C ATOM 524 OG SER A 39 -6.881 3.137 1.208 1.00 0.00 O ATOM 0 H SER A 39 -4.759 3.878 1.492 1.00 0.00 H new ATOM 0 HA SER A 39 -4.697 1.354 2.985 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.019 1.179 1.828 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.823 2.356 3.111 1.00 0.00 H new ATOM 0 HG SER A 39 -7.614 2.827 0.637 1.00 0.00 H new ATOM 530 N PHE A 40 -4.279 -0.243 1.139 1.00 0.00 N ATOM 531 CA PHE A 40 -3.896 -1.171 0.082 1.00 0.00 C ATOM 532 C PHE A 40 -4.344 -2.591 0.415 1.00 0.00 C ATOM 533 O PHE A 40 -4.734 -2.881 1.546 1.00 0.00 O ATOM 534 CB PHE A 40 -2.381 -1.138 -0.130 1.00 0.00 C ATOM 535 CG PHE A 40 -1.886 0.146 -0.731 1.00 0.00 C ATOM 536 CD1 PHE A 40 -2.003 0.380 -2.092 1.00 0.00 C ATOM 537 CD2 PHE A 40 -1.305 1.120 0.065 1.00 0.00 C ATOM 538 CE1 PHE A 40 -1.550 1.561 -2.648 1.00 0.00 C ATOM 539 CE2 PHE A 40 -0.850 2.303 -0.486 1.00 0.00 C ATOM 540 CZ PHE A 40 -0.971 2.524 -1.844 1.00 0.00 C ATOM 0 H PHE A 40 -4.265 -0.644 2.077 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.392 -0.860 -0.838 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.885 -1.296 0.828 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.095 -1.967 -0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.454 -0.370 -2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.207 0.953 1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.648 1.731 -3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.400 3.055 0.145 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.614 3.447 -2.276 1.00 0.00 H new ATOM 550 N CYS A 41 -4.285 -3.472 -0.578 1.00 0.00 N ATOM 551 CA CYS A 41 -4.686 -4.861 -0.393 1.00 0.00 C ATOM 552 C CYS A 41 -3.491 -5.722 0.008 1.00 0.00 C ATOM 553 O CYS A 41 -2.372 -5.228 0.136 1.00 0.00 O ATOM 554 CB CYS A 41 -5.315 -5.408 -1.676 1.00 0.00 C ATOM 555 SG CYS A 41 -4.193 -5.413 -3.111 1.00 0.00 S ATOM 0 H CYS A 41 -3.963 -3.248 -1.520 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.424 -4.897 0.409 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.659 -6.426 -1.494 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.195 -4.813 -1.919 1.00 0.00 H new ATOM 560 N SER A 42 -3.739 -7.014 0.203 1.00 0.00 N ATOM 561 CA SER A 42 -2.686 -7.944 0.592 1.00 0.00 C ATOM 562 C SER A 42 -1.878 -8.389 -0.623 1.00 0.00 C ATOM 563 O SER A 42 -1.128 -9.364 -0.561 1.00 0.00 O ATOM 564 CB SER A 42 -3.286 -9.163 1.294 1.00 0.00 C ATOM 565 OG SER A 42 -2.277 -9.948 1.905 1.00 0.00 O ATOM 0 H SER A 42 -4.660 -7.440 0.098 1.00 0.00 H new ATOM 0 HA SER A 42 -2.018 -7.429 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.003 -8.836 2.047 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.835 -9.768 0.573 1.00 0.00 H new ATOM 0 HG SER A 42 -1.505 -10.013 1.305 1.00 0.00 H new ATOM 571 N ARG A 43 -2.037 -7.668 -1.728 1.00 0.00 N ATOM 572 CA ARG A 43 -1.324 -7.988 -2.959 1.00 0.00 C ATOM 573 C ARG A 43 -0.524 -6.786 -3.453 1.00 0.00 C ATOM 574 O ARG A 43 0.471 -6.938 -4.162 1.00 0.00 O ATOM 575 CB ARG A 43 -2.307 -8.440 -4.040 1.00 0.00 C ATOM 576 CG ARG A 43 -2.853 -9.841 -3.821 1.00 0.00 C ATOM 577 CD ARG A 43 -3.630 -10.332 -5.032 1.00 0.00 C ATOM 578 NE ARG A 43 -3.995 -11.741 -4.914 1.00 0.00 N ATOM 579 CZ ARG A 43 -5.026 -12.175 -4.198 1.00 0.00 C ATOM 580 NH1 ARG A 43 -5.791 -11.314 -3.541 1.00 0.00 N ATOM 581 NH2 ARG A 43 -5.295 -13.473 -4.139 1.00 0.00 N ATOM 0 H ARG A 43 -2.653 -6.858 -1.796 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.630 -8.801 -2.746 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.139 -7.737 -4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.811 -8.400 -5.010 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.030 -10.525 -3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.501 -9.847 -2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.533 -9.733 -5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.030 -10.187 -5.931 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.427 -12.429 -5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.588 -10.315 -3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.582 -11.650 -2.992 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.710 -14.139 -4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.087 -13.805 -3.589 1.00 0.00 H new ATOM 595 N CYS A 44 -0.966 -5.592 -3.073 1.00 0.00 N ATOM 596 CA CYS A 44 -0.293 -4.363 -3.478 1.00 0.00 C ATOM 597 C CYS A 44 0.709 -3.917 -2.417 1.00 0.00 C ATOM 598 O CYS A 44 1.781 -3.405 -2.738 1.00 0.00 O ATOM 599 CB CYS A 44 -1.318 -3.254 -3.726 1.00 0.00 C ATOM 600 SG CYS A 44 -2.242 -3.432 -5.286 1.00 0.00 S ATOM 0 H CYS A 44 -1.787 -5.449 -2.485 1.00 0.00 H new ATOM 0 HA CYS A 44 0.248 -4.562 -4.403 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.025 -3.236 -2.897 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.804 -2.293 -3.728 1.00 0.00 H new ATOM 605 N CYS A 45 0.351 -4.116 -1.153 1.00 0.00 N ATOM 606 CA CYS A 45 1.218 -3.734 -0.044 1.00 0.00 C ATOM 607 C CYS A 45 2.107 -4.900 0.378 1.00 0.00 C ATOM 608 O CYS A 45 2.385 -5.084 1.563 1.00 0.00 O ATOM 609 CB CYS A 45 0.381 -3.259 1.144 1.00 0.00 C ATOM 610 SG CYS A 45 1.339 -2.437 2.439 1.00 0.00 S ATOM 0 H CYS A 45 -0.533 -4.539 -0.871 1.00 0.00 H new ATOM 0 HA CYS A 45 1.857 -2.917 -0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.386 -2.574 0.784 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.135 -4.116 1.577 1.00 0.00 H new ATOM 0 HG CYS A 45 2.518 -2.979 2.517 1.00 0.00 H new ATOM 616 N SER A 46 2.547 -5.686 -0.600 1.00 0.00 N ATOM 617 CA SER A 46 3.400 -6.838 -0.329 1.00 0.00 C ATOM 618 C SER A 46 4.840 -6.557 -0.745 1.00 0.00 C ATOM 619 O SER A 46 5.545 -7.445 -1.225 1.00 0.00 O ATOM 620 CB SER A 46 2.875 -8.071 -1.066 1.00 0.00 C ATOM 621 OG SER A 46 3.353 -8.110 -2.400 1.00 0.00 O ATOM 0 H SER A 46 2.327 -5.546 -1.586 1.00 0.00 H new ATOM 0 HA SER A 46 3.381 -7.029 0.744 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.185 -8.973 -0.539 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.785 -8.061 -1.067 1.00 0.00 H new ATOM 0 HG SER A 46 4.327 -8.215 -2.395 1.00 0.00 H new ATOM 627 N PHE A 47 5.272 -5.314 -0.558 1.00 0.00 N ATOM 628 CA PHE A 47 6.628 -4.914 -0.914 1.00 0.00 C ATOM 629 C PHE A 47 7.446 -4.593 0.333 1.00 0.00 C ATOM 630 O PHE A 47 7.115 -3.679 1.089 1.00 0.00 O ATOM 631 CB PHE A 47 6.597 -3.698 -1.843 1.00 0.00 C ATOM 632 CG PHE A 47 5.948 -3.975 -3.170 1.00 0.00 C ATOM 633 CD1 PHE A 47 6.678 -4.524 -4.212 1.00 0.00 C ATOM 634 CD2 PHE A 47 4.609 -3.685 -3.374 1.00 0.00 C ATOM 635 CE1 PHE A 47 6.084 -4.778 -5.433 1.00 0.00 C ATOM 636 CE2 PHE A 47 4.009 -3.938 -4.594 1.00 0.00 C ATOM 637 CZ PHE A 47 4.747 -4.486 -5.624 1.00 0.00 C ATOM 0 H PHE A 47 4.702 -4.566 -0.162 1.00 0.00 H new ATOM 0 HA PHE A 47 7.101 -5.748 -1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.063 -2.886 -1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.617 -3.353 -2.011 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.723 -4.756 -4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.027 -3.257 -2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.664 -5.205 -6.238 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.964 -3.707 -4.741 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.280 -4.686 -6.577 1.00 0.00 H new ATOM 647 N LYS A 48 8.516 -5.353 0.543 1.00 0.00 N ATOM 648 CA LYS A 48 9.383 -5.151 1.698 1.00 0.00 C ATOM 649 C LYS A 48 10.524 -4.196 1.361 1.00 0.00 C ATOM 650 O LYS A 48 11.355 -4.483 0.499 1.00 0.00 O ATOM 651 CB LYS A 48 9.950 -6.490 2.176 1.00 0.00 C ATOM 652 CG LYS A 48 8.924 -7.372 2.866 1.00 0.00 C ATOM 653 CD LYS A 48 9.572 -8.599 3.487 1.00 0.00 C ATOM 654 CE LYS A 48 10.004 -8.336 4.921 1.00 0.00 C ATOM 655 NZ LYS A 48 8.841 -8.060 5.809 1.00 0.00 N ATOM 0 H LYS A 48 8.803 -6.114 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 48 8.786 -4.710 2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.362 -7.027 1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.775 -6.301 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.411 -6.799 3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.168 -7.684 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.870 -9.433 3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.437 -8.894 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.553 -9.199 5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.688 -7.488 4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.770 -7.037 5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.969 -8.396 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.971 -8.554 6.715 1.00 0.00 H new ATOM 669 N VAL A 49 10.559 -3.058 2.048 1.00 0.00 N ATOM 670 CA VAL A 49 11.599 -2.062 1.824 1.00 0.00 C ATOM 671 C VAL A 49 12.170 -1.556 3.144 1.00 0.00 C ATOM 672 O VAL A 49 11.490 -1.522 4.170 1.00 0.00 O ATOM 673 CB VAL A 49 11.065 -0.864 1.016 1.00 0.00 C ATOM 674 CG1 VAL A 49 10.587 -1.315 -0.356 1.00 0.00 C ATOM 675 CG2 VAL A 49 9.947 -0.166 1.776 1.00 0.00 C ATOM 0 H VAL A 49 9.879 -2.804 2.764 1.00 0.00 H new ATOM 0 HA VAL A 49 12.388 -2.552 1.254 1.00 0.00 H new ATOM 0 HB VAL A 49 11.878 -0.152 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.213 -0.455 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.417 -1.766 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.788 -2.047 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.581 0.678 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.131 -0.868 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.326 0.193 2.733 1.00 0.00 H new ATOM 685 N PRO A 50 13.449 -1.153 3.120 1.00 0.00 N ATOM 686 CA PRO A 50 14.140 -0.640 4.307 1.00 0.00 C ATOM 687 C PRO A 50 13.615 0.725 4.739 1.00 0.00 C ATOM 688 O PRO A 50 13.674 1.692 3.980 1.00 0.00 O ATOM 689 CB PRO A 50 15.597 -0.534 3.851 1.00 0.00 C ATOM 690 CG PRO A 50 15.520 -0.375 2.372 1.00 0.00 C ATOM 691 CD PRO A 50 14.319 -1.166 1.932 1.00 0.00 C ATOM 0 HA PRO A 50 13.997 -1.286 5.173 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.096 0.317 4.315 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.163 -1.424 4.125 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.418 0.675 2.097 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.427 -0.743 1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.831 -0.710 1.071 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.590 -2.182 1.643 1.00 0.00 H new ATOM 699 N LYS A 51 13.103 0.797 5.963 1.00 0.00 N ATOM 700 CA LYS A 51 12.570 2.044 6.497 1.00 0.00 C ATOM 701 C LYS A 51 13.697 2.994 6.889 1.00 0.00 C ATOM 702 O LYS A 51 13.544 4.214 6.824 1.00 0.00 O ATOM 703 CB LYS A 51 11.680 1.764 7.710 1.00 0.00 C ATOM 704 CG LYS A 51 12.310 0.823 8.722 1.00 0.00 C ATOM 705 CD LYS A 51 11.836 1.124 10.134 1.00 0.00 C ATOM 706 CE LYS A 51 10.510 0.444 10.435 1.00 0.00 C ATOM 707 NZ LYS A 51 10.156 0.531 11.879 1.00 0.00 N ATOM 0 H LYS A 51 13.046 0.006 6.604 1.00 0.00 H new ATOM 0 HA LYS A 51 11.973 2.518 5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.443 2.707 8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.737 1.338 7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.062 -0.207 8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.395 0.911 8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.587 0.791 10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.730 2.201 10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.722 0.905 9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.563 -0.603 10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.246 0.056 12.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.895 0.068 12.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.080 1.530 12.158 1.00 0.00 H new ATOM 721 N SER A 52 14.829 2.428 7.295 1.00 0.00 N ATOM 722 CA SER A 52 15.981 3.225 7.700 1.00 0.00 C ATOM 723 C SER A 52 16.311 4.276 6.644 1.00 0.00 C ATOM 724 O SER A 52 16.837 5.344 6.959 1.00 0.00 O ATOM 725 CB SER A 52 17.194 2.323 7.936 1.00 0.00 C ATOM 726 OG SER A 52 17.510 1.579 6.772 1.00 0.00 O ATOM 0 H SER A 52 14.973 1.420 7.352 1.00 0.00 H new ATOM 0 HA SER A 52 15.731 3.735 8.630 1.00 0.00 H new ATOM 0 HB2 SER A 52 18.051 2.930 8.227 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.990 1.642 8.762 1.00 0.00 H new ATOM 0 HG SER A 52 18.290 1.012 6.948 1.00 0.00 H new ATOM 732 N SER A 53 16.000 3.965 5.390 1.00 0.00 N ATOM 733 CA SER A 53 16.267 4.880 4.287 1.00 0.00 C ATOM 734 C SER A 53 14.990 5.591 3.850 1.00 0.00 C ATOM 735 O SER A 53 14.533 5.430 2.718 1.00 0.00 O ATOM 736 CB SER A 53 16.873 4.122 3.103 1.00 0.00 C ATOM 737 OG SER A 53 18.153 3.609 3.428 1.00 0.00 O ATOM 0 H SER A 53 15.563 3.086 5.113 1.00 0.00 H new ATOM 0 HA SER A 53 16.979 5.629 4.633 1.00 0.00 H new ATOM 0 HB2 SER A 53 16.213 3.304 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 53 16.952 4.787 2.243 1.00 0.00 H new ATOM 0 HG SER A 53 18.518 3.128 2.656 1.00 0.00 H new ATOM 743 N MET A 54 14.419 6.378 4.755 1.00 0.00 N ATOM 744 CA MET A 54 13.195 7.115 4.464 1.00 0.00 C ATOM 745 C MET A 54 13.284 8.545 4.988 1.00 0.00 C ATOM 746 O MET A 54 13.699 8.776 6.123 1.00 0.00 O ATOM 747 CB MET A 54 11.988 6.407 5.082 1.00 0.00 C ATOM 748 CG MET A 54 11.757 5.009 4.533 1.00 0.00 C ATOM 749 SD MET A 54 10.665 4.997 3.098 1.00 0.00 S ATOM 750 CE MET A 54 9.912 3.380 3.259 1.00 0.00 C ATOM 0 H MET A 54 14.784 6.522 5.696 1.00 0.00 H new ATOM 0 HA MET A 54 13.071 7.150 3.382 1.00 0.00 H new ATOM 0 HB2 MET A 54 12.126 6.346 6.161 1.00 0.00 H new ATOM 0 HB3 MET A 54 11.096 7.009 4.908 1.00 0.00 H new ATOM 0 HG2 MET A 54 12.715 4.568 4.259 1.00 0.00 H new ATOM 0 HG3 MET A 54 11.329 4.382 5.315 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.121 3.271 2.517 1.00 0.00 H new ATOM 0 HE2 MET A 54 10.667 2.610 3.100 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.489 3.273 4.258 1.00 0.00 H new ATOM 760 N GLY A 55 12.891 9.502 4.153 1.00 0.00 N ATOM 761 CA GLY A 55 12.934 10.897 4.551 1.00 0.00 C ATOM 762 C GLY A 55 14.118 11.208 5.446 1.00 0.00 C ATOM 763 O GLY A 55 15.215 11.484 4.962 1.00 0.00 O ATOM 0 H GLY A 55 12.544 9.336 3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 55 12.981 11.524 3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.011 11.152 5.073 1.00 0.00 H new ATOM 767 N ALA A 56 13.895 11.165 6.755 1.00 0.00 N ATOM 768 CA ALA A 56 14.951 11.444 7.720 1.00 0.00 C ATOM 769 C ALA A 56 15.369 10.177 8.459 1.00 0.00 C ATOM 770 O ALA A 56 14.527 9.436 8.967 1.00 0.00 O ATOM 771 CB ALA A 56 14.497 12.508 8.708 1.00 0.00 C ATOM 0 H ALA A 56 12.992 10.939 7.172 1.00 0.00 H new ATOM 0 HA ALA A 56 15.817 11.817 7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.296 12.706 9.422 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.256 13.425 8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.613 12.157 9.240 1.00 0.00 H new ATOM 777 N THR A 57 16.674 9.933 8.514 1.00 0.00 N ATOM 778 CA THR A 57 17.203 8.755 9.190 1.00 0.00 C ATOM 779 C THR A 57 17.027 8.861 10.700 1.00 0.00 C ATOM 780 O THR A 57 16.983 9.959 11.253 1.00 0.00 O ATOM 781 CB THR A 57 18.696 8.548 8.871 1.00 0.00 C ATOM 782 OG1 THR A 57 19.454 9.677 9.320 1.00 0.00 O ATOM 783 CG2 THR A 57 18.909 8.349 7.378 1.00 0.00 C ATOM 0 H THR A 57 17.384 10.536 8.098 1.00 0.00 H new ATOM 0 HA THR A 57 16.638 7.899 8.821 1.00 0.00 H new ATOM 0 HB THR A 57 19.035 7.653 9.392 1.00 0.00 H new ATOM 0 HG1 THR A 57 20.402 9.537 9.115 1.00 0.00 H new ATOM 0 HG21 THR A 57 19.971 8.205 7.178 1.00 0.00 H new ATOM 0 HG22 THR A 57 18.355 7.471 7.045 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.554 9.228 6.840 1.00 0.00 H new ATOM 791 N ALA A 58 16.928 7.713 11.362 1.00 0.00 N ATOM 792 CA ALA A 58 16.760 7.677 12.809 1.00 0.00 C ATOM 793 C ALA A 58 17.678 6.637 13.443 1.00 0.00 C ATOM 794 O ALA A 58 18.046 5.639 12.824 1.00 0.00 O ATOM 795 CB ALA A 58 15.309 7.390 13.165 1.00 0.00 C ATOM 0 H ALA A 58 16.961 6.795 10.919 1.00 0.00 H new ATOM 0 HA ALA A 58 17.033 8.655 13.206 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.198 7.366 14.249 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.672 8.172 12.752 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.016 6.426 12.749 1.00 0.00 H new ATOM 801 N PRO A 59 18.058 6.875 14.707 1.00 0.00 N ATOM 802 CA PRO A 59 18.938 5.970 15.453 1.00 0.00 C ATOM 803 C PRO A 59 18.254 4.654 15.803 1.00 0.00 C ATOM 804 O PRO A 59 18.916 3.657 16.089 1.00 0.00 O ATOM 805 CB PRO A 59 19.263 6.759 16.724 1.00 0.00 C ATOM 806 CG PRO A 59 18.114 7.692 16.895 1.00 0.00 C ATOM 807 CD PRO A 59 17.658 8.045 15.507 1.00 0.00 C ATOM 0 HA PRO A 59 19.817 5.687 14.874 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.368 6.098 17.584 1.00 0.00 H new ATOM 0 HB3 PRO A 59 20.203 7.302 16.623 1.00 0.00 H new ATOM 0 HG2 PRO A 59 17.311 7.222 17.462 1.00 0.00 H new ATOM 0 HG3 PRO A 59 18.414 8.583 17.446 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.581 8.209 15.468 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.133 8.958 15.148 1.00 0.00 H new ATOM 815 N GLU A 60 16.924 4.658 15.777 1.00 0.00 N ATOM 816 CA GLU A 60 16.151 3.462 16.092 1.00 0.00 C ATOM 817 C GLU A 60 16.007 2.568 14.864 1.00 0.00 C ATOM 818 O GLU A 60 16.342 1.384 14.902 1.00 0.00 O ATOM 819 CB GLU A 60 14.768 3.847 16.622 1.00 0.00 C ATOM 820 CG GLU A 60 13.850 2.658 16.846 1.00 0.00 C ATOM 821 CD GLU A 60 14.074 1.993 18.190 1.00 0.00 C ATOM 822 OE1 GLU A 60 15.229 1.618 18.482 1.00 0.00 O ATOM 823 OE2 GLU A 60 13.094 1.848 18.951 1.00 0.00 O ATOM 0 H GLU A 60 16.361 5.475 15.541 1.00 0.00 H new ATOM 0 HA GLU A 60 16.686 2.907 16.863 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.886 4.387 17.562 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.296 4.532 15.918 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.813 2.986 16.776 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.008 1.927 16.053 1.00 0.00 H new ATOM 830 N ALA A 61 15.506 3.143 13.776 1.00 0.00 N ATOM 831 CA ALA A 61 15.318 2.400 12.536 1.00 0.00 C ATOM 832 C ALA A 61 16.657 2.068 11.887 1.00 0.00 C ATOM 833 O ALA A 61 17.220 2.881 11.155 1.00 0.00 O ATOM 834 CB ALA A 61 14.444 3.191 11.574 1.00 0.00 C ATOM 0 H ALA A 61 15.223 4.122 13.728 1.00 0.00 H new ATOM 0 HA ALA A 61 14.818 1.462 12.776 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.312 2.624 10.652 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.471 3.372 12.031 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.922 4.144 11.348 1.00 0.00 H new ATOM 840 N GLN A 62 17.161 0.869 12.161 1.00 0.00 N ATOM 841 CA GLN A 62 18.436 0.431 11.604 1.00 0.00 C ATOM 842 C GLN A 62 18.346 -1.007 11.103 1.00 0.00 C ATOM 843 O GLN A 62 18.328 -1.950 11.894 1.00 0.00 O ATOM 844 CB GLN A 62 19.543 0.550 12.653 1.00 0.00 C ATOM 845 CG GLN A 62 19.976 1.982 12.921 1.00 0.00 C ATOM 846 CD GLN A 62 21.372 2.070 13.505 1.00 0.00 C ATOM 847 OE1 GLN A 62 22.366 1.912 12.795 1.00 0.00 O ATOM 848 NE2 GLN A 62 21.455 2.323 14.806 1.00 0.00 N ATOM 0 H GLN A 62 16.707 0.184 12.765 1.00 0.00 H new ATOM 0 HA GLN A 62 18.675 1.076 10.759 1.00 0.00 H new ATOM 0 HB2 GLN A 62 19.198 0.103 13.585 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.407 -0.027 12.324 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.939 2.549 11.991 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.269 2.449 13.607 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.605 2.447 15.357 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.368 2.393 15.255 1.00 0.00 H new ATOM 857 N ARG A 63 18.288 -1.166 9.785 1.00 0.00 N ATOM 858 CA ARG A 63 18.199 -2.489 9.179 1.00 0.00 C ATOM 859 C ARG A 63 16.818 -3.099 9.406 1.00 0.00 C ATOM 860 O ARG A 63 16.694 -4.293 9.674 1.00 0.00 O ATOM 861 CB ARG A 63 19.276 -3.411 9.753 1.00 0.00 C ATOM 862 CG ARG A 63 19.738 -4.486 8.783 1.00 0.00 C ATOM 863 CD ARG A 63 20.477 -5.604 9.502 1.00 0.00 C ATOM 864 NE ARG A 63 21.876 -5.266 9.748 1.00 0.00 N ATOM 865 CZ ARG A 63 22.790 -6.151 10.130 1.00 0.00 C ATOM 866 NH1 ARG A 63 22.453 -7.421 10.309 1.00 0.00 N ATOM 867 NH2 ARG A 63 24.043 -5.767 10.335 1.00 0.00 N ATOM 0 H ARG A 63 18.301 -0.396 9.117 1.00 0.00 H new ATOM 0 HA ARG A 63 18.358 -2.381 8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 63 20.135 -2.810 10.052 1.00 0.00 H new ATOM 0 HB3 ARG A 63 18.891 -3.888 10.654 1.00 0.00 H new ATOM 0 HG2 ARG A 63 18.877 -4.897 8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 63 20.390 -4.043 8.030 1.00 0.00 H new ATOM 0 HD2 ARG A 63 19.983 -5.814 10.451 1.00 0.00 H new ATOM 0 HD3 ARG A 63 20.424 -6.515 8.906 1.00 0.00 H new ATOM 0 HE ARG A 63 22.168 -4.297 9.619 1.00 0.00 H new ATOM 0 HH11 ARG A 63 21.490 -7.720 10.153 1.00 0.00 H new ATOM 0 HH12 ARG A 63 23.156 -8.099 10.602 1.00 0.00 H new ATOM 0 HH21 ARG A 63 24.306 -4.791 10.199 1.00 0.00 H new ATOM 0 HH22 ARG A 63 24.744 -6.448 10.628 1.00 0.00 H new ATOM 881 N GLU A 64 15.785 -2.269 9.298 1.00 0.00 N ATOM 882 CA GLU A 64 14.415 -2.727 9.494 1.00 0.00 C ATOM 883 C GLU A 64 13.653 -2.744 8.171 1.00 0.00 C ATOM 884 O GLU A 64 13.762 -1.818 7.366 1.00 0.00 O ATOM 885 CB GLU A 64 13.692 -1.828 10.499 1.00 0.00 C ATOM 886 CG GLU A 64 12.626 -2.552 11.305 1.00 0.00 C ATOM 887 CD GLU A 64 11.592 -3.230 10.428 1.00 0.00 C ATOM 888 OE1 GLU A 64 11.150 -2.607 9.440 1.00 0.00 O ATOM 889 OE2 GLU A 64 11.224 -4.385 10.730 1.00 0.00 O ATOM 0 H GLU A 64 15.871 -1.277 9.076 1.00 0.00 H new ATOM 0 HA GLU A 64 14.451 -3.743 9.887 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.424 -1.399 11.183 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.230 -0.998 9.965 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.101 -3.298 11.942 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.128 -1.840 11.964 1.00 0.00 H new ATOM 896 N THR A 65 12.882 -3.804 7.953 1.00 0.00 N ATOM 897 CA THR A 65 12.103 -3.944 6.729 1.00 0.00 C ATOM 898 C THR A 65 10.625 -3.671 6.983 1.00 0.00 C ATOM 899 O THR A 65 10.043 -4.188 7.936 1.00 0.00 O ATOM 900 CB THR A 65 12.257 -5.352 6.124 1.00 0.00 C ATOM 901 OG1 THR A 65 11.797 -6.339 7.054 1.00 0.00 O ATOM 902 CG2 THR A 65 13.708 -5.630 5.759 1.00 0.00 C ATOM 0 H THR A 65 12.780 -4.579 8.609 1.00 0.00 H new ATOM 0 HA THR A 65 12.489 -3.209 6.023 1.00 0.00 H new ATOM 0 HB THR A 65 11.655 -5.400 5.217 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.132 -5.940 7.653 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.791 -6.630 5.334 1.00 0.00 H new ATOM 0 HG22 THR A 65 14.046 -4.896 5.028 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.327 -5.563 6.653 1.00 0.00 H new ATOM 910 N VAL A 66 10.023 -2.855 6.124 1.00 0.00 N ATOM 911 CA VAL A 66 8.611 -2.514 6.254 1.00 0.00 C ATOM 912 C VAL A 66 7.837 -2.891 4.996 1.00 0.00 C ATOM 913 O VAL A 66 8.423 -3.112 3.936 1.00 0.00 O ATOM 914 CB VAL A 66 8.420 -1.011 6.531 1.00 0.00 C ATOM 915 CG1 VAL A 66 9.085 -0.621 7.842 1.00 0.00 C ATOM 916 CG2 VAL A 66 8.968 -0.183 5.379 1.00 0.00 C ATOM 0 H VAL A 66 10.491 -2.418 5.330 1.00 0.00 H new ATOM 0 HA VAL A 66 8.224 -3.083 7.099 1.00 0.00 H new ATOM 0 HB VAL A 66 7.353 -0.808 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.940 0.444 8.021 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.641 -1.190 8.659 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.152 -0.837 7.787 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.825 0.876 5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.032 -0.388 5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.441 -0.443 4.461 1.00 0.00 H new ATOM 926 N PHE A 67 6.516 -2.961 5.120 1.00 0.00 N ATOM 927 CA PHE A 67 5.659 -3.311 3.993 1.00 0.00 C ATOM 928 C PHE A 67 5.029 -2.064 3.381 1.00 0.00 C ATOM 929 O PHE A 67 4.191 -1.409 4.002 1.00 0.00 O ATOM 930 CB PHE A 67 4.565 -4.283 4.439 1.00 0.00 C ATOM 931 CG PHE A 67 5.045 -5.698 4.591 1.00 0.00 C ATOM 932 CD1 PHE A 67 5.479 -6.418 3.489 1.00 0.00 C ATOM 933 CD2 PHE A 67 5.063 -6.308 5.834 1.00 0.00 C ATOM 934 CE1 PHE A 67 5.921 -7.720 3.626 1.00 0.00 C ATOM 935 CE2 PHE A 67 5.504 -7.611 5.977 1.00 0.00 C ATOM 936 CZ PHE A 67 5.934 -8.317 4.871 1.00 0.00 C ATOM 0 H PHE A 67 6.015 -2.780 5.990 1.00 0.00 H new ATOM 0 HA PHE A 67 6.277 -3.793 3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.154 -3.943 5.390 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.752 -4.260 3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.472 -5.956 2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.729 -5.760 6.702 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.256 -8.271 2.759 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.512 -8.075 6.952 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.280 -9.334 4.980 1.00 0.00 H new ATOM 946 N VAL A 68 5.438 -1.740 2.158 1.00 0.00 N ATOM 947 CA VAL A 68 4.914 -0.572 1.461 1.00 0.00 C ATOM 948 C VAL A 68 4.082 -0.982 0.251 1.00 0.00 C ATOM 949 O VAL A 68 3.996 -2.163 -0.085 1.00 0.00 O ATOM 950 CB VAL A 68 6.049 0.361 0.998 1.00 0.00 C ATOM 951 CG1 VAL A 68 6.917 0.773 2.177 1.00 0.00 C ATOM 952 CG2 VAL A 68 6.885 -0.312 -0.081 1.00 0.00 C ATOM 0 H VAL A 68 6.131 -2.270 1.630 1.00 0.00 H new ATOM 0 HA VAL A 68 4.281 -0.038 2.169 1.00 0.00 H new ATOM 0 HB VAL A 68 5.605 1.261 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.713 1.432 1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.307 1.297 2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.354 -0.114 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.682 0.361 -0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.320 -1.229 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.252 -0.551 -0.936 1.00 0.00 H new ATOM 962 N CYS A 69 3.471 0.002 -0.400 1.00 0.00 N ATOM 963 CA CYS A 69 2.645 -0.255 -1.574 1.00 0.00 C ATOM 964 C CYS A 69 3.470 -0.151 -2.853 1.00 0.00 C ATOM 965 O CYS A 69 4.468 0.568 -2.904 1.00 0.00 O ATOM 966 CB CYS A 69 1.476 0.731 -1.626 1.00 0.00 C ATOM 967 SG CYS A 69 1.968 2.448 -1.986 1.00 0.00 S ATOM 0 H CYS A 69 3.532 0.985 -0.135 1.00 0.00 H new ATOM 0 HA CYS A 69 2.253 -1.269 -1.497 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.769 0.400 -2.386 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.952 0.707 -0.671 1.00 0.00 H new ATOM 972 N ALA A 70 3.046 -0.874 -3.885 1.00 0.00 N ATOM 973 CA ALA A 70 3.743 -0.862 -5.164 1.00 0.00 C ATOM 974 C ALA A 70 4.094 0.561 -5.585 1.00 0.00 C ATOM 975 O ALA A 70 5.226 0.840 -5.981 1.00 0.00 O ATOM 976 CB ALA A 70 2.896 -1.536 -6.233 1.00 0.00 C ATOM 0 H ALA A 70 2.223 -1.475 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 70 4.673 -1.419 -5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.429 -1.520 -7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.700 -2.569 -5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.951 -1.003 -6.338 1.00 0.00 H new ATOM 982 N SER A 71 3.117 1.458 -5.496 1.00 0.00 N ATOM 983 CA SER A 71 3.322 2.852 -5.872 1.00 0.00 C ATOM 984 C SER A 71 4.568 3.419 -5.198 1.00 0.00 C ATOM 985 O SER A 71 5.366 4.114 -5.827 1.00 0.00 O ATOM 986 CB SER A 71 2.098 3.689 -5.495 1.00 0.00 C ATOM 987 OG SER A 71 2.297 5.055 -5.815 1.00 0.00 O ATOM 0 H SER A 71 2.176 1.244 -5.167 1.00 0.00 H new ATOM 0 HA SER A 71 3.464 2.895 -6.952 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.220 3.313 -6.021 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.898 3.587 -4.428 1.00 0.00 H new ATOM 0 HG SER A 71 1.500 5.569 -5.566 1.00 0.00 H new ATOM 993 N CYS A 72 4.727 3.116 -3.914 1.00 0.00 N ATOM 994 CA CYS A 72 5.874 3.595 -3.152 1.00 0.00 C ATOM 995 C CYS A 72 7.115 2.760 -3.456 1.00 0.00 C ATOM 996 O CYS A 72 8.122 3.278 -3.938 1.00 0.00 O ATOM 997 CB CYS A 72 5.572 3.552 -1.653 1.00 0.00 C ATOM 998 SG CYS A 72 4.203 4.639 -1.140 1.00 0.00 S ATOM 0 H CYS A 72 4.076 2.541 -3.379 1.00 0.00 H new ATOM 0 HA CYS A 72 6.069 4.626 -3.447 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.333 2.527 -1.370 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.471 3.833 -1.104 1.00 0.00 H new ATOM 1003 N ASN A 73 7.035 1.465 -3.171 1.00 0.00 N ATOM 1004 CA ASN A 73 8.151 0.558 -3.413 1.00 0.00 C ATOM 1005 C ASN A 73 8.872 0.916 -4.708 1.00 0.00 C ATOM 1006 O ASN A 73 10.097 0.837 -4.790 1.00 0.00 O ATOM 1007 CB ASN A 73 7.655 -0.889 -3.475 1.00 0.00 C ATOM 1008 CG ASN A 73 8.766 -1.867 -3.806 1.00 0.00 C ATOM 1009 OD1 ASN A 73 9.414 -2.413 -2.913 1.00 0.00 O ATOM 1010 ND2 ASN A 73 8.991 -2.092 -5.095 1.00 0.00 N ATOM 0 H ASN A 73 6.209 1.020 -2.772 1.00 0.00 H new ATOM 0 HA ASN A 73 8.855 0.659 -2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.210 -1.159 -2.517 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.869 -0.969 -4.226 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.726 -2.740 -5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.429 -1.617 -5.801 1.00 0.00 H new ATOM 1017 N GLN A 74 8.102 1.310 -5.718 1.00 0.00 N ATOM 1018 CA GLN A 74 8.668 1.680 -7.010 1.00 0.00 C ATOM 1019 C GLN A 74 9.429 2.999 -6.913 1.00 0.00 C ATOM 1020 O GLN A 74 10.499 3.155 -7.502 1.00 0.00 O ATOM 1021 CB GLN A 74 7.563 1.792 -8.061 1.00 0.00 C ATOM 1022 CG GLN A 74 6.995 0.449 -8.492 1.00 0.00 C ATOM 1023 CD GLN A 74 7.978 -0.365 -9.309 1.00 0.00 C ATOM 1024 OE1 GLN A 74 8.934 0.173 -9.868 1.00 0.00 O ATOM 1025 NE2 GLN A 74 7.747 -1.671 -9.384 1.00 0.00 N ATOM 0 H GLN A 74 7.086 1.381 -5.666 1.00 0.00 H new ATOM 0 HA GLN A 74 9.367 0.899 -7.309 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.756 2.408 -7.664 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.957 2.309 -8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.705 -0.119 -7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.090 0.612 -9.077 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.942 -2.075 -8.905 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.374 -2.270 -9.921 1.00 0.00 H new ATOM 1034 N THR A 75 8.869 3.946 -6.166 1.00 0.00 N ATOM 1035 CA THR A 75 9.494 5.251 -5.994 1.00 0.00 C ATOM 1036 C THR A 75 10.749 5.151 -5.135 1.00 0.00 C ATOM 1037 O THR A 75 11.777 5.754 -5.446 1.00 0.00 O ATOM 1038 CB THR A 75 8.523 6.258 -5.347 1.00 0.00 C ATOM 1039 OG1 THR A 75 7.354 6.402 -6.162 1.00 0.00 O ATOM 1040 CG2 THR A 75 9.190 7.612 -5.164 1.00 0.00 C ATOM 0 H THR A 75 7.984 3.833 -5.671 1.00 0.00 H new ATOM 0 HA THR A 75 9.765 5.605 -6.989 1.00 0.00 H new ATOM 0 HB THR A 75 8.238 5.877 -4.366 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.756 5.640 -6.014 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.485 8.306 -4.706 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.063 7.504 -4.520 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.501 7.999 -6.135 1.00 0.00 H new ATOM 1048 N LEU A 76 10.661 4.385 -4.053 1.00 0.00 N ATOM 1049 CA LEU A 76 11.791 4.204 -3.149 1.00 0.00 C ATOM 1050 C LEU A 76 12.951 3.512 -3.858 1.00 0.00 C ATOM 1051 O LEU A 76 14.093 3.966 -3.789 1.00 0.00 O ATOM 1052 CB LEU A 76 11.367 3.388 -1.927 1.00 0.00 C ATOM 1053 CG LEU A 76 10.261 3.997 -1.064 1.00 0.00 C ATOM 1054 CD1 LEU A 76 9.617 2.932 -0.190 1.00 0.00 C ATOM 1055 CD2 LEU A 76 10.814 5.128 -0.209 1.00 0.00 C ATOM 0 H LEU A 76 9.818 3.879 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 76 12.124 5.189 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.036 2.407 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.244 3.229 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 76 9.496 4.407 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.833 3.385 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.185 2.156 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.371 2.491 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 76 10.013 5.550 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.599 4.742 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.227 5.904 -0.854 1.00 0.00 H new ATOM 1067 N SER A 77 12.649 2.413 -4.541 1.00 0.00 N ATOM 1068 CA SER A 77 13.667 1.658 -5.263 1.00 0.00 C ATOM 1069 C SER A 77 14.162 2.436 -6.478 1.00 0.00 C ATOM 1070 O SER A 77 15.366 2.615 -6.667 1.00 0.00 O ATOM 1071 CB SER A 77 13.110 0.303 -5.703 1.00 0.00 C ATOM 1072 OG SER A 77 14.150 -0.566 -6.117 1.00 0.00 O ATOM 0 H SER A 77 11.708 2.025 -4.610 1.00 0.00 H new ATOM 0 HA SER A 77 14.509 1.496 -4.590 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.558 -0.151 -4.880 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.403 0.445 -6.521 1.00 0.00 H new ATOM 0 HG SER A 77 13.768 -1.426 -6.392 1.00 0.00 H new ATOM 1078 N LYS A 78 13.225 2.898 -7.299 1.00 0.00 N ATOM 1079 CA LYS A 78 13.563 3.659 -8.495 1.00 0.00 C ATOM 1080 C LYS A 78 14.579 4.751 -8.177 1.00 0.00 C ATOM 1081 O LYS A 78 14.375 5.556 -7.268 1.00 0.00 O ATOM 1082 CB LYS A 78 12.304 4.281 -9.102 1.00 0.00 C ATOM 1083 CG LYS A 78 12.590 5.269 -10.219 1.00 0.00 C ATOM 1084 CD LYS A 78 11.338 5.584 -11.020 1.00 0.00 C ATOM 1085 CE LYS A 78 11.593 6.678 -12.046 1.00 0.00 C ATOM 1086 NZ LYS A 78 11.772 8.010 -11.404 1.00 0.00 N ATOM 0 H LYS A 78 12.225 2.758 -7.157 1.00 0.00 H new ATOM 0 HA LYS A 78 14.007 2.974 -9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.666 3.486 -9.487 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.744 4.787 -8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.994 6.189 -9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.353 4.860 -10.881 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.992 4.683 -11.526 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.541 5.896 -10.344 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.483 6.432 -12.626 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.758 6.721 -12.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.774 8.750 -12.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.992 8.182 -10.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.676 8.029 -10.890 1.00 0.00 H new ATOM 1100 N SER A 79 15.673 4.774 -8.932 1.00 0.00 N ATOM 1101 CA SER A 79 16.722 5.767 -8.728 1.00 0.00 C ATOM 1102 C SER A 79 16.322 7.111 -9.329 1.00 0.00 C ATOM 1103 O SER A 79 15.862 7.182 -10.468 1.00 0.00 O ATOM 1104 CB SER A 79 18.034 5.288 -9.350 1.00 0.00 C ATOM 1105 OG SER A 79 17.925 5.188 -10.759 1.00 0.00 O ATOM 0 H SER A 79 15.856 4.117 -9.690 1.00 0.00 H new ATOM 0 HA SER A 79 16.863 5.896 -7.655 1.00 0.00 H new ATOM 0 HB2 SER A 79 18.836 5.980 -9.093 1.00 0.00 H new ATOM 0 HB3 SER A 79 18.304 4.318 -8.933 1.00 0.00 H new ATOM 0 HG SER A 79 18.778 4.881 -11.132 1.00 0.00 H new ATOM 1111 N GLY A 80 16.501 8.176 -8.553 1.00 0.00 N ATOM 1112 CA GLY A 80 16.154 9.504 -9.025 1.00 0.00 C ATOM 1113 C GLY A 80 16.042 10.509 -7.895 1.00 0.00 C ATOM 1114 O GLY A 80 15.931 10.149 -6.724 1.00 0.00 O ATOM 0 H GLY A 80 16.880 8.143 -7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.908 9.843 -9.735 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.207 9.459 -9.563 1.00 0.00 H new ATOM 1118 N PRO A 81 16.073 11.804 -8.245 1.00 0.00 N ATOM 1119 CA PRO A 81 15.977 12.891 -7.267 1.00 0.00 C ATOM 1120 C PRO A 81 14.588 12.991 -6.645 1.00 0.00 C ATOM 1121 O PRO A 81 14.316 13.891 -5.852 1.00 0.00 O ATOM 1122 CB PRO A 81 16.284 14.141 -8.094 1.00 0.00 C ATOM 1123 CG PRO A 81 15.909 13.774 -9.488 1.00 0.00 C ATOM 1124 CD PRO A 81 16.203 12.306 -9.623 1.00 0.00 C ATOM 0 HA PRO A 81 16.654 12.743 -6.426 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.711 14.999 -7.743 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.338 14.412 -8.026 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.855 13.980 -9.676 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.481 14.355 -10.212 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.501 11.816 -10.297 1.00 0.00 H new ATOM 0 HD3 PRO A 81 17.202 12.131 -10.022 1.00 0.00 H new ATOM 1132 N SER A 82 13.713 12.060 -7.012 1.00 0.00 N ATOM 1133 CA SER A 82 12.350 12.045 -6.493 1.00 0.00 C ATOM 1134 C SER A 82 12.308 12.571 -5.061 1.00 0.00 C ATOM 1135 O SER A 82 13.092 12.150 -4.210 1.00 0.00 O ATOM 1136 CB SER A 82 11.777 10.627 -6.544 1.00 0.00 C ATOM 1137 OG SER A 82 11.434 10.264 -7.870 1.00 0.00 O ATOM 0 H SER A 82 13.923 11.307 -7.666 1.00 0.00 H new ATOM 0 HA SER A 82 11.742 12.698 -7.120 1.00 0.00 H new ATOM 0 HB2 SER A 82 12.507 9.922 -6.148 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.895 10.564 -5.907 1.00 0.00 H new ATOM 0 HG SER A 82 11.072 9.353 -7.877 1.00 0.00 H new ATOM 1143 N SER A 83 11.388 13.494 -4.803 1.00 0.00 N ATOM 1144 CA SER A 83 11.245 14.082 -3.476 1.00 0.00 C ATOM 1145 C SER A 83 9.778 14.131 -3.058 1.00 0.00 C ATOM 1146 O SER A 83 9.034 15.020 -3.469 1.00 0.00 O ATOM 1147 CB SER A 83 11.841 15.490 -3.452 1.00 0.00 C ATOM 1148 OG SER A 83 13.250 15.445 -3.307 1.00 0.00 O ATOM 0 H SER A 83 10.730 13.851 -5.495 1.00 0.00 H new ATOM 0 HA SER A 83 11.786 13.454 -2.768 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.584 16.013 -4.373 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.406 16.059 -2.630 1.00 0.00 H new ATOM 0 HG SER A 83 13.642 14.971 -4.070 1.00 0.00 H new ATOM 1154 N GLY A 84 9.370 13.167 -2.238 1.00 0.00 N ATOM 1155 CA GLY A 84 7.995 13.117 -1.778 1.00 0.00 C ATOM 1156 C GLY A 84 7.561 14.407 -1.110 1.00 0.00 C ATOM 1157 O GLY A 84 7.309 15.388 -1.807 1.00 0.00 O ATOM 0 H GLY A 84 9.968 12.420 -1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.339 12.911 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.879 12.291 -1.076 1.00 0.00 H new TER 1161 GLY A 84 HETATM 1162 ZN ZN A 201 -4.442 -3.597 -4.546 1.00 0.00 ZN HETATM 1163 ZN ZN A 401 2.489 3.556 -0.024 1.00 0.00 ZN