USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 819 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 Single : A 1 VAL N :NH3+ -108:sc= -1.87! (180deg=-2.41!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00766 USER MOD Single : A 4 SER OG : rot 180:sc= -0.71 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -2.32 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -122:sc= -0.072 (180deg=-0.609) USER MOD Single : A 17 SER OG : rot -32:sc= 0.159 USER MOD Single : A 21 SER OG : rot 119:sc= 0.217 USER MOD Single : A 22 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.47) USER MOD Single : A 25 HIS : no HD1:sc= -4.45! C(o=-4.4!,f=-3!) USER MOD Single : A 28 MET CE :methyl -173:sc= -3.55 (180deg=-3.67) USER MOD Single : A 30 GLN : amide:sc= -0.0246 K(o=-0.025,f=-1.8!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -2.55! K(o=-2.6!,f=-3.2) USER MOD Single : A 54 SER OG : rot -109:sc= -2.12! USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -98:sc= 1.14 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 69 ASN : amide:sc= -0.409 K(o=-0.41,f=-8.3!) USER MOD Single : A 70 SER OG : rot -140:sc= -0.281 USER MOD Single : A 78 SER OG : rot 84:sc= 1.3 USER MOD Single : A 84 ASN : amide:sc= -1.58 K(o=-1.6,f=-3.5!) USER MOD Single : A 86 ASN : amide:sc= -4.28 K(o=-4.3,f=-10!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 85:sc= -0.129 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 71:sc= 0.673 USER MOD Single : A 104 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.6!) USER MOD Single : A 106 ASN : amide:sc= -1.23 K(o=-1.2,f=-8.8!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.0155 K(o=-0.015,f=-1.6!) USER MOD Single : A 117 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.8!) USER MOD Single : A 120 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 91.137 -4.045 14.140 1.00 0.00 N ATOM 2 CA VAL A 1 90.785 -4.169 12.696 1.00 0.00 C ATOM 3 C VAL A 1 91.941 -4.826 11.941 1.00 0.00 C ATOM 4 O VAL A 1 93.100 -4.593 12.244 1.00 0.00 O ATOM 5 CB VAL A 1 90.543 -2.737 12.202 1.00 0.00 C ATOM 6 CG1 VAL A 1 89.371 -2.126 12.972 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.790 -1.890 12.433 1.00 0.00 C ATOM 0 H1 VAL A 1 90.579 -4.727 14.693 1.00 0.00 H new ATOM 0 H2 VAL A 1 92.150 -4.241 14.268 1.00 0.00 H new ATOM 0 H3 VAL A 1 90.927 -3.080 14.467 1.00 0.00 H new ATOM 0 HA VAL A 1 89.903 -4.789 12.535 1.00 0.00 H new ATOM 0 HB VAL A 1 90.315 -2.760 11.136 1.00 0.00 H new ATOM 0 HG11 VAL A 1 89.197 -1.108 12.623 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.475 -2.725 12.806 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.604 -2.109 14.037 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.611 -0.875 12.080 1.00 0.00 H new ATOM 0 HG22 VAL A 1 92.023 -1.868 13.498 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.629 -2.321 11.887 1.00 0.00 H new ATOM 17 N SER A 2 91.636 -5.669 10.990 1.00 0.00 N ATOM 18 CA SER A 2 92.716 -6.367 10.236 1.00 0.00 C ATOM 19 C SER A 2 92.771 -5.907 8.774 1.00 0.00 C ATOM 20 O SER A 2 91.767 -5.676 8.131 1.00 0.00 O ATOM 21 CB SER A 2 92.363 -7.849 10.323 1.00 0.00 C ATOM 22 OG SER A 2 91.029 -8.042 9.875 1.00 0.00 O ATOM 0 H SER A 2 90.686 -5.904 10.704 1.00 0.00 H new ATOM 0 HA SER A 2 93.699 -6.150 10.653 1.00 0.00 H new ATOM 0 HB2 SER A 2 93.051 -8.435 9.714 1.00 0.00 H new ATOM 0 HB3 SER A 2 92.468 -8.200 11.350 1.00 0.00 H new ATOM 0 HG SER A 2 90.800 -8.993 9.928 1.00 0.00 H new ATOM 28 N ILE A 3 93.964 -5.789 8.262 1.00 0.00 N ATOM 29 CA ILE A 3 94.174 -5.361 6.848 1.00 0.00 C ATOM 30 C ILE A 3 94.918 -6.451 6.078 1.00 0.00 C ATOM 31 O ILE A 3 95.712 -7.184 6.638 1.00 0.00 O ATOM 32 CB ILE A 3 95.041 -4.098 6.934 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.354 -4.400 7.667 1.00 0.00 C ATOM 34 CG2 ILE A 3 94.280 -3.006 7.684 1.00 0.00 C ATOM 35 CD1 ILE A 3 97.336 -3.251 7.436 1.00 0.00 C ATOM 0 H ILE A 3 94.825 -5.976 8.777 1.00 0.00 H new ATOM 0 HA ILE A 3 93.232 -5.178 6.331 1.00 0.00 H new ATOM 0 HB ILE A 3 95.270 -3.760 5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.168 -4.526 8.734 1.00 0.00 H new ATOM 0 HG13 ILE A 3 96.779 -5.336 7.305 1.00 0.00 H new ATOM 0 HG21 ILE A 3 94.896 -2.109 7.745 1.00 0.00 H new ATOM 0 HG22 ILE A 3 93.356 -2.776 7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.044 -3.353 8.690 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.271 -3.461 7.955 1.00 0.00 H new ATOM 0 HD12 ILE A 3 97.529 -3.147 6.368 1.00 0.00 H new ATOM 0 HD13 ILE A 3 96.909 -2.324 7.819 1.00 0.00 H new ATOM 47 N SER A 4 94.678 -6.554 4.799 1.00 0.00 N ATOM 48 CA SER A 4 95.373 -7.581 3.977 1.00 0.00 C ATOM 49 C SER A 4 95.636 -7.007 2.586 1.00 0.00 C ATOM 50 O SER A 4 95.389 -5.841 2.335 1.00 0.00 O ATOM 51 CB SER A 4 94.406 -8.760 3.903 1.00 0.00 C ATOM 52 OG SER A 4 94.479 -9.504 5.112 1.00 0.00 O ATOM 0 H SER A 4 94.024 -5.964 4.285 1.00 0.00 H new ATOM 0 HA SER A 4 96.332 -7.884 4.397 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.389 -8.402 3.744 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.656 -9.397 3.055 1.00 0.00 H new ATOM 0 HG SER A 4 93.858 -10.261 5.068 1.00 0.00 H new ATOM 58 N TYR A 5 96.114 -7.812 1.679 1.00 0.00 N ATOM 59 CA TYR A 5 96.371 -7.311 0.298 1.00 0.00 C ATOM 60 C TYR A 5 95.965 -8.380 -0.716 1.00 0.00 C ATOM 61 O TYR A 5 96.072 -9.563 -0.451 1.00 0.00 O ATOM 62 CB TYR A 5 97.877 -7.022 0.243 1.00 0.00 C ATOM 63 CG TYR A 5 98.671 -8.270 0.562 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.979 -8.580 1.893 1.00 0.00 C ATOM 65 CD2 TYR A 5 99.117 -9.103 -0.471 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.728 -9.723 2.190 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.865 -10.248 -0.173 1.00 0.00 C ATOM 68 CZ TYR A 5 100.171 -10.558 1.158 1.00 0.00 C ATOM 69 OH TYR A 5 100.913 -11.684 1.451 1.00 0.00 O ATOM 0 H TYR A 5 96.338 -8.795 1.833 1.00 0.00 H new ATOM 0 HA TYR A 5 95.797 -6.416 0.058 1.00 0.00 H new ATOM 0 HB2 TYR A 5 98.147 -6.656 -0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 5 98.128 -6.234 0.953 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.638 -7.936 2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.884 -8.862 -1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.965 -9.961 3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 5 100.206 -10.892 -0.970 1.00 0.00 H new ATOM 0 HH TYR A 5 101.139 -12.152 0.620 1.00 0.00 H new ATOM 79 N ASP A 6 95.498 -7.977 -1.873 1.00 0.00 N ATOM 80 CA ASP A 6 95.083 -8.981 -2.894 1.00 0.00 C ATOM 81 C ASP A 6 95.542 -8.555 -4.297 1.00 0.00 C ATOM 82 O ASP A 6 95.586 -7.378 -4.596 1.00 0.00 O ATOM 83 CB ASP A 6 93.557 -9.008 -2.823 1.00 0.00 C ATOM 84 CG ASP A 6 93.115 -9.974 -1.721 1.00 0.00 C ATOM 85 OD1 ASP A 6 93.569 -11.106 -1.736 1.00 0.00 O1- ATOM 86 OD2 ASP A 6 92.327 -9.566 -0.884 1.00 0.00 O ATOM 0 H ASP A 6 95.388 -7.002 -2.151 1.00 0.00 H new ATOM 0 HA ASP A 6 95.525 -9.959 -2.703 1.00 0.00 H new ATOM 0 HB2 ASP A 6 93.174 -8.008 -2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 6 93.143 -9.319 -3.782 1.00 0.00 H new ATOM 91 N PRO A 7 95.850 -9.530 -5.132 1.00 0.00 N ATOM 92 CA PRO A 7 96.278 -9.219 -6.520 1.00 0.00 C ATOM 93 C PRO A 7 95.071 -8.784 -7.373 1.00 0.00 C ATOM 94 O PRO A 7 95.220 -8.377 -8.509 1.00 0.00 O ATOM 95 CB PRO A 7 96.845 -10.542 -7.026 1.00 0.00 C ATOM 96 CG PRO A 7 96.168 -11.596 -6.209 1.00 0.00 C ATOM 97 CD PRO A 7 95.835 -10.981 -4.876 1.00 0.00 C ATOM 0 HA PRO A 7 96.998 -8.402 -6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 7 96.643 -10.677 -8.089 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.927 -10.581 -6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 7 95.264 -11.947 -6.707 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.819 -12.461 -6.082 1.00 0.00 H new ATOM 0 HD2 PRO A 7 94.860 -11.312 -4.517 1.00 0.00 H new ATOM 0 HD3 PRO A 7 96.565 -11.259 -4.116 1.00 0.00 H new ATOM 105 N ILE A 8 93.879 -8.866 -6.827 1.00 0.00 N ATOM 106 CA ILE A 8 92.657 -8.462 -7.584 1.00 0.00 C ATOM 107 C ILE A 8 92.677 -6.961 -7.905 1.00 0.00 C ATOM 108 O ILE A 8 91.944 -6.503 -8.763 1.00 0.00 O ATOM 109 CB ILE A 8 91.486 -8.825 -6.663 1.00 0.00 C ATOM 110 CG1 ILE A 8 90.168 -8.526 -7.370 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.564 -8.012 -5.367 1.00 0.00 C ATOM 112 CD1 ILE A 8 89.944 -9.541 -8.496 1.00 0.00 C ATOM 0 H ILE A 8 93.703 -9.199 -5.879 1.00 0.00 H new ATOM 0 HA ILE A 8 92.584 -8.967 -8.547 1.00 0.00 H new ATOM 0 HB ILE A 8 91.541 -9.887 -6.423 1.00 0.00 H new ATOM 0 HG12 ILE A 8 89.344 -8.571 -6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 8 90.184 -7.515 -7.777 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.728 -8.277 -4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 8 92.502 -8.231 -4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 8 91.518 -6.948 -5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 8 89.002 -9.324 -8.999 1.00 0.00 H new ATOM 0 HD12 ILE A 8 90.762 -9.475 -9.214 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.909 -10.547 -8.078 1.00 0.00 H new ATOM 124 N TYR A 9 93.515 -6.195 -7.251 1.00 0.00 N ATOM 125 CA TYR A 9 93.580 -4.736 -7.559 1.00 0.00 C ATOM 126 C TYR A 9 94.918 -4.377 -8.204 1.00 0.00 C ATOM 127 O TYR A 9 95.738 -3.668 -7.661 1.00 0.00 O ATOM 128 CB TYR A 9 93.339 -3.990 -6.249 1.00 0.00 C ATOM 129 CG TYR A 9 91.940 -4.279 -5.766 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.845 -3.990 -6.589 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.738 -4.841 -4.501 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.547 -4.261 -6.146 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.437 -5.113 -4.059 1.00 0.00 C ATOM 134 CZ TYR A 9 89.342 -4.823 -4.882 1.00 0.00 C ATOM 135 OH TYR A 9 88.059 -5.097 -4.450 1.00 0.00 O ATOM 0 H TYR A 9 94.152 -6.516 -6.522 1.00 0.00 H new ATOM 0 HA TYR A 9 92.819 -4.449 -8.284 1.00 0.00 H new ATOM 0 HB2 TYR A 9 94.067 -4.301 -5.500 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.472 -2.918 -6.397 1.00 0.00 H new ATOM 0 HD1 TYR A 9 91.003 -3.558 -7.566 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.583 -5.065 -3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.702 -4.036 -6.780 1.00 0.00 H new ATOM 0 HE2 TYR A 9 90.278 -5.547 -3.083 1.00 0.00 H new ATOM 0 HH TYR A 9 88.093 -5.486 -3.551 1.00 0.00 H new ATOM 145 N ALA A 10 95.080 -4.845 -9.415 1.00 0.00 N ATOM 146 CA ALA A 10 96.292 -4.547 -10.229 1.00 0.00 C ATOM 147 C ALA A 10 95.905 -3.544 -11.318 1.00 0.00 C ATOM 148 O ALA A 10 94.750 -3.200 -11.481 1.00 0.00 O ATOM 149 CB ALA A 10 96.747 -5.879 -10.824 1.00 0.00 C ATOM 0 H ALA A 10 94.399 -5.440 -9.886 1.00 0.00 H new ATOM 0 HA ALA A 10 97.101 -4.109 -9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.637 -5.720 -11.434 1.00 0.00 H new ATOM 0 HB2 ALA A 10 96.978 -6.577 -10.019 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.951 -6.291 -11.444 1.00 0.00 H new ATOM 155 N ALA A 11 96.883 -3.014 -12.002 1.00 0.00 N ATOM 156 CA ALA A 11 96.618 -1.955 -13.024 1.00 0.00 C ATOM 157 C ALA A 11 95.689 -2.404 -14.156 1.00 0.00 C ATOM 158 O ALA A 11 94.978 -1.580 -14.705 1.00 0.00 O ATOM 159 CB ALA A 11 97.990 -1.577 -13.584 1.00 0.00 C ATOM 0 H ALA A 11 97.865 -3.271 -11.897 1.00 0.00 H new ATOM 0 HA ALA A 11 96.099 -1.118 -12.556 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.873 -0.802 -14.342 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.622 -1.204 -12.778 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.455 -2.455 -14.032 1.00 0.00 H new ATOM 165 N ASP A 12 95.696 -3.655 -14.566 1.00 0.00 N ATOM 166 CA ASP A 12 94.811 -4.029 -15.718 1.00 0.00 C ATOM 167 C ASP A 12 93.414 -4.468 -15.257 1.00 0.00 C ATOM 168 O ASP A 12 92.638 -4.990 -16.035 1.00 0.00 O ATOM 169 CB ASP A 12 95.536 -5.156 -16.451 1.00 0.00 C ATOM 170 CG ASP A 12 96.784 -4.610 -17.158 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.836 -3.415 -17.403 1.00 0.00 O ATOM 172 OD2 ASP A 12 97.668 -5.402 -17.444 1.00 0.00 O1- ATOM 0 H ASP A 12 96.256 -4.409 -14.168 1.00 0.00 H new ATOM 0 HA ASP A 12 94.640 -3.172 -16.369 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.821 -5.935 -15.744 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.868 -5.615 -17.179 1.00 0.00 H new ATOM 177 N LEU A 13 93.085 -4.253 -14.012 1.00 0.00 N ATOM 178 CA LEU A 13 91.737 -4.645 -13.501 1.00 0.00 C ATOM 179 C LEU A 13 90.671 -3.713 -14.073 1.00 0.00 C ATOM 180 O LEU A 13 90.767 -2.505 -13.951 1.00 0.00 O ATOM 181 CB LEU A 13 91.820 -4.465 -11.982 1.00 0.00 C ATOM 182 CG LEU A 13 90.489 -4.870 -11.341 1.00 0.00 C ATOM 183 CD1 LEU A 13 90.344 -6.393 -11.385 1.00 0.00 C ATOM 184 CD2 LEU A 13 90.452 -4.385 -9.887 1.00 0.00 C ATOM 0 H LEU A 13 93.696 -3.819 -13.320 1.00 0.00 H new ATOM 0 HA LEU A 13 91.471 -5.664 -13.784 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.629 -5.073 -11.578 1.00 0.00 H new ATOM 0 HB3 LEU A 13 92.050 -3.427 -11.741 1.00 0.00 H new ATOM 0 HG LEU A 13 89.665 -4.415 -11.891 1.00 0.00 H new ATOM 0 HD11 LEU A 13 89.397 -6.682 -10.929 1.00 0.00 H new ATOM 0 HD12 LEU A 13 90.366 -6.731 -12.421 1.00 0.00 H new ATOM 0 HD13 LEU A 13 91.166 -6.853 -10.836 1.00 0.00 H new ATOM 0 HD21 LEU A 13 89.505 -4.673 -9.431 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.274 -4.837 -9.332 1.00 0.00 H new ATOM 0 HD23 LEU A 13 90.551 -3.300 -9.863 1.00 0.00 H new ATOM 196 N SER A 14 89.655 -4.264 -14.685 1.00 0.00 N ATOM 197 CA SER A 14 88.583 -3.399 -15.249 1.00 0.00 C ATOM 198 C SER A 14 87.776 -2.785 -14.104 1.00 0.00 C ATOM 199 O SER A 14 87.460 -3.439 -13.127 1.00 0.00 O ATOM 200 CB SER A 14 87.719 -4.311 -16.120 1.00 0.00 C ATOM 201 OG SER A 14 86.992 -5.205 -15.285 1.00 0.00 O ATOM 0 H SER A 14 89.524 -5.267 -14.817 1.00 0.00 H new ATOM 0 HA SER A 14 88.979 -2.574 -15.842 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.032 -3.715 -16.721 1.00 0.00 H new ATOM 0 HB3 SER A 14 88.346 -4.871 -16.814 1.00 0.00 H new ATOM 0 HG SER A 14 86.435 -5.791 -15.839 1.00 0.00 H new ATOM 207 N MET A 15 87.470 -1.524 -14.214 1.00 0.00 N ATOM 208 CA MET A 15 86.710 -0.822 -13.131 1.00 0.00 C ATOM 209 C MET A 15 85.293 -1.391 -12.967 1.00 0.00 C ATOM 210 O MET A 15 84.633 -1.126 -11.979 1.00 0.00 O ATOM 211 CB MET A 15 86.651 0.646 -13.566 1.00 0.00 C ATOM 212 CG MET A 15 88.071 1.210 -13.666 1.00 0.00 C ATOM 213 SD MET A 15 88.806 1.300 -12.014 1.00 0.00 S ATOM 214 CE MET A 15 87.910 2.766 -11.447 1.00 0.00 C ATOM 0 H MET A 15 87.714 -0.940 -15.014 1.00 0.00 H new ATOM 0 HA MET A 15 87.197 -0.950 -12.164 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.147 0.730 -14.529 1.00 0.00 H new ATOM 0 HB3 MET A 15 86.069 1.225 -12.849 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.680 0.577 -14.312 1.00 0.00 H new ATOM 0 HG3 MET A 15 88.049 2.201 -14.120 1.00 0.00 H new ATOM 0 HE1 MET A 15 88.622 3.541 -11.164 1.00 0.00 H new ATOM 0 HE2 MET A 15 87.271 3.135 -12.250 1.00 0.00 H new ATOM 0 HE3 MET A 15 87.296 2.506 -10.585 1.00 0.00 H new ATOM 224 N GLY A 16 84.810 -2.151 -13.919 1.00 0.00 N ATOM 225 CA GLY A 16 83.429 -2.711 -13.812 1.00 0.00 C ATOM 226 C GLY A 16 83.387 -3.910 -12.859 1.00 0.00 C ATOM 227 O GLY A 16 82.319 -4.363 -12.490 1.00 0.00 O ATOM 0 H GLY A 16 85.315 -2.408 -14.767 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.747 -1.938 -13.458 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.080 -3.016 -14.799 1.00 0.00 H new ATOM 231 N SER A 17 84.519 -4.445 -12.473 1.00 0.00 N ATOM 232 CA SER A 17 84.513 -5.631 -11.567 1.00 0.00 C ATOM 233 C SER A 17 84.431 -5.223 -10.088 1.00 0.00 C ATOM 234 O SER A 17 84.298 -6.071 -9.224 1.00 0.00 O ATOM 235 CB SER A 17 85.827 -6.350 -11.850 1.00 0.00 C ATOM 236 OG SER A 17 85.827 -7.610 -11.192 1.00 0.00 O ATOM 0 H SER A 17 85.444 -4.112 -12.746 1.00 0.00 H new ATOM 0 HA SER A 17 83.643 -6.261 -11.749 1.00 0.00 H new ATOM 0 HB2 SER A 17 85.955 -6.488 -12.924 1.00 0.00 H new ATOM 0 HB3 SER A 17 86.666 -5.747 -11.504 1.00 0.00 H new ATOM 0 HG SER A 17 85.313 -7.545 -10.360 1.00 0.00 H new ATOM 242 N VAL A 18 84.522 -3.951 -9.779 1.00 0.00 N ATOM 243 CA VAL A 18 84.463 -3.531 -8.346 1.00 0.00 C ATOM 244 C VAL A 18 83.070 -2.984 -7.998 1.00 0.00 C ATOM 245 O VAL A 18 82.251 -2.744 -8.865 1.00 0.00 O ATOM 246 CB VAL A 18 85.544 -2.448 -8.212 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.222 -1.259 -9.129 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.620 -1.973 -6.761 1.00 0.00 C ATOM 0 H VAL A 18 84.634 -3.193 -10.452 1.00 0.00 H new ATOM 0 HA VAL A 18 84.637 -4.360 -7.660 1.00 0.00 H new ATOM 0 HB VAL A 18 86.505 -2.871 -8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 18 85.996 -0.499 -9.024 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.184 -1.598 -10.164 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.257 -0.835 -8.850 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.388 -1.205 -6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.656 -1.560 -6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 18 85.870 -2.815 -6.115 1.00 0.00 H new ATOM 258 N ALA A 19 82.805 -2.788 -6.730 1.00 0.00 N ATOM 259 CA ALA A 19 81.468 -2.258 -6.308 1.00 0.00 C ATOM 260 C ALA A 19 81.230 -0.884 -6.939 1.00 0.00 C ATOM 261 O ALA A 19 80.156 -0.602 -7.428 1.00 0.00 O ATOM 262 CB ALA A 19 81.539 -2.149 -4.779 1.00 0.00 C ATOM 0 H ALA A 19 83.456 -2.972 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 19 80.648 -2.902 -6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.592 -1.766 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.731 -3.134 -4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.344 -1.469 -4.500 1.00 0.00 H new ATOM 268 N CYS A 20 82.235 -0.042 -6.952 1.00 0.00 N ATOM 269 CA CYS A 20 82.087 1.307 -7.579 1.00 0.00 C ATOM 270 C CYS A 20 82.273 1.157 -9.094 1.00 0.00 C ATOM 271 O CYS A 20 83.262 1.578 -9.662 1.00 0.00 O ATOM 272 CB CYS A 20 83.206 2.162 -6.966 1.00 0.00 C ATOM 273 SG CYS A 20 82.529 3.731 -6.361 1.00 0.00 S ATOM 0 H CYS A 20 83.154 -0.233 -6.554 1.00 0.00 H new ATOM 0 HA CYS A 20 81.112 1.763 -7.405 1.00 0.00 H new ATOM 0 HB2 CYS A 20 83.680 1.621 -6.147 1.00 0.00 H new ATOM 0 HB3 CYS A 20 83.978 2.353 -7.711 1.00 0.00 H new ATOM 278 N SER A 21 81.319 0.543 -9.739 1.00 0.00 N ATOM 279 CA SER A 21 81.403 0.331 -11.210 1.00 0.00 C ATOM 280 C SER A 21 80.709 1.479 -11.935 1.00 0.00 C ATOM 281 O SER A 21 81.350 2.353 -12.489 1.00 0.00 O ATOM 282 CB SER A 21 80.684 -1.000 -11.464 1.00 0.00 C ATOM 283 OG SER A 21 79.575 -1.122 -10.582 1.00 0.00 O ATOM 0 H SER A 21 80.474 0.175 -9.302 1.00 0.00 H new ATOM 0 HA SER A 21 82.430 0.302 -11.574 1.00 0.00 H new ATOM 0 HB2 SER A 21 80.345 -1.050 -12.499 1.00 0.00 H new ATOM 0 HB3 SER A 21 81.373 -1.831 -11.314 1.00 0.00 H new ATOM 0 HG SER A 21 78.748 -1.192 -11.104 1.00 0.00 H new ATOM 289 N ASN A 22 79.406 1.485 -11.924 1.00 0.00 N ATOM 290 CA ASN A 22 78.658 2.576 -12.597 1.00 0.00 C ATOM 291 C ASN A 22 77.614 3.137 -11.630 1.00 0.00 C ATOM 292 O ASN A 22 77.380 2.584 -10.571 1.00 0.00 O ATOM 293 CB ASN A 22 77.989 1.919 -13.803 1.00 0.00 C ATOM 294 CG ASN A 22 77.464 3.000 -14.749 1.00 0.00 C ATOM 295 OD1 ASN A 22 76.294 3.327 -14.728 1.00 0.00 O ATOM 296 ND2 ASN A 22 78.286 3.571 -15.586 1.00 0.00 N ATOM 0 H ASN A 22 78.826 0.776 -11.475 1.00 0.00 H new ATOM 0 HA ASN A 22 79.297 3.404 -12.904 1.00 0.00 H new ATOM 0 HB2 ASN A 22 78.702 1.280 -14.324 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.170 1.280 -13.474 1.00 0.00 H new ATOM 0 HD21 ASN A 22 77.946 4.292 -16.223 1.00 0.00 H new ATOM 0 HD22 ASN A 22 79.268 3.297 -15.604 1.00 0.00 H new ATOM 303 N GLY A 23 77.002 4.233 -11.980 1.00 0.00 N ATOM 304 CA GLY A 23 75.987 4.843 -11.077 1.00 0.00 C ATOM 305 C GLY A 23 76.422 6.263 -10.726 1.00 0.00 C ATOM 306 O GLY A 23 77.065 6.936 -11.510 1.00 0.00 O ATOM 0 H GLY A 23 77.161 4.734 -12.854 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.011 4.858 -11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 23 75.883 4.247 -10.171 1.00 0.00 H new ATOM 310 N ASP A 24 76.074 6.722 -9.554 1.00 0.00 N ATOM 311 CA ASP A 24 76.462 8.104 -9.136 1.00 0.00 C ATOM 312 C ASP A 24 77.955 8.179 -8.802 1.00 0.00 C ATOM 313 O ASP A 24 78.630 9.118 -9.184 1.00 0.00 O ATOM 314 CB ASP A 24 75.624 8.391 -7.890 1.00 0.00 C ATOM 315 CG ASP A 24 75.774 9.862 -7.479 1.00 0.00 C ATOM 316 OD1 ASP A 24 76.758 10.474 -7.864 1.00 0.00 O ATOM 317 OD2 ASP A 24 74.898 10.351 -6.786 1.00 0.00 O1- ATOM 0 H ASP A 24 75.535 6.198 -8.864 1.00 0.00 H new ATOM 0 HA ASP A 24 76.286 8.829 -9.931 1.00 0.00 H new ATOM 0 HB2 ASP A 24 74.576 8.166 -8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 24 75.940 7.743 -7.073 1.00 0.00 H new ATOM 322 N HIS A 25 78.474 7.217 -8.080 1.00 0.00 N ATOM 323 CA HIS A 25 79.928 7.261 -7.710 1.00 0.00 C ATOM 324 C HIS A 25 80.754 6.386 -8.656 1.00 0.00 C ATOM 325 O HIS A 25 81.927 6.159 -8.421 1.00 0.00 O ATOM 326 CB HIS A 25 80.039 6.701 -6.283 1.00 0.00 C ATOM 327 CG HIS A 25 78.968 7.274 -5.396 1.00 0.00 C ATOM 328 ND1 HIS A 25 79.044 8.544 -4.846 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.782 6.748 -4.968 1.00 0.00 C ATOM 330 CE1 HIS A 25 77.925 8.737 -4.123 1.00 0.00 C ATOM 331 NE2 HIS A 25 77.120 7.671 -4.164 1.00 0.00 N ATOM 0 H HIS A 25 77.961 6.407 -7.732 1.00 0.00 H new ATOM 0 HA HIS A 25 80.305 8.281 -7.778 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.954 5.615 -6.307 1.00 0.00 H new ATOM 0 HB3 HIS A 25 81.021 6.935 -5.872 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.414 5.764 -5.216 1.00 0.00 H new ATOM 0 HE1 HIS A 25 77.705 9.642 -3.577 1.00 0.00 H new ATOM 0 HE2 HIS A 25 76.216 7.558 -3.705 1.00 0.00 H new ATOM 339 N GLY A 26 80.166 5.885 -9.720 1.00 0.00 N ATOM 340 CA GLY A 26 80.937 5.020 -10.666 1.00 0.00 C ATOM 341 C GLY A 26 82.181 5.763 -11.146 1.00 0.00 C ATOM 342 O GLY A 26 82.114 6.891 -11.596 1.00 0.00 O ATOM 0 H GLY A 26 79.189 6.039 -9.971 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.224 4.091 -10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.312 4.749 -11.517 1.00 0.00 H new ATOM 346 N LEU A 27 83.308 5.120 -11.061 1.00 0.00 N ATOM 347 CA LEU A 27 84.576 5.757 -11.522 1.00 0.00 C ATOM 348 C LEU A 27 84.950 5.245 -12.923 1.00 0.00 C ATOM 349 O LEU A 27 85.902 5.706 -13.521 1.00 0.00 O ATOM 350 CB LEU A 27 85.621 5.351 -10.481 1.00 0.00 C ATOM 351 CG LEU A 27 85.241 5.955 -9.124 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.187 5.434 -8.039 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.347 7.481 -9.198 1.00 0.00 C ATOM 0 H LEU A 27 83.410 4.175 -10.690 1.00 0.00 H new ATOM 0 HA LEU A 27 84.495 6.841 -11.605 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.675 4.265 -10.407 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.608 5.699 -10.784 1.00 0.00 H new ATOM 0 HG LEU A 27 84.218 5.668 -8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 27 85.911 5.867 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 27 86.113 4.348 -7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.211 5.715 -8.284 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.077 7.912 -8.234 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.370 7.763 -9.448 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.670 7.856 -9.965 1.00 0.00 H new ATOM 365 N MET A 28 84.198 4.306 -13.457 1.00 0.00 N ATOM 366 CA MET A 28 84.495 3.781 -14.822 1.00 0.00 C ATOM 367 C MET A 28 84.382 4.909 -15.849 1.00 0.00 C ATOM 368 O MET A 28 85.121 4.963 -16.813 1.00 0.00 O ATOM 369 CB MET A 28 83.429 2.712 -15.091 1.00 0.00 C ATOM 370 CG MET A 28 83.662 2.085 -16.468 1.00 0.00 C ATOM 371 SD MET A 28 82.401 0.825 -16.782 1.00 0.00 S ATOM 372 CE MET A 28 83.154 -0.494 -15.801 1.00 0.00 C ATOM 0 H MET A 28 83.390 3.883 -13.000 1.00 0.00 H new ATOM 0 HA MET A 28 85.503 3.373 -14.893 1.00 0.00 H new ATOM 0 HB2 MET A 28 83.469 1.943 -14.319 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.435 3.157 -15.047 1.00 0.00 H new ATOM 0 HG2 MET A 28 83.623 2.853 -17.240 1.00 0.00 H new ATOM 0 HG3 MET A 28 84.655 1.639 -16.512 1.00 0.00 H new ATOM 0 HE1 MET A 28 82.600 -1.421 -15.952 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.189 -0.635 -16.114 1.00 0.00 H new ATOM 0 HE3 MET A 28 83.127 -0.223 -14.746 1.00 0.00 H new ATOM 382 N ALA A 29 83.425 5.783 -15.667 1.00 0.00 N ATOM 383 CA ALA A 29 83.210 6.892 -16.650 1.00 0.00 C ATOM 384 C ALA A 29 84.500 7.682 -16.920 1.00 0.00 C ATOM 385 O ALA A 29 85.100 7.551 -17.971 1.00 0.00 O ATOM 386 CB ALA A 29 82.155 7.797 -16.012 1.00 0.00 C ATOM 0 H ALA A 29 82.780 5.777 -14.877 1.00 0.00 H new ATOM 0 HA ALA A 29 82.894 6.499 -17.616 1.00 0.00 H new ATOM 0 HB1 ALA A 29 81.945 8.635 -16.676 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.240 7.228 -15.845 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.527 8.174 -15.059 1.00 0.00 H new ATOM 392 N GLN A 30 84.926 8.505 -15.990 1.00 0.00 N ATOM 393 CA GLN A 30 86.175 9.306 -16.211 1.00 0.00 C ATOM 394 C GLN A 30 87.405 8.402 -16.192 1.00 0.00 C ATOM 395 O GLN A 30 88.333 8.576 -16.959 1.00 0.00 O ATOM 396 CB GLN A 30 86.242 10.283 -15.041 1.00 0.00 C ATOM 397 CG GLN A 30 85.141 11.326 -15.182 1.00 0.00 C ATOM 398 CD GLN A 30 85.062 12.171 -13.906 1.00 0.00 C ATOM 399 OE1 GLN A 30 85.595 11.799 -12.878 1.00 0.00 O ATOM 400 NE2 GLN A 30 84.411 13.301 -13.927 1.00 0.00 N ATOM 0 H GLN A 30 84.466 8.657 -15.092 1.00 0.00 H new ATOM 0 HA GLN A 30 86.157 9.812 -17.176 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.130 9.746 -14.099 1.00 0.00 H new ATOM 0 HB3 GLN A 30 87.217 10.770 -15.016 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.341 11.966 -16.041 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.185 10.836 -15.365 1.00 0.00 H new ATOM 0 HE21 GLN A 30 83.963 13.616 -14.788 1.00 0.00 H new ATOM 0 HE22 GLN A 30 84.350 13.870 -13.083 1.00 0.00 H new ATOM 409 N TYR A 31 87.420 7.455 -15.295 1.00 0.00 N ATOM 410 CA TYR A 31 88.594 6.541 -15.180 1.00 0.00 C ATOM 411 C TYR A 31 88.139 5.094 -15.410 1.00 0.00 C ATOM 412 O TYR A 31 87.828 4.397 -14.465 1.00 0.00 O ATOM 413 CB TYR A 31 89.109 6.717 -13.741 1.00 0.00 C ATOM 414 CG TYR A 31 89.334 8.186 -13.440 1.00 0.00 C ATOM 415 CD1 TYR A 31 90.548 8.798 -13.772 1.00 0.00 C ATOM 416 CD2 TYR A 31 88.318 8.932 -12.831 1.00 0.00 C ATOM 417 CE1 TYR A 31 90.745 10.157 -13.493 1.00 0.00 C ATOM 418 CE2 TYR A 31 88.516 10.289 -12.553 1.00 0.00 C ATOM 419 CZ TYR A 31 89.730 10.901 -12.884 1.00 0.00 C ATOM 420 OH TYR A 31 89.924 12.240 -12.611 1.00 0.00 O ATOM 0 H TYR A 31 86.666 7.273 -14.633 1.00 0.00 H new ATOM 0 HA TYR A 31 89.369 6.765 -15.913 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.390 6.300 -13.036 1.00 0.00 H new ATOM 0 HB3 TYR A 31 90.040 6.165 -13.610 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.332 8.224 -14.243 1.00 0.00 H new ATOM 0 HD2 TYR A 31 87.381 8.460 -12.576 1.00 0.00 H new ATOM 0 HE1 TYR A 31 91.682 10.630 -13.749 1.00 0.00 H new ATOM 0 HE2 TYR A 31 87.732 10.864 -12.083 1.00 0.00 H new ATOM 0 HH TYR A 31 89.120 12.608 -12.188 1.00 0.00 H new ATOM 430 N PRO A 32 88.098 4.681 -16.659 1.00 0.00 N ATOM 431 CA PRO A 32 87.654 3.300 -16.970 1.00 0.00 C ATOM 432 C PRO A 32 88.684 2.267 -16.494 1.00 0.00 C ATOM 433 O PRO A 32 88.410 1.082 -16.471 1.00 0.00 O ATOM 434 CB PRO A 32 87.522 3.296 -18.492 1.00 0.00 C ATOM 435 CG PRO A 32 88.431 4.385 -18.960 1.00 0.00 C ATOM 436 CD PRO A 32 88.455 5.430 -17.876 1.00 0.00 C ATOM 0 HA PRO A 32 86.724 3.032 -16.469 1.00 0.00 H new ATOM 0 HB2 PRO A 32 87.812 2.332 -18.911 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.493 3.481 -18.800 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.433 3.998 -19.146 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.074 4.810 -19.898 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.438 5.892 -17.787 1.00 0.00 H new ATOM 0 HD3 PRO A 32 87.743 6.231 -18.076 1.00 0.00 H new ATOM 444 N THR A 33 89.863 2.700 -16.109 1.00 0.00 N ATOM 445 CA THR A 33 90.897 1.735 -15.633 1.00 0.00 C ATOM 446 C THR A 33 91.475 2.201 -14.292 1.00 0.00 C ATOM 447 O THR A 33 91.680 3.379 -14.067 1.00 0.00 O ATOM 448 CB THR A 33 91.975 1.740 -16.713 1.00 0.00 C ATOM 449 OG1 THR A 33 91.370 1.557 -17.986 1.00 0.00 O ATOM 450 CG2 THR A 33 92.962 0.602 -16.449 1.00 0.00 C ATOM 0 H THR A 33 90.150 3.679 -16.105 1.00 0.00 H new ATOM 0 HA THR A 33 90.488 0.737 -15.474 1.00 0.00 H new ATOM 0 HB THR A 33 92.504 2.693 -16.696 1.00 0.00 H new ATOM 0 HG1 THR A 33 92.061 1.562 -18.680 1.00 0.00 H new ATOM 0 HG21 THR A 33 93.733 0.603 -17.219 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.425 0.741 -15.472 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.432 -0.351 -16.467 1.00 0.00 H new ATOM 458 N LEU A 34 91.728 1.278 -13.402 1.00 0.00 N ATOM 459 CA LEU A 34 92.287 1.643 -12.061 1.00 0.00 C ATOM 460 C LEU A 34 93.733 2.128 -12.197 1.00 0.00 C ATOM 461 O LEU A 34 94.598 1.377 -12.608 1.00 0.00 O ATOM 462 CB LEU A 34 92.265 0.330 -11.268 1.00 0.00 C ATOM 463 CG LEU A 34 92.743 0.581 -9.835 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.683 1.385 -9.072 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.982 -0.763 -9.135 1.00 0.00 C ATOM 0 H LEU A 34 91.571 0.280 -13.545 1.00 0.00 H new ATOM 0 HA LEU A 34 91.719 2.442 -11.584 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.256 -0.082 -11.258 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.906 -0.408 -11.751 1.00 0.00 H new ATOM 0 HG LEU A 34 93.674 1.148 -9.855 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.025 1.563 -8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.521 2.340 -9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.748 0.825 -9.049 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.322 -0.586 -8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 34 92.053 -1.333 -9.114 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.741 -1.326 -9.678 1.00 0.00 H new ATOM 477 N GLY A 35 94.015 3.358 -11.850 1.00 0.00 N ATOM 478 CA GLY A 35 95.424 3.857 -11.958 1.00 0.00 C ATOM 479 C GLY A 35 95.458 5.381 -12.128 1.00 0.00 C ATOM 480 O GLY A 35 96.325 5.910 -12.799 1.00 0.00 O ATOM 0 H GLY A 35 93.338 4.035 -11.499 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.982 3.575 -11.065 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.917 3.382 -12.806 1.00 0.00 H new ATOM 484 N GLU A 36 94.533 6.094 -11.528 1.00 0.00 N ATOM 485 CA GLU A 36 94.531 7.579 -11.662 1.00 0.00 C ATOM 486 C GLU A 36 93.725 8.222 -10.530 1.00 0.00 C ATOM 487 O GLU A 36 94.173 9.170 -9.912 1.00 0.00 O ATOM 488 CB GLU A 36 93.874 7.839 -13.011 1.00 0.00 C ATOM 489 CG GLU A 36 94.046 9.313 -13.391 1.00 0.00 C ATOM 490 CD GLU A 36 93.617 9.545 -14.848 1.00 0.00 C ATOM 491 OE1 GLU A 36 93.212 8.593 -15.499 1.00 0.00 O1- ATOM 492 OE2 GLU A 36 93.700 10.680 -15.290 1.00 0.00 O ATOM 0 H GLU A 36 93.783 5.709 -10.954 1.00 0.00 H new ATOM 0 HA GLU A 36 95.533 8.004 -11.603 1.00 0.00 H new ATOM 0 HB2 GLU A 36 94.322 7.202 -13.774 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.815 7.586 -12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 36 93.450 9.938 -12.726 1.00 0.00 H new ATOM 0 HG3 GLU A 36 95.087 9.610 -13.260 1.00 0.00 H new ATOM 499 N VAL A 37 92.554 7.711 -10.240 1.00 0.00 N ATOM 500 CA VAL A 37 91.740 8.300 -9.128 1.00 0.00 C ATOM 501 C VAL A 37 92.514 8.128 -7.796 1.00 0.00 C ATOM 502 O VAL A 37 92.848 9.106 -7.158 1.00 0.00 O ATOM 503 CB VAL A 37 90.398 7.532 -9.171 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.717 7.509 -7.798 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.468 8.224 -10.167 1.00 0.00 C ATOM 0 H VAL A 37 92.128 6.918 -10.720 1.00 0.00 H new ATOM 0 HA VAL A 37 91.553 9.370 -9.224 1.00 0.00 H new ATOM 0 HB VAL A 37 90.602 6.504 -9.470 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.777 6.961 -7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.370 7.019 -7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.518 8.530 -7.473 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.517 7.692 -10.207 1.00 0.00 H new ATOM 0 HG22 VAL A 37 89.295 9.252 -9.850 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.927 8.222 -11.156 1.00 0.00 H new ATOM 515 N PRO A 38 92.808 6.896 -7.435 1.00 0.00 N ATOM 516 CA PRO A 38 93.585 6.639 -6.192 1.00 0.00 C ATOM 517 C PRO A 38 95.052 7.004 -6.425 1.00 0.00 C ATOM 518 O PRO A 38 95.766 7.403 -5.526 1.00 0.00 O ATOM 519 CB PRO A 38 93.462 5.131 -5.995 1.00 0.00 C ATOM 520 CG PRO A 38 93.201 4.580 -7.356 1.00 0.00 C ATOM 521 CD PRO A 38 92.462 5.639 -8.126 1.00 0.00 C ATOM 0 HA PRO A 38 93.230 7.214 -5.337 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.374 4.714 -5.569 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.650 4.888 -5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 38 94.136 4.323 -7.854 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.611 3.665 -7.295 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.771 5.661 -9.171 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.387 5.462 -8.116 1.00 0.00 H new ATOM 529 N GLY A 39 95.496 6.830 -7.637 1.00 0.00 N ATOM 530 CA GLY A 39 96.910 7.111 -7.996 1.00 0.00 C ATOM 531 C GLY A 39 97.402 5.936 -8.837 1.00 0.00 C ATOM 532 O GLY A 39 97.688 6.081 -10.007 1.00 0.00 O ATOM 0 H GLY A 39 94.922 6.496 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.987 8.044 -8.555 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.520 7.225 -7.100 1.00 0.00 H new ATOM 536 N PHE A 40 97.434 4.763 -8.230 1.00 0.00 N ATOM 537 CA PHE A 40 97.838 3.478 -8.919 1.00 0.00 C ATOM 538 C PHE A 40 98.226 2.401 -7.874 1.00 0.00 C ATOM 539 O PHE A 40 97.690 1.311 -7.910 1.00 0.00 O ATOM 540 CB PHE A 40 99.009 3.776 -9.907 1.00 0.00 C ATOM 541 CG PHE A 40 99.730 2.502 -10.326 1.00 0.00 C ATOM 542 CD1 PHE A 40 99.008 1.320 -10.555 1.00 0.00 C ATOM 543 CD2 PHE A 40 101.121 2.510 -10.489 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.676 0.154 -10.944 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.788 1.342 -10.880 1.00 0.00 C ATOM 546 CZ PHE A 40 101.066 0.164 -11.107 1.00 0.00 C ATOM 0 H PHE A 40 97.187 4.639 -7.248 1.00 0.00 H new ATOM 0 HA PHE A 40 96.997 3.082 -9.488 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.620 4.281 -10.791 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.718 4.457 -9.436 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.935 1.311 -10.431 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.680 3.417 -10.313 1.00 0.00 H new ATOM 0 HE1 PHE A 40 99.119 -0.754 -11.119 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.861 1.350 -11.007 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.581 -0.736 -11.408 1.00 0.00 H new ATOM 556 N PRO A 41 99.163 2.708 -6.993 1.00 0.00 N ATOM 557 CA PRO A 41 99.619 1.724 -5.992 1.00 0.00 C ATOM 558 C PRO A 41 98.984 1.965 -4.614 1.00 0.00 C ATOM 559 O PRO A 41 99.316 1.289 -3.658 1.00 0.00 O ATOM 560 CB PRO A 41 101.113 2.025 -5.919 1.00 0.00 C ATOM 561 CG PRO A 41 101.255 3.470 -6.338 1.00 0.00 C ATOM 562 CD PRO A 41 99.903 3.952 -6.816 1.00 0.00 C ATOM 0 HA PRO A 41 99.361 0.699 -6.260 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.496 1.870 -4.910 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.678 1.368 -6.579 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.602 4.077 -5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 41 101.996 3.566 -7.131 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.426 4.607 -6.087 1.00 0.00 H new ATOM 0 HD3 PRO A 41 99.979 4.514 -7.747 1.00 0.00 H new ATOM 570 N ASN A 42 98.095 2.921 -4.492 1.00 0.00 N ATOM 571 CA ASN A 42 97.476 3.193 -3.156 1.00 0.00 C ATOM 572 C ASN A 42 95.962 3.006 -3.250 1.00 0.00 C ATOM 573 O ASN A 42 95.181 3.772 -2.708 1.00 0.00 O ATOM 574 CB ASN A 42 97.844 4.640 -2.799 1.00 0.00 C ATOM 575 CG ASN A 42 99.352 4.866 -2.968 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.770 5.721 -3.723 1.00 0.00 O ATOM 577 ND2 ASN A 42 100.190 4.129 -2.291 1.00 0.00 N ATOM 0 H ASN A 42 97.773 3.520 -5.252 1.00 0.00 H new ATOM 0 HA ASN A 42 97.836 2.511 -2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 42 97.293 5.330 -3.438 1.00 0.00 H new ATOM 0 HB3 ASN A 42 97.551 4.853 -1.771 1.00 0.00 H new ATOM 0 HD21 ASN A 42 101.195 4.271 -2.396 1.00 0.00 H new ATOM 0 HD22 ASN A 42 99.840 3.411 -1.657 1.00 0.00 H new ATOM 584 N VAL A 43 95.556 1.975 -3.933 1.00 0.00 N ATOM 585 CA VAL A 43 94.108 1.674 -4.091 1.00 0.00 C ATOM 586 C VAL A 43 93.767 0.420 -3.290 1.00 0.00 C ATOM 587 O VAL A 43 94.550 -0.514 -3.193 1.00 0.00 O ATOM 588 CB VAL A 43 93.888 1.450 -5.597 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.806 0.332 -6.109 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.419 1.071 -5.855 1.00 0.00 C ATOM 0 H VAL A 43 96.180 1.315 -4.398 1.00 0.00 H new ATOM 0 HA VAL A 43 93.470 2.478 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 43 94.125 2.372 -6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.639 0.184 -7.176 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.846 0.609 -5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.585 -0.593 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 43 92.266 0.913 -6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 43 92.179 0.155 -5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.770 1.876 -5.511 1.00 0.00 H new ATOM 600 N GLY A 44 92.605 0.413 -2.693 1.00 0.00 N ATOM 601 CA GLY A 44 92.195 -0.753 -1.874 1.00 0.00 C ATOM 602 C GLY A 44 90.709 -0.672 -1.545 1.00 0.00 C ATOM 603 O GLY A 44 90.052 0.317 -1.811 1.00 0.00 O ATOM 0 H GLY A 44 91.923 1.170 -2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.405 -1.677 -2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.777 -0.782 -0.953 1.00 0.00 H new ATOM 607 N GLY A 45 90.184 -1.709 -0.947 1.00 0.00 N ATOM 608 CA GLY A 45 88.745 -1.719 -0.571 1.00 0.00 C ATOM 609 C GLY A 45 88.603 -1.147 0.837 1.00 0.00 C ATOM 610 O GLY A 45 89.561 -1.097 1.591 1.00 0.00 O ATOM 0 H GLY A 45 90.698 -2.556 -0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.165 -1.127 -1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.352 -2.735 -0.608 1.00 0.00 H new ATOM 614 N ILE A 46 87.417 -0.731 1.203 1.00 0.00 N ATOM 615 CA ILE A 46 87.204 -0.167 2.569 1.00 0.00 C ATOM 616 C ILE A 46 85.810 -0.555 3.108 1.00 0.00 C ATOM 617 O ILE A 46 84.934 -0.911 2.348 1.00 0.00 O ATOM 618 CB ILE A 46 87.335 1.355 2.411 1.00 0.00 C ATOM 619 CG1 ILE A 46 86.376 1.858 1.334 1.00 0.00 C ATOM 620 CG2 ILE A 46 88.766 1.708 2.002 1.00 0.00 C ATOM 621 CD1 ILE A 46 86.161 3.363 1.505 1.00 0.00 C ATOM 0 H ILE A 46 86.586 -0.758 0.613 1.00 0.00 H new ATOM 0 HA ILE A 46 87.928 -0.555 3.286 1.00 0.00 H new ATOM 0 HB ILE A 46 87.092 1.827 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 46 86.781 1.648 0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 46 85.423 1.333 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 46 88.856 2.788 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.459 1.363 2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.003 1.224 1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.477 3.722 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 46 85.737 3.560 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 46 87.116 3.880 1.411 1.00 0.00 H new ATOM 633 N PRO A 47 85.662 -0.491 4.417 1.00 0.00 N ATOM 634 CA PRO A 47 84.373 -0.864 5.077 1.00 0.00 C ATOM 635 C PRO A 47 83.252 0.154 4.828 1.00 0.00 C ATOM 636 O PRO A 47 82.098 -0.128 5.100 1.00 0.00 O ATOM 637 CB PRO A 47 84.727 -0.862 6.564 1.00 0.00 C ATOM 638 CG PRO A 47 85.886 0.070 6.678 1.00 0.00 C ATOM 639 CD PRO A 47 86.671 -0.070 5.409 1.00 0.00 C ATOM 0 HA PRO A 47 83.996 -1.812 4.694 1.00 0.00 H new ATOM 0 HB2 PRO A 47 83.887 -0.524 7.170 1.00 0.00 H new ATOM 0 HB3 PRO A 47 84.988 -1.862 6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.546 1.097 6.813 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.500 -0.179 7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 47 87.144 0.870 5.125 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.466 -0.809 5.510 1.00 0.00 H new ATOM 647 N ASP A 48 83.565 1.335 4.359 1.00 0.00 N ATOM 648 CA ASP A 48 82.490 2.357 4.153 1.00 0.00 C ATOM 649 C ASP A 48 81.909 2.299 2.738 1.00 0.00 C ATOM 650 O ASP A 48 81.263 3.231 2.296 1.00 0.00 O ATOM 651 CB ASP A 48 83.151 3.708 4.422 1.00 0.00 C ATOM 652 CG ASP A 48 83.458 3.840 5.916 1.00 0.00 C ATOM 653 OD1 ASP A 48 82.596 3.501 6.710 1.00 0.00 O1- ATOM 654 OD2 ASP A 48 84.548 4.282 6.240 1.00 0.00 O ATOM 0 H ASP A 48 84.508 1.636 4.111 1.00 0.00 H new ATOM 0 HA ASP A 48 81.647 2.178 4.821 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.070 3.797 3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.493 4.516 4.103 1.00 0.00 H new ATOM 659 N ILE A 49 82.087 1.205 2.042 1.00 0.00 N ATOM 660 CA ILE A 49 81.490 1.086 0.679 1.00 0.00 C ATOM 661 C ILE A 49 80.525 -0.109 0.660 1.00 0.00 C ATOM 662 O ILE A 49 80.900 -1.227 0.955 1.00 0.00 O ATOM 663 CB ILE A 49 82.671 0.924 -0.275 1.00 0.00 C ATOM 664 CG1 ILE A 49 83.509 2.206 -0.206 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.164 0.696 -1.705 1.00 0.00 C ATOM 666 CD1 ILE A 49 84.705 2.109 -1.155 1.00 0.00 C ATOM 0 H ILE A 49 82.618 0.393 2.357 1.00 0.00 H new ATOM 0 HA ILE A 49 80.902 1.954 0.381 1.00 0.00 H new ATOM 0 HB ILE A 49 83.276 0.063 0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 49 82.894 3.066 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 49 83.857 2.367 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 49 83.014 0.582 -2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.553 -0.206 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 49 81.565 1.551 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 49 85.292 3.026 -1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 49 85.328 1.261 -0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 49 84.349 1.971 -2.176 1.00 0.00 H new ATOM 678 N ALA A 50 79.270 0.140 0.366 1.00 0.00 N ATOM 679 CA ALA A 50 78.249 -0.956 0.389 1.00 0.00 C ATOM 680 C ALA A 50 78.235 -1.805 -0.882 1.00 0.00 C ATOM 681 O ALA A 50 78.091 -3.013 -0.798 1.00 0.00 O ATOM 682 CB ALA A 50 76.908 -0.241 0.558 1.00 0.00 C ATOM 0 H ALA A 50 78.908 1.059 0.110 1.00 0.00 H new ATOM 0 HA ALA A 50 78.472 -1.658 1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 50 76.104 -0.977 0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.912 0.325 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.750 0.439 -0.279 1.00 0.00 H new ATOM 688 N GLY A 51 78.356 -1.219 -2.050 1.00 0.00 N ATOM 689 CA GLY A 51 78.313 -2.072 -3.273 1.00 0.00 C ATOM 690 C GLY A 51 78.399 -1.256 -4.568 1.00 0.00 C ATOM 691 O GLY A 51 79.320 -0.495 -4.793 1.00 0.00 O ATOM 0 H GLY A 51 78.479 -0.218 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.137 -2.785 -3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.390 -2.651 -3.274 1.00 0.00 H new ATOM 695 N TRP A 52 77.444 -1.472 -5.437 1.00 0.00 N ATOM 696 CA TRP A 52 77.401 -0.802 -6.783 1.00 0.00 C ATOM 697 C TRP A 52 77.819 0.672 -6.760 1.00 0.00 C ATOM 698 O TRP A 52 78.435 1.142 -7.702 1.00 0.00 O ATOM 699 CB TRP A 52 75.941 -0.912 -7.219 1.00 0.00 C ATOM 700 CG TRP A 52 75.852 -0.710 -8.695 1.00 0.00 C ATOM 701 CD1 TRP A 52 76.468 -1.481 -9.620 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.126 0.316 -9.432 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.160 -0.998 -10.880 1.00 0.00 N ATOM 704 CE2 TRP A 52 75.337 0.110 -10.816 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.312 1.393 -9.039 1.00 0.00 C ATOM 706 CZ2 TRP A 52 74.759 0.943 -11.776 1.00 0.00 C ATOM 707 CZ3 TRP A 52 73.730 2.234 -10.001 1.00 0.00 C ATOM 708 CH2 TRP A 52 73.954 2.009 -11.367 1.00 0.00 C ATOM 0 H TRP A 52 76.664 -2.106 -5.267 1.00 0.00 H new ATOM 0 HA TRP A 52 78.109 -1.283 -7.458 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.541 -1.889 -6.949 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.337 -0.167 -6.701 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.097 -2.333 -9.410 1.00 0.00 H new ATOM 0 HE1 TRP A 52 76.499 -1.410 -11.749 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.133 1.575 -7.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 74.933 0.765 -12.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.107 3.058 -9.687 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.504 2.660 -12.102 1.00 0.00 H new ATOM 719 N ASP A 53 77.523 1.411 -5.717 1.00 0.00 N ATOM 720 CA ASP A 53 77.948 2.845 -5.687 1.00 0.00 C ATOM 721 C ASP A 53 77.667 3.438 -4.304 1.00 0.00 C ATOM 722 O ASP A 53 76.654 4.071 -4.073 1.00 0.00 O ATOM 723 CB ASP A 53 77.140 3.556 -6.788 1.00 0.00 C ATOM 724 CG ASP A 53 75.633 3.448 -6.513 1.00 0.00 C ATOM 725 OD1 ASP A 53 75.244 2.618 -5.706 1.00 0.00 O1- ATOM 726 OD2 ASP A 53 74.891 4.206 -7.117 1.00 0.00 O ATOM 0 H ASP A 53 77.012 1.088 -4.895 1.00 0.00 H new ATOM 0 HA ASP A 53 79.016 2.963 -5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 53 77.431 4.605 -6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 53 77.370 3.114 -7.757 1.00 0.00 H new ATOM 731 N SER A 54 78.554 3.206 -3.380 1.00 0.00 N ATOM 732 CA SER A 54 78.359 3.723 -1.991 1.00 0.00 C ATOM 733 C SER A 54 78.463 5.254 -1.963 1.00 0.00 C ATOM 734 O SER A 54 79.166 5.835 -2.767 1.00 0.00 O ATOM 735 CB SER A 54 79.489 3.109 -1.177 1.00 0.00 C ATOM 736 OG SER A 54 79.197 3.251 0.207 1.00 0.00 O ATOM 0 H SER A 54 79.414 2.677 -3.525 1.00 0.00 H new ATOM 0 HA SER A 54 77.376 3.464 -1.598 1.00 0.00 H new ATOM 0 HB2 SER A 54 79.605 2.055 -1.430 1.00 0.00 H new ATOM 0 HB3 SER A 54 80.433 3.600 -1.414 1.00 0.00 H new ATOM 0 HG SER A 54 79.801 3.914 0.602 1.00 0.00 H new ATOM 742 N PRO A 55 77.763 5.868 -1.032 1.00 0.00 N ATOM 743 CA PRO A 55 77.803 7.346 -0.920 1.00 0.00 C ATOM 744 C PRO A 55 79.192 7.832 -0.485 1.00 0.00 C ATOM 745 O PRO A 55 79.506 9.002 -0.607 1.00 0.00 O ATOM 746 CB PRO A 55 76.751 7.659 0.145 1.00 0.00 C ATOM 747 CG PRO A 55 76.641 6.406 0.948 1.00 0.00 C ATOM 748 CD PRO A 55 76.884 5.272 -0.008 1.00 0.00 C ATOM 0 HA PRO A 55 77.603 7.845 -1.868 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.055 8.502 0.766 1.00 0.00 H new ATOM 0 HB3 PRO A 55 75.796 7.924 -0.308 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.372 6.397 1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 55 75.656 6.323 1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 55 77.360 4.425 0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 55 75.953 4.906 -0.442 1.00 0.00 H new ATOM 756 N SER A 56 80.024 6.950 0.027 1.00 0.00 N ATOM 757 CA SER A 56 81.383 7.380 0.472 1.00 0.00 C ATOM 758 C SER A 56 82.473 6.891 -0.497 1.00 0.00 C ATOM 759 O SER A 56 83.644 6.996 -0.207 1.00 0.00 O ATOM 760 CB SER A 56 81.567 6.745 1.849 1.00 0.00 C ATOM 761 OG SER A 56 80.681 7.362 2.774 1.00 0.00 O ATOM 0 H SER A 56 79.818 5.959 0.153 1.00 0.00 H new ATOM 0 HA SER A 56 81.469 8.466 0.500 1.00 0.00 H new ATOM 0 HB2 SER A 56 81.369 5.674 1.798 1.00 0.00 H new ATOM 0 HB3 SER A 56 82.598 6.863 2.182 1.00 0.00 H new ATOM 0 HG SER A 56 80.796 6.955 3.658 1.00 0.00 H new ATOM 767 N CYS A 57 82.108 6.362 -1.641 1.00 0.00 N ATOM 768 CA CYS A 57 83.148 5.880 -2.609 1.00 0.00 C ATOM 769 C CYS A 57 84.046 7.048 -3.037 1.00 0.00 C ATOM 770 O CYS A 57 83.582 8.155 -3.232 1.00 0.00 O ATOM 771 CB CYS A 57 82.364 5.336 -3.806 1.00 0.00 C ATOM 772 SG CYS A 57 83.170 3.847 -4.448 1.00 0.00 S ATOM 0 H CYS A 57 81.142 6.243 -1.946 1.00 0.00 H new ATOM 0 HA CYS A 57 83.796 5.119 -2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 57 81.341 5.106 -3.507 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.305 6.094 -4.588 1.00 0.00 H new ATOM 777 N GLY A 58 85.324 6.806 -3.195 1.00 0.00 N ATOM 778 CA GLY A 58 86.253 7.894 -3.621 1.00 0.00 C ATOM 779 C GLY A 58 86.778 8.658 -2.401 1.00 0.00 C ATOM 780 O GLY A 58 87.299 9.750 -2.530 1.00 0.00 O ATOM 0 H GLY A 58 85.764 5.898 -3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 58 87.088 7.470 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.736 8.580 -4.292 1.00 0.00 H new ATOM 784 N THR A 59 86.659 8.095 -1.222 1.00 0.00 N ATOM 785 CA THR A 59 87.169 8.795 -0.006 1.00 0.00 C ATOM 786 C THR A 59 88.611 8.382 0.269 1.00 0.00 C ATOM 787 O THR A 59 89.116 7.432 -0.297 1.00 0.00 O ATOM 788 CB THR A 59 86.270 8.351 1.149 1.00 0.00 C ATOM 789 OG1 THR A 59 86.108 6.940 1.108 1.00 0.00 O ATOM 790 CG2 THR A 59 84.910 9.042 1.041 1.00 0.00 C ATOM 0 H THR A 59 86.232 7.184 -1.052 1.00 0.00 H new ATOM 0 HA THR A 59 87.152 9.877 -0.133 1.00 0.00 H new ATOM 0 HB THR A 59 86.731 8.629 2.097 1.00 0.00 H new ATOM 0 HG1 THR A 59 85.261 6.721 0.666 1.00 0.00 H new ATOM 0 HG21 THR A 59 84.273 8.723 1.866 1.00 0.00 H new ATOM 0 HG22 THR A 59 85.046 10.123 1.085 1.00 0.00 H new ATOM 0 HG23 THR A 59 84.440 8.774 0.095 1.00 0.00 H new ATOM 798 N CYS A 60 89.268 9.095 1.138 1.00 0.00 N ATOM 799 CA CYS A 60 90.681 8.766 1.473 1.00 0.00 C ATOM 800 C CYS A 60 90.783 8.214 2.893 1.00 0.00 C ATOM 801 O CYS A 60 90.195 8.746 3.816 1.00 0.00 O ATOM 802 CB CYS A 60 91.424 10.098 1.372 1.00 0.00 C ATOM 803 SG CYS A 60 92.254 10.201 -0.229 1.00 0.00 S ATOM 0 H CYS A 60 88.884 9.899 1.635 1.00 0.00 H new ATOM 0 HA CYS A 60 91.093 8.006 0.809 1.00 0.00 H new ATOM 0 HB2 CYS A 60 90.725 10.927 1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 60 92.153 10.183 2.178 1.00 0.00 H new ATOM 808 N TRP A 61 91.542 7.168 3.080 1.00 0.00 N ATOM 809 CA TRP A 61 91.710 6.593 4.445 1.00 0.00 C ATOM 810 C TRP A 61 93.197 6.363 4.711 1.00 0.00 C ATOM 811 O TRP A 61 93.912 5.894 3.850 1.00 0.00 O ATOM 812 CB TRP A 61 90.958 5.264 4.415 1.00 0.00 C ATOM 813 CG TRP A 61 89.489 5.523 4.310 1.00 0.00 C ATOM 814 CD1 TRP A 61 88.754 5.361 3.187 1.00 0.00 C ATOM 815 CD2 TRP A 61 88.568 5.985 5.340 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.440 5.690 3.462 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.275 6.082 4.775 1.00 0.00 C ATOM 818 CE3 TRP A 61 88.727 6.327 6.696 1.00 0.00 C ATOM 819 CZ2 TRP A 61 86.177 6.501 5.527 1.00 0.00 C ATOM 820 CZ3 TRP A 61 87.623 6.750 7.456 1.00 0.00 C ATOM 821 CH2 TRP A 61 86.351 6.836 6.872 1.00 0.00 C ATOM 0 H TRP A 61 92.055 6.685 2.342 1.00 0.00 H new ATOM 0 HA TRP A 61 91.331 7.248 5.230 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.293 4.664 3.569 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.173 4.692 5.317 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.132 5.029 2.231 1.00 0.00 H new ATOM 0 HE1 TRP A 61 86.684 5.648 2.778 1.00 0.00 H new ATOM 0 HE3 TRP A 61 89.703 6.264 7.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 85.199 6.566 5.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 87.755 7.010 8.496 1.00 0.00 H new ATOM 0 HH2 TRP A 61 85.507 7.161 7.462 1.00 0.00 H new ATOM 832 N LYS A 62 93.670 6.683 5.886 1.00 0.00 N ATOM 833 CA LYS A 62 95.117 6.473 6.187 1.00 0.00 C ATOM 834 C LYS A 62 95.289 5.200 7.009 1.00 0.00 C ATOM 835 O LYS A 62 94.571 4.977 7.960 1.00 0.00 O ATOM 836 CB LYS A 62 95.544 7.699 6.995 1.00 0.00 C ATOM 837 CG LYS A 62 97.066 7.701 7.150 1.00 0.00 C ATOM 838 CD LYS A 62 97.498 8.926 7.958 1.00 0.00 C ATOM 839 CE LYS A 62 99.021 8.924 8.111 1.00 0.00 C ATOM 840 NZ LYS A 62 99.300 9.907 9.196 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.120 7.079 6.648 1.00 0.00 H new ATOM 0 HA LYS A 62 95.718 6.361 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.217 8.610 6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.068 7.686 7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.392 6.789 7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 62 97.542 7.714 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.173 9.838 7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.023 8.914 8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 62 99.390 7.932 8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 62 99.512 9.212 7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.326 9.962 9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 98.943 10.843 8.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 98.826 9.603 10.070 1.00 0.00 H new ATOM 854 N VAL A 63 96.227 4.361 6.645 1.00 0.00 N ATOM 855 CA VAL A 63 96.436 3.092 7.406 1.00 0.00 C ATOM 856 C VAL A 63 97.758 3.164 8.178 1.00 0.00 C ATOM 857 O VAL A 63 98.806 3.356 7.604 1.00 0.00 O ATOM 858 CB VAL A 63 96.468 1.987 6.340 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.680 0.625 7.009 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.137 1.971 5.583 1.00 0.00 C ATOM 0 H VAL A 63 96.856 4.500 5.854 1.00 0.00 H new ATOM 0 HA VAL A 63 95.654 2.906 8.142 1.00 0.00 H new ATOM 0 HB VAL A 63 97.286 2.183 5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.702 -0.155 6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.626 0.629 7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.864 0.430 7.705 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.158 1.187 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.323 1.778 6.282 1.00 0.00 H new ATOM 0 HG23 VAL A 63 94.981 2.936 5.101 1.00 0.00 H new ATOM 870 N THR A 64 97.698 3.042 9.483 1.00 0.00 N ATOM 871 CA THR A 64 98.930 3.137 10.329 1.00 0.00 C ATOM 872 C THR A 64 99.203 1.819 11.067 1.00 0.00 C ATOM 873 O THR A 64 98.290 1.155 11.525 1.00 0.00 O ATOM 874 CB THR A 64 98.599 4.234 11.342 1.00 0.00 C ATOM 875 OG1 THR A 64 98.208 5.411 10.649 1.00 0.00 O ATOM 876 CG2 THR A 64 99.830 4.533 12.200 1.00 0.00 C ATOM 0 H THR A 64 96.836 2.879 10.004 1.00 0.00 H new ATOM 0 HA THR A 64 99.818 3.348 9.733 1.00 0.00 H new ATOM 0 HB THR A 64 97.785 3.899 11.985 1.00 0.00 H new ATOM 0 HG1 THR A 64 97.994 6.115 11.296 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.590 5.315 12.920 1.00 0.00 H new ATOM 0 HG22 THR A 64 100.131 3.630 12.731 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.647 4.867 11.560 1.00 0.00 H new ATOM 884 N ILE A 65 100.456 1.441 11.188 1.00 0.00 N ATOM 885 CA ILE A 65 100.792 0.164 11.900 1.00 0.00 C ATOM 886 C ILE A 65 101.693 0.447 13.123 1.00 0.00 C ATOM 887 O ILE A 65 102.253 1.519 13.234 1.00 0.00 O ATOM 888 CB ILE A 65 101.517 -0.699 10.858 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.766 0.037 10.359 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.585 -0.971 9.677 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.665 -0.940 9.599 1.00 0.00 C ATOM 0 H ILE A 65 101.257 1.959 10.826 1.00 0.00 H new ATOM 0 HA ILE A 65 99.906 -0.339 12.286 1.00 0.00 H new ATOM 0 HB ILE A 65 101.809 -1.644 11.316 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.479 0.864 9.709 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.308 0.467 11.201 1.00 0.00 H new ATOM 0 HG21 ILE A 65 101.102 -1.584 8.939 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.697 -1.497 10.028 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.290 -0.026 9.221 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.553 -0.417 9.244 1.00 0.00 H new ATOM 0 HD12 ILE A 65 103.963 -1.752 10.263 1.00 0.00 H new ATOM 0 HD13 ILE A 65 103.120 -1.349 8.748 1.00 0.00 H new ATOM 903 N PRO A 66 101.780 -0.524 14.018 1.00 0.00 N ATOM 904 CA PRO A 66 102.597 -0.363 15.262 1.00 0.00 C ATOM 905 C PRO A 66 104.087 -0.144 14.967 1.00 0.00 C ATOM 906 O PRO A 66 104.798 0.436 15.766 1.00 0.00 O ATOM 907 CB PRO A 66 102.381 -1.689 15.999 1.00 0.00 C ATOM 908 CG PRO A 66 101.993 -2.649 14.931 1.00 0.00 C ATOM 909 CD PRO A 66 101.153 -1.858 13.974 1.00 0.00 C ATOM 0 HA PRO A 66 102.297 0.514 15.835 1.00 0.00 H new ATOM 0 HB2 PRO A 66 103.288 -2.011 16.512 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.601 -1.600 16.756 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.872 -3.062 14.435 1.00 0.00 H new ATOM 0 HG3 PRO A 66 101.435 -3.490 15.342 1.00 0.00 H new ATOM 0 HD2 PRO A 66 101.174 -2.282 12.970 1.00 0.00 H new ATOM 0 HD3 PRO A 66 100.109 -1.825 14.284 1.00 0.00 H new ATOM 917 N ASN A 67 104.565 -0.592 13.833 1.00 0.00 N ATOM 918 CA ASN A 67 106.013 -0.395 13.497 1.00 0.00 C ATOM 919 C ASN A 67 106.315 1.101 13.369 1.00 0.00 C ATOM 920 O ASN A 67 107.341 1.585 13.809 1.00 0.00 O ATOM 921 CB ASN A 67 106.221 -1.109 12.160 1.00 0.00 C ATOM 922 CG ASN A 67 107.688 -0.992 11.736 1.00 0.00 C ATOM 923 OD1 ASN A 67 108.571 -0.946 12.569 1.00 0.00 O ATOM 924 ND2 ASN A 67 107.985 -0.947 10.466 1.00 0.00 N ATOM 0 H ASN A 67 104.019 -1.084 13.126 1.00 0.00 H new ATOM 0 HA ASN A 67 106.676 -0.792 14.266 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.941 -2.159 12.250 1.00 0.00 H new ATOM 0 HB3 ASN A 67 105.576 -0.671 11.398 1.00 0.00 H new ATOM 0 HD21 ASN A 67 108.959 -0.873 10.172 1.00 0.00 H new ATOM 0 HD22 ASN A 67 107.243 -0.986 9.767 1.00 0.00 H new ATOM 931 N GLY A 68 105.408 1.826 12.773 1.00 0.00 N ATOM 932 CA GLY A 68 105.604 3.296 12.612 1.00 0.00 C ATOM 933 C GLY A 68 105.660 3.662 11.130 1.00 0.00 C ATOM 934 O GLY A 68 106.647 4.180 10.645 1.00 0.00 O ATOM 0 H GLY A 68 104.536 1.462 12.389 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.789 3.834 13.096 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.526 3.603 13.105 1.00 0.00 H new ATOM 938 N ASN A 69 104.596 3.415 10.417 1.00 0.00 N ATOM 939 CA ASN A 69 104.553 3.763 8.969 1.00 0.00 C ATOM 940 C ASN A 69 103.100 3.838 8.514 1.00 0.00 C ATOM 941 O ASN A 69 102.235 3.198 9.093 1.00 0.00 O ATOM 942 CB ASN A 69 105.292 2.635 8.249 1.00 0.00 C ATOM 943 CG ASN A 69 105.686 3.098 6.841 1.00 0.00 C ATOM 944 OD1 ASN A 69 105.128 4.043 6.319 1.00 0.00 O ATOM 945 ND2 ASN A 69 106.629 2.465 6.200 1.00 0.00 N ATOM 0 H ASN A 69 103.746 2.983 10.780 1.00 0.00 H new ATOM 0 HA ASN A 69 105.014 4.728 8.757 1.00 0.00 H new ATOM 0 HB2 ASN A 69 106.181 2.351 8.812 1.00 0.00 H new ATOM 0 HB3 ASN A 69 104.657 1.751 8.188 1.00 0.00 H new ATOM 0 HD21 ASN A 69 106.897 2.763 5.262 1.00 0.00 H new ATOM 0 HD22 ASN A 69 107.098 1.672 6.637 1.00 0.00 H new ATOM 952 N SER A 70 102.811 4.612 7.499 1.00 0.00 N ATOM 953 CA SER A 70 101.398 4.718 7.039 1.00 0.00 C ATOM 954 C SER A 70 101.297 5.001 5.540 1.00 0.00 C ATOM 955 O SER A 70 102.222 5.468 4.906 1.00 0.00 O ATOM 956 CB SER A 70 100.798 5.867 7.846 1.00 0.00 C ATOM 957 OG SER A 70 101.384 7.091 7.425 1.00 0.00 O ATOM 0 H SER A 70 103.486 5.169 6.975 1.00 0.00 H new ATOM 0 HA SER A 70 100.867 3.779 7.194 1.00 0.00 H new ATOM 0 HB2 SER A 70 99.718 5.900 7.706 1.00 0.00 H new ATOM 0 HB3 SER A 70 100.977 5.712 8.910 1.00 0.00 H new ATOM 0 HG SER A 70 101.547 7.661 8.205 1.00 0.00 H new ATOM 963 N ILE A 71 100.150 4.713 4.987 1.00 0.00 N ATOM 964 CA ILE A 71 99.895 4.937 3.536 1.00 0.00 C ATOM 965 C ILE A 71 98.484 5.502 3.368 1.00 0.00 C ATOM 966 O ILE A 71 97.646 5.331 4.235 1.00 0.00 O ATOM 967 CB ILE A 71 99.992 3.546 2.883 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.660 3.637 1.396 1.00 0.00 C ATOM 969 CG2 ILE A 71 99.014 2.580 3.552 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.972 2.300 0.728 1.00 0.00 C ATOM 0 H ILE A 71 99.358 4.321 5.496 1.00 0.00 H new ATOM 0 HA ILE A 71 100.599 5.637 3.086 1.00 0.00 H new ATOM 0 HB ILE A 71 101.011 3.179 3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.608 3.888 1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 71 100.240 4.434 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 71 99.092 1.600 3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 71 99.255 2.494 4.612 1.00 0.00 H new ATOM 0 HG23 ILE A 71 97.997 2.956 3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 71 99.736 2.360 -0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 71 101.030 2.069 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 71 99.373 1.515 1.189 1.00 0.00 H new ATOM 982 N PHE A 72 98.201 6.144 2.264 1.00 0.00 N ATOM 983 CA PHE A 72 96.824 6.676 2.069 1.00 0.00 C ATOM 984 C PHE A 72 96.098 5.766 1.079 1.00 0.00 C ATOM 985 O PHE A 72 96.556 5.558 -0.023 1.00 0.00 O ATOM 986 CB PHE A 72 96.999 8.088 1.502 1.00 0.00 C ATOM 987 CG PHE A 72 97.779 8.935 2.482 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.136 9.498 3.590 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.146 9.155 2.278 1.00 0.00 C ATOM 990 CE1 PHE A 72 97.862 10.283 4.495 1.00 0.00 C ATOM 991 CE2 PHE A 72 99.871 9.940 3.183 1.00 0.00 C ATOM 992 CZ PHE A 72 99.229 10.503 4.292 1.00 0.00 C ATOM 0 H PHE A 72 98.854 6.320 1.501 1.00 0.00 H new ATOM 0 HA PHE A 72 96.239 6.708 2.988 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.522 8.045 0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.025 8.538 1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.081 9.328 3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.642 8.719 1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.366 10.719 5.350 1.00 0.00 H new ATOM 0 HE2 PHE A 72 100.926 10.111 3.025 1.00 0.00 H new ATOM 0 HZ PHE A 72 99.788 11.107 4.991 1.00 0.00 H new ATOM 1002 N ILE A 73 94.988 5.207 1.471 1.00 0.00 N ATOM 1003 CA ILE A 73 94.247 4.282 0.561 1.00 0.00 C ATOM 1004 C ILE A 73 92.889 4.879 0.188 1.00 0.00 C ATOM 1005 O ILE A 73 92.141 5.308 1.048 1.00 0.00 O ATOM 1006 CB ILE A 73 94.092 2.988 1.372 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.486 2.420 1.713 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.295 1.955 0.567 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.262 2.099 0.427 1.00 0.00 C ATOM 0 H ILE A 73 94.558 5.350 2.385 1.00 0.00 H new ATOM 0 HA ILE A 73 94.767 4.107 -0.381 1.00 0.00 H new ATOM 0 HB ILE A 73 93.555 3.208 2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.043 3.141 2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 73 95.381 1.518 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 73 93.191 1.041 1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.307 2.355 0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.820 1.734 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.243 1.699 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.711 1.361 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.384 3.009 -0.161 1.00 0.00 H new ATOM 1021 N ARG A 74 92.566 4.915 -1.081 1.00 0.00 N ATOM 1022 CA ARG A 74 91.257 5.490 -1.497 1.00 0.00 C ATOM 1023 C ARG A 74 90.241 4.364 -1.708 1.00 0.00 C ATOM 1024 O ARG A 74 90.561 3.310 -2.224 1.00 0.00 O ATOM 1025 CB ARG A 74 91.546 6.235 -2.800 1.00 0.00 C ATOM 1026 CG ARG A 74 90.300 6.999 -3.252 1.00 0.00 C ATOM 1027 CD ARG A 74 90.169 6.905 -4.773 1.00 0.00 C ATOM 1028 NE ARG A 74 89.288 5.725 -5.008 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.736 4.687 -5.666 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.517 3.824 -5.075 1.00 0.00 N1+ ATOM 1031 NH2 ARG A 74 89.393 4.506 -6.912 1.00 0.00 N ATOM 0 H ARG A 74 93.152 4.572 -1.842 1.00 0.00 H new ATOM 0 HA ARG A 74 90.831 6.158 -0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.375 6.928 -2.657 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.850 5.529 -3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.413 6.585 -2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 74 90.369 8.043 -2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 74 89.733 7.813 -5.189 1.00 0.00 H new ATOM 0 HD3 ARG A 74 91.142 6.773 -5.246 1.00 0.00 H new ATOM 0 HE ARG A 74 88.331 5.727 -4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 74 90.779 3.958 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 74 90.865 3.015 -5.590 1.00 0.00 H new ATOM 0 HH21 ARG A 74 88.775 5.174 -7.373 1.00 0.00 H new ATOM 0 HH22 ARG A 74 89.743 3.697 -7.425 1.00 0.00 H new ATOM 1045 N GLY A 75 89.024 4.579 -1.281 1.00 0.00 N ATOM 1046 CA GLY A 75 87.972 3.530 -1.412 1.00 0.00 C ATOM 1047 C GLY A 75 87.676 3.226 -2.883 1.00 0.00 C ATOM 1048 O GLY A 75 87.722 4.087 -3.739 1.00 0.00 O ATOM 0 H GLY A 75 88.712 5.446 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.297 2.620 -0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.060 3.861 -0.915 1.00 0.00 H new ATOM 1052 N VAL A 76 87.352 1.992 -3.158 1.00 0.00 N ATOM 1053 CA VAL A 76 87.019 1.548 -4.547 1.00 0.00 C ATOM 1054 C VAL A 76 86.069 0.328 -4.482 1.00 0.00 C ATOM 1055 O VAL A 76 85.095 0.256 -5.198 1.00 0.00 O ATOM 1056 CB VAL A 76 88.379 1.201 -5.201 1.00 0.00 C ATOM 1057 CG1 VAL A 76 88.889 -0.181 -4.765 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.216 1.215 -6.722 1.00 0.00 C ATOM 0 H VAL A 76 87.302 1.251 -2.459 1.00 0.00 H new ATOM 0 HA VAL A 76 86.501 2.309 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 76 89.108 1.945 -4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 76 89.845 -0.385 -5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.017 -0.197 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.167 -0.944 -5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.169 0.972 -7.192 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.468 0.478 -7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.895 2.205 -7.044 1.00 0.00 H new ATOM 1068 N ASP A 77 86.342 -0.609 -3.613 1.00 0.00 N ATOM 1069 CA ASP A 77 85.472 -1.819 -3.458 1.00 0.00 C ATOM 1070 C ASP A 77 84.830 -1.838 -2.071 1.00 0.00 C ATOM 1071 O ASP A 77 85.272 -1.166 -1.158 1.00 0.00 O ATOM 1072 CB ASP A 77 86.403 -3.017 -3.607 1.00 0.00 C ATOM 1073 CG ASP A 77 85.555 -4.291 -3.678 1.00 0.00 C ATOM 1074 OD1 ASP A 77 85.168 -4.663 -4.775 1.00 0.00 O ATOM 1075 OD2 ASP A 77 85.300 -4.869 -2.633 1.00 0.00 O1- ATOM 0 H ASP A 77 87.149 -0.588 -2.989 1.00 0.00 H new ATOM 0 HA ASP A 77 84.668 -1.829 -4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 77 87.009 -2.915 -4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 77 87.092 -3.068 -2.764 1.00 0.00 H new ATOM 1080 N SER A 78 83.789 -2.620 -1.913 1.00 0.00 N ATOM 1081 CA SER A 78 83.100 -2.714 -0.592 1.00 0.00 C ATOM 1082 C SER A 78 83.884 -3.637 0.328 1.00 0.00 C ATOM 1083 O SER A 78 84.638 -4.480 -0.125 1.00 0.00 O ATOM 1084 CB SER A 78 81.724 -3.306 -0.897 1.00 0.00 C ATOM 1085 OG SER A 78 81.072 -3.632 0.324 1.00 0.00 O ATOM 0 H SER A 78 83.386 -3.200 -2.649 1.00 0.00 H new ATOM 0 HA SER A 78 83.020 -1.748 -0.094 1.00 0.00 H new ATOM 0 HB2 SER A 78 81.126 -2.592 -1.463 1.00 0.00 H new ATOM 0 HB3 SER A 78 81.828 -4.197 -1.516 1.00 0.00 H new ATOM 0 HG SER A 78 80.634 -2.833 0.685 1.00 0.00 H new ATOM 1091 N GLY A 79 83.717 -3.485 1.613 1.00 0.00 N ATOM 1092 CA GLY A 79 84.457 -4.354 2.558 1.00 0.00 C ATOM 1093 C GLY A 79 83.567 -4.745 3.726 1.00 0.00 C ATOM 1094 O GLY A 79 83.033 -3.908 4.429 1.00 0.00 O ATOM 0 H GLY A 79 83.100 -2.797 2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 79 84.805 -5.249 2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 79 85.341 -3.833 2.925 1.00 0.00 H new ATOM 1098 N ARG A 80 83.461 -6.017 3.971 1.00 0.00 N ATOM 1099 CA ARG A 80 82.669 -6.507 5.143 1.00 0.00 C ATOM 1100 C ARG A 80 83.290 -5.921 6.416 1.00 0.00 C ATOM 1101 O ARG A 80 82.611 -5.498 7.330 1.00 0.00 O ATOM 1102 CB ARG A 80 82.831 -8.029 5.118 1.00 0.00 C ATOM 1103 CG ARG A 80 82.071 -8.605 3.919 1.00 0.00 C ATOM 1104 CD ARG A 80 80.578 -8.687 4.253 1.00 0.00 C ATOM 1105 NE ARG A 80 79.912 -9.055 2.970 1.00 0.00 N ATOM 1106 CZ ARG A 80 79.332 -8.137 2.245 1.00 0.00 C ATOM 1107 NH1 ARG A 80 80.049 -7.354 1.487 1.00 0.00 N ATOM 1108 NH2 ARG A 80 78.033 -8.002 2.276 1.00 0.00 N1+ ATOM 0 H ARG A 80 83.891 -6.750 3.408 1.00 0.00 H new ATOM 0 HA ARG A 80 81.618 -6.219 5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 80 83.887 -8.292 5.053 1.00 0.00 H new ATOM 0 HB3 ARG A 80 82.451 -8.461 6.044 1.00 0.00 H new ATOM 0 HG2 ARG A 80 82.224 -7.977 3.042 1.00 0.00 H new ATOM 0 HG3 ARG A 80 82.455 -9.595 3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 80 80.387 -9.433 5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 80 80.206 -7.735 4.631 1.00 0.00 H new ATOM 0 HE ARG A 80 79.910 -10.026 2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 80 81.063 -7.459 1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 80 79.595 -6.637 0.921 1.00 0.00 H new ATOM 0 HH21 ARG A 80 77.471 -8.614 2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 80 77.581 -7.284 1.709 1.00 0.00 H new ATOM 1122 N GLY A 81 84.594 -5.883 6.445 1.00 0.00 N ATOM 1123 CA GLY A 81 85.335 -5.318 7.603 1.00 0.00 C ATOM 1124 C GLY A 81 86.800 -5.147 7.186 1.00 0.00 C ATOM 1125 O GLY A 81 87.218 -5.676 6.177 1.00 0.00 O ATOM 0 H GLY A 81 85.190 -6.230 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 81 84.908 -4.360 7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.258 -5.981 8.465 1.00 0.00 H new ATOM 1129 N GLY A 82 87.592 -4.467 7.971 1.00 0.00 N ATOM 1130 CA GLY A 82 89.045 -4.309 7.634 1.00 0.00 C ATOM 1131 C GLY A 82 89.268 -3.506 6.334 1.00 0.00 C ATOM 1132 O GLY A 82 88.386 -2.844 5.824 1.00 0.00 O ATOM 0 H GLY A 82 87.298 -4.011 8.835 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.553 -3.808 8.458 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.500 -5.294 7.531 1.00 0.00 H new ATOM 1136 N PHE A 83 90.483 -3.557 5.836 1.00 0.00 N ATOM 1137 CA PHE A 83 90.890 -2.813 4.590 1.00 0.00 C ATOM 1138 C PHE A 83 91.802 -3.686 3.706 1.00 0.00 C ATOM 1139 O PHE A 83 92.678 -4.367 4.207 1.00 0.00 O ATOM 1140 CB PHE A 83 91.705 -1.628 5.120 1.00 0.00 C ATOM 1141 CG PHE A 83 90.806 -0.639 5.821 1.00 0.00 C ATOM 1142 CD1 PHE A 83 90.459 -0.828 7.163 1.00 0.00 C ATOM 1143 CD2 PHE A 83 90.327 0.474 5.125 1.00 0.00 C ATOM 1144 CE1 PHE A 83 89.630 0.098 7.808 1.00 0.00 C ATOM 1145 CE2 PHE A 83 89.499 1.400 5.767 1.00 0.00 C ATOM 1146 CZ PHE A 83 89.149 1.212 7.109 1.00 0.00 C ATOM 0 H PHE A 83 91.237 -4.102 6.255 1.00 0.00 H new ATOM 0 HA PHE A 83 90.030 -2.524 3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.470 -1.985 5.809 1.00 0.00 H new ATOM 0 HB3 PHE A 83 92.222 -1.137 4.296 1.00 0.00 H new ATOM 0 HD1 PHE A 83 90.830 -1.688 7.701 1.00 0.00 H new ATOM 0 HD2 PHE A 83 90.597 0.619 4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 83 89.362 -0.047 8.844 1.00 0.00 H new ATOM 0 HE2 PHE A 83 89.130 2.260 5.228 1.00 0.00 H new ATOM 0 HZ PHE A 83 88.508 1.926 7.605 1.00 0.00 H new ATOM 1156 N ASN A 84 91.629 -3.653 2.387 1.00 0.00 N ATOM 1157 CA ASN A 84 92.535 -4.475 1.501 1.00 0.00 C ATOM 1158 C ASN A 84 93.223 -3.578 0.477 1.00 0.00 C ATOM 1159 O ASN A 84 92.576 -2.801 -0.182 1.00 0.00 O ATOM 1160 CB ASN A 84 91.653 -5.493 0.748 1.00 0.00 C ATOM 1161 CG ASN A 84 92.086 -6.917 1.119 1.00 0.00 C ATOM 1162 OD1 ASN A 84 93.262 -7.191 1.240 1.00 0.00 O ATOM 1163 ND2 ASN A 84 91.185 -7.842 1.304 1.00 0.00 N ATOM 0 H ASN A 84 90.918 -3.106 1.902 1.00 0.00 H new ATOM 0 HA ASN A 84 93.294 -4.973 2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.604 -5.342 1.004 1.00 0.00 H new ATOM 0 HB3 ASN A 84 91.743 -5.343 -0.328 1.00 0.00 H new ATOM 0 HD21 ASN A 84 91.470 -8.790 1.549 1.00 0.00 H new ATOM 0 HD22 ASN A 84 90.195 -7.617 1.204 1.00 0.00 H new ATOM 1170 N VAL A 85 94.517 -3.678 0.342 1.00 0.00 N ATOM 1171 CA VAL A 85 95.228 -2.812 -0.645 1.00 0.00 C ATOM 1172 C VAL A 85 96.129 -3.649 -1.555 1.00 0.00 C ATOM 1173 O VAL A 85 96.386 -4.813 -1.298 1.00 0.00 O ATOM 1174 CB VAL A 85 96.072 -1.845 0.198 1.00 0.00 C ATOM 1175 CG1 VAL A 85 95.150 -1.019 1.103 1.00 0.00 C ATOM 1176 CG2 VAL A 85 97.075 -2.633 1.063 1.00 0.00 C ATOM 0 H VAL A 85 95.111 -4.318 0.869 1.00 0.00 H new ATOM 0 HA VAL A 85 94.528 -2.287 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 85 96.624 -1.180 -0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.748 -0.332 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.451 -0.451 0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.594 -1.686 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.668 -1.938 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.533 -3.306 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.734 -3.213 0.418 1.00 0.00 H new ATOM 1186 N ASN A 86 96.598 -3.065 -2.630 1.00 0.00 N ATOM 1187 CA ASN A 86 97.485 -3.821 -3.572 1.00 0.00 C ATOM 1188 C ASN A 86 98.687 -4.411 -2.812 1.00 0.00 C ATOM 1189 O ASN A 86 99.082 -3.880 -1.793 1.00 0.00 O ATOM 1190 CB ASN A 86 97.973 -2.781 -4.584 1.00 0.00 C ATOM 1191 CG ASN A 86 96.825 -2.369 -5.508 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.674 -2.664 -5.247 1.00 0.00 O ATOM 1193 ND2 ASN A 86 97.093 -1.690 -6.591 1.00 0.00 N ATOM 0 H ASN A 86 96.406 -2.099 -2.897 1.00 0.00 H new ATOM 0 HA ASN A 86 96.960 -4.649 -4.049 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.361 -1.907 -4.061 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.794 -3.191 -5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.338 -1.408 -7.216 1.00 0.00 H new ATOM 0 HD22 ASN A 86 98.057 -1.442 -6.812 1.00 0.00 H new ATOM 1200 N PRO A 87 99.234 -5.489 -3.327 1.00 0.00 N ATOM 1201 CA PRO A 87 100.398 -6.126 -2.665 1.00 0.00 C ATOM 1202 C PRO A 87 101.612 -5.199 -2.723 1.00 0.00 C ATOM 1203 O PRO A 87 102.437 -5.210 -1.830 1.00 0.00 O ATOM 1204 CB PRO A 87 100.620 -7.408 -3.464 1.00 0.00 C ATOM 1205 CG PRO A 87 100.018 -7.127 -4.800 1.00 0.00 C ATOM 1206 CD PRO A 87 98.852 -6.207 -4.554 1.00 0.00 C ATOM 0 HA PRO A 87 100.236 -6.332 -1.607 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.681 -7.644 -3.549 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.141 -8.262 -2.985 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.746 -6.662 -5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.691 -8.049 -5.281 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.698 -5.522 -5.388 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.923 -6.762 -4.422 1.00 0.00 H new ATOM 1214 N THR A 88 101.723 -4.377 -3.736 1.00 0.00 N ATOM 1215 CA THR A 88 102.878 -3.433 -3.806 1.00 0.00 C ATOM 1216 C THR A 88 102.706 -2.369 -2.718 1.00 0.00 C ATOM 1217 O THR A 88 103.654 -1.992 -2.056 1.00 0.00 O ATOM 1218 CB THR A 88 102.827 -2.822 -5.202 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.940 -3.852 -6.174 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.973 -1.824 -5.378 1.00 0.00 C ATOM 0 H THR A 88 101.066 -4.319 -4.514 1.00 0.00 H new ATOM 0 HA THR A 88 103.840 -3.918 -3.640 1.00 0.00 H new ATOM 0 HB THR A 88 101.878 -2.301 -5.330 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.906 -3.460 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.929 -1.392 -6.378 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.882 -1.031 -4.636 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.926 -2.337 -5.246 1.00 0.00 H new ATOM 1228 N ALA A 89 101.499 -1.905 -2.513 1.00 0.00 N ATOM 1229 CA ALA A 89 101.260 -0.891 -1.445 1.00 0.00 C ATOM 1230 C ALA A 89 101.504 -1.544 -0.089 1.00 0.00 C ATOM 1231 O ALA A 89 102.059 -0.945 0.812 1.00 0.00 O ATOM 1232 CB ALA A 89 99.794 -0.476 -1.593 1.00 0.00 C ATOM 0 H ALA A 89 100.671 -2.185 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 89 101.919 -0.026 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.549 0.270 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.634 -0.053 -2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 89 99.154 -1.349 -1.463 1.00 0.00 H new ATOM 1238 N PHE A 90 101.108 -2.781 0.049 1.00 0.00 N ATOM 1239 CA PHE A 90 101.329 -3.505 1.341 1.00 0.00 C ATOM 1240 C PHE A 90 102.826 -3.576 1.655 1.00 0.00 C ATOM 1241 O PHE A 90 103.256 -3.280 2.753 1.00 0.00 O ATOM 1242 CB PHE A 90 100.778 -4.914 1.111 1.00 0.00 C ATOM 1243 CG PHE A 90 100.731 -5.649 2.428 1.00 0.00 C ATOM 1244 CD1 PHE A 90 101.861 -6.335 2.889 1.00 0.00 C ATOM 1245 CD2 PHE A 90 99.559 -5.638 3.193 1.00 0.00 C ATOM 1246 CE1 PHE A 90 101.817 -7.011 4.115 1.00 0.00 C ATOM 1247 CE2 PHE A 90 99.515 -6.314 4.418 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.645 -7.001 4.879 1.00 0.00 C ATOM 0 H PHE A 90 100.640 -3.325 -0.676 1.00 0.00 H new ATOM 0 HA PHE A 90 100.842 -3.004 2.178 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.781 -4.861 0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.407 -5.452 0.403 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.766 -6.343 2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.688 -5.108 2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.689 -7.540 4.471 1.00 0.00 H new ATOM 0 HE2 PHE A 90 98.610 -6.306 5.007 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.612 -7.523 5.824 1.00 0.00 H new ATOM 1258 N THR A 91 103.612 -3.993 0.700 1.00 0.00 N ATOM 1259 CA THR A 91 105.086 -4.123 0.923 1.00 0.00 C ATOM 1260 C THR A 91 105.704 -2.773 1.300 1.00 0.00 C ATOM 1261 O THR A 91 106.590 -2.695 2.123 1.00 0.00 O ATOM 1262 CB THR A 91 105.650 -4.606 -0.418 1.00 0.00 C ATOM 1263 OG1 THR A 91 105.038 -5.838 -0.763 1.00 0.00 O ATOM 1264 CG2 THR A 91 107.160 -4.819 -0.296 1.00 0.00 C ATOM 0 H THR A 91 103.296 -4.252 -0.234 1.00 0.00 H new ATOM 0 HA THR A 91 105.310 -4.809 1.740 1.00 0.00 H new ATOM 0 HB THR A 91 105.448 -3.859 -1.185 1.00 0.00 H new ATOM 0 HG1 THR A 91 104.187 -5.665 -1.218 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.557 -5.162 -1.251 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.639 -3.879 -0.020 1.00 0.00 H new ATOM 0 HG23 THR A 91 107.361 -5.567 0.471 1.00 0.00 H new ATOM 1272 N LYS A 92 105.261 -1.720 0.670 1.00 0.00 N ATOM 1273 CA LYS A 92 105.839 -0.373 0.970 1.00 0.00 C ATOM 1274 C LYS A 92 105.463 0.105 2.379 1.00 0.00 C ATOM 1275 O LYS A 92 106.271 0.699 3.069 1.00 0.00 O ATOM 1276 CB LYS A 92 105.243 0.561 -0.080 1.00 0.00 C ATOM 1277 CG LYS A 92 105.835 0.234 -1.453 1.00 0.00 C ATOM 1278 CD LYS A 92 105.235 1.172 -2.504 1.00 0.00 C ATOM 1279 CE LYS A 92 105.825 0.847 -3.878 1.00 0.00 C ATOM 1280 NZ LYS A 92 104.968 1.582 -4.849 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.526 -1.730 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 92 106.928 -0.398 0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 92 104.159 0.452 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.453 1.598 0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.919 0.344 -1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.625 -0.803 -1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 92 104.151 1.062 -2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.445 2.209 -2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 92 106.864 1.168 -3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 92 105.809 -0.226 -4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 105.311 1.408 -5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 103.986 1.251 -4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 105.008 2.601 -4.646 1.00 0.00 H new ATOM 1294 N LEU A 93 104.248 -0.130 2.800 1.00 0.00 N ATOM 1295 CA LEU A 93 103.824 0.336 4.161 1.00 0.00 C ATOM 1296 C LEU A 93 104.512 -0.458 5.283 1.00 0.00 C ATOM 1297 O LEU A 93 104.881 0.099 6.299 1.00 0.00 O ATOM 1298 CB LEU A 93 102.308 0.123 4.197 1.00 0.00 C ATOM 1299 CG LEU A 93 101.740 0.520 5.568 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.856 2.034 5.766 1.00 0.00 C ATOM 1301 CD2 LEU A 93 100.267 0.097 5.652 1.00 0.00 C ATOM 0 H LEU A 93 103.531 -0.622 2.266 1.00 0.00 H new ATOM 0 HA LEU A 93 104.104 1.376 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.833 0.715 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 93 102.077 -0.922 3.990 1.00 0.00 H new ATOM 0 HG LEU A 93 102.308 0.018 6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.451 2.306 6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.904 2.328 5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.296 2.547 4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.863 0.378 6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.700 0.595 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.191 -0.983 5.526 1.00 0.00 H new ATOM 1313 N VAL A 94 104.650 -1.748 5.129 1.00 0.00 N ATOM 1314 CA VAL A 94 105.273 -2.571 6.222 1.00 0.00 C ATOM 1315 C VAL A 94 106.763 -2.807 5.962 1.00 0.00 C ATOM 1316 O VAL A 94 107.563 -2.858 6.877 1.00 0.00 O ATOM 1317 CB VAL A 94 104.505 -3.900 6.202 1.00 0.00 C ATOM 1318 CG1 VAL A 94 105.033 -4.826 7.303 1.00 0.00 C ATOM 1319 CG2 VAL A 94 103.013 -3.643 6.447 1.00 0.00 C ATOM 0 H VAL A 94 104.362 -2.270 4.301 1.00 0.00 H new ATOM 0 HA VAL A 94 105.211 -2.070 7.188 1.00 0.00 H new ATOM 0 HB VAL A 94 104.645 -4.369 5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 94 104.483 -5.767 7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 94 106.092 -5.021 7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.900 -4.349 8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 94 102.473 -4.590 6.432 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.881 -3.166 7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.623 -2.990 5.666 1.00 0.00 H new ATOM 1329 N GLY A 95 107.128 -2.972 4.726 1.00 0.00 N ATOM 1330 CA GLY A 95 108.554 -3.230 4.376 1.00 0.00 C ATOM 1331 C GLY A 95 108.622 -4.520 3.565 1.00 0.00 C ATOM 1332 O GLY A 95 109.367 -4.631 2.610 1.00 0.00 O ATOM 0 H GLY A 95 106.492 -2.939 3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.960 -2.398 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 95 109.157 -3.317 5.280 1.00 0.00 H new ATOM 1336 N SER A 96 107.827 -5.487 3.934 1.00 0.00 N ATOM 1337 CA SER A 96 107.804 -6.777 3.189 1.00 0.00 C ATOM 1338 C SER A 96 106.405 -7.391 3.285 1.00 0.00 C ATOM 1339 O SER A 96 105.821 -7.441 4.353 1.00 0.00 O ATOM 1340 CB SER A 96 108.833 -7.662 3.888 1.00 0.00 C ATOM 1341 OG SER A 96 109.004 -8.861 3.144 1.00 0.00 O ATOM 0 H SER A 96 107.187 -5.438 4.727 1.00 0.00 H new ATOM 0 HA SER A 96 108.037 -6.658 2.131 1.00 0.00 H new ATOM 0 HB2 SER A 96 109.783 -7.136 3.975 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.503 -7.893 4.901 1.00 0.00 H new ATOM 0 HG SER A 96 109.665 -9.431 3.589 1.00 0.00 H new ATOM 1347 N THR A 97 105.858 -7.851 2.186 1.00 0.00 N ATOM 1348 CA THR A 97 104.492 -8.450 2.235 1.00 0.00 C ATOM 1349 C THR A 97 104.573 -9.959 2.490 1.00 0.00 C ATOM 1350 O THR A 97 104.225 -10.761 1.643 1.00 0.00 O ATOM 1351 CB THR A 97 103.859 -8.147 0.871 1.00 0.00 C ATOM 1352 OG1 THR A 97 102.529 -8.646 0.849 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.665 -8.802 -0.248 1.00 0.00 C ATOM 0 H THR A 97 106.296 -7.837 1.265 1.00 0.00 H new ATOM 0 HA THR A 97 103.895 -8.035 3.047 1.00 0.00 H new ATOM 0 HB THR A 97 103.854 -7.068 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 97 101.966 -8.101 1.438 1.00 0.00 H new ATOM 0 HG21 THR A 97 104.202 -8.577 -1.209 1.00 0.00 H new ATOM 0 HG22 THR A 97 105.684 -8.416 -0.237 1.00 0.00 H new ATOM 0 HG23 THR A 97 104.685 -9.882 -0.098 1.00 0.00 H new ATOM 1361 N GLU A 98 105.025 -10.345 3.656 1.00 0.00 N ATOM 1362 CA GLU A 98 105.125 -11.798 3.985 1.00 0.00 C ATOM 1363 C GLU A 98 104.167 -12.161 5.127 1.00 0.00 C ATOM 1364 O GLU A 98 103.722 -13.288 5.239 1.00 0.00 O ATOM 1365 CB GLU A 98 106.586 -12.035 4.395 1.00 0.00 C ATOM 1366 CG GLU A 98 106.923 -11.221 5.645 1.00 0.00 C ATOM 1367 CD GLU A 98 108.382 -11.456 6.058 1.00 0.00 C ATOM 1368 OE1 GLU A 98 108.960 -12.439 5.617 1.00 0.00 O1- ATOM 1369 OE2 GLU A 98 108.896 -10.647 6.812 1.00 0.00 O ATOM 0 H GLU A 98 105.330 -9.713 4.397 1.00 0.00 H new ATOM 0 HA GLU A 98 104.846 -12.423 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.750 -13.095 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 98 107.251 -11.753 3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 98 106.759 -10.161 5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 98 106.257 -11.503 6.461 1.00 0.00 H new ATOM 1376 N ALA A 99 103.854 -11.214 5.977 1.00 0.00 N ATOM 1377 CA ALA A 99 102.930 -11.498 7.119 1.00 0.00 C ATOM 1378 C ALA A 99 101.566 -11.964 6.604 1.00 0.00 C ATOM 1379 O ALA A 99 100.953 -12.852 7.166 1.00 0.00 O ATOM 1380 CB ALA A 99 102.790 -10.169 7.865 1.00 0.00 C ATOM 0 H ALA A 99 104.199 -10.255 5.929 1.00 0.00 H new ATOM 0 HA ALA A 99 103.314 -12.290 7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.125 -10.299 8.718 1.00 0.00 H new ATOM 0 HB2 ALA A 99 103.770 -9.843 8.215 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.376 -9.417 7.194 1.00 0.00 H new ATOM 1386 N GLY A 100 101.084 -11.361 5.548 1.00 0.00 N ATOM 1387 CA GLY A 100 99.755 -11.750 4.998 1.00 0.00 C ATOM 1388 C GLY A 100 98.726 -10.697 5.409 1.00 0.00 C ATOM 1389 O GLY A 100 97.997 -10.171 4.589 1.00 0.00 O ATOM 0 H GLY A 100 101.558 -10.613 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.804 -11.827 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.463 -12.730 5.374 1.00 0.00 H new ATOM 1393 N ARG A 101 98.675 -10.381 6.677 1.00 0.00 N ATOM 1394 CA ARG A 101 97.713 -9.355 7.164 1.00 0.00 C ATOM 1395 C ARG A 101 98.191 -8.771 8.500 1.00 0.00 C ATOM 1396 O ARG A 101 98.991 -9.369 9.195 1.00 0.00 O ATOM 1397 CB ARG A 101 96.389 -10.100 7.325 1.00 0.00 C ATOM 1398 CG ARG A 101 96.509 -11.189 8.392 1.00 0.00 C ATOM 1399 CD ARG A 101 95.168 -11.906 8.508 1.00 0.00 C ATOM 1400 NE ARG A 101 95.376 -12.969 9.527 1.00 0.00 N ATOM 1401 CZ ARG A 101 94.507 -13.129 10.489 1.00 0.00 C ATOM 1402 NH1 ARG A 101 93.241 -13.269 10.206 1.00 0.00 N1+ ATOM 1403 NH2 ARG A 101 94.905 -13.147 11.732 1.00 0.00 N ATOM 0 H ARG A 101 99.264 -10.795 7.399 1.00 0.00 H new ATOM 0 HA ARG A 101 97.617 -8.513 6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.602 -9.398 7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 101 96.099 -10.546 6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 101 97.294 -11.896 8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 101 96.788 -10.751 9.350 1.00 0.00 H new ATOM 0 HD2 ARG A 101 94.380 -11.218 8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 101 94.866 -12.332 7.551 1.00 0.00 H new ATOM 0 HE ARG A 101 96.197 -13.573 9.475 1.00 0.00 H new ATOM 0 HH11 ARG A 101 92.931 -13.253 9.234 1.00 0.00 H new ATOM 0 HH12 ARG A 101 92.561 -13.394 10.956 1.00 0.00 H new ATOM 0 HH21 ARG A 101 95.895 -13.036 11.952 1.00 0.00 H new ATOM 0 HH22 ARG A 101 94.226 -13.272 12.483 1.00 0.00 H new ATOM 1417 N VAL A 102 97.704 -7.614 8.860 1.00 0.00 N ATOM 1418 CA VAL A 102 98.122 -6.986 10.150 1.00 0.00 C ATOM 1419 C VAL A 102 96.885 -6.589 10.959 1.00 0.00 C ATOM 1420 O VAL A 102 95.982 -5.960 10.446 1.00 0.00 O ATOM 1421 CB VAL A 102 98.933 -5.748 9.750 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.420 -5.017 11.004 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.146 -6.176 8.918 1.00 0.00 C ATOM 0 H VAL A 102 97.032 -7.074 8.315 1.00 0.00 H new ATOM 0 HA VAL A 102 98.707 -7.663 10.773 1.00 0.00 H new ATOM 0 HB VAL A 102 98.299 -5.083 9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 102 99.996 -4.138 10.713 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.562 -4.707 11.601 1.00 0.00 H new ATOM 0 HG13 VAL A 102 100.050 -5.684 11.593 1.00 0.00 H new ATOM 0 HG21 VAL A 102 100.722 -5.295 8.634 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.773 -6.845 9.507 1.00 0.00 H new ATOM 0 HG23 VAL A 102 99.807 -6.693 8.020 1.00 0.00 H new ATOM 1433 N ASP A 103 96.832 -6.968 12.212 1.00 0.00 N ATOM 1434 CA ASP A 103 95.642 -6.618 13.045 1.00 0.00 C ATOM 1435 C ASP A 103 95.936 -5.378 13.892 1.00 0.00 C ATOM 1436 O ASP A 103 97.060 -4.920 13.970 1.00 0.00 O ATOM 1437 CB ASP A 103 95.384 -7.838 13.931 1.00 0.00 C ATOM 1438 CG ASP A 103 94.877 -9.015 13.087 1.00 0.00 C ATOM 1439 OD1 ASP A 103 94.508 -8.796 11.943 1.00 0.00 O ATOM 1440 OD2 ASP A 103 94.864 -10.121 13.603 1.00 0.00 O1- ATOM 0 H ASP A 103 97.557 -7.502 12.691 1.00 0.00 H new ATOM 0 HA ASP A 103 94.771 -6.383 12.434 1.00 0.00 H new ATOM 0 HB2 ASP A 103 96.301 -8.121 14.447 1.00 0.00 H new ATOM 0 HB3 ASP A 103 94.650 -7.590 14.698 1.00 0.00 H new ATOM 1445 N ASN A 104 94.925 -4.828 14.522 1.00 0.00 N ATOM 1446 CA ASN A 104 95.121 -3.605 15.369 1.00 0.00 C ATOM 1447 C ASN A 104 95.668 -2.456 14.520 1.00 0.00 C ATOM 1448 O ASN A 104 96.549 -1.727 14.935 1.00 0.00 O ATOM 1449 CB ASN A 104 96.127 -3.992 16.461 1.00 0.00 C ATOM 1450 CG ASN A 104 96.043 -2.986 17.611 1.00 0.00 C ATOM 1451 OD1 ASN A 104 94.983 -2.473 17.908 1.00 0.00 O ATOM 1452 ND2 ASN A 104 97.125 -2.678 18.273 1.00 0.00 N ATOM 0 H ASN A 104 93.966 -5.175 14.486 1.00 0.00 H new ATOM 0 HA ASN A 104 94.180 -3.268 15.804 1.00 0.00 H new ATOM 0 HB2 ASN A 104 95.915 -4.997 16.826 1.00 0.00 H new ATOM 0 HB3 ASN A 104 97.137 -4.008 16.051 1.00 0.00 H new ATOM 0 HD21 ASN A 104 97.080 -2.007 19.040 1.00 0.00 H new ATOM 0 HD22 ASN A 104 98.015 -3.109 18.024 1.00 0.00 H new ATOM 1459 N VAL A 105 95.153 -2.306 13.328 1.00 0.00 N ATOM 1460 CA VAL A 105 95.645 -1.214 12.433 1.00 0.00 C ATOM 1461 C VAL A 105 94.841 0.066 12.669 1.00 0.00 C ATOM 1462 O VAL A 105 93.636 0.074 12.517 1.00 0.00 O ATOM 1463 CB VAL A 105 95.429 -1.725 11.008 1.00 0.00 C ATOM 1464 CG1 VAL A 105 95.908 -0.672 10.001 1.00 0.00 C ATOM 1465 CG2 VAL A 105 96.211 -3.028 10.801 1.00 0.00 C ATOM 0 H VAL A 105 94.415 -2.890 12.935 1.00 0.00 H new ATOM 0 HA VAL A 105 96.692 -0.975 12.621 1.00 0.00 H new ATOM 0 HB VAL A 105 94.367 -1.914 10.853 1.00 0.00 H new ATOM 0 HG11 VAL A 105 95.752 -1.041 8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.344 0.250 10.143 1.00 0.00 H new ATOM 0 HG13 VAL A 105 96.969 -0.476 10.157 1.00 0.00 H new ATOM 0 HG21 VAL A 105 96.054 -3.389 9.784 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.273 -2.844 10.961 1.00 0.00 H new ATOM 0 HG23 VAL A 105 95.862 -3.779 11.510 1.00 0.00 H new ATOM 1475 N ASN A 106 95.487 1.150 13.027 1.00 0.00 N ATOM 1476 CA ASN A 106 94.715 2.408 13.249 1.00 0.00 C ATOM 1477 C ASN A 106 94.429 3.064 11.900 1.00 0.00 C ATOM 1478 O ASN A 106 95.283 3.132 11.035 1.00 0.00 O ATOM 1479 CB ASN A 106 95.579 3.300 14.140 1.00 0.00 C ATOM 1480 CG ASN A 106 94.782 4.545 14.548 1.00 0.00 C ATOM 1481 OD1 ASN A 106 93.779 4.869 13.940 1.00 0.00 O ATOM 1482 ND2 ASN A 106 95.190 5.263 15.558 1.00 0.00 N ATOM 0 H ASN A 106 96.494 1.217 13.172 1.00 0.00 H new ATOM 0 HA ASN A 106 93.755 2.225 13.731 1.00 0.00 H new ATOM 0 HB2 ASN A 106 95.893 2.750 15.027 1.00 0.00 H new ATOM 0 HB3 ASN A 106 96.485 3.593 13.609 1.00 0.00 H new ATOM 0 HD21 ASN A 106 94.668 6.094 15.837 1.00 0.00 H new ATOM 0 HD22 ASN A 106 96.030 4.993 16.069 1.00 0.00 H new ATOM 1489 N TYR A 107 93.223 3.526 11.716 1.00 0.00 N ATOM 1490 CA TYR A 107 92.848 4.160 10.418 1.00 0.00 C ATOM 1491 C TYR A 107 92.069 5.459 10.632 1.00 0.00 C ATOM 1492 O TYR A 107 91.237 5.558 11.512 1.00 0.00 O ATOM 1493 CB TYR A 107 91.967 3.127 9.699 1.00 0.00 C ATOM 1494 CG TYR A 107 90.819 2.690 10.582 1.00 0.00 C ATOM 1495 CD1 TYR A 107 90.978 1.592 11.435 1.00 0.00 C ATOM 1496 CD2 TYR A 107 89.600 3.376 10.542 1.00 0.00 C ATOM 1497 CE1 TYR A 107 89.919 1.179 12.250 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.539 2.963 11.358 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.699 1.864 12.212 1.00 0.00 C ATOM 1500 OH TYR A 107 87.654 1.455 13.015 1.00 0.00 O ATOM 0 H TYR A 107 92.477 3.492 12.411 1.00 0.00 H new ATOM 0 HA TYR A 107 93.734 4.424 9.841 1.00 0.00 H new ATOM 0 HB2 TYR A 107 91.578 3.555 8.775 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.568 2.261 9.421 1.00 0.00 H new ATOM 0 HD1 TYR A 107 91.919 1.063 11.464 1.00 0.00 H new ATOM 0 HD2 TYR A 107 89.477 4.223 9.883 1.00 0.00 H new ATOM 0 HE1 TYR A 107 90.043 0.332 12.908 1.00 0.00 H new ATOM 0 HE2 TYR A 107 87.598 3.492 11.329 1.00 0.00 H new ATOM 0 HH TYR A 107 86.880 2.038 12.867 1.00 0.00 H new ATOM 1510 N VAL A 108 92.334 6.453 9.819 1.00 0.00 N ATOM 1511 CA VAL A 108 91.610 7.756 9.956 1.00 0.00 C ATOM 1512 C VAL A 108 91.406 8.407 8.583 1.00 0.00 C ATOM 1513 O VAL A 108 92.246 8.313 7.709 1.00 0.00 O ATOM 1514 CB VAL A 108 92.502 8.637 10.837 1.00 0.00 C ATOM 1515 CG1 VAL A 108 92.628 8.011 12.227 1.00 0.00 C ATOM 1516 CG2 VAL A 108 93.894 8.769 10.210 1.00 0.00 C ATOM 0 H VAL A 108 93.021 6.418 9.066 1.00 0.00 H new ATOM 0 HA VAL A 108 90.621 7.619 10.393 1.00 0.00 H new ATOM 0 HB VAL A 108 92.052 9.626 10.920 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.263 8.639 12.853 1.00 0.00 H new ATOM 0 HG12 VAL A 108 91.640 7.929 12.680 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.071 7.019 12.140 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.520 9.397 10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.346 7.782 10.117 1.00 0.00 H new ATOM 0 HG23 VAL A 108 93.807 9.222 9.223 1.00 0.00 H new ATOM 1526 N GLN A 109 90.296 9.077 8.399 1.00 0.00 N ATOM 1527 CA GLN A 109 90.026 9.756 7.093 1.00 0.00 C ATOM 1528 C GLN A 109 90.903 10.999 6.950 1.00 0.00 C ATOM 1529 O GLN A 109 91.170 11.692 7.914 1.00 0.00 O ATOM 1530 CB GLN A 109 88.553 10.160 7.144 1.00 0.00 C ATOM 1531 CG GLN A 109 88.123 10.696 5.781 1.00 0.00 C ATOM 1532 CD GLN A 109 86.649 11.102 5.832 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.233 11.816 6.722 1.00 0.00 O ATOM 1534 NE2 GLN A 109 85.836 10.672 4.906 1.00 0.00 N ATOM 0 H GLN A 109 89.562 9.184 9.099 1.00 0.00 H new ATOM 0 HA GLN A 109 90.244 9.105 6.246 1.00 0.00 H new ATOM 0 HB2 GLN A 109 87.939 9.302 7.419 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.400 10.920 7.910 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.738 11.553 5.505 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.275 9.935 5.015 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.186 10.072 4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 109 84.851 10.936 4.930 1.00 0.00 H new ATOM 1543 N VAL A 110 91.347 11.288 5.753 1.00 0.00 N ATOM 1544 CA VAL A 110 92.204 12.491 5.542 1.00 0.00 C ATOM 1545 C VAL A 110 91.789 13.229 4.262 1.00 0.00 C ATOM 1546 O VAL A 110 91.015 12.727 3.469 1.00 0.00 O ATOM 1547 CB VAL A 110 93.638 11.964 5.425 1.00 0.00 C ATOM 1548 CG1 VAL A 110 94.041 11.279 6.732 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.732 10.956 4.275 1.00 0.00 C ATOM 0 H VAL A 110 91.152 10.742 4.914 1.00 0.00 H new ATOM 0 HA VAL A 110 92.107 13.204 6.361 1.00 0.00 H new ATOM 0 HB VAL A 110 94.309 12.800 5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.061 10.905 6.647 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.985 11.996 7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.365 10.447 6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.754 10.586 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.057 10.122 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.451 11.442 3.341 1.00 0.00 H new ATOM 1559 N ASP A 111 92.298 14.420 4.063 1.00 0.00 N ATOM 1560 CA ASP A 111 91.939 15.206 2.840 1.00 0.00 C ATOM 1561 C ASP A 111 92.341 14.441 1.575 1.00 0.00 C ATOM 1562 O ASP A 111 93.348 13.760 1.544 1.00 0.00 O ATOM 1563 CB ASP A 111 92.731 16.511 2.949 1.00 0.00 C ATOM 1564 CG ASP A 111 92.165 17.374 4.082 1.00 0.00 C ATOM 1565 OD1 ASP A 111 90.994 17.223 4.396 1.00 0.00 O1- ATOM 1566 OD2 ASP A 111 92.912 18.178 4.614 1.00 0.00 O ATOM 0 H ASP A 111 92.949 14.884 4.697 1.00 0.00 H new ATOM 0 HA ASP A 111 90.866 15.386 2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 111 93.782 16.293 3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 111 92.682 17.056 2.006 1.00 0.00 H new ATOM 1571 N LEU A 112 91.553 14.546 0.536 1.00 0.00 N ATOM 1572 CA LEU A 112 91.865 13.825 -0.737 1.00 0.00 C ATOM 1573 C LEU A 112 93.213 14.281 -1.311 1.00 0.00 C ATOM 1574 O LEU A 112 93.970 13.493 -1.843 1.00 0.00 O ATOM 1575 CB LEU A 112 90.738 14.192 -1.700 1.00 0.00 C ATOM 1576 CG LEU A 112 90.944 13.464 -3.033 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.590 13.111 -3.647 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.714 14.371 -3.995 1.00 0.00 C ATOM 0 H LEU A 112 90.700 15.105 0.514 1.00 0.00 H new ATOM 0 HA LEU A 112 91.937 12.750 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.775 13.918 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.720 15.270 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 112 91.510 12.549 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.744 12.594 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 112 89.039 12.463 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 112 89.020 14.024 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.861 13.854 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.147 15.286 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.683 14.620 -3.563 1.00 0.00 H new ATOM 1590 N SER A 113 93.491 15.556 -1.239 1.00 0.00 N ATOM 1591 CA SER A 113 94.765 16.093 -1.812 1.00 0.00 C ATOM 1592 C SER A 113 95.988 15.362 -1.250 1.00 0.00 C ATOM 1593 O SER A 113 96.969 15.176 -1.941 1.00 0.00 O ATOM 1594 CB SER A 113 94.798 17.564 -1.402 1.00 0.00 C ATOM 1595 OG SER A 113 93.672 18.231 -1.957 1.00 0.00 O ATOM 0 H SER A 113 92.887 16.255 -0.805 1.00 0.00 H new ATOM 0 HA SER A 113 94.798 15.958 -2.893 1.00 0.00 H new ATOM 0 HB2 SER A 113 94.788 17.651 -0.316 1.00 0.00 H new ATOM 0 HB3 SER A 113 95.720 18.030 -1.750 1.00 0.00 H new ATOM 0 HG SER A 113 93.689 19.175 -1.695 1.00 0.00 H new ATOM 1601 N ASN A 114 95.956 14.974 -0.002 1.00 0.00 N ATOM 1602 CA ASN A 114 97.140 14.281 0.602 1.00 0.00 C ATOM 1603 C ASN A 114 97.322 12.873 0.022 1.00 0.00 C ATOM 1604 O ASN A 114 98.416 12.338 0.040 1.00 0.00 O ATOM 1605 CB ASN A 114 96.853 14.211 2.103 1.00 0.00 C ATOM 1606 CG ASN A 114 96.937 15.614 2.710 1.00 0.00 C ATOM 1607 OD1 ASN A 114 97.536 16.505 2.138 1.00 0.00 O ATOM 1608 ND2 ASN A 114 96.359 15.851 3.856 1.00 0.00 N ATOM 0 H ASN A 114 95.164 15.105 0.627 1.00 0.00 H new ATOM 0 HA ASN A 114 98.063 14.820 0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.863 13.789 2.274 1.00 0.00 H new ATOM 0 HB3 ASN A 114 97.570 13.550 2.590 1.00 0.00 H new ATOM 0 HD21 ASN A 114 96.410 16.782 4.270 1.00 0.00 H new ATOM 0 HD22 ASN A 114 95.856 15.105 4.337 1.00 0.00 H new ATOM 1615 N CYS A 115 96.289 12.284 -0.521 1.00 0.00 N ATOM 1616 CA CYS A 115 96.442 10.929 -1.133 1.00 0.00 C ATOM 1617 C CYS A 115 97.148 11.059 -2.478 1.00 0.00 C ATOM 1618 O CYS A 115 98.091 10.348 -2.772 1.00 0.00 O ATOM 1619 CB CYS A 115 95.025 10.414 -1.351 1.00 0.00 C ATOM 1620 SG CYS A 115 94.213 10.177 0.242 1.00 0.00 S ATOM 0 H CYS A 115 95.350 12.679 -0.568 1.00 0.00 H new ATOM 0 HA CYS A 115 97.026 10.259 -0.502 1.00 0.00 H new ATOM 0 HB2 CYS A 115 94.459 11.122 -1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 115 95.050 9.473 -1.901 1.00 0.00 H new ATOM 1625 N ILE A 116 96.685 11.965 -3.295 1.00 0.00 N ATOM 1626 CA ILE A 116 97.308 12.160 -4.636 1.00 0.00 C ATOM 1627 C ILE A 116 98.697 12.778 -4.476 1.00 0.00 C ATOM 1628 O ILE A 116 99.635 12.412 -5.160 1.00 0.00 O ATOM 1629 CB ILE A 116 96.353 13.094 -5.386 1.00 0.00 C ATOM 1630 CG1 ILE A 116 94.995 12.410 -5.534 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.908 13.414 -6.774 1.00 0.00 C ATOM 1632 CD1 ILE A 116 93.968 13.418 -6.054 1.00 0.00 C ATOM 0 H ILE A 116 95.898 12.582 -3.091 1.00 0.00 H new ATOM 0 HA ILE A 116 97.448 11.226 -5.180 1.00 0.00 H new ATOM 0 HB ILE A 116 96.246 14.021 -4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 116 95.073 11.568 -6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.672 12.009 -4.574 1.00 0.00 H new ATOM 0 HG21 ILE A 116 96.220 14.078 -7.297 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.878 13.901 -6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 116 97.022 12.491 -7.342 1.00 0.00 H new ATOM 0 HD11 ILE A 116 92.999 12.929 -6.159 1.00 0.00 H new ATOM 0 HD12 ILE A 116 93.882 14.246 -5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 116 94.290 13.798 -7.024 1.00 0.00 H new ATOM 1644 N ASN A 117 98.832 13.710 -3.567 1.00 0.00 N ATOM 1645 CA ASN A 117 100.159 14.358 -3.344 1.00 0.00 C ATOM 1646 C ASN A 117 101.149 13.345 -2.763 1.00 0.00 C ATOM 1647 O ASN A 117 102.311 13.323 -3.120 1.00 0.00 O ATOM 1648 CB ASN A 117 99.897 15.483 -2.341 1.00 0.00 C ATOM 1649 CG ASN A 117 99.086 16.596 -3.011 1.00 0.00 C ATOM 1650 OD1 ASN A 117 99.068 16.709 -4.221 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.412 17.430 -2.268 1.00 0.00 N ATOM 0 H ASN A 117 98.079 14.050 -2.969 1.00 0.00 H new ATOM 0 HA ASN A 117 100.591 14.735 -4.271 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.356 15.095 -1.478 1.00 0.00 H new ATOM 0 HB3 ASN A 117 100.842 15.881 -1.972 1.00 0.00 H new ATOM 0 HD21 ASN A 117 97.870 18.177 -2.703 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.427 17.335 -1.253 1.00 0.00 H new ATOM 1658 N GLY A 118 100.693 12.513 -1.861 1.00 0.00 N ATOM 1659 CA GLY A 118 101.595 11.502 -1.238 1.00 0.00 C ATOM 1660 C GLY A 118 101.999 10.446 -2.270 1.00 0.00 C ATOM 1661 O GLY A 118 103.166 10.139 -2.429 1.00 0.00 O ATOM 0 H GLY A 118 99.729 12.492 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.484 11.992 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 118 101.092 11.025 -0.397 1.00 0.00 H new ATOM 1665 N ALA A 119 101.043 9.889 -2.969 1.00 0.00 N ATOM 1666 CA ALA A 119 101.367 8.844 -3.991 1.00 0.00 C ATOM 1667 C ALA A 119 102.285 9.422 -5.073 1.00 0.00 C ATOM 1668 O ALA A 119 103.201 8.767 -5.532 1.00 0.00 O ATOM 1669 CB ALA A 119 100.021 8.437 -4.592 1.00 0.00 C ATOM 0 H ALA A 119 100.052 10.112 -2.877 1.00 0.00 H new ATOM 0 HA ALA A 119 101.890 7.994 -3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 119 100.178 7.671 -5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 119 99.376 8.042 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 119 99.547 9.307 -5.046 1.00 0.00 H new ATOM 1675 N ASN A 120 102.042 10.641 -5.481 1.00 0.00 N ATOM 1676 CA ASN A 120 102.892 11.267 -6.536 1.00 0.00 C ATOM 1677 C ASN A 120 104.000 12.109 -5.896 1.00 0.00 C ATOM 1678 O ASN A 120 104.140 12.047 -4.687 1.00 0.00 O ATOM 1679 CB ASN A 120 101.941 12.156 -7.343 1.00 0.00 C ATOM 1680 CG ASN A 120 100.831 11.300 -7.956 1.00 0.00 C ATOM 1681 OD1 ASN A 120 101.099 10.290 -8.578 1.00 0.00 O ATOM 1682 ND2 ASN A 120 99.586 11.663 -7.808 1.00 0.00 N ATOM 1683 OXT ASN A 120 104.689 12.801 -6.629 1.00 0.00 O ATOM 0 H ASN A 120 101.289 11.231 -5.127 1.00 0.00 H new ATOM 0 HA ASN A 120 103.382 10.522 -7.163 1.00 0.00 H new ATOM 0 HB2 ASN A 120 101.509 12.922 -6.699 1.00 0.00 H new ATOM 0 HB3 ASN A 120 102.491 12.674 -8.129 1.00 0.00 H new ATOM 0 HD21 ASN A 120 98.839 11.100 -8.214 1.00 0.00 H new ATOM 0 HD22 ASN A 120 99.360 12.510 -7.286 1.00 0.00 H new TER 1690 ASN A 120