USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 673 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 27 TYR OH : rot 16:sc= 0.829 USER MOD Set 1.2: A 41 THR OG1 : rot 180:sc= 0.732 USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 170:sc= -0.857 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.802 K(o=-0.8,f=-3.7) USER MOD Single : A 11 TYR OH : rot -15:sc= -1.83 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.39) USER MOD Single : A 21 ASN : amide:sc= 0.198 K(o=0.2,f=-3.2!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.626 X(o=-0.63,f=-0.23) USER MOD Single : A 29 ASN : amide:sc= -0.0757 K(o=-0.076,f=-4.1!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 37:sc= 1.08 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00436 USER MOD Single : A 38 TYR OH : rot 100:sc= 0.39 USER MOD Single : A 40 HIS : no HE2:sc= -0.299 X(o=-0.3,f=-0.092) USER MOD Single : A 42 TYR OH : rot 130:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.0112 K(o=-0.011,f=-1.6) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -3.14 K(o=-3.1,f=-4.2!) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= -0.0183 (180deg=-0.141) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0927 USER MOD Single : A 71 SER OG : rot 43:sc= 0.272 USER MOD Single : A 80 ASN : amide:sc= -1.76 K(o=-1.8,f=-2.3) USER MOD Single : A 81 THR OG1 : rot -52:sc= 0.19 USER MOD Single : A 82 ASN : amide:sc= 0.0582 X(o=0.058,f=-0.016) USER MOD Single : A 85 TYR OH : rot -83:sc= -0.412 USER MOD Single : A 90 THR OG1 : rot 68:sc= 1.13 USER MOD Single : A 91 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-2.9!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 95 SER OG : rot 180:sc= 0.00955 USER MOD Single : A 97 ASN : amide:sc= -0.119 K(o=-0.12,f=-1!) USER MOD Single : A 98 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 103 SER OG : rot -56:sc= 0.259 USER MOD Single : A 105 THR OG1 : rot 93:sc= 0.138 USER MOD Single : A 106 ASN : amide:sc= 0.0611 X(o=0.061,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 2.283 9.774 -5.297 1.00 0.00 N HETATM 2 CA PCA A 1 2.498 11.221 -5.185 1.00 0.00 C HETATM 3 CB PCA A 1 1.342 11.748 -4.328 1.00 0.00 C HETATM 4 CG PCA A 1 0.169 10.840 -4.710 1.00 0.00 C HETATM 5 CD PCA A 1 0.865 9.515 -5.020 1.00 0.00 C HETATM 6 OE PCA A 1 0.312 8.417 -4.985 1.00 0.00 O HETATM 7 C PCA A 1 3.885 11.556 -4.637 1.00 0.00 C HETATM 8 O PCA A 1 4.071 11.664 -3.427 1.00 0.00 O HETATM 0 H2 PCA A 1 1.330 9.593 -5.672 1.00 0.00 H new HETATM 0 HA PCA A 1 2.490 11.711 -6.159 1.00 0.00 H new HETATM 0 HB2 PCA A 1 1.569 11.683 -3.264 1.00 0.00 H new HETATM 0 HB3 PCA A 1 1.127 12.794 -4.545 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -0.549 10.741 -3.896 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -0.377 11.223 -5.572 1.00 0.00 H new ATOM 15 N SER A 2 4.854 11.728 -5.546 1.00 0.00 N ATOM 16 CA SER A 2 6.246 12.028 -5.232 1.00 0.00 C ATOM 17 C SER A 2 6.451 13.512 -4.909 1.00 0.00 C ATOM 18 O SER A 2 5.548 14.324 -5.103 1.00 0.00 O ATOM 19 CB SER A 2 7.124 11.612 -6.419 1.00 0.00 C ATOM 20 OG SER A 2 6.973 10.234 -6.684 1.00 0.00 O ATOM 0 H SER A 2 4.679 11.659 -6.549 1.00 0.00 H new ATOM 0 HA SER A 2 6.530 11.466 -4.342 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.851 12.190 -7.302 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.169 11.835 -6.202 1.00 0.00 H new ATOM 0 HG SER A 2 7.538 9.983 -7.445 1.00 0.00 H new ATOM 26 N ALA A 3 7.652 13.836 -4.407 1.00 0.00 N ATOM 27 CA ALA A 3 8.107 15.171 -4.031 1.00 0.00 C ATOM 28 C ALA A 3 7.812 16.227 -5.099 1.00 0.00 C ATOM 29 O ALA A 3 7.733 15.922 -6.289 1.00 0.00 O ATOM 30 CB ALA A 3 9.605 15.119 -3.713 1.00 0.00 C ATOM 0 H ALA A 3 8.368 13.128 -4.246 1.00 0.00 H new ATOM 0 HA ALA A 3 7.548 15.477 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.952 16.113 -3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.778 14.427 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.152 14.780 -4.593 1.00 0.00 H new ATOM 36 N THR A 4 7.665 17.477 -4.646 1.00 0.00 N ATOM 37 CA THR A 4 7.351 18.634 -5.471 1.00 0.00 C ATOM 38 C THR A 4 8.308 19.781 -5.171 1.00 0.00 C ATOM 39 O THR A 4 8.057 20.550 -4.248 1.00 0.00 O ATOM 40 CB THR A 4 5.915 19.100 -5.169 1.00 0.00 C ATOM 41 OG1 THR A 4 5.598 18.827 -3.823 1.00 0.00 O ATOM 42 CG2 THR A 4 4.883 18.484 -6.110 1.00 0.00 C ATOM 0 H THR A 4 7.766 17.712 -3.659 1.00 0.00 H new ATOM 0 HA THR A 4 7.448 18.350 -6.519 1.00 0.00 H new ATOM 0 HB THR A 4 5.877 20.176 -5.339 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.753 19.265 -3.591 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.889 18.849 -5.849 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.114 18.764 -7.138 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.907 17.398 -6.016 1.00 0.00 H new ATOM 50 N THR A 5 9.394 19.908 -5.943 1.00 0.00 N ATOM 51 CA THR A 5 10.351 20.970 -5.797 1.00 0.00 C ATOM 52 C THR A 5 9.889 21.905 -6.913 1.00 0.00 C ATOM 53 O THR A 5 10.263 21.751 -8.075 1.00 0.00 O ATOM 54 CB THR A 5 11.765 20.401 -5.927 1.00 0.00 C ATOM 55 OG1 THR A 5 12.215 19.995 -4.650 1.00 0.00 O ATOM 56 CG2 THR A 5 12.699 21.446 -6.511 1.00 0.00 C ATOM 0 H THR A 5 9.621 19.256 -6.694 1.00 0.00 H new ATOM 0 HA THR A 5 10.397 21.490 -4.840 1.00 0.00 H new ATOM 0 HB THR A 5 11.755 19.542 -6.598 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.120 19.627 -4.724 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.702 21.029 -6.599 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.342 21.743 -7.497 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.724 22.318 -5.857 1.00 0.00 H new ATOM 64 N CYS A 6 9.051 22.872 -6.538 1.00 0.00 N ATOM 65 CA CYS A 6 8.474 23.819 -7.473 1.00 0.00 C ATOM 66 C CYS A 6 9.306 25.095 -7.473 1.00 0.00 C ATOM 67 O CYS A 6 8.918 26.118 -6.907 1.00 0.00 O ATOM 68 CB CYS A 6 6.979 23.971 -7.186 1.00 0.00 C ATOM 69 SG CYS A 6 6.080 22.419 -6.913 1.00 0.00 S ATOM 0 H CYS A 6 8.757 23.015 -5.572 1.00 0.00 H new ATOM 0 HA CYS A 6 8.515 23.467 -8.504 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.857 24.602 -6.306 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.517 24.497 -8.021 1.00 0.00 H new ATOM 74 N GLY A 7 10.472 24.998 -8.127 1.00 0.00 N ATOM 75 CA GLY A 7 11.446 26.064 -8.246 1.00 0.00 C ATOM 76 C GLY A 7 12.233 26.093 -6.940 1.00 0.00 C ATOM 77 O GLY A 7 13.167 25.316 -6.760 1.00 0.00 O ATOM 0 H GLY A 7 10.762 24.142 -8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.109 25.888 -9.093 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.953 27.020 -8.421 1.00 0.00 H new ATOM 81 N SER A 8 11.825 26.995 -6.044 1.00 0.00 N ATOM 82 CA SER A 8 12.398 27.188 -4.718 1.00 0.00 C ATOM 83 C SER A 8 11.354 26.827 -3.660 1.00 0.00 C ATOM 84 O SER A 8 11.716 26.366 -2.579 1.00 0.00 O ATOM 85 CB SER A 8 12.870 28.636 -4.567 1.00 0.00 C ATOM 86 OG SER A 8 13.457 28.826 -3.297 1.00 0.00 O ATOM 0 H SER A 8 11.054 27.635 -6.235 1.00 0.00 H new ATOM 0 HA SER A 8 13.262 26.537 -4.583 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.591 28.875 -5.349 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.027 29.316 -4.692 1.00 0.00 H new ATOM 0 HG SER A 8 13.757 29.755 -3.211 1.00 0.00 H new ATOM 92 N THR A 9 10.066 27.051 -3.971 1.00 0.00 N ATOM 93 CA THR A 9 8.945 26.731 -3.105 1.00 0.00 C ATOM 94 C THR A 9 8.825 25.218 -3.284 1.00 0.00 C ATOM 95 O THR A 9 8.202 24.742 -4.229 1.00 0.00 O ATOM 96 CB THR A 9 7.714 27.537 -3.553 1.00 0.00 C ATOM 97 OG1 THR A 9 7.921 28.906 -3.275 1.00 0.00 O ATOM 98 CG2 THR A 9 6.444 27.066 -2.843 1.00 0.00 C ATOM 0 H THR A 9 9.781 27.470 -4.856 1.00 0.00 H new ATOM 0 HA THR A 9 9.057 26.988 -2.052 1.00 0.00 H new ATOM 0 HB THR A 9 7.583 27.382 -4.624 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.138 29.420 -3.562 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.595 27.658 -3.185 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.268 26.015 -3.071 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.562 27.189 -1.766 1.00 0.00 H new ATOM 106 N ASN A 10 9.447 24.479 -2.360 1.00 0.00 N ATOM 107 CA ASN A 10 9.524 23.027 -2.380 1.00 0.00 C ATOM 108 C ASN A 10 8.778 22.373 -1.224 1.00 0.00 C ATOM 109 O ASN A 10 8.641 22.963 -0.154 1.00 0.00 O ATOM 110 CB ASN A 10 11.006 22.616 -2.362 1.00 0.00 C ATOM 111 CG ASN A 10 11.837 23.258 -3.480 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.301 23.831 -4.427 1.00 0.00 O ATOM 113 ND2 ASN A 10 13.163 23.159 -3.368 1.00 0.00 N ATOM 0 H ASN A 10 9.922 24.892 -1.558 1.00 0.00 H new ATOM 0 HA ASN A 10 9.036 22.677 -3.290 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.438 22.888 -1.399 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.074 21.532 -2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.767 23.566 -4.082 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.573 22.676 -2.568 1.00 0.00 H new ATOM 120 N TYR A 11 8.313 21.138 -1.463 1.00 0.00 N ATOM 121 CA TYR A 11 7.559 20.330 -0.514 1.00 0.00 C ATOM 122 C TYR A 11 7.922 18.850 -0.636 1.00 0.00 C ATOM 123 O TYR A 11 8.539 18.415 -1.611 1.00 0.00 O ATOM 124 CB TYR A 11 6.055 20.462 -0.777 1.00 0.00 C ATOM 125 CG TYR A 11 5.561 21.818 -1.219 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.653 22.913 -0.343 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.012 21.991 -2.502 1.00 0.00 C ATOM 128 CE1 TYR A 11 5.180 24.166 -0.753 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.535 23.244 -2.903 1.00 0.00 C ATOM 130 CZ TYR A 11 4.606 24.329 -2.016 1.00 0.00 C ATOM 131 OH TYR A 11 4.130 25.554 -2.364 1.00 0.00 O ATOM 0 H TYR A 11 8.461 20.665 -2.355 1.00 0.00 H new ATOM 0 HA TYR A 11 7.809 20.692 0.483 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.778 19.734 -1.539 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.525 20.187 0.135 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.085 22.789 0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.958 21.153 -3.181 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.260 25.013 -0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.115 23.375 -3.889 1.00 0.00 H new ATOM 0 HH TYR A 11 4.047 26.113 -1.563 1.00 0.00 H new ATOM 141 N SER A 12 7.508 18.090 0.381 1.00 0.00 N ATOM 142 CA SER A 12 7.705 16.658 0.492 1.00 0.00 C ATOM 143 C SER A 12 6.596 15.909 -0.220 1.00 0.00 C ATOM 144 O SER A 12 5.498 16.429 -0.434 1.00 0.00 O ATOM 145 CB SER A 12 7.748 16.255 1.969 1.00 0.00 C ATOM 146 OG SER A 12 8.702 17.025 2.668 1.00 0.00 O ATOM 0 H SER A 12 7.006 18.480 1.179 1.00 0.00 H new ATOM 0 HA SER A 12 8.652 16.398 0.020 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.764 16.392 2.417 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.994 15.197 2.055 1.00 0.00 H new ATOM 0 HG SER A 12 8.714 16.755 3.610 1.00 0.00 H new ATOM 152 N ALA A 13 6.930 14.666 -0.588 1.00 0.00 N ATOM 153 CA ALA A 13 6.011 13.743 -1.223 1.00 0.00 C ATOM 154 C ALA A 13 4.815 13.569 -0.274 1.00 0.00 C ATOM 155 O ALA A 13 3.736 13.174 -0.709 1.00 0.00 O ATOM 156 CB ALA A 13 6.730 12.405 -1.417 1.00 0.00 C ATOM 0 H ALA A 13 7.862 14.278 -0.446 1.00 0.00 H new ATOM 0 HA ALA A 13 5.671 14.108 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.055 11.695 -1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.607 12.551 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.041 12.015 -0.448 1.00 0.00 H new ATOM 162 N SER A 14 5.025 13.885 1.016 1.00 0.00 N ATOM 163 CA SER A 14 4.017 13.800 2.060 1.00 0.00 C ATOM 164 C SER A 14 2.941 14.866 1.835 1.00 0.00 C ATOM 165 O SER A 14 1.755 14.554 1.914 1.00 0.00 O ATOM 166 CB SER A 14 4.672 13.952 3.435 1.00 0.00 C ATOM 167 OG SER A 14 5.649 12.950 3.621 1.00 0.00 O ATOM 0 H SER A 14 5.928 14.214 1.359 1.00 0.00 H new ATOM 0 HA SER A 14 3.537 12.822 2.022 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.130 14.937 3.521 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.915 13.882 4.216 1.00 0.00 H new ATOM 0 HG SER A 14 6.063 13.057 4.503 1.00 0.00 H new ATOM 173 N GLN A 15 3.346 16.113 1.545 1.00 0.00 N ATOM 174 CA GLN A 15 2.421 17.214 1.292 1.00 0.00 C ATOM 175 C GLN A 15 1.598 16.971 0.030 1.00 0.00 C ATOM 176 O GLN A 15 0.398 17.224 0.031 1.00 0.00 O ATOM 177 CB GLN A 15 3.137 18.571 1.235 1.00 0.00 C ATOM 178 CG GLN A 15 3.469 19.142 2.622 1.00 0.00 C ATOM 179 CD GLN A 15 4.900 18.853 3.074 1.00 0.00 C ATOM 180 OE1 GLN A 15 5.158 17.833 3.710 1.00 0.00 O ATOM 181 NE2 GLN A 15 5.832 19.759 2.757 1.00 0.00 N ATOM 0 H GLN A 15 4.328 16.380 1.481 1.00 0.00 H new ATOM 0 HA GLN A 15 1.735 17.250 2.138 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.059 18.464 0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.510 19.282 0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.311 20.220 2.609 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.775 18.727 3.353 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.574 20.592 2.228 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.800 19.617 3.045 1.00 0.00 H new ATOM 190 N VAL A 16 2.240 16.497 -1.044 1.00 0.00 N ATOM 191 CA VAL A 16 1.566 16.196 -2.307 1.00 0.00 C ATOM 192 C VAL A 16 0.514 15.111 -2.085 1.00 0.00 C ATOM 193 O VAL A 16 -0.615 15.241 -2.551 1.00 0.00 O ATOM 194 CB VAL A 16 2.559 15.730 -3.381 1.00 0.00 C ATOM 195 CG1 VAL A 16 1.887 15.649 -4.759 1.00 0.00 C ATOM 196 CG2 VAL A 16 3.719 16.711 -3.499 1.00 0.00 C ATOM 0 H VAL A 16 3.243 16.312 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 16 1.091 17.112 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 16 2.915 14.745 -3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.614 15.316 -5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.060 14.940 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.509 16.633 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.412 16.364 -4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.337 17.694 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.238 16.777 -2.543 1.00 0.00 H new ATOM 206 N ARG A 17 0.896 14.049 -1.361 1.00 0.00 N ATOM 207 CA ARG A 17 0.028 12.921 -1.069 1.00 0.00 C ATOM 208 C ARG A 17 -1.170 13.379 -0.238 1.00 0.00 C ATOM 209 O ARG A 17 -2.292 12.975 -0.521 1.00 0.00 O ATOM 210 CB ARG A 17 0.824 11.820 -0.359 1.00 0.00 C ATOM 211 CG ARG A 17 0.046 10.497 -0.298 1.00 0.00 C ATOM 212 CD ARG A 17 0.029 9.907 1.115 1.00 0.00 C ATOM 213 NE ARG A 17 -0.917 10.625 1.980 1.00 0.00 N ATOM 214 CZ ARG A 17 -0.625 11.484 2.974 1.00 0.00 C ATOM 215 NH1 ARG A 17 0.637 11.826 3.268 1.00 0.00 N ATOM 216 NH2 ARG A 17 -1.629 12.011 3.688 1.00 0.00 N ATOM 0 H ARG A 17 1.830 13.957 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.357 12.507 -2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.768 11.662 -0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.068 12.144 0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.978 10.662 -0.634 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.495 9.780 -0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.245 8.853 1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.029 9.958 1.545 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.907 10.453 1.808 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.410 11.432 2.732 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.824 12.480 4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.594 11.759 3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.428 12.664 4.445 1.00 0.00 H new ATOM 230 N ALA A 18 -0.935 14.222 0.777 1.00 0.00 N ATOM 231 CA ALA A 18 -1.980 14.754 1.639 1.00 0.00 C ATOM 232 C ALA A 18 -2.941 15.642 0.843 1.00 0.00 C ATOM 233 O ALA A 18 -4.157 15.518 0.983 1.00 0.00 O ATOM 234 CB ALA A 18 -1.346 15.523 2.801 1.00 0.00 C ATOM 0 H ALA A 18 -0.001 14.553 1.019 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.562 13.927 2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.130 15.921 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.709 14.852 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.747 16.345 2.409 1.00 0.00 H new ATOM 240 N ALA A 19 -2.390 16.526 0.003 1.00 0.00 N ATOM 241 CA ALA A 19 -3.144 17.439 -0.842 1.00 0.00 C ATOM 242 C ALA A 19 -3.976 16.668 -1.864 1.00 0.00 C ATOM 243 O ALA A 19 -5.060 17.119 -2.229 1.00 0.00 O ATOM 244 CB ALA A 19 -2.196 18.421 -1.532 1.00 0.00 C ATOM 0 H ALA A 19 -1.380 16.623 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.832 18.008 -0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.771 19.100 -2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.655 18.995 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.485 17.869 -2.147 1.00 0.00 H new ATOM 250 N ALA A 20 -3.467 15.519 -2.331 1.00 0.00 N ATOM 251 CA ALA A 20 -4.163 14.678 -3.286 1.00 0.00 C ATOM 252 C ALA A 20 -5.246 13.873 -2.593 1.00 0.00 C ATOM 253 O ALA A 20 -6.312 13.674 -3.167 1.00 0.00 O ATOM 254 CB ALA A 20 -3.183 13.804 -4.070 1.00 0.00 C ATOM 0 H ALA A 20 -2.557 15.155 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.658 15.314 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.734 13.185 -4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.482 14.439 -4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.633 13.164 -3.380 1.00 0.00 H new ATOM 260 N ASN A 21 -4.978 13.409 -1.371 1.00 0.00 N ATOM 261 CA ASN A 21 -5.964 12.679 -0.597 1.00 0.00 C ATOM 262 C ASN A 21 -7.072 13.668 -0.219 1.00 0.00 C ATOM 263 O ASN A 21 -8.184 13.240 0.077 1.00 0.00 O ATOM 264 CB ASN A 21 -5.334 12.081 0.671 1.00 0.00 C ATOM 265 CG ASN A 21 -4.334 10.946 0.437 1.00 0.00 C ATOM 266 OD1 ASN A 21 -3.752 10.448 1.397 1.00 0.00 O ATOM 267 ND2 ASN A 21 -4.122 10.517 -0.812 1.00 0.00 N ATOM 0 H ASN A 21 -4.081 13.530 -0.901 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.363 11.851 -1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.830 12.879 1.217 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.133 11.711 1.313 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.463 9.758 -0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.619 10.949 -1.591 1.00 0.00 H new ATOM 274 N ALA A 22 -6.789 14.984 -0.245 1.00 0.00 N ATOM 275 CA ALA A 22 -7.764 16.002 0.121 1.00 0.00 C ATOM 276 C ALA A 22 -8.624 16.186 -1.118 1.00 0.00 C ATOM 277 O ALA A 22 -9.829 15.956 -1.071 1.00 0.00 O ATOM 278 CB ALA A 22 -7.073 17.285 0.584 1.00 0.00 C ATOM 0 H ALA A 22 -5.881 15.359 -0.520 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.382 15.711 0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.825 18.027 0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.451 17.070 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.450 17.673 -0.221 1.00 0.00 H new ATOM 284 N ALA A 23 -7.986 16.611 -2.215 1.00 0.00 N ATOM 285 CA ALA A 23 -8.616 16.782 -3.518 1.00 0.00 C ATOM 286 C ALA A 23 -9.584 15.632 -3.829 1.00 0.00 C ATOM 287 O ALA A 23 -10.742 15.871 -4.161 1.00 0.00 O ATOM 288 CB ALA A 23 -7.525 16.862 -4.586 1.00 0.00 C ATOM 0 H ALA A 23 -6.994 16.850 -2.215 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.199 17.703 -3.510 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.984 16.990 -5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.873 17.710 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.939 15.943 -4.577 1.00 0.00 H new ATOM 294 N CYS A 24 -9.098 14.393 -3.705 1.00 0.00 N ATOM 295 CA CYS A 24 -9.842 13.163 -3.929 1.00 0.00 C ATOM 296 C CYS A 24 -11.020 13.043 -2.946 1.00 0.00 C ATOM 297 O CYS A 24 -12.100 12.611 -3.349 1.00 0.00 O ATOM 298 CB CYS A 24 -8.835 12.004 -3.856 1.00 0.00 C ATOM 299 SG CYS A 24 -9.419 10.321 -4.170 1.00 0.00 S ATOM 0 H CYS A 24 -8.130 14.219 -3.433 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.312 13.147 -4.913 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.037 12.215 -4.568 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.387 12.018 -2.862 1.00 0.00 H new ATOM 304 N GLN A 25 -10.828 13.430 -1.672 1.00 0.00 N ATOM 305 CA GLN A 25 -11.854 13.397 -0.624 1.00 0.00 C ATOM 306 C GLN A 25 -12.707 14.680 -0.557 1.00 0.00 C ATOM 307 O GLN A 25 -13.494 14.820 0.377 1.00 0.00 O ATOM 308 CB GLN A 25 -11.198 13.140 0.743 1.00 0.00 C ATOM 309 CG GLN A 25 -10.599 11.730 0.866 1.00 0.00 C ATOM 310 CD GLN A 25 -11.680 10.677 1.102 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.174 10.068 0.156 1.00 0.00 O ATOM 312 NE2 GLN A 25 -12.041 10.457 2.370 1.00 0.00 N ATOM 0 H GLN A 25 -9.931 13.783 -1.338 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.532 12.583 -0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.413 13.878 0.908 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.940 13.283 1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.047 11.488 -0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.884 11.709 1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.604 10.987 3.124 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.754 9.759 2.584 1.00 0.00 H new ATOM 321 N TYR A 26 -12.563 15.622 -1.501 1.00 0.00 N ATOM 322 CA TYR A 26 -13.349 16.860 -1.544 1.00 0.00 C ATOM 323 C TYR A 26 -13.990 17.145 -2.908 1.00 0.00 C ATOM 324 O TYR A 26 -14.831 18.040 -2.982 1.00 0.00 O ATOM 325 CB TYR A 26 -12.476 18.046 -1.105 1.00 0.00 C ATOM 326 CG TYR A 26 -12.350 18.216 0.399 1.00 0.00 C ATOM 327 CD1 TYR A 26 -13.499 18.503 1.162 1.00 0.00 C ATOM 328 CD2 TYR A 26 -11.103 18.099 1.041 1.00 0.00 C ATOM 329 CE1 TYR A 26 -13.401 18.672 2.553 1.00 0.00 C ATOM 330 CE2 TYR A 26 -11.004 18.268 2.433 1.00 0.00 C ATOM 331 CZ TYR A 26 -12.153 18.553 3.190 1.00 0.00 C ATOM 332 OH TYR A 26 -12.056 18.726 4.539 1.00 0.00 O ATOM 0 H TYR A 26 -11.890 15.543 -2.263 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.178 16.723 -0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.479 17.923 -1.528 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -12.891 18.961 -1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.459 18.593 0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.219 17.878 0.462 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.284 18.893 3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.045 18.179 2.921 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.124 18.608 4.818 1.00 0.00 H new ATOM 342 N TYR A 27 -13.622 16.411 -3.968 1.00 0.00 N ATOM 343 CA TYR A 27 -14.147 16.602 -5.320 1.00 0.00 C ATOM 344 C TYR A 27 -14.964 15.413 -5.852 1.00 0.00 C ATOM 345 O TYR A 27 -15.843 15.631 -6.685 1.00 0.00 O ATOM 346 CB TYR A 27 -12.971 16.922 -6.253 1.00 0.00 C ATOM 347 CG TYR A 27 -13.326 17.052 -7.724 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.940 18.221 -8.218 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.048 15.981 -8.600 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.280 18.310 -9.579 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.389 16.076 -9.959 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.015 17.234 -10.447 1.00 0.00 C ATOM 353 OH TYR A 27 -14.353 17.314 -11.765 1.00 0.00 O ATOM 0 H TYR A 27 -12.939 15.656 -3.905 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.854 17.431 -5.285 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.510 17.853 -5.924 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.220 16.140 -6.145 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.149 19.046 -7.553 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.572 15.087 -8.225 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.746 19.207 -9.960 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.170 15.258 -10.629 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.529 18.249 -12.001 1.00 0.00 H new ATOM 363 N GLN A 28 -14.704 14.180 -5.390 1.00 0.00 N ATOM 364 CA GLN A 28 -15.383 12.972 -5.855 1.00 0.00 C ATOM 365 C GLN A 28 -16.225 12.244 -4.792 1.00 0.00 C ATOM 366 O GLN A 28 -17.057 11.410 -5.150 1.00 0.00 O ATOM 367 CB GLN A 28 -14.298 12.070 -6.487 1.00 0.00 C ATOM 368 CG GLN A 28 -14.358 10.619 -6.011 1.00 0.00 C ATOM 369 CD GLN A 28 -13.337 9.708 -6.674 1.00 0.00 C ATOM 370 OE1 GLN A 28 -12.529 9.080 -5.992 1.00 0.00 O ATOM 371 NE2 GLN A 28 -13.380 9.627 -8.005 1.00 0.00 N ATOM 0 H GLN A 28 -14.004 13.997 -4.671 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.139 13.253 -6.588 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.404 12.093 -7.572 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.315 12.480 -6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.205 10.595 -4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.357 10.226 -6.200 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.069 10.168 -8.527 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.724 9.024 -8.501 1.00 0.00 H new ATOM 380 N ASN A 29 -16.059 12.547 -3.498 1.00 0.00 N ATOM 381 CA ASN A 29 -16.758 11.874 -2.401 1.00 0.00 C ATOM 382 C ASN A 29 -18.200 12.355 -2.205 1.00 0.00 C ATOM 383 O ASN A 29 -18.782 12.140 -1.144 1.00 0.00 O ATOM 384 CB ASN A 29 -15.933 12.011 -1.116 1.00 0.00 C ATOM 385 CG ASN A 29 -15.970 13.431 -0.558 1.00 0.00 C ATOM 386 OD1 ASN A 29 -15.838 14.400 -1.304 1.00 0.00 O ATOM 387 ND2 ASN A 29 -16.155 13.558 0.760 1.00 0.00 N ATOM 0 H ASN A 29 -15.424 13.280 -3.181 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.849 10.821 -2.666 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.313 11.317 -0.366 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.900 11.728 -1.317 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.191 14.486 1.183 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.260 12.727 1.343 1.00 0.00 H new ATOM 394 N ASP A 30 -18.744 13.011 -3.234 1.00 0.00 N ATOM 395 CA ASP A 30 -20.094 13.559 -3.337 1.00 0.00 C ATOM 396 C ASP A 30 -20.111 14.965 -2.742 1.00 0.00 C ATOM 397 O ASP A 30 -21.044 15.360 -2.045 1.00 0.00 O ATOM 398 CB ASP A 30 -21.165 12.614 -2.761 1.00 0.00 C ATOM 399 CG ASP A 30 -22.575 12.992 -3.210 1.00 0.00 C ATOM 400 OD1 ASP A 30 -22.859 12.814 -4.415 1.00 0.00 O ATOM 401 OD2 ASP A 30 -23.352 13.444 -2.341 1.00 0.00 O ATOM 0 H ASP A 30 -18.206 13.185 -4.083 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.368 13.645 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.949 11.592 -3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.116 12.633 -1.672 1.00 0.00 H new ATOM 406 N ASP A 31 -19.037 15.706 -3.034 1.00 0.00 N ATOM 407 CA ASP A 31 -18.787 17.072 -2.623 1.00 0.00 C ATOM 408 C ASP A 31 -17.902 17.686 -3.701 1.00 0.00 C ATOM 409 O ASP A 31 -17.116 16.982 -4.330 1.00 0.00 O ATOM 410 CB ASP A 31 -18.067 17.121 -1.268 1.00 0.00 C ATOM 411 CG ASP A 31 -18.872 16.467 -0.149 1.00 0.00 C ATOM 412 OD1 ASP A 31 -19.746 17.167 0.408 1.00 0.00 O ATOM 413 OD2 ASP A 31 -18.605 15.277 0.127 1.00 0.00 O ATOM 0 H ASP A 31 -18.276 15.334 -3.601 1.00 0.00 H new ATOM 0 HA ASP A 31 -19.725 17.615 -2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -17.102 16.621 -1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -17.865 18.160 -1.006 1.00 0.00 H new ATOM 418 N THR A 32 -18.045 18.994 -3.916 1.00 0.00 N ATOM 419 CA THR A 32 -17.279 19.759 -4.887 1.00 0.00 C ATOM 420 C THR A 32 -17.508 21.232 -4.562 1.00 0.00 C ATOM 421 O THR A 32 -18.294 21.912 -5.219 1.00 0.00 O ATOM 422 CB THR A 32 -17.582 19.352 -6.339 1.00 0.00 C ATOM 423 OG1 THR A 32 -16.993 20.272 -7.236 1.00 0.00 O ATOM 424 CG2 THR A 32 -19.075 19.225 -6.615 1.00 0.00 C ATOM 0 H THR A 32 -18.718 19.563 -3.402 1.00 0.00 H new ATOM 0 HA THR A 32 -16.213 19.546 -4.810 1.00 0.00 H new ATOM 0 HB THR A 32 -17.147 18.364 -6.491 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.191 20.003 -8.157 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.230 18.936 -7.655 1.00 0.00 H new ATOM 0 HG22 THR A 32 -19.503 18.466 -5.960 1.00 0.00 H new ATOM 0 HG23 THR A 32 -19.562 20.182 -6.428 1.00 0.00 H new ATOM 432 N ALA A 33 -16.809 21.704 -3.523 1.00 0.00 N ATOM 433 CA ALA A 33 -16.891 23.069 -3.038 1.00 0.00 C ATOM 434 C ALA A 33 -16.408 24.048 -4.107 1.00 0.00 C ATOM 435 O ALA A 33 -15.213 24.303 -4.250 1.00 0.00 O ATOM 436 CB ALA A 33 -16.106 23.191 -1.733 1.00 0.00 C ATOM 0 H ALA A 33 -16.158 21.127 -2.990 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.929 23.327 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -16.166 24.216 -1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.528 22.515 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -15.063 22.930 -1.910 1.00 0.00 H new ATOM 442 N GLY A 34 -17.374 24.593 -4.853 1.00 0.00 N ATOM 443 CA GLY A 34 -17.164 25.535 -5.936 1.00 0.00 C ATOM 444 C GLY A 34 -17.114 26.956 -5.394 1.00 0.00 C ATOM 445 O GLY A 34 -17.911 27.801 -5.797 1.00 0.00 O ATOM 0 H GLY A 34 -18.360 24.376 -4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.234 25.303 -6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.967 25.445 -6.667 1.00 0.00 H new ATOM 449 N SER A 35 -16.168 27.212 -4.484 1.00 0.00 N ATOM 450 CA SER A 35 -15.991 28.503 -3.849 1.00 0.00 C ATOM 451 C SER A 35 -15.393 29.500 -4.841 1.00 0.00 C ATOM 452 O SER A 35 -16.100 30.382 -5.325 1.00 0.00 O ATOM 453 CB SER A 35 -15.128 28.328 -2.590 1.00 0.00 C ATOM 454 OG SER A 35 -14.924 29.569 -1.948 1.00 0.00 O ATOM 0 H SER A 35 -15.498 26.510 -4.170 1.00 0.00 H new ATOM 0 HA SER A 35 -16.953 28.911 -3.539 1.00 0.00 H new ATOM 0 HB2 SER A 35 -15.613 27.634 -1.904 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.167 27.890 -2.860 1.00 0.00 H new ATOM 0 HG SER A 35 -14.374 29.437 -1.148 1.00 0.00 H new ATOM 460 N SER A 36 -14.100 29.335 -5.140 1.00 0.00 N ATOM 461 CA SER A 36 -13.284 30.155 -6.026 1.00 0.00 C ATOM 462 C SER A 36 -11.909 29.493 -6.093 1.00 0.00 C ATOM 463 O SER A 36 -11.369 29.260 -7.172 1.00 0.00 O ATOM 464 CB SER A 36 -13.121 31.581 -5.472 1.00 0.00 C ATOM 465 OG SER A 36 -14.269 32.371 -5.686 1.00 0.00 O ATOM 0 H SER A 36 -13.562 28.568 -4.737 1.00 0.00 H new ATOM 0 HA SER A 36 -13.757 30.228 -7.005 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.910 31.532 -4.404 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.262 32.056 -5.945 1.00 0.00 H new ATOM 0 HG SER A 36 -15.071 31.818 -5.582 1.00 0.00 H new ATOM 471 N THR A 37 -11.370 29.189 -4.904 1.00 0.00 N ATOM 472 CA THR A 37 -10.073 28.580 -4.675 1.00 0.00 C ATOM 473 C THR A 37 -10.055 27.055 -4.877 1.00 0.00 C ATOM 474 O THR A 37 -9.208 26.385 -4.291 1.00 0.00 O ATOM 475 CB THR A 37 -9.594 29.020 -3.277 1.00 0.00 C ATOM 476 OG1 THR A 37 -8.238 28.690 -3.083 1.00 0.00 O ATOM 477 CG2 THR A 37 -10.426 28.413 -2.140 1.00 0.00 C ATOM 0 H THR A 37 -11.865 29.377 -4.032 1.00 0.00 H new ATOM 0 HA THR A 37 -9.372 28.931 -5.432 1.00 0.00 H new ATOM 0 HB THR A 37 -9.723 30.102 -3.244 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.955 28.980 -2.190 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.040 28.760 -1.181 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.466 28.721 -2.246 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.364 27.326 -2.184 1.00 0.00 H new ATOM 485 N TYR A 38 -10.968 26.487 -5.689 1.00 0.00 N ATOM 486 CA TYR A 38 -11.019 25.046 -5.978 1.00 0.00 C ATOM 487 C TYR A 38 -11.582 24.289 -4.762 1.00 0.00 C ATOM 488 O TYR A 38 -11.632 24.851 -3.668 1.00 0.00 O ATOM 489 CB TYR A 38 -9.662 24.581 -6.550 1.00 0.00 C ATOM 490 CG TYR A 38 -8.927 25.604 -7.416 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.652 26.481 -8.249 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.521 25.693 -7.389 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.991 27.436 -9.033 1.00 0.00 C ATOM 494 CE2 TYR A 38 -6.855 26.646 -8.182 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.591 27.520 -9.001 1.00 0.00 C ATOM 496 OH TYR A 38 -6.944 28.444 -9.768 1.00 0.00 O ATOM 0 H TYR A 38 -11.695 27.022 -6.165 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.725 24.805 -6.773 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.014 24.302 -5.719 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.827 23.681 -7.142 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.729 26.416 -8.283 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.952 25.027 -6.757 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.559 28.107 -9.661 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.777 26.706 -8.161 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.700 29.215 -9.215 1.00 0.00 H new ATOM 506 N PRO A 39 -12.025 23.025 -4.902 1.00 0.00 N ATOM 507 CA PRO A 39 -12.007 22.193 -6.094 1.00 0.00 C ATOM 508 C PRO A 39 -12.978 22.619 -7.201 1.00 0.00 C ATOM 509 O PRO A 39 -14.193 22.615 -7.011 1.00 0.00 O ATOM 510 CB PRO A 39 -12.324 20.780 -5.606 1.00 0.00 C ATOM 511 CG PRO A 39 -13.193 21.018 -4.374 1.00 0.00 C ATOM 512 CD PRO A 39 -12.588 22.290 -3.783 1.00 0.00 C ATOM 0 HA PRO A 39 -11.031 22.278 -6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.852 20.202 -6.364 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.418 20.228 -5.358 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.242 21.152 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.144 20.183 -3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.347 22.881 -3.271 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.820 22.051 -3.047 1.00 0.00 H new ATOM 520 N HIS A 40 -12.401 22.969 -8.359 1.00 0.00 N ATOM 521 CA HIS A 40 -13.067 23.392 -9.582 1.00 0.00 C ATOM 522 C HIS A 40 -12.560 22.484 -10.702 1.00 0.00 C ATOM 523 O HIS A 40 -11.428 22.005 -10.648 1.00 0.00 O ATOM 524 CB HIS A 40 -12.696 24.840 -9.932 1.00 0.00 C ATOM 525 CG HIS A 40 -13.367 25.926 -9.124 1.00 0.00 C ATOM 526 ND1 HIS A 40 -13.533 27.203 -9.639 1.00 0.00 N ATOM 527 CD2 HIS A 40 -13.915 25.980 -7.863 1.00 0.00 C ATOM 528 CE1 HIS A 40 -14.157 27.939 -8.704 1.00 0.00 C ATOM 529 NE2 HIS A 40 -14.416 27.250 -7.593 1.00 0.00 N ATOM 0 H HIS A 40 -11.387 22.961 -8.465 1.00 0.00 H new ATOM 0 HA HIS A 40 -14.148 23.331 -9.456 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.617 24.951 -9.822 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.928 25.006 -10.984 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -13.235 27.525 -10.560 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -13.951 25.148 -7.175 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.420 28.978 -8.838 1.00 0.00 H new ATOM 537 N THR A 41 -13.396 22.258 -11.720 1.00 0.00 N ATOM 538 CA THR A 41 -13.091 21.430 -12.861 1.00 0.00 C ATOM 539 C THR A 41 -12.254 22.222 -13.866 1.00 0.00 C ATOM 540 O THR A 41 -12.598 23.357 -14.201 1.00 0.00 O ATOM 541 CB THR A 41 -14.437 20.993 -13.453 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.981 19.978 -12.642 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.295 20.476 -14.875 1.00 0.00 C ATOM 0 H THR A 41 -14.330 22.665 -11.761 1.00 0.00 H new ATOM 0 HA THR A 41 -12.503 20.554 -12.587 1.00 0.00 H new ATOM 0 HB THR A 41 -15.093 21.863 -13.482 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.843 19.692 -13.010 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.273 20.178 -15.253 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.885 21.262 -15.509 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.625 19.616 -14.884 1.00 0.00 H new ATOM 551 N TYR A 42 -11.162 21.615 -14.346 1.00 0.00 N ATOM 552 CA TYR A 42 -10.276 22.217 -15.333 1.00 0.00 C ATOM 553 C TYR A 42 -10.803 21.860 -16.724 1.00 0.00 C ATOM 554 O TYR A 42 -11.401 20.800 -16.904 1.00 0.00 O ATOM 555 CB TYR A 42 -8.849 21.701 -15.128 1.00 0.00 C ATOM 556 CG TYR A 42 -7.827 22.317 -16.066 1.00 0.00 C ATOM 557 CD1 TYR A 42 -7.212 23.535 -15.727 1.00 0.00 C ATOM 558 CD2 TYR A 42 -7.498 21.681 -17.279 1.00 0.00 C ATOM 559 CE1 TYR A 42 -6.273 24.116 -16.597 1.00 0.00 C ATOM 560 CE2 TYR A 42 -6.561 22.263 -18.150 1.00 0.00 C ATOM 561 CZ TYR A 42 -5.949 23.484 -17.811 1.00 0.00 C ATOM 562 OH TYR A 42 -5.035 24.050 -18.650 1.00 0.00 O ATOM 0 H TYR A 42 -10.871 20.682 -14.053 1.00 0.00 H new ATOM 0 HA TYR A 42 -10.253 23.301 -15.225 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.547 21.898 -14.099 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.843 20.619 -15.261 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.461 24.025 -14.797 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.967 20.744 -17.540 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.799 25.050 -16.333 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.311 21.773 -19.079 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.368 23.380 -18.908 1.00 0.00 H new ATOM 572 N ASN A 43 -10.581 22.741 -17.709 1.00 0.00 N ATOM 573 CA ASN A 43 -11.040 22.536 -19.075 1.00 0.00 C ATOM 574 C ASN A 43 -10.137 23.278 -20.060 1.00 0.00 C ATOM 575 O ASN A 43 -9.810 24.443 -19.839 1.00 0.00 O ATOM 576 CB ASN A 43 -12.495 23.008 -19.197 1.00 0.00 C ATOM 577 CG ASN A 43 -13.008 22.917 -20.633 1.00 0.00 C ATOM 578 OD1 ASN A 43 -13.208 21.821 -21.153 1.00 0.00 O ATOM 579 ND2 ASN A 43 -13.217 24.068 -21.277 1.00 0.00 N ATOM 0 H ASN A 43 -10.076 23.616 -17.573 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.992 21.475 -19.319 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.128 22.404 -18.547 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.572 24.038 -18.849 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.556 24.060 -22.239 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.038 24.955 -20.807 1.00 0.00 H new ATOM 586 N ASN A 44 -9.759 22.580 -21.143 1.00 0.00 N ATOM 587 CA ASN A 44 -8.916 23.039 -22.244 1.00 0.00 C ATOM 588 C ASN A 44 -7.493 23.359 -21.783 1.00 0.00 C ATOM 589 O ASN A 44 -7.287 24.206 -20.917 1.00 0.00 O ATOM 590 CB ASN A 44 -9.546 24.217 -23.007 1.00 0.00 C ATOM 591 CG ASN A 44 -10.821 23.835 -23.764 1.00 0.00 C ATOM 592 OD1 ASN A 44 -11.407 22.778 -23.535 1.00 0.00 O ATOM 593 ND2 ASN A 44 -11.248 24.703 -24.685 1.00 0.00 N ATOM 0 H ASN A 44 -10.058 21.614 -21.276 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.845 22.209 -22.947 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.776 25.016 -22.302 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.817 24.615 -23.714 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.088 24.499 -25.227 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.735 25.570 -24.846 1.00 0.00 H new ATOM 600 N TYR A 45 -6.510 22.678 -22.382 1.00 0.00 N ATOM 601 CA TYR A 45 -5.104 22.869 -22.071 1.00 0.00 C ATOM 602 C TYR A 45 -4.599 24.151 -22.734 1.00 0.00 C ATOM 603 O TYR A 45 -4.904 24.402 -23.900 1.00 0.00 O ATOM 604 CB TYR A 45 -4.298 21.627 -22.455 1.00 0.00 C ATOM 605 CG TYR A 45 -4.020 21.422 -23.931 1.00 0.00 C ATOM 606 CD1 TYR A 45 -4.994 20.842 -24.763 1.00 0.00 C ATOM 607 CD2 TYR A 45 -2.774 21.800 -24.469 1.00 0.00 C ATOM 608 CE1 TYR A 45 -4.725 20.641 -26.129 1.00 0.00 C ATOM 609 CE2 TYR A 45 -2.507 21.602 -25.835 1.00 0.00 C ATOM 610 CZ TYR A 45 -3.482 21.021 -26.664 1.00 0.00 C ATOM 611 OH TYR A 45 -3.222 20.819 -27.989 1.00 0.00 O ATOM 0 H TYR A 45 -6.678 21.975 -23.101 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.972 22.995 -20.996 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.343 21.667 -21.932 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.828 20.750 -22.084 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.950 20.551 -24.353 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.023 22.242 -23.831 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.474 20.195 -26.767 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.553 21.896 -26.247 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.319 21.138 -28.198 1.00 0.00 H new ATOM 621 N GLU A 46 -3.836 24.957 -21.983 1.00 0.00 N ATOM 622 CA GLU A 46 -3.292 26.229 -22.440 1.00 0.00 C ATOM 623 C GLU A 46 -1.781 26.248 -22.208 1.00 0.00 C ATOM 624 O GLU A 46 -1.295 26.904 -21.286 1.00 0.00 O ATOM 625 CB GLU A 46 -4.019 27.373 -21.709 1.00 0.00 C ATOM 626 CG GLU A 46 -5.545 27.261 -21.847 1.00 0.00 C ATOM 627 CD GLU A 46 -6.268 28.429 -21.181 1.00 0.00 C ATOM 628 OE1 GLU A 46 -6.162 29.548 -21.727 1.00 0.00 O ATOM 629 OE2 GLU A 46 -6.917 28.181 -20.141 1.00 0.00 O ATOM 0 H GLU A 46 -3.578 24.732 -21.022 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.455 26.363 -23.509 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.748 27.360 -20.653 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.687 28.330 -22.111 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.812 27.225 -22.903 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.881 26.325 -21.401 1.00 0.00 H new ATOM 636 N GLY A 47 -1.038 25.523 -23.057 1.00 0.00 N ATOM 637 CA GLY A 47 0.412 25.417 -22.970 1.00 0.00 C ATOM 638 C GLY A 47 0.803 24.682 -21.690 1.00 0.00 C ATOM 639 O GLY A 47 1.647 25.158 -20.934 1.00 0.00 O ATOM 0 H GLY A 47 -1.439 24.991 -23.829 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.799 24.884 -23.838 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.859 26.411 -22.980 1.00 0.00 H new ATOM 643 N PHE A 48 0.185 23.515 -21.463 1.00 0.00 N ATOM 644 CA PHE A 48 0.394 22.678 -20.293 1.00 0.00 C ATOM 645 C PHE A 48 -0.180 21.296 -20.573 1.00 0.00 C ATOM 646 O PHE A 48 -1.370 21.205 -20.854 1.00 0.00 O ATOM 647 CB PHE A 48 -0.343 23.304 -19.095 1.00 0.00 C ATOM 648 CG PHE A 48 0.608 23.918 -18.100 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.350 23.072 -17.260 1.00 0.00 C ATOM 650 CD2 PHE A 48 0.761 25.314 -18.018 1.00 0.00 C ATOM 651 CE1 PHE A 48 2.256 23.623 -16.343 1.00 0.00 C ATOM 652 CE2 PHE A 48 1.665 25.864 -17.096 1.00 0.00 C ATOM 653 CZ PHE A 48 2.413 25.018 -16.262 1.00 0.00 C ATOM 0 H PHE A 48 -0.494 23.123 -22.115 1.00 0.00 H new ATOM 0 HA PHE A 48 1.458 22.599 -20.069 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.034 24.067 -19.454 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.942 22.540 -18.599 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.223 22.001 -17.320 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.184 25.961 -18.663 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.833 22.976 -15.699 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.785 26.935 -17.028 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.112 25.440 -15.555 1.00 0.00 H new ATOM 663 N ASP A 49 0.627 20.226 -20.496 1.00 0.00 N ATOM 664 CA ASP A 49 0.115 18.888 -20.771 1.00 0.00 C ATOM 665 C ASP A 49 0.691 17.784 -19.883 1.00 0.00 C ATOM 666 O ASP A 49 1.863 17.423 -19.967 1.00 0.00 O ATOM 667 CB ASP A 49 0.208 18.538 -22.256 1.00 0.00 C ATOM 668 CG ASP A 49 1.635 18.570 -22.801 1.00 0.00 C ATOM 669 OD1 ASP A 49 2.108 19.690 -23.094 1.00 0.00 O ATOM 670 OD2 ASP A 49 2.227 17.475 -22.921 1.00 0.00 O ATOM 0 H ASP A 49 1.616 20.265 -20.250 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.940 18.933 -20.500 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.211 17.544 -22.414 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.406 19.236 -22.825 1.00 0.00 H new ATOM 675 N PHE A 50 -0.194 17.279 -19.021 1.00 0.00 N ATOM 676 CA PHE A 50 -0.048 16.212 -18.067 1.00 0.00 C ATOM 677 C PHE A 50 -1.374 15.435 -17.982 1.00 0.00 C ATOM 678 O PHE A 50 -1.865 15.199 -16.881 1.00 0.00 O ATOM 679 CB PHE A 50 0.346 16.864 -16.738 1.00 0.00 C ATOM 680 CG PHE A 50 -0.510 18.013 -16.217 1.00 0.00 C ATOM 681 CD1 PHE A 50 -0.431 19.302 -16.780 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.383 17.790 -15.143 1.00 0.00 C ATOM 683 CE1 PHE A 50 -1.231 20.343 -16.277 1.00 0.00 C ATOM 684 CE2 PHE A 50 -2.175 18.829 -14.631 1.00 0.00 C ATOM 685 CZ PHE A 50 -2.106 20.108 -15.205 1.00 0.00 C ATOM 0 H PHE A 50 -1.138 17.665 -18.983 1.00 0.00 H new ATOM 0 HA PHE A 50 0.720 15.491 -18.349 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.357 16.085 -15.976 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.368 17.229 -16.836 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.246 19.491 -17.600 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.447 16.805 -14.704 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.172 21.327 -16.717 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.836 18.645 -13.797 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.723 20.908 -14.823 1.00 0.00 H new ATOM 695 N PRO A 51 -1.975 15.013 -19.114 1.00 0.00 N ATOM 696 CA PRO A 51 -3.239 14.292 -19.119 1.00 0.00 C ATOM 697 C PRO A 51 -3.063 12.823 -18.732 1.00 0.00 C ATOM 698 O PRO A 51 -2.013 12.228 -18.970 1.00 0.00 O ATOM 699 CB PRO A 51 -3.749 14.402 -20.557 1.00 0.00 C ATOM 700 CG PRO A 51 -2.452 14.370 -21.363 1.00 0.00 C ATOM 701 CD PRO A 51 -1.511 15.195 -20.485 1.00 0.00 C ATOM 0 HA PRO A 51 -3.932 14.711 -18.390 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.411 13.577 -20.818 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.308 15.323 -20.721 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.087 13.353 -21.509 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.576 14.809 -22.353 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.480 14.859 -20.596 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.536 16.247 -20.769 1.00 0.00 H new ATOM 709 N VAL A 52 -4.111 12.257 -18.122 1.00 0.00 N ATOM 710 CA VAL A 52 -4.196 10.871 -17.682 1.00 0.00 C ATOM 711 C VAL A 52 -5.632 10.405 -17.952 1.00 0.00 C ATOM 712 O VAL A 52 -5.836 9.388 -18.611 1.00 0.00 O ATOM 713 CB VAL A 52 -3.803 10.724 -16.200 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.623 9.253 -15.819 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.517 11.480 -15.838 1.00 0.00 C ATOM 0 H VAL A 52 -4.960 12.783 -17.915 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.491 10.246 -18.230 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.627 11.163 -15.638 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.346 9.181 -14.767 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.557 8.717 -15.986 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.837 8.812 -16.432 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.296 11.336 -14.780 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.690 11.099 -16.437 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.651 12.543 -16.039 1.00 0.00 H new ATOM 725 N ASP A 53 -6.618 11.163 -17.448 1.00 0.00 N ATOM 726 CA ASP A 53 -8.044 10.906 -17.616 1.00 0.00 C ATOM 727 C ASP A 53 -8.820 12.201 -17.346 1.00 0.00 C ATOM 728 O ASP A 53 -8.642 12.822 -16.297 1.00 0.00 O ATOM 729 CB ASP A 53 -8.515 9.731 -16.746 1.00 0.00 C ATOM 730 CG ASP A 53 -8.241 9.931 -15.258 1.00 0.00 C ATOM 731 OD1 ASP A 53 -7.142 9.527 -14.821 1.00 0.00 O ATOM 732 OD2 ASP A 53 -9.140 10.476 -14.585 1.00 0.00 O ATOM 0 H ASP A 53 -6.431 11.999 -16.894 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.242 10.600 -18.643 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.585 9.585 -16.894 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.019 8.820 -17.080 1.00 0.00 H new ATOM 737 N GLY A 54 -9.668 12.605 -18.303 1.00 0.00 N ATOM 738 CA GLY A 54 -10.475 13.817 -18.244 1.00 0.00 C ATOM 739 C GLY A 54 -11.935 13.525 -17.874 1.00 0.00 C ATOM 740 O GLY A 54 -12.423 12.436 -18.176 1.00 0.00 O ATOM 0 H GLY A 54 -9.810 12.076 -19.163 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.046 14.501 -17.512 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.441 14.321 -19.210 1.00 0.00 H new ATOM 744 N PRO A 55 -12.652 14.462 -17.217 1.00 0.00 N ATOM 745 CA PRO A 55 -12.193 15.766 -16.748 1.00 0.00 C ATOM 746 C PRO A 55 -11.132 15.674 -15.647 1.00 0.00 C ATOM 747 O PRO A 55 -10.838 14.598 -15.137 1.00 0.00 O ATOM 748 CB PRO A 55 -13.441 16.485 -16.210 1.00 0.00 C ATOM 749 CG PRO A 55 -14.613 15.699 -16.793 1.00 0.00 C ATOM 750 CD PRO A 55 -14.048 14.284 -16.859 1.00 0.00 C ATOM 0 HA PRO A 55 -11.716 16.300 -17.570 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.463 16.481 -15.120 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.466 17.528 -16.526 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -15.497 15.755 -16.158 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.902 16.069 -17.777 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -14.149 13.772 -15.902 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.573 13.682 -17.600 1.00 0.00 H new ATOM 758 N TYR A 56 -10.573 16.833 -15.284 1.00 0.00 N ATOM 759 CA TYR A 56 -9.534 16.987 -14.272 1.00 0.00 C ATOM 760 C TYR A 56 -10.010 18.022 -13.254 1.00 0.00 C ATOM 761 O TYR A 56 -11.063 18.634 -13.443 1.00 0.00 O ATOM 762 CB TYR A 56 -8.236 17.455 -14.951 1.00 0.00 C ATOM 763 CG TYR A 56 -7.941 16.820 -16.298 1.00 0.00 C ATOM 764 CD1 TYR A 56 -8.448 17.390 -17.484 1.00 0.00 C ATOM 765 CD2 TYR A 56 -7.162 15.656 -16.365 1.00 0.00 C ATOM 766 CE1 TYR A 56 -8.182 16.787 -18.726 1.00 0.00 C ATOM 767 CE2 TYR A 56 -6.895 15.053 -17.604 1.00 0.00 C ATOM 768 CZ TYR A 56 -7.412 15.611 -18.786 1.00 0.00 C ATOM 769 OH TYR A 56 -7.157 15.015 -19.987 1.00 0.00 O ATOM 0 H TYR A 56 -10.845 17.721 -15.706 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.340 16.041 -13.766 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.283 18.536 -15.080 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.401 17.250 -14.281 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.042 18.291 -17.438 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.766 15.222 -15.459 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -8.569 17.226 -19.634 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.291 14.159 -17.649 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.610 14.214 -19.845 1.00 0.00 H new ATOM 779 N GLN A 57 -9.238 18.226 -12.180 1.00 0.00 N ATOM 780 CA GLN A 57 -9.597 19.180 -11.139 1.00 0.00 C ATOM 781 C GLN A 57 -8.361 19.783 -10.477 1.00 0.00 C ATOM 782 O GLN A 57 -7.296 19.165 -10.445 1.00 0.00 O ATOM 783 CB GLN A 57 -10.539 18.513 -10.128 1.00 0.00 C ATOM 784 CG GLN A 57 -9.840 17.449 -9.269 1.00 0.00 C ATOM 785 CD GLN A 57 -9.497 17.982 -7.880 1.00 0.00 C ATOM 786 OE1 GLN A 57 -10.274 17.828 -6.944 1.00 0.00 O ATOM 787 NE2 GLN A 57 -8.329 18.598 -7.722 1.00 0.00 N ATOM 0 H GLN A 57 -8.358 17.738 -12.014 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.129 20.015 -11.594 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.964 19.277 -9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.370 18.052 -10.663 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.485 16.576 -9.175 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.929 17.119 -9.768 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.701 18.713 -8.518 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.061 18.956 -6.805 1.00 0.00 H new ATOM 796 N GLU A 58 -8.535 20.996 -9.938 1.00 0.00 N ATOM 797 CA GLU A 58 -7.506 21.784 -9.274 1.00 0.00 C ATOM 798 C GLU A 58 -7.610 21.681 -7.750 1.00 0.00 C ATOM 799 O GLU A 58 -8.696 21.440 -7.230 1.00 0.00 O ATOM 800 CB GLU A 58 -7.688 23.251 -9.681 1.00 0.00 C ATOM 801 CG GLU A 58 -7.642 23.466 -11.197 1.00 0.00 C ATOM 802 CD GLU A 58 -7.837 24.943 -11.532 1.00 0.00 C ATOM 803 OE1 GLU A 58 -9.015 25.360 -11.590 1.00 0.00 O ATOM 804 OE2 GLU A 58 -6.808 25.629 -11.714 1.00 0.00 O ATOM 0 H GLU A 58 -9.438 21.470 -9.957 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.530 21.403 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.643 23.612 -9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.909 23.851 -9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.686 23.121 -11.591 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.419 22.872 -11.679 1.00 0.00 H new ATOM 811 N PHE A 59 -6.489 21.861 -7.034 1.00 0.00 N ATOM 812 CA PHE A 59 -6.442 21.828 -5.576 1.00 0.00 C ATOM 813 C PHE A 59 -5.202 22.610 -5.172 1.00 0.00 C ATOM 814 O PHE A 59 -4.092 22.200 -5.499 1.00 0.00 O ATOM 815 CB PHE A 59 -6.431 20.403 -5.017 1.00 0.00 C ATOM 816 CG PHE A 59 -7.369 20.272 -3.833 1.00 0.00 C ATOM 817 CD1 PHE A 59 -8.759 20.250 -4.049 1.00 0.00 C ATOM 818 CD2 PHE A 59 -6.867 20.184 -2.523 1.00 0.00 C ATOM 819 CE1 PHE A 59 -9.644 20.146 -2.963 1.00 0.00 C ATOM 820 CE2 PHE A 59 -7.759 20.079 -1.440 1.00 0.00 C ATOM 821 CZ PHE A 59 -9.143 20.060 -1.658 1.00 0.00 C ATOM 0 H PHE A 59 -5.581 22.036 -7.464 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.342 22.277 -5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.725 19.701 -5.797 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.419 20.136 -4.714 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -9.148 20.313 -5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.801 20.197 -2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.710 20.132 -3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.374 20.013 -0.433 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.822 19.979 -0.822 1.00 0.00 H new ATOM 831 N PRO A 60 -5.333 23.725 -4.448 1.00 0.00 N ATOM 832 CA PRO A 60 -4.192 24.533 -4.112 1.00 0.00 C ATOM 833 C PRO A 60 -3.422 24.066 -2.886 1.00 0.00 C ATOM 834 O PRO A 60 -3.962 23.435 -1.977 1.00 0.00 O ATOM 835 CB PRO A 60 -4.792 25.917 -3.954 1.00 0.00 C ATOM 836 CG PRO A 60 -6.075 25.594 -3.190 1.00 0.00 C ATOM 837 CD PRO A 60 -6.537 24.307 -3.881 1.00 0.00 C ATOM 0 HA PRO A 60 -3.418 24.484 -4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.139 26.588 -3.397 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.993 26.391 -4.915 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.890 25.443 -2.126 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.813 26.391 -3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.007 23.626 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.274 24.519 -4.655 1.00 0.00 H new ATOM 845 N ILE A 61 -2.132 24.401 -2.922 1.00 0.00 N ATOM 846 CA ILE A 61 -1.121 24.141 -1.921 1.00 0.00 C ATOM 847 C ILE A 61 -0.504 25.494 -1.591 1.00 0.00 C ATOM 848 O ILE A 61 -0.828 26.559 -2.113 1.00 0.00 O ATOM 849 CB ILE A 61 -0.059 23.190 -2.507 1.00 0.00 C ATOM 850 CG1 ILE A 61 -0.561 21.759 -2.781 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.451 23.247 -2.304 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.329 20.629 -2.215 1.00 0.00 C ATOM 0 H ILE A 61 -1.745 24.902 -3.722 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.533 23.670 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 61 0.002 23.879 -3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.562 21.656 -2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.651 21.623 -3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.923 22.432 -2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.832 24.200 -2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.679 23.150 -1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.110 19.662 -2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.325 20.697 -2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.401 20.730 -1.132 1.00 0.00 H new ATOM 864 N LYS A 62 0.403 25.347 -0.659 1.00 0.00 N ATOM 865 CA LYS A 62 1.232 26.351 -0.014 1.00 0.00 C ATOM 866 C LYS A 62 2.372 25.643 0.711 1.00 0.00 C ATOM 867 O LYS A 62 2.579 24.445 0.527 1.00 0.00 O ATOM 868 CB LYS A 62 0.419 27.345 0.845 1.00 0.00 C ATOM 869 CG LYS A 62 0.898 28.778 0.551 1.00 0.00 C ATOM 870 CD LYS A 62 0.310 29.811 1.521 1.00 0.00 C ATOM 871 CE LYS A 62 0.769 31.241 1.192 1.00 0.00 C ATOM 872 NZ LYS A 62 2.236 31.380 1.213 1.00 0.00 N ATOM 0 H LYS A 62 0.606 24.419 -0.288 1.00 0.00 H new ATOM 0 HA LYS A 62 1.678 27.004 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.644 27.251 0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.545 27.117 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.986 28.811 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.623 29.046 -0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.778 29.763 1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.607 29.561 2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.394 31.522 0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.331 31.934 1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.491 32.386 1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.608 30.995 2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.646 30.858 0.412 1.00 0.00 H new ATOM 886 N SER A 63 3.102 26.390 1.548 1.00 0.00 N ATOM 887 CA SER A 63 4.188 25.877 2.369 1.00 0.00 C ATOM 888 C SER A 63 3.517 25.323 3.634 1.00 0.00 C ATOM 889 O SER A 63 3.777 25.784 4.744 1.00 0.00 O ATOM 890 CB SER A 63 5.187 26.997 2.671 1.00 0.00 C ATOM 891 OG SER A 63 5.767 27.448 1.466 1.00 0.00 O ATOM 0 H SER A 63 2.945 27.390 1.671 1.00 0.00 H new ATOM 0 HA SER A 63 4.763 25.094 1.874 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.683 27.822 3.176 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.962 26.635 3.347 1.00 0.00 H new ATOM 0 HG SER A 63 6.405 28.166 1.659 1.00 0.00 H new ATOM 897 N GLY A 64 2.639 24.328 3.434 1.00 0.00 N ATOM 898 CA GLY A 64 1.853 23.667 4.459 1.00 0.00 C ATOM 899 C GLY A 64 0.497 24.370 4.548 1.00 0.00 C ATOM 900 O GLY A 64 0.238 25.080 5.517 1.00 0.00 O ATOM 0 H GLY A 64 2.457 23.952 2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.720 22.613 4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.367 23.710 5.419 1.00 0.00 H new ATOM 904 N GLY A 65 -0.361 24.183 3.533 1.00 0.00 N ATOM 905 CA GLY A 65 -1.677 24.807 3.490 1.00 0.00 C ATOM 906 C GLY A 65 -2.519 24.278 2.327 1.00 0.00 C ATOM 907 O GLY A 65 -2.483 24.843 1.235 1.00 0.00 O ATOM 0 H GLY A 65 -0.156 23.595 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.198 24.622 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.564 25.887 3.395 1.00 0.00 H new ATOM 911 N VAL A 66 -3.279 23.201 2.573 1.00 0.00 N ATOM 912 CA VAL A 66 -4.162 22.552 1.607 1.00 0.00 C ATOM 913 C VAL A 66 -5.569 23.126 1.792 1.00 0.00 C ATOM 914 O VAL A 66 -6.295 22.688 2.685 1.00 0.00 O ATOM 915 CB VAL A 66 -4.114 21.022 1.813 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.144 20.271 0.951 1.00 0.00 C ATOM 917 CG2 VAL A 66 -2.715 20.488 1.480 1.00 0.00 C ATOM 0 H VAL A 66 -3.292 22.745 3.485 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.844 22.744 0.582 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.357 20.844 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.063 19.200 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.148 20.609 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.951 20.471 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.693 19.408 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.476 20.716 0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.981 20.959 2.133 1.00 0.00 H new ATOM 927 N TYR A 67 -5.938 24.112 0.958 1.00 0.00 N ATOM 928 CA TYR A 67 -7.229 24.796 0.975 1.00 0.00 C ATOM 929 C TYR A 67 -7.586 25.244 2.397 1.00 0.00 C ATOM 930 O TYR A 67 -8.539 24.742 2.992 1.00 0.00 O ATOM 931 CB TYR A 67 -8.298 23.900 0.317 1.00 0.00 C ATOM 932 CG TYR A 67 -9.709 24.454 0.140 1.00 0.00 C ATOM 933 CD1 TYR A 67 -10.033 25.803 0.404 1.00 0.00 C ATOM 934 CD2 TYR A 67 -10.718 23.581 -0.312 1.00 0.00 C ATOM 935 CE1 TYR A 67 -11.353 26.259 0.237 1.00 0.00 C ATOM 936 CE2 TYR A 67 -12.035 24.042 -0.486 1.00 0.00 C ATOM 937 CZ TYR A 67 -12.353 25.383 -0.214 1.00 0.00 C ATOM 938 OH TYR A 67 -13.632 25.828 -0.383 1.00 0.00 O ATOM 0 H TYR A 67 -5.318 24.463 0.228 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.178 25.710 0.384 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.929 23.614 -0.668 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.373 22.987 0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.265 26.486 0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -10.478 22.550 -0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -11.598 27.288 0.457 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -12.803 23.364 -0.829 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.195 25.092 -0.701 1.00 0.00 H new ATOM 948 N THR A 68 -6.802 26.187 2.932 1.00 0.00 N ATOM 949 CA THR A 68 -6.971 26.751 4.265 1.00 0.00 C ATOM 950 C THR A 68 -7.576 28.152 4.152 1.00 0.00 C ATOM 951 O THR A 68 -8.722 28.366 4.544 1.00 0.00 O ATOM 952 CB THR A 68 -5.626 26.752 5.011 1.00 0.00 C ATOM 953 OG1 THR A 68 -4.611 27.382 4.251 1.00 0.00 O ATOM 954 CG2 THR A 68 -5.183 25.323 5.342 1.00 0.00 C ATOM 0 H THR A 68 -6.010 26.587 2.429 1.00 0.00 H new ATOM 0 HA THR A 68 -7.659 26.139 4.848 1.00 0.00 H new ATOM 0 HB THR A 68 -5.777 27.311 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.770 27.368 4.753 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.229 25.351 5.869 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.933 24.847 5.973 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.071 24.754 4.419 1.00 0.00 H new ATOM 962 N GLY A 69 -6.797 29.102 3.622 1.00 0.00 N ATOM 963 CA GLY A 69 -7.210 30.481 3.429 1.00 0.00 C ATOM 964 C GLY A 69 -6.121 31.262 2.698 1.00 0.00 C ATOM 965 O GLY A 69 -5.055 30.723 2.399 1.00 0.00 O ATOM 0 H GLY A 69 -5.843 28.921 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.137 30.514 2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.415 30.945 4.394 1.00 0.00 H new ATOM 969 N GLY A 70 -6.399 32.539 2.404 1.00 0.00 N ATOM 970 CA GLY A 70 -5.476 33.423 1.707 1.00 0.00 C ATOM 971 C GLY A 70 -5.509 33.258 0.185 1.00 0.00 C ATOM 972 O GLY A 70 -5.061 34.160 -0.520 1.00 0.00 O ATOM 0 H GLY A 70 -7.283 32.985 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.714 34.456 1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.464 33.234 2.064 1.00 0.00 H new ATOM 976 N SER A 71 -6.021 32.121 -0.318 1.00 0.00 N ATOM 977 CA SER A 71 -6.131 31.777 -1.731 1.00 0.00 C ATOM 978 C SER A 71 -4.798 31.977 -2.467 1.00 0.00 C ATOM 979 O SER A 71 -4.667 32.913 -3.254 1.00 0.00 O ATOM 980 CB SER A 71 -7.320 32.501 -2.386 1.00 0.00 C ATOM 981 OG SER A 71 -7.181 33.906 -2.372 1.00 0.00 O ATOM 0 H SER A 71 -6.385 31.386 0.288 1.00 0.00 H new ATOM 0 HA SER A 71 -6.348 30.712 -1.812 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.423 32.161 -3.416 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.238 32.226 -1.866 1.00 0.00 H new ATOM 0 HG SER A 71 -6.263 34.146 -2.616 1.00 0.00 H new ATOM 987 N PRO A 72 -3.797 31.112 -2.219 1.00 0.00 N ATOM 988 CA PRO A 72 -2.480 31.221 -2.830 1.00 0.00 C ATOM 989 C PRO A 72 -2.586 30.914 -4.322 1.00 0.00 C ATOM 990 O PRO A 72 -3.362 30.044 -4.721 1.00 0.00 O ATOM 991 CB PRO A 72 -1.600 30.210 -2.094 1.00 0.00 C ATOM 992 CG PRO A 72 -2.599 29.142 -1.656 1.00 0.00 C ATOM 993 CD PRO A 72 -3.855 29.954 -1.343 1.00 0.00 C ATOM 0 HA PRO A 72 -2.055 32.221 -2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.828 29.798 -2.744 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.092 30.662 -1.242 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.778 28.409 -2.443 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.246 28.593 -0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.756 29.369 -1.525 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.877 30.255 -0.296 1.00 0.00 H new ATOM 1001 N GLY A 73 -1.803 31.631 -5.137 1.00 0.00 N ATOM 1002 CA GLY A 73 -1.812 31.478 -6.583 1.00 0.00 C ATOM 1003 C GLY A 73 -0.431 31.311 -7.203 1.00 0.00 C ATOM 1004 O GLY A 73 -0.133 32.012 -8.165 1.00 0.00 O ATOM 0 H GLY A 73 -1.145 32.335 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.421 30.612 -6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.294 32.350 -7.026 1.00 0.00 H new ATOM 1008 N ALA A 74 0.415 30.415 -6.671 1.00 0.00 N ATOM 1009 CA ALA A 74 1.738 30.166 -7.241 1.00 0.00 C ATOM 1010 C ALA A 74 2.380 28.842 -6.820 1.00 0.00 C ATOM 1011 O ALA A 74 3.597 28.710 -6.877 1.00 0.00 O ATOM 1012 CB ALA A 74 2.707 31.335 -7.106 1.00 0.00 C ATOM 0 H ALA A 74 0.201 29.853 -5.847 1.00 0.00 H new ATOM 0 HA ALA A 74 1.526 30.064 -8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.664 31.068 -7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.298 32.207 -7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.852 31.567 -6.051 1.00 0.00 H new ATOM 1018 N ASP A 75 1.560 27.884 -6.384 1.00 0.00 N ATOM 1019 CA ASP A 75 1.879 26.526 -5.998 1.00 0.00 C ATOM 1020 C ASP A 75 0.542 25.852 -5.701 1.00 0.00 C ATOM 1021 O ASP A 75 -0.129 26.194 -4.732 1.00 0.00 O ATOM 1022 CB ASP A 75 2.915 26.424 -4.887 1.00 0.00 C ATOM 1023 CG ASP A 75 4.240 25.944 -5.465 1.00 0.00 C ATOM 1024 OD1 ASP A 75 4.270 24.770 -5.889 1.00 0.00 O ATOM 1025 OD2 ASP A 75 5.193 26.751 -5.485 1.00 0.00 O ATOM 0 H ASP A 75 0.561 28.067 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 75 2.389 25.999 -6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.046 27.394 -4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.571 25.733 -4.118 1.00 0.00 H new ATOM 1030 N ARG A 76 0.180 24.883 -6.546 1.00 0.00 N ATOM 1031 CA ARG A 76 -1.073 24.144 -6.526 1.00 0.00 C ATOM 1032 C ARG A 76 -0.893 22.817 -7.251 1.00 0.00 C ATOM 1033 O ARG A 76 -0.318 22.792 -8.339 1.00 0.00 O ATOM 1034 CB ARG A 76 -2.146 24.932 -7.309 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.618 26.248 -6.668 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.116 27.521 -7.360 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.111 28.003 -8.331 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.076 27.861 -9.665 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -2.033 27.296 -10.281 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.116 28.282 -10.397 1.00 0.00 N ATOM 0 H ARG A 76 0.793 24.580 -7.303 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.369 23.991 -5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.753 25.155 -8.301 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.014 24.287 -7.447 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.708 26.261 -6.662 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.293 26.265 -5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.920 28.294 -6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.172 27.319 -7.867 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.916 28.500 -7.948 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.239 26.961 -9.736 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.031 27.200 -11.296 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.923 28.705 -9.940 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.100 28.179 -11.412 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.389 21.726 -6.651 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.331 20.403 -7.257 1.00 0.00 C ATOM 1056 C VAL A 77 -2.629 20.270 -8.052 1.00 0.00 C ATOM 1057 O VAL A 77 -3.632 20.890 -7.708 1.00 0.00 O ATOM 1058 CB VAL A 77 -1.207 19.261 -6.230 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.158 19.265 -5.530 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.341 19.246 -5.197 1.00 0.00 C ATOM 0 H VAL A 77 -1.839 21.743 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.439 20.314 -7.877 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.295 18.342 -6.810 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.202 18.444 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.948 19.143 -6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.295 20.211 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.192 18.417 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.342 20.185 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.296 19.125 -5.707 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.637 19.466 -9.112 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.821 19.301 -9.943 1.00 0.00 C ATOM 1072 C VAL A 78 -3.951 17.793 -10.205 1.00 0.00 C ATOM 1073 O VAL A 78 -3.047 17.183 -10.779 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.664 20.266 -11.142 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.743 20.116 -12.219 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.636 21.733 -10.637 1.00 0.00 C ATOM 0 H VAL A 78 -1.832 18.917 -9.415 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.780 19.584 -9.510 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.721 19.998 -11.618 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.557 20.829 -13.022 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.718 19.103 -12.621 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.723 20.309 -11.782 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.525 22.408 -11.486 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.567 21.956 -10.115 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.796 21.867 -9.955 1.00 0.00 H new ATOM 1086 N ILE A 79 -5.078 17.198 -9.765 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.347 15.764 -9.878 1.00 0.00 C ATOM 1088 C ILE A 79 -6.314 15.400 -11.008 1.00 0.00 C ATOM 1089 O ILE A 79 -6.859 16.264 -11.695 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.773 15.149 -8.516 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.266 15.272 -8.165 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.949 15.712 -7.350 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.742 14.187 -7.191 1.00 0.00 C ATOM 0 H ILE A 79 -5.834 17.715 -9.315 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.398 15.309 -10.162 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.572 14.087 -8.656 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.451 16.253 -7.727 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.855 15.215 -9.080 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.279 15.255 -6.417 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.894 15.489 -7.509 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.088 16.792 -7.294 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.803 14.326 -6.981 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.586 13.204 -7.636 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.176 14.258 -6.262 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.508 14.085 -11.164 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.378 13.433 -12.126 1.00 0.00 C ATOM 1107 C ASN A 80 -8.686 13.047 -11.438 1.00 0.00 C ATOM 1108 O ASN A 80 -8.778 13.093 -10.211 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.674 12.172 -12.635 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.416 12.497 -13.429 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -4.309 12.166 -13.011 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -5.594 13.139 -14.585 1.00 0.00 N ATOM 0 H ASN A 80 -6.022 13.408 -10.575 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.594 14.102 -12.959 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.413 11.537 -11.789 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.360 11.603 -13.262 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.790 13.377 -15.166 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.534 13.392 -14.888 1.00 0.00 H new ATOM 1119 N THR A 81 -9.696 12.652 -12.226 1.00 0.00 N ATOM 1120 CA THR A 81 -11.014 12.285 -11.719 1.00 0.00 C ATOM 1121 C THR A 81 -11.165 10.870 -11.183 1.00 0.00 C ATOM 1122 O THR A 81 -12.085 10.131 -11.530 1.00 0.00 O ATOM 1123 CB THR A 81 -12.112 12.755 -12.680 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.399 12.597 -12.124 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.026 12.001 -14.000 1.00 0.00 C ATOM 0 H THR A 81 -9.615 12.580 -13.240 1.00 0.00 H new ATOM 0 HA THR A 81 -11.145 12.841 -10.791 1.00 0.00 H new ATOM 0 HB THR A 81 -11.950 13.818 -12.859 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.508 11.676 -11.808 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.813 12.348 -14.669 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.054 12.181 -14.459 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.149 10.933 -13.818 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.231 10.517 -10.307 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.171 9.259 -9.613 1.00 0.00 C ATOM 1135 C ASN A 82 -9.550 9.648 -8.275 1.00 0.00 C ATOM 1136 O ASN A 82 -10.242 9.997 -7.323 1.00 0.00 O ATOM 1137 CB ASN A 82 -9.377 8.210 -10.421 1.00 0.00 C ATOM 1138 CG ASN A 82 -10.158 7.695 -11.629 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -10.882 6.708 -11.526 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -10.004 8.355 -12.780 1.00 0.00 N ATOM 0 H ASN A 82 -9.462 11.139 -10.057 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.133 8.766 -9.472 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.438 8.649 -10.759 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.122 7.372 -9.772 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -10.498 8.044 -13.616 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -9.393 9.171 -12.822 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.225 9.588 -8.247 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.363 9.880 -7.105 1.00 0.00 C ATOM 1149 C CYS A 83 -5.891 10.116 -7.505 1.00 0.00 C ATOM 1150 O CYS A 83 -5.068 10.367 -6.625 1.00 0.00 O ATOM 1151 CB CYS A 83 -7.513 8.766 -6.049 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.663 9.263 -4.298 1.00 0.00 S ATOM 0 H CYS A 83 -7.689 9.318 -9.071 1.00 0.00 H new ATOM 0 HA CYS A 83 -7.689 10.824 -6.668 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.394 8.178 -6.306 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -6.651 8.104 -6.136 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.545 10.046 -8.804 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.182 10.182 -9.302 1.00 0.00 C ATOM 1159 C GLU A 84 -3.724 11.624 -9.470 1.00 0.00 C ATOM 1160 O GLU A 84 -4.442 12.445 -10.032 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.063 9.486 -10.665 1.00 0.00 C ATOM 1162 CG GLU A 84 -4.359 7.986 -10.600 1.00 0.00 C ATOM 1163 CD GLU A 84 -4.166 7.346 -11.973 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -5.132 7.393 -12.763 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -3.052 6.828 -12.209 1.00 0.00 O ATOM 0 H GLU A 84 -6.228 9.890 -9.545 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.543 9.722 -8.548 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.751 9.956 -11.368 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.057 9.635 -11.056 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.700 7.510 -9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.381 7.825 -10.257 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.512 11.912 -8.988 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.875 13.214 -9.070 1.00 0.00 C ATOM 1174 C TYR A 85 -1.333 13.363 -10.497 1.00 0.00 C ATOM 1175 O TYR A 85 -0.402 12.654 -10.877 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.777 13.267 -7.999 1.00 0.00 C ATOM 1177 CG TYR A 85 0.219 14.400 -8.128 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -0.214 15.716 -8.379 1.00 0.00 C ATOM 1179 CD2 TYR A 85 1.593 14.129 -7.988 1.00 0.00 C ATOM 1180 CE1 TYR A 85 0.727 16.751 -8.495 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.531 15.161 -8.116 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.098 16.470 -8.369 1.00 0.00 C ATOM 1183 OH TYR A 85 3.019 17.462 -8.481 1.00 0.00 O ATOM 0 H TYR A 85 -1.934 11.217 -8.516 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.557 14.042 -8.879 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.253 13.338 -7.021 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.230 12.324 -8.020 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.268 15.929 -8.482 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.925 13.122 -7.781 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.398 17.763 -8.681 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.586 14.949 -8.020 1.00 0.00 H new ATOM 0 HH TYR A 85 3.211 17.624 -9.428 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.906 14.289 -11.277 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.540 14.534 -12.665 1.00 0.00 C ATOM 1195 C ALA A 86 -0.280 15.388 -12.765 1.00 0.00 C ATOM 1196 O ALA A 86 0.645 15.025 -13.489 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.762 15.110 -13.387 1.00 0.00 C ATOM 0 H ALA A 86 -2.654 14.899 -10.946 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.270 13.606 -13.168 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.511 15.302 -14.430 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.584 14.396 -13.337 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.061 16.042 -12.908 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.225 16.514 -12.045 1.00 0.00 N ATOM 1204 CA GLY A 87 0.945 17.377 -12.066 1.00 0.00 C ATOM 1205 C GLY A 87 0.690 18.670 -11.301 1.00 0.00 C ATOM 1206 O GLY A 87 -0.450 19.119 -11.215 1.00 0.00 O ATOM 0 H GLY A 87 -0.980 16.843 -11.443 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.794 16.853 -11.627 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.211 17.608 -13.097 1.00 0.00 H new ATOM 1210 N ALA A 88 1.758 19.252 -10.739 1.00 0.00 N ATOM 1211 CA ALA A 88 1.702 20.501 -9.991 1.00 0.00 C ATOM 1212 C ALA A 88 2.308 21.630 -10.810 1.00 0.00 C ATOM 1213 O ALA A 88 3.099 21.393 -11.722 1.00 0.00 O ATOM 1214 CB ALA A 88 2.427 20.377 -8.651 1.00 0.00 C ATOM 0 H ALA A 88 2.697 18.857 -10.796 1.00 0.00 H new ATOM 0 HA ALA A 88 0.655 20.726 -9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.368 21.325 -8.116 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.958 19.594 -8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.473 20.123 -8.825 1.00 0.00 H new ATOM 1220 N ILE A 89 1.918 22.859 -10.454 1.00 0.00 N ATOM 1221 CA ILE A 89 2.363 24.076 -11.125 1.00 0.00 C ATOM 1222 C ILE A 89 2.670 25.192 -10.123 1.00 0.00 C ATOM 1223 O ILE A 89 2.071 25.221 -9.054 1.00 0.00 O ATOM 1224 CB ILE A 89 1.318 24.497 -12.176 1.00 0.00 C ATOM 1225 CG1 ILE A 89 -0.067 24.772 -11.555 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.204 23.409 -13.252 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -1.111 25.187 -12.599 1.00 0.00 C ATOM 0 H ILE A 89 1.276 23.034 -9.681 1.00 0.00 H new ATOM 0 HA ILE A 89 3.301 23.874 -11.643 1.00 0.00 H new ATOM 0 HB ILE A 89 1.660 25.431 -12.622 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.413 23.877 -11.037 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.025 25.559 -10.806 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.464 23.708 -13.995 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.171 23.274 -13.737 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.895 22.471 -12.790 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.066 25.368 -12.106 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.783 26.098 -13.100 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.227 24.391 -13.334 1.00 0.00 H new ATOM 1239 N THR A 90 3.592 26.108 -10.480 1.00 0.00 N ATOM 1240 CA THR A 90 4.037 27.230 -9.649 1.00 0.00 C ATOM 1241 C THR A 90 4.417 28.466 -10.475 1.00 0.00 C ATOM 1242 O THR A 90 4.600 28.355 -11.686 1.00 0.00 O ATOM 1243 CB THR A 90 5.271 26.782 -8.840 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.826 27.830 -8.074 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.392 26.297 -9.774 1.00 0.00 C ATOM 0 H THR A 90 4.059 26.081 -11.386 1.00 0.00 H new ATOM 0 HA THR A 90 3.206 27.510 -9.001 1.00 0.00 H new ATOM 0 HB THR A 90 4.914 25.986 -8.186 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.202 28.080 -7.361 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.252 25.986 -9.180 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.034 25.453 -10.364 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.686 27.107 -10.441 1.00 0.00 H new ATOM 1253 N HIS A 91 4.550 29.640 -9.824 1.00 0.00 N ATOM 1254 CA HIS A 91 4.963 30.857 -10.522 1.00 0.00 C ATOM 1255 C HIS A 91 6.477 30.815 -10.718 1.00 0.00 C ATOM 1256 O HIS A 91 6.947 31.022 -11.832 1.00 0.00 O ATOM 1257 CB HIS A 91 4.656 32.194 -9.825 1.00 0.00 C ATOM 1258 CG HIS A 91 3.253 32.719 -9.996 1.00 0.00 C ATOM 1259 ND1 HIS A 91 2.805 33.848 -9.328 1.00 0.00 N ATOM 1260 CD2 HIS A 91 2.188 32.306 -10.757 1.00 0.00 C ATOM 1261 CE1 HIS A 91 1.529 34.052 -9.696 1.00 0.00 C ATOM 1262 NE2 HIS A 91 1.094 33.146 -10.573 1.00 0.00 N ATOM 0 H HIS A 91 4.378 29.762 -8.826 1.00 0.00 H new ATOM 0 HA HIS A 91 4.379 30.846 -11.442 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.853 32.079 -8.759 1.00 0.00 H new ATOM 0 HB3 HIS A 91 5.352 32.945 -10.199 1.00 0.00 H new ATOM 0 HD2 HIS A 91 2.198 31.446 -11.410 1.00 0.00 H new ATOM 0 HE1 HIS A 91 0.921 34.862 -9.322 1.00 0.00 H new ATOM 0 HE2 HIS A 91 0.173 33.083 -11.008 1.00 0.00 H new ATOM 1270 N THR A 92 7.215 30.555 -9.626 1.00 0.00 N ATOM 1271 CA THR A 92 8.670 30.486 -9.545 1.00 0.00 C ATOM 1272 C THR A 92 9.296 29.796 -10.761 1.00 0.00 C ATOM 1273 O THR A 92 9.188 28.579 -10.913 1.00 0.00 O ATOM 1274 CB THR A 92 9.077 29.796 -8.231 1.00 0.00 C ATOM 1275 OG1 THR A 92 8.381 30.379 -7.149 1.00 0.00 O ATOM 1276 CG2 THR A 92 10.582 29.940 -7.982 1.00 0.00 C ATOM 0 H THR A 92 6.776 30.377 -8.723 1.00 0.00 H new ATOM 0 HA THR A 92 9.058 31.505 -9.550 1.00 0.00 H new ATOM 0 HB THR A 92 8.828 28.738 -8.314 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.642 29.935 -6.315 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.845 29.444 -7.048 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.132 29.481 -8.804 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.841 30.997 -7.917 1.00 0.00 H new ATOM 1284 N GLY A 93 9.947 30.599 -11.613 1.00 0.00 N ATOM 1285 CA GLY A 93 10.605 30.180 -12.842 1.00 0.00 C ATOM 1286 C GLY A 93 10.089 31.026 -14.003 1.00 0.00 C ATOM 1287 O GLY A 93 10.867 31.482 -14.837 1.00 0.00 O ATOM 0 H GLY A 93 10.029 31.603 -11.450 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.685 30.292 -12.747 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.410 29.124 -13.031 1.00 0.00 H new ATOM 1291 N ALA A 94 8.766 31.237 -14.036 1.00 0.00 N ATOM 1292 CA ALA A 94 8.053 32.014 -15.038 1.00 0.00 C ATOM 1293 C ALA A 94 8.385 33.508 -14.954 1.00 0.00 C ATOM 1294 O ALA A 94 9.222 33.931 -14.156 1.00 0.00 O ATOM 1295 CB ALA A 94 6.549 31.808 -14.832 1.00 0.00 C ATOM 0 H ALA A 94 8.142 30.849 -13.328 1.00 0.00 H new ATOM 0 HA ALA A 94 8.362 31.670 -16.025 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.998 32.384 -15.575 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.308 30.750 -14.941 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.269 32.143 -13.833 1.00 0.00 H new ATOM 1301 N SER A 95 7.706 34.308 -15.786 1.00 0.00 N ATOM 1302 CA SER A 95 7.881 35.750 -15.857 1.00 0.00 C ATOM 1303 C SER A 95 7.317 36.445 -14.613 1.00 0.00 C ATOM 1304 O SER A 95 8.014 37.245 -13.993 1.00 0.00 O ATOM 1305 CB SER A 95 7.255 36.279 -17.153 1.00 0.00 C ATOM 1306 OG SER A 95 5.884 35.951 -17.235 1.00 0.00 O ATOM 0 H SER A 95 7.007 33.956 -16.439 1.00 0.00 H new ATOM 0 HA SER A 95 8.946 35.979 -15.875 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.375 37.361 -17.201 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.782 35.861 -18.010 1.00 0.00 H new ATOM 0 HG SER A 95 5.513 36.303 -18.071 1.00 0.00 H new ATOM 1312 N GLY A 96 6.065 36.140 -14.243 1.00 0.00 N ATOM 1313 CA GLY A 96 5.410 36.739 -13.091 1.00 0.00 C ATOM 1314 C GLY A 96 4.105 36.012 -12.776 1.00 0.00 C ATOM 1315 O GLY A 96 4.062 35.186 -11.867 1.00 0.00 O ATOM 0 H GLY A 96 5.483 35.467 -14.742 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.073 36.698 -12.227 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.208 37.792 -13.288 1.00 0.00 H new ATOM 1319 N ASN A 97 3.048 36.317 -13.541 1.00 0.00 N ATOM 1320 CA ASN A 97 1.727 35.721 -13.383 1.00 0.00 C ATOM 1321 C ASN A 97 1.713 34.333 -14.030 1.00 0.00 C ATOM 1322 O ASN A 97 1.043 33.429 -13.534 1.00 0.00 O ATOM 1323 CB ASN A 97 0.677 36.651 -14.011 1.00 0.00 C ATOM 1324 CG ASN A 97 -0.766 36.267 -13.672 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -1.170 35.117 -13.826 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -1.563 37.238 -13.216 1.00 0.00 N ATOM 0 H ASN A 97 3.095 36.998 -14.299 1.00 0.00 H new ATOM 0 HA ASN A 97 1.487 35.600 -12.327 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.861 37.671 -13.675 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.800 36.645 -15.094 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.535 37.034 -12.985 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.199 38.184 -13.098 1.00 0.00 H new ATOM 1333 N ASN A 98 2.462 34.165 -15.129 1.00 0.00 N ATOM 1334 CA ASN A 98 2.579 32.910 -15.861 1.00 0.00 C ATOM 1335 C ASN A 98 3.045 31.777 -14.940 1.00 0.00 C ATOM 1336 O ASN A 98 3.632 32.024 -13.886 1.00 0.00 O ATOM 1337 CB ASN A 98 3.515 33.095 -17.062 1.00 0.00 C ATOM 1338 CG ASN A 98 2.890 33.993 -18.130 1.00 0.00 C ATOM 1339 OD1 ASN A 98 2.279 33.497 -19.075 1.00 0.00 O ATOM 1340 ND2 ASN A 98 3.035 35.313 -17.985 1.00 0.00 N ATOM 0 H ASN A 98 3.013 34.920 -15.538 1.00 0.00 H new ATOM 0 HA ASN A 98 1.597 32.625 -16.238 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.457 33.529 -16.726 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.749 32.122 -17.495 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.631 35.949 -18.673 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.549 35.685 -17.187 1.00 0.00 H new ATOM 1347 N PHE A 99 2.772 30.535 -15.353 1.00 0.00 N ATOM 1348 CA PHE A 99 3.096 29.326 -14.611 1.00 0.00 C ATOM 1349 C PHE A 99 4.057 28.401 -15.358 1.00 0.00 C ATOM 1350 O PHE A 99 4.185 28.465 -16.579 1.00 0.00 O ATOM 1351 CB PHE A 99 1.784 28.576 -14.334 1.00 0.00 C ATOM 1352 CG PHE A 99 1.095 29.018 -13.061 1.00 0.00 C ATOM 1353 CD1 PHE A 99 0.203 30.105 -13.054 1.00 0.00 C ATOM 1354 CD2 PHE A 99 1.368 28.329 -11.870 1.00 0.00 C ATOM 1355 CE1 PHE A 99 -0.410 30.495 -11.848 1.00 0.00 C ATOM 1356 CE2 PHE A 99 0.763 28.716 -10.668 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.118 29.808 -10.657 1.00 0.00 C ATOM 0 H PHE A 99 2.306 30.345 -16.240 1.00 0.00 H new ATOM 0 HA PHE A 99 3.600 29.621 -13.691 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.106 28.723 -15.175 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.991 27.507 -14.274 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.011 30.638 -13.969 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.051 27.492 -11.880 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.105 31.322 -11.838 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.973 28.178 -9.756 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.574 30.122 -9.730 1.00 0.00 H new ATOM 1367 N VAL A 100 4.732 27.549 -14.575 1.00 0.00 N ATOM 1368 CA VAL A 100 5.674 26.528 -15.017 1.00 0.00 C ATOM 1369 C VAL A 100 5.341 25.246 -14.255 1.00 0.00 C ATOM 1370 O VAL A 100 4.688 25.279 -13.212 1.00 0.00 O ATOM 1371 CB VAL A 100 7.147 26.930 -14.850 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.541 28.008 -15.860 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.476 27.349 -13.418 1.00 0.00 C ATOM 0 H VAL A 100 4.625 27.559 -13.561 1.00 0.00 H new ATOM 0 HA VAL A 100 5.562 26.383 -16.091 1.00 0.00 H new ATOM 0 HB VAL A 100 7.747 26.044 -15.057 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.589 28.273 -15.719 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.396 27.629 -16.872 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.920 28.891 -15.711 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.529 27.624 -13.352 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.860 28.203 -13.138 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.274 26.519 -12.741 1.00 0.00 H new ATOM 1383 N GLY A 101 5.812 24.119 -14.788 1.00 0.00 N ATOM 1384 CA GLY A 101 5.568 22.795 -14.240 1.00 0.00 C ATOM 1385 C GLY A 101 6.455 22.437 -13.051 1.00 0.00 C ATOM 1386 O GLY A 101 7.495 23.054 -12.826 1.00 0.00 O ATOM 0 H GLY A 101 6.386 24.106 -15.631 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.524 22.728 -13.934 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.718 22.055 -15.026 1.00 0.00 H new ATOM 1390 N CYS A 102 6.004 21.429 -12.293 1.00 0.00 N ATOM 1391 CA CYS A 102 6.667 20.877 -11.121 1.00 0.00 C ATOM 1392 C CYS A 102 6.453 19.365 -11.090 1.00 0.00 C ATOM 1393 O CYS A 102 5.576 18.826 -11.762 1.00 0.00 O ATOM 1394 CB CYS A 102 6.133 21.545 -9.851 1.00 0.00 C ATOM 1395 SG CYS A 102 6.889 21.112 -8.263 1.00 0.00 S ATOM 0 H CYS A 102 5.122 20.958 -12.497 1.00 0.00 H new ATOM 0 HA CYS A 102 7.738 21.075 -11.171 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.226 22.623 -9.979 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.068 21.323 -9.783 1.00 0.00 H new ATOM 1400 N SER A 103 7.275 18.703 -10.277 1.00 0.00 N ATOM 1401 CA SER A 103 7.308 17.257 -10.079 1.00 0.00 C ATOM 1402 C SER A 103 7.447 16.512 -11.410 1.00 0.00 C ATOM 1403 O SER A 103 6.665 15.610 -11.709 1.00 0.00 O ATOM 1404 CB SER A 103 6.075 16.809 -9.290 1.00 0.00 C ATOM 1405 OG SER A 103 6.156 15.442 -8.944 1.00 0.00 O ATOM 0 H SER A 103 7.971 19.187 -9.710 1.00 0.00 H new ATOM 0 HA SER A 103 8.191 17.004 -9.493 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.981 17.410 -8.386 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.178 16.984 -9.884 1.00 0.00 H new ATOM 0 HG SER A 103 6.284 14.906 -9.755 1.00 0.00 H new ATOM 1411 N GLY A 104 8.444 16.902 -12.214 1.00 0.00 N ATOM 1412 CA GLY A 104 8.725 16.289 -13.504 1.00 0.00 C ATOM 1413 C GLY A 104 7.955 16.931 -14.659 1.00 0.00 C ATOM 1414 O GLY A 104 8.262 16.644 -15.815 1.00 0.00 O ATOM 0 H GLY A 104 9.082 17.662 -11.978 1.00 0.00 H new ATOM 0 HA2 GLY A 104 9.794 16.358 -13.706 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.477 15.229 -13.456 1.00 0.00 H new ATOM 1418 N THR A 105 6.971 17.799 -14.372 1.00 0.00 N ATOM 1419 CA THR A 105 6.170 18.453 -15.402 1.00 0.00 C ATOM 1420 C THR A 105 6.970 19.620 -15.979 1.00 0.00 C ATOM 1421 O THR A 105 7.709 20.291 -15.258 1.00 0.00 O ATOM 1422 CB THR A 105 4.825 18.916 -14.823 1.00 0.00 C ATOM 1423 OG1 THR A 105 4.157 17.822 -14.231 1.00 0.00 O ATOM 1424 CG2 THR A 105 3.910 19.540 -15.883 1.00 0.00 C ATOM 0 H THR A 105 6.714 18.062 -13.420 1.00 0.00 H new ATOM 0 HA THR A 105 5.946 17.750 -16.205 1.00 0.00 H new ATOM 0 HB THR A 105 5.047 19.682 -14.080 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.381 17.779 -13.278 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.974 19.849 -15.419 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.401 20.408 -16.322 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.704 18.807 -16.663 1.00 0.00 H new ATOM 1432 N ASN A 106 6.820 19.848 -17.288 1.00 0.00 N ATOM 1433 CA ASN A 106 7.507 20.900 -18.020 1.00 0.00 C ATOM 1434 C ASN A 106 6.754 21.217 -19.312 1.00 0.00 C ATOM 1435 O ASN A 106 6.178 20.270 -19.893 1.00 0.00 O ATOM 1436 CB ASN A 106 8.963 20.490 -18.302 1.00 0.00 C ATOM 1437 CG ASN A 106 9.070 19.209 -19.132 1.00 0.00 C ATOM 1438 OD1 ASN A 106 9.277 19.270 -20.343 1.00 0.00 O ATOM 1439 ND2 ASN A 106 8.939 18.046 -18.486 1.00 0.00 N ATOM 1440 OXT ASN A 106 6.866 22.378 -19.761 1.00 0.00 O ATOM 0 H ASN A 106 6.201 19.289 -17.876 1.00 0.00 H new ATOM 0 HA ASN A 106 7.529 21.805 -17.413 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.468 21.301 -18.827 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.485 20.349 -17.356 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.010 17.167 -18.999 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.768 18.038 -17.480 1.00 0.00 H new TER 1447 ASN A 106