USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 TYR OH : rot 180:sc=-0.00669 USER MOD Set 1.2: A 41 THR OG1 : rot 180:sc= 0.0133 USER MOD Set 1.3: A 57 GLN : amide:sc= -1.34 K(o=-0.96,f=-3.1!) USER MOD Set 1.4: A 81 THR OG1 : rot -35:sc= 0.368 USER MOD Set 2.1: A 37 THR OG1 : rot -66:sc= 0.86 USER MOD Set 2.2: A 40 HIS : no HD1:sc= -0.179 K(o=0.68,f=-1.9) USER MOD Set 3.1: A 15 GLN : amide:sc= -0.0734 K(o=-0.56,f=-2.3) USER MOD Set 3.2: A 62 LYS NZ :NH3+ 163:sc= -0.49 (180deg=-0.0239) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 91:sc= 0.468 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= -0.449 X(o=-0.45,f=-0.088) USER MOD Single : A 11 TYR OH : rot 180:sc= -1.4 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 21 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.027) USER MOD Single : A 25 GLN : amide:sc= -0.0863 X(o=-0.086,f=-0.051) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.0416 K(o=0.042,f=1.1) USER MOD Single : A 29 ASN : amide:sc= -0.0058 X(o=-0.0058,f=-0.0058) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 78:sc= 2.05 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0327 X(o=-0.033,f=-0.026) USER MOD Single : A 44 ASN : amide:sc= -0.0511 K(o=-0.051,f=1.5) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 82:sc= 1.7 USER MOD Single : A 63 SER OG : rot -128:sc= 1.03 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 108:sc= 0.00519 USER MOD Single : A 80 ASN : amide:sc= -0.272 X(o=-0.27,f=0.1) USER MOD Single : A 82 ASN : amide:sc= 0.0338 K(o=0.034,f=-0.48) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.345 USER MOD Single : A 90 THR OG1 : rot 56:sc= 1.2 USER MOD Single : A 91 HIS : no HD1:sc= -3.98 X(o=-4,f=-4.4!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0256 X(o=-0.026,f=-0.026) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 7.138 12.537 -5.591 1.00 0.00 N ATOM 16 CA SER A 2 8.097 12.162 -4.562 1.00 0.00 C ATOM 17 C SER A 2 9.083 13.308 -4.334 1.00 0.00 C ATOM 18 O SER A 2 10.048 13.440 -5.086 1.00 0.00 O ATOM 19 CB SER A 2 8.819 10.872 -4.971 1.00 0.00 C ATOM 20 OG SER A 2 9.764 10.500 -3.990 1.00 0.00 O ATOM 0 HA SER A 2 7.577 11.973 -3.623 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.093 10.070 -5.107 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.319 11.016 -5.929 1.00 0.00 H new ATOM 0 HG SER A 2 10.214 9.674 -4.266 1.00 0.00 H new ATOM 26 N ALA A 3 8.838 14.117 -3.295 1.00 0.00 N ATOM 27 CA ALA A 3 9.643 15.271 -2.911 1.00 0.00 C ATOM 28 C ALA A 3 9.780 16.212 -4.108 1.00 0.00 C ATOM 29 O ALA A 3 10.804 16.195 -4.792 1.00 0.00 O ATOM 30 CB ALA A 3 10.991 14.818 -2.338 1.00 0.00 C ATOM 0 H ALA A 3 8.039 13.974 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 3 9.150 15.829 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.579 15.692 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.822 14.196 -1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.532 14.244 -3.090 1.00 0.00 H new ATOM 36 N THR A 4 8.751 17.040 -4.345 1.00 0.00 N ATOM 37 CA THR A 4 8.704 17.957 -5.478 1.00 0.00 C ATOM 38 C THR A 4 8.952 19.405 -5.053 1.00 0.00 C ATOM 39 O THR A 4 8.450 19.853 -4.023 1.00 0.00 O ATOM 40 CB THR A 4 7.398 17.747 -6.266 1.00 0.00 C ATOM 41 OG1 THR A 4 7.476 18.389 -7.522 1.00 0.00 O ATOM 42 CG2 THR A 4 6.142 18.251 -5.548 1.00 0.00 C ATOM 0 H THR A 4 7.926 17.087 -3.747 1.00 0.00 H new ATOM 0 HA THR A 4 9.524 17.729 -6.159 1.00 0.00 H new ATOM 0 HB THR A 4 7.300 16.667 -6.373 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.823 17.761 -8.189 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.267 18.065 -6.171 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.030 17.726 -4.599 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.234 19.321 -5.362 1.00 0.00 H new ATOM 50 N THR A 5 9.748 20.119 -5.862 1.00 0.00 N ATOM 51 CA THR A 5 10.126 21.512 -5.687 1.00 0.00 C ATOM 52 C THR A 5 9.575 22.344 -6.838 1.00 0.00 C ATOM 53 O THR A 5 9.829 22.055 -8.005 1.00 0.00 O ATOM 54 CB THR A 5 11.656 21.669 -5.627 1.00 0.00 C ATOM 55 OG1 THR A 5 12.312 20.669 -6.380 1.00 0.00 O ATOM 56 CG2 THR A 5 12.139 21.639 -4.179 1.00 0.00 C ATOM 0 H THR A 5 10.163 19.710 -6.699 1.00 0.00 H new ATOM 0 HA THR A 5 9.706 21.861 -4.744 1.00 0.00 H new ATOM 0 HB THR A 5 11.905 22.635 -6.066 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.282 20.799 -6.322 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.223 21.751 -4.155 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.677 22.456 -3.624 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.862 20.689 -3.723 1.00 0.00 H new ATOM 64 N CYS A 6 8.827 23.388 -6.478 1.00 0.00 N ATOM 65 CA CYS A 6 8.216 24.336 -7.391 1.00 0.00 C ATOM 66 C CYS A 6 9.040 25.619 -7.281 1.00 0.00 C ATOM 67 O CYS A 6 8.594 26.623 -6.723 1.00 0.00 O ATOM 68 CB CYS A 6 6.741 24.497 -7.006 1.00 0.00 C ATOM 69 SG CYS A 6 5.555 23.478 -7.933 1.00 0.00 S ATOM 0 H CYS A 6 8.626 23.599 -5.500 1.00 0.00 H new ATOM 0 HA CYS A 6 8.218 24.018 -8.433 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.636 24.266 -5.946 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.466 25.544 -7.133 1.00 0.00 H new ATOM 74 N GLY A 7 10.267 25.557 -7.821 1.00 0.00 N ATOM 75 CA GLY A 7 11.227 26.645 -7.811 1.00 0.00 C ATOM 76 C GLY A 7 11.890 26.693 -6.436 1.00 0.00 C ATOM 77 O GLY A 7 12.998 26.190 -6.261 1.00 0.00 O ATOM 0 H GLY A 7 10.618 24.720 -8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.977 26.496 -8.588 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.730 27.591 -8.025 1.00 0.00 H new ATOM 81 N SER A 8 11.188 27.303 -5.475 1.00 0.00 N ATOM 82 CA SER A 8 11.595 27.457 -4.084 1.00 0.00 C ATOM 83 C SER A 8 10.542 26.867 -3.142 1.00 0.00 C ATOM 84 O SER A 8 10.894 26.400 -2.060 1.00 0.00 O ATOM 85 CB SER A 8 11.838 28.942 -3.789 1.00 0.00 C ATOM 86 OG SER A 8 12.277 29.113 -2.458 1.00 0.00 O ATOM 0 H SER A 8 10.277 27.721 -5.661 1.00 0.00 H new ATOM 0 HA SER A 8 12.522 26.909 -3.916 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.583 29.339 -4.478 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.920 29.507 -3.951 1.00 0.00 H new ATOM 0 HG SER A 8 12.430 30.065 -2.284 1.00 0.00 H new ATOM 92 N THR A 9 9.259 26.894 -3.540 1.00 0.00 N ATOM 93 CA THR A 9 8.151 26.357 -2.765 1.00 0.00 C ATOM 94 C THR A 9 8.288 24.828 -2.785 1.00 0.00 C ATOM 95 O THR A 9 7.792 24.156 -3.687 1.00 0.00 O ATOM 96 CB THR A 9 6.820 26.865 -3.348 1.00 0.00 C ATOM 97 OG1 THR A 9 6.886 28.257 -3.588 1.00 0.00 O ATOM 98 CG2 THR A 9 5.675 26.604 -2.367 1.00 0.00 C ATOM 0 H THR A 9 8.968 27.300 -4.429 1.00 0.00 H new ATOM 0 HA THR A 9 8.167 26.690 -1.727 1.00 0.00 H new ATOM 0 HB THR A 9 6.641 26.333 -4.282 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.034 28.566 -3.960 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.740 26.969 -2.793 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.594 25.533 -2.178 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.873 27.124 -1.430 1.00 0.00 H new ATOM 106 N ASN A 10 8.980 24.295 -1.771 1.00 0.00 N ATOM 107 CA ASN A 10 9.278 22.880 -1.603 1.00 0.00 C ATOM 108 C ASN A 10 8.212 22.106 -0.827 1.00 0.00 C ATOM 109 O ASN A 10 7.590 22.641 0.091 1.00 0.00 O ATOM 110 CB ASN A 10 10.647 22.742 -0.923 1.00 0.00 C ATOM 111 CG ASN A 10 10.671 23.315 0.495 1.00 0.00 C ATOM 112 OD1 ASN A 10 10.436 22.591 1.460 1.00 0.00 O ATOM 113 ND2 ASN A 10 10.964 24.612 0.625 1.00 0.00 N ATOM 0 H ASN A 10 9.360 24.867 -1.017 1.00 0.00 H new ATOM 0 HA ASN A 10 9.290 22.433 -2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 10 10.924 21.688 -0.888 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.399 23.250 -1.527 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.999 25.037 1.552 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.153 25.178 -0.203 1.00 0.00 H new ATOM 120 N TYR A 11 8.012 20.842 -1.228 1.00 0.00 N ATOM 121 CA TYR A 11 7.076 19.905 -0.620 1.00 0.00 C ATOM 122 C TYR A 11 7.648 18.491 -0.567 1.00 0.00 C ATOM 123 O TYR A 11 8.206 18.003 -1.552 1.00 0.00 O ATOM 124 CB TYR A 11 5.780 19.806 -1.428 1.00 0.00 C ATOM 125 CG TYR A 11 5.294 21.097 -2.021 1.00 0.00 C ATOM 126 CD1 TYR A 11 4.693 22.065 -1.204 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.441 21.317 -3.397 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.226 23.261 -1.766 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.982 22.505 -3.966 1.00 0.00 C ATOM 130 CZ TYR A 11 4.376 23.471 -3.151 1.00 0.00 C ATOM 131 OH TYR A 11 3.949 24.618 -3.728 1.00 0.00 O ATOM 0 H TYR A 11 8.520 20.436 -2.014 1.00 0.00 H new ATOM 0 HA TYR A 11 6.888 20.289 0.383 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.928 19.088 -2.234 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.999 19.405 -0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.590 21.889 -0.143 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.910 20.567 -4.017 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.758 24.011 -1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.093 22.679 -5.026 1.00 0.00 H new ATOM 0 HH TYR A 11 4.135 24.589 -4.690 1.00 0.00 H new ATOM 141 N SER A 12 7.482 17.849 0.591 1.00 0.00 N ATOM 142 CA SER A 12 7.891 16.483 0.879 1.00 0.00 C ATOM 143 C SER A 12 6.967 15.537 0.144 1.00 0.00 C ATOM 144 O SER A 12 5.846 15.904 -0.197 1.00 0.00 O ATOM 145 CB SER A 12 7.819 16.252 2.391 1.00 0.00 C ATOM 146 OG SER A 12 8.755 17.074 3.054 1.00 0.00 O ATOM 0 H SER A 12 7.035 18.296 1.391 1.00 0.00 H new ATOM 0 HA SER A 12 8.914 16.305 0.548 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.814 16.469 2.752 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.020 15.205 2.616 1.00 0.00 H new ATOM 0 HG SER A 12 8.699 16.920 4.020 1.00 0.00 H new ATOM 152 N ALA A 13 7.449 14.314 -0.112 1.00 0.00 N ATOM 153 CA ALA A 13 6.647 13.286 -0.754 1.00 0.00 C ATOM 154 C ALA A 13 5.389 13.072 0.097 1.00 0.00 C ATOM 155 O ALA A 13 4.368 12.608 -0.406 1.00 0.00 O ATOM 156 CB ALA A 13 7.459 11.990 -0.830 1.00 0.00 C ATOM 0 H ALA A 13 8.397 14.019 0.121 1.00 0.00 H new ATOM 0 HA ALA A 13 6.367 13.583 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.863 11.215 -1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.366 12.162 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.728 11.669 0.177 1.00 0.00 H new ATOM 162 N SER A 14 5.481 13.437 1.388 1.00 0.00 N ATOM 163 CA SER A 14 4.385 13.284 2.336 1.00 0.00 C ATOM 164 C SER A 14 3.337 14.377 2.103 1.00 0.00 C ATOM 165 O SER A 14 2.148 14.128 2.267 1.00 0.00 O ATOM 166 CB SER A 14 4.905 13.290 3.779 1.00 0.00 C ATOM 167 OG SER A 14 5.477 14.535 4.116 1.00 0.00 O ATOM 0 H SER A 14 6.322 13.846 1.795 1.00 0.00 H new ATOM 0 HA SER A 14 3.907 12.318 2.174 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.086 13.067 4.463 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.647 12.502 3.903 1.00 0.00 H new ATOM 0 HG SER A 14 5.797 14.508 5.042 1.00 0.00 H new ATOM 173 N GLN A 15 3.787 15.577 1.712 1.00 0.00 N ATOM 174 CA GLN A 15 2.958 16.744 1.449 1.00 0.00 C ATOM 175 C GLN A 15 2.226 16.625 0.113 1.00 0.00 C ATOM 176 O GLN A 15 1.073 17.043 0.009 1.00 0.00 O ATOM 177 CB GLN A 15 3.816 18.009 1.529 1.00 0.00 C ATOM 178 CG GLN A 15 4.374 18.210 2.945 1.00 0.00 C ATOM 179 CD GLN A 15 3.330 18.704 3.947 1.00 0.00 C ATOM 180 OE1 GLN A 15 2.222 19.085 3.576 1.00 0.00 O ATOM 181 NE2 GLN A 15 3.698 18.705 5.230 1.00 0.00 N ATOM 0 H GLN A 15 4.780 15.761 1.567 1.00 0.00 H new ATOM 0 HA GLN A 15 2.183 16.807 2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.639 17.940 0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.219 18.875 1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.790 17.267 3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.195 18.926 2.905 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.628 18.380 5.494 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.049 19.031 5.946 1.00 0.00 H new ATOM 190 N VAL A 16 2.892 16.068 -0.906 1.00 0.00 N ATOM 191 CA VAL A 16 2.289 15.865 -2.220 1.00 0.00 C ATOM 192 C VAL A 16 1.133 14.884 -2.012 1.00 0.00 C ATOM 193 O VAL A 16 0.021 15.117 -2.479 1.00 0.00 O ATOM 194 CB VAL A 16 3.290 15.310 -3.247 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.639 15.213 -4.625 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.510 16.228 -3.381 1.00 0.00 C ATOM 0 H VAL A 16 3.858 15.748 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 16 1.948 16.817 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 16 3.599 14.326 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.360 14.819 -5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.777 14.548 -4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.315 16.203 -4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.201 15.811 -4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.187 17.216 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.011 16.311 -2.416 1.00 0.00 H new ATOM 206 N ARG A 17 1.429 13.793 -1.292 1.00 0.00 N ATOM 207 CA ARG A 17 0.503 12.731 -0.944 1.00 0.00 C ATOM 208 C ARG A 17 -0.623 13.241 -0.037 1.00 0.00 C ATOM 209 O ARG A 17 -1.740 12.738 -0.125 1.00 0.00 O ATOM 210 CB ARG A 17 1.313 11.619 -0.263 1.00 0.00 C ATOM 211 CG ARG A 17 0.497 10.369 0.078 1.00 0.00 C ATOM 212 CD ARG A 17 1.409 9.351 0.772 1.00 0.00 C ATOM 213 NE ARG A 17 0.695 8.100 1.056 1.00 0.00 N ATOM 214 CZ ARG A 17 0.638 7.025 0.249 1.00 0.00 C ATOM 215 NH1 ARG A 17 1.254 7.006 -0.945 1.00 0.00 N ATOM 216 NH2 ARG A 17 -0.052 5.949 0.650 1.00 0.00 N ATOM 0 H ARG A 17 2.366 13.629 -0.924 1.00 0.00 H new ATOM 0 HA ARG A 17 0.017 12.348 -1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.138 11.334 -0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.753 12.014 0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.338 10.630 0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.073 9.938 -0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.273 9.144 0.140 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.789 9.774 1.702 1.00 0.00 H new ATOM 0 HE ARG A 17 0.198 8.041 1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.782 7.820 -1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.194 6.177 -1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.524 5.954 1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.106 5.125 0.051 1.00 0.00 H new ATOM 230 N ALA A 18 -0.346 14.236 0.821 1.00 0.00 N ATOM 231 CA ALA A 18 -1.329 14.787 1.743 1.00 0.00 C ATOM 232 C ALA A 18 -2.403 15.539 0.967 1.00 0.00 C ATOM 233 O ALA A 18 -3.584 15.213 1.088 1.00 0.00 O ATOM 234 CB ALA A 18 -0.661 15.700 2.776 1.00 0.00 C ATOM 0 H ALA A 18 0.572 14.676 0.888 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.798 13.965 2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.417 16.098 3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.072 15.129 3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.161 16.523 2.265 1.00 0.00 H new ATOM 240 N ALA A 19 -1.996 16.532 0.163 1.00 0.00 N ATOM 241 CA ALA A 19 -2.951 17.302 -0.624 1.00 0.00 C ATOM 242 C ALA A 19 -3.604 16.419 -1.691 1.00 0.00 C ATOM 243 O ALA A 19 -4.738 16.677 -2.085 1.00 0.00 O ATOM 244 CB ALA A 19 -2.351 18.598 -1.182 1.00 0.00 C ATOM 0 H ALA A 19 -1.023 16.813 0.046 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.746 17.635 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.107 19.130 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.014 19.227 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.504 18.359 -1.826 1.00 0.00 H new ATOM 250 N ALA A 20 -2.923 15.368 -2.169 1.00 0.00 N ATOM 251 CA ALA A 20 -3.526 14.492 -3.160 1.00 0.00 C ATOM 252 C ALA A 20 -4.639 13.675 -2.526 1.00 0.00 C ATOM 253 O ALA A 20 -5.716 13.552 -3.107 1.00 0.00 O ATOM 254 CB ALA A 20 -2.475 13.637 -3.868 1.00 0.00 C ATOM 0 H ALA A 20 -1.976 15.115 -1.888 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.981 15.100 -3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.962 12.995 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.758 14.285 -4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.954 13.021 -3.136 1.00 0.00 H new ATOM 260 N ASN A 21 -4.384 13.127 -1.335 1.00 0.00 N ATOM 261 CA ASN A 21 -5.386 12.375 -0.608 1.00 0.00 C ATOM 262 C ASN A 21 -6.478 13.349 -0.140 1.00 0.00 C ATOM 263 O ASN A 21 -7.579 12.912 0.183 1.00 0.00 O ATOM 264 CB ASN A 21 -4.729 11.664 0.583 1.00 0.00 C ATOM 265 CG ASN A 21 -5.733 10.844 1.391 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.055 11.197 2.523 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.232 9.748 0.810 1.00 0.00 N ATOM 0 H ASN A 21 -3.484 13.196 -0.859 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.837 11.615 -1.246 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.936 11.010 0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.261 12.404 1.232 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.907 9.169 1.309 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.937 9.491 -0.132 1.00 0.00 H new ATOM 274 N ALA A 22 -6.197 14.665 -0.125 1.00 0.00 N ATOM 275 CA ALA A 22 -7.176 15.643 0.341 1.00 0.00 C ATOM 276 C ALA A 22 -8.134 15.800 -0.824 1.00 0.00 C ATOM 277 O ALA A 22 -9.287 15.390 -0.719 1.00 0.00 O ATOM 278 CB ALA A 22 -6.507 16.942 0.785 1.00 0.00 C ATOM 0 H ALA A 22 -5.309 15.064 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.711 15.324 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.267 17.645 1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.814 16.734 1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.961 17.375 -0.053 1.00 0.00 H new ATOM 284 N ALA A 23 -7.641 16.410 -1.910 1.00 0.00 N ATOM 285 CA ALA A 23 -8.382 16.577 -3.160 1.00 0.00 C ATOM 286 C ALA A 23 -9.243 15.350 -3.500 1.00 0.00 C ATOM 287 O ALA A 23 -10.458 15.475 -3.634 1.00 0.00 O ATOM 288 CB ALA A 23 -7.397 16.763 -4.314 1.00 0.00 C ATOM 0 H ALA A 23 -6.702 16.806 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.030 17.444 -3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.948 16.888 -5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.787 17.648 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.753 15.887 -4.388 1.00 0.00 H new ATOM 294 N CYS A 24 -8.616 14.167 -3.626 1.00 0.00 N ATOM 295 CA CYS A 24 -9.294 12.920 -3.967 1.00 0.00 C ATOM 296 C CYS A 24 -10.429 12.583 -3.000 1.00 0.00 C ATOM 297 O CYS A 24 -11.477 12.125 -3.445 1.00 0.00 O ATOM 298 CB CYS A 24 -8.298 11.757 -4.107 1.00 0.00 C ATOM 299 SG CYS A 24 -9.082 10.131 -4.359 1.00 0.00 S ATOM 0 H CYS A 24 -7.611 14.057 -3.491 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.759 13.074 -4.941 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.633 11.962 -4.946 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.678 11.714 -3.212 1.00 0.00 H new ATOM 304 N GLN A 25 -10.250 12.789 -1.689 1.00 0.00 N ATOM 305 CA GLN A 25 -11.304 12.496 -0.725 1.00 0.00 C ATOM 306 C GLN A 25 -12.289 13.654 -0.497 1.00 0.00 C ATOM 307 O GLN A 25 -13.244 13.453 0.250 1.00 0.00 O ATOM 308 CB GLN A 25 -10.668 12.042 0.598 1.00 0.00 C ATOM 309 CG GLN A 25 -9.819 10.771 0.432 1.00 0.00 C ATOM 310 CD GLN A 25 -10.645 9.573 -0.027 1.00 0.00 C ATOM 311 OE1 GLN A 25 -10.556 9.163 -1.183 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.451 9.009 0.878 1.00 0.00 N ATOM 0 H GLN A 25 -9.390 13.155 -1.279 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.908 11.694 -1.149 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.044 12.844 0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.453 11.859 1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.026 10.960 -0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.336 10.534 1.380 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.493 9.382 1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.024 8.205 0.620 1.00 0.00 H new ATOM 321 N TYR A 26 -12.101 14.835 -1.118 1.00 0.00 N ATOM 322 CA TYR A 26 -12.983 15.990 -0.924 1.00 0.00 C ATOM 323 C TYR A 26 -13.712 16.440 -2.193 1.00 0.00 C ATOM 324 O TYR A 26 -14.937 16.368 -2.236 1.00 0.00 O ATOM 325 CB TYR A 26 -12.205 17.179 -0.330 1.00 0.00 C ATOM 326 CG TYR A 26 -11.458 16.958 0.977 1.00 0.00 C ATOM 327 CD1 TYR A 26 -11.868 15.985 1.912 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.337 17.759 1.263 1.00 0.00 C ATOM 329 CE1 TYR A 26 -11.148 15.799 3.103 1.00 0.00 C ATOM 330 CE2 TYR A 26 -9.631 17.588 2.467 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.030 16.600 3.381 1.00 0.00 C ATOM 332 OH TYR A 26 -9.335 16.429 4.543 1.00 0.00 O ATOM 0 H TYR A 26 -11.333 15.009 -1.766 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.749 15.652 -0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.483 17.513 -1.076 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -12.909 17.997 -0.179 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.740 15.380 1.711 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.017 18.509 0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.455 15.039 3.806 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.781 18.217 2.689 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.590 17.065 4.575 1.00 0.00 H new ATOM 342 N TYR A 27 -12.977 16.885 -3.224 1.00 0.00 N ATOM 343 CA TYR A 27 -13.522 17.406 -4.476 1.00 0.00 C ATOM 344 C TYR A 27 -14.569 16.467 -5.080 1.00 0.00 C ATOM 345 O TYR A 27 -15.611 16.915 -5.555 1.00 0.00 O ATOM 346 CB TYR A 27 -12.383 17.709 -5.480 1.00 0.00 C ATOM 347 CG TYR A 27 -12.829 17.571 -6.925 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.553 18.589 -7.582 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.521 16.379 -7.607 1.00 0.00 C ATOM 350 CE1 TYR A 27 -13.974 18.388 -8.906 1.00 0.00 C ATOM 351 CE2 TYR A 27 -12.930 16.193 -8.934 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.672 17.192 -9.583 1.00 0.00 C ATOM 353 OH TYR A 27 -14.087 17.003 -10.869 1.00 0.00 O ATOM 0 H TYR A 27 -11.957 16.890 -3.203 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.035 18.341 -4.251 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.015 18.721 -5.312 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.550 17.032 -5.294 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.781 19.513 -7.071 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.965 15.602 -7.104 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.536 19.160 -9.411 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.675 15.283 -9.456 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.791 16.123 -11.182 1.00 0.00 H new ATOM 363 N GLN A 28 -14.269 15.170 -5.037 1.00 0.00 N ATOM 364 CA GLN A 28 -15.095 14.097 -5.588 1.00 0.00 C ATOM 365 C GLN A 28 -15.883 13.286 -4.550 1.00 0.00 C ATOM 366 O GLN A 28 -16.402 12.220 -4.877 1.00 0.00 O ATOM 367 CB GLN A 28 -14.279 13.230 -6.545 1.00 0.00 C ATOM 368 CG GLN A 28 -13.097 12.772 -5.736 1.00 0.00 C ATOM 369 CD GLN A 28 -12.302 11.669 -6.403 1.00 0.00 C ATOM 370 OE1 GLN A 28 -12.621 10.495 -6.234 1.00 0.00 O ATOM 371 NE2 GLN A 28 -11.263 12.056 -7.149 1.00 0.00 N ATOM 0 H GLN A 28 -13.413 14.825 -4.602 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.883 14.584 -6.162 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.863 12.383 -6.907 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.963 13.797 -7.421 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.441 13.623 -5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.445 12.422 -4.764 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.049 13.048 -7.250 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.684 11.359 -7.617 1.00 0.00 H new ATOM 380 N ASN A 29 -15.987 13.782 -3.312 1.00 0.00 N ATOM 381 CA ASN A 29 -16.683 13.129 -2.214 1.00 0.00 C ATOM 382 C ASN A 29 -17.114 14.230 -1.247 1.00 0.00 C ATOM 383 O ASN A 29 -16.670 14.275 -0.100 1.00 0.00 O ATOM 384 CB ASN A 29 -15.781 12.068 -1.551 1.00 0.00 C ATOM 385 CG ASN A 29 -15.824 10.712 -2.260 1.00 0.00 C ATOM 386 OD1 ASN A 29 -16.791 9.968 -2.107 1.00 0.00 O ATOM 387 ND2 ASN A 29 -14.780 10.379 -3.027 1.00 0.00 N ATOM 0 H ASN A 29 -15.574 14.676 -3.046 1.00 0.00 H new ATOM 0 HA ASN A 29 -17.562 12.587 -2.561 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.753 12.431 -1.537 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -16.087 11.938 -0.513 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.768 9.481 -3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.996 11.024 -3.129 1.00 0.00 H new ATOM 394 N ASP A 30 -17.982 15.122 -1.749 1.00 0.00 N ATOM 395 CA ASP A 30 -18.559 16.256 -1.037 1.00 0.00 C ATOM 396 C ASP A 30 -17.444 17.221 -0.642 1.00 0.00 C ATOM 397 O ASP A 30 -16.857 17.089 0.432 1.00 0.00 O ATOM 398 CB ASP A 30 -19.407 15.801 0.161 1.00 0.00 C ATOM 399 CG ASP A 30 -20.505 14.828 -0.264 1.00 0.00 C ATOM 400 OD1 ASP A 30 -21.545 15.321 -0.752 1.00 0.00 O ATOM 401 OD2 ASP A 30 -20.281 13.609 -0.101 1.00 0.00 O ATOM 0 H ASP A 30 -18.313 15.062 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.247 16.785 -1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -18.765 15.325 0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -19.856 16.671 0.641 1.00 0.00 H new ATOM 406 N ASP A 31 -17.162 18.192 -1.519 1.00 0.00 N ATOM 407 CA ASP A 31 -16.110 19.172 -1.309 1.00 0.00 C ATOM 408 C ASP A 31 -16.274 19.962 -0.016 1.00 0.00 C ATOM 409 O ASP A 31 -17.210 20.744 0.144 1.00 0.00 O ATOM 410 CB ASP A 31 -15.930 20.082 -2.527 1.00 0.00 C ATOM 411 CG ASP A 31 -17.149 20.945 -2.840 1.00 0.00 C ATOM 412 OD1 ASP A 31 -18.142 20.371 -3.339 1.00 0.00 O ATOM 413 OD2 ASP A 31 -17.064 22.165 -2.582 1.00 0.00 O ATOM 0 H ASP A 31 -17.666 18.314 -2.398 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.187 18.605 -1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.071 20.731 -2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.700 19.467 -3.397 1.00 0.00 H new ATOM 418 N THR A 32 -15.335 19.719 0.902 1.00 0.00 N ATOM 419 CA THR A 32 -15.242 20.364 2.200 1.00 0.00 C ATOM 420 C THR A 32 -14.226 21.499 2.080 1.00 0.00 C ATOM 421 O THR A 32 -14.384 22.544 2.707 1.00 0.00 O ATOM 422 CB THR A 32 -14.942 19.366 3.325 1.00 0.00 C ATOM 423 OG1 THR A 32 -14.998 20.024 4.574 1.00 0.00 O ATOM 424 CG2 THR A 32 -13.571 18.723 3.158 1.00 0.00 C ATOM 0 H THR A 32 -14.591 19.038 0.748 1.00 0.00 H new ATOM 0 HA THR A 32 -16.203 20.789 2.488 1.00 0.00 H new ATOM 0 HB THR A 32 -15.695 18.579 3.279 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.807 19.383 5.290 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.396 18.022 3.974 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.532 18.190 2.208 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.803 19.496 3.172 1.00 0.00 H new ATOM 432 N ALA A 33 -13.187 21.283 1.258 1.00 0.00 N ATOM 433 CA ALA A 33 -12.148 22.254 0.998 1.00 0.00 C ATOM 434 C ALA A 33 -12.678 23.243 -0.036 1.00 0.00 C ATOM 435 O ALA A 33 -12.654 22.967 -1.235 1.00 0.00 O ATOM 436 CB ALA A 33 -10.878 21.560 0.519 1.00 0.00 C ATOM 0 H ALA A 33 -13.056 20.407 0.753 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.886 22.791 1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.106 22.305 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.531 20.867 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.088 21.011 -0.399 1.00 0.00 H new ATOM 442 N GLY A 34 -13.161 24.391 0.450 1.00 0.00 N ATOM 443 CA GLY A 34 -13.728 25.453 -0.365 1.00 0.00 C ATOM 444 C GLY A 34 -13.352 26.826 0.181 1.00 0.00 C ATOM 445 O GLY A 34 -14.225 27.664 0.400 1.00 0.00 O ATOM 0 H GLY A 34 -13.165 24.606 1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.373 25.357 -1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.813 25.354 -0.393 1.00 0.00 H new ATOM 449 N SER A 35 -12.051 27.050 0.403 1.00 0.00 N ATOM 450 CA SER A 35 -11.527 28.313 0.899 1.00 0.00 C ATOM 451 C SER A 35 -11.611 29.373 -0.196 1.00 0.00 C ATOM 452 O SER A 35 -12.173 30.444 0.023 1.00 0.00 O ATOM 453 CB SER A 35 -10.067 28.144 1.331 1.00 0.00 C ATOM 454 OG SER A 35 -9.984 27.662 2.653 1.00 0.00 O ATOM 0 H SER A 35 -11.331 26.347 0.239 1.00 0.00 H new ATOM 0 HA SER A 35 -12.121 28.627 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.562 27.453 0.656 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.549 29.100 1.255 1.00 0.00 H new ATOM 0 HG SER A 35 -10.173 26.700 2.663 1.00 0.00 H new ATOM 460 N SER A 36 -11.057 29.053 -1.372 1.00 0.00 N ATOM 461 CA SER A 36 -11.010 29.921 -2.535 1.00 0.00 C ATOM 462 C SER A 36 -11.924 29.325 -3.606 1.00 0.00 C ATOM 463 O SER A 36 -12.775 28.487 -3.301 1.00 0.00 O ATOM 464 CB SER A 36 -9.548 30.026 -2.996 1.00 0.00 C ATOM 465 OG SER A 36 -8.742 30.548 -1.960 1.00 0.00 O ATOM 0 H SER A 36 -10.616 28.148 -1.536 1.00 0.00 H new ATOM 0 HA SER A 36 -11.362 30.929 -2.316 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.181 29.043 -3.291 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.482 30.667 -3.875 1.00 0.00 H new ATOM 0 HG SER A 36 -7.813 30.608 -2.267 1.00 0.00 H new ATOM 471 N THR A 37 -11.749 29.749 -4.863 1.00 0.00 N ATOM 472 CA THR A 37 -12.522 29.269 -5.998 1.00 0.00 C ATOM 473 C THR A 37 -11.922 27.949 -6.515 1.00 0.00 C ATOM 474 O THR A 37 -11.664 27.791 -7.703 1.00 0.00 O ATOM 475 CB THR A 37 -12.610 30.407 -7.034 1.00 0.00 C ATOM 476 OG1 THR A 37 -13.544 30.076 -8.034 1.00 0.00 O ATOM 477 CG2 THR A 37 -11.274 30.816 -7.675 1.00 0.00 C ATOM 0 H THR A 37 -11.051 30.448 -5.117 1.00 0.00 H new ATOM 0 HA THR A 37 -13.548 29.019 -5.728 1.00 0.00 H new ATOM 0 HB THR A 37 -12.935 31.282 -6.471 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.218 29.305 -8.543 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.444 31.623 -8.388 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.587 31.156 -6.900 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.841 29.960 -8.192 1.00 0.00 H new ATOM 485 N TYR A 38 -11.687 26.995 -5.601 1.00 0.00 N ATOM 486 CA TYR A 38 -11.108 25.680 -5.854 1.00 0.00 C ATOM 487 C TYR A 38 -11.863 24.694 -4.972 1.00 0.00 C ATOM 488 O TYR A 38 -12.207 25.031 -3.838 1.00 0.00 O ATOM 489 CB TYR A 38 -9.604 25.726 -5.532 1.00 0.00 C ATOM 490 CG TYR A 38 -8.817 26.623 -6.477 1.00 0.00 C ATOM 491 CD1 TYR A 38 -8.877 28.024 -6.346 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.033 26.062 -7.501 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.175 28.855 -7.232 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.326 26.894 -8.384 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.402 28.289 -8.258 1.00 0.00 C ATOM 496 OH TYR A 38 -6.725 29.095 -9.126 1.00 0.00 O ATOM 0 H TYR A 38 -11.910 27.134 -4.615 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.200 25.372 -6.896 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.468 26.078 -4.509 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.198 24.716 -5.578 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.469 28.463 -5.556 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.975 24.989 -7.608 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.229 29.928 -7.125 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.720 26.457 -9.164 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.239 28.543 -9.774 1.00 0.00 H new ATOM 506 N PRO A 39 -12.122 23.472 -5.460 1.00 0.00 N ATOM 507 CA PRO A 39 -11.714 22.916 -6.752 1.00 0.00 C ATOM 508 C PRO A 39 -12.408 23.534 -7.974 1.00 0.00 C ATOM 509 O PRO A 39 -13.577 23.908 -7.901 1.00 0.00 O ATOM 510 CB PRO A 39 -11.980 21.420 -6.627 1.00 0.00 C ATOM 511 CG PRO A 39 -13.189 21.396 -5.682 1.00 0.00 C ATOM 512 CD PRO A 39 -12.860 22.496 -4.691 1.00 0.00 C ATOM 0 HA PRO A 39 -10.667 23.146 -6.947 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.205 20.962 -7.590 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.125 20.886 -6.212 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.121 21.594 -6.212 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.300 20.429 -5.191 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.765 22.929 -4.265 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.267 22.116 -3.859 1.00 0.00 H new ATOM 520 N HIS A 40 -11.657 23.630 -9.088 1.00 0.00 N ATOM 521 CA HIS A 40 -12.096 24.230 -10.345 1.00 0.00 C ATOM 522 C HIS A 40 -11.824 23.391 -11.590 1.00 0.00 C ATOM 523 O HIS A 40 -10.768 22.779 -11.718 1.00 0.00 O ATOM 524 CB HIS A 40 -11.369 25.575 -10.516 1.00 0.00 C ATOM 525 CG HIS A 40 -12.292 26.752 -10.508 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.093 27.860 -11.314 1.00 0.00 N ATOM 527 CD2 HIS A 40 -13.424 27.015 -9.784 1.00 0.00 C ATOM 528 CE1 HIS A 40 -13.093 28.716 -11.052 1.00 0.00 C ATOM 529 NE2 HIS A 40 -13.951 28.252 -10.140 1.00 0.00 N ATOM 0 H HIS A 40 -10.700 23.279 -9.131 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.179 24.328 -10.269 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.638 25.690 -9.715 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.814 25.564 -11.454 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -13.848 26.355 -9.041 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.193 29.680 -11.529 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -14.796 28.700 -9.787 1.00 0.00 H new ATOM 537 N THR A 41 -12.798 23.393 -12.511 1.00 0.00 N ATOM 538 CA THR A 41 -12.802 22.713 -13.779 1.00 0.00 C ATOM 539 C THR A 41 -11.604 23.142 -14.621 1.00 0.00 C ATOM 540 O THR A 41 -11.468 24.329 -14.919 1.00 0.00 O ATOM 541 CB THR A 41 -14.131 23.082 -14.452 1.00 0.00 C ATOM 542 OG1 THR A 41 -15.221 22.801 -13.594 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.309 22.267 -15.717 1.00 0.00 C ATOM 0 H THR A 41 -13.661 23.915 -12.361 1.00 0.00 H new ATOM 0 HA THR A 41 -12.717 21.633 -13.660 1.00 0.00 H new ATOM 0 HB THR A 41 -14.107 24.147 -14.681 1.00 0.00 H new ATOM 0 HG1 THR A 41 -16.059 23.044 -14.040 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.254 22.533 -16.191 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.488 22.476 -16.403 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.314 21.206 -15.468 1.00 0.00 H new ATOM 551 N TYR A 42 -10.732 22.192 -14.996 1.00 0.00 N ATOM 552 CA TYR A 42 -9.581 22.514 -15.823 1.00 0.00 C ATOM 553 C TYR A 42 -10.088 22.620 -17.261 1.00 0.00 C ATOM 554 O TYR A 42 -10.287 21.607 -17.931 1.00 0.00 O ATOM 555 CB TYR A 42 -8.467 21.462 -15.698 1.00 0.00 C ATOM 556 CG TYR A 42 -7.301 21.760 -16.621 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.324 22.704 -16.252 1.00 0.00 C ATOM 558 CD2 TYR A 42 -7.204 21.099 -17.857 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.251 22.981 -17.120 1.00 0.00 C ATOM 560 CE2 TYR A 42 -6.142 21.390 -18.732 1.00 0.00 C ATOM 561 CZ TYR A 42 -5.166 22.334 -18.365 1.00 0.00 C ATOM 562 OH TYR A 42 -4.132 22.614 -19.211 1.00 0.00 O ATOM 0 H TYR A 42 -10.809 21.208 -14.738 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.133 23.453 -15.497 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.114 21.428 -14.667 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.871 20.476 -15.930 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.398 23.215 -15.304 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.946 20.366 -18.136 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.492 23.692 -16.829 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.076 20.888 -19.686 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.223 22.080 -20.027 1.00 0.00 H new ATOM 572 N ASN A 43 -10.307 23.857 -17.717 1.00 0.00 N ATOM 573 CA ASN A 43 -10.773 24.168 -19.059 1.00 0.00 C ATOM 574 C ASN A 43 -10.023 25.410 -19.536 1.00 0.00 C ATOM 575 O ASN A 43 -10.617 26.454 -19.799 1.00 0.00 O ATOM 576 CB ASN A 43 -12.300 24.334 -19.051 1.00 0.00 C ATOM 577 CG ASN A 43 -12.871 24.529 -20.456 1.00 0.00 C ATOM 578 OD1 ASN A 43 -13.397 25.594 -20.773 1.00 0.00 O ATOM 579 ND2 ASN A 43 -12.776 23.497 -21.299 1.00 0.00 N ATOM 0 H ASN A 43 -10.159 24.687 -17.143 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.565 23.361 -19.761 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.756 23.455 -18.595 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.567 25.190 -18.431 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.148 23.576 -22.246 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.332 22.630 -20.996 1.00 0.00 H new ATOM 586 N ASN A 44 -8.696 25.271 -19.626 1.00 0.00 N ATOM 587 CA ASN A 44 -7.769 26.312 -20.047 1.00 0.00 C ATOM 588 C ASN A 44 -7.285 26.010 -21.464 1.00 0.00 C ATOM 589 O ASN A 44 -7.712 25.030 -22.075 1.00 0.00 O ATOM 590 CB ASN A 44 -6.598 26.354 -19.054 1.00 0.00 C ATOM 591 CG ASN A 44 -7.088 26.566 -17.622 1.00 0.00 C ATOM 592 OD1 ASN A 44 -6.996 25.666 -16.790 1.00 0.00 O ATOM 593 ND2 ASN A 44 -7.618 27.758 -17.336 1.00 0.00 N ATOM 0 H ASN A 44 -8.226 24.395 -19.398 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.256 27.287 -20.056 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.035 25.422 -19.113 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.915 27.157 -19.329 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.966 27.949 -16.396 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.675 28.477 -18.057 1.00 0.00 H new ATOM 600 N TYR A 45 -6.399 26.863 -21.993 1.00 0.00 N ATOM 601 CA TYR A 45 -5.831 26.696 -23.321 1.00 0.00 C ATOM 602 C TYR A 45 -4.933 25.460 -23.300 1.00 0.00 C ATOM 603 O TYR A 45 -3.819 25.514 -22.782 1.00 0.00 O ATOM 604 CB TYR A 45 -5.047 27.953 -23.718 1.00 0.00 C ATOM 605 CG TYR A 45 -5.917 29.183 -23.891 1.00 0.00 C ATOM 606 CD1 TYR A 45 -6.638 29.367 -25.085 1.00 0.00 C ATOM 607 CD2 TYR A 45 -6.015 30.137 -22.860 1.00 0.00 C ATOM 608 CE1 TYR A 45 -7.439 30.509 -25.257 1.00 0.00 C ATOM 609 CE2 TYR A 45 -6.818 31.277 -23.031 1.00 0.00 C ATOM 610 CZ TYR A 45 -7.530 31.466 -24.230 1.00 0.00 C ATOM 611 OH TYR A 45 -8.301 32.579 -24.396 1.00 0.00 O ATOM 0 H TYR A 45 -6.059 27.690 -21.503 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.617 26.557 -24.063 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.293 28.156 -22.957 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.516 27.760 -24.650 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.576 28.629 -25.871 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.473 29.992 -21.937 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.985 30.652 -26.178 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.889 32.010 -22.241 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.252 33.134 -23.590 1.00 0.00 H new ATOM 621 N GLU A 46 -5.432 24.347 -23.856 1.00 0.00 N ATOM 622 CA GLU A 46 -4.717 23.081 -23.903 1.00 0.00 C ATOM 623 C GLU A 46 -3.379 23.220 -24.628 1.00 0.00 C ATOM 624 O GLU A 46 -3.259 23.981 -25.590 1.00 0.00 O ATOM 625 CB GLU A 46 -5.602 21.982 -24.505 1.00 0.00 C ATOM 626 CG GLU A 46 -5.899 22.189 -25.995 1.00 0.00 C ATOM 627 CD GLU A 46 -6.919 21.169 -26.489 1.00 0.00 C ATOM 628 OE1 GLU A 46 -8.127 21.477 -26.386 1.00 0.00 O ATOM 629 OE2 GLU A 46 -6.476 20.096 -26.955 1.00 0.00 O ATOM 0 H GLU A 46 -6.355 24.309 -24.289 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.481 22.781 -22.882 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.113 21.017 -24.370 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.543 21.942 -23.956 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.278 23.198 -26.158 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.978 22.097 -26.571 1.00 0.00 H new ATOM 636 N GLY A 47 -2.379 22.479 -24.143 1.00 0.00 N ATOM 637 CA GLY A 47 -1.021 22.467 -24.657 1.00 0.00 C ATOM 638 C GLY A 47 -0.080 22.740 -23.494 1.00 0.00 C ATOM 639 O GLY A 47 0.547 23.797 -23.431 1.00 0.00 O ATOM 0 H GLY A 47 -2.506 21.849 -23.351 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.794 21.504 -25.114 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.899 23.224 -25.432 1.00 0.00 H new ATOM 643 N PHE A 48 -0.002 21.774 -22.569 1.00 0.00 N ATOM 644 CA PHE A 48 0.829 21.839 -21.379 1.00 0.00 C ATOM 645 C PHE A 48 0.999 20.431 -20.802 1.00 0.00 C ATOM 646 O PHE A 48 0.370 19.483 -21.272 1.00 0.00 O ATOM 647 CB PHE A 48 0.188 22.787 -20.349 1.00 0.00 C ATOM 648 CG PHE A 48 1.141 23.250 -19.267 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.132 24.201 -19.571 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.047 22.728 -17.964 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.026 24.631 -18.576 1.00 0.00 C ATOM 652 CE2 PHE A 48 1.944 23.153 -16.973 1.00 0.00 C ATOM 653 CZ PHE A 48 2.937 24.099 -17.277 1.00 0.00 C ATOM 0 H PHE A 48 -0.533 20.906 -22.638 1.00 0.00 H new ATOM 0 HA PHE A 48 1.814 22.230 -21.634 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.208 23.659 -20.869 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.659 22.283 -19.883 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.206 24.601 -20.571 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.285 22.001 -17.727 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.780 25.369 -18.808 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.871 22.752 -15.973 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.632 24.418 -16.514 1.00 0.00 H new ATOM 663 N ASP A 49 1.859 20.304 -19.784 1.00 0.00 N ATOM 664 CA ASP A 49 2.139 19.055 -19.089 1.00 0.00 C ATOM 665 C ASP A 49 0.869 18.480 -18.450 1.00 0.00 C ATOM 666 O ASP A 49 -0.122 19.190 -18.272 1.00 0.00 O ATOM 667 CB ASP A 49 3.209 19.304 -18.014 1.00 0.00 C ATOM 668 CG ASP A 49 4.504 19.866 -18.594 1.00 0.00 C ATOM 669 OD1 ASP A 49 5.011 19.244 -19.552 1.00 0.00 O ATOM 670 OD2 ASP A 49 4.963 20.905 -18.071 1.00 0.00 O ATOM 0 H ASP A 49 2.391 21.093 -19.416 1.00 0.00 H new ATOM 0 HA ASP A 49 2.506 18.326 -19.812 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.817 19.998 -17.270 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.423 18.369 -17.496 1.00 0.00 H new ATOM 675 N PHE A 50 0.925 17.186 -18.101 1.00 0.00 N ATOM 676 CA PHE A 50 -0.152 16.408 -17.491 1.00 0.00 C ATOM 677 C PHE A 50 -1.520 16.640 -18.160 1.00 0.00 C ATOM 678 O PHE A 50 -2.490 16.959 -17.478 1.00 0.00 O ATOM 679 CB PHE A 50 -0.153 16.610 -15.959 1.00 0.00 C ATOM 680 CG PHE A 50 -0.310 18.045 -15.480 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.827 18.861 -15.343 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.578 18.570 -15.164 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.699 20.195 -14.922 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.708 19.903 -14.745 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.572 20.720 -14.636 1.00 0.00 C ATOM 0 H PHE A 50 1.768 16.630 -18.246 1.00 0.00 H new ATOM 0 HA PHE A 50 0.045 15.352 -17.673 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.961 16.015 -15.534 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.780 16.213 -15.559 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.805 18.459 -15.563 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.454 17.944 -15.244 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.577 20.816 -14.818 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.683 20.301 -14.506 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.675 21.751 -14.333 1.00 0.00 H new ATOM 695 N PRO A 51 -1.640 16.476 -19.490 1.00 0.00 N ATOM 696 CA PRO A 51 -2.894 16.692 -20.197 1.00 0.00 C ATOM 697 C PRO A 51 -3.928 15.632 -19.808 1.00 0.00 C ATOM 698 O PRO A 51 -5.065 15.978 -19.498 1.00 0.00 O ATOM 699 CB PRO A 51 -2.543 16.650 -21.687 1.00 0.00 C ATOM 700 CG PRO A 51 -1.300 15.762 -21.742 1.00 0.00 C ATOM 701 CD PRO A 51 -0.597 16.059 -20.416 1.00 0.00 C ATOM 0 HA PRO A 51 -3.351 17.648 -19.940 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -3.358 16.234 -22.279 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.341 17.647 -22.079 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.562 14.708 -21.831 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.668 16.007 -22.596 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.077 15.176 -20.045 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.151 16.842 -20.539 1.00 0.00 H new ATOM 709 N VAL A 52 -3.526 14.352 -19.816 1.00 0.00 N ATOM 710 CA VAL A 52 -4.353 13.197 -19.488 1.00 0.00 C ATOM 711 C VAL A 52 -5.581 13.153 -20.407 1.00 0.00 C ATOM 712 O VAL A 52 -5.464 12.722 -21.552 1.00 0.00 O ATOM 713 CB VAL A 52 -4.657 13.139 -17.972 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.439 11.864 -17.611 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.357 13.146 -17.155 1.00 0.00 C ATOM 0 H VAL A 52 -2.572 14.090 -20.063 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.807 12.274 -19.686 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.255 14.019 -17.734 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.638 11.851 -16.539 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.383 11.850 -18.156 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.850 10.987 -17.882 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.595 13.105 -16.092 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.753 12.280 -17.425 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.799 14.058 -17.367 1.00 0.00 H new ATOM 725 N ASP A 53 -6.741 13.603 -19.912 1.00 0.00 N ATOM 726 CA ASP A 53 -8.023 13.639 -20.606 1.00 0.00 C ATOM 727 C ASP A 53 -9.084 14.201 -19.660 1.00 0.00 C ATOM 728 O ASP A 53 -9.875 15.055 -20.055 1.00 0.00 O ATOM 729 CB ASP A 53 -8.435 12.261 -21.156 1.00 0.00 C ATOM 730 CG ASP A 53 -8.294 11.122 -20.145 1.00 0.00 C ATOM 731 OD1 ASP A 53 -9.257 10.913 -19.377 1.00 0.00 O ATOM 732 OD2 ASP A 53 -7.226 10.473 -20.163 1.00 0.00 O ATOM 0 H ASP A 53 -6.808 13.971 -18.963 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.926 14.289 -21.475 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.471 12.310 -21.491 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.827 12.034 -22.032 1.00 0.00 H new ATOM 737 N GLY A 54 -9.097 13.717 -18.411 1.00 0.00 N ATOM 738 CA GLY A 54 -10.025 14.154 -17.387 1.00 0.00 C ATOM 739 C GLY A 54 -11.393 13.480 -17.515 1.00 0.00 C ATOM 740 O GLY A 54 -11.495 12.421 -18.132 1.00 0.00 O ATOM 0 H GLY A 54 -8.448 12.999 -18.089 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.606 13.937 -16.404 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.148 15.235 -17.449 1.00 0.00 H new ATOM 744 N PRO A 55 -12.455 14.075 -16.942 1.00 0.00 N ATOM 745 CA PRO A 55 -12.470 15.341 -16.215 1.00 0.00 C ATOM 746 C PRO A 55 -11.421 15.417 -15.105 1.00 0.00 C ATOM 747 O PRO A 55 -11.311 14.496 -14.297 1.00 0.00 O ATOM 748 CB PRO A 55 -13.881 15.465 -15.630 1.00 0.00 C ATOM 749 CG PRO A 55 -14.735 14.647 -16.595 1.00 0.00 C ATOM 750 CD PRO A 55 -13.793 13.512 -16.994 1.00 0.00 C ATOM 0 HA PRO A 55 -12.221 16.158 -16.892 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.932 15.071 -14.615 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -14.208 16.504 -15.585 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -15.641 14.273 -16.118 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -15.049 15.235 -17.457 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.889 12.666 -16.313 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.024 13.144 -17.994 1.00 0.00 H new ATOM 758 N TYR A 56 -10.648 16.513 -15.088 1.00 0.00 N ATOM 759 CA TYR A 56 -9.610 16.757 -14.098 1.00 0.00 C ATOM 760 C TYR A 56 -9.719 18.193 -13.592 1.00 0.00 C ATOM 761 O TYR A 56 -10.023 19.089 -14.377 1.00 0.00 O ATOM 762 CB TYR A 56 -8.254 16.262 -14.621 1.00 0.00 C ATOM 763 CG TYR A 56 -7.306 17.086 -15.462 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.438 17.158 -16.860 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.264 17.776 -14.822 1.00 0.00 C ATOM 766 CE1 TYR A 56 -6.514 17.905 -17.612 1.00 0.00 C ATOM 767 CE2 TYR A 56 -5.346 18.525 -15.570 1.00 0.00 C ATOM 768 CZ TYR A 56 -5.458 18.577 -16.967 1.00 0.00 C ATOM 769 OH TYR A 56 -4.544 19.289 -17.685 1.00 0.00 O ATOM 0 H TYR A 56 -10.735 17.261 -15.776 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.739 16.165 -13.192 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.687 15.953 -13.743 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.464 15.362 -15.198 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -8.247 16.641 -17.355 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.170 17.729 -13.747 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.614 17.963 -18.686 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.553 19.062 -15.071 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.905 20.178 -17.885 1.00 0.00 H new ATOM 779 N GLN A 57 -9.485 18.409 -12.286 1.00 0.00 N ATOM 780 CA GLN A 57 -9.609 19.722 -11.659 1.00 0.00 C ATOM 781 C GLN A 57 -8.439 20.137 -10.774 1.00 0.00 C ATOM 782 O GLN A 57 -7.605 19.327 -10.373 1.00 0.00 O ATOM 783 CB GLN A 57 -10.926 19.771 -10.867 1.00 0.00 C ATOM 784 CG GLN A 57 -12.108 19.569 -11.826 1.00 0.00 C ATOM 785 CD GLN A 57 -13.396 20.283 -11.415 1.00 0.00 C ATOM 786 OE1 GLN A 57 -13.417 21.090 -10.487 1.00 0.00 O ATOM 787 NE2 GLN A 57 -14.485 19.988 -12.127 1.00 0.00 N ATOM 0 H GLN A 57 -9.204 17.671 -11.640 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.604 20.448 -12.472 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.930 18.997 -10.100 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.019 20.729 -10.355 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.817 19.916 -12.817 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.312 18.501 -11.910 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.428 19.313 -12.890 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.374 20.437 -11.909 1.00 0.00 H new ATOM 796 N GLU A 58 -8.428 21.443 -10.478 1.00 0.00 N ATOM 797 CA GLU A 58 -7.442 22.148 -9.680 1.00 0.00 C ATOM 798 C GLU A 58 -7.675 21.960 -8.184 1.00 0.00 C ATOM 799 O GLU A 58 -8.796 21.715 -7.748 1.00 0.00 O ATOM 800 CB GLU A 58 -7.510 23.645 -10.009 1.00 0.00 C ATOM 801 CG GLU A 58 -7.200 23.948 -11.483 1.00 0.00 C ATOM 802 CD GLU A 58 -7.334 25.438 -11.782 1.00 0.00 C ATOM 803 OE1 GLU A 58 -8.480 25.870 -12.032 1.00 0.00 O ATOM 804 OE2 GLU A 58 -6.288 26.123 -11.760 1.00 0.00 O ATOM 0 H GLU A 58 -9.160 22.068 -10.816 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.462 21.738 -9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.505 24.020 -9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.804 24.183 -9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.189 23.617 -11.720 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.878 23.384 -12.123 1.00 0.00 H new ATOM 811 N PHE A 59 -6.588 22.068 -7.415 1.00 0.00 N ATOM 812 CA PHE A 59 -6.578 21.953 -5.969 1.00 0.00 C ATOM 813 C PHE A 59 -5.286 22.618 -5.512 1.00 0.00 C ATOM 814 O PHE A 59 -4.219 22.037 -5.677 1.00 0.00 O ATOM 815 CB PHE A 59 -6.625 20.486 -5.552 1.00 0.00 C ATOM 816 CG PHE A 59 -6.701 20.303 -4.053 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.807 20.809 -3.348 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.680 19.631 -3.355 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.881 20.629 -1.960 1.00 0.00 C ATOM 820 CE2 PHE A 59 -5.794 19.452 -1.968 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.892 19.945 -1.271 1.00 0.00 C ATOM 0 H PHE A 59 -5.662 22.244 -7.804 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.446 22.430 -5.515 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.489 20.009 -6.015 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.739 19.977 -5.931 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.593 21.332 -3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.816 19.256 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.724 21.031 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.018 18.924 -1.434 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.973 19.796 -0.204 1.00 0.00 H new ATOM 831 N PRO A 60 -5.317 23.814 -4.919 1.00 0.00 N ATOM 832 CA PRO A 60 -4.090 24.473 -4.549 1.00 0.00 C ATOM 833 C PRO A 60 -3.388 23.714 -3.424 1.00 0.00 C ATOM 834 O PRO A 60 -4.050 23.205 -2.519 1.00 0.00 O ATOM 835 CB PRO A 60 -4.500 25.907 -4.271 1.00 0.00 C ATOM 836 CG PRO A 60 -5.908 25.758 -3.697 1.00 0.00 C ATOM 837 CD PRO A 60 -6.467 24.603 -4.530 1.00 0.00 C ATOM 0 HA PRO A 60 -3.320 24.483 -5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.825 26.390 -3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.496 26.511 -5.178 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.893 25.524 -2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.496 26.668 -3.815 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.174 24.008 -3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.003 24.973 -5.404 1.00 0.00 H new ATOM 845 N ILE A 61 -2.048 23.644 -3.472 1.00 0.00 N ATOM 846 CA ILE A 61 -1.288 22.901 -2.477 1.00 0.00 C ATOM 847 C ILE A 61 -0.905 23.762 -1.302 1.00 0.00 C ATOM 848 O ILE A 61 -1.622 24.664 -0.871 1.00 0.00 O ATOM 849 CB ILE A 61 -0.125 22.096 -3.077 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.174 20.800 -2.284 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.038 22.902 -3.655 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.646 20.543 -2.029 1.00 0.00 C ATOM 0 H ILE A 61 -1.479 24.094 -4.189 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.956 22.139 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.483 21.707 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.344 20.848 -1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.241 19.952 -2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.793 22.221 -4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.674 23.541 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.478 23.519 -2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.762 19.615 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.171 20.460 -2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.065 21.369 -1.455 1.00 0.00 H new ATOM 864 N LYS A 62 0.278 23.426 -0.824 1.00 0.00 N ATOM 865 CA LYS A 62 0.906 24.056 0.313 1.00 0.00 C ATOM 866 C LYS A 62 1.558 25.384 -0.075 1.00 0.00 C ATOM 867 O LYS A 62 2.005 25.604 -1.199 1.00 0.00 O ATOM 868 CB LYS A 62 1.809 23.084 1.094 1.00 0.00 C ATOM 869 CG LYS A 62 2.427 23.755 2.333 1.00 0.00 C ATOM 870 CD LYS A 62 3.071 22.787 3.332 1.00 0.00 C ATOM 871 CE LYS A 62 4.274 22.054 2.735 1.00 0.00 C ATOM 872 NZ LYS A 62 5.099 21.443 3.790 1.00 0.00 N ATOM 0 H LYS A 62 0.844 22.682 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 62 0.130 24.324 1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.228 22.215 1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.603 22.721 0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.181 24.470 2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.651 24.323 2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.387 23.339 4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.329 22.058 3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.929 21.283 2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.878 22.752 2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.726 20.727 3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.673 22.178 4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.482 20.992 4.495 1.00 0.00 H new ATOM 886 N SER A 63 1.554 26.250 0.933 1.00 0.00 N ATOM 887 CA SER A 63 2.073 27.602 1.058 1.00 0.00 C ATOM 888 C SER A 63 1.497 28.089 2.397 1.00 0.00 C ATOM 889 O SER A 63 0.938 29.179 2.501 1.00 0.00 O ATOM 890 CB SER A 63 1.647 28.481 -0.126 1.00 0.00 C ATOM 891 OG SER A 63 2.182 29.779 0.014 1.00 0.00 O ATOM 0 H SER A 63 1.119 25.972 1.813 1.00 0.00 H new ATOM 0 HA SER A 63 3.162 27.646 1.043 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.991 28.037 -1.060 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.559 28.532 -0.178 1.00 0.00 H new ATOM 0 HG SER A 63 1.464 30.440 -0.076 1.00 0.00 H new ATOM 897 N GLY A 64 1.648 27.232 3.417 1.00 0.00 N ATOM 898 CA GLY A 64 1.170 27.381 4.780 1.00 0.00 C ATOM 899 C GLY A 64 0.519 26.042 5.148 1.00 0.00 C ATOM 900 O GLY A 64 0.770 25.506 6.225 1.00 0.00 O ATOM 0 H GLY A 64 2.148 26.352 3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.991 27.615 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.452 28.198 4.855 1.00 0.00 H new ATOM 904 N GLY A 65 -0.316 25.508 4.239 1.00 0.00 N ATOM 905 CA GLY A 65 -1.003 24.233 4.400 1.00 0.00 C ATOM 906 C GLY A 65 -2.089 24.036 3.339 1.00 0.00 C ATOM 907 O GLY A 65 -2.476 24.984 2.654 1.00 0.00 O ATOM 0 H GLY A 65 -0.531 25.969 3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.280 23.420 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.451 24.184 5.392 1.00 0.00 H new ATOM 911 N VAL A 66 -2.569 22.789 3.200 1.00 0.00 N ATOM 912 CA VAL A 66 -3.628 22.415 2.263 1.00 0.00 C ATOM 913 C VAL A 66 -4.956 22.927 2.834 1.00 0.00 C ATOM 914 O VAL A 66 -5.230 22.707 4.014 1.00 0.00 O ATOM 915 CB VAL A 66 -3.635 20.886 2.001 1.00 0.00 C ATOM 916 CG1 VAL A 66 -3.766 20.020 3.264 1.00 0.00 C ATOM 917 CG2 VAL A 66 -4.763 20.489 1.031 1.00 0.00 C ATOM 0 H VAL A 66 -2.222 22.002 3.748 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.459 22.872 1.288 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.655 20.688 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.762 18.966 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.929 20.222 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.701 20.257 3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.741 19.411 0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.726 20.772 1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.623 21.003 0.080 1.00 0.00 H new ATOM 927 N TYR A 67 -5.765 23.614 2.011 1.00 0.00 N ATOM 928 CA TYR A 67 -7.057 24.182 2.396 1.00 0.00 C ATOM 929 C TYR A 67 -6.899 25.145 3.579 1.00 0.00 C ATOM 930 O TYR A 67 -7.113 24.758 4.728 1.00 0.00 O ATOM 931 CB TYR A 67 -8.077 23.056 2.661 1.00 0.00 C ATOM 932 CG TYR A 67 -9.411 23.493 3.250 1.00 0.00 C ATOM 933 CD1 TYR A 67 -10.117 24.581 2.702 1.00 0.00 C ATOM 934 CD2 TYR A 67 -9.941 22.810 4.361 1.00 0.00 C ATOM 935 CE1 TYR A 67 -11.344 24.981 3.266 1.00 0.00 C ATOM 936 CE2 TYR A 67 -11.168 23.209 4.921 1.00 0.00 C ATOM 937 CZ TYR A 67 -11.870 24.296 4.375 1.00 0.00 C ATOM 938 OH TYR A 67 -13.064 24.676 4.915 1.00 0.00 O ATOM 0 H TYR A 67 -5.528 23.792 1.035 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.451 24.777 1.572 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.269 22.537 1.722 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.623 22.332 3.338 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.717 25.109 1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.403 21.975 4.785 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -11.883 25.817 2.845 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -11.571 22.679 5.772 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.279 24.095 5.674 1.00 0.00 H new ATOM 948 N THR A 68 -6.529 26.402 3.290 1.00 0.00 N ATOM 949 CA THR A 68 -6.311 27.449 4.285 1.00 0.00 C ATOM 950 C THR A 68 -7.030 28.746 3.910 1.00 0.00 C ATOM 951 O THR A 68 -7.721 29.325 4.746 1.00 0.00 O ATOM 952 CB THR A 68 -4.804 27.697 4.467 1.00 0.00 C ATOM 953 OG1 THR A 68 -4.167 27.926 3.224 1.00 0.00 O ATOM 954 CG2 THR A 68 -4.136 26.511 5.170 1.00 0.00 C ATOM 0 H THR A 68 -6.371 26.720 2.334 1.00 0.00 H new ATOM 0 HA THR A 68 -6.733 27.107 5.230 1.00 0.00 H new ATOM 0 HB THR A 68 -4.696 28.588 5.086 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.211 28.082 3.370 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.071 26.710 5.287 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.588 26.368 6.151 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.273 25.610 4.572 1.00 0.00 H new ATOM 962 N GLY A 69 -6.871 29.201 2.662 1.00 0.00 N ATOM 963 CA GLY A 69 -7.471 30.432 2.170 1.00 0.00 C ATOM 964 C GLY A 69 -6.547 31.606 2.466 1.00 0.00 C ATOM 965 O GLY A 69 -6.965 32.604 3.049 1.00 0.00 O ATOM 0 H GLY A 69 -6.313 28.713 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.649 30.358 1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.440 30.591 2.644 1.00 0.00 H new ATOM 969 N GLY A 70 -5.281 31.463 2.063 1.00 0.00 N ATOM 970 CA GLY A 70 -4.244 32.464 2.238 1.00 0.00 C ATOM 971 C GLY A 70 -2.924 31.925 1.694 1.00 0.00 C ATOM 972 O GLY A 70 -1.895 32.010 2.361 1.00 0.00 O ATOM 0 H GLY A 70 -4.948 30.621 1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.517 33.382 1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.140 32.715 3.294 1.00 0.00 H new ATOM 976 N SER A 71 -2.970 31.363 0.480 1.00 0.00 N ATOM 977 CA SER A 71 -1.821 30.803 -0.208 1.00 0.00 C ATOM 978 C SER A 71 -0.842 31.905 -0.646 1.00 0.00 C ATOM 979 O SER A 71 0.304 31.868 -0.203 1.00 0.00 O ATOM 980 CB SER A 71 -2.291 29.859 -1.321 1.00 0.00 C ATOM 981 OG SER A 71 -1.222 29.536 -2.178 1.00 0.00 O ATOM 0 H SER A 71 -3.834 31.288 -0.057 1.00 0.00 H new ATOM 0 HA SER A 71 -1.236 30.185 0.473 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.702 28.949 -0.884 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.092 30.330 -1.891 1.00 0.00 H new ATOM 0 HG SER A 71 -0.954 28.605 -2.031 1.00 0.00 H new ATOM 987 N PRO A 72 -1.220 32.894 -1.479 1.00 0.00 N ATOM 988 CA PRO A 72 -2.482 33.062 -2.196 1.00 0.00 C ATOM 989 C PRO A 72 -2.524 32.250 -3.494 1.00 0.00 C ATOM 990 O PRO A 72 -3.606 31.886 -3.953 1.00 0.00 O ATOM 991 CB PRO A 72 -2.546 34.555 -2.520 1.00 0.00 C ATOM 992 CG PRO A 72 -1.082 34.921 -2.752 1.00 0.00 C ATOM 993 CD PRO A 72 -0.337 34.016 -1.771 1.00 0.00 C ATOM 0 HA PRO A 72 -3.321 32.712 -1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.155 34.750 -3.402 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.980 35.127 -1.700 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.779 34.734 -3.782 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.893 35.975 -2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.601 33.667 -2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.086 34.558 -0.859 1.00 0.00 H new ATOM 1001 N GLY A 73 -1.356 31.965 -4.084 1.00 0.00 N ATOM 1002 CA GLY A 73 -1.245 31.214 -5.319 1.00 0.00 C ATOM 1003 C GLY A 73 0.222 30.944 -5.644 1.00 0.00 C ATOM 1004 O GLY A 73 1.082 31.023 -4.769 1.00 0.00 O ATOM 0 H GLY A 73 -0.456 32.258 -3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.784 30.271 -5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.709 31.770 -6.134 1.00 0.00 H new ATOM 1008 N ALA A 74 0.482 30.633 -6.918 1.00 0.00 N ATOM 1009 CA ALA A 74 1.787 30.311 -7.479 1.00 0.00 C ATOM 1010 C ALA A 74 2.317 28.971 -6.981 1.00 0.00 C ATOM 1011 O ALA A 74 3.525 28.753 -7.015 1.00 0.00 O ATOM 1012 CB ALA A 74 2.838 31.405 -7.217 1.00 0.00 C ATOM 0 H ALA A 74 -0.257 30.599 -7.620 1.00 0.00 H new ATOM 0 HA ALA A 74 1.623 30.247 -8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.790 31.109 -7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.507 32.342 -7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.963 31.540 -6.143 1.00 0.00 H new ATOM 1018 N ASP A 75 1.435 28.085 -6.508 1.00 0.00 N ATOM 1019 CA ASP A 75 1.767 26.766 -6.016 1.00 0.00 C ATOM 1020 C ASP A 75 0.471 25.949 -5.944 1.00 0.00 C ATOM 1021 O ASP A 75 -0.223 25.964 -4.924 1.00 0.00 O ATOM 1022 CB ASP A 75 2.441 26.901 -4.642 1.00 0.00 C ATOM 1023 CG ASP A 75 2.034 28.142 -3.848 1.00 0.00 C ATOM 1024 OD1 ASP A 75 0.842 28.214 -3.479 1.00 0.00 O ATOM 1025 OD2 ASP A 75 2.922 28.993 -3.622 1.00 0.00 O ATOM 0 H ASP A 75 0.436 28.285 -6.460 1.00 0.00 H new ATOM 0 HA ASP A 75 2.466 26.253 -6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.208 26.016 -4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.522 26.915 -4.783 1.00 0.00 H new ATOM 1030 N ARG A 76 0.145 25.221 -7.023 1.00 0.00 N ATOM 1031 CA ARG A 76 -1.080 24.435 -7.081 1.00 0.00 C ATOM 1032 C ARG A 76 -0.910 23.057 -7.709 1.00 0.00 C ATOM 1033 O ARG A 76 -0.274 22.937 -8.753 1.00 0.00 O ATOM 1034 CB ARG A 76 -2.144 25.216 -7.871 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.392 26.613 -7.285 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.688 27.226 -7.821 1.00 0.00 C ATOM 1037 NE ARG A 76 -4.000 28.463 -7.089 1.00 0.00 N ATOM 1038 CZ ARG A 76 -4.035 29.713 -7.580 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -3.812 29.971 -8.877 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.308 30.728 -6.748 1.00 0.00 N ATOM 0 H ARG A 76 0.719 25.166 -7.864 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.384 24.268 -6.048 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.826 25.311 -8.909 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.078 24.654 -7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.441 26.549 -6.198 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.553 27.265 -7.528 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.586 27.439 -8.885 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.507 26.515 -7.715 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.214 28.360 -6.097 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.609 29.207 -9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.846 30.931 -9.219 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.485 30.544 -5.760 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.339 31.684 -7.103 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.478 22.024 -7.063 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.458 20.655 -7.567 1.00 0.00 C ATOM 1056 C VAL A 77 -2.767 20.514 -8.340 1.00 0.00 C ATOM 1057 O VAL A 77 -3.740 21.208 -8.051 1.00 0.00 O ATOM 1058 CB VAL A 77 -1.327 19.573 -6.476 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.082 19.537 -5.877 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.381 19.662 -5.369 1.00 0.00 C ATOM 0 H VAL A 77 -1.965 22.124 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.573 20.493 -8.182 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.514 18.633 -6.995 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.133 18.762 -5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.806 19.320 -6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.312 20.504 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.216 18.865 -4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.304 20.628 -4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.375 19.557 -5.804 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.823 19.636 -9.338 1.00 0.00 N ATOM 1071 CA VAL A 78 -4.030 19.470 -10.129 1.00 0.00 C ATOM 1072 C VAL A 78 -4.197 17.958 -10.329 1.00 0.00 C ATOM 1073 O VAL A 78 -3.310 17.316 -10.888 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.860 20.346 -11.388 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -5.083 20.275 -12.303 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.597 21.832 -11.025 1.00 0.00 C ATOM 0 H VAL A 78 -2.048 19.033 -9.614 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.963 19.810 -9.679 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.995 19.945 -11.915 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.921 20.906 -13.177 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.238 19.245 -12.623 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.963 20.623 -11.762 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.483 22.415 -11.939 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.437 22.220 -10.449 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.686 21.906 -10.432 1.00 0.00 H new ATOM 1086 N ILE A 79 -5.328 17.399 -9.857 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.644 15.971 -9.909 1.00 0.00 C ATOM 1088 C ILE A 79 -6.776 15.617 -10.876 1.00 0.00 C ATOM 1089 O ILE A 79 -7.424 16.497 -11.436 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.952 15.442 -8.488 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.379 15.756 -7.991 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.930 15.958 -7.461 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.850 14.687 -6.999 1.00 0.00 C ATOM 0 H ILE A 79 -6.064 17.951 -9.417 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.757 15.477 -10.304 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.877 14.358 -8.576 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.397 16.736 -7.514 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.064 15.801 -8.838 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.177 15.567 -6.474 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.931 15.626 -7.743 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.957 17.047 -7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.858 14.925 -6.659 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.852 13.713 -7.488 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.175 14.662 -6.143 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.998 14.302 -11.033 1.00 0.00 N ATOM 1106 CA ASN A 80 -8.009 13.661 -11.863 1.00 0.00 C ATOM 1107 C ASN A 80 -9.170 13.233 -10.970 1.00 0.00 C ATOM 1108 O ASN A 80 -8.976 12.999 -9.775 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.405 12.448 -12.581 1.00 0.00 C ATOM 1110 CG ASN A 80 -6.276 12.846 -13.529 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -5.101 12.659 -13.218 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -6.630 13.390 -14.695 1.00 0.00 N ATOM 0 H ASN A 80 -6.427 13.614 -10.542 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.370 14.357 -12.620 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.026 11.742 -11.842 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.185 11.934 -13.142 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.914 13.668 -15.366 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.616 13.528 -14.915 1.00 0.00 H new ATOM 1119 N THR A 81 -10.374 13.116 -11.549 1.00 0.00 N ATOM 1120 CA THR A 81 -11.569 12.744 -10.801 1.00 0.00 C ATOM 1121 C THR A 81 -11.656 11.298 -10.342 1.00 0.00 C ATOM 1122 O THR A 81 -12.643 10.921 -9.713 1.00 0.00 O ATOM 1123 CB THR A 81 -12.840 13.282 -11.477 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.915 13.335 -10.559 1.00 0.00 O ATOM 1125 CG2 THR A 81 -13.228 12.392 -12.653 1.00 0.00 C ATOM 0 H THR A 81 -10.539 13.277 -12.543 1.00 0.00 H new ATOM 0 HA THR A 81 -11.474 13.254 -9.842 1.00 0.00 H new ATOM 0 HB THR A 81 -12.629 14.290 -11.834 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.855 12.577 -9.941 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.130 12.784 -13.124 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.417 12.376 -13.381 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.415 11.379 -12.296 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.637 10.488 -10.636 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.614 9.120 -10.183 1.00 0.00 C ATOM 1135 C ASN A 82 -10.000 9.307 -8.795 1.00 0.00 C ATOM 1136 O ASN A 82 -10.706 9.357 -7.795 1.00 0.00 O ATOM 1137 CB ASN A 82 -9.790 8.270 -11.165 1.00 0.00 C ATOM 1138 CG ASN A 82 -9.435 6.892 -10.611 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -10.168 6.333 -9.797 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -8.298 6.343 -11.049 1.00 0.00 N ATOM 0 H ASN A 82 -9.824 10.767 -11.186 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.563 8.586 -10.137 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.351 8.149 -12.091 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -8.872 8.802 -11.415 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -8.010 5.426 -10.707 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.719 6.841 -11.725 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.674 9.381 -8.765 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.825 9.605 -7.595 1.00 0.00 C ATOM 1149 C CYS A 83 -6.376 9.995 -7.934 1.00 0.00 C ATOM 1150 O CYS A 83 -5.602 10.294 -7.026 1.00 0.00 O ATOM 1151 CB CYS A 83 -7.887 8.433 -6.604 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.555 8.860 -4.865 1.00 0.00 S ATOM 0 H CYS A 83 -8.123 9.279 -9.617 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.249 10.479 -7.100 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.876 7.979 -6.666 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.168 7.676 -6.918 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.999 10.009 -9.223 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.643 10.257 -9.682 1.00 0.00 C ATOM 1159 C GLU A 84 -4.205 11.714 -9.716 1.00 0.00 C ATOM 1160 O GLU A 84 -4.899 12.566 -10.257 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.514 9.657 -11.092 1.00 0.00 C ATOM 1162 CG GLU A 84 -4.768 8.143 -11.111 1.00 0.00 C ATOM 1163 CD GLU A 84 -4.832 7.617 -12.542 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -3.746 7.363 -13.106 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -5.969 7.486 -13.048 1.00 0.00 O ATOM 0 H GLU A 84 -6.654 9.843 -9.987 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.983 9.791 -8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.221 10.149 -11.759 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.516 9.860 -11.480 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.975 7.631 -10.567 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.703 7.921 -10.596 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.027 11.977 -9.134 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.401 13.289 -9.093 1.00 0.00 C ATOM 1174 C TYR A 85 -1.778 13.461 -10.484 1.00 0.00 C ATOM 1175 O TYR A 85 -0.890 12.696 -10.856 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.383 13.335 -7.936 1.00 0.00 C ATOM 1177 CG TYR A 85 -0.320 14.416 -8.027 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -0.648 15.702 -8.502 1.00 0.00 C ATOM 1179 CD2 TYR A 85 1.008 14.131 -7.644 1.00 0.00 C ATOM 1180 CE1 TYR A 85 0.344 16.691 -8.595 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.997 15.120 -7.755 1.00 0.00 C ATOM 1182 CZ TYR A 85 1.669 16.393 -8.235 1.00 0.00 C ATOM 1183 OH TYR A 85 2.646 17.335 -8.337 1.00 0.00 O ATOM 0 H TYR A 85 -2.475 11.257 -8.668 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.089 14.111 -8.893 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.930 13.468 -7.003 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.885 12.367 -7.878 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.663 15.927 -8.795 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.263 13.152 -7.266 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.089 17.681 -8.943 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.015 14.898 -7.469 1.00 0.00 H new ATOM 0 HH TYR A 85 3.500 16.954 -8.044 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.232 14.470 -11.241 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.771 14.722 -12.599 1.00 0.00 C ATOM 1195 C ALA A 86 -0.424 15.445 -12.618 1.00 0.00 C ATOM 1196 O ALA A 86 0.543 14.912 -13.159 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.859 15.468 -13.386 1.00 0.00 C ATOM 0 H ALA A 86 -2.935 15.135 -10.918 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.596 13.767 -13.095 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.510 15.655 -14.402 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.764 14.862 -13.419 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.076 16.418 -12.897 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.345 16.644 -12.027 1.00 0.00 N ATOM 1204 CA GLY A 87 0.897 17.402 -11.988 1.00 0.00 C ATOM 1205 C GLY A 87 0.715 18.748 -11.293 1.00 0.00 C ATOM 1206 O GLY A 87 -0.399 19.267 -11.217 1.00 0.00 O ATOM 0 H GLY A 87 -1.132 17.105 -11.570 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.660 16.824 -11.467 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.257 17.563 -13.004 1.00 0.00 H new ATOM 1210 N ALA A 88 1.828 19.294 -10.780 1.00 0.00 N ATOM 1211 CA ALA A 88 1.873 20.562 -10.065 1.00 0.00 C ATOM 1212 C ALA A 88 2.415 21.683 -10.939 1.00 0.00 C ATOM 1213 O ALA A 88 3.152 21.444 -11.895 1.00 0.00 O ATOM 1214 CB ALA A 88 2.714 20.431 -8.792 1.00 0.00 C ATOM 0 H ALA A 88 2.742 18.848 -10.857 1.00 0.00 H new ATOM 0 HA ALA A 88 0.850 20.819 -9.791 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.736 21.388 -8.271 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.275 19.674 -8.142 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.730 20.138 -9.056 1.00 0.00 H new ATOM 1220 N ILE A 89 2.020 22.910 -10.578 1.00 0.00 N ATOM 1221 CA ILE A 89 2.410 24.147 -11.240 1.00 0.00 C ATOM 1222 C ILE A 89 2.760 25.226 -10.213 1.00 0.00 C ATOM 1223 O ILE A 89 2.435 25.090 -9.035 1.00 0.00 O ATOM 1224 CB ILE A 89 1.320 24.613 -12.222 1.00 0.00 C ATOM 1225 CG1 ILE A 89 -0.066 24.678 -11.552 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.314 23.699 -13.449 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -1.156 25.249 -12.463 1.00 0.00 C ATOM 0 H ILE A 89 1.397 23.067 -9.786 1.00 0.00 H new ATOM 0 HA ILE A 89 3.309 23.956 -11.827 1.00 0.00 H new ATOM 0 HB ILE A 89 1.551 25.629 -12.543 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.356 23.676 -11.235 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.002 25.289 -10.652 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.542 24.029 -14.145 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.287 23.742 -13.939 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.109 22.674 -13.139 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.105 25.266 -11.928 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.888 26.263 -12.759 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.251 24.625 -13.351 1.00 0.00 H new ATOM 1239 N THR A 90 3.420 26.301 -10.676 1.00 0.00 N ATOM 1240 CA THR A 90 3.853 27.408 -9.833 1.00 0.00 C ATOM 1241 C THR A 90 4.114 28.695 -10.629 1.00 0.00 C ATOM 1242 O THR A 90 4.581 28.629 -11.764 1.00 0.00 O ATOM 1243 CB THR A 90 5.137 26.978 -9.099 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.750 28.062 -8.429 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.191 26.351 -10.025 1.00 0.00 C ATOM 0 H THR A 90 3.667 26.419 -11.659 1.00 0.00 H new ATOM 0 HA THR A 90 3.052 27.636 -9.130 1.00 0.00 H new ATOM 0 HB THR A 90 4.800 26.226 -8.385 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.104 28.478 -7.820 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.068 26.072 -9.441 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.775 25.463 -10.502 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.479 27.072 -10.790 1.00 0.00 H new ATOM 1253 N HIS A 91 3.806 29.860 -10.028 1.00 0.00 N ATOM 1254 CA HIS A 91 4.038 31.178 -10.639 1.00 0.00 C ATOM 1255 C HIS A 91 5.489 31.630 -10.440 1.00 0.00 C ATOM 1256 O HIS A 91 6.064 32.253 -11.331 1.00 0.00 O ATOM 1257 CB HIS A 91 3.095 32.321 -10.182 1.00 0.00 C ATOM 1258 CG HIS A 91 1.973 32.682 -11.084 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.397 33.936 -11.175 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.289 31.896 -11.949 1.00 0.00 C ATOM 1261 CE1 HIS A 91 0.407 33.835 -12.079 1.00 0.00 C ATOM 1262 NE2 HIS A 91 0.298 32.614 -12.603 1.00 0.00 N ATOM 0 H HIS A 91 3.387 29.911 -9.099 1.00 0.00 H new ATOM 0 HA HIS A 91 3.811 31.007 -11.691 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.674 32.045 -9.215 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.700 33.214 -10.023 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.489 30.847 -12.109 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.235 34.659 -12.353 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.356 32.286 -13.314 1.00 0.00 H new ATOM 1270 N THR A 92 6.068 31.325 -9.268 1.00 0.00 N ATOM 1271 CA THR A 92 7.426 31.686 -8.875 1.00 0.00 C ATOM 1272 C THR A 92 8.455 31.319 -9.939 1.00 0.00 C ATOM 1273 O THR A 92 9.202 32.174 -10.412 1.00 0.00 O ATOM 1274 CB THR A 92 7.757 31.046 -7.515 1.00 0.00 C ATOM 1275 OG1 THR A 92 6.761 31.390 -6.575 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.119 31.513 -6.987 1.00 0.00 C ATOM 0 H THR A 92 5.578 30.799 -8.544 1.00 0.00 H new ATOM 0 HA THR A 92 7.475 32.770 -8.775 1.00 0.00 H new ATOM 0 HB THR A 92 7.793 29.966 -7.657 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.972 30.980 -5.710 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.318 31.040 -6.025 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.899 31.235 -7.696 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.110 32.596 -6.864 1.00 0.00 H new ATOM 1284 N GLY A 93 8.472 30.039 -10.311 1.00 0.00 N ATOM 1285 CA GLY A 93 9.383 29.490 -11.303 1.00 0.00 C ATOM 1286 C GLY A 93 9.171 30.092 -12.695 1.00 0.00 C ATOM 1287 O GLY A 93 10.111 30.144 -13.487 1.00 0.00 O ATOM 0 H GLY A 93 7.837 29.343 -9.920 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.410 29.670 -10.986 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.250 28.409 -11.354 1.00 0.00 H new ATOM 1291 N ALA A 94 7.948 30.554 -12.990 1.00 0.00 N ATOM 1292 CA ALA A 94 7.578 31.133 -14.272 1.00 0.00 C ATOM 1293 C ALA A 94 8.076 32.569 -14.433 1.00 0.00 C ATOM 1294 O ALA A 94 8.688 33.136 -13.529 1.00 0.00 O ATOM 1295 CB ALA A 94 6.054 31.089 -14.416 1.00 0.00 C ATOM 0 H ALA A 94 7.177 30.531 -12.323 1.00 0.00 H new ATOM 0 HA ALA A 94 8.055 30.544 -15.056 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.766 31.521 -15.374 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.714 30.055 -14.368 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.596 31.660 -13.609 1.00 0.00 H new ATOM 1301 N SER A 95 7.788 33.147 -15.605 1.00 0.00 N ATOM 1302 CA SER A 95 8.148 34.510 -15.962 1.00 0.00 C ATOM 1303 C SER A 95 7.404 35.512 -15.075 1.00 0.00 C ATOM 1304 O SER A 95 8.018 36.448 -14.565 1.00 0.00 O ATOM 1305 CB SER A 95 7.838 34.747 -17.444 1.00 0.00 C ATOM 1306 OG SER A 95 8.570 33.846 -18.247 1.00 0.00 O ATOM 0 H SER A 95 7.284 32.660 -16.346 1.00 0.00 H new ATOM 0 HA SER A 95 9.216 34.656 -15.800 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.770 34.621 -17.624 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.088 35.773 -17.715 1.00 0.00 H new ATOM 0 HG SER A 95 8.362 34.006 -19.191 1.00 0.00 H new ATOM 1312 N GLY A 96 6.092 35.313 -14.883 1.00 0.00 N ATOM 1313 CA GLY A 96 5.280 36.187 -14.054 1.00 0.00 C ATOM 1314 C GLY A 96 3.838 35.692 -13.979 1.00 0.00 C ATOM 1315 O GLY A 96 3.459 35.040 -13.007 1.00 0.00 O ATOM 0 H GLY A 96 5.574 34.541 -15.301 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.703 36.237 -13.051 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.300 37.199 -14.459 1.00 0.00 H new ATOM 1319 N ASN A 97 3.043 35.994 -15.014 1.00 0.00 N ATOM 1320 CA ASN A 97 1.636 35.620 -15.103 1.00 0.00 C ATOM 1321 C ASN A 97 1.455 34.159 -15.532 1.00 0.00 C ATOM 1322 O ASN A 97 0.378 33.595 -15.340 1.00 0.00 O ATOM 1323 CB ASN A 97 0.931 36.575 -16.079 1.00 0.00 C ATOM 1324 CG ASN A 97 -0.564 36.285 -16.216 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -1.007 35.786 -17.249 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -1.347 36.594 -15.177 1.00 0.00 N ATOM 0 H ASN A 97 3.372 36.516 -15.826 1.00 0.00 H new ATOM 0 HA ASN A 97 1.187 35.707 -14.114 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.068 37.601 -15.738 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.402 36.499 -17.059 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.350 36.417 -15.224 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.941 37.007 -14.337 1.00 0.00 H new ATOM 1333 N ASN A 98 2.491 33.539 -16.108 1.00 0.00 N ATOM 1334 CA ASN A 98 2.450 32.152 -16.545 1.00 0.00 C ATOM 1335 C ASN A 98 2.652 31.214 -15.352 1.00 0.00 C ATOM 1336 O ASN A 98 3.101 31.641 -14.289 1.00 0.00 O ATOM 1337 CB ASN A 98 3.524 31.923 -17.616 1.00 0.00 C ATOM 1338 CG ASN A 98 3.212 32.703 -18.892 1.00 0.00 C ATOM 1339 OD1 ASN A 98 2.457 32.229 -19.738 1.00 0.00 O ATOM 1340 ND2 ASN A 98 3.795 33.896 -19.035 1.00 0.00 N ATOM 0 H ASN A 98 3.386 33.996 -16.282 1.00 0.00 H new ATOM 0 HA ASN A 98 1.474 31.935 -16.978 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.497 32.228 -17.230 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.591 30.859 -17.845 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.620 34.452 -19.872 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.415 34.251 -18.307 1.00 0.00 H new ATOM 1347 N PHE A 99 2.309 29.934 -15.542 1.00 0.00 N ATOM 1348 CA PHE A 99 2.430 28.868 -14.557 1.00 0.00 C ATOM 1349 C PHE A 99 3.320 27.778 -15.159 1.00 0.00 C ATOM 1350 O PHE A 99 2.914 27.144 -16.134 1.00 0.00 O ATOM 1351 CB PHE A 99 1.039 28.246 -14.297 1.00 0.00 C ATOM 1352 CG PHE A 99 0.299 28.835 -13.118 1.00 0.00 C ATOM 1353 CD1 PHE A 99 0.689 28.478 -11.813 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.775 29.725 -13.312 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.032 29.030 -10.703 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.435 30.276 -12.200 1.00 0.00 C ATOM 1357 CZ PHE A 99 -1.019 29.941 -10.898 1.00 0.00 C ATOM 0 H PHE A 99 1.923 29.605 -16.427 1.00 0.00 H new ATOM 0 HA PHE A 99 2.843 29.262 -13.629 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.428 28.368 -15.191 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.158 27.175 -14.136 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.497 27.777 -11.666 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.091 29.983 -14.312 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.333 28.756 -9.703 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.261 30.956 -12.345 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.510 30.386 -10.045 1.00 0.00 H new ATOM 1367 N VAL A 100 4.519 27.557 -14.601 1.00 0.00 N ATOM 1368 CA VAL A 100 5.432 26.517 -15.078 1.00 0.00 C ATOM 1369 C VAL A 100 5.268 25.284 -14.202 1.00 0.00 C ATOM 1370 O VAL A 100 4.752 25.370 -13.091 1.00 0.00 O ATOM 1371 CB VAL A 100 6.903 26.954 -15.094 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.127 28.007 -16.178 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.408 27.385 -13.714 1.00 0.00 C ATOM 0 H VAL A 100 4.879 28.093 -13.811 1.00 0.00 H new ATOM 0 HA VAL A 100 5.168 26.302 -16.114 1.00 0.00 H new ATOM 0 HB VAL A 100 7.512 26.087 -15.349 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.174 28.310 -16.180 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.868 27.589 -17.151 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.499 28.875 -15.978 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.454 27.683 -13.786 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.815 28.226 -13.356 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.315 26.553 -13.016 1.00 0.00 H new ATOM 1383 N GLY A 101 5.727 24.141 -14.715 1.00 0.00 N ATOM 1384 CA GLY A 101 5.635 22.867 -14.026 1.00 0.00 C ATOM 1385 C GLY A 101 6.611 22.767 -12.854 1.00 0.00 C ATOM 1386 O GLY A 101 7.630 23.454 -12.817 1.00 0.00 O ATOM 0 H GLY A 101 6.176 24.081 -15.629 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.618 22.727 -13.661 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.834 22.060 -14.731 1.00 0.00 H new ATOM 1390 N CYS A 102 6.271 21.904 -11.888 1.00 0.00 N ATOM 1391 CA CYS A 102 7.056 21.626 -10.690 1.00 0.00 C ATOM 1392 C CYS A 102 8.167 20.626 -11.041 1.00 0.00 C ATOM 1393 O CYS A 102 8.356 20.293 -12.210 1.00 0.00 O ATOM 1394 CB CYS A 102 6.111 21.046 -9.625 1.00 0.00 C ATOM 1395 SG CYS A 102 6.313 21.581 -7.901 1.00 0.00 S ATOM 0 H CYS A 102 5.408 21.362 -11.926 1.00 0.00 H new ATOM 0 HA CYS A 102 7.521 22.533 -10.304 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.090 21.279 -9.926 1.00 0.00 H new ATOM 0 HB3 CYS A 102 6.211 19.961 -9.649 1.00 0.00 H new ATOM 1400 N SER A 103 8.910 20.142 -10.039 1.00 0.00 N ATOM 1401 CA SER A 103 9.970 19.169 -10.275 1.00 0.00 C ATOM 1402 C SER A 103 9.331 17.851 -10.715 1.00 0.00 C ATOM 1403 O SER A 103 8.362 17.397 -10.106 1.00 0.00 O ATOM 1404 CB SER A 103 10.824 18.974 -9.023 1.00 0.00 C ATOM 1405 OG SER A 103 11.901 18.107 -9.300 1.00 0.00 O ATOM 0 H SER A 103 8.793 20.410 -9.062 1.00 0.00 H new ATOM 0 HA SER A 103 10.633 19.533 -11.060 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.202 19.936 -8.678 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.214 18.563 -8.218 1.00 0.00 H new ATOM 0 HG SER A 103 12.443 17.990 -8.492 1.00 0.00 H new ATOM 1411 N GLY A 104 9.874 17.241 -11.774 1.00 0.00 N ATOM 1412 CA GLY A 104 9.362 15.996 -12.326 1.00 0.00 C ATOM 1413 C GLY A 104 8.079 16.230 -13.130 1.00 0.00 C ATOM 1414 O GLY A 104 7.283 15.308 -13.295 1.00 0.00 O ATOM 0 H GLY A 104 10.687 17.605 -12.271 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.118 15.542 -12.967 1.00 0.00 H new ATOM 0 HA3 GLY A 104 9.164 15.292 -11.518 1.00 0.00 H new ATOM 1418 N THR A 105 7.878 17.464 -13.618 1.00 0.00 N ATOM 1419 CA THR A 105 6.739 17.881 -14.418 1.00 0.00 C ATOM 1420 C THR A 105 7.288 18.887 -15.430 1.00 0.00 C ATOM 1421 O THR A 105 7.399 20.075 -15.134 1.00 0.00 O ATOM 1422 CB THR A 105 5.634 18.473 -13.524 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.253 17.540 -12.533 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.398 18.827 -14.356 1.00 0.00 C ATOM 0 H THR A 105 8.539 18.223 -13.453 1.00 0.00 H new ATOM 0 HA THR A 105 6.269 17.046 -14.937 1.00 0.00 H new ATOM 0 HB THR A 105 6.031 19.374 -13.056 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.551 17.929 -11.970 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.629 19.244 -13.706 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.668 19.561 -15.115 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.016 17.928 -14.840 1.00 0.00 H new ATOM 1432 N ASN A 106 7.641 18.395 -16.623 1.00 0.00 N ATOM 1433 CA ASN A 106 8.209 19.187 -17.706 1.00 0.00 C ATOM 1434 C ASN A 106 7.972 18.480 -19.040 1.00 0.00 C ATOM 1435 O ASN A 106 7.886 19.206 -20.054 1.00 0.00 O ATOM 1436 CB ASN A 106 9.711 19.384 -17.442 1.00 0.00 C ATOM 1437 CG ASN A 106 10.404 20.160 -18.560 1.00 0.00 C ATOM 1438 OD1 ASN A 106 11.115 19.575 -19.375 1.00 0.00 O ATOM 1439 ND2 ASN A 106 10.203 21.481 -18.602 1.00 0.00 N ATOM 1440 OXT ASN A 106 8.076 17.233 -19.052 1.00 0.00 O ATOM 0 H ASN A 106 7.535 17.409 -16.862 1.00 0.00 H new ATOM 0 HA ASN A 106 7.728 20.164 -17.753 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.844 19.914 -16.499 1.00 0.00 H new ATOM 0 HB3 ASN A 106 10.188 18.410 -17.330 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.647 22.042 -19.329 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.606 21.928 -17.907 1.00 0.00 H new