USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0.296 (180deg=-0.221!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.0315 (180deg=-0.349) USER MOD Single : A 26 SER OG : rot 120:sc= -0.694 USER MOD Single : A 27 SER OG : rot 68:sc= -0.0313 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 12:sc= 1.25 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.0054) USER MOD Single : A 62 HIS : no HD1:sc= -3.15! C(o=-3.1!,f=-5.6!) USER MOD Single : A 63 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.13) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 62.795 40.830 -33.070 1.00 1.00 N ATOM 2 CA MET A 1 62.311 39.616 -32.354 1.00 1.00 C ATOM 3 C MET A 1 61.013 39.133 -32.994 1.00 1.00 C ATOM 4 O MET A 1 60.075 38.744 -32.299 1.00 1.00 O ATOM 5 CB MET A 1 62.071 39.957 -30.881 1.00 1.00 C ATOM 6 CG MET A 1 63.411 40.012 -30.146 1.00 1.00 C ATOM 7 SD MET A 1 64.469 41.264 -30.911 1.00 1.00 S ATOM 8 CE MET A 1 65.755 41.284 -29.638 1.00 1.00 C ATOM 0 H1 MET A 1 63.612 41.229 -32.564 1.00 1.00 H new ATOM 0 H2 MET A 1 63.079 40.573 -34.037 1.00 1.00 H new ATOM 0 H3 MET A 1 62.033 41.537 -33.109 1.00 1.00 H new ATOM 0 HA MET A 1 63.059 38.826 -32.422 1.00 1.00 H new ATOM 0 HB2 MET A 1 61.558 40.915 -30.797 1.00 1.00 H new ATOM 0 HB3 MET A 1 61.424 39.208 -30.424 1.00 1.00 H new ATOM 0 HG2 MET A 1 63.251 40.249 -29.094 1.00 1.00 H new ATOM 0 HG3 MET A 1 63.898 39.038 -30.183 1.00 1.00 H new ATOM 0 HE1 MET A 1 66.527 42.003 -29.912 1.00 1.00 H new ATOM 0 HE2 MET A 1 65.316 41.569 -28.682 1.00 1.00 H new ATOM 0 HE3 MET A 1 66.198 40.292 -29.553 1.00 1.00 H new ATOM 20 N GLU A 2 60.969 39.161 -34.321 1.00 1.00 N ATOM 21 CA GLU A 2 59.781 38.723 -35.044 1.00 1.00 C ATOM 22 C GLU A 2 59.430 37.286 -34.672 1.00 1.00 C ATOM 23 O GLU A 2 60.230 36.371 -34.867 1.00 1.00 O ATOM 24 CB GLU A 2 60.020 38.819 -36.552 1.00 1.00 C ATOM 25 CG GLU A 2 60.080 40.291 -36.965 1.00 1.00 C ATOM 26 CD GLU A 2 60.258 40.403 -38.475 1.00 1.00 C ATOM 27 OE1 GLU A 2 61.357 40.148 -38.942 1.00 1.00 O ATOM 28 OE2 GLU A 2 59.295 40.743 -39.142 1.00 1.00 O ATOM 0 H GLU A 2 61.735 39.480 -34.914 1.00 1.00 H new ATOM 0 HA GLU A 2 58.950 39.372 -34.768 1.00 1.00 H new ATOM 0 HB2 GLU A 2 60.951 38.318 -36.816 1.00 1.00 H new ATOM 0 HB3 GLU A 2 59.220 38.311 -37.091 1.00 1.00 H new ATOM 0 HG2 GLU A 2 59.166 40.800 -36.660 1.00 1.00 H new ATOM 0 HG3 GLU A 2 60.906 40.787 -36.456 1.00 1.00 H new ATOM 35 N GLU A 3 58.229 37.096 -34.135 1.00 1.00 N ATOM 36 CA GLU A 3 57.782 35.769 -33.740 1.00 1.00 C ATOM 37 C GLU A 3 56.262 35.729 -33.617 1.00 1.00 C ATOM 38 O GLU A 3 55.621 36.758 -33.403 1.00 1.00 O ATOM 39 CB GLU A 3 58.415 35.380 -32.402 1.00 1.00 C ATOM 40 CG GLU A 3 59.444 34.269 -32.623 1.00 1.00 C ATOM 41 CD GLU A 3 60.070 33.867 -31.292 1.00 1.00 C ATOM 42 OE1 GLU A 3 60.776 34.683 -30.723 1.00 1.00 O ATOM 43 OE2 GLU A 3 59.833 32.751 -30.862 1.00 1.00 O ATOM 0 H GLU A 3 57.553 37.841 -33.965 1.00 1.00 H new ATOM 0 HA GLU A 3 58.091 35.060 -34.507 1.00 1.00 H new ATOM 0 HB2 GLU A 3 58.894 36.248 -31.949 1.00 1.00 H new ATOM 0 HB3 GLU A 3 57.645 35.043 -31.708 1.00 1.00 H new ATOM 0 HG2 GLU A 3 58.966 33.405 -33.085 1.00 1.00 H new ATOM 0 HG3 GLU A 3 60.218 34.610 -33.310 1.00 1.00 H new ATOM 50 N GLY A 4 55.693 34.536 -33.754 1.00 1.00 N ATOM 51 CA GLY A 4 54.247 34.374 -33.656 1.00 1.00 C ATOM 52 C GLY A 4 53.748 34.764 -32.269 1.00 1.00 C ATOM 53 O GLY A 4 52.580 35.110 -32.093 1.00 1.00 O ATOM 0 H GLY A 4 56.207 33.673 -33.932 1.00 1.00 H new ATOM 0 HA2 GLY A 4 53.756 34.990 -34.410 1.00 1.00 H new ATOM 0 HA3 GLY A 4 53.978 33.339 -33.866 1.00 1.00 H new ATOM 57 N GLY A 5 54.641 34.706 -31.287 1.00 1.00 N ATOM 58 CA GLY A 5 54.280 35.054 -29.917 1.00 1.00 C ATOM 59 C GLY A 5 54.915 34.089 -28.923 1.00 1.00 C ATOM 60 O GLY A 5 54.556 32.912 -28.870 1.00 1.00 O ATOM 0 H GLY A 5 55.613 34.424 -31.412 1.00 1.00 H new ATOM 0 HA2 GLY A 5 54.604 36.072 -29.699 1.00 1.00 H new ATOM 0 HA3 GLY A 5 53.196 35.034 -29.807 1.00 1.00 H new ATOM 64 N ASP A 6 55.860 34.593 -28.138 1.00 1.00 N ATOM 65 CA ASP A 6 56.540 33.765 -27.149 1.00 1.00 C ATOM 66 C ASP A 6 55.557 33.272 -26.093 1.00 1.00 C ATOM 67 O ASP A 6 55.943 32.593 -25.141 1.00 1.00 O ATOM 68 CB ASP A 6 57.657 34.566 -26.476 1.00 1.00 C ATOM 69 CG ASP A 6 59.001 34.211 -27.100 1.00 1.00 C ATOM 70 OD1 ASP A 6 59.169 34.461 -28.282 1.00 1.00 O ATOM 71 OD2 ASP A 6 59.845 33.692 -26.386 1.00 1.00 O ATOM 0 H ASP A 6 56.171 35.564 -28.166 1.00 1.00 H new ATOM 0 HA ASP A 6 56.968 32.902 -27.659 1.00 1.00 H new ATOM 0 HB2 ASP A 6 57.467 35.634 -26.585 1.00 1.00 H new ATOM 0 HB3 ASP A 6 57.675 34.353 -25.407 1.00 1.00 H new ATOM 76 N PHE A 7 54.286 33.619 -26.267 1.00 1.00 N ATOM 77 CA PHE A 7 53.255 33.208 -25.322 1.00 1.00 C ATOM 78 C PHE A 7 52.446 32.043 -25.885 1.00 1.00 C ATOM 79 O PHE A 7 51.813 31.297 -25.139 1.00 1.00 O ATOM 80 CB PHE A 7 52.323 34.383 -25.026 1.00 1.00 C ATOM 81 CG PHE A 7 51.005 33.862 -24.506 1.00 1.00 C ATOM 82 CD1 PHE A 7 50.904 33.407 -23.186 1.00 1.00 C ATOM 83 CD2 PHE A 7 49.883 33.834 -25.344 1.00 1.00 C ATOM 84 CE1 PHE A 7 49.681 32.923 -22.703 1.00 1.00 C ATOM 85 CE2 PHE A 7 48.661 33.350 -24.862 1.00 1.00 C ATOM 86 CZ PHE A 7 48.560 32.895 -23.541 1.00 1.00 C ATOM 0 H PHE A 7 53.947 34.180 -27.048 1.00 1.00 H new ATOM 0 HA PHE A 7 53.739 32.887 -24.400 1.00 1.00 H new ATOM 0 HB2 PHE A 7 52.779 35.047 -24.291 1.00 1.00 H new ATOM 0 HB3 PHE A 7 52.163 34.970 -25.930 1.00 1.00 H new ATOM 0 HD1 PHE A 7 51.769 33.429 -22.540 1.00 1.00 H new ATOM 0 HD2 PHE A 7 49.961 34.186 -26.362 1.00 1.00 H new ATOM 0 HE1 PHE A 7 49.603 32.572 -21.685 1.00 1.00 H new ATOM 0 HE2 PHE A 7 47.796 33.327 -25.509 1.00 1.00 H new ATOM 0 HZ PHE A 7 47.617 32.522 -23.169 1.00 1.00 H new ATOM 96 N ASP A 8 52.473 31.895 -27.206 1.00 1.00 N ATOM 97 CA ASP A 8 51.739 30.817 -27.858 1.00 1.00 C ATOM 98 C ASP A 8 52.162 29.463 -27.296 1.00 1.00 C ATOM 99 O ASP A 8 53.341 29.113 -27.320 1.00 1.00 O ATOM 100 CB ASP A 8 51.994 30.848 -29.366 1.00 1.00 C ATOM 101 CG ASP A 8 50.677 31.002 -30.116 1.00 1.00 C ATOM 102 OD1 ASP A 8 49.751 30.269 -29.804 1.00 1.00 O ATOM 103 OD2 ASP A 8 50.610 31.850 -30.991 1.00 1.00 O ATOM 0 H ASP A 8 52.991 32.503 -27.841 1.00 1.00 H new ATOM 0 HA ASP A 8 50.676 30.960 -27.667 1.00 1.00 H new ATOM 0 HB2 ASP A 8 52.661 31.674 -29.613 1.00 1.00 H new ATOM 0 HB3 ASP A 8 52.494 29.931 -29.677 1.00 1.00 H new ATOM 108 N ASN A 9 51.191 28.708 -26.792 1.00 1.00 N ATOM 109 CA ASN A 9 51.475 27.394 -26.227 1.00 1.00 C ATOM 110 C ASN A 9 50.403 26.391 -26.638 1.00 1.00 C ATOM 111 O ASN A 9 50.698 25.225 -26.903 1.00 1.00 O ATOM 112 CB ASN A 9 51.535 27.484 -24.701 1.00 1.00 C ATOM 113 CG ASN A 9 52.115 26.197 -24.125 1.00 1.00 C ATOM 114 OD1 ASN A 9 53.285 25.887 -24.349 1.00 1.00 O ATOM 115 ND2 ASN A 9 51.361 25.423 -23.393 1.00 1.00 N ATOM 0 H ASN A 9 50.209 28.981 -26.763 1.00 1.00 H new ATOM 0 HA ASN A 9 52.438 27.055 -26.609 1.00 1.00 H new ATOM 0 HB2 ASN A 9 52.148 28.334 -24.402 1.00 1.00 H new ATOM 0 HB3 ASN A 9 50.536 27.654 -24.299 1.00 1.00 H new ATOM 0 HD21 ASN A 9 51.741 24.559 -23.005 1.00 1.00 H new ATOM 0 HD22 ASN A 9 50.392 25.682 -23.209 1.00 1.00 H new ATOM 122 N TYR A 10 49.158 26.851 -26.690 1.00 1.00 N ATOM 123 CA TYR A 10 48.048 25.984 -27.071 1.00 1.00 C ATOM 124 C TYR A 10 48.439 25.102 -28.252 1.00 1.00 C ATOM 125 O TYR A 10 48.792 23.936 -28.078 1.00 1.00 O ATOM 126 CB TYR A 10 46.829 26.830 -27.444 1.00 1.00 C ATOM 127 CG TYR A 10 46.249 27.455 -26.199 1.00 1.00 C ATOM 128 CD1 TYR A 10 45.370 26.723 -25.393 1.00 1.00 C ATOM 129 CD2 TYR A 10 46.590 28.768 -25.850 1.00 1.00 C ATOM 130 CE1 TYR A 10 44.831 27.302 -24.237 1.00 1.00 C ATOM 131 CE2 TYR A 10 46.051 29.347 -24.695 1.00 1.00 C ATOM 132 CZ TYR A 10 45.172 28.615 -23.889 1.00 1.00 C ATOM 133 OH TYR A 10 44.642 29.186 -22.751 1.00 1.00 O ATOM 0 H TYR A 10 48.892 27.812 -26.475 1.00 1.00 H new ATOM 0 HA TYR A 10 47.801 25.346 -26.222 1.00 1.00 H new ATOM 0 HB2 TYR A 10 47.115 27.606 -28.154 1.00 1.00 H new ATOM 0 HB3 TYR A 10 46.079 26.210 -27.935 1.00 1.00 H new ATOM 0 HD1 TYR A 10 45.107 25.711 -25.662 1.00 1.00 H new ATOM 0 HD2 TYR A 10 47.268 29.333 -26.472 1.00 1.00 H new ATOM 0 HE1 TYR A 10 44.153 26.737 -23.615 1.00 1.00 H new ATOM 0 HE2 TYR A 10 46.314 30.359 -24.426 1.00 1.00 H new ATOM 0 HH TYR A 10 44.982 30.100 -22.655 1.00 1.00 H new ATOM 143 N TYR A 11 48.373 25.667 -29.454 1.00 1.00 N ATOM 144 CA TYR A 11 48.723 24.921 -30.657 1.00 1.00 C ATOM 145 C TYR A 11 47.953 23.605 -30.715 1.00 1.00 C ATOM 146 O TYR A 11 46.851 23.544 -31.261 1.00 1.00 O ATOM 147 CB TYR A 11 50.226 24.637 -30.677 1.00 1.00 C ATOM 148 CG TYR A 11 50.560 23.777 -31.873 1.00 1.00 C ATOM 149 CD1 TYR A 11 50.586 24.341 -33.155 1.00 1.00 C ATOM 150 CD2 TYR A 11 50.843 22.417 -31.701 1.00 1.00 C ATOM 151 CE1 TYR A 11 50.896 23.545 -34.263 1.00 1.00 C ATOM 152 CE2 TYR A 11 51.153 21.621 -32.809 1.00 1.00 C ATOM 153 CZ TYR A 11 51.180 22.185 -34.091 1.00 1.00 C ATOM 154 OH TYR A 11 51.486 21.399 -35.184 1.00 1.00 O ATOM 0 H TYR A 11 48.083 26.631 -29.620 1.00 1.00 H new ATOM 0 HA TYR A 11 48.456 25.523 -31.526 1.00 1.00 H new ATOM 0 HB2 TYR A 11 50.783 25.573 -30.722 1.00 1.00 H new ATOM 0 HB3 TYR A 11 50.524 24.132 -29.758 1.00 1.00 H new ATOM 0 HD1 TYR A 11 50.367 25.390 -33.288 1.00 1.00 H new ATOM 0 HD2 TYR A 11 50.822 21.982 -30.713 1.00 1.00 H new ATOM 0 HE1 TYR A 11 50.916 23.980 -35.251 1.00 1.00 H new ATOM 0 HE2 TYR A 11 51.371 20.572 -32.676 1.00 1.00 H new ATOM 0 HH TYR A 11 51.658 20.480 -34.889 1.00 1.00 H new ATOM 164 N GLY A 12 48.541 22.557 -30.150 1.00 1.00 N ATOM 165 CA GLY A 12 47.901 21.246 -30.143 1.00 1.00 C ATOM 166 C GLY A 12 46.427 21.362 -29.770 1.00 1.00 C ATOM 167 O GLY A 12 45.554 20.889 -30.497 1.00 1.00 O ATOM 0 H GLY A 12 49.453 22.588 -29.694 1.00 1.00 H new ATOM 0 HA2 GLY A 12 47.996 20.785 -31.126 1.00 1.00 H new ATOM 0 HA3 GLY A 12 48.409 20.592 -29.434 1.00 1.00 H new ATOM 171 N ALA A 13 46.158 21.994 -28.632 1.00 1.00 N ATOM 172 CA ALA A 13 44.785 22.166 -28.172 1.00 1.00 C ATOM 173 C ALA A 13 43.990 20.879 -28.363 1.00 1.00 C ATOM 174 O ALA A 13 43.978 20.011 -27.491 1.00 1.00 O ATOM 175 CB ALA A 13 44.113 23.303 -28.945 1.00 1.00 C ATOM 0 H ALA A 13 46.866 22.393 -28.016 1.00 1.00 H new ATOM 0 HA ALA A 13 44.806 22.412 -27.110 1.00 1.00 H new ATOM 0 HB1 ALA A 13 43.088 23.425 -28.595 1.00 1.00 H new ATOM 0 HB2 ALA A 13 44.664 24.229 -28.782 1.00 1.00 H new ATOM 0 HB3 ALA A 13 44.108 23.066 -30.009 1.00 1.00 H new ATOM 181 N ASP A 14 43.329 20.762 -29.510 1.00 1.00 N ATOM 182 CA ASP A 14 42.534 19.577 -29.805 1.00 1.00 C ATOM 183 C ASP A 14 43.326 18.310 -29.495 1.00 1.00 C ATOM 184 O ASP A 14 42.751 17.239 -29.303 1.00 1.00 O ATOM 185 CB ASP A 14 42.125 19.575 -31.280 1.00 1.00 C ATOM 186 CG ASP A 14 42.351 18.192 -31.883 1.00 1.00 C ATOM 187 OD1 ASP A 14 41.476 17.355 -31.737 1.00 1.00 O ATOM 188 OD2 ASP A 14 43.395 17.992 -32.480 1.00 1.00 O ATOM 0 H ASP A 14 43.328 21.469 -30.246 1.00 1.00 H new ATOM 0 HA ASP A 14 41.641 19.598 -29.180 1.00 1.00 H new ATOM 0 HB2 ASP A 14 41.076 19.855 -31.375 1.00 1.00 H new ATOM 0 HB3 ASP A 14 42.704 20.318 -31.827 1.00 1.00 H new ATOM 193 N ASN A 15 44.648 18.442 -29.446 1.00 1.00 N ATOM 194 CA ASN A 15 45.508 17.301 -29.156 1.00 1.00 C ATOM 195 C ASN A 15 45.370 16.881 -27.697 1.00 1.00 C ATOM 196 O ASN A 15 46.026 15.941 -27.246 1.00 1.00 O ATOM 197 CB ASN A 15 46.966 17.659 -29.451 1.00 1.00 C ATOM 198 CG ASN A 15 47.574 16.634 -30.403 1.00 1.00 C ATOM 199 OD1 ASN A 15 47.284 16.649 -31.600 1.00 1.00 O ATOM 200 ND2 ASN A 15 48.403 15.738 -29.941 1.00 1.00 N ATOM 0 H ASN A 15 45.143 19.320 -29.602 1.00 1.00 H new ATOM 0 HA ASN A 15 45.202 16.469 -29.791 1.00 1.00 H new ATOM 0 HB2 ASN A 15 47.022 18.654 -29.891 1.00 1.00 H new ATOM 0 HB3 ASN A 15 47.537 17.688 -28.523 1.00 1.00 H new ATOM 0 HD21 ASN A 15 48.812 15.048 -30.572 1.00 1.00 H new ATOM 0 HD22 ASN A 15 48.642 15.727 -28.949 1.00 1.00 H new ATOM 207 N GLN A 16 44.514 17.584 -26.963 1.00 1.00 N ATOM 208 CA GLN A 16 44.297 17.276 -25.554 1.00 1.00 C ATOM 209 C GLN A 16 42.812 17.355 -25.210 1.00 1.00 C ATOM 210 O GLN A 16 42.437 17.884 -24.164 1.00 1.00 O ATOM 211 CB GLN A 16 45.079 18.256 -24.678 1.00 1.00 C ATOM 212 CG GLN A 16 46.520 18.356 -25.185 1.00 1.00 C ATOM 213 CD GLN A 16 47.381 19.090 -24.164 1.00 1.00 C ATOM 214 OE1 GLN A 16 47.355 20.319 -24.096 1.00 1.00 O ATOM 215 NE2 GLN A 16 48.148 18.407 -23.359 1.00 1.00 N ATOM 0 H GLN A 16 43.963 18.366 -27.317 1.00 1.00 H new ATOM 0 HA GLN A 16 44.648 16.261 -25.365 1.00 1.00 H new ATOM 0 HB2 GLN A 16 44.606 19.238 -24.700 1.00 1.00 H new ATOM 0 HB3 GLN A 16 45.070 17.921 -23.641 1.00 1.00 H new ATOM 0 HG2 GLN A 16 46.922 17.359 -25.362 1.00 1.00 H new ATOM 0 HG3 GLN A 16 46.543 18.883 -26.139 1.00 1.00 H new ATOM 0 HE21 GLN A 16 48.169 17.389 -23.416 1.00 1.00 H new ATOM 0 HE22 GLN A 16 48.727 18.891 -22.673 1.00 1.00 H new ATOM 224 N SER A 17 41.975 16.828 -26.097 1.00 1.00 N ATOM 225 CA SER A 17 40.534 16.845 -25.876 1.00 1.00 C ATOM 226 C SER A 17 39.912 15.515 -26.290 1.00 1.00 C ATOM 227 O SER A 17 40.320 14.911 -27.282 1.00 1.00 O ATOM 228 CB SER A 17 39.897 17.980 -26.678 1.00 1.00 C ATOM 229 OG SER A 17 38.536 18.120 -26.294 1.00 1.00 O ATOM 0 H SER A 17 42.267 16.387 -26.969 1.00 1.00 H new ATOM 0 HA SER A 17 40.350 17.003 -24.813 1.00 1.00 H new ATOM 0 HB2 SER A 17 40.434 18.912 -26.501 1.00 1.00 H new ATOM 0 HB3 SER A 17 39.966 17.770 -27.745 1.00 1.00 H new ATOM 0 HG SER A 17 38.125 18.848 -26.805 1.00 1.00 H new ATOM 235 N GLU A 18 38.923 15.067 -25.523 1.00 1.00 N ATOM 236 CA GLU A 18 38.253 13.806 -25.821 1.00 1.00 C ATOM 237 C GLU A 18 39.272 12.726 -26.170 1.00 1.00 C ATOM 238 O GLU A 18 39.099 11.986 -27.138 1.00 1.00 O ATOM 239 CB GLU A 18 37.284 13.993 -26.990 1.00 1.00 C ATOM 240 CG GLU A 18 36.155 12.965 -26.888 1.00 1.00 C ATOM 241 CD GLU A 18 35.322 12.977 -28.164 1.00 1.00 C ATOM 242 OE1 GLU A 18 35.679 13.706 -29.075 1.00 1.00 O ATOM 243 OE2 GLU A 18 34.338 12.257 -28.213 1.00 1.00 O ATOM 0 H GLU A 18 38.570 15.553 -24.698 1.00 1.00 H new ATOM 0 HA GLU A 18 37.699 13.493 -24.936 1.00 1.00 H new ATOM 0 HB2 GLU A 18 36.873 15.002 -26.977 1.00 1.00 H new ATOM 0 HB3 GLU A 18 37.812 13.876 -27.936 1.00 1.00 H new ATOM 0 HG2 GLU A 18 36.571 11.971 -26.725 1.00 1.00 H new ATOM 0 HG3 GLU A 18 35.523 13.191 -26.029 1.00 1.00 H new ATOM 250 N CYS A 19 40.332 12.642 -25.374 1.00 1.00 N ATOM 251 CA CYS A 19 41.374 11.648 -25.609 1.00 1.00 C ATOM 252 C CYS A 19 41.825 11.025 -24.292 1.00 1.00 C ATOM 253 O CYS A 19 42.008 9.811 -24.199 1.00 1.00 O ATOM 254 CB CYS A 19 42.570 12.299 -26.305 1.00 1.00 C ATOM 255 SG CYS A 19 43.701 11.013 -26.890 1.00 1.00 S ATOM 0 H CYS A 19 40.493 13.244 -24.567 1.00 1.00 H new ATOM 0 HA CYS A 19 40.966 10.865 -26.248 1.00 1.00 H new ATOM 0 HB2 CYS A 19 42.230 12.908 -27.143 1.00 1.00 H new ATOM 0 HB3 CYS A 19 43.087 12.966 -25.615 1.00 1.00 H new ATOM 0 HG CYS A 19 44.717 11.566 -27.484 1.00 1.00 H new ATOM 261 N GLU A 20 42.004 11.864 -23.277 1.00 1.00 N ATOM 262 CA GLU A 20 42.436 11.383 -21.969 1.00 1.00 C ATOM 263 C GLU A 20 41.742 12.163 -20.856 1.00 1.00 C ATOM 264 O GLU A 20 42.080 12.018 -19.681 1.00 1.00 O ATOM 265 CB GLU A 20 43.951 11.533 -21.832 1.00 1.00 C ATOM 266 CG GLU A 20 44.493 12.354 -23.004 1.00 1.00 C ATOM 267 CD GLU A 20 45.976 12.640 -22.799 1.00 1.00 C ATOM 268 OE1 GLU A 20 46.334 13.054 -21.708 1.00 1.00 O ATOM 269 OE2 GLU A 20 46.733 12.439 -23.734 1.00 1.00 O ATOM 0 H GLU A 20 41.858 12.872 -23.333 1.00 1.00 H new ATOM 0 HA GLU A 20 42.167 10.330 -21.882 1.00 1.00 H new ATOM 0 HB2 GLU A 20 44.194 12.022 -20.889 1.00 1.00 H new ATOM 0 HB3 GLU A 20 44.424 10.551 -21.813 1.00 1.00 H new ATOM 0 HG2 GLU A 20 44.345 11.812 -23.938 1.00 1.00 H new ATOM 0 HG3 GLU A 20 43.942 13.291 -23.088 1.00 1.00 H new ATOM 276 N TYR A 21 40.772 12.990 -21.234 1.00 1.00 N ATOM 277 CA TYR A 21 40.040 13.788 -20.258 1.00 1.00 C ATOM 278 C TYR A 21 38.724 13.110 -19.891 1.00 1.00 C ATOM 279 O TYR A 21 37.647 13.582 -20.257 1.00 1.00 O ATOM 280 CB TYR A 21 39.757 15.180 -20.828 1.00 1.00 C ATOM 281 CG TYR A 21 40.943 16.080 -20.569 1.00 1.00 C ATOM 282 CD1 TYR A 21 42.210 15.714 -21.037 1.00 1.00 C ATOM 283 CD2 TYR A 21 40.776 17.276 -19.861 1.00 1.00 C ATOM 284 CE1 TYR A 21 43.312 16.547 -20.798 1.00 1.00 C ATOM 285 CE2 TYR A 21 41.876 18.108 -19.623 1.00 1.00 C ATOM 286 CZ TYR A 21 43.144 17.743 -20.091 1.00 1.00 C ATOM 287 OH TYR A 21 44.229 18.562 -19.856 1.00 1.00 O ATOM 0 H TYR A 21 40.477 13.124 -22.201 1.00 1.00 H new ATOM 0 HA TYR A 21 40.651 13.880 -19.360 1.00 1.00 H new ATOM 0 HB2 TYR A 21 39.564 15.114 -21.899 1.00 1.00 H new ATOM 0 HB3 TYR A 21 38.862 15.598 -20.368 1.00 1.00 H new ATOM 0 HD1 TYR A 21 42.339 14.790 -21.582 1.00 1.00 H new ATOM 0 HD2 TYR A 21 39.798 17.557 -19.498 1.00 1.00 H new ATOM 0 HE1 TYR A 21 44.290 16.266 -21.159 1.00 1.00 H new ATOM 0 HE2 TYR A 21 41.747 19.032 -19.078 1.00 1.00 H new ATOM 0 HH TYR A 21 43.940 19.352 -19.353 1.00 1.00 H new ATOM 297 N THR A 22 38.818 11.999 -19.167 1.00 1.00 N ATOM 298 CA THR A 22 37.628 11.263 -18.757 1.00 1.00 C ATOM 299 C THR A 22 37.998 10.130 -17.808 1.00 1.00 C ATOM 300 O THR A 22 37.360 9.941 -16.772 1.00 1.00 O ATOM 301 CB THR A 22 36.919 10.690 -19.987 1.00 1.00 C ATOM 302 OG1 THR A 22 36.248 9.490 -19.628 1.00 1.00 O ATOM 303 CG2 THR A 22 37.946 10.395 -21.080 1.00 1.00 C ATOM 0 H THR A 22 39.699 11.591 -18.854 1.00 1.00 H new ATOM 0 HA THR A 22 36.960 11.951 -18.239 1.00 1.00 H new ATOM 0 HB THR A 22 36.195 11.415 -20.360 1.00 1.00 H new ATOM 0 HG1 THR A 22 35.792 9.122 -20.414 1.00 1.00 H new ATOM 0 HG21 THR A 22 37.439 9.987 -21.955 1.00 1.00 H new ATOM 0 HG22 THR A 22 38.460 11.316 -21.355 1.00 1.00 H new ATOM 0 HG23 THR A 22 38.672 9.671 -20.711 1.00 1.00 H new ATOM 311 N ASP A 23 39.033 9.378 -18.168 1.00 1.00 N ATOM 312 CA ASP A 23 39.481 8.263 -17.340 1.00 1.00 C ATOM 313 C ASP A 23 40.230 8.773 -16.113 1.00 1.00 C ATOM 314 O ASP A 23 40.840 7.995 -15.380 1.00 1.00 O ATOM 315 CB ASP A 23 40.395 7.344 -18.151 1.00 1.00 C ATOM 316 CG ASP A 23 41.526 8.152 -18.778 1.00 1.00 C ATOM 317 OD1 ASP A 23 41.275 8.810 -19.774 1.00 1.00 O ATOM 318 OD2 ASP A 23 42.625 8.101 -18.251 1.00 1.00 O ATOM 0 H ASP A 23 39.574 9.518 -19.021 1.00 1.00 H new ATOM 0 HA ASP A 23 38.604 7.705 -17.011 1.00 1.00 H new ATOM 0 HB2 ASP A 23 40.806 6.567 -17.507 1.00 1.00 H new ATOM 0 HB3 ASP A 23 39.821 6.842 -18.930 1.00 1.00 H new ATOM 323 N TRP A 24 40.178 10.083 -15.895 1.00 1.00 N ATOM 324 CA TRP A 24 40.856 10.684 -14.752 1.00 1.00 C ATOM 325 C TRP A 24 40.013 11.808 -14.160 1.00 1.00 C ATOM 326 O TRP A 24 39.868 11.913 -12.942 1.00 1.00 O ATOM 327 CB TRP A 24 42.218 11.235 -15.182 1.00 1.00 C ATOM 328 CG TRP A 24 42.048 12.618 -15.721 1.00 1.00 C ATOM 329 CD1 TRP A 24 41.437 12.927 -16.889 1.00 1.00 C ATOM 330 CD2 TRP A 24 42.481 13.882 -15.139 1.00 1.00 C ATOM 331 NE1 TRP A 24 41.468 14.300 -17.058 1.00 1.00 N ATOM 332 CE2 TRP A 24 42.101 14.932 -16.007 1.00 1.00 C ATOM 333 CE3 TRP A 24 43.161 14.214 -13.953 1.00 1.00 C ATOM 334 CZ2 TRP A 24 42.384 16.266 -15.709 1.00 1.00 C ATOM 335 CZ3 TRP A 24 43.448 15.555 -13.651 1.00 1.00 C ATOM 336 CH2 TRP A 24 43.060 16.579 -14.527 1.00 1.00 C ATOM 0 H TRP A 24 39.678 10.744 -16.489 1.00 1.00 H new ATOM 0 HA TRP A 24 41.000 9.915 -13.993 1.00 1.00 H new ATOM 0 HB2 TRP A 24 42.902 11.245 -14.334 1.00 1.00 H new ATOM 0 HB3 TRP A 24 42.660 10.589 -15.941 1.00 1.00 H new ATOM 0 HD1 TRP A 24 40.998 12.219 -17.576 1.00 1.00 H new ATOM 0 HE1 TRP A 24 41.071 14.786 -17.862 1.00 1.00 H new ATOM 0 HE3 TRP A 24 43.464 13.433 -13.271 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 42.083 17.051 -16.387 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 43.971 15.799 -12.738 1.00 1.00 H new ATOM 0 HH2 TRP A 24 43.283 17.608 -14.288 1.00 1.00 H new ATOM 347 N LYS A 25 39.460 12.647 -15.030 1.00 1.00 N ATOM 348 CA LYS A 25 38.633 13.761 -14.580 1.00 1.00 C ATOM 349 C LYS A 25 39.370 14.589 -13.532 1.00 1.00 C ATOM 350 O LYS A 25 40.085 15.535 -13.864 1.00 1.00 O ATOM 351 CB LYS A 25 37.325 13.233 -13.987 1.00 1.00 C ATOM 352 CG LYS A 25 36.328 12.955 -15.114 1.00 1.00 C ATOM 353 CD LYS A 25 35.531 14.226 -15.418 1.00 1.00 C ATOM 354 CE LYS A 25 35.097 14.218 -16.884 1.00 1.00 C ATOM 355 NZ LYS A 25 34.388 12.942 -17.185 1.00 1.00 N ATOM 0 H LYS A 25 39.568 12.578 -16.042 1.00 1.00 H new ATOM 0 HA LYS A 25 38.414 14.396 -15.439 1.00 1.00 H new ATOM 0 HB2 LYS A 25 37.513 12.321 -13.420 1.00 1.00 H new ATOM 0 HB3 LYS A 25 36.909 13.961 -13.291 1.00 1.00 H new ATOM 0 HG2 LYS A 25 36.857 12.623 -16.007 1.00 1.00 H new ATOM 0 HG3 LYS A 25 35.652 12.150 -14.825 1.00 1.00 H new ATOM 0 HD2 LYS A 25 34.657 14.284 -14.769 1.00 1.00 H new ATOM 0 HD3 LYS A 25 36.139 15.107 -15.213 1.00 1.00 H new ATOM 0 HE2 LYS A 25 34.443 15.066 -17.085 1.00 1.00 H new ATOM 0 HE3 LYS A 25 35.967 14.325 -17.532 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 33.863 13.039 -18.077 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 35.081 12.172 -17.273 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 33.724 12.723 -16.415 1.00 1.00 H new ATOM 369 N SER A 26 39.187 14.228 -12.267 1.00 1.00 N ATOM 370 CA SER A 26 39.837 14.945 -11.176 1.00 1.00 C ATOM 371 C SER A 26 41.051 14.174 -10.671 1.00 1.00 C ATOM 372 O SER A 26 42.192 14.594 -10.868 1.00 1.00 O ATOM 373 CB SER A 26 38.848 15.147 -10.029 1.00 1.00 C ATOM 374 OG SER A 26 38.327 13.886 -9.631 1.00 1.00 O ATOM 0 H SER A 26 38.598 13.449 -11.973 1.00 1.00 H new ATOM 0 HA SER A 26 40.169 15.914 -11.550 1.00 1.00 H new ATOM 0 HB2 SER A 26 39.343 15.631 -9.187 1.00 1.00 H new ATOM 0 HB3 SER A 26 38.038 15.805 -10.343 1.00 1.00 H new ATOM 0 HG SER A 26 38.547 13.723 -8.690 1.00 1.00 H new ATOM 380 N SER A 27 40.801 13.046 -10.014 1.00 1.00 N ATOM 381 CA SER A 27 41.885 12.228 -9.483 1.00 1.00 C ATOM 382 C SER A 27 42.827 13.082 -8.641 1.00 1.00 C ATOM 383 O SER A 27 43.959 12.685 -8.361 1.00 1.00 O ATOM 384 CB SER A 27 42.664 11.585 -10.628 1.00 1.00 C ATOM 385 OG SER A 27 41.764 11.248 -11.676 1.00 1.00 O ATOM 0 H SER A 27 39.865 12.680 -9.838 1.00 1.00 H new ATOM 0 HA SER A 27 41.456 11.447 -8.856 1.00 1.00 H new ATOM 0 HB2 SER A 27 43.427 12.271 -10.995 1.00 1.00 H new ATOM 0 HB3 SER A 27 43.181 10.692 -10.276 1.00 1.00 H new ATOM 0 HG SER A 27 41.416 12.068 -12.085 1.00 1.00 H new ATOM 391 N GLY A 28 42.351 14.256 -8.242 1.00 1.00 N ATOM 392 CA GLY A 28 43.155 15.163 -7.433 1.00 1.00 C ATOM 393 C GLY A 28 42.593 16.579 -7.489 1.00 1.00 C ATOM 394 O GLY A 28 43.344 17.555 -7.478 1.00 1.00 O ATOM 0 H GLY A 28 41.417 14.600 -8.464 1.00 1.00 H new ATOM 0 HA2 GLY A 28 43.175 14.815 -6.400 1.00 1.00 H new ATOM 0 HA3 GLY A 28 44.185 15.161 -7.790 1.00 1.00 H new ATOM 398 N ALA A 29 41.268 16.681 -7.550 1.00 1.00 N ATOM 399 CA ALA A 29 40.609 17.982 -7.610 1.00 1.00 C ATOM 400 C ALA A 29 39.475 18.060 -6.592 1.00 1.00 C ATOM 401 O ALA A 29 39.301 19.078 -5.922 1.00 1.00 O ATOM 402 CB ALA A 29 40.051 18.219 -9.015 1.00 1.00 C ATOM 0 H ALA A 29 40.633 15.883 -7.559 1.00 1.00 H new ATOM 0 HA ALA A 29 41.345 18.751 -7.375 1.00 1.00 H new ATOM 0 HB1 ALA A 29 39.561 19.192 -9.052 1.00 1.00 H new ATOM 0 HB2 ALA A 29 40.866 18.195 -9.739 1.00 1.00 H new ATOM 0 HB3 ALA A 29 39.329 17.439 -9.256 1.00 1.00 H new ATOM 408 N LEU A 30 38.705 16.980 -6.484 1.00 1.00 N ATOM 409 CA LEU A 30 37.589 16.942 -5.546 1.00 1.00 C ATOM 410 C LEU A 30 37.940 16.120 -4.313 1.00 1.00 C ATOM 411 O LEU A 30 37.280 16.228 -3.280 1.00 1.00 O ATOM 412 CB LEU A 30 36.349 16.350 -6.222 1.00 1.00 C ATOM 413 CG LEU A 30 36.579 14.865 -6.512 1.00 1.00 C ATOM 414 CD1 LEU A 30 35.824 14.017 -5.486 1.00 1.00 C ATOM 415 CD2 LEU A 30 36.065 14.533 -7.916 1.00 1.00 C ATOM 0 H LEU A 30 38.832 16.127 -7.029 1.00 1.00 H new ATOM 0 HA LEU A 30 37.378 17.965 -5.234 1.00 1.00 H new ATOM 0 HB2 LEU A 30 35.478 16.474 -5.579 1.00 1.00 H new ATOM 0 HB3 LEU A 30 36.139 16.883 -7.149 1.00 1.00 H new ATOM 0 HG LEU A 30 37.645 14.648 -6.450 1.00 1.00 H new ATOM 0 HD11 LEU A 30 35.990 12.960 -5.695 1.00 1.00 H new ATOM 0 HD12 LEU A 30 36.186 14.250 -4.485 1.00 1.00 H new ATOM 0 HD13 LEU A 30 34.758 14.236 -5.547 1.00 1.00 H new ATOM 0 HD21 LEU A 30 36.229 13.475 -8.123 1.00 1.00 H new ATOM 0 HD22 LEU A 30 34.999 14.753 -7.975 1.00 1.00 H new ATOM 0 HD23 LEU A 30 36.601 15.134 -8.651 1.00 1.00 H new ATOM 427 N ILE A 31 38.980 15.301 -4.422 1.00 1.00 N ATOM 428 CA ILE A 31 39.397 14.469 -3.297 1.00 1.00 C ATOM 429 C ILE A 31 39.839 15.329 -2.113 1.00 1.00 C ATOM 430 O ILE A 31 39.532 15.009 -0.965 1.00 1.00 O ATOM 431 CB ILE A 31 40.537 13.527 -3.706 1.00 1.00 C ATOM 432 CG1 ILE A 31 40.522 13.318 -5.223 1.00 1.00 C ATOM 433 CG2 ILE A 31 40.352 12.177 -3.006 1.00 1.00 C ATOM 434 CD1 ILE A 31 41.255 12.022 -5.566 1.00 1.00 C ATOM 0 H ILE A 31 39.544 15.195 -5.265 1.00 1.00 H new ATOM 0 HA ILE A 31 38.537 13.872 -2.995 1.00 1.00 H new ATOM 0 HB ILE A 31 41.490 13.968 -3.415 1.00 1.00 H new ATOM 0 HG12 ILE A 31 39.495 13.274 -5.585 1.00 1.00 H new ATOM 0 HG13 ILE A 31 41.000 14.161 -5.722 1.00 1.00 H new ATOM 0 HG21 ILE A 31 41.160 11.504 -3.294 1.00 1.00 H new ATOM 0 HG22 ILE A 31 40.368 12.322 -1.926 1.00 1.00 H new ATOM 0 HG23 ILE A 31 39.396 11.743 -3.300 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.245 11.873 -6.646 1.00 1.00 H new ATOM 0 HD12 ILE A 31 42.286 12.084 -5.218 1.00 1.00 H new ATOM 0 HD13 ILE A 31 40.758 11.183 -5.079 1.00 1.00 H new ATOM 446 N PRO A 32 40.547 16.406 -2.359 1.00 1.00 N ATOM 447 CA PRO A 32 41.024 17.311 -1.274 1.00 1.00 C ATOM 448 C PRO A 32 39.878 18.100 -0.646 1.00 1.00 C ATOM 449 O PRO A 32 40.072 19.217 -0.165 1.00 1.00 O ATOM 450 CB PRO A 32 42.015 18.259 -1.969 1.00 1.00 C ATOM 451 CG PRO A 32 42.186 17.751 -3.367 1.00 1.00 C ATOM 452 CD PRO A 32 40.970 16.884 -3.680 1.00 1.00 C ATOM 0 HA PRO A 32 41.477 16.751 -0.456 1.00 1.00 H new ATOM 0 HB2 PRO A 32 41.636 19.281 -1.972 1.00 1.00 H new ATOM 0 HB3 PRO A 32 42.970 18.275 -1.443 1.00 1.00 H new ATOM 0 HG2 PRO A 32 42.260 18.579 -4.072 1.00 1.00 H new ATOM 0 HG3 PRO A 32 43.105 17.172 -3.457 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.183 17.457 -4.171 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.225 16.058 -4.344 1.00 1.00 H new ATOM 460 N ALA A 33 38.684 17.514 -0.657 1.00 1.00 N ATOM 461 CA ALA A 33 37.515 18.177 -0.088 1.00 1.00 C ATOM 462 C ALA A 33 36.622 17.174 0.634 1.00 1.00 C ATOM 463 O ALA A 33 36.152 17.431 1.742 1.00 1.00 O ATOM 464 CB ALA A 33 36.715 18.862 -1.195 1.00 1.00 C ATOM 0 H ALA A 33 38.501 16.590 -1.050 1.00 1.00 H new ATOM 0 HA ALA A 33 37.860 18.921 0.630 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.844 19.355 -0.763 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.342 19.603 -1.692 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.388 18.118 -1.921 1.00 1.00 H new ATOM 470 N ILE A 34 36.386 16.035 -0.005 1.00 1.00 N ATOM 471 CA ILE A 34 35.542 15.002 0.583 1.00 1.00 C ATOM 472 C ILE A 34 36.324 14.189 1.610 1.00 1.00 C ATOM 473 O ILE A 34 35.737 13.528 2.467 1.00 1.00 O ATOM 474 CB ILE A 34 35.006 14.077 -0.512 1.00 1.00 C ATOM 475 CG1 ILE A 34 36.164 13.607 -1.394 1.00 1.00 C ATOM 476 CG2 ILE A 34 33.989 14.837 -1.366 1.00 1.00 C ATOM 477 CD1 ILE A 34 35.669 12.533 -2.363 1.00 1.00 C ATOM 0 H ILE A 34 36.764 15.804 -0.924 1.00 1.00 H new ATOM 0 HA ILE A 34 34.705 15.486 1.086 1.00 1.00 H new ATOM 0 HB ILE A 34 34.524 13.212 -0.055 1.00 1.00 H new ATOM 0 HG12 ILE A 34 36.576 14.449 -1.949 1.00 1.00 H new ATOM 0 HG13 ILE A 34 36.968 13.209 -0.774 1.00 1.00 H new ATOM 0 HG21 ILE A 34 33.606 14.180 -2.147 1.00 1.00 H new ATOM 0 HG22 ILE A 34 33.164 15.173 -0.737 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.471 15.701 -1.823 1.00 1.00 H new ATOM 0 HD11 ILE A 34 36.496 12.200 -2.990 1.00 1.00 H new ATOM 0 HD12 ILE A 34 35.278 11.686 -1.799 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.880 12.946 -2.992 1.00 1.00 H new ATOM 489 N TYR A 35 37.649 14.246 1.523 1.00 1.00 N ATOM 490 CA TYR A 35 38.496 13.513 2.457 1.00 1.00 C ATOM 491 C TYR A 35 38.816 14.375 3.674 1.00 1.00 C ATOM 492 O TYR A 35 39.008 13.863 4.778 1.00 1.00 O ATOM 493 CB TYR A 35 39.798 13.094 1.771 1.00 1.00 C ATOM 494 CG TYR A 35 40.965 13.761 2.457 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.280 15.094 2.165 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.732 13.049 3.388 1.00 1.00 C ATOM 497 CE1 TYR A 35 42.362 15.713 2.802 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.813 13.669 4.025 1.00 1.00 C ATOM 499 CZ TYR A 35 43.129 15.001 3.732 1.00 1.00 C ATOM 500 OH TYR A 35 44.194 15.612 4.361 1.00 1.00 O ATOM 0 H TYR A 35 38.156 14.787 0.822 1.00 1.00 H new ATOM 0 HA TYR A 35 37.958 12.623 2.783 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.910 12.010 1.810 1.00 1.00 H new ATOM 0 HB3 TYR A 35 39.773 13.374 0.718 1.00 1.00 H new ATOM 0 HD1 TYR A 35 40.688 15.644 1.448 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.489 12.021 3.614 1.00 1.00 H new ATOM 0 HE1 TYR A 35 42.605 16.741 2.576 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.404 13.120 4.743 1.00 1.00 H new ATOM 0 HH TYR A 35 44.618 14.978 4.976 1.00 1.00 H new ATOM 510 N MET A 36 38.871 15.687 3.466 1.00 1.00 N ATOM 511 CA MET A 36 39.166 16.611 4.556 1.00 1.00 C ATOM 512 C MET A 36 37.888 16.984 5.300 1.00 1.00 C ATOM 513 O MET A 36 37.929 17.370 6.468 1.00 1.00 O ATOM 514 CB MET A 36 39.833 17.874 4.005 1.00 1.00 C ATOM 515 CG MET A 36 38.769 18.810 3.427 1.00 1.00 C ATOM 516 SD MET A 36 38.126 19.879 4.738 1.00 1.00 S ATOM 517 CE MET A 36 39.067 21.362 4.305 1.00 1.00 C ATOM 0 H MET A 36 38.717 16.131 2.561 1.00 1.00 H new ATOM 0 HA MET A 36 39.846 16.120 5.252 1.00 1.00 H new ATOM 0 HB2 MET A 36 40.385 18.380 4.797 1.00 1.00 H new ATOM 0 HB3 MET A 36 40.555 17.608 3.233 1.00 1.00 H new ATOM 0 HG2 MET A 36 39.197 19.415 2.628 1.00 1.00 H new ATOM 0 HG3 MET A 36 37.959 18.229 2.987 1.00 1.00 H new ATOM 0 HE1 MET A 36 38.820 22.165 4.999 1.00 1.00 H new ATOM 0 HE2 MET A 36 40.134 21.146 4.364 1.00 1.00 H new ATOM 0 HE3 MET A 36 38.815 21.670 3.290 1.00 1.00 H new ATOM 527 N LEU A 37 36.755 16.863 4.616 1.00 1.00 N ATOM 528 CA LEU A 37 35.469 17.187 5.222 1.00 1.00 C ATOM 529 C LEU A 37 35.118 16.169 6.302 1.00 1.00 C ATOM 530 O LEU A 37 34.358 16.464 7.224 1.00 1.00 O ATOM 531 CB LEU A 37 34.373 17.193 4.152 1.00 1.00 C ATOM 532 CG LEU A 37 34.172 18.617 3.623 1.00 1.00 C ATOM 533 CD1 LEU A 37 33.290 18.575 2.375 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.496 19.488 4.691 1.00 1.00 C ATOM 0 H LEU A 37 36.701 16.545 3.648 1.00 1.00 H new ATOM 0 HA LEU A 37 35.540 18.176 5.675 1.00 1.00 H new ATOM 0 HB2 LEU A 37 34.647 16.527 3.334 1.00 1.00 H new ATOM 0 HB3 LEU A 37 33.440 16.816 4.572 1.00 1.00 H new ATOM 0 HG LEU A 37 35.144 19.044 3.377 1.00 1.00 H new ATOM 0 HD11 LEU A 37 33.146 19.587 1.997 1.00 1.00 H new ATOM 0 HD12 LEU A 37 33.772 17.967 1.609 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.323 18.141 2.628 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.358 20.498 4.304 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.526 19.062 4.947 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.123 19.524 5.582 1.00 1.00 H new ATOM 546 N VAL A 38 35.677 14.970 6.176 1.00 1.00 N ATOM 547 CA VAL A 38 35.418 13.911 7.144 1.00 1.00 C ATOM 548 C VAL A 38 36.250 14.120 8.406 1.00 1.00 C ATOM 549 O VAL A 38 36.060 13.430 9.407 1.00 1.00 O ATOM 550 CB VAL A 38 35.749 12.551 6.528 1.00 1.00 C ATOM 551 CG1 VAL A 38 35.773 11.485 7.624 1.00 1.00 C ATOM 552 CG2 VAL A 38 34.683 12.190 5.491 1.00 1.00 C ATOM 0 H VAL A 38 36.308 14.709 5.418 1.00 1.00 H new ATOM 0 HA VAL A 38 34.362 13.940 7.413 1.00 1.00 H new ATOM 0 HB VAL A 38 36.726 12.599 6.047 1.00 1.00 H new ATOM 0 HG11 VAL A 38 36.009 10.516 7.184 1.00 1.00 H new ATOM 0 HG12 VAL A 38 36.531 11.741 8.364 1.00 1.00 H new ATOM 0 HG13 VAL A 38 34.796 11.437 8.106 1.00 1.00 H new ATOM 0 HG21 VAL A 38 34.917 11.221 5.051 1.00 1.00 H new ATOM 0 HG22 VAL A 38 33.707 12.143 5.974 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.665 12.949 4.709 1.00 1.00 H new ATOM 562 N PHE A 39 37.171 15.076 8.350 1.00 1.00 N ATOM 563 CA PHE A 39 38.027 15.367 9.495 1.00 1.00 C ATOM 564 C PHE A 39 37.209 15.953 10.642 1.00 1.00 C ATOM 565 O PHE A 39 37.411 15.599 11.805 1.00 1.00 O ATOM 566 CB PHE A 39 39.125 16.353 9.092 1.00 1.00 C ATOM 567 CG PHE A 39 39.974 16.680 10.298 1.00 1.00 C ATOM 568 CD1 PHE A 39 40.876 15.733 10.796 1.00 1.00 C ATOM 569 CD2 PHE A 39 39.859 17.930 10.917 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.663 16.035 11.913 1.00 1.00 C ATOM 571 CE2 PHE A 39 40.645 18.232 12.035 1.00 1.00 C ATOM 572 CZ PHE A 39 41.547 17.285 12.533 1.00 1.00 C ATOM 0 H PHE A 39 37.344 15.659 7.531 1.00 1.00 H new ATOM 0 HA PHE A 39 38.483 14.435 9.828 1.00 1.00 H new ATOM 0 HB2 PHE A 39 39.743 15.923 8.304 1.00 1.00 H new ATOM 0 HB3 PHE A 39 38.681 17.263 8.688 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.965 14.769 10.318 1.00 1.00 H new ATOM 0 HD2 PHE A 39 39.164 18.661 10.532 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.360 15.304 12.297 1.00 1.00 H new ATOM 0 HE2 PHE A 39 40.555 19.196 12.513 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.154 17.518 13.396 1.00 1.00 H new ATOM 582 N LEU A 40 36.289 16.851 10.308 1.00 1.00 N ATOM 583 CA LEU A 40 35.448 17.479 11.321 1.00 1.00 C ATOM 584 C LEU A 40 34.219 16.621 11.606 1.00 1.00 C ATOM 585 O LEU A 40 33.378 16.980 12.431 1.00 1.00 O ATOM 586 CB LEU A 40 35.007 18.865 10.846 1.00 1.00 C ATOM 587 CG LEU A 40 34.316 18.743 9.488 1.00 1.00 C ATOM 588 CD1 LEU A 40 32.926 19.378 9.562 1.00 1.00 C ATOM 589 CD2 LEU A 40 35.150 19.467 8.427 1.00 1.00 C ATOM 0 H LEU A 40 36.107 17.159 9.353 1.00 1.00 H new ATOM 0 HA LEU A 40 36.028 17.577 12.239 1.00 1.00 H new ATOM 0 HB2 LEU A 40 34.328 19.311 11.573 1.00 1.00 H new ATOM 0 HB3 LEU A 40 35.870 19.526 10.769 1.00 1.00 H new ATOM 0 HG LEU A 40 34.220 17.690 9.223 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.434 19.291 8.593 1.00 1.00 H new ATOM 0 HD12 LEU A 40 32.332 18.865 10.318 1.00 1.00 H new ATOM 0 HD13 LEU A 40 33.021 20.431 9.827 1.00 1.00 H new ATOM 0 HD21 LEU A 40 34.659 19.381 7.458 1.00 1.00 H new ATOM 0 HD22 LEU A 40 35.244 20.520 8.694 1.00 1.00 H new ATOM 0 HD23 LEU A 40 36.141 19.016 8.373 1.00 1.00 H new ATOM 601 N LEU A 41 34.122 15.489 10.917 1.00 1.00 N ATOM 602 CA LEU A 41 32.992 14.584 11.103 1.00 1.00 C ATOM 603 C LEU A 41 33.473 13.139 11.191 1.00 1.00 C ATOM 604 O LEU A 41 32.768 12.214 10.789 1.00 1.00 O ATOM 605 CB LEU A 41 32.010 14.729 9.938 1.00 1.00 C ATOM 606 CG LEU A 41 31.197 16.012 10.112 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.016 16.692 8.753 1.00 1.00 C ATOM 608 CD2 LEU A 41 29.824 15.669 10.695 1.00 1.00 C ATOM 0 H LEU A 41 34.807 15.177 10.229 1.00 1.00 H new ATOM 0 HA LEU A 41 32.490 14.845 12.035 1.00 1.00 H new ATOM 0 HB2 LEU A 41 32.552 14.755 8.993 1.00 1.00 H new ATOM 0 HB3 LEU A 41 31.344 13.867 9.900 1.00 1.00 H new ATOM 0 HG LEU A 41 31.723 16.686 10.788 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.436 17.607 8.878 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.993 16.936 8.335 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.490 16.019 8.076 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.243 16.583 10.820 1.00 1.00 H new ATOM 0 HD22 LEU A 41 29.299 14.995 10.018 1.00 1.00 H new ATOM 0 HD23 LEU A 41 29.951 15.185 11.663 1.00 1.00 H new ATOM 620 N GLY A 42 34.677 12.955 11.720 1.00 1.00 N ATOM 621 CA GLY A 42 35.246 11.619 11.858 1.00 1.00 C ATOM 622 C GLY A 42 35.927 11.457 13.212 1.00 1.00 C ATOM 623 O GLY A 42 36.512 10.413 13.504 1.00 1.00 O ATOM 0 H GLY A 42 35.275 13.709 12.059 1.00 1.00 H new ATOM 0 HA2 GLY A 42 34.460 10.871 11.750 1.00 1.00 H new ATOM 0 HA3 GLY A 42 35.967 11.442 11.060 1.00 1.00 H new ATOM 627 N THR A 43 35.844 12.495 14.036 1.00 1.00 N ATOM 628 CA THR A 43 36.453 12.460 15.360 1.00 1.00 C ATOM 629 C THR A 43 35.936 13.613 16.212 1.00 1.00 C ATOM 630 O THR A 43 35.500 13.414 17.346 1.00 1.00 O ATOM 631 CB THR A 43 37.976 12.556 15.240 1.00 1.00 C ATOM 632 OG1 THR A 43 38.507 11.274 14.936 1.00 1.00 O ATOM 633 CG2 THR A 43 38.563 13.055 16.559 1.00 1.00 C ATOM 0 H THR A 43 35.364 13.367 13.812 1.00 1.00 H new ATOM 0 HA THR A 43 36.187 11.517 15.838 1.00 1.00 H new ATOM 0 HB THR A 43 38.235 13.254 14.444 1.00 1.00 H new ATOM 0 HG1 THR A 43 37.778 10.669 14.685 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.647 13.123 16.472 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.155 14.039 16.790 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.306 12.360 17.358 1.00 1.00 H new ATOM 641 N THR A 44 35.983 14.819 15.655 1.00 1.00 N ATOM 642 CA THR A 44 35.512 15.998 16.370 1.00 1.00 C ATOM 643 C THR A 44 34.058 15.816 16.794 1.00 1.00 C ATOM 644 O THR A 44 33.492 16.662 17.486 1.00 1.00 O ATOM 645 CB THR A 44 35.638 17.234 15.473 1.00 1.00 C ATOM 646 OG1 THR A 44 37.012 17.551 15.299 1.00 1.00 O ATOM 647 CG2 THR A 44 34.918 18.416 16.123 1.00 1.00 C ATOM 0 H THR A 44 36.340 15.004 14.718 1.00 1.00 H new ATOM 0 HA THR A 44 36.124 16.134 17.262 1.00 1.00 H new ATOM 0 HB THR A 44 35.186 17.027 14.503 1.00 1.00 H new ATOM 0 HG1 THR A 44 37.095 18.340 14.724 1.00 1.00 H new ATOM 0 HG21 THR A 44 35.009 19.294 15.483 1.00 1.00 H new ATOM 0 HG22 THR A 44 33.864 18.172 16.256 1.00 1.00 H new ATOM 0 HG23 THR A 44 35.367 18.626 17.094 1.00 1.00 H new ATOM 655 N GLY A 45 33.462 14.706 16.370 1.00 1.00 N ATOM 656 CA GLY A 45 32.074 14.414 16.705 1.00 1.00 C ATOM 657 C GLY A 45 31.755 14.828 18.138 1.00 1.00 C ATOM 658 O GLY A 45 31.098 15.843 18.368 1.00 1.00 O ATOM 0 H GLY A 45 33.917 13.997 15.796 1.00 1.00 H new ATOM 0 HA2 GLY A 45 31.412 14.939 16.016 1.00 1.00 H new ATOM 0 HA3 GLY A 45 31.883 13.348 16.580 1.00 1.00 H new ATOM 662 N ASN A 46 32.219 14.035 19.099 1.00 1.00 N ATOM 663 CA ASN A 46 31.969 14.331 20.499 1.00 1.00 C ATOM 664 C ASN A 46 32.728 13.361 21.400 1.00 1.00 C ATOM 665 O ASN A 46 32.662 12.146 21.215 1.00 1.00 O ATOM 666 CB ASN A 46 30.475 14.216 20.780 1.00 1.00 C ATOM 667 CG ASN A 46 30.220 14.260 22.281 1.00 1.00 C ATOM 668 OD1 ASN A 46 29.457 13.449 22.807 1.00 1.00 O ATOM 669 ND2 ASN A 46 30.818 15.163 23.009 1.00 1.00 N ATOM 0 H ASN A 46 32.765 13.190 18.933 1.00 1.00 H new ATOM 0 HA ASN A 46 32.313 15.344 20.708 1.00 1.00 H new ATOM 0 HB2 ASN A 46 29.941 15.029 20.289 1.00 1.00 H new ATOM 0 HB3 ASN A 46 30.090 13.285 20.365 1.00 1.00 H new ATOM 0 HD21 ASN A 46 30.654 15.198 24.015 1.00 1.00 H new ATOM 0 HD22 ASN A 46 31.450 15.834 22.572 1.00 1.00 H new ATOM 676 N GLY A 47 33.441 13.910 22.377 1.00 1.00 N ATOM 677 CA GLY A 47 34.208 13.089 23.310 1.00 1.00 C ATOM 678 C GLY A 47 35.704 13.207 23.041 1.00 1.00 C ATOM 679 O GLY A 47 36.509 13.249 23.971 1.00 1.00 O ATOM 0 H GLY A 47 33.505 14.914 22.544 1.00 1.00 H new ATOM 0 HA2 GLY A 47 33.994 13.398 24.333 1.00 1.00 H new ATOM 0 HA3 GLY A 47 33.900 12.047 23.221 1.00 1.00 H new ATOM 683 N LEU A 48 36.069 13.257 21.766 1.00 1.00 N ATOM 684 CA LEU A 48 37.473 13.368 21.388 1.00 1.00 C ATOM 685 C LEU A 48 37.926 14.823 21.445 1.00 1.00 C ATOM 686 O LEU A 48 39.113 15.120 21.311 1.00 1.00 O ATOM 687 CB LEU A 48 37.678 12.822 19.971 1.00 1.00 C ATOM 688 CG LEU A 48 37.684 11.286 19.991 1.00 1.00 C ATOM 689 CD1 LEU A 48 38.926 10.762 20.724 1.00 1.00 C ATOM 690 CD2 LEU A 48 36.427 10.783 20.705 1.00 1.00 C ATOM 0 H LEU A 48 35.418 13.223 20.981 1.00 1.00 H new ATOM 0 HA LEU A 48 38.068 12.785 22.091 1.00 1.00 H new ATOM 0 HB2 LEU A 48 36.884 13.181 19.316 1.00 1.00 H new ATOM 0 HB3 LEU A 48 38.619 13.192 19.563 1.00 1.00 H new ATOM 0 HG LEU A 48 37.701 10.922 18.964 1.00 1.00 H new ATOM 0 HD11 LEU A 48 38.913 9.672 20.728 1.00 1.00 H new ATOM 0 HD12 LEU A 48 39.824 11.112 20.215 1.00 1.00 H new ATOM 0 HD13 LEU A 48 38.924 11.129 21.750 1.00 1.00 H new ATOM 0 HD21 LEU A 48 36.429 9.693 20.720 1.00 1.00 H new ATOM 0 HD22 LEU A 48 36.414 11.160 21.727 1.00 1.00 H new ATOM 0 HD23 LEU A 48 35.542 11.137 20.176 1.00 1.00 H new ATOM 702 N VAL A 49 36.972 15.727 21.646 1.00 1.00 N ATOM 703 CA VAL A 49 37.285 17.149 21.722 1.00 1.00 C ATOM 704 C VAL A 49 37.578 17.557 23.161 1.00 1.00 C ATOM 705 O VAL A 49 37.720 18.742 23.463 1.00 1.00 O ATOM 706 CB VAL A 49 36.112 17.971 21.185 1.00 1.00 C ATOM 707 CG1 VAL A 49 35.850 17.598 19.725 1.00 1.00 C ATOM 708 CG2 VAL A 49 34.861 17.677 22.017 1.00 1.00 C ATOM 0 H VAL A 49 35.983 15.502 21.758 1.00 1.00 H new ATOM 0 HA VAL A 49 38.170 17.340 21.115 1.00 1.00 H new ATOM 0 HB VAL A 49 36.354 19.032 21.250 1.00 1.00 H new ATOM 0 HG11 VAL A 49 35.014 18.185 19.344 1.00 1.00 H new ATOM 0 HG12 VAL A 49 36.740 17.806 19.131 1.00 1.00 H new ATOM 0 HG13 VAL A 49 35.609 16.537 19.658 1.00 1.00 H new ATOM 0 HG21 VAL A 49 34.024 18.262 21.635 1.00 1.00 H new ATOM 0 HG22 VAL A 49 34.621 16.616 21.951 1.00 1.00 H new ATOM 0 HG23 VAL A 49 35.045 17.943 23.058 1.00 1.00 H new ATOM 718 N LEU A 50 37.667 16.565 24.044 1.00 1.00 N ATOM 719 CA LEU A 50 37.944 16.822 25.453 1.00 1.00 C ATOM 720 C LEU A 50 39.126 15.983 25.927 1.00 1.00 C ATOM 721 O LEU A 50 39.522 16.054 27.091 1.00 1.00 O ATOM 722 CB LEU A 50 36.711 16.489 26.297 1.00 1.00 C ATOM 723 CG LEU A 50 35.561 17.422 25.915 1.00 1.00 C ATOM 724 CD1 LEU A 50 34.331 16.593 25.546 1.00 1.00 C ATOM 725 CD2 LEU A 50 35.227 18.330 27.100 1.00 1.00 C ATOM 0 H LEU A 50 37.552 15.579 23.809 1.00 1.00 H new ATOM 0 HA LEU A 50 38.190 17.877 25.569 1.00 1.00 H new ATOM 0 HB2 LEU A 50 36.419 15.451 26.138 1.00 1.00 H new ATOM 0 HB3 LEU A 50 36.943 16.596 27.357 1.00 1.00 H new ATOM 0 HG LEU A 50 35.857 18.032 25.061 1.00 1.00 H new ATOM 0 HD11 LEU A 50 33.512 17.259 25.274 1.00 1.00 H new ATOM 0 HD12 LEU A 50 34.568 15.946 24.702 1.00 1.00 H new ATOM 0 HD13 LEU A 50 34.034 15.983 26.399 1.00 1.00 H new ATOM 0 HD21 LEU A 50 34.407 18.995 26.829 1.00 1.00 H new ATOM 0 HD22 LEU A 50 34.932 17.720 27.954 1.00 1.00 H new ATOM 0 HD23 LEU A 50 36.103 18.922 27.363 1.00 1.00 H new ATOM 737 N TRP A 51 39.684 15.191 25.019 1.00 1.00 N ATOM 738 CA TRP A 51 40.822 14.341 25.355 1.00 1.00 C ATOM 739 C TRP A 51 42.129 15.008 24.940 1.00 1.00 C ATOM 740 O TRP A 51 42.892 15.480 25.785 1.00 1.00 O ATOM 741 CB TRP A 51 40.691 12.990 24.651 1.00 1.00 C ATOM 742 CG TRP A 51 42.022 12.313 24.619 1.00 1.00 C ATOM 743 CD1 TRP A 51 42.715 11.908 25.709 1.00 1.00 C ATOM 744 CD2 TRP A 51 42.834 11.956 23.463 1.00 1.00 C ATOM 745 NE1 TRP A 51 43.899 11.324 25.295 1.00 1.00 N ATOM 746 CE2 TRP A 51 44.018 11.330 23.919 1.00 1.00 C ATOM 747 CE3 TRP A 51 42.658 12.112 22.076 1.00 1.00 C ATOM 748 CZ2 TRP A 51 44.994 10.876 23.031 1.00 1.00 C ATOM 749 CZ3 TRP A 51 43.639 11.656 21.179 1.00 1.00 C ATOM 750 CH2 TRP A 51 44.805 11.039 21.656 1.00 1.00 C ATOM 0 H TRP A 51 39.371 15.119 24.051 1.00 1.00 H new ATOM 0 HA TRP A 51 40.831 14.188 26.434 1.00 1.00 H new ATOM 0 HB2 TRP A 51 39.966 12.365 25.172 1.00 1.00 H new ATOM 0 HB3 TRP A 51 40.319 13.131 23.636 1.00 1.00 H new ATOM 0 HD1 TRP A 51 42.396 12.022 26.734 1.00 1.00 H new ATOM 0 HE1 TRP A 51 44.598 10.937 25.928 1.00 1.00 H new ATOM 0 HE3 TRP A 51 41.764 12.585 21.698 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 45.890 10.402 23.404 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 43.494 11.781 20.116 1.00 1.00 H new ATOM 0 HH2 TRP A 51 45.555 10.691 20.962 1.00 1.00 H new ATOM 761 N THR A 52 42.383 15.043 23.637 1.00 1.00 N ATOM 762 CA THR A 52 43.602 15.654 23.121 1.00 1.00 C ATOM 763 C THR A 52 43.787 17.053 23.701 1.00 1.00 C ATOM 764 O THR A 52 44.874 17.408 24.156 1.00 1.00 O ATOM 765 CB THR A 52 43.541 15.737 21.594 1.00 1.00 C ATOM 766 OG1 THR A 52 44.279 16.867 21.154 1.00 1.00 O ATOM 767 CG2 THR A 52 42.085 15.868 21.145 1.00 1.00 C ATOM 0 H THR A 52 41.765 14.658 22.922 1.00 1.00 H new ATOM 0 HA THR A 52 44.449 15.035 23.417 1.00 1.00 H new ATOM 0 HB THR A 52 43.970 14.832 21.163 1.00 1.00 H new ATOM 0 HG1 THR A 52 44.242 16.921 20.176 1.00 1.00 H new ATOM 0 HG21 THR A 52 42.044 15.927 20.057 1.00 1.00 H new ATOM 0 HG22 THR A 52 41.520 14.999 21.483 1.00 1.00 H new ATOM 0 HG23 THR A 52 41.652 16.771 21.574 1.00 1.00 H new ATOM 775 N VAL A 53 42.718 17.842 23.681 1.00 1.00 N ATOM 776 CA VAL A 53 42.773 19.202 24.207 1.00 1.00 C ATOM 777 C VAL A 53 43.242 19.195 25.659 1.00 1.00 C ATOM 778 O VAL A 53 43.477 20.248 26.250 1.00 1.00 O ATOM 779 CB VAL A 53 41.392 19.852 24.117 1.00 1.00 C ATOM 780 CG1 VAL A 53 41.452 21.260 24.712 1.00 1.00 C ATOM 781 CG2 VAL A 53 40.964 19.938 22.651 1.00 1.00 C ATOM 0 H VAL A 53 41.809 17.566 23.309 1.00 1.00 H new ATOM 0 HA VAL A 53 43.483 19.775 23.611 1.00 1.00 H new ATOM 0 HB VAL A 53 40.671 19.252 24.672 1.00 1.00 H new ATOM 0 HG11 VAL A 53 40.468 21.724 24.648 1.00 1.00 H new ATOM 0 HG12 VAL A 53 41.758 21.201 25.756 1.00 1.00 H new ATOM 0 HG13 VAL A 53 42.173 21.860 24.156 1.00 1.00 H new ATOM 0 HG21 VAL A 53 39.979 20.401 22.586 1.00 1.00 H new ATOM 0 HG22 VAL A 53 41.685 20.538 22.096 1.00 1.00 H new ATOM 0 HG23 VAL A 53 40.922 18.936 22.225 1.00 1.00 H new ATOM 791 N PHE A 54 43.375 18.000 26.226 1.00 1.00 N ATOM 792 CA PHE A 54 43.817 17.869 27.610 1.00 1.00 C ATOM 793 C PHE A 54 45.298 17.509 27.667 1.00 1.00 C ATOM 794 O PHE A 54 45.834 17.217 28.736 1.00 1.00 O ATOM 795 CB PHE A 54 42.999 16.787 28.318 1.00 1.00 C ATOM 796 CG PHE A 54 43.031 17.026 29.808 1.00 1.00 C ATOM 797 CD1 PHE A 54 42.257 18.047 30.370 1.00 1.00 C ATOM 798 CD2 PHE A 54 43.835 16.225 30.629 1.00 1.00 C ATOM 799 CE1 PHE A 54 42.286 18.269 31.752 1.00 1.00 C ATOM 800 CE2 PHE A 54 43.864 16.446 32.010 1.00 1.00 C ATOM 801 CZ PHE A 54 43.090 17.469 32.573 1.00 1.00 C ATOM 0 H PHE A 54 43.185 17.116 25.754 1.00 1.00 H new ATOM 0 HA PHE A 54 43.668 18.825 28.112 1.00 1.00 H new ATOM 0 HB2 PHE A 54 41.970 16.801 27.959 1.00 1.00 H new ATOM 0 HB3 PHE A 54 43.404 15.801 28.088 1.00 1.00 H new ATOM 0 HD1 PHE A 54 41.637 18.664 29.737 1.00 1.00 H new ATOM 0 HD2 PHE A 54 44.433 15.437 30.196 1.00 1.00 H new ATOM 0 HE1 PHE A 54 41.688 19.057 32.185 1.00 1.00 H new ATOM 0 HE2 PHE A 54 44.483 15.828 32.643 1.00 1.00 H new ATOM 0 HZ PHE A 54 43.113 17.640 33.639 1.00 1.00 H new ATOM 811 N ARG A 55 45.954 17.534 26.511 1.00 1.00 N ATOM 812 CA ARG A 55 47.373 17.209 26.442 1.00 1.00 C ATOM 813 C ARG A 55 47.953 17.625 25.094 1.00 1.00 C ATOM 814 O ARG A 55 48.093 16.804 24.188 1.00 1.00 O ATOM 815 CB ARG A 55 47.576 15.706 26.646 1.00 1.00 C ATOM 816 CG ARG A 55 46.788 14.937 25.584 1.00 1.00 C ATOM 817 CD ARG A 55 45.858 13.932 26.265 1.00 1.00 C ATOM 818 NE ARG A 55 46.633 12.984 27.057 1.00 1.00 N ATOM 819 CZ ARG A 55 47.271 11.969 26.483 1.00 1.00 C ATOM 820 NH1 ARG A 55 47.210 11.808 25.190 1.00 1.00 N ATOM 821 NH2 ARG A 55 47.959 11.134 27.214 1.00 1.00 N ATOM 0 H ARG A 55 45.529 17.774 25.616 1.00 1.00 H new ATOM 0 HA ARG A 55 47.890 17.755 27.231 1.00 1.00 H new ATOM 0 HB2 ARG A 55 48.635 15.459 26.578 1.00 1.00 H new ATOM 0 HB3 ARG A 55 47.244 15.415 27.643 1.00 1.00 H new ATOM 0 HG2 ARG A 55 46.208 15.630 24.974 1.00 1.00 H new ATOM 0 HG3 ARG A 55 47.473 14.418 24.913 1.00 1.00 H new ATOM 0 HD2 ARG A 55 45.149 14.457 26.905 1.00 1.00 H new ATOM 0 HD3 ARG A 55 45.275 13.399 25.514 1.00 1.00 H new ATOM 0 HE ARG A 55 46.686 13.102 28.069 1.00 1.00 H new ATOM 0 HH11 ARG A 55 46.673 12.461 24.620 1.00 1.00 H new ATOM 0 HH12 ARG A 55 47.700 11.029 24.749 1.00 1.00 H new ATOM 0 HH21 ARG A 55 48.007 11.261 28.225 1.00 1.00 H new ATOM 0 HH22 ARG A 55 48.449 10.355 26.774 1.00 1.00 H new ATOM 835 N LYS A 56 48.289 18.905 24.970 1.00 1.00 N ATOM 836 CA LYS A 56 48.853 19.419 23.727 1.00 1.00 C ATOM 837 C LYS A 56 49.496 20.784 23.955 1.00 1.00 C ATOM 838 O LYS A 56 50.511 21.112 23.341 1.00 1.00 O ATOM 839 CB LYS A 56 47.758 19.539 22.665 1.00 1.00 C ATOM 840 CG LYS A 56 46.667 20.492 23.160 1.00 1.00 C ATOM 841 CD LYS A 56 46.810 21.845 22.459 1.00 1.00 C ATOM 842 CE LYS A 56 46.290 21.737 21.023 1.00 1.00 C ATOM 843 NZ LYS A 56 47.232 22.433 20.101 1.00 1.00 N ATOM 0 H LYS A 56 48.182 19.600 25.708 1.00 1.00 H new ATOM 0 HA LYS A 56 49.617 18.723 23.382 1.00 1.00 H new ATOM 0 HB2 LYS A 56 48.182 19.908 21.731 1.00 1.00 H new ATOM 0 HB3 LYS A 56 47.331 18.558 22.456 1.00 1.00 H new ATOM 0 HG2 LYS A 56 45.683 20.069 22.959 1.00 1.00 H new ATOM 0 HG3 LYS A 56 46.745 20.620 24.240 1.00 1.00 H new ATOM 0 HD2 LYS A 56 46.252 22.608 23.002 1.00 1.00 H new ATOM 0 HD3 LYS A 56 47.855 22.156 22.456 1.00 1.00 H new ATOM 0 HE2 LYS A 56 46.192 20.690 20.738 1.00 1.00 H new ATOM 0 HE3 LYS A 56 45.297 22.181 20.950 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 46.880 22.360 19.125 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 47.304 23.435 20.370 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 48.171 21.990 20.164 1.00 1.00 H new ATOM 857 N LYS A 57 48.899 21.574 24.840 1.00 1.00 N ATOM 858 CA LYS A 57 49.421 22.902 25.141 1.00 1.00 C ATOM 859 C LYS A 57 50.856 22.810 25.652 1.00 1.00 C ATOM 860 O LYS A 57 51.532 23.825 25.817 1.00 1.00 O ATOM 861 CB LYS A 57 48.545 23.582 26.193 1.00 1.00 C ATOM 862 CG LYS A 57 48.465 22.700 27.440 1.00 1.00 C ATOM 863 CD LYS A 57 49.156 23.404 28.610 1.00 1.00 C ATOM 864 CE LYS A 57 48.346 24.638 29.014 1.00 1.00 C ATOM 865 NZ LYS A 57 47.772 24.431 30.374 1.00 1.00 N ATOM 0 H LYS A 57 48.058 21.320 25.359 1.00 1.00 H new ATOM 0 HA LYS A 57 49.411 23.492 24.225 1.00 1.00 H new ATOM 0 HB2 LYS A 57 48.959 24.557 26.451 1.00 1.00 H new ATOM 0 HB3 LYS A 57 47.546 23.755 25.793 1.00 1.00 H new ATOM 0 HG2 LYS A 57 47.423 22.497 27.688 1.00 1.00 H new ATOM 0 HG3 LYS A 57 48.940 21.738 27.249 1.00 1.00 H new ATOM 0 HD2 LYS A 57 49.247 22.723 29.456 1.00 1.00 H new ATOM 0 HD3 LYS A 57 50.167 23.696 28.326 1.00 1.00 H new ATOM 0 HE2 LYS A 57 48.983 25.523 29.007 1.00 1.00 H new ATOM 0 HE3 LYS A 57 47.547 24.814 28.293 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 47.221 25.269 30.650 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 47.152 23.596 30.366 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 48.542 24.283 31.057 1.00 1.00 H new ATOM 879 N GLY A 58 51.312 21.587 25.901 1.00 1.00 N ATOM 880 CA GLY A 58 52.669 21.374 26.394 1.00 1.00 C ATOM 881 C GLY A 58 52.974 22.302 27.566 1.00 1.00 C ATOM 882 O GLY A 58 53.977 23.014 27.560 1.00 1.00 O ATOM 0 H GLY A 58 50.768 20.734 25.771 1.00 1.00 H new ATOM 0 HA2 GLY A 58 52.788 20.336 26.706 1.00 1.00 H new ATOM 0 HA3 GLY A 58 53.384 21.549 25.590 1.00 1.00 H new ATOM 886 N HIS A 59 52.101 22.285 28.569 1.00 1.00 N ATOM 887 CA HIS A 59 52.288 23.130 29.743 1.00 1.00 C ATOM 888 C HIS A 59 52.620 24.560 29.329 1.00 1.00 C ATOM 889 O HIS A 59 53.079 25.361 30.142 1.00 1.00 O ATOM 890 CB HIS A 59 53.417 22.573 30.613 1.00 1.00 C ATOM 891 CG HIS A 59 53.774 21.189 30.146 1.00 1.00 C ATOM 892 ND1 HIS A 59 55.013 20.889 29.600 1.00 1.00 N ATOM 893 CD2 HIS A 59 53.066 20.012 30.137 1.00 1.00 C ATOM 894 CE1 HIS A 59 55.013 19.580 29.288 1.00 1.00 C ATOM 895 NE2 HIS A 59 53.851 18.998 29.596 1.00 1.00 N ATOM 0 H HIS A 59 51.265 21.701 28.593 1.00 1.00 H new ATOM 0 HA HIS A 59 51.359 23.137 30.313 1.00 1.00 H new ATOM 0 HB2 HIS A 59 54.289 23.224 30.556 1.00 1.00 H new ATOM 0 HB3 HIS A 59 53.107 22.547 31.658 1.00 1.00 H new ATOM 0 HD2 HIS A 59 52.054 19.892 30.495 1.00 1.00 H new ATOM 0 HE1 HIS A 59 55.850 19.063 28.843 1.00 1.00 H new ATOM 0 HE2 HIS A 59 53.594 18.020 29.463 1.00 1.00 H new ATOM 903 N HIS A 60 52.386 24.872 28.058 1.00 1.00 N ATOM 904 CA HIS A 60 52.663 26.208 27.547 1.00 1.00 C ATOM 905 C HIS A 60 51.377 27.022 27.444 1.00 1.00 C ATOM 906 O HIS A 60 50.580 26.827 26.527 1.00 1.00 O ATOM 907 CB HIS A 60 53.321 26.114 26.169 1.00 1.00 C ATOM 908 CG HIS A 60 54.595 26.913 26.166 1.00 1.00 C ATOM 909 ND1 HIS A 60 55.830 26.333 25.920 1.00 1.00 N ATOM 910 CD2 HIS A 60 54.843 28.247 26.375 1.00 1.00 C ATOM 911 CE1 HIS A 60 56.757 27.307 25.988 1.00 1.00 C ATOM 912 NE2 HIS A 60 56.208 28.494 26.263 1.00 1.00 N ATOM 0 H HIS A 60 52.008 24.223 27.368 1.00 1.00 H new ATOM 0 HA HIS A 60 53.340 26.707 28.240 1.00 1.00 H new ATOM 0 HB2 HIS A 60 53.532 25.073 25.925 1.00 1.00 H new ATOM 0 HB3 HIS A 60 52.642 26.490 25.404 1.00 1.00 H new ATOM 0 HD2 HIS A 60 54.092 28.992 26.593 1.00 1.00 H new ATOM 0 HE1 HIS A 60 57.815 27.148 25.839 1.00 1.00 H new ATOM 0 HE2 HIS A 60 56.687 29.389 26.368 1.00 1.00 H new ATOM 920 N HIS A 61 51.183 27.933 28.392 1.00 1.00 N ATOM 921 CA HIS A 61 49.988 28.771 28.398 1.00 1.00 C ATOM 922 C HIS A 61 50.302 30.156 27.841 1.00 1.00 C ATOM 923 O HIS A 61 49.537 31.101 28.033 1.00 1.00 O ATOM 924 CB HIS A 61 49.449 28.902 29.823 1.00 1.00 C ATOM 925 CG HIS A 61 47.946 28.932 29.792 1.00 1.00 C ATOM 926 ND1 HIS A 61 47.214 29.944 30.390 1.00 1.00 N ATOM 927 CD2 HIS A 61 47.023 28.080 29.236 1.00 1.00 C ATOM 928 CE1 HIS A 61 45.911 29.681 30.184 1.00 1.00 C ATOM 929 NE2 HIS A 61 45.738 28.555 29.485 1.00 1.00 N ATOM 0 H HIS A 61 51.831 28.110 29.160 1.00 1.00 H new ATOM 0 HA HIS A 61 49.234 28.301 27.767 1.00 1.00 H new ATOM 0 HB2 HIS A 61 49.794 28.066 30.431 1.00 1.00 H new ATOM 0 HB3 HIS A 61 49.832 29.812 30.285 1.00 1.00 H new ATOM 0 HD2 HIS A 61 47.258 27.179 28.689 1.00 1.00 H new ATOM 0 HE1 HIS A 61 45.103 30.304 30.540 1.00 1.00 H new ATOM 0 HE2 HIS A 61 44.855 28.134 29.196 1.00 1.00 H new ATOM 937 N HIS A 62 51.432 30.267 27.149 1.00 1.00 N ATOM 938 CA HIS A 62 51.837 31.542 26.568 1.00 1.00 C ATOM 939 C HIS A 62 52.755 31.318 25.371 1.00 1.00 C ATOM 940 O HIS A 62 52.504 30.446 24.539 1.00 1.00 O ATOM 941 CB HIS A 62 52.560 32.388 27.618 1.00 1.00 C ATOM 942 CG HIS A 62 52.529 33.834 27.206 1.00 1.00 C ATOM 943 ND1 HIS A 62 52.293 34.225 25.896 1.00 1.00 N ATOM 944 CD2 HIS A 62 52.700 34.995 27.919 1.00 1.00 C ATOM 945 CE1 HIS A 62 52.329 35.569 25.862 1.00 1.00 C ATOM 946 NE2 HIS A 62 52.574 36.090 27.068 1.00 1.00 N ATOM 0 H HIS A 62 52.078 29.497 26.978 1.00 1.00 H new ATOM 0 HA HIS A 62 50.943 32.067 26.232 1.00 1.00 H new ATOM 0 HB2 HIS A 62 52.083 32.266 28.590 1.00 1.00 H new ATOM 0 HB3 HIS A 62 53.591 32.051 27.724 1.00 1.00 H new ATOM 0 HD2 HIS A 62 52.902 35.050 28.979 1.00 1.00 H new ATOM 0 HE1 HIS A 62 52.178 36.156 24.968 1.00 1.00 H new ATOM 0 HE2 HIS A 62 52.652 37.077 27.313 1.00 1.00 H new ATOM 954 N HIS A 63 53.819 32.111 25.292 1.00 1.00 N ATOM 955 CA HIS A 63 54.767 31.989 24.191 1.00 1.00 C ATOM 956 C HIS A 63 56.056 32.740 24.510 1.00 1.00 C ATOM 957 O HIS A 63 56.432 33.675 23.803 1.00 1.00 O ATOM 958 CB HIS A 63 54.153 32.548 22.907 1.00 1.00 C ATOM 959 CG HIS A 63 54.999 32.147 21.730 1.00 1.00 C ATOM 960 ND1 HIS A 63 55.033 30.846 21.253 1.00 1.00 N ATOM 961 CD2 HIS A 63 55.846 32.864 20.921 1.00 1.00 C ATOM 962 CE1 HIS A 63 55.876 30.819 20.205 1.00 1.00 C ATOM 963 NE2 HIS A 63 56.399 32.023 19.960 1.00 1.00 N ATOM 0 H HIS A 63 54.045 32.838 25.971 1.00 1.00 H new ATOM 0 HA HIS A 63 54.999 30.933 24.051 1.00 1.00 H new ATOM 0 HB2 HIS A 63 53.137 32.172 22.783 1.00 1.00 H new ATOM 0 HB3 HIS A 63 54.086 33.634 22.967 1.00 1.00 H new ATOM 0 HD2 HIS A 63 56.052 33.920 21.016 1.00 1.00 H new ATOM 0 HE1 HIS A 63 56.102 29.932 19.632 1.00 1.00 H new ATOM 0 HE2 HIS A 63 57.062 32.273 19.226 1.00 1.00 H new ATOM 971 N HIS A 64 56.730 32.324 25.577 1.00 1.00 N ATOM 972 CA HIS A 64 57.975 32.965 25.980 1.00 1.00 C ATOM 973 C HIS A 64 58.925 33.085 24.793 1.00 1.00 C ATOM 974 O HIS A 64 58.761 32.329 23.849 1.00 1.00 O ATOM 975 CB HIS A 64 58.645 32.154 27.091 1.00 1.00 C ATOM 976 CG HIS A 64 58.696 32.974 28.351 1.00 1.00 C ATOM 977 ND1 HIS A 64 59.675 33.930 28.571 1.00 1.00 N ATOM 978 CD2 HIS A 64 57.896 32.992 29.466 1.00 1.00 C ATOM 979 CE1 HIS A 64 59.441 34.480 29.777 1.00 1.00 C ATOM 980 NE2 HIS A 64 58.368 33.944 30.366 1.00 1.00 N ATOM 981 OXT HIS A 64 59.802 33.931 24.844 1.00 1.00 O ATOM 0 H HIS A 64 56.437 31.551 26.174 1.00 1.00 H new ATOM 0 HA HIS A 64 57.744 33.964 26.349 1.00 1.00 H new ATOM 0 HB2 HIS A 64 58.091 31.232 27.267 1.00 1.00 H new ATOM 0 HB3 HIS A 64 59.653 31.868 26.790 1.00 1.00 H new ATOM 0 HD2 HIS A 64 57.032 32.363 29.622 1.00 1.00 H new ATOM 0 HE1 HIS A 64 60.047 35.259 30.215 1.00 1.00 H new ATOM 0 HE2 HIS A 64 57.979 34.181 31.278 1.00 1.00 H new TER 989 HIS A 64