USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 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 Set 1.1: A 43 THR OG1 : rot -114:sc= 0.262 USER MOD Set 1.2: A 44 THR OG1 : rot 119:sc= -1.46! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= -1.23 (180deg=-1.4) USER MOD Single : A 9 ASN : amide:sc= 0.495 X(o=0.49,f=-0.005) 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= -1.13 K(o=-1.1,f=-4.9!) 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 106:sc= 0.676 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 83:sc= 0.205 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 46 ASN : amide:sc= -6.71! C(o=-6.7!,f=-9.5!) USER MOD Single : A 52 THR OG1 : rot 30:sc= 0.969 USER MOD Single : A 56 LYS NZ :NH3+ 158:sc= -0.967 (180deg=-1.84!) USER MOD Single : A 57 LYS NZ :NH3+ -126:sc= -0.372 (180deg=-5.68!) USER MOD Single : A 59 HIS : no HD1:sc= -0.311 X(o=-0.31,f=-0.25) USER MOD Single : A 60 HIS : no HD1:sc= -0.236 K(o=-0.24,f=-1) USER MOD Single : A 61 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 62 HIS : no HD1:sc=-0.00566 X(o=-0.0057,f=-0.27) USER MOD Single : A 63 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-3.8!) USER MOD Single : A 64 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 74.999 5.899 -1.210 1.00 1.00 N ATOM 2 CA MET A 1 74.094 6.464 -2.250 1.00 1.00 C ATOM 3 C MET A 1 72.732 6.758 -1.631 1.00 1.00 C ATOM 4 O MET A 1 71.716 6.790 -2.326 1.00 1.00 O ATOM 5 CB MET A 1 73.941 5.456 -3.392 1.00 1.00 C ATOM 6 CG MET A 1 75.324 5.062 -3.913 1.00 1.00 C ATOM 7 SD MET A 1 75.146 3.811 -5.208 1.00 1.00 S ATOM 8 CE MET A 1 75.979 2.461 -4.338 1.00 1.00 C ATOM 0 H1 MET A 1 75.960 5.809 -1.598 1.00 1.00 H new ATOM 0 H2 MET A 1 75.017 6.531 -0.385 1.00 1.00 H new ATOM 0 H3 MET A 1 74.653 4.962 -0.921 1.00 1.00 H new ATOM 0 HA MET A 1 74.517 7.389 -2.642 1.00 1.00 H new ATOM 0 HB2 MET A 1 73.407 4.572 -3.042 1.00 1.00 H new ATOM 0 HB3 MET A 1 73.347 5.889 -4.197 1.00 1.00 H new ATOM 0 HG2 MET A 1 75.839 5.938 -4.307 1.00 1.00 H new ATOM 0 HG3 MET A 1 75.934 4.673 -3.098 1.00 1.00 H new ATOM 0 HE1 MET A 1 75.984 1.571 -4.967 1.00 1.00 H new ATOM 0 HE2 MET A 1 77.005 2.752 -4.112 1.00 1.00 H new ATOM 0 HE3 MET A 1 75.450 2.246 -3.409 1.00 1.00 H new ATOM 20 N GLU A 2 72.718 6.973 -0.318 1.00 1.00 N ATOM 21 CA GLU A 2 71.474 7.264 0.384 1.00 1.00 C ATOM 22 C GLU A 2 70.384 6.277 -0.023 1.00 1.00 C ATOM 23 O GLU A 2 69.502 6.605 -0.816 1.00 1.00 O ATOM 24 CB GLU A 2 71.017 8.690 0.070 1.00 1.00 C ATOM 25 CG GLU A 2 72.140 9.672 0.407 1.00 1.00 C ATOM 26 CD GLU A 2 72.509 10.487 -0.828 1.00 1.00 C ATOM 27 OE1 GLU A 2 71.697 11.297 -1.243 1.00 1.00 O ATOM 28 OE2 GLU A 2 73.598 10.289 -1.340 1.00 1.00 O ATOM 0 H GLU A 2 73.547 6.951 0.276 1.00 1.00 H new ATOM 0 HA GLU A 2 71.653 7.168 1.455 1.00 1.00 H new ATOM 0 HB2 GLU A 2 70.750 8.774 -0.984 1.00 1.00 H new ATOM 0 HB3 GLU A 2 70.123 8.932 0.645 1.00 1.00 H new ATOM 0 HG2 GLU A 2 71.824 10.337 1.210 1.00 1.00 H new ATOM 0 HG3 GLU A 2 73.013 9.129 0.768 1.00 1.00 H new ATOM 35 N GLU A 3 70.453 5.068 0.524 1.00 1.00 N ATOM 36 CA GLU A 3 69.466 4.042 0.210 1.00 1.00 C ATOM 37 C GLU A 3 68.425 3.941 1.320 1.00 1.00 C ATOM 38 O GLU A 3 68.240 2.881 1.918 1.00 1.00 O ATOM 39 CB GLU A 3 70.159 2.688 0.033 1.00 1.00 C ATOM 40 CG GLU A 3 70.879 2.656 -1.315 1.00 1.00 C ATOM 41 CD GLU A 3 69.923 2.186 -2.407 1.00 1.00 C ATOM 42 OE1 GLU A 3 69.191 3.015 -2.922 1.00 1.00 O ATOM 43 OE2 GLU A 3 69.936 1.005 -2.711 1.00 1.00 O ATOM 0 H GLU A 3 71.176 4.776 1.182 1.00 1.00 H new ATOM 0 HA GLU A 3 68.965 4.319 -0.718 1.00 1.00 H new ATOM 0 HB2 GLU A 3 70.871 2.524 0.842 1.00 1.00 H new ATOM 0 HB3 GLU A 3 69.426 1.883 0.085 1.00 1.00 H new ATOM 0 HG2 GLU A 3 71.260 3.648 -1.556 1.00 1.00 H new ATOM 0 HG3 GLU A 3 71.739 1.989 -1.261 1.00 1.00 H new ATOM 50 N GLY A 4 67.746 5.052 1.590 1.00 1.00 N ATOM 51 CA GLY A 4 66.725 5.078 2.630 1.00 1.00 C ATOM 52 C GLY A 4 66.497 6.498 3.136 1.00 1.00 C ATOM 53 O GLY A 4 65.361 6.963 3.220 1.00 1.00 O ATOM 0 H GLY A 4 67.883 5.940 1.107 1.00 1.00 H new ATOM 0 HA2 GLY A 4 65.792 4.673 2.239 1.00 1.00 H new ATOM 0 HA3 GLY A 4 67.028 4.437 3.458 1.00 1.00 H new ATOM 57 N GLY A 5 67.586 7.183 3.471 1.00 1.00 N ATOM 58 CA GLY A 5 67.493 8.552 3.967 1.00 1.00 C ATOM 59 C GLY A 5 67.595 8.587 5.488 1.00 1.00 C ATOM 60 O GLY A 5 68.497 7.988 6.074 1.00 1.00 O ATOM 0 H GLY A 5 68.536 6.816 3.409 1.00 1.00 H new ATOM 0 HA2 GLY A 5 68.289 9.156 3.531 1.00 1.00 H new ATOM 0 HA3 GLY A 5 66.548 8.994 3.651 1.00 1.00 H new ATOM 64 N ASP A 6 66.665 9.294 6.122 1.00 1.00 N ATOM 65 CA ASP A 6 66.661 9.402 7.577 1.00 1.00 C ATOM 66 C ASP A 6 65.249 9.668 8.090 1.00 1.00 C ATOM 67 O ASP A 6 64.453 10.332 7.426 1.00 1.00 O ATOM 68 CB ASP A 6 67.589 10.534 8.020 1.00 1.00 C ATOM 69 CG ASP A 6 66.920 11.359 9.113 1.00 1.00 C ATOM 70 OD1 ASP A 6 66.853 10.879 10.233 1.00 1.00 O ATOM 71 OD2 ASP A 6 66.485 12.459 8.815 1.00 1.00 O ATOM 0 H ASP A 6 65.910 9.797 5.656 1.00 1.00 H new ATOM 0 HA ASP A 6 67.015 8.459 7.994 1.00 1.00 H new ATOM 0 HB2 ASP A 6 68.529 10.122 8.388 1.00 1.00 H new ATOM 0 HB3 ASP A 6 67.831 11.171 7.169 1.00 1.00 H new ATOM 76 N PHE A 7 64.948 9.146 9.274 1.00 1.00 N ATOM 77 CA PHE A 7 63.629 9.335 9.867 1.00 1.00 C ATOM 78 C PHE A 7 63.644 10.502 10.849 1.00 1.00 C ATOM 79 O PHE A 7 64.350 10.468 11.857 1.00 1.00 O ATOM 80 CB PHE A 7 63.197 8.059 10.594 1.00 1.00 C ATOM 81 CG PHE A 7 61.696 7.911 10.501 1.00 1.00 C ATOM 82 CD1 PHE A 7 60.864 8.713 11.290 1.00 1.00 C ATOM 83 CD2 PHE A 7 61.140 6.971 9.627 1.00 1.00 C ATOM 84 CE1 PHE A 7 59.474 8.574 11.205 1.00 1.00 C ATOM 85 CE2 PHE A 7 59.749 6.832 9.541 1.00 1.00 C ATOM 86 CZ PHE A 7 58.916 7.634 10.330 1.00 1.00 C ATOM 0 H PHE A 7 65.593 8.593 9.838 1.00 1.00 H new ATOM 0 HA PHE A 7 62.921 9.557 9.069 1.00 1.00 H new ATOM 0 HB2 PHE A 7 63.687 7.192 10.151 1.00 1.00 H new ATOM 0 HB3 PHE A 7 63.505 8.101 11.639 1.00 1.00 H new ATOM 0 HD1 PHE A 7 61.294 9.439 11.964 1.00 1.00 H new ATOM 0 HD2 PHE A 7 61.783 6.353 9.019 1.00 1.00 H new ATOM 0 HE1 PHE A 7 58.831 9.192 11.815 1.00 1.00 H new ATOM 0 HE2 PHE A 7 59.319 6.106 8.866 1.00 1.00 H new ATOM 0 HZ PHE A 7 57.843 7.528 10.264 1.00 1.00 H new ATOM 96 N ASP A 8 62.861 11.532 10.548 1.00 1.00 N ATOM 97 CA ASP A 8 62.792 12.704 11.412 1.00 1.00 C ATOM 98 C ASP A 8 61.394 13.313 11.380 1.00 1.00 C ATOM 99 O ASP A 8 61.237 14.530 11.293 1.00 1.00 O ATOM 100 CB ASP A 8 63.815 13.748 10.960 1.00 1.00 C ATOM 101 CG ASP A 8 64.140 14.693 12.111 1.00 1.00 C ATOM 102 OD1 ASP A 8 64.434 14.202 13.189 1.00 1.00 O ATOM 103 OD2 ASP A 8 64.091 15.893 11.899 1.00 1.00 O ATOM 0 H ASP A 8 62.269 11.579 9.719 1.00 1.00 H new ATOM 0 HA ASP A 8 63.017 12.392 12.432 1.00 1.00 H new ATOM 0 HB2 ASP A 8 64.724 13.254 10.617 1.00 1.00 H new ATOM 0 HB3 ASP A 8 63.421 14.313 10.115 1.00 1.00 H new ATOM 108 N ASN A 9 60.379 12.456 11.450 1.00 1.00 N ATOM 109 CA ASN A 9 58.997 12.921 11.427 1.00 1.00 C ATOM 110 C ASN A 9 58.087 11.931 12.147 1.00 1.00 C ATOM 111 O ASN A 9 57.136 11.410 11.564 1.00 1.00 O ATOM 112 CB ASN A 9 58.526 13.091 9.981 1.00 1.00 C ATOM 113 CG ASN A 9 57.355 14.064 9.926 1.00 1.00 C ATOM 114 OD1 ASN A 9 57.534 15.233 9.581 1.00 1.00 O ATOM 115 ND2 ASN A 9 56.159 13.651 10.246 1.00 1.00 N ATOM 0 H ASN A 9 60.486 11.444 11.523 1.00 1.00 H new ATOM 0 HA ASN A 9 58.948 13.882 11.940 1.00 1.00 H new ATOM 0 HB2 ASN A 9 59.345 13.460 9.364 1.00 1.00 H new ATOM 0 HB3 ASN A 9 58.227 12.126 9.571 1.00 1.00 H new ATOM 0 HD21 ASN A 9 55.370 14.297 10.211 1.00 1.00 H new ATOM 0 HD22 ASN A 9 56.013 12.683 10.531 1.00 1.00 H new ATOM 122 N TYR A 10 58.386 11.675 13.417 1.00 1.00 N ATOM 123 CA TYR A 10 57.586 10.745 14.207 1.00 1.00 C ATOM 124 C TYR A 10 56.119 11.157 14.197 1.00 1.00 C ATOM 125 O TYR A 10 55.327 10.652 13.401 1.00 1.00 O ATOM 126 CB TYR A 10 58.099 10.710 15.648 1.00 1.00 C ATOM 127 CG TYR A 10 59.407 9.957 15.698 1.00 1.00 C ATOM 128 CD1 TYR A 10 59.417 8.563 15.569 1.00 1.00 C ATOM 129 CD2 TYR A 10 60.609 10.652 15.874 1.00 1.00 C ATOM 130 CE1 TYR A 10 60.630 7.865 15.615 1.00 1.00 C ATOM 131 CE2 TYR A 10 61.822 9.954 15.920 1.00 1.00 C ATOM 132 CZ TYR A 10 61.832 8.561 15.791 1.00 1.00 C ATOM 133 OH TYR A 10 63.027 7.872 15.837 1.00 1.00 O ATOM 0 H TYR A 10 59.169 12.094 13.918 1.00 1.00 H new ATOM 0 HA TYR A 10 57.675 9.752 13.765 1.00 1.00 H new ATOM 0 HB2 TYR A 10 58.237 11.725 16.021 1.00 1.00 H new ATOM 0 HB3 TYR A 10 57.365 10.229 16.295 1.00 1.00 H new ATOM 0 HD1 TYR A 10 58.490 8.026 15.434 1.00 1.00 H new ATOM 0 HD2 TYR A 10 60.601 11.727 15.974 1.00 1.00 H new ATOM 0 HE1 TYR A 10 60.638 6.790 15.515 1.00 1.00 H new ATOM 0 HE2 TYR A 10 62.749 10.491 16.055 1.00 1.00 H new ATOM 0 HH TYR A 10 63.765 8.505 15.963 1.00 1.00 H new ATOM 143 N TYR A 11 55.762 12.080 15.085 1.00 1.00 N ATOM 144 CA TYR A 11 54.386 12.553 15.171 1.00 1.00 C ATOM 145 C TYR A 11 53.934 13.133 13.834 1.00 1.00 C ATOM 146 O TYR A 11 54.670 13.883 13.192 1.00 1.00 O ATOM 147 CB TYR A 11 54.267 13.620 16.260 1.00 1.00 C ATOM 148 CG TYR A 11 55.019 13.169 17.490 1.00 1.00 C ATOM 149 CD1 TYR A 11 54.469 12.189 18.324 1.00 1.00 C ATOM 150 CD2 TYR A 11 56.265 13.731 17.795 1.00 1.00 C ATOM 151 CE1 TYR A 11 55.166 11.769 19.464 1.00 1.00 C ATOM 152 CE2 TYR A 11 56.961 13.311 18.934 1.00 1.00 C ATOM 153 CZ TYR A 11 56.412 12.330 19.769 1.00 1.00 C ATOM 154 OH TYR A 11 57.099 11.917 20.892 1.00 1.00 O ATOM 0 H TYR A 11 56.402 12.512 15.751 1.00 1.00 H new ATOM 0 HA TYR A 11 53.746 11.707 15.422 1.00 1.00 H new ATOM 0 HB2 TYR A 11 54.669 14.567 15.902 1.00 1.00 H new ATOM 0 HB3 TYR A 11 53.218 13.791 16.504 1.00 1.00 H new ATOM 0 HD1 TYR A 11 53.508 11.757 18.089 1.00 1.00 H new ATOM 0 HD2 TYR A 11 56.688 14.488 17.152 1.00 1.00 H new ATOM 0 HE1 TYR A 11 54.742 11.012 20.108 1.00 1.00 H new ATOM 0 HE2 TYR A 11 57.922 13.744 19.169 1.00 1.00 H new ATOM 0 HH TYR A 11 57.946 12.406 20.955 1.00 1.00 H new ATOM 164 N GLY A 12 52.721 12.783 13.422 1.00 1.00 N ATOM 165 CA GLY A 12 52.181 13.275 12.161 1.00 1.00 C ATOM 166 C GLY A 12 50.659 13.172 12.141 1.00 1.00 C ATOM 167 O GLY A 12 50.099 12.220 11.597 1.00 1.00 O ATOM 0 H GLY A 12 52.096 12.164 13.939 1.00 1.00 H new ATOM 0 HA2 GLY A 12 52.481 14.312 12.013 1.00 1.00 H new ATOM 0 HA3 GLY A 12 52.599 12.701 11.334 1.00 1.00 H new ATOM 171 N ALA A 13 49.997 14.156 12.739 1.00 1.00 N ATOM 172 CA ALA A 13 48.540 14.166 12.786 1.00 1.00 C ATOM 173 C ALA A 13 47.962 14.534 11.423 1.00 1.00 C ATOM 174 O ALA A 13 47.155 15.458 11.309 1.00 1.00 O ATOM 175 CB ALA A 13 48.056 15.168 13.834 1.00 1.00 C ATOM 0 H ALA A 13 50.443 14.952 13.195 1.00 1.00 H new ATOM 0 HA ALA A 13 48.199 13.167 13.056 1.00 1.00 H new ATOM 0 HB1 ALA A 13 46.966 15.168 13.861 1.00 1.00 H new ATOM 0 HB2 ALA A 13 48.444 14.886 14.813 1.00 1.00 H new ATOM 0 HB3 ALA A 13 48.412 16.165 13.576 1.00 1.00 H new ATOM 181 N ASP A 14 48.378 13.806 10.392 1.00 1.00 N ATOM 182 CA ASP A 14 47.895 14.066 9.041 1.00 1.00 C ATOM 183 C ASP A 14 46.646 13.240 8.752 1.00 1.00 C ATOM 184 O ASP A 14 46.642 12.399 7.852 1.00 1.00 O ATOM 185 CB ASP A 14 48.983 13.726 8.021 1.00 1.00 C ATOM 186 CG ASP A 14 50.130 14.723 8.131 1.00 1.00 C ATOM 187 OD1 ASP A 14 49.859 15.881 8.406 1.00 1.00 O ATOM 188 OD2 ASP A 14 51.264 14.315 7.940 1.00 1.00 O ATOM 0 H ASP A 14 49.044 13.037 10.465 1.00 1.00 H new ATOM 0 HA ASP A 14 47.644 15.124 8.962 1.00 1.00 H new ATOM 0 HB2 ASP A 14 49.351 12.715 8.193 1.00 1.00 H new ATOM 0 HB3 ASP A 14 48.568 13.747 7.013 1.00 1.00 H new ATOM 193 N ASN A 15 45.590 13.484 9.522 1.00 1.00 N ATOM 194 CA ASN A 15 44.338 12.758 9.343 1.00 1.00 C ATOM 195 C ASN A 15 43.158 13.720 9.377 1.00 1.00 C ATOM 196 O ASN A 15 42.705 14.191 8.334 1.00 1.00 O ATOM 197 CB ASN A 15 44.182 11.717 10.452 1.00 1.00 C ATOM 198 CG ASN A 15 44.963 10.457 10.096 1.00 1.00 C ATOM 199 OD1 ASN A 15 46.018 10.538 9.465 1.00 1.00 O ATOM 200 ND2 ASN A 15 44.507 9.291 10.463 1.00 1.00 N ATOM 0 H ASN A 15 45.576 14.175 10.272 1.00 1.00 H new ATOM 0 HA ASN A 15 44.358 12.259 8.374 1.00 1.00 H new ATOM 0 HB2 ASN A 15 44.542 12.123 11.397 1.00 1.00 H new ATOM 0 HB3 ASN A 15 43.128 11.475 10.590 1.00 1.00 H new ATOM 0 HD21 ASN A 15 45.024 8.444 10.228 1.00 1.00 H new ATOM 0 HD22 ASN A 15 43.633 9.226 10.985 1.00 1.00 H new ATOM 207 N GLN A 16 42.683 14.010 10.592 1.00 1.00 N ATOM 208 CA GLN A 16 41.560 14.924 10.797 1.00 1.00 C ATOM 209 C GLN A 16 40.622 14.948 9.593 1.00 1.00 C ATOM 210 O GLN A 16 40.238 16.014 9.113 1.00 1.00 O ATOM 211 CB GLN A 16 42.087 16.331 11.068 1.00 1.00 C ATOM 212 CG GLN A 16 43.208 16.661 10.080 1.00 1.00 C ATOM 213 CD GLN A 16 43.668 18.100 10.273 1.00 1.00 C ATOM 214 OE1 GLN A 16 43.041 19.029 9.764 1.00 1.00 O ATOM 215 NE2 GLN A 16 44.736 18.342 10.984 1.00 1.00 N ATOM 0 H GLN A 16 43.064 13.620 11.454 1.00 1.00 H new ATOM 0 HA GLN A 16 40.991 14.567 11.655 1.00 1.00 H new ATOM 0 HB2 GLN A 16 41.280 17.057 10.972 1.00 1.00 H new ATOM 0 HB3 GLN A 16 42.458 16.400 12.090 1.00 1.00 H new ATOM 0 HG2 GLN A 16 44.046 15.980 10.228 1.00 1.00 H new ATOM 0 HG3 GLN A 16 42.857 16.517 9.058 1.00 1.00 H new ATOM 0 HE21 GLN A 16 45.254 17.571 11.405 1.00 1.00 H new ATOM 0 HE22 GLN A 16 45.052 19.302 11.119 1.00 1.00 H new ATOM 224 N SER A 17 40.258 13.765 9.111 1.00 1.00 N ATOM 225 CA SER A 17 39.366 13.660 7.962 1.00 1.00 C ATOM 226 C SER A 17 38.406 12.489 8.135 1.00 1.00 C ATOM 227 O SER A 17 38.757 11.466 8.722 1.00 1.00 O ATOM 228 CB SER A 17 40.182 13.471 6.683 1.00 1.00 C ATOM 229 OG SER A 17 40.379 14.733 6.060 1.00 1.00 O ATOM 0 H SER A 17 40.564 12.871 9.495 1.00 1.00 H new ATOM 0 HA SER A 17 38.787 14.581 7.889 1.00 1.00 H new ATOM 0 HB2 SER A 17 41.144 13.014 6.916 1.00 1.00 H new ATOM 0 HB3 SER A 17 39.663 12.794 6.004 1.00 1.00 H new ATOM 0 HG SER A 17 40.903 14.615 5.241 1.00 1.00 H new ATOM 235 N GLU A 18 37.192 12.646 7.617 1.00 1.00 N ATOM 236 CA GLU A 18 36.186 11.594 7.720 1.00 1.00 C ATOM 237 C GLU A 18 36.580 10.392 6.867 1.00 1.00 C ATOM 238 O GLU A 18 36.231 10.313 5.689 1.00 1.00 O ATOM 239 CB GLU A 18 34.827 12.124 7.261 1.00 1.00 C ATOM 240 CG GLU A 18 33.722 11.184 7.747 1.00 1.00 C ATOM 241 CD GLU A 18 32.607 11.109 6.710 1.00 1.00 C ATOM 242 OE1 GLU A 18 32.242 12.149 6.186 1.00 1.00 O ATOM 243 OE2 GLU A 18 32.133 10.014 6.456 1.00 1.00 O ATOM 0 H GLU A 18 36.882 13.484 7.125 1.00 1.00 H new ATOM 0 HA GLU A 18 36.120 11.281 8.762 1.00 1.00 H new ATOM 0 HB2 GLU A 18 34.664 13.128 7.654 1.00 1.00 H new ATOM 0 HB3 GLU A 18 34.803 12.200 6.174 1.00 1.00 H new ATOM 0 HG2 GLU A 18 34.131 10.190 7.925 1.00 1.00 H new ATOM 0 HG3 GLU A 18 33.323 11.539 8.697 1.00 1.00 H new ATOM 250 N CYS A 19 37.308 9.458 7.470 1.00 1.00 N ATOM 251 CA CYS A 19 37.744 8.263 6.757 1.00 1.00 C ATOM 252 C CYS A 19 38.224 7.198 7.738 1.00 1.00 C ATOM 253 O CYS A 19 37.969 7.286 8.939 1.00 1.00 O ATOM 254 CB CYS A 19 38.874 8.616 5.789 1.00 1.00 C ATOM 255 SG CYS A 19 40.416 8.831 6.713 1.00 1.00 S ATOM 0 H CYS A 19 37.607 9.504 8.444 1.00 1.00 H new ATOM 0 HA CYS A 19 36.897 7.868 6.197 1.00 1.00 H new ATOM 0 HB2 CYS A 19 38.990 7.827 5.046 1.00 1.00 H new ATOM 0 HB3 CYS A 19 38.631 9.531 5.248 1.00 1.00 H new ATOM 0 HG CYS A 19 41.185 7.801 6.520 1.00 1.00 H new ATOM 261 N GLU A 20 38.923 6.195 7.218 1.00 1.00 N ATOM 262 CA GLU A 20 39.436 5.118 8.059 1.00 1.00 C ATOM 263 C GLU A 20 38.310 4.497 8.880 1.00 1.00 C ATOM 264 O GLU A 20 38.553 3.667 9.757 1.00 1.00 O ATOM 265 CB GLU A 20 40.516 5.658 8.998 1.00 1.00 C ATOM 266 CG GLU A 20 41.871 5.060 8.615 1.00 1.00 C ATOM 267 CD GLU A 20 42.231 5.455 7.188 1.00 1.00 C ATOM 268 OE1 GLU A 20 41.957 6.586 6.819 1.00 1.00 O ATOM 269 OE2 GLU A 20 42.775 4.621 6.482 1.00 1.00 O ATOM 0 H GLU A 20 39.146 6.104 6.227 1.00 1.00 H new ATOM 0 HA GLU A 20 39.866 4.352 7.414 1.00 1.00 H new ATOM 0 HB2 GLU A 20 40.556 6.746 8.936 1.00 1.00 H new ATOM 0 HB3 GLU A 20 40.274 5.406 10.031 1.00 1.00 H new ATOM 0 HG2 GLU A 20 42.640 5.411 9.303 1.00 1.00 H new ATOM 0 HG3 GLU A 20 41.836 3.974 8.703 1.00 1.00 H new ATOM 276 N TYR A 21 37.078 4.902 8.588 1.00 1.00 N ATOM 277 CA TYR A 21 35.922 4.377 9.307 1.00 1.00 C ATOM 278 C TYR A 21 35.509 3.024 8.739 1.00 1.00 C ATOM 279 O TYR A 21 34.518 2.435 9.171 1.00 1.00 O ATOM 280 CB TYR A 21 34.751 5.357 9.201 1.00 1.00 C ATOM 281 CG TYR A 21 33.926 5.024 7.982 1.00 1.00 C ATOM 282 CD1 TYR A 21 34.370 5.404 6.710 1.00 1.00 C ATOM 283 CD2 TYR A 21 32.715 4.335 8.123 1.00 1.00 C ATOM 284 CE1 TYR A 21 33.603 5.096 5.579 1.00 1.00 C ATOM 285 CE2 TYR A 21 31.949 4.027 6.993 1.00 1.00 C ATOM 286 CZ TYR A 21 32.393 4.407 5.721 1.00 1.00 C ATOM 287 OH TYR A 21 31.638 4.102 4.606 1.00 1.00 O ATOM 0 H TYR A 21 36.855 5.586 7.865 1.00 1.00 H new ATOM 0 HA TYR A 21 36.195 4.251 10.355 1.00 1.00 H new ATOM 0 HB2 TYR A 21 34.134 5.301 10.098 1.00 1.00 H new ATOM 0 HB3 TYR A 21 35.123 6.379 9.133 1.00 1.00 H new ATOM 0 HD1 TYR A 21 35.304 5.935 6.601 1.00 1.00 H new ATOM 0 HD2 TYR A 21 32.372 4.041 9.104 1.00 1.00 H new ATOM 0 HE1 TYR A 21 33.945 5.390 4.598 1.00 1.00 H new ATOM 0 HE2 TYR A 21 31.015 3.496 7.102 1.00 1.00 H new ATOM 0 HH TYR A 21 30.829 3.621 4.880 1.00 1.00 H new ATOM 297 N THR A 22 36.274 2.537 7.767 1.00 1.00 N ATOM 298 CA THR A 22 35.977 1.252 7.146 1.00 1.00 C ATOM 299 C THR A 22 36.882 0.162 7.712 1.00 1.00 C ATOM 300 O THR A 22 36.452 -0.975 7.910 1.00 1.00 O ATOM 301 CB THR A 22 36.174 1.345 5.632 1.00 1.00 C ATOM 302 OG1 THR A 22 35.264 2.295 5.095 1.00 1.00 O ATOM 303 CG2 THR A 22 35.923 -0.022 4.996 1.00 1.00 C ATOM 0 H THR A 22 37.098 3.009 7.395 1.00 1.00 H new ATOM 0 HA THR A 22 34.940 0.997 7.362 1.00 1.00 H new ATOM 0 HB THR A 22 37.196 1.659 5.418 1.00 1.00 H new ATOM 0 HG1 THR A 22 35.390 2.357 4.125 1.00 1.00 H new ATOM 0 HG21 THR A 22 36.064 0.047 3.917 1.00 1.00 H new ATOM 0 HG22 THR A 22 36.623 -0.749 5.408 1.00 1.00 H new ATOM 0 HG23 THR A 22 34.903 -0.340 5.209 1.00 1.00 H new ATOM 311 N ASP A 23 38.136 0.517 7.970 1.00 1.00 N ATOM 312 CA ASP A 23 39.095 -0.440 8.513 1.00 1.00 C ATOM 313 C ASP A 23 39.238 -0.258 10.020 1.00 1.00 C ATOM 314 O ASP A 23 40.251 -0.636 10.608 1.00 1.00 O ATOM 315 CB ASP A 23 40.457 -0.249 7.843 1.00 1.00 C ATOM 316 CG ASP A 23 40.899 1.205 7.965 1.00 1.00 C ATOM 317 OD1 ASP A 23 41.452 1.551 8.996 1.00 1.00 O ATOM 318 OD2 ASP A 23 40.675 1.952 7.027 1.00 1.00 O ATOM 0 H ASP A 23 38.511 1.453 7.814 1.00 1.00 H new ATOM 0 HA ASP A 23 38.729 -1.447 8.313 1.00 1.00 H new ATOM 0 HB2 ASP A 23 41.195 -0.902 8.308 1.00 1.00 H new ATOM 0 HB3 ASP A 23 40.398 -0.533 6.792 1.00 1.00 H new ATOM 323 N TRP A 24 38.215 0.322 10.641 1.00 1.00 N ATOM 324 CA TRP A 24 38.237 0.549 12.081 1.00 1.00 C ATOM 325 C TRP A 24 38.624 -0.731 12.823 1.00 1.00 C ATOM 326 O TRP A 24 39.801 -1.085 12.890 1.00 1.00 O ATOM 327 CB TRP A 24 36.864 1.040 12.557 1.00 1.00 C ATOM 328 CG TRP A 24 35.781 0.415 11.733 1.00 1.00 C ATOM 329 CD1 TRP A 24 35.851 -0.798 11.137 1.00 1.00 C ATOM 330 CD2 TRP A 24 34.467 0.954 11.409 1.00 1.00 C ATOM 331 NE1 TRP A 24 34.665 -1.036 10.467 1.00 1.00 N ATOM 332 CE2 TRP A 24 33.780 0.015 10.606 1.00 1.00 C ATOM 333 CE3 TRP A 24 33.811 2.156 11.732 1.00 1.00 C ATOM 334 CZ2 TRP A 24 32.487 0.259 10.138 1.00 1.00 C ATOM 335 CZ3 TRP A 24 32.511 2.405 11.263 1.00 1.00 C ATOM 336 CH2 TRP A 24 31.850 1.458 10.468 1.00 1.00 C ATOM 0 H TRP A 24 37.367 0.641 10.173 1.00 1.00 H new ATOM 0 HA TRP A 24 38.983 1.313 12.299 1.00 1.00 H new ATOM 0 HB2 TRP A 24 36.723 0.788 13.608 1.00 1.00 H new ATOM 0 HB3 TRP A 24 36.810 2.126 12.479 1.00 1.00 H new ATOM 0 HD1 TRP A 24 36.695 -1.470 11.178 1.00 1.00 H new ATOM 0 HE1 TRP A 24 34.468 -1.884 9.935 1.00 1.00 H new ATOM 0 HE3 TRP A 24 34.310 2.892 12.345 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 31.983 -0.474 9.525 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 32.017 3.332 11.516 1.00 1.00 H new ATOM 0 HH2 TRP A 24 30.850 1.655 10.111 1.00 1.00 H new ATOM 347 N LYS A 25 37.631 -1.419 13.379 1.00 1.00 N ATOM 348 CA LYS A 25 37.887 -2.653 14.111 1.00 1.00 C ATOM 349 C LYS A 25 38.147 -3.807 13.147 1.00 1.00 C ATOM 350 O LYS A 25 39.273 -4.002 12.688 1.00 1.00 O ATOM 351 CB LYS A 25 36.696 -2.986 15.007 1.00 1.00 C ATOM 352 CG LYS A 25 35.394 -2.704 14.258 1.00 1.00 C ATOM 353 CD LYS A 25 34.389 -3.810 14.571 1.00 1.00 C ATOM 354 CE LYS A 25 33.059 -3.506 13.879 1.00 1.00 C ATOM 355 NZ LYS A 25 32.095 -2.955 14.874 1.00 1.00 N ATOM 0 H LYS A 25 36.649 -1.145 13.337 1.00 1.00 H new ATOM 0 HA LYS A 25 38.773 -2.509 14.729 1.00 1.00 H new ATOM 0 HB2 LYS A 25 36.735 -4.033 15.306 1.00 1.00 H new ATOM 0 HB3 LYS A 25 36.738 -2.392 15.920 1.00 1.00 H new ATOM 0 HG2 LYS A 25 34.992 -1.735 14.554 1.00 1.00 H new ATOM 0 HG3 LYS A 25 35.580 -2.657 13.185 1.00 1.00 H new ATOM 0 HD2 LYS A 25 34.775 -4.772 14.233 1.00 1.00 H new ATOM 0 HD3 LYS A 25 34.241 -3.886 15.648 1.00 1.00 H new ATOM 0 HE2 LYS A 25 33.213 -2.791 13.071 1.00 1.00 H new ATOM 0 HE3 LYS A 25 32.655 -4.413 13.429 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 31.191 -2.748 14.404 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 31.940 -3.652 15.630 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 32.480 -2.080 15.283 1.00 1.00 H new ATOM 369 N SER A 26 37.102 -4.570 12.844 1.00 1.00 N ATOM 370 CA SER A 26 37.234 -5.701 11.934 1.00 1.00 C ATOM 371 C SER A 26 38.448 -6.547 12.303 1.00 1.00 C ATOM 372 O SER A 26 38.973 -7.290 11.474 1.00 1.00 O ATOM 373 CB SER A 26 37.375 -5.201 10.496 1.00 1.00 C ATOM 374 OG SER A 26 36.421 -5.860 9.674 1.00 1.00 O ATOM 0 H SER A 26 36.161 -4.427 13.212 1.00 1.00 H new ATOM 0 HA SER A 26 36.338 -6.317 12.017 1.00 1.00 H new ATOM 0 HB2 SER A 26 37.222 -4.122 10.457 1.00 1.00 H new ATOM 0 HB3 SER A 26 38.383 -5.394 10.129 1.00 1.00 H new ATOM 0 HG SER A 26 36.508 -5.540 8.752 1.00 1.00 H new ATOM 380 N SER A 27 38.889 -6.428 13.551 1.00 1.00 N ATOM 381 CA SER A 27 40.044 -7.187 14.019 1.00 1.00 C ATOM 382 C SER A 27 40.077 -7.226 15.543 1.00 1.00 C ATOM 383 O SER A 27 41.143 -7.341 16.147 1.00 1.00 O ATOM 384 CB SER A 27 41.331 -6.552 13.495 1.00 1.00 C ATOM 385 OG SER A 27 41.052 -5.848 12.291 1.00 1.00 O ATOM 0 H SER A 27 38.468 -5.818 14.252 1.00 1.00 H new ATOM 0 HA SER A 27 39.963 -8.207 13.643 1.00 1.00 H new ATOM 0 HB2 SER A 27 41.744 -5.872 14.240 1.00 1.00 H new ATOM 0 HB3 SER A 27 42.082 -7.321 13.314 1.00 1.00 H new ATOM 0 HG SER A 27 40.703 -4.958 12.506 1.00 1.00 H new ATOM 391 N GLY A 28 38.903 -7.131 16.159 1.00 1.00 N ATOM 392 CA GLY A 28 38.811 -7.157 17.615 1.00 1.00 C ATOM 393 C GLY A 28 39.116 -5.784 18.204 1.00 1.00 C ATOM 394 O GLY A 28 38.984 -5.573 19.410 1.00 1.00 O ATOM 0 H GLY A 28 38.009 -7.036 15.678 1.00 1.00 H new ATOM 0 HA2 GLY A 28 37.811 -7.472 17.915 1.00 1.00 H new ATOM 0 HA3 GLY A 28 39.510 -7.892 18.015 1.00 1.00 H new ATOM 398 N ALA A 29 39.524 -4.855 17.347 1.00 1.00 N ATOM 399 CA ALA A 29 39.845 -3.504 17.794 1.00 1.00 C ATOM 400 C ALA A 29 41.051 -3.519 18.727 1.00 1.00 C ATOM 401 O ALA A 29 40.965 -3.998 19.859 1.00 1.00 O ATOM 402 CB ALA A 29 38.647 -2.893 18.520 1.00 1.00 C ATOM 0 H ALA A 29 39.640 -5.010 16.346 1.00 1.00 H new ATOM 0 HA ALA A 29 40.084 -2.902 16.917 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.897 -1.885 18.850 1.00 1.00 H new ATOM 0 HB2 ALA A 29 37.793 -2.852 17.843 1.00 1.00 H new ATOM 0 HB3 ALA A 29 38.395 -3.506 19.386 1.00 1.00 H new ATOM 408 N LEU A 30 42.172 -2.992 18.242 1.00 1.00 N ATOM 409 CA LEU A 30 43.395 -2.945 19.037 1.00 1.00 C ATOM 410 C LEU A 30 43.735 -1.505 19.408 1.00 1.00 C ATOM 411 O LEU A 30 44.901 -1.119 19.411 1.00 1.00 O ATOM 412 CB LEU A 30 44.553 -3.555 18.245 1.00 1.00 C ATOM 413 CG LEU A 30 44.146 -4.934 17.721 1.00 1.00 C ATOM 414 CD1 LEU A 30 45.303 -5.542 16.928 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.804 -5.847 18.902 1.00 1.00 C ATOM 0 H LEU A 30 42.259 -2.593 17.307 1.00 1.00 H new ATOM 0 HA LEU A 30 43.237 -3.517 19.951 1.00 1.00 H new ATOM 0 HB2 LEU A 30 44.821 -2.903 17.413 1.00 1.00 H new ATOM 0 HB3 LEU A 30 45.435 -3.642 18.879 1.00 1.00 H new ATOM 0 HG LEU A 30 43.275 -4.833 17.073 1.00 1.00 H new ATOM 0 HD11 LEU A 30 45.012 -6.524 16.555 1.00 1.00 H new ATOM 0 HD12 LEU A 30 45.549 -4.893 16.087 1.00 1.00 H new ATOM 0 HD13 LEU A 30 46.174 -5.643 17.575 1.00 1.00 H new ATOM 0 HD21 LEU A 30 43.514 -6.830 18.530 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.675 -5.947 19.549 1.00 1.00 H new ATOM 0 HD23 LEU A 30 42.979 -5.415 19.469 1.00 1.00 H new ATOM 427 N ILE A 31 42.703 -0.725 19.721 1.00 1.00 N ATOM 428 CA ILE A 31 42.867 0.683 20.103 1.00 1.00 C ATOM 429 C ILE A 31 41.503 1.374 20.151 1.00 1.00 C ATOM 430 O ILE A 31 41.238 2.165 21.056 1.00 1.00 O ATOM 431 CB ILE A 31 43.821 1.426 19.131 1.00 1.00 C ATOM 432 CG1 ILE A 31 45.131 1.773 19.866 1.00 1.00 C ATOM 433 CG2 ILE A 31 43.186 2.724 18.590 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.885 2.852 20.929 1.00 1.00 C ATOM 0 H ILE A 31 41.734 -1.044 19.718 1.00 1.00 H new ATOM 0 HA ILE A 31 43.317 0.716 21.095 1.00 1.00 H new ATOM 0 HB ILE A 31 44.019 0.767 18.286 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.538 0.878 20.336 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.874 2.123 19.150 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.884 3.216 17.913 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.268 2.484 18.053 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.956 3.391 19.421 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.822 3.083 21.437 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.500 3.753 20.451 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.159 2.488 21.656 1.00 1.00 H new ATOM 446 N PRO A 32 40.637 1.102 19.201 1.00 1.00 N ATOM 447 CA PRO A 32 39.282 1.726 19.152 1.00 1.00 C ATOM 448 C PRO A 32 38.407 1.282 20.322 1.00 1.00 C ATOM 449 O PRO A 32 37.348 1.857 20.571 1.00 1.00 O ATOM 450 CB PRO A 32 38.691 1.252 17.815 1.00 1.00 C ATOM 451 CG PRO A 32 39.833 0.673 17.044 1.00 1.00 C ATOM 452 CD PRO A 32 40.838 0.179 18.076 1.00 1.00 C ATOM 0 HA PRO A 32 39.335 2.812 19.228 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.911 0.508 17.975 1.00 1.00 H new ATOM 0 HB3 PRO A 32 38.235 2.081 17.274 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.497 -0.144 16.406 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.282 1.422 16.392 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.647 -0.855 18.363 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.859 0.221 17.697 1.00 1.00 H new ATOM 460 N ALA A 33 38.859 0.254 21.034 1.00 1.00 N ATOM 461 CA ALA A 33 38.110 -0.259 22.176 1.00 1.00 C ATOM 462 C ALA A 33 38.313 0.637 23.392 1.00 1.00 C ATOM 463 O ALA A 33 37.415 0.790 24.220 1.00 1.00 O ATOM 464 CB ALA A 33 38.568 -1.681 22.506 1.00 1.00 C ATOM 0 H ALA A 33 39.733 -0.237 20.843 1.00 1.00 H new ATOM 0 HA ALA A 33 37.051 -0.270 21.918 1.00 1.00 H new ATOM 0 HB1 ALA A 33 38.004 -2.056 23.360 1.00 1.00 H new ATOM 0 HB2 ALA A 33 38.396 -2.327 21.645 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.631 -1.674 22.748 1.00 1.00 H new ATOM 470 N ILE A 34 39.499 1.228 23.493 1.00 1.00 N ATOM 471 CA ILE A 34 39.810 2.110 24.612 1.00 1.00 C ATOM 472 C ILE A 34 39.216 3.494 24.377 1.00 1.00 C ATOM 473 O ILE A 34 38.973 4.246 25.322 1.00 1.00 O ATOM 474 CB ILE A 34 41.325 2.224 24.782 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.864 0.939 25.415 1.00 1.00 C ATOM 476 CG2 ILE A 34 41.649 3.413 25.689 1.00 1.00 C ATOM 477 CD1 ILE A 34 43.229 0.606 24.812 1.00 1.00 C ATOM 0 H ILE A 34 40.256 1.114 22.819 1.00 1.00 H new ATOM 0 HA ILE A 34 39.376 1.688 25.518 1.00 1.00 H new ATOM 0 HB ILE A 34 41.790 2.373 23.808 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.952 1.062 26.494 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.169 0.117 25.243 1.00 1.00 H new ATOM 0 HG21 ILE A 34 42.729 3.494 25.810 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.264 4.329 25.240 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.185 3.264 26.664 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.613 -0.309 25.263 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.127 0.465 23.736 1.00 1.00 H new ATOM 0 HD13 ILE A 34 43.922 1.424 25.006 1.00 1.00 H new ATOM 489 N TYR A 35 38.983 3.823 23.110 1.00 1.00 N ATOM 490 CA TYR A 35 38.415 5.119 22.760 1.00 1.00 C ATOM 491 C TYR A 35 37.046 5.293 23.410 1.00 1.00 C ATOM 492 O TYR A 35 36.817 6.250 24.150 1.00 1.00 O ATOM 493 CB TYR A 35 38.282 5.235 21.240 1.00 1.00 C ATOM 494 CG TYR A 35 39.016 6.466 20.762 1.00 1.00 C ATOM 495 CD1 TYR A 35 38.686 7.722 21.286 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.025 6.352 19.798 1.00 1.00 C ATOM 497 CE1 TYR A 35 39.365 8.865 20.845 1.00 1.00 C ATOM 498 CE2 TYR A 35 40.703 7.495 19.357 1.00 1.00 C ATOM 499 CZ TYR A 35 40.373 8.750 19.880 1.00 1.00 C ATOM 500 OH TYR A 35 41.042 9.877 19.444 1.00 1.00 O ATOM 0 H TYR A 35 39.177 3.215 22.315 1.00 1.00 H new ATOM 0 HA TYR A 35 39.080 5.901 23.126 1.00 1.00 H new ATOM 0 HB2 TYR A 35 38.690 4.346 20.760 1.00 1.00 H new ATOM 0 HB3 TYR A 35 37.230 5.294 20.960 1.00 1.00 H new ATOM 0 HD1 TYR A 35 37.908 7.809 22.030 1.00 1.00 H new ATOM 0 HD2 TYR A 35 40.280 5.383 19.395 1.00 1.00 H new ATOM 0 HE1 TYR A 35 39.111 9.834 21.249 1.00 1.00 H new ATOM 0 HE2 TYR A 35 41.481 7.408 18.613 1.00 1.00 H new ATOM 0 HH TYR A 35 41.711 9.622 18.775 1.00 1.00 H new ATOM 510 N MET A 36 36.141 4.361 23.130 1.00 1.00 N ATOM 511 CA MET A 36 34.799 4.420 23.695 1.00 1.00 C ATOM 512 C MET A 36 34.855 4.276 25.211 1.00 1.00 C ATOM 513 O MET A 36 34.197 5.019 25.941 1.00 1.00 O ATOM 514 CB MET A 36 33.936 3.303 23.106 1.00 1.00 C ATOM 515 CG MET A 36 33.810 3.502 21.595 1.00 1.00 C ATOM 516 SD MET A 36 32.062 3.642 21.147 1.00 1.00 S ATOM 517 CE MET A 36 31.963 5.448 21.188 1.00 1.00 C ATOM 0 H MET A 36 36.311 3.562 22.520 1.00 1.00 H new ATOM 0 HA MET A 36 34.360 5.386 23.447 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.383 2.332 23.320 1.00 1.00 H new ATOM 0 HB3 MET A 36 32.949 3.309 23.568 1.00 1.00 H new ATOM 0 HG2 MET A 36 34.347 4.400 21.290 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.265 2.663 21.068 1.00 1.00 H new ATOM 0 HE1 MET A 36 30.950 5.763 20.937 1.00 1.00 H new ATOM 0 HE2 MET A 36 32.217 5.804 22.187 1.00 1.00 H new ATOM 0 HE3 MET A 36 32.663 5.867 20.465 1.00 1.00 H new ATOM 527 N LEU A 37 35.649 3.320 25.680 1.00 1.00 N ATOM 528 CA LEU A 37 35.789 3.088 27.111 1.00 1.00 C ATOM 529 C LEU A 37 36.177 4.379 27.824 1.00 1.00 C ATOM 530 O LEU A 37 36.157 4.452 29.053 1.00 1.00 O ATOM 531 CB LEU A 37 36.856 2.021 27.365 1.00 1.00 C ATOM 532 CG LEU A 37 36.274 0.915 28.248 1.00 1.00 C ATOM 533 CD1 LEU A 37 35.205 0.147 27.469 1.00 1.00 C ATOM 534 CD2 LEU A 37 37.392 -0.046 28.660 1.00 1.00 C ATOM 0 H LEU A 37 36.203 2.696 25.093 1.00 1.00 H new ATOM 0 HA LEU A 37 34.832 2.743 27.501 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.199 1.602 26.419 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.724 2.468 27.849 1.00 1.00 H new ATOM 0 HG LEU A 37 35.826 1.358 29.137 1.00 1.00 H new ATOM 0 HD11 LEU A 37 34.791 -0.640 28.099 1.00 1.00 H new ATOM 0 HD12 LEU A 37 34.409 0.830 27.173 1.00 1.00 H new ATOM 0 HD13 LEU A 37 35.652 -0.297 26.579 1.00 1.00 H new ATOM 0 HD21 LEU A 37 36.980 -0.835 29.289 1.00 1.00 H new ATOM 0 HD22 LEU A 37 37.838 -0.488 27.769 1.00 1.00 H new ATOM 0 HD23 LEU A 37 38.155 0.500 29.215 1.00 1.00 H new ATOM 546 N VAL A 38 36.530 5.395 27.041 1.00 1.00 N ATOM 547 CA VAL A 38 36.925 6.683 27.600 1.00 1.00 C ATOM 548 C VAL A 38 35.849 7.734 27.341 1.00 1.00 C ATOM 549 O VAL A 38 35.871 8.816 27.928 1.00 1.00 O ATOM 550 CB VAL A 38 38.245 7.139 26.975 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.545 8.576 27.407 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.375 6.221 27.447 1.00 1.00 C ATOM 0 H VAL A 38 36.550 5.351 26.022 1.00 1.00 H new ATOM 0 HA VAL A 38 37.052 6.567 28.676 1.00 1.00 H new ATOM 0 HB VAL A 38 38.167 7.094 25.889 1.00 1.00 H new ATOM 0 HG11 VAL A 38 39.485 8.901 26.962 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.740 9.232 27.074 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.623 8.621 28.493 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.316 6.545 27.003 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.452 6.267 28.533 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.163 5.196 27.142 1.00 1.00 H new ATOM 562 N PHE A 39 34.910 7.409 26.458 1.00 1.00 N ATOM 563 CA PHE A 39 33.832 8.335 26.129 1.00 1.00 C ATOM 564 C PHE A 39 32.608 8.066 26.998 1.00 1.00 C ATOM 565 O PHE A 39 31.897 8.992 27.390 1.00 1.00 O ATOM 566 CB PHE A 39 33.453 8.189 24.654 1.00 1.00 C ATOM 567 CG PHE A 39 32.943 9.511 24.132 1.00 1.00 C ATOM 568 CD1 PHE A 39 33.838 10.558 23.884 1.00 1.00 C ATOM 569 CD2 PHE A 39 31.575 9.690 23.894 1.00 1.00 C ATOM 570 CE1 PHE A 39 33.366 11.784 23.399 1.00 1.00 C ATOM 571 CE2 PHE A 39 31.102 10.915 23.409 1.00 1.00 C ATOM 572 CZ PHE A 39 31.998 11.962 23.163 1.00 1.00 C ATOM 0 H PHE A 39 34.873 6.519 25.961 1.00 1.00 H new ATOM 0 HA PHE A 39 34.181 9.350 26.318 1.00 1.00 H new ATOM 0 HB2 PHE A 39 34.319 7.867 24.075 1.00 1.00 H new ATOM 0 HB3 PHE A 39 32.688 7.421 24.538 1.00 1.00 H new ATOM 0 HD1 PHE A 39 34.893 10.420 24.067 1.00 1.00 H new ATOM 0 HD2 PHE A 39 30.884 8.882 24.085 1.00 1.00 H new ATOM 0 HE1 PHE A 39 34.057 12.591 23.207 1.00 1.00 H new ATOM 0 HE2 PHE A 39 30.047 11.052 23.225 1.00 1.00 H new ATOM 0 HZ PHE A 39 31.633 12.908 22.791 1.00 1.00 H new ATOM 582 N LEU A 40 32.368 6.794 27.298 1.00 1.00 N ATOM 583 CA LEU A 40 31.226 6.414 28.122 1.00 1.00 C ATOM 584 C LEU A 40 31.634 6.284 29.585 1.00 1.00 C ATOM 585 O LEU A 40 30.790 6.312 30.480 1.00 1.00 O ATOM 586 CB LEU A 40 30.639 5.086 27.632 1.00 1.00 C ATOM 587 CG LEU A 40 31.721 4.001 27.636 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.537 3.095 28.855 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.601 3.162 26.363 1.00 1.00 C ATOM 0 H LEU A 40 32.945 6.013 26.985 1.00 1.00 H new ATOM 0 HA LEU A 40 30.471 7.196 28.037 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.810 4.787 28.273 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.237 5.206 26.626 1.00 1.00 H new ATOM 0 HG LEU A 40 32.704 4.471 27.678 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.308 2.324 28.855 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.618 3.689 29.765 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.554 2.625 28.814 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.370 2.389 26.363 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.617 2.695 26.326 1.00 1.00 H new ATOM 0 HD23 LEU A 40 31.731 3.803 25.491 1.00 1.00 H new ATOM 601 N LEU A 41 32.934 6.141 29.822 1.00 1.00 N ATOM 602 CA LEU A 41 33.441 6.006 31.183 1.00 1.00 C ATOM 603 C LEU A 41 32.727 6.975 32.121 1.00 1.00 C ATOM 604 O LEU A 41 32.179 6.571 33.146 1.00 1.00 O ATOM 605 CB LEU A 41 34.945 6.282 31.209 1.00 1.00 C ATOM 606 CG LEU A 41 35.671 5.102 31.856 1.00 1.00 C ATOM 607 CD1 LEU A 41 37.178 5.367 31.855 1.00 1.00 C ATOM 608 CD2 LEU A 41 35.185 4.934 33.298 1.00 1.00 C ATOM 0 H LEU A 41 33.650 6.116 29.096 1.00 1.00 H new ATOM 0 HA LEU A 41 33.253 4.987 31.521 1.00 1.00 H new ATOM 0 HB2 LEU A 41 35.314 6.438 30.195 1.00 1.00 H new ATOM 0 HB3 LEU A 41 35.148 7.197 31.766 1.00 1.00 H new ATOM 0 HG LEU A 41 35.461 4.193 31.292 1.00 1.00 H new ATOM 0 HD11 LEU A 41 37.696 4.526 32.316 1.00 1.00 H new ATOM 0 HD12 LEU A 41 37.525 5.488 30.829 1.00 1.00 H new ATOM 0 HD13 LEU A 41 37.388 6.276 32.419 1.00 1.00 H new ATOM 0 HD21 LEU A 41 35.702 4.093 33.760 1.00 1.00 H new ATOM 0 HD22 LEU A 41 35.395 5.843 33.861 1.00 1.00 H new ATOM 0 HD23 LEU A 41 34.111 4.746 33.301 1.00 1.00 H new ATOM 620 N GLY A 42 32.738 8.255 31.762 1.00 1.00 N ATOM 621 CA GLY A 42 32.088 9.272 32.581 1.00 1.00 C ATOM 622 C GLY A 42 31.997 10.597 31.831 1.00 1.00 C ATOM 623 O GLY A 42 32.378 11.643 32.355 1.00 1.00 O ATOM 0 H GLY A 42 33.186 8.610 30.917 1.00 1.00 H new ATOM 0 HA2 GLY A 42 31.089 8.937 32.859 1.00 1.00 H new ATOM 0 HA3 GLY A 42 32.646 9.411 33.507 1.00 1.00 H new ATOM 627 N THR A 43 31.488 10.544 30.604 1.00 1.00 N ATOM 628 CA THR A 43 31.350 11.747 29.791 1.00 1.00 C ATOM 629 C THR A 43 29.992 11.771 29.097 1.00 1.00 C ATOM 630 O THR A 43 29.230 12.727 29.236 1.00 1.00 O ATOM 631 CB THR A 43 32.461 11.799 28.740 1.00 1.00 C ATOM 632 OG1 THR A 43 31.940 11.393 27.482 1.00 1.00 O ATOM 633 CG2 THR A 43 33.601 10.863 29.148 1.00 1.00 C ATOM 0 H THR A 43 31.166 9.687 30.153 1.00 1.00 H new ATOM 0 HA THR A 43 31.428 12.615 30.446 1.00 1.00 H new ATOM 0 HB THR A 43 32.841 12.818 28.666 1.00 1.00 H new ATOM 0 HG1 THR A 43 32.357 10.548 27.212 1.00 1.00 H new ATOM 0 HG21 THR A 43 34.390 10.902 28.397 1.00 1.00 H new ATOM 0 HG22 THR A 43 34.001 11.176 30.112 1.00 1.00 H new ATOM 0 HG23 THR A 43 33.224 9.843 29.225 1.00 1.00 H new ATOM 641 N THR A 44 29.696 10.712 28.350 1.00 1.00 N ATOM 642 CA THR A 44 28.426 10.622 27.638 1.00 1.00 C ATOM 643 C THR A 44 27.346 10.033 28.541 1.00 1.00 C ATOM 644 O THR A 44 26.924 10.662 29.511 1.00 1.00 O ATOM 645 CB THR A 44 28.588 9.750 26.391 1.00 1.00 C ATOM 646 OG1 THR A 44 29.596 10.305 25.557 1.00 1.00 O ATOM 647 CG2 THR A 44 27.264 9.696 25.627 1.00 1.00 C ATOM 0 H THR A 44 30.313 9.910 28.222 1.00 1.00 H new ATOM 0 HA THR A 44 28.124 11.626 27.340 1.00 1.00 H new ATOM 0 HB THR A 44 28.874 8.741 26.687 1.00 1.00 H new ATOM 0 HG1 THR A 44 30.324 9.658 25.450 1.00 1.00 H new ATOM 0 HG21 THR A 44 27.381 9.075 24.739 1.00 1.00 H new ATOM 0 HG22 THR A 44 26.491 9.271 26.268 1.00 1.00 H new ATOM 0 HG23 THR A 44 26.975 10.704 25.329 1.00 1.00 H new ATOM 655 N GLY A 45 26.904 8.822 28.217 1.00 1.00 N ATOM 656 CA GLY A 45 25.874 8.159 29.007 1.00 1.00 C ATOM 657 C GLY A 45 26.439 7.671 30.337 1.00 1.00 C ATOM 658 O GLY A 45 26.030 8.134 31.403 1.00 1.00 O ATOM 0 H GLY A 45 27.240 8.283 27.419 1.00 1.00 H new ATOM 0 HA2 GLY A 45 25.049 8.848 29.188 1.00 1.00 H new ATOM 0 HA3 GLY A 45 25.468 7.316 28.448 1.00 1.00 H new ATOM 662 N ASN A 46 27.378 6.735 30.267 1.00 1.00 N ATOM 663 CA ASN A 46 27.992 6.192 31.473 1.00 1.00 C ATOM 664 C ASN A 46 26.934 5.578 32.384 1.00 1.00 C ATOM 665 O ASN A 46 26.043 6.273 32.872 1.00 1.00 O ATOM 666 CB ASN A 46 28.736 7.298 32.224 1.00 1.00 C ATOM 667 CG ASN A 46 29.055 8.448 31.275 1.00 1.00 C ATOM 668 OD1 ASN A 46 29.329 8.223 30.096 1.00 1.00 O ATOM 669 ND2 ASN A 46 29.040 9.673 31.722 1.00 1.00 N ATOM 0 H ASN A 46 27.729 6.339 29.395 1.00 1.00 H new ATOM 0 HA ASN A 46 28.697 5.414 31.180 1.00 1.00 H new ATOM 0 HB2 ASN A 46 28.128 7.658 33.054 1.00 1.00 H new ATOM 0 HB3 ASN A 46 29.657 6.902 32.652 1.00 1.00 H new ATOM 0 HD21 ASN A 46 29.256 10.448 31.094 1.00 1.00 H new ATOM 0 HD22 ASN A 46 28.813 9.857 32.699 1.00 1.00 H new ATOM 676 N GLY A 47 27.037 4.272 32.609 1.00 1.00 N ATOM 677 CA GLY A 47 26.083 3.576 33.463 1.00 1.00 C ATOM 678 C GLY A 47 24.773 3.325 32.723 1.00 1.00 C ATOM 679 O GLY A 47 24.029 2.401 33.054 1.00 1.00 O ATOM 0 H GLY A 47 27.767 3.678 32.215 1.00 1.00 H new ATOM 0 HA2 GLY A 47 26.507 2.627 33.791 1.00 1.00 H new ATOM 0 HA3 GLY A 47 25.892 4.167 34.359 1.00 1.00 H new ATOM 683 N LEU A 48 24.498 4.152 31.720 1.00 1.00 N ATOM 684 CA LEU A 48 23.274 4.010 30.940 1.00 1.00 C ATOM 685 C LEU A 48 23.560 3.303 29.619 1.00 1.00 C ATOM 686 O LEU A 48 22.796 2.439 29.188 1.00 1.00 O ATOM 687 CB LEU A 48 22.668 5.387 30.664 1.00 1.00 C ATOM 688 CG LEU A 48 21.214 5.411 31.138 1.00 1.00 C ATOM 689 CD1 LEU A 48 20.618 6.797 30.890 1.00 1.00 C ATOM 690 CD2 LEU A 48 20.409 4.365 30.363 1.00 1.00 C ATOM 0 H LEU A 48 25.101 4.922 31.430 1.00 1.00 H new ATOM 0 HA LEU A 48 22.567 3.411 31.514 1.00 1.00 H new ATOM 0 HB2 LEU A 48 23.242 6.158 31.178 1.00 1.00 H new ATOM 0 HB3 LEU A 48 22.718 5.611 29.598 1.00 1.00 H new ATOM 0 HG LEU A 48 21.176 5.185 32.204 1.00 1.00 H new ATOM 0 HD11 LEU A 48 19.582 6.813 31.228 1.00 1.00 H new ATOM 0 HD12 LEU A 48 21.191 7.543 31.440 1.00 1.00 H new ATOM 0 HD13 LEU A 48 20.656 7.024 29.825 1.00 1.00 H new ATOM 0 HD21 LEU A 48 19.372 4.381 30.700 1.00 1.00 H new ATOM 0 HD22 LEU A 48 20.448 4.592 29.298 1.00 1.00 H new ATOM 0 HD23 LEU A 48 20.833 3.376 30.539 1.00 1.00 H new ATOM 702 N VAL A 49 24.664 3.676 28.981 1.00 1.00 N ATOM 703 CA VAL A 49 25.041 3.071 27.708 1.00 1.00 C ATOM 704 C VAL A 49 25.244 1.568 27.870 1.00 1.00 C ATOM 705 O VAL A 49 25.234 0.822 26.891 1.00 1.00 O ATOM 706 CB VAL A 49 26.330 3.709 27.188 1.00 1.00 C ATOM 707 CG1 VAL A 49 26.890 2.866 26.041 1.00 1.00 C ATOM 708 CG2 VAL A 49 26.030 5.121 26.682 1.00 1.00 C ATOM 0 H VAL A 49 25.310 4.389 29.321 1.00 1.00 H new ATOM 0 HA VAL A 49 24.237 3.243 26.992 1.00 1.00 H new ATOM 0 HB VAL A 49 27.062 3.758 27.994 1.00 1.00 H new ATOM 0 HG11 VAL A 49 27.809 3.321 25.670 1.00 1.00 H new ATOM 0 HG12 VAL A 49 27.103 1.859 26.400 1.00 1.00 H new ATOM 0 HG13 VAL A 49 26.158 2.817 25.235 1.00 1.00 H new ATOM 0 HG21 VAL A 49 26.948 5.577 26.311 1.00 1.00 H new ATOM 0 HG22 VAL A 49 25.298 5.071 25.876 1.00 1.00 H new ATOM 0 HG23 VAL A 49 25.630 5.723 27.498 1.00 1.00 H new ATOM 718 N LEU A 50 25.427 1.130 29.112 1.00 1.00 N ATOM 719 CA LEU A 50 25.633 -0.286 29.389 1.00 1.00 C ATOM 720 C LEU A 50 24.304 -0.969 29.701 1.00 1.00 C ATOM 721 O LEU A 50 24.185 -2.190 29.610 1.00 1.00 O ATOM 722 CB LEU A 50 26.585 -0.454 30.575 1.00 1.00 C ATOM 723 CG LEU A 50 27.869 0.335 30.314 1.00 1.00 C ATOM 724 CD1 LEU A 50 27.880 1.594 31.183 1.00 1.00 C ATOM 725 CD2 LEU A 50 29.080 -0.534 30.660 1.00 1.00 C ATOM 0 H LEU A 50 25.437 1.731 29.936 1.00 1.00 H new ATOM 0 HA LEU A 50 26.070 -0.750 28.505 1.00 1.00 H new ATOM 0 HB2 LEU A 50 26.109 -0.102 31.490 1.00 1.00 H new ATOM 0 HB3 LEU A 50 26.817 -1.509 30.722 1.00 1.00 H new ATOM 0 HG LEU A 50 27.914 0.619 29.263 1.00 1.00 H new ATOM 0 HD11 LEU A 50 28.795 2.156 30.997 1.00 1.00 H new ATOM 0 HD12 LEU A 50 27.017 2.213 30.937 1.00 1.00 H new ATOM 0 HD13 LEU A 50 27.836 1.311 32.235 1.00 1.00 H new ATOM 0 HD21 LEU A 50 29.996 0.027 30.474 1.00 1.00 H new ATOM 0 HD22 LEU A 50 29.035 -0.818 31.711 1.00 1.00 H new ATOM 0 HD23 LEU A 50 29.073 -1.431 30.041 1.00 1.00 H new ATOM 737 N TRP A 51 23.308 -0.171 30.072 1.00 1.00 N ATOM 738 CA TRP A 51 21.991 -0.709 30.395 1.00 1.00 C ATOM 739 C TRP A 51 21.348 -1.328 29.159 1.00 1.00 C ATOM 740 O TRP A 51 20.601 -2.302 29.260 1.00 1.00 O ATOM 741 CB TRP A 51 21.092 0.403 30.938 1.00 1.00 C ATOM 742 CG TRP A 51 19.879 0.531 30.073 1.00 1.00 C ATOM 743 CD1 TRP A 51 19.852 1.120 28.856 1.00 1.00 C ATOM 744 CD2 TRP A 51 18.522 0.072 30.336 1.00 1.00 C ATOM 745 NE1 TRP A 51 18.564 1.051 28.355 1.00 1.00 N ATOM 746 CE2 TRP A 51 17.708 0.414 29.230 1.00 1.00 C ATOM 747 CE3 TRP A 51 17.923 -0.603 31.417 1.00 1.00 C ATOM 748 CZ2 TRP A 51 16.349 0.099 29.197 1.00 1.00 C ATOM 749 CZ3 TRP A 51 16.556 -0.921 31.386 1.00 1.00 C ATOM 750 CH2 TRP A 51 15.770 -0.571 30.278 1.00 1.00 C ATOM 0 H TRP A 51 23.386 0.843 30.156 1.00 1.00 H new ATOM 0 HA TRP A 51 22.111 -1.482 31.154 1.00 1.00 H new ATOM 0 HB2 TRP A 51 20.798 0.179 31.964 1.00 1.00 H new ATOM 0 HB3 TRP A 51 21.637 1.347 30.961 1.00 1.00 H new ATOM 0 HD1 TRP A 51 20.697 1.570 28.357 1.00 1.00 H new ATOM 0 HE1 TRP A 51 18.282 1.425 27.449 1.00 1.00 H new ATOM 0 HE3 TRP A 51 18.519 -0.878 32.275 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 15.749 0.371 28.342 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 16.107 -1.438 32.221 1.00 1.00 H new ATOM 0 HH2 TRP A 51 14.719 -0.819 30.260 1.00 1.00 H new ATOM 761 N THR A 52 21.641 -0.758 27.996 1.00 1.00 N ATOM 762 CA THR A 52 21.084 -1.263 26.746 1.00 1.00 C ATOM 763 C THR A 52 21.720 -2.600 26.379 1.00 1.00 C ATOM 764 O THR A 52 21.042 -3.511 25.905 1.00 1.00 O ATOM 765 CB THR A 52 21.326 -0.255 25.620 1.00 1.00 C ATOM 766 OG1 THR A 52 20.345 0.771 25.687 1.00 1.00 O ATOM 767 CG2 THR A 52 21.234 -0.965 24.269 1.00 1.00 C ATOM 0 H THR A 52 22.257 0.049 27.892 1.00 1.00 H new ATOM 0 HA THR A 52 20.012 -1.407 26.880 1.00 1.00 H new ATOM 0 HB THR A 52 22.318 0.183 25.730 1.00 1.00 H new ATOM 0 HG1 THR A 52 20.065 0.896 26.618 1.00 1.00 H new ATOM 0 HG21 THR A 52 21.406 -0.246 23.468 1.00 1.00 H new ATOM 0 HG22 THR A 52 21.987 -1.752 24.219 1.00 1.00 H new ATOM 0 HG23 THR A 52 20.243 -1.404 24.155 1.00 1.00 H new ATOM 775 N VAL A 53 23.026 -2.711 26.602 1.00 1.00 N ATOM 776 CA VAL A 53 23.742 -3.942 26.291 1.00 1.00 C ATOM 777 C VAL A 53 23.307 -5.066 27.225 1.00 1.00 C ATOM 778 O VAL A 53 23.431 -6.245 26.895 1.00 1.00 O ATOM 779 CB VAL A 53 25.249 -3.718 26.427 1.00 1.00 C ATOM 780 CG1 VAL A 53 26.000 -4.855 25.732 1.00 1.00 C ATOM 781 CG2 VAL A 53 25.626 -2.386 25.774 1.00 1.00 C ATOM 0 H VAL A 53 23.606 -1.969 26.994 1.00 1.00 H new ATOM 0 HA VAL A 53 23.508 -4.227 25.265 1.00 1.00 H new ATOM 0 HB VAL A 53 25.519 -3.697 27.483 1.00 1.00 H new ATOM 0 HG11 VAL A 53 27.074 -4.695 25.829 1.00 1.00 H new ATOM 0 HG12 VAL A 53 25.731 -5.805 26.195 1.00 1.00 H new ATOM 0 HG13 VAL A 53 25.731 -4.877 24.676 1.00 1.00 H new ATOM 0 HG21 VAL A 53 26.700 -2.225 25.870 1.00 1.00 H new ATOM 0 HG22 VAL A 53 25.355 -2.409 24.718 1.00 1.00 H new ATOM 0 HG23 VAL A 53 25.092 -1.574 26.268 1.00 1.00 H new ATOM 791 N PHE A 54 22.796 -4.694 28.394 1.00 1.00 N ATOM 792 CA PHE A 54 22.345 -5.679 29.369 1.00 1.00 C ATOM 793 C PHE A 54 20.851 -5.942 29.214 1.00 1.00 C ATOM 794 O PHE A 54 20.257 -6.687 29.993 1.00 1.00 O ATOM 795 CB PHE A 54 22.635 -5.184 30.787 1.00 1.00 C ATOM 796 CG PHE A 54 23.560 -6.153 31.480 1.00 1.00 C ATOM 797 CD1 PHE A 54 23.073 -7.386 31.932 1.00 1.00 C ATOM 798 CD2 PHE A 54 24.907 -5.821 31.672 1.00 1.00 C ATOM 799 CE1 PHE A 54 23.932 -8.285 32.575 1.00 1.00 C ATOM 800 CE2 PHE A 54 25.766 -6.720 32.316 1.00 1.00 C ATOM 801 CZ PHE A 54 25.278 -7.952 32.766 1.00 1.00 C ATOM 0 H PHE A 54 22.684 -3.724 28.688 1.00 1.00 H new ATOM 0 HA PHE A 54 22.886 -6.609 29.193 1.00 1.00 H new ATOM 0 HB2 PHE A 54 23.089 -4.194 30.752 1.00 1.00 H new ATOM 0 HB3 PHE A 54 21.705 -5.089 31.347 1.00 1.00 H new ATOM 0 HD1 PHE A 54 22.035 -7.643 31.784 1.00 1.00 H new ATOM 0 HD2 PHE A 54 25.284 -4.871 31.323 1.00 1.00 H new ATOM 0 HE1 PHE A 54 23.556 -9.236 32.924 1.00 1.00 H new ATOM 0 HE2 PHE A 54 26.804 -6.463 32.465 1.00 1.00 H new ATOM 0 HZ PHE A 54 25.941 -8.646 33.261 1.00 1.00 H new ATOM 811 N ARG A 55 20.248 -5.322 28.204 1.00 1.00 N ATOM 812 CA ARG A 55 18.821 -5.495 27.956 1.00 1.00 C ATOM 813 C ARG A 55 18.591 -6.460 26.796 1.00 1.00 C ATOM 814 O ARG A 55 17.847 -7.431 26.923 1.00 1.00 O ATOM 815 CB ARG A 55 18.180 -4.144 27.633 1.00 1.00 C ATOM 816 CG ARG A 55 17.882 -3.396 28.934 1.00 1.00 C ATOM 817 CD ARG A 55 16.445 -3.688 29.372 1.00 1.00 C ATOM 818 NE ARG A 55 16.100 -5.074 29.081 1.00 1.00 N ATOM 819 CZ ARG A 55 15.087 -5.674 29.697 1.00 1.00 C ATOM 820 NH1 ARG A 55 14.382 -5.022 30.580 1.00 1.00 N ATOM 821 NH2 ARG A 55 14.797 -6.916 29.419 1.00 1.00 N ATOM 0 H ARG A 55 20.721 -4.700 27.549 1.00 1.00 H new ATOM 0 HA ARG A 55 18.363 -5.909 28.854 1.00 1.00 H new ATOM 0 HB2 ARG A 55 18.848 -3.553 27.006 1.00 1.00 H new ATOM 0 HB3 ARG A 55 17.260 -4.292 27.067 1.00 1.00 H new ATOM 0 HG2 ARG A 55 18.581 -3.705 29.712 1.00 1.00 H new ATOM 0 HG3 ARG A 55 18.019 -2.324 28.790 1.00 1.00 H new ATOM 0 HD2 ARG A 55 16.337 -3.495 30.439 1.00 1.00 H new ATOM 0 HD3 ARG A 55 15.757 -3.019 28.856 1.00 1.00 H new ATOM 0 HE ARG A 55 16.646 -5.592 28.393 1.00 1.00 H new ATOM 0 HH11 ARG A 55 14.608 -4.052 30.798 1.00 1.00 H new ATOM 0 HH12 ARG A 55 13.604 -5.483 31.053 1.00 1.00 H new ATOM 0 HH21 ARG A 55 15.348 -7.426 28.729 1.00 1.00 H new ATOM 0 HH22 ARG A 55 14.019 -7.376 29.892 1.00 1.00 H new ATOM 835 N LYS A 56 19.236 -6.184 25.668 1.00 1.00 N ATOM 836 CA LYS A 56 19.093 -7.034 24.492 1.00 1.00 C ATOM 837 C LYS A 56 19.692 -8.413 24.750 1.00 1.00 C ATOM 838 O LYS A 56 19.135 -9.430 24.336 1.00 1.00 O ATOM 839 CB LYS A 56 19.789 -6.389 23.291 1.00 1.00 C ATOM 840 CG LYS A 56 21.280 -6.224 23.590 1.00 1.00 C ATOM 841 CD LYS A 56 21.797 -4.947 22.924 1.00 1.00 C ATOM 842 CE LYS A 56 23.311 -5.047 22.733 1.00 1.00 C ATOM 843 NZ LYS A 56 23.923 -3.698 22.894 1.00 1.00 N ATOM 0 H LYS A 56 19.858 -5.385 25.543 1.00 1.00 H new ATOM 0 HA LYS A 56 18.030 -7.147 24.277 1.00 1.00 H new ATOM 0 HB2 LYS A 56 19.652 -7.007 22.403 1.00 1.00 H new ATOM 0 HB3 LYS A 56 19.341 -5.419 23.076 1.00 1.00 H new ATOM 0 HG2 LYS A 56 21.443 -6.176 24.667 1.00 1.00 H new ATOM 0 HG3 LYS A 56 21.833 -7.088 23.222 1.00 1.00 H new ATOM 0 HD2 LYS A 56 21.307 -4.803 21.961 1.00 1.00 H new ATOM 0 HD3 LYS A 56 21.554 -4.080 23.538 1.00 1.00 H new ATOM 0 HE2 LYS A 56 23.735 -5.739 23.460 1.00 1.00 H new ATOM 0 HE3 LYS A 56 23.538 -5.445 21.744 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 24.929 -3.800 23.136 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 23.833 -3.167 22.004 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 23.435 -3.184 23.655 1.00 1.00 H new ATOM 857 N LYS A 57 20.829 -8.440 25.438 1.00 1.00 N ATOM 858 CA LYS A 57 21.493 -9.701 25.746 1.00 1.00 C ATOM 859 C LYS A 57 20.871 -10.343 26.982 1.00 1.00 C ATOM 860 O LYS A 57 21.563 -10.637 27.957 1.00 1.00 O ATOM 861 CB LYS A 57 22.985 -9.462 25.987 1.00 1.00 C ATOM 862 CG LYS A 57 23.701 -9.316 24.643 1.00 1.00 C ATOM 863 CD LYS A 57 24.826 -8.286 24.772 1.00 1.00 C ATOM 864 CE LYS A 57 25.804 -8.733 25.860 1.00 1.00 C ATOM 865 NZ LYS A 57 25.413 -8.122 27.162 1.00 1.00 N ATOM 0 H LYS A 57 21.306 -7.610 25.790 1.00 1.00 H new ATOM 0 HA LYS A 57 21.368 -10.374 24.898 1.00 1.00 H new ATOM 0 HB2 LYS A 57 23.128 -8.563 26.587 1.00 1.00 H new ATOM 0 HB3 LYS A 57 23.411 -10.292 26.550 1.00 1.00 H new ATOM 0 HG2 LYS A 57 24.108 -10.277 24.330 1.00 1.00 H new ATOM 0 HG3 LYS A 57 22.994 -9.004 23.874 1.00 1.00 H new ATOM 0 HD2 LYS A 57 25.347 -8.180 23.821 1.00 1.00 H new ATOM 0 HD3 LYS A 57 24.412 -7.308 25.019 1.00 1.00 H new ATOM 0 HE2 LYS A 57 25.802 -9.820 25.941 1.00 1.00 H new ATOM 0 HE3 LYS A 57 26.819 -8.435 25.596 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 26.226 -7.615 27.566 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 24.629 -7.455 27.011 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 25.110 -8.869 27.819 1.00 1.00 H new ATOM 879 N GLY A 58 19.561 -10.558 26.936 1.00 1.00 N ATOM 880 CA GLY A 58 18.855 -11.165 28.058 1.00 1.00 C ATOM 881 C GLY A 58 18.723 -12.672 27.868 1.00 1.00 C ATOM 882 O GLY A 58 17.656 -13.170 27.506 1.00 1.00 O ATOM 0 H GLY A 58 18.969 -10.323 26.139 1.00 1.00 H new ATOM 0 HA2 GLY A 58 19.390 -10.957 28.985 1.00 1.00 H new ATOM 0 HA3 GLY A 58 17.865 -10.719 28.154 1.00 1.00 H new ATOM 886 N HIS A 59 19.812 -13.392 28.112 1.00 1.00 N ATOM 887 CA HIS A 59 19.807 -14.842 27.963 1.00 1.00 C ATOM 888 C HIS A 59 20.761 -15.488 28.963 1.00 1.00 C ATOM 889 O HIS A 59 20.341 -15.974 30.013 1.00 1.00 O ATOM 890 CB HIS A 59 20.221 -15.224 26.541 1.00 1.00 C ATOM 891 CG HIS A 59 19.058 -15.024 25.609 1.00 1.00 C ATOM 892 ND1 HIS A 59 18.065 -15.978 25.452 1.00 1.00 N ATOM 893 CD2 HIS A 59 18.717 -13.987 24.778 1.00 1.00 C ATOM 894 CE1 HIS A 59 17.181 -15.499 24.558 1.00 1.00 C ATOM 895 NE2 HIS A 59 17.530 -14.288 24.116 1.00 1.00 N ATOM 0 H HIS A 59 20.704 -12.999 28.412 1.00 1.00 H new ATOM 0 HA HIS A 59 18.797 -15.203 28.156 1.00 1.00 H new ATOM 0 HB2 HIS A 59 21.066 -14.615 26.221 1.00 1.00 H new ATOM 0 HB3 HIS A 59 20.549 -16.263 26.513 1.00 1.00 H new ATOM 0 HD2 HIS A 59 19.283 -13.076 24.656 1.00 1.00 H new ATOM 0 HE1 HIS A 59 16.297 -16.029 24.237 1.00 1.00 H new ATOM 0 HE2 HIS A 59 17.034 -13.708 23.439 1.00 1.00 H new ATOM 903 N HIS A 60 22.049 -15.488 28.631 1.00 1.00 N ATOM 904 CA HIS A 60 23.054 -16.075 29.508 1.00 1.00 C ATOM 905 C HIS A 60 22.955 -15.482 30.910 1.00 1.00 C ATOM 906 O HIS A 60 22.321 -14.447 31.113 1.00 1.00 O ATOM 907 CB HIS A 60 24.452 -15.823 28.943 1.00 1.00 C ATOM 908 CG HIS A 60 24.709 -16.765 27.799 1.00 1.00 C ATOM 909 ND1 HIS A 60 23.742 -17.056 26.850 1.00 1.00 N ATOM 910 CD2 HIS A 60 25.818 -17.489 27.438 1.00 1.00 C ATOM 911 CE1 HIS A 60 24.281 -17.922 25.972 1.00 1.00 C ATOM 912 NE2 HIS A 60 25.546 -18.218 26.285 1.00 1.00 N ATOM 0 H HIS A 60 22.418 -15.091 27.767 1.00 1.00 H new ATOM 0 HA HIS A 60 22.874 -17.149 29.567 1.00 1.00 H new ATOM 0 HB2 HIS A 60 24.538 -14.791 28.604 1.00 1.00 H new ATOM 0 HB3 HIS A 60 25.202 -15.966 29.721 1.00 1.00 H new ATOM 0 HD2 HIS A 60 26.759 -17.492 27.969 1.00 1.00 H new ATOM 0 HE1 HIS A 60 23.756 -18.328 25.120 1.00 1.00 H new ATOM 0 HE2 HIS A 60 26.177 -18.844 25.785 1.00 1.00 H new ATOM 920 N HIS A 61 23.585 -16.146 31.873 1.00 1.00 N ATOM 921 CA HIS A 61 23.561 -15.675 33.253 1.00 1.00 C ATOM 922 C HIS A 61 24.863 -14.959 33.598 1.00 1.00 C ATOM 923 O HIS A 61 25.779 -15.556 34.164 1.00 1.00 O ATOM 924 CB HIS A 61 23.357 -16.855 34.205 1.00 1.00 C ATOM 925 CG HIS A 61 21.973 -17.413 34.024 1.00 1.00 C ATOM 926 ND1 HIS A 61 20.958 -17.184 34.940 1.00 1.00 N ATOM 927 CD2 HIS A 61 21.418 -18.191 33.038 1.00 1.00 C ATOM 928 CE1 HIS A 61 19.856 -17.813 34.492 1.00 1.00 C ATOM 929 NE2 HIS A 61 20.083 -18.443 33.335 1.00 1.00 N ATOM 0 H HIS A 61 24.115 -17.005 31.726 1.00 1.00 H new ATOM 0 HA HIS A 61 22.734 -14.973 33.363 1.00 1.00 H new ATOM 0 HB2 HIS A 61 24.100 -17.627 34.008 1.00 1.00 H new ATOM 0 HB3 HIS A 61 23.498 -16.532 35.236 1.00 1.00 H new ATOM 0 HD2 HIS A 61 21.939 -18.553 32.164 1.00 1.00 H new ATOM 0 HE1 HIS A 61 18.905 -17.809 35.004 1.00 1.00 H new ATOM 0 HE2 HIS A 61 19.419 -18.991 32.787 1.00 1.00 H new ATOM 937 N HIS A 62 24.937 -13.678 33.253 1.00 1.00 N ATOM 938 CA HIS A 62 26.133 -12.891 33.532 1.00 1.00 C ATOM 939 C HIS A 62 26.451 -12.908 35.023 1.00 1.00 C ATOM 940 O HIS A 62 26.067 -12.002 35.761 1.00 1.00 O ATOM 941 CB HIS A 62 25.927 -11.448 33.070 1.00 1.00 C ATOM 942 CG HIS A 62 25.775 -11.417 31.574 1.00 1.00 C ATOM 943 ND1 HIS A 62 24.535 -11.460 30.955 1.00 1.00 N ATOM 944 CD2 HIS A 62 26.697 -11.348 30.559 1.00 1.00 C ATOM 945 CE1 HIS A 62 24.742 -11.417 29.626 1.00 1.00 C ATOM 946 NE2 HIS A 62 26.042 -11.348 29.330 1.00 1.00 N ATOM 0 H HIS A 62 24.190 -13.166 32.784 1.00 1.00 H new ATOM 0 HA HIS A 62 26.969 -13.331 32.989 1.00 1.00 H new ATOM 0 HB2 HIS A 62 25.041 -11.026 33.545 1.00 1.00 H new ATOM 0 HB3 HIS A 62 26.775 -10.833 33.373 1.00 1.00 H new ATOM 0 HD2 HIS A 62 27.768 -11.301 30.693 1.00 1.00 H new ATOM 0 HE1 HIS A 62 23.953 -11.436 28.889 1.00 1.00 H new ATOM 0 HE2 HIS A 62 26.465 -11.305 28.403 1.00 1.00 H new ATOM 954 N HIS A 63 27.156 -13.948 35.461 1.00 1.00 N ATOM 955 CA HIS A 63 27.521 -14.073 36.867 1.00 1.00 C ATOM 956 C HIS A 63 28.138 -12.775 37.379 1.00 1.00 C ATOM 957 O HIS A 63 28.385 -11.849 36.607 1.00 1.00 O ATOM 958 CB HIS A 63 28.516 -15.220 37.048 1.00 1.00 C ATOM 959 CG HIS A 63 29.798 -14.889 36.334 1.00 1.00 C ATOM 960 ND1 HIS A 63 29.857 -13.945 35.322 1.00 1.00 N ATOM 961 CD2 HIS A 63 31.077 -15.368 36.475 1.00 1.00 C ATOM 962 CE1 HIS A 63 31.133 -13.886 34.896 1.00 1.00 C ATOM 963 NE2 HIS A 63 31.917 -14.733 35.566 1.00 1.00 N ATOM 0 H HIS A 63 27.483 -14.710 34.867 1.00 1.00 H new ATOM 0 HA HIS A 63 26.618 -14.282 37.440 1.00 1.00 H new ATOM 0 HB2 HIS A 63 28.710 -15.384 38.108 1.00 1.00 H new ATOM 0 HB3 HIS A 63 28.096 -16.145 36.654 1.00 1.00 H new ATOM 0 HD2 HIS A 63 31.384 -16.123 37.184 1.00 1.00 H new ATOM 0 HE1 HIS A 63 31.480 -13.233 34.109 1.00 1.00 H new ATOM 0 HE2 HIS A 63 32.918 -14.883 35.439 1.00 1.00 H new ATOM 971 N HIS A 64 28.383 -12.716 38.684 1.00 1.00 N ATOM 972 CA HIS A 64 28.972 -11.526 39.288 1.00 1.00 C ATOM 973 C HIS A 64 30.281 -11.165 38.593 1.00 1.00 C ATOM 974 O HIS A 64 31.326 -11.448 39.156 1.00 1.00 O ATOM 975 CB HIS A 64 29.231 -11.770 40.775 1.00 1.00 C ATOM 976 CG HIS A 64 30.068 -13.008 40.943 1.00 1.00 C ATOM 977 ND1 HIS A 64 29.956 -14.096 40.093 1.00 1.00 N ATOM 978 CD2 HIS A 64 31.034 -13.344 41.858 1.00 1.00 C ATOM 979 CE1 HIS A 64 30.833 -15.029 40.509 1.00 1.00 C ATOM 980 NE2 HIS A 64 31.516 -14.621 41.582 1.00 1.00 N ATOM 981 OXT HIS A 64 30.220 -10.611 37.508 1.00 1.00 O ATOM 0 H HIS A 64 28.185 -13.472 39.339 1.00 1.00 H new ATOM 0 HA HIS A 64 28.273 -10.698 39.173 1.00 1.00 H new ATOM 0 HB2 HIS A 64 29.741 -10.911 41.212 1.00 1.00 H new ATOM 0 HB3 HIS A 64 28.286 -11.883 41.306 1.00 1.00 H new ATOM 0 HD2 HIS A 64 31.369 -12.714 42.669 1.00 1.00 H new ATOM 0 HE1 HIS A 64 30.968 -15.989 40.034 1.00 1.00 H new ATOM 0 HE2 HIS A 64 32.236 -15.135 42.090 1.00 1.00 H new TER 989 HIS A 64