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+ -159:sc= -0.0343 (180deg=-0.663) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0.0027) 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= -0.17 K(o=-0.17,f=-1.8!) USER MOD Single : A 16 GLN : amide:sc= -6.14! C(o=-6.1!,f=-2.3!) USER MOD Single : A 17 SER OG : rot -68:sc= 1.09 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 175:sc= 1.07 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 16:sc= 0.593 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -148:sc= -0.789 (180deg=-2.84!) USER MOD Single : A 43 THR OG1 : rot -159:sc= 0.645 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 46 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.022) USER MOD Single : A 52 THR OG1 : rot 9:sc= 1.68 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= -1.26! C(o=-1.3!,f=-2.4!) USER MOD Single : A 60 HIS : no HD1:sc= -1.4! C(o=-1.4!,f=-3.2!) USER MOD Single : A 61 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-2.8!) USER MOD Single : A 62 HIS : no HD1:sc= -0.365 X(o=-0.37,f=-0.022) USER MOD Single : A 63 HIS : no HD1:sc= -2 X(o=-2,f=-1.6) USER MOD Single : A 64 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.776 9.164 2.321 1.00 1.00 N ATOM 2 CA MET A 1 -3.094 9.824 2.098 1.00 1.00 C ATOM 3 C MET A 1 -3.172 10.325 0.660 1.00 1.00 C ATOM 4 O MET A 1 -2.152 10.469 -0.014 1.00 1.00 O ATOM 5 CB MET A 1 -3.244 10.997 3.069 1.00 1.00 C ATOM 6 CG MET A 1 -2.836 10.553 4.474 1.00 1.00 C ATOM 7 SD MET A 1 -3.365 11.797 5.678 1.00 1.00 S ATOM 8 CE MET A 1 -5.017 11.126 5.985 1.00 1.00 C ATOM 0 H1 MET A 1 -1.841 8.526 3.140 1.00 1.00 H new ATOM 0 H2 MET A 1 -1.514 8.617 1.476 1.00 1.00 H new ATOM 0 H3 MET A 1 -1.052 9.888 2.503 1.00 1.00 H new ATOM 0 HA MET A 1 -3.899 9.110 2.272 1.00 1.00 H new ATOM 0 HB2 MET A 1 -2.623 11.832 2.745 1.00 1.00 H new ATOM 0 HB3 MET A 1 -4.275 11.350 3.073 1.00 1.00 H new ATOM 0 HG2 MET A 1 -3.289 9.589 4.708 1.00 1.00 H new ATOM 0 HG3 MET A 1 -1.756 10.419 4.525 1.00 1.00 H new ATOM 0 HE1 MET A 1 -5.534 11.751 6.714 1.00 1.00 H new ATOM 0 HE2 MET A 1 -5.583 11.111 5.053 1.00 1.00 H new ATOM 0 HE3 MET A 1 -4.931 10.111 6.373 1.00 1.00 H new ATOM 20 N GLU A 2 -4.390 10.588 0.196 1.00 1.00 N ATOM 21 CA GLU A 2 -4.589 11.073 -1.165 1.00 1.00 C ATOM 22 C GLU A 2 -4.815 12.581 -1.168 1.00 1.00 C ATOM 23 O GLU A 2 -5.675 13.089 -1.888 1.00 1.00 O ATOM 24 CB GLU A 2 -5.795 10.374 -1.796 1.00 1.00 C ATOM 25 CG GLU A 2 -5.490 8.885 -1.968 1.00 1.00 C ATOM 26 CD GLU A 2 -5.310 8.556 -3.447 1.00 1.00 C ATOM 27 OE1 GLU A 2 -4.378 9.076 -4.039 1.00 1.00 O ATOM 28 OE2 GLU A 2 -6.106 7.790 -3.964 1.00 1.00 O ATOM 0 H GLU A 2 -5.247 10.475 0.737 1.00 1.00 H new ATOM 0 HA GLU A 2 -3.694 10.850 -1.746 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -6.675 10.505 -1.167 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -6.024 10.823 -2.762 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -4.587 8.624 -1.417 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -6.301 8.289 -1.551 1.00 1.00 H new ATOM 35 N GLU A 3 -4.035 13.293 -0.360 1.00 1.00 N ATOM 36 CA GLU A 3 -4.159 14.744 -0.278 1.00 1.00 C ATOM 37 C GLU A 3 -2.801 15.382 -0.006 1.00 1.00 C ATOM 38 O GLU A 3 -2.666 16.218 0.888 1.00 1.00 O ATOM 39 CB GLU A 3 -5.137 15.123 0.835 1.00 1.00 C ATOM 40 CG GLU A 3 -6.490 14.459 0.576 1.00 1.00 C ATOM 41 CD GLU A 3 -7.549 15.056 1.494 1.00 1.00 C ATOM 42 OE1 GLU A 3 -7.381 16.195 1.899 1.00 1.00 O ATOM 43 OE2 GLU A 3 -8.514 14.366 1.782 1.00 1.00 O ATOM 0 H GLU A 3 -3.316 12.893 0.243 1.00 1.00 H new ATOM 0 HA GLU A 3 -4.536 15.113 -1.232 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -4.744 14.807 1.801 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -5.254 16.206 0.877 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -6.779 14.599 -0.466 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -6.415 13.385 0.744 1.00 1.00 H new ATOM 50 N GLY A 4 -1.799 14.983 -0.782 1.00 1.00 N ATOM 51 CA GLY A 4 -0.454 15.524 -0.614 1.00 1.00 C ATOM 52 C GLY A 4 0.454 15.091 -1.760 1.00 1.00 C ATOM 53 O GLY A 4 0.881 15.913 -2.571 1.00 1.00 O ATOM 0 H GLY A 4 -1.890 14.293 -1.528 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -0.498 16.612 -0.571 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -0.037 15.184 0.334 1.00 1.00 H new ATOM 57 N GLY A 5 0.744 13.795 -1.821 1.00 1.00 N ATOM 58 CA GLY A 5 1.602 13.265 -2.874 1.00 1.00 C ATOM 59 C GLY A 5 2.555 12.209 -2.320 1.00 1.00 C ATOM 60 O GLY A 5 2.589 11.962 -1.114 1.00 1.00 O ATOM 0 H GLY A 5 0.401 13.098 -1.160 1.00 1.00 H new ATOM 0 HA2 GLY A 5 0.989 12.829 -3.663 1.00 1.00 H new ATOM 0 HA3 GLY A 5 2.174 14.076 -3.325 1.00 1.00 H new ATOM 64 N ASP A 6 3.326 11.591 -3.207 1.00 1.00 N ATOM 65 CA ASP A 6 4.274 10.563 -2.795 1.00 1.00 C ATOM 66 C ASP A 6 5.517 10.596 -3.679 1.00 1.00 C ATOM 67 O ASP A 6 5.503 11.174 -4.767 1.00 1.00 O ATOM 68 CB ASP A 6 3.620 9.183 -2.883 1.00 1.00 C ATOM 69 CG ASP A 6 2.589 9.023 -1.771 1.00 1.00 C ATOM 70 OD1 ASP A 6 2.800 9.587 -0.710 1.00 1.00 O ATOM 71 OD2 ASP A 6 1.605 8.339 -1.997 1.00 1.00 O ATOM 0 H ASP A 6 3.314 11.782 -4.209 1.00 1.00 H new ATOM 0 HA ASP A 6 4.569 10.760 -1.764 1.00 1.00 H new ATOM 0 HB2 ASP A 6 3.141 9.060 -3.854 1.00 1.00 H new ATOM 0 HB3 ASP A 6 4.380 8.406 -2.801 1.00 1.00 H new ATOM 76 N PHE A 7 6.591 9.973 -3.206 1.00 1.00 N ATOM 77 CA PHE A 7 7.837 9.938 -3.962 1.00 1.00 C ATOM 78 C PHE A 7 8.640 8.688 -3.614 1.00 1.00 C ATOM 79 O PHE A 7 8.359 8.013 -2.623 1.00 1.00 O ATOM 80 CB PHE A 7 8.671 11.183 -3.652 1.00 1.00 C ATOM 81 CG PHE A 7 8.370 12.257 -4.670 1.00 1.00 C ATOM 82 CD1 PHE A 7 9.059 12.280 -5.889 1.00 1.00 C ATOM 83 CD2 PHE A 7 7.399 13.228 -4.396 1.00 1.00 C ATOM 84 CE1 PHE A 7 8.779 13.275 -6.832 1.00 1.00 C ATOM 85 CE2 PHE A 7 7.119 14.224 -5.341 1.00 1.00 C ATOM 86 CZ PHE A 7 7.809 14.247 -6.559 1.00 1.00 C ATOM 0 H PHE A 7 6.624 9.489 -2.309 1.00 1.00 H new ATOM 0 HA PHE A 7 7.595 9.917 -5.025 1.00 1.00 H new ATOM 0 HB2 PHE A 7 8.445 11.544 -2.649 1.00 1.00 H new ATOM 0 HB3 PHE A 7 9.733 10.937 -3.671 1.00 1.00 H new ATOM 0 HD1 PHE A 7 9.806 11.530 -6.101 1.00 1.00 H new ATOM 0 HD2 PHE A 7 6.866 13.209 -3.457 1.00 1.00 H new ATOM 0 HE1 PHE A 7 9.312 13.293 -7.771 1.00 1.00 H new ATOM 0 HE2 PHE A 7 6.371 14.974 -5.130 1.00 1.00 H new ATOM 0 HZ PHE A 7 7.593 15.014 -7.288 1.00 1.00 H new ATOM 96 N ASP A 8 9.638 8.384 -4.437 1.00 1.00 N ATOM 97 CA ASP A 8 10.475 7.213 -4.207 1.00 1.00 C ATOM 98 C ASP A 8 11.851 7.403 -4.838 1.00 1.00 C ATOM 99 O ASP A 8 12.314 6.560 -5.605 1.00 1.00 O ATOM 100 CB ASP A 8 9.808 5.970 -4.800 1.00 1.00 C ATOM 101 CG ASP A 8 8.568 5.607 -3.990 1.00 1.00 C ATOM 102 OD1 ASP A 8 8.707 5.393 -2.796 1.00 1.00 O ATOM 103 OD2 ASP A 8 7.499 5.547 -4.573 1.00 1.00 O ATOM 0 H ASP A 8 9.886 8.928 -5.263 1.00 1.00 H new ATOM 0 HA ASP A 8 10.596 7.083 -3.132 1.00 1.00 H new ATOM 0 HB2 ASP A 8 9.533 6.155 -5.838 1.00 1.00 H new ATOM 0 HB3 ASP A 8 10.510 5.136 -4.800 1.00 1.00 H new ATOM 108 N ASN A 9 12.497 8.517 -4.511 1.00 1.00 N ATOM 109 CA ASN A 9 13.819 8.809 -5.052 1.00 1.00 C ATOM 110 C ASN A 9 14.720 9.403 -3.973 1.00 1.00 C ATOM 111 O ASN A 9 15.352 10.438 -4.181 1.00 1.00 O ATOM 112 CB ASN A 9 13.701 9.791 -6.218 1.00 1.00 C ATOM 113 CG ASN A 9 14.885 9.621 -7.164 1.00 1.00 C ATOM 114 OD1 ASN A 9 15.854 10.377 -7.089 1.00 1.00 O ATOM 115 ND2 ASN A 9 14.865 8.668 -8.055 1.00 1.00 N ATOM 0 H ASN A 9 12.130 9.228 -3.878 1.00 1.00 H new ATOM 0 HA ASN A 9 14.260 7.877 -5.406 1.00 1.00 H new ATOM 0 HB2 ASN A 9 12.768 9.620 -6.755 1.00 1.00 H new ATOM 0 HB3 ASN A 9 13.669 10.813 -5.842 1.00 1.00 H new ATOM 0 HD21 ASN A 9 15.653 8.548 -8.691 1.00 1.00 H new ATOM 0 HD22 ASN A 9 14.061 8.043 -8.115 1.00 1.00 H new ATOM 122 N TYR A 10 14.773 8.741 -2.822 1.00 1.00 N ATOM 123 CA TYR A 10 15.600 9.214 -1.718 1.00 1.00 C ATOM 124 C TYR A 10 17.028 9.471 -2.190 1.00 1.00 C ATOM 125 O TYR A 10 17.771 8.537 -2.488 1.00 1.00 O ATOM 126 CB TYR A 10 15.612 8.176 -0.593 1.00 1.00 C ATOM 127 CG TYR A 10 16.948 8.210 0.109 1.00 1.00 C ATOM 128 CD1 TYR A 10 17.231 9.227 1.028 1.00 1.00 C ATOM 129 CD2 TYR A 10 17.905 7.224 -0.160 1.00 1.00 C ATOM 130 CE1 TYR A 10 18.470 9.258 1.679 1.00 1.00 C ATOM 131 CE2 TYR A 10 19.144 7.254 0.491 1.00 1.00 C ATOM 132 CZ TYR A 10 19.427 8.272 1.410 1.00 1.00 C ATOM 133 OH TYR A 10 20.648 8.301 2.051 1.00 1.00 O ATOM 0 H TYR A 10 14.257 7.882 -2.630 1.00 1.00 H new ATOM 0 HA TYR A 10 15.178 10.148 -1.347 1.00 1.00 H new ATOM 0 HB2 TYR A 10 14.811 8.384 0.116 1.00 1.00 H new ATOM 0 HB3 TYR A 10 15.428 7.181 -0.999 1.00 1.00 H new ATOM 0 HD1 TYR A 10 16.493 9.988 1.235 1.00 1.00 H new ATOM 0 HD2 TYR A 10 17.687 6.440 -0.870 1.00 1.00 H new ATOM 0 HE1 TYR A 10 18.688 10.042 2.389 1.00 1.00 H new ATOM 0 HE2 TYR A 10 19.881 6.492 0.285 1.00 1.00 H new ATOM 0 HH TYR A 10 21.193 7.544 1.750 1.00 1.00 H new ATOM 143 N TYR A 11 17.403 10.744 -2.255 1.00 1.00 N ATOM 144 CA TYR A 11 18.744 11.113 -2.692 1.00 1.00 C ATOM 145 C TYR A 11 19.796 10.324 -1.917 1.00 1.00 C ATOM 146 O TYR A 11 19.465 9.464 -1.102 1.00 1.00 O ATOM 147 CB TYR A 11 18.970 12.612 -2.481 1.00 1.00 C ATOM 148 CG TYR A 11 18.956 13.316 -3.817 1.00 1.00 C ATOM 149 CD1 TYR A 11 17.739 13.589 -4.452 1.00 1.00 C ATOM 150 CD2 TYR A 11 20.161 13.694 -4.420 1.00 1.00 C ATOM 151 CE1 TYR A 11 17.727 14.242 -5.690 1.00 1.00 C ATOM 152 CE2 TYR A 11 20.149 14.347 -5.658 1.00 1.00 C ATOM 153 CZ TYR A 11 18.931 14.620 -6.293 1.00 1.00 C ATOM 154 OH TYR A 11 18.919 15.264 -7.514 1.00 1.00 O ATOM 0 H TYR A 11 16.802 11.532 -2.013 1.00 1.00 H new ATOM 0 HA TYR A 11 18.837 10.878 -3.752 1.00 1.00 H new ATOM 0 HB2 TYR A 11 18.193 13.020 -1.835 1.00 1.00 H new ATOM 0 HB3 TYR A 11 19.923 12.780 -1.979 1.00 1.00 H new ATOM 0 HD1 TYR A 11 16.809 13.296 -3.987 1.00 1.00 H new ATOM 0 HD2 TYR A 11 21.100 13.482 -3.930 1.00 1.00 H new ATOM 0 HE1 TYR A 11 16.788 14.454 -6.180 1.00 1.00 H new ATOM 0 HE2 TYR A 11 21.079 14.640 -6.123 1.00 1.00 H new ATOM 0 HH TYR A 11 19.839 15.457 -7.791 1.00 1.00 H new ATOM 164 N GLY A 12 21.064 10.625 -2.177 1.00 1.00 N ATOM 165 CA GLY A 12 22.157 9.938 -1.497 1.00 1.00 C ATOM 166 C GLY A 12 23.388 10.832 -1.404 1.00 1.00 C ATOM 167 O GLY A 12 24.152 10.956 -2.361 1.00 1.00 O ATOM 0 H GLY A 12 21.359 11.334 -2.848 1.00 1.00 H new ATOM 0 HA2 GLY A 12 21.840 9.644 -0.496 1.00 1.00 H new ATOM 0 HA3 GLY A 12 22.407 9.023 -2.034 1.00 1.00 H new ATOM 171 N ALA A 13 23.574 11.453 -0.243 1.00 1.00 N ATOM 172 CA ALA A 13 24.717 12.334 -0.035 1.00 1.00 C ATOM 173 C ALA A 13 26.024 11.569 -0.220 1.00 1.00 C ATOM 174 O ALA A 13 26.691 11.216 0.753 1.00 1.00 O ATOM 175 CB ALA A 13 24.667 12.930 1.373 1.00 1.00 C ATOM 0 H ALA A 13 22.953 11.363 0.562 1.00 1.00 H new ATOM 0 HA ALA A 13 24.672 13.137 -0.771 1.00 1.00 H new ATOM 0 HB1 ALA A 13 25.524 13.587 1.521 1.00 1.00 H new ATOM 0 HB2 ALA A 13 23.747 13.502 1.494 1.00 1.00 H new ATOM 0 HB3 ALA A 13 24.694 12.127 2.109 1.00 1.00 H new ATOM 181 N ASP A 14 26.384 11.317 -1.474 1.00 1.00 N ATOM 182 CA ASP A 14 27.614 10.593 -1.775 1.00 1.00 C ATOM 183 C ASP A 14 28.797 11.551 -1.846 1.00 1.00 C ATOM 184 O ASP A 14 29.586 11.511 -2.790 1.00 1.00 O ATOM 185 CB ASP A 14 27.473 9.853 -3.106 1.00 1.00 C ATOM 186 CG ASP A 14 27.208 10.849 -4.230 1.00 1.00 C ATOM 187 OD1 ASP A 14 27.333 12.037 -3.984 1.00 1.00 O ATOM 188 OD2 ASP A 14 26.885 10.409 -5.321 1.00 1.00 O ATOM 0 H ASP A 14 25.846 11.601 -2.293 1.00 1.00 H new ATOM 0 HA ASP A 14 27.793 9.873 -0.977 1.00 1.00 H new ATOM 0 HB2 ASP A 14 28.381 9.288 -3.316 1.00 1.00 H new ATOM 0 HB3 ASP A 14 26.657 9.133 -3.047 1.00 1.00 H new ATOM 193 N ASN A 15 28.914 12.415 -0.843 1.00 1.00 N ATOM 194 CA ASN A 15 30.005 13.381 -0.803 1.00 1.00 C ATOM 195 C ASN A 15 30.378 13.710 0.640 1.00 1.00 C ATOM 196 O ASN A 15 30.427 14.877 1.028 1.00 1.00 O ATOM 197 CB ASN A 15 29.596 14.663 -1.531 1.00 1.00 C ATOM 198 CG ASN A 15 30.834 15.484 -1.878 1.00 1.00 C ATOM 199 OD1 ASN A 15 31.909 14.925 -2.093 1.00 1.00 O ATOM 200 ND2 ASN A 15 30.746 16.784 -1.945 1.00 1.00 N ATOM 0 H ASN A 15 28.272 12.466 -0.052 1.00 1.00 H new ATOM 0 HA ASN A 15 30.871 12.942 -1.299 1.00 1.00 H new ATOM 0 HB2 ASN A 15 29.047 14.416 -2.440 1.00 1.00 H new ATOM 0 HB3 ASN A 15 28.925 15.249 -0.903 1.00 1.00 H new ATOM 0 HD21 ASN A 15 31.570 17.340 -2.176 1.00 1.00 H new ATOM 0 HD22 ASN A 15 29.854 17.245 -1.766 1.00 1.00 H new ATOM 207 N GLN A 16 30.640 12.673 1.428 1.00 1.00 N ATOM 208 CA GLN A 16 31.008 12.864 2.827 1.00 1.00 C ATOM 209 C GLN A 16 32.422 13.425 2.937 1.00 1.00 C ATOM 210 O GLN A 16 32.973 13.534 4.033 1.00 1.00 O ATOM 211 CB GLN A 16 30.925 11.533 3.575 1.00 1.00 C ATOM 212 CG GLN A 16 31.438 10.407 2.674 1.00 1.00 C ATOM 213 CD GLN A 16 30.280 9.800 1.890 1.00 1.00 C ATOM 214 OE1 GLN A 16 30.337 8.634 1.500 1.00 1.00 O ATOM 215 NE2 GLN A 16 29.225 10.525 1.635 1.00 1.00 N ATOM 0 H GLN A 16 30.605 11.699 1.126 1.00 1.00 H new ATOM 0 HA GLN A 16 30.312 13.575 3.273 1.00 1.00 H new ATOM 0 HB2 GLN A 16 31.517 11.580 4.489 1.00 1.00 H new ATOM 0 HB3 GLN A 16 29.895 11.335 3.872 1.00 1.00 H new ATOM 0 HG2 GLN A 16 32.190 10.794 1.987 1.00 1.00 H new ATOM 0 HG3 GLN A 16 31.922 9.639 3.277 1.00 1.00 H new ATOM 0 HE21 GLN A 16 29.180 11.491 1.959 1.00 1.00 H new ATOM 0 HE22 GLN A 16 28.446 10.125 1.112 1.00 1.00 H new ATOM 224 N SER A 17 33.003 13.781 1.795 1.00 1.00 N ATOM 225 CA SER A 17 34.353 14.332 1.773 1.00 1.00 C ATOM 226 C SER A 17 35.257 13.578 2.744 1.00 1.00 C ATOM 227 O SER A 17 35.312 13.897 3.932 1.00 1.00 O ATOM 228 CB SER A 17 34.317 15.812 2.151 1.00 1.00 C ATOM 229 OG SER A 17 35.383 16.095 3.047 1.00 1.00 O ATOM 0 H SER A 17 32.563 13.698 0.878 1.00 1.00 H new ATOM 0 HA SER A 17 34.753 14.224 0.765 1.00 1.00 H new ATOM 0 HB2 SER A 17 34.405 16.429 1.257 1.00 1.00 H new ATOM 0 HB3 SER A 17 33.362 16.057 2.615 1.00 1.00 H new ATOM 0 HG SER A 17 35.216 15.652 3.905 1.00 1.00 H new ATOM 235 N GLU A 18 35.964 12.576 2.229 1.00 1.00 N ATOM 236 CA GLU A 18 36.864 11.783 3.060 1.00 1.00 C ATOM 237 C GLU A 18 38.176 11.520 2.329 1.00 1.00 C ATOM 238 O GLU A 18 38.217 11.492 1.098 1.00 1.00 O ATOM 239 CB GLU A 18 36.203 10.452 3.424 1.00 1.00 C ATOM 240 CG GLU A 18 35.787 10.474 4.896 1.00 1.00 C ATOM 241 CD GLU A 18 35.023 9.201 5.241 1.00 1.00 C ATOM 242 OE1 GLU A 18 33.990 8.971 4.634 1.00 1.00 O ATOM 243 OE2 GLU A 18 35.480 8.476 6.109 1.00 1.00 O ATOM 0 H GLU A 18 35.932 12.296 1.249 1.00 1.00 H new ATOM 0 HA GLU A 18 37.075 12.343 3.971 1.00 1.00 H new ATOM 0 HB2 GLU A 18 35.332 10.282 2.791 1.00 1.00 H new ATOM 0 HB3 GLU A 18 36.894 9.629 3.243 1.00 1.00 H new ATOM 0 HG2 GLU A 18 36.669 10.562 5.530 1.00 1.00 H new ATOM 0 HG3 GLU A 18 35.164 11.347 5.093 1.00 1.00 H new ATOM 250 N CYS A 19 39.245 11.327 3.093 1.00 1.00 N ATOM 251 CA CYS A 19 40.556 11.066 2.506 1.00 1.00 C ATOM 252 C CYS A 19 40.508 9.828 1.616 1.00 1.00 C ATOM 253 O CYS A 19 40.042 9.888 0.479 1.00 1.00 O ATOM 254 CB CYS A 19 41.591 10.863 3.612 1.00 1.00 C ATOM 255 SG CYS A 19 42.052 12.469 4.311 1.00 1.00 S ATOM 0 H CYS A 19 39.232 11.346 4.113 1.00 1.00 H new ATOM 0 HA CYS A 19 40.839 11.925 1.898 1.00 1.00 H new ATOM 0 HB2 CYS A 19 41.184 10.219 4.391 1.00 1.00 H new ATOM 0 HB3 CYS A 19 42.473 10.362 3.212 1.00 1.00 H new ATOM 0 HG CYS A 19 42.931 12.296 5.253 1.00 1.00 H new ATOM 261 N GLU A 20 40.995 8.709 2.142 1.00 1.00 N ATOM 262 CA GLU A 20 41.004 7.463 1.384 1.00 1.00 C ATOM 263 C GLU A 20 39.835 6.575 1.798 1.00 1.00 C ATOM 264 O GLU A 20 39.677 5.466 1.286 1.00 1.00 O ATOM 265 CB GLU A 20 42.320 6.719 1.621 1.00 1.00 C ATOM 266 CG GLU A 20 42.606 5.793 0.437 1.00 1.00 C ATOM 267 CD GLU A 20 43.448 4.607 0.895 1.00 1.00 C ATOM 268 OE1 GLU A 20 44.487 4.837 1.490 1.00 1.00 O ATOM 269 OE2 GLU A 20 43.039 3.484 0.644 1.00 1.00 O ATOM 0 H GLU A 20 41.385 8.639 3.082 1.00 1.00 H new ATOM 0 HA GLU A 20 40.906 7.703 0.325 1.00 1.00 H new ATOM 0 HB2 GLU A 20 43.136 7.432 1.744 1.00 1.00 H new ATOM 0 HB3 GLU A 20 42.261 6.140 2.543 1.00 1.00 H new ATOM 0 HG2 GLU A 20 41.669 5.440 0.006 1.00 1.00 H new ATOM 0 HG3 GLU A 20 43.130 6.341 -0.346 1.00 1.00 H new ATOM 276 N TYR A 21 39.017 7.074 2.720 1.00 1.00 N ATOM 277 CA TYR A 21 37.859 6.329 3.198 1.00 1.00 C ATOM 278 C TYR A 21 38.181 4.843 3.330 1.00 1.00 C ATOM 279 O TYR A 21 37.289 3.997 3.278 1.00 1.00 O ATOM 280 CB TYR A 21 36.692 6.524 2.232 1.00 1.00 C ATOM 281 CG TYR A 21 37.117 6.136 0.835 1.00 1.00 C ATOM 282 CD1 TYR A 21 36.959 4.817 0.394 1.00 1.00 C ATOM 283 CD2 TYR A 21 37.669 7.099 -0.019 1.00 1.00 C ATOM 284 CE1 TYR A 21 37.353 4.460 -0.901 1.00 1.00 C ATOM 285 CE2 TYR A 21 38.063 6.742 -1.314 1.00 1.00 C ATOM 286 CZ TYR A 21 37.904 5.423 -1.755 1.00 1.00 C ATOM 287 OH TYR A 21 38.291 5.071 -3.032 1.00 1.00 O ATOM 0 H TYR A 21 39.135 7.991 3.150 1.00 1.00 H new ATOM 0 HA TYR A 21 37.587 6.707 4.184 1.00 1.00 H new ATOM 0 HB2 TYR A 21 35.842 5.917 2.546 1.00 1.00 H new ATOM 0 HB3 TYR A 21 36.364 7.564 2.247 1.00 1.00 H new ATOM 0 HD1 TYR A 21 36.533 4.075 1.053 1.00 1.00 H new ATOM 0 HD2 TYR A 21 37.791 8.117 0.321 1.00 1.00 H new ATOM 0 HE1 TYR A 21 37.232 3.442 -1.241 1.00 1.00 H new ATOM 0 HE2 TYR A 21 38.490 7.484 -1.973 1.00 1.00 H new ATOM 0 HH TYR A 21 38.652 5.857 -3.493 1.00 1.00 H new ATOM 297 N THR A 22 39.462 4.536 3.507 1.00 1.00 N ATOM 298 CA THR A 22 39.893 3.150 3.649 1.00 1.00 C ATOM 299 C THR A 22 40.135 2.812 5.117 1.00 1.00 C ATOM 300 O THR A 22 39.660 1.793 5.615 1.00 1.00 O ATOM 301 CB THR A 22 41.178 2.918 2.851 1.00 1.00 C ATOM 302 OG1 THR A 22 40.863 2.816 1.469 1.00 1.00 O ATOM 303 CG2 THR A 22 41.845 1.625 3.320 1.00 1.00 C ATOM 0 H THR A 22 40.215 5.223 3.555 1.00 1.00 H new ATOM 0 HA THR A 22 39.105 2.503 3.264 1.00 1.00 H new ATOM 0 HB THR A 22 41.860 3.754 3.008 1.00 1.00 H new ATOM 0 HG1 THR A 22 41.691 2.756 0.948 1.00 1.00 H new ATOM 0 HG21 THR A 22 42.760 1.461 2.751 1.00 1.00 H new ATOM 0 HG22 THR A 22 42.086 1.704 4.380 1.00 1.00 H new ATOM 0 HG23 THR A 22 41.165 0.787 3.164 1.00 1.00 H new ATOM 311 N ASP A 23 40.876 3.676 5.803 1.00 1.00 N ATOM 312 CA ASP A 23 41.174 3.460 7.214 1.00 1.00 C ATOM 313 C ASP A 23 40.279 4.329 8.090 1.00 1.00 C ATOM 314 O ASP A 23 40.663 4.720 9.192 1.00 1.00 O ATOM 315 CB ASP A 23 42.642 3.791 7.494 1.00 1.00 C ATOM 316 CG ASP A 23 43.239 2.751 8.437 1.00 1.00 C ATOM 317 OD1 ASP A 23 42.819 2.708 9.581 1.00 1.00 O ATOM 318 OD2 ASP A 23 44.108 2.014 7.999 1.00 1.00 O ATOM 0 H ASP A 23 41.279 4.526 5.408 1.00 1.00 H new ATOM 0 HA ASP A 23 40.986 2.412 7.449 1.00 1.00 H new ATOM 0 HB2 ASP A 23 43.203 3.812 6.560 1.00 1.00 H new ATOM 0 HB3 ASP A 23 42.722 4.784 7.936 1.00 1.00 H new ATOM 323 N TRP A 24 39.082 4.626 7.593 1.00 1.00 N ATOM 324 CA TRP A 24 38.139 5.451 8.341 1.00 1.00 C ATOM 325 C TRP A 24 37.961 4.913 9.760 1.00 1.00 C ATOM 326 O TRP A 24 38.815 5.122 10.621 1.00 1.00 O ATOM 327 CB TRP A 24 36.787 5.487 7.618 1.00 1.00 C ATOM 328 CG TRP A 24 36.526 4.172 6.950 1.00 1.00 C ATOM 329 CD1 TRP A 24 37.003 2.976 7.365 1.00 1.00 C ATOM 330 CD2 TRP A 24 35.734 3.906 5.757 1.00 1.00 C ATOM 331 NE1 TRP A 24 36.553 1.992 6.503 1.00 1.00 N ATOM 332 CE2 TRP A 24 35.768 2.515 5.494 1.00 1.00 C ATOM 333 CE3 TRP A 24 34.997 4.727 4.885 1.00 1.00 C ATOM 334 CZ2 TRP A 24 35.094 1.960 4.407 1.00 1.00 C ATOM 335 CZ3 TRP A 24 34.318 4.170 3.788 1.00 1.00 C ATOM 336 CH2 TRP A 24 34.367 2.790 3.550 1.00 1.00 C ATOM 0 H TRP A 24 38.744 4.311 6.684 1.00 1.00 H new ATOM 0 HA TRP A 24 38.538 6.464 8.404 1.00 1.00 H new ATOM 0 HB2 TRP A 24 35.991 5.707 8.329 1.00 1.00 H new ATOM 0 HB3 TRP A 24 36.783 6.287 6.878 1.00 1.00 H new ATOM 0 HD1 TRP A 24 37.632 2.816 8.228 1.00 1.00 H new ATOM 0 HE1 TRP A 24 36.774 1.001 6.601 1.00 1.00 H new ATOM 0 HE3 TRP A 24 34.953 5.792 5.059 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 35.134 0.896 4.229 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 33.755 4.809 3.124 1.00 1.00 H new ATOM 0 HH2 TRP A 24 33.843 2.368 2.705 1.00 1.00 H new ATOM 347 N LYS A 25 36.850 4.221 9.999 1.00 1.00 N ATOM 348 CA LYS A 25 36.579 3.664 11.319 1.00 1.00 C ATOM 349 C LYS A 25 37.030 2.208 11.391 1.00 1.00 C ATOM 350 O LYS A 25 36.242 1.291 11.162 1.00 1.00 O ATOM 351 CB LYS A 25 35.084 3.755 11.626 1.00 1.00 C ATOM 352 CG LYS A 25 34.284 3.141 10.476 1.00 1.00 C ATOM 353 CD LYS A 25 33.343 2.069 11.026 1.00 1.00 C ATOM 354 CE LYS A 25 32.580 1.418 9.871 1.00 1.00 C ATOM 355 NZ LYS A 25 31.124 1.712 10.011 1.00 1.00 N ATOM 0 H LYS A 25 36.129 4.034 9.302 1.00 1.00 H new ATOM 0 HA LYS A 25 37.137 4.240 12.057 1.00 1.00 H new ATOM 0 HB2 LYS A 25 34.861 3.233 12.556 1.00 1.00 H new ATOM 0 HB3 LYS A 25 34.795 4.796 11.768 1.00 1.00 H new ATOM 0 HG2 LYS A 25 33.712 3.914 9.963 1.00 1.00 H new ATOM 0 HG3 LYS A 25 34.960 2.704 9.741 1.00 1.00 H new ATOM 0 HD2 LYS A 25 33.912 1.315 11.571 1.00 1.00 H new ATOM 0 HD3 LYS A 25 32.643 2.513 11.734 1.00 1.00 H new ATOM 0 HE2 LYS A 25 32.949 1.797 8.918 1.00 1.00 H new ATOM 0 HE3 LYS A 25 32.747 0.341 9.872 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 30.604 1.270 9.226 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 30.778 1.330 10.914 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 30.974 2.741 9.990 1.00 1.00 H new ATOM 369 N SER A 26 38.304 2.005 11.710 1.00 1.00 N ATOM 370 CA SER A 26 38.850 0.657 11.810 1.00 1.00 C ATOM 371 C SER A 26 40.053 0.636 12.748 1.00 1.00 C ATOM 372 O SER A 26 39.939 0.250 13.911 1.00 1.00 O ATOM 373 CB SER A 26 39.269 0.159 10.427 1.00 1.00 C ATOM 374 OG SER A 26 38.113 -0.231 9.698 1.00 1.00 O ATOM 0 H SER A 26 38.973 2.751 11.902 1.00 1.00 H new ATOM 0 HA SER A 26 38.078 0.001 12.212 1.00 1.00 H new ATOM 0 HB2 SER A 26 39.803 0.944 9.892 1.00 1.00 H new ATOM 0 HB3 SER A 26 39.954 -0.684 10.523 1.00 1.00 H new ATOM 0 HG SER A 26 37.314 0.135 10.132 1.00 1.00 H new ATOM 380 N SER A 27 41.205 1.055 12.233 1.00 1.00 N ATOM 381 CA SER A 27 42.423 1.081 13.033 1.00 1.00 C ATOM 382 C SER A 27 42.655 -0.271 13.700 1.00 1.00 C ATOM 383 O SER A 27 43.082 -0.341 14.852 1.00 1.00 O ATOM 384 CB SER A 27 42.322 2.169 14.101 1.00 1.00 C ATOM 385 OG SER A 27 43.602 2.755 14.297 1.00 1.00 O ATOM 0 H SER A 27 41.320 1.379 11.273 1.00 1.00 H new ATOM 0 HA SER A 27 43.264 1.297 12.374 1.00 1.00 H new ATOM 0 HB2 SER A 27 41.604 2.930 13.795 1.00 1.00 H new ATOM 0 HB3 SER A 27 41.957 1.744 15.036 1.00 1.00 H new ATOM 0 HG SER A 27 43.540 3.455 14.981 1.00 1.00 H new ATOM 391 N GLY A 28 42.369 -1.343 12.968 1.00 1.00 N ATOM 392 CA GLY A 28 42.548 -2.688 13.500 1.00 1.00 C ATOM 393 C GLY A 28 41.439 -3.035 14.486 1.00 1.00 C ATOM 394 O GLY A 28 41.357 -4.163 14.973 1.00 1.00 O ATOM 0 H GLY A 28 42.015 -1.307 12.012 1.00 1.00 H new ATOM 0 HA2 GLY A 28 42.552 -3.409 12.683 1.00 1.00 H new ATOM 0 HA3 GLY A 28 43.516 -2.762 13.995 1.00 1.00 H new ATOM 398 N ALA A 29 40.588 -2.057 14.779 1.00 1.00 N ATOM 399 CA ALA A 29 39.485 -2.269 15.709 1.00 1.00 C ATOM 400 C ALA A 29 40.014 -2.583 17.105 1.00 1.00 C ATOM 401 O ALA A 29 39.350 -3.260 17.890 1.00 1.00 O ATOM 402 CB ALA A 29 38.606 -3.422 15.223 1.00 1.00 C ATOM 0 H ALA A 29 40.640 -1.116 14.389 1.00 1.00 H new ATOM 0 HA ALA A 29 38.892 -1.355 15.754 1.00 1.00 H new ATOM 0 HB1 ALA A 29 37.785 -3.574 15.923 1.00 1.00 H new ATOM 0 HB2 ALA A 29 38.204 -3.183 14.238 1.00 1.00 H new ATOM 0 HB3 ALA A 29 39.202 -4.332 15.160 1.00 1.00 H new ATOM 408 N LEU A 30 41.212 -2.087 17.403 1.00 1.00 N ATOM 409 CA LEU A 30 41.829 -2.317 18.707 1.00 1.00 C ATOM 410 C LEU A 30 42.010 -0.999 19.454 1.00 1.00 C ATOM 411 O LEU A 30 41.961 -0.960 20.684 1.00 1.00 O ATOM 412 CB LEU A 30 43.190 -2.992 18.526 1.00 1.00 C ATOM 413 CG LEU A 30 43.000 -4.355 17.860 1.00 1.00 C ATOM 414 CD1 LEU A 30 44.123 -4.590 16.849 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.038 -5.451 18.927 1.00 1.00 C ATOM 0 H LEU A 30 41.773 -1.526 16.763 1.00 1.00 H new ATOM 0 HA LEU A 30 41.174 -2.965 19.290 1.00 1.00 H new ATOM 0 HB2 LEU A 30 43.840 -2.365 17.916 1.00 1.00 H new ATOM 0 HB3 LEU A 30 43.679 -3.113 19.493 1.00 1.00 H new ATOM 0 HG LEU A 30 42.039 -4.378 17.347 1.00 1.00 H new ATOM 0 HD11 LEU A 30 43.988 -5.562 16.374 1.00 1.00 H new ATOM 0 HD12 LEU A 30 44.098 -3.808 16.090 1.00 1.00 H new ATOM 0 HD13 LEU A 30 45.085 -4.568 17.362 1.00 1.00 H new ATOM 0 HD21 LEU A 30 42.903 -6.424 18.454 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.000 -5.427 19.439 1.00 1.00 H new ATOM 0 HD23 LEU A 30 42.238 -5.284 19.649 1.00 1.00 H new ATOM 427 N ILE A 31 42.221 0.077 18.704 1.00 1.00 N ATOM 428 CA ILE A 31 42.410 1.391 19.308 1.00 1.00 C ATOM 429 C ILE A 31 41.068 1.989 19.743 1.00 1.00 C ATOM 430 O ILE A 31 40.976 2.601 20.807 1.00 1.00 O ATOM 431 CB ILE A 31 43.139 2.320 18.315 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.594 2.513 18.773 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.444 3.690 18.205 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.655 3.388 20.033 1.00 1.00 C ATOM 0 H ILE A 31 42.265 0.066 17.685 1.00 1.00 H new ATOM 0 HA ILE A 31 43.025 1.285 20.201 1.00 1.00 H new ATOM 0 HB ILE A 31 43.113 1.853 17.331 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.048 1.543 18.975 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.173 2.976 17.974 1.00 1.00 H new ATOM 0 HG21 ILE A 31 42.986 4.317 17.497 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.420 3.552 17.858 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.434 4.172 19.182 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.694 3.512 20.340 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.221 4.365 19.819 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.094 2.910 20.836 1.00 1.00 H new ATOM 446 N PRO A 32 40.032 1.831 18.953 1.00 1.00 N ATOM 447 CA PRO A 32 38.683 2.378 19.286 1.00 1.00 C ATOM 448 C PRO A 32 38.143 1.810 20.596 1.00 1.00 C ATOM 449 O PRO A 32 37.753 2.558 21.493 1.00 1.00 O ATOM 450 CB PRO A 32 37.798 1.956 18.106 1.00 1.00 C ATOM 451 CG PRO A 32 38.738 1.602 17.002 1.00 1.00 C ATOM 452 CD PRO A 32 40.025 1.123 17.664 1.00 1.00 C ATOM 0 HA PRO A 32 38.712 3.458 19.429 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.169 1.106 18.372 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.131 2.765 17.808 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.315 0.823 16.368 1.00 1.00 H new ATOM 0 HG3 PRO A 32 38.928 2.465 16.363 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.028 0.042 17.800 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.901 1.371 17.065 1.00 1.00 H new ATOM 460 N ALA A 33 38.120 0.485 20.697 1.00 1.00 N ATOM 461 CA ALA A 33 37.623 -0.171 21.900 1.00 1.00 C ATOM 462 C ALA A 33 38.239 0.454 23.147 1.00 1.00 C ATOM 463 O ALA A 33 37.619 0.478 24.211 1.00 1.00 O ATOM 464 CB ALA A 33 37.956 -1.663 21.856 1.00 1.00 C ATOM 0 H ALA A 33 38.437 -0.151 19.966 1.00 1.00 H new ATOM 0 HA ALA A 33 36.542 -0.041 21.941 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.581 -2.146 22.758 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.488 -2.115 20.981 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.037 -1.793 21.797 1.00 1.00 H new ATOM 470 N ILE A 34 39.459 0.962 23.011 1.00 1.00 N ATOM 471 CA ILE A 34 40.142 1.588 24.136 1.00 1.00 C ATOM 472 C ILE A 34 39.641 3.013 24.325 1.00 1.00 C ATOM 473 O ILE A 34 39.640 3.542 25.437 1.00 1.00 O ATOM 474 CB ILE A 34 41.651 1.600 23.892 1.00 1.00 C ATOM 475 CG1 ILE A 34 42.239 0.240 24.274 1.00 1.00 C ATOM 476 CG2 ILE A 34 42.300 2.691 24.746 1.00 1.00 C ATOM 477 CD1 ILE A 34 43.537 0.008 23.498 1.00 1.00 C ATOM 0 H ILE A 34 39.991 0.953 22.141 1.00 1.00 H new ATOM 0 HA ILE A 34 39.930 1.013 25.038 1.00 1.00 H new ATOM 0 HB ILE A 34 41.846 1.800 22.838 1.00 1.00 H new ATOM 0 HG12 ILE A 34 42.433 0.204 25.346 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.524 -0.552 24.052 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.376 2.698 24.571 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.882 3.661 24.477 1.00 1.00 H new ATOM 0 HG23 ILE A 34 42.105 2.492 25.800 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.956 -0.961 23.770 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.329 0.026 22.428 1.00 1.00 H new ATOM 0 HD13 ILE A 34 44.252 0.794 23.742 1.00 1.00 H new ATOM 489 N TYR A 35 39.212 3.629 23.229 1.00 1.00 N ATOM 490 CA TYR A 35 38.703 4.993 23.280 1.00 1.00 C ATOM 491 C TYR A 35 37.314 5.014 23.904 1.00 1.00 C ATOM 492 O TYR A 35 37.095 5.649 24.936 1.00 1.00 O ATOM 493 CB TYR A 35 38.644 5.580 21.869 1.00 1.00 C ATOM 494 CG TYR A 35 39.422 6.876 21.830 1.00 1.00 C ATOM 495 CD1 TYR A 35 39.090 7.914 22.707 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.472 7.036 20.918 1.00 1.00 C ATOM 497 CE1 TYR A 35 39.809 9.116 22.672 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.190 8.238 20.883 1.00 1.00 C ATOM 499 CZ TYR A 35 40.859 9.278 21.761 1.00 1.00 C ATOM 500 OH TYR A 35 41.567 10.461 21.727 1.00 1.00 O ATOM 0 H TYR A 35 39.207 3.208 22.300 1.00 1.00 H new ATOM 0 HA TYR A 35 39.375 5.595 23.892 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.059 4.872 21.151 1.00 1.00 H new ATOM 0 HB3 TYR A 35 37.608 5.756 21.580 1.00 1.00 H new ATOM 0 HD1 TYR A 35 38.280 7.789 23.410 1.00 1.00 H new ATOM 0 HD2 TYR A 35 40.728 6.233 20.242 1.00 1.00 H new ATOM 0 HE1 TYR A 35 39.553 9.918 23.348 1.00 1.00 H new ATOM 0 HE2 TYR A 35 41.999 8.363 20.179 1.00 1.00 H new ATOM 0 HH TYR A 35 42.262 10.407 21.038 1.00 1.00 H new ATOM 510 N MET A 36 36.378 4.310 23.276 1.00 1.00 N ATOM 511 CA MET A 36 35.016 4.252 23.788 1.00 1.00 C ATOM 512 C MET A 36 35.030 3.948 25.282 1.00 1.00 C ATOM 513 O MET A 36 34.107 4.312 26.010 1.00 1.00 O ATOM 514 CB MET A 36 34.220 3.173 23.047 1.00 1.00 C ATOM 515 CG MET A 36 35.110 1.960 22.778 1.00 1.00 C ATOM 516 SD MET A 36 34.142 0.445 23.005 1.00 1.00 S ATOM 517 CE MET A 36 33.896 0.583 24.794 1.00 1.00 C ATOM 0 H MET A 36 36.536 3.777 22.421 1.00 1.00 H new ATOM 0 HA MET A 36 34.540 5.219 23.626 1.00 1.00 H new ATOM 0 HB2 MET A 36 33.355 2.876 23.640 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.840 3.571 22.106 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.507 2.003 21.764 1.00 1.00 H new ATOM 0 HG3 MET A 36 35.964 1.964 23.455 1.00 1.00 H new ATOM 0 HE1 MET A 36 33.852 -0.414 25.233 1.00 1.00 H new ATOM 0 HE2 MET A 36 34.725 1.137 25.234 1.00 1.00 H new ATOM 0 HE3 MET A 36 32.962 1.109 24.993 1.00 1.00 H new ATOM 527 N LEU A 37 36.088 3.279 25.731 1.00 1.00 N ATOM 528 CA LEU A 37 36.221 2.928 27.140 1.00 1.00 C ATOM 529 C LEU A 37 36.249 4.188 28.000 1.00 1.00 C ATOM 530 O LEU A 37 35.442 4.343 28.917 1.00 1.00 O ATOM 531 CB LEU A 37 37.513 2.130 27.358 1.00 1.00 C ATOM 532 CG LEU A 37 37.225 0.854 28.162 1.00 1.00 C ATOM 533 CD1 LEU A 37 36.529 1.215 29.476 1.00 1.00 C ATOM 534 CD2 LEU A 37 36.327 -0.082 27.349 1.00 1.00 C ATOM 0 H LEU A 37 36.862 2.971 25.142 1.00 1.00 H new ATOM 0 HA LEU A 37 35.364 2.320 27.430 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.954 1.869 26.396 1.00 1.00 H new ATOM 0 HB3 LEU A 37 38.242 2.744 27.887 1.00 1.00 H new ATOM 0 HG LEU A 37 38.168 0.351 28.378 1.00 1.00 H new ATOM 0 HD11 LEU A 37 36.327 0.306 30.042 1.00 1.00 H new ATOM 0 HD12 LEU A 37 37.174 1.871 30.061 1.00 1.00 H new ATOM 0 HD13 LEU A 37 35.590 1.725 29.262 1.00 1.00 H new ATOM 0 HD21 LEU A 37 36.127 -0.985 27.925 1.00 1.00 H new ATOM 0 HD22 LEU A 37 35.387 0.421 27.124 1.00 1.00 H new ATOM 0 HD23 LEU A 37 36.828 -0.349 26.418 1.00 1.00 H new ATOM 546 N VAL A 38 37.185 5.082 27.698 1.00 1.00 N ATOM 547 CA VAL A 38 37.311 6.325 28.451 1.00 1.00 C ATOM 548 C VAL A 38 36.175 7.282 28.103 1.00 1.00 C ATOM 549 O VAL A 38 36.071 8.369 28.672 1.00 1.00 O ATOM 550 CB VAL A 38 38.653 6.990 28.137 1.00 1.00 C ATOM 551 CG1 VAL A 38 39.062 7.890 29.304 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.719 5.910 27.931 1.00 1.00 C ATOM 0 H VAL A 38 37.862 4.971 26.944 1.00 1.00 H new ATOM 0 HA VAL A 38 37.260 6.090 29.514 1.00 1.00 H new ATOM 0 HB VAL A 38 38.559 7.589 27.231 1.00 1.00 H new ATOM 0 HG11 VAL A 38 40.018 8.364 29.080 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.303 8.658 29.455 1.00 1.00 H new ATOM 0 HG13 VAL A 38 39.157 7.291 30.210 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.676 6.381 27.707 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.812 5.313 28.838 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.429 5.266 27.101 1.00 1.00 H new ATOM 562 N PHE A 39 35.326 6.871 27.167 1.00 1.00 N ATOM 563 CA PHE A 39 34.201 7.702 26.753 1.00 1.00 C ATOM 564 C PHE A 39 33.011 7.496 27.683 1.00 1.00 C ATOM 565 O PHE A 39 32.697 8.354 28.507 1.00 1.00 O ATOM 566 CB PHE A 39 33.797 7.357 25.318 1.00 1.00 C ATOM 567 CG PHE A 39 32.881 8.430 24.782 1.00 1.00 C ATOM 568 CD1 PHE A 39 33.409 9.664 24.379 1.00 1.00 C ATOM 569 CD2 PHE A 39 31.504 8.193 24.687 1.00 1.00 C ATOM 570 CE1 PHE A 39 32.559 10.659 23.880 1.00 1.00 C ATOM 571 CE2 PHE A 39 30.655 9.188 24.189 1.00 1.00 C ATOM 572 CZ PHE A 39 31.183 10.421 23.785 1.00 1.00 C ATOM 0 H PHE A 39 35.394 5.975 26.684 1.00 1.00 H new ATOM 0 HA PHE A 39 34.508 8.747 26.802 1.00 1.00 H new ATOM 0 HB2 PHE A 39 34.683 7.273 24.689 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.296 6.390 25.293 1.00 1.00 H new ATOM 0 HD1 PHE A 39 34.471 9.848 24.453 1.00 1.00 H new ATOM 0 HD2 PHE A 39 31.097 7.242 24.998 1.00 1.00 H new ATOM 0 HE1 PHE A 39 32.965 11.610 23.569 1.00 1.00 H new ATOM 0 HE2 PHE A 39 29.593 9.005 24.116 1.00 1.00 H new ATOM 0 HZ PHE A 39 30.528 11.188 23.400 1.00 1.00 H new ATOM 582 N LEU A 40 32.351 6.349 27.546 1.00 1.00 N ATOM 583 CA LEU A 40 31.195 6.039 28.380 1.00 1.00 C ATOM 584 C LEU A 40 31.550 6.166 29.857 1.00 1.00 C ATOM 585 O LEU A 40 30.680 6.087 30.724 1.00 1.00 O ATOM 586 CB LEU A 40 30.708 4.619 28.089 1.00 1.00 C ATOM 587 CG LEU A 40 31.830 3.623 28.382 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.550 2.912 29.708 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.901 2.588 27.257 1.00 1.00 C ATOM 0 H LEU A 40 32.595 5.624 26.871 1.00 1.00 H new ATOM 0 HA LEU A 40 30.402 6.749 28.148 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.836 4.390 28.701 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.397 4.536 27.048 1.00 1.00 H new ATOM 0 HG LEU A 40 32.778 4.156 28.448 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.350 2.202 29.916 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.499 3.647 30.511 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.601 2.380 29.642 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.701 1.878 27.466 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.952 2.056 27.191 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.101 3.092 26.311 1.00 1.00 H new ATOM 601 N LEU A 41 32.834 6.364 30.137 1.00 1.00 N ATOM 602 CA LEU A 41 33.292 6.500 31.515 1.00 1.00 C ATOM 603 C LEU A 41 32.747 7.782 32.137 1.00 1.00 C ATOM 604 O LEU A 41 32.404 7.812 33.319 1.00 1.00 O ATOM 605 CB LEU A 41 34.822 6.521 31.556 1.00 1.00 C ATOM 606 CG LEU A 41 35.331 5.285 32.302 1.00 1.00 C ATOM 607 CD1 LEU A 41 36.856 5.223 32.207 1.00 1.00 C ATOM 608 CD2 LEU A 41 34.915 5.370 33.772 1.00 1.00 C ATOM 0 H LEU A 41 33.570 6.433 29.435 1.00 1.00 H new ATOM 0 HA LEU A 41 32.924 5.648 32.087 1.00 1.00 H new ATOM 0 HB2 LEU A 41 35.223 6.538 30.543 1.00 1.00 H new ATOM 0 HB3 LEU A 41 35.170 7.427 32.052 1.00 1.00 H new ATOM 0 HG LEU A 41 34.903 4.388 31.854 1.00 1.00 H new ATOM 0 HD11 LEU A 41 37.218 4.343 32.738 1.00 1.00 H new ATOM 0 HD12 LEU A 41 37.153 5.163 31.160 1.00 1.00 H new ATOM 0 HD13 LEU A 41 37.285 6.119 32.655 1.00 1.00 H new ATOM 0 HD21 LEU A 41 35.277 4.490 34.304 1.00 1.00 H new ATOM 0 HD22 LEU A 41 35.343 6.267 34.220 1.00 1.00 H new ATOM 0 HD23 LEU A 41 33.828 5.414 33.841 1.00 1.00 H new ATOM 620 N GLY A 42 32.672 8.837 31.334 1.00 1.00 N ATOM 621 CA GLY A 42 32.166 10.118 31.818 1.00 1.00 C ATOM 622 C GLY A 42 31.804 11.034 30.654 1.00 1.00 C ATOM 623 O GLY A 42 32.245 12.182 30.596 1.00 1.00 O ATOM 0 H GLY A 42 32.952 8.833 30.353 1.00 1.00 H new ATOM 0 HA2 GLY A 42 31.289 9.954 32.444 1.00 1.00 H new ATOM 0 HA3 GLY A 42 32.919 10.598 32.444 1.00 1.00 H new ATOM 627 N THR A 43 31.000 10.520 29.730 1.00 1.00 N ATOM 628 CA THR A 43 30.585 11.303 28.571 1.00 1.00 C ATOM 629 C THR A 43 29.168 11.834 28.764 1.00 1.00 C ATOM 630 O THR A 43 28.895 13.009 28.513 1.00 1.00 O ATOM 631 CB THR A 43 30.642 10.439 27.310 1.00 1.00 C ATOM 632 OG1 THR A 43 30.356 11.244 26.174 1.00 1.00 O ATOM 633 CG2 THR A 43 29.612 9.314 27.412 1.00 1.00 C ATOM 0 H THR A 43 30.625 9.572 29.759 1.00 1.00 H new ATOM 0 HA THR A 43 31.266 12.148 28.463 1.00 1.00 H new ATOM 0 HB THR A 43 31.638 10.007 27.210 1.00 1.00 H new ATOM 0 HG1 THR A 43 30.067 10.672 25.432 1.00 1.00 H new ATOM 0 HG21 THR A 43 29.654 8.700 26.513 1.00 1.00 H new ATOM 0 HG22 THR A 43 29.832 8.697 28.283 1.00 1.00 H new ATOM 0 HG23 THR A 43 28.615 9.742 27.513 1.00 1.00 H new ATOM 641 N THR A 44 28.269 10.962 29.208 1.00 1.00 N ATOM 642 CA THR A 44 26.882 11.354 29.430 1.00 1.00 C ATOM 643 C THR A 44 26.626 11.602 30.912 1.00 1.00 C ATOM 644 O THR A 44 26.182 12.680 31.304 1.00 1.00 O ATOM 645 CB THR A 44 25.942 10.258 28.923 1.00 1.00 C ATOM 646 OG1 THR A 44 26.526 8.986 29.167 1.00 1.00 O ATOM 647 CG2 THR A 44 25.710 10.436 27.422 1.00 1.00 C ATOM 0 H THR A 44 28.474 9.986 29.420 1.00 1.00 H new ATOM 0 HA THR A 44 26.692 12.277 28.882 1.00 1.00 H new ATOM 0 HB THR A 44 24.988 10.326 29.446 1.00 1.00 H new ATOM 0 HG1 THR A 44 25.925 8.283 28.845 1.00 1.00 H new ATOM 0 HG21 THR A 44 25.040 9.655 27.062 1.00 1.00 H new ATOM 0 HG22 THR A 44 25.262 11.412 27.236 1.00 1.00 H new ATOM 0 HG23 THR A 44 26.662 10.368 26.896 1.00 1.00 H new ATOM 655 N GLY A 45 26.907 10.594 31.733 1.00 1.00 N ATOM 656 CA GLY A 45 26.703 10.714 33.172 1.00 1.00 C ATOM 657 C GLY A 45 26.713 9.343 33.839 1.00 1.00 C ATOM 658 O GLY A 45 27.355 9.149 34.871 1.00 1.00 O ATOM 0 H GLY A 45 27.274 9.692 31.429 1.00 1.00 H new ATOM 0 HA2 GLY A 45 27.485 11.338 33.603 1.00 1.00 H new ATOM 0 HA3 GLY A 45 25.753 11.212 33.369 1.00 1.00 H new ATOM 662 N ASN A 46 25.998 8.395 33.241 1.00 1.00 N ATOM 663 CA ASN A 46 25.933 7.043 33.787 1.00 1.00 C ATOM 664 C ASN A 46 25.298 7.055 35.174 1.00 1.00 C ATOM 665 O ASN A 46 25.878 7.576 36.127 1.00 1.00 O ATOM 666 CB ASN A 46 27.338 6.445 33.872 1.00 1.00 C ATOM 667 CG ASN A 46 27.385 5.118 33.122 1.00 1.00 C ATOM 668 OD1 ASN A 46 27.824 4.108 33.674 1.00 1.00 O ATOM 669 ND2 ASN A 46 26.957 5.058 31.891 1.00 1.00 N ATOM 0 H ASN A 46 25.460 8.535 32.386 1.00 1.00 H new ATOM 0 HA ASN A 46 25.319 6.433 33.124 1.00 1.00 H new ATOM 0 HB2 ASN A 46 28.064 7.138 33.447 1.00 1.00 H new ATOM 0 HB3 ASN A 46 27.615 6.293 34.915 1.00 1.00 H new ATOM 0 HD21 ASN A 46 26.985 4.174 31.384 1.00 1.00 H new ATOM 0 HD22 ASN A 46 26.594 5.896 31.436 1.00 1.00 H new ATOM 676 N GLY A 47 24.106 6.478 35.279 1.00 1.00 N ATOM 677 CA GLY A 47 23.401 6.429 36.554 1.00 1.00 C ATOM 678 C GLY A 47 21.920 6.743 36.371 1.00 1.00 C ATOM 679 O GLY A 47 21.089 5.839 36.283 1.00 1.00 O ATOM 0 H GLY A 47 23.611 6.040 34.502 1.00 1.00 H new ATOM 0 HA2 GLY A 47 23.515 5.440 36.999 1.00 1.00 H new ATOM 0 HA3 GLY A 47 23.845 7.143 37.247 1.00 1.00 H new ATOM 683 N LEU A 48 21.597 8.031 36.315 1.00 1.00 N ATOM 684 CA LEU A 48 20.212 8.454 36.142 1.00 1.00 C ATOM 685 C LEU A 48 20.136 9.682 35.240 1.00 1.00 C ATOM 686 O LEU A 48 19.057 10.219 34.995 1.00 1.00 O ATOM 687 CB LEU A 48 19.590 8.778 37.502 1.00 1.00 C ATOM 688 CG LEU A 48 18.478 7.775 37.809 1.00 1.00 C ATOM 689 CD1 LEU A 48 17.972 7.993 39.235 1.00 1.00 C ATOM 690 CD2 LEU A 48 17.324 7.977 36.824 1.00 1.00 C ATOM 0 H LEU A 48 22.269 8.795 36.386 1.00 1.00 H new ATOM 0 HA LEU A 48 19.659 7.639 35.675 1.00 1.00 H new ATOM 0 HB2 LEU A 48 20.352 8.741 38.280 1.00 1.00 H new ATOM 0 HB3 LEU A 48 19.189 9.791 37.498 1.00 1.00 H new ATOM 0 HG LEU A 48 18.867 6.761 37.713 1.00 1.00 H new ATOM 0 HD11 LEU A 48 17.179 7.278 39.453 1.00 1.00 H new ATOM 0 HD12 LEU A 48 18.793 7.851 39.938 1.00 1.00 H new ATOM 0 HD13 LEU A 48 17.583 9.007 39.332 1.00 1.00 H new ATOM 0 HD21 LEU A 48 16.530 7.262 37.042 1.00 1.00 H new ATOM 0 HD22 LEU A 48 16.936 8.991 36.921 1.00 1.00 H new ATOM 0 HD23 LEU A 48 17.683 7.822 35.806 1.00 1.00 H new ATOM 702 N VAL A 49 21.291 10.120 34.748 1.00 1.00 N ATOM 703 CA VAL A 49 21.344 11.285 33.873 1.00 1.00 C ATOM 704 C VAL A 49 20.837 10.931 32.478 1.00 1.00 C ATOM 705 O VAL A 49 19.924 11.573 31.958 1.00 1.00 O ATOM 706 CB VAL A 49 22.781 11.802 33.778 1.00 1.00 C ATOM 707 CG1 VAL A 49 22.816 13.062 32.912 1.00 1.00 C ATOM 708 CG2 VAL A 49 23.294 12.134 35.181 1.00 1.00 C ATOM 0 H VAL A 49 22.196 9.689 34.939 1.00 1.00 H new ATOM 0 HA VAL A 49 20.705 12.061 34.294 1.00 1.00 H new ATOM 0 HB VAL A 49 23.414 11.037 33.329 1.00 1.00 H new ATOM 0 HG11 VAL A 49 23.840 13.429 32.845 1.00 1.00 H new ATOM 0 HG12 VAL A 49 22.449 12.827 31.913 1.00 1.00 H new ATOM 0 HG13 VAL A 49 22.184 13.829 33.360 1.00 1.00 H new ATOM 0 HG21 VAL A 49 24.318 12.503 35.116 1.00 1.00 H new ATOM 0 HG22 VAL A 49 22.660 12.900 35.628 1.00 1.00 H new ATOM 0 HG23 VAL A 49 23.270 11.236 35.799 1.00 1.00 H new ATOM 718 N LEU A 50 21.435 9.906 31.879 1.00 1.00 N ATOM 719 CA LEU A 50 21.036 9.475 30.544 1.00 1.00 C ATOM 720 C LEU A 50 19.517 9.496 30.407 1.00 1.00 C ATOM 721 O LEU A 50 18.980 9.984 29.414 1.00 1.00 O ATOM 722 CB LEU A 50 21.554 8.060 30.270 1.00 1.00 C ATOM 723 CG LEU A 50 22.856 7.825 31.039 1.00 1.00 C ATOM 724 CD1 LEU A 50 22.541 7.294 32.440 1.00 1.00 C ATOM 725 CD2 LEU A 50 23.709 6.800 30.289 1.00 1.00 C ATOM 0 H LEU A 50 22.192 9.362 32.293 1.00 1.00 H new ATOM 0 HA LEU A 50 21.467 10.165 29.818 1.00 1.00 H new ATOM 0 HB2 LEU A 50 20.807 7.325 30.570 1.00 1.00 H new ATOM 0 HB3 LEU A 50 21.723 7.926 29.202 1.00 1.00 H new ATOM 0 HG LEU A 50 23.400 8.766 31.124 1.00 1.00 H new ATOM 0 HD11 LEU A 50 23.471 7.128 32.984 1.00 1.00 H new ATOM 0 HD12 LEU A 50 21.932 8.021 32.976 1.00 1.00 H new ATOM 0 HD13 LEU A 50 21.996 6.354 32.359 1.00 1.00 H new ATOM 0 HD21 LEU A 50 24.637 6.630 30.834 1.00 1.00 H new ATOM 0 HD22 LEU A 50 23.161 5.862 30.205 1.00 1.00 H new ATOM 0 HD23 LEU A 50 23.938 7.177 29.292 1.00 1.00 H new ATOM 737 N TRP A 51 18.830 8.962 31.412 1.00 1.00 N ATOM 738 CA TRP A 51 17.372 8.924 31.394 1.00 1.00 C ATOM 739 C TRP A 51 16.807 10.264 30.934 1.00 1.00 C ATOM 740 O TRP A 51 15.798 10.315 30.232 1.00 1.00 O ATOM 741 CB TRP A 51 16.842 8.595 32.790 1.00 1.00 C ATOM 742 CG TRP A 51 15.903 9.671 33.236 1.00 1.00 C ATOM 743 CD1 TRP A 51 16.277 10.887 33.695 1.00 1.00 C ATOM 744 CD2 TRP A 51 14.446 9.650 33.271 1.00 1.00 C ATOM 745 NE1 TRP A 51 15.143 11.614 34.010 1.00 1.00 N ATOM 746 CE2 TRP A 51 13.991 10.894 33.767 1.00 1.00 C ATOM 747 CE3 TRP A 51 13.487 8.682 32.925 1.00 1.00 C ATOM 748 CZ2 TRP A 51 12.630 11.168 33.914 1.00 1.00 C ATOM 749 CZ3 TRP A 51 12.117 8.955 33.073 1.00 1.00 C ATOM 750 CH2 TRP A 51 11.690 10.196 33.566 1.00 1.00 C ATOM 0 H TRP A 51 19.256 8.552 32.243 1.00 1.00 H new ATOM 0 HA TRP A 51 17.055 8.151 30.694 1.00 1.00 H new ATOM 0 HB2 TRP A 51 16.330 7.633 32.778 1.00 1.00 H new ATOM 0 HB3 TRP A 51 17.670 8.507 33.493 1.00 1.00 H new ATOM 0 HD1 TRP A 51 17.295 11.234 33.799 1.00 1.00 H new ATOM 0 HE1 TRP A 51 15.157 12.566 34.377 1.00 1.00 H new ATOM 0 HE3 TRP A 51 13.805 7.723 32.543 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 12.306 12.126 34.294 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 11.388 8.204 32.805 1.00 1.00 H new ATOM 0 HH2 TRP A 51 10.635 10.400 33.676 1.00 1.00 H new ATOM 761 N THR A 52 17.464 11.347 31.337 1.00 1.00 N ATOM 762 CA THR A 52 17.017 12.684 30.959 1.00 1.00 C ATOM 763 C THR A 52 17.463 13.017 29.539 1.00 1.00 C ATOM 764 O THR A 52 16.655 13.410 28.700 1.00 1.00 O ATOM 765 CB THR A 52 17.587 13.719 31.932 1.00 1.00 C ATOM 766 OG1 THR A 52 16.938 13.591 33.189 1.00 1.00 O ATOM 767 CG2 THR A 52 17.355 15.125 31.376 1.00 1.00 C ATOM 0 H THR A 52 18.301 11.327 31.920 1.00 1.00 H new ATOM 0 HA THR A 52 15.928 12.708 31.000 1.00 1.00 H new ATOM 0 HB THR A 52 18.657 13.552 32.057 1.00 1.00 H new ATOM 0 HG1 THR A 52 16.376 12.788 33.187 1.00 1.00 H new ATOM 0 HG21 THR A 52 17.761 15.862 32.069 1.00 1.00 H new ATOM 0 HG22 THR A 52 17.853 15.221 30.411 1.00 1.00 H new ATOM 0 HG23 THR A 52 16.286 15.295 31.251 1.00 1.00 H new ATOM 775 N VAL A 53 18.757 12.857 29.278 1.00 1.00 N ATOM 776 CA VAL A 53 19.300 13.144 27.956 1.00 1.00 C ATOM 777 C VAL A 53 18.502 12.417 26.879 1.00 1.00 C ATOM 778 O VAL A 53 18.465 12.845 25.724 1.00 1.00 O ATOM 779 CB VAL A 53 20.765 12.711 27.887 1.00 1.00 C ATOM 780 CG1 VAL A 53 21.398 13.251 26.603 1.00 1.00 C ATOM 781 CG2 VAL A 53 21.518 13.268 29.098 1.00 1.00 C ATOM 0 H VAL A 53 19.444 12.533 29.959 1.00 1.00 H new ATOM 0 HA VAL A 53 19.230 14.218 27.782 1.00 1.00 H new ATOM 0 HB VAL A 53 20.822 11.623 27.890 1.00 1.00 H new ATOM 0 HG11 VAL A 53 22.442 12.942 26.554 1.00 1.00 H new ATOM 0 HG12 VAL A 53 20.862 12.857 25.740 1.00 1.00 H new ATOM 0 HG13 VAL A 53 21.341 14.340 26.599 1.00 1.00 H new ATOM 0 HG21 VAL A 53 22.563 12.960 29.050 1.00 1.00 H new ATOM 0 HG22 VAL A 53 21.460 14.356 29.093 1.00 1.00 H new ATOM 0 HG23 VAL A 53 21.068 12.885 30.014 1.00 1.00 H new ATOM 791 N PHE A 54 17.865 11.316 27.263 1.00 1.00 N ATOM 792 CA PHE A 54 17.070 10.536 26.322 1.00 1.00 C ATOM 793 C PHE A 54 15.629 11.036 26.295 1.00 1.00 C ATOM 794 O PHE A 54 14.885 10.761 25.354 1.00 1.00 O ATOM 795 CB PHE A 54 17.093 9.059 26.717 1.00 1.00 C ATOM 796 CG PHE A 54 15.700 8.485 26.600 1.00 1.00 C ATOM 797 CD1 PHE A 54 15.187 8.147 25.343 1.00 1.00 C ATOM 798 CD2 PHE A 54 14.924 8.292 27.749 1.00 1.00 C ATOM 799 CE1 PHE A 54 13.896 7.615 25.234 1.00 1.00 C ATOM 800 CE2 PHE A 54 13.633 7.761 27.640 1.00 1.00 C ATOM 801 CZ PHE A 54 13.119 7.421 26.383 1.00 1.00 C ATOM 0 H PHE A 54 17.883 10.945 28.213 1.00 1.00 H new ATOM 0 HA PHE A 54 17.501 10.652 25.328 1.00 1.00 H new ATOM 0 HB2 PHE A 54 17.780 8.510 26.073 1.00 1.00 H new ATOM 0 HB3 PHE A 54 17.458 8.950 27.738 1.00 1.00 H new ATOM 0 HD1 PHE A 54 15.786 8.296 24.457 1.00 1.00 H new ATOM 0 HD2 PHE A 54 15.321 8.553 28.719 1.00 1.00 H new ATOM 0 HE1 PHE A 54 13.500 7.354 24.264 1.00 1.00 H new ATOM 0 HE2 PHE A 54 13.033 7.614 28.526 1.00 1.00 H new ATOM 0 HZ PHE A 54 12.124 7.009 26.299 1.00 1.00 H new ATOM 811 N ARG A 55 15.244 11.772 27.332 1.00 1.00 N ATOM 812 CA ARG A 55 13.889 12.307 27.416 1.00 1.00 C ATOM 813 C ARG A 55 13.749 13.552 26.548 1.00 1.00 C ATOM 814 O ARG A 55 12.766 13.710 25.825 1.00 1.00 O ATOM 815 CB ARG A 55 13.554 12.653 28.868 1.00 1.00 C ATOM 816 CG ARG A 55 13.300 11.365 29.655 1.00 1.00 C ATOM 817 CD ARG A 55 11.795 11.156 29.822 1.00 1.00 C ATOM 818 NE ARG A 55 11.101 11.459 28.576 1.00 1.00 N ATOM 819 CZ ARG A 55 9.822 11.143 28.407 1.00 1.00 C ATOM 820 NH1 ARG A 55 9.164 10.551 29.366 1.00 1.00 N ATOM 821 NH2 ARG A 55 9.222 11.425 27.282 1.00 1.00 N ATOM 0 H ARG A 55 15.845 12.011 28.121 1.00 1.00 H new ATOM 0 HA ARG A 55 13.196 11.548 27.054 1.00 1.00 H new ATOM 0 HB2 ARG A 55 14.375 13.211 29.319 1.00 1.00 H new ATOM 0 HB3 ARG A 55 12.674 13.295 28.906 1.00 1.00 H new ATOM 0 HG2 ARG A 55 13.740 10.515 29.133 1.00 1.00 H new ATOM 0 HG3 ARG A 55 13.780 11.423 30.632 1.00 1.00 H new ATOM 0 HD2 ARG A 55 11.594 10.126 30.117 1.00 1.00 H new ATOM 0 HD3 ARG A 55 11.419 11.795 30.621 1.00 1.00 H new ATOM 0 HE ARG A 55 11.607 11.922 27.821 1.00 1.00 H new ATOM 0 HH11 ARG A 55 9.632 10.331 30.245 1.00 1.00 H new ATOM 0 HH12 ARG A 55 8.182 10.308 29.236 1.00 1.00 H new ATOM 0 HH21 ARG A 55 9.736 11.888 26.532 1.00 1.00 H new ATOM 0 HH22 ARG A 55 8.240 11.182 27.153 1.00 1.00 H new ATOM 835 N LYS A 56 14.740 14.436 26.626 1.00 1.00 N ATOM 836 CA LYS A 56 14.716 15.666 25.842 1.00 1.00 C ATOM 837 C LYS A 56 14.755 15.352 24.350 1.00 1.00 C ATOM 838 O LYS A 56 13.985 15.909 23.568 1.00 1.00 O ATOM 839 CB LYS A 56 15.913 16.543 26.212 1.00 1.00 C ATOM 840 CG LYS A 56 16.145 16.481 27.723 1.00 1.00 C ATOM 841 CD LYS A 56 16.653 17.836 28.218 1.00 1.00 C ATOM 842 CE LYS A 56 17.938 18.204 27.475 1.00 1.00 C ATOM 843 NZ LYS A 56 18.867 18.907 28.405 1.00 1.00 N ATOM 0 H LYS A 56 15.563 14.325 27.219 1.00 1.00 H new ATOM 0 HA LYS A 56 13.792 16.199 26.065 1.00 1.00 H new ATOM 0 HB2 LYS A 56 16.803 16.203 25.683 1.00 1.00 H new ATOM 0 HB3 LYS A 56 15.732 17.573 25.903 1.00 1.00 H new ATOM 0 HG2 LYS A 56 15.218 16.220 28.233 1.00 1.00 H new ATOM 0 HG3 LYS A 56 16.869 15.701 27.959 1.00 1.00 H new ATOM 0 HD2 LYS A 56 15.895 18.602 28.055 1.00 1.00 H new ATOM 0 HD3 LYS A 56 16.840 17.796 29.291 1.00 1.00 H new ATOM 0 HE2 LYS A 56 18.412 17.305 27.081 1.00 1.00 H new ATOM 0 HE3 LYS A 56 17.707 18.843 26.623 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 19.741 19.157 27.900 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 18.413 19.772 28.761 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 19.096 18.283 29.204 1.00 1.00 H new ATOM 857 N LYS A 57 15.657 14.456 23.962 1.00 1.00 N ATOM 858 CA LYS A 57 15.788 14.076 22.560 1.00 1.00 C ATOM 859 C LYS A 57 14.682 13.103 22.163 1.00 1.00 C ATOM 860 O LYS A 57 14.953 12.004 21.682 1.00 1.00 O ATOM 861 CB LYS A 57 17.151 13.426 22.320 1.00 1.00 C ATOM 862 CG LYS A 57 18.236 14.504 22.306 1.00 1.00 C ATOM 863 CD LYS A 57 19.574 13.890 22.721 1.00 1.00 C ATOM 864 CE LYS A 57 20.698 14.898 22.477 1.00 1.00 C ATOM 865 NZ LYS A 57 21.397 14.564 21.205 1.00 1.00 N ATOM 0 H LYS A 57 16.303 13.983 24.593 1.00 1.00 H new ATOM 0 HA LYS A 57 15.702 14.975 21.950 1.00 1.00 H new ATOM 0 HB2 LYS A 57 17.360 12.695 23.101 1.00 1.00 H new ATOM 0 HB3 LYS A 57 17.147 12.887 21.373 1.00 1.00 H new ATOM 0 HG2 LYS A 57 18.317 14.939 21.310 1.00 1.00 H new ATOM 0 HG3 LYS A 57 17.969 15.312 22.986 1.00 1.00 H new ATOM 0 HD2 LYS A 57 19.546 13.609 23.774 1.00 1.00 H new ATOM 0 HD3 LYS A 57 19.759 12.979 22.153 1.00 1.00 H new ATOM 0 HE2 LYS A 57 20.291 15.908 22.426 1.00 1.00 H new ATOM 0 HE3 LYS A 57 21.404 14.880 23.308 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 22.161 15.249 21.039 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 21.798 13.607 21.270 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 20.720 14.602 20.416 1.00 1.00 H new ATOM 879 N GLY A 58 13.435 13.515 22.370 1.00 1.00 N ATOM 880 CA GLY A 58 12.296 12.672 22.030 1.00 1.00 C ATOM 881 C GLY A 58 12.265 12.376 20.535 1.00 1.00 C ATOM 882 O GLY A 58 13.251 11.909 19.964 1.00 1.00 O ATOM 0 H GLY A 58 13.189 14.421 22.769 1.00 1.00 H new ATOM 0 HA2 GLY A 58 12.350 11.738 22.589 1.00 1.00 H new ATOM 0 HA3 GLY A 58 11.371 13.167 22.326 1.00 1.00 H new ATOM 886 N HIS A 59 11.126 12.650 19.905 1.00 1.00 N ATOM 887 CA HIS A 59 10.979 12.408 18.475 1.00 1.00 C ATOM 888 C HIS A 59 11.303 13.672 17.682 1.00 1.00 C ATOM 889 O HIS A 59 12.286 13.717 16.943 1.00 1.00 O ATOM 890 CB HIS A 59 9.550 11.960 18.166 1.00 1.00 C ATOM 891 CG HIS A 59 8.948 11.323 19.388 1.00 1.00 C ATOM 892 ND1 HIS A 59 9.689 10.532 20.250 1.00 1.00 N ATOM 893 CD2 HIS A 59 7.677 11.353 19.906 1.00 1.00 C ATOM 894 CE1 HIS A 59 8.868 10.121 21.233 1.00 1.00 C ATOM 895 NE2 HIS A 59 7.628 10.593 21.071 1.00 1.00 N ATOM 0 H HIS A 59 10.298 13.037 20.359 1.00 1.00 H new ATOM 0 HA HIS A 59 11.676 11.622 18.184 1.00 1.00 H new ATOM 0 HB2 HIS A 59 8.949 12.815 17.855 1.00 1.00 H new ATOM 0 HB3 HIS A 59 9.551 11.252 17.337 1.00 1.00 H new ATOM 0 HD2 HIS A 59 6.842 11.885 19.475 1.00 1.00 H new ATOM 0 HE1 HIS A 59 9.173 9.487 22.053 1.00 1.00 H new ATOM 0 HE2 HIS A 59 6.820 10.431 21.672 1.00 1.00 H new ATOM 903 N HIS A 60 10.470 14.695 17.842 1.00 1.00 N ATOM 904 CA HIS A 60 10.677 15.953 17.136 1.00 1.00 C ATOM 905 C HIS A 60 11.949 16.639 17.626 1.00 1.00 C ATOM 906 O HIS A 60 11.892 17.689 18.265 1.00 1.00 O ATOM 907 CB HIS A 60 9.480 16.879 17.355 1.00 1.00 C ATOM 908 CG HIS A 60 9.653 18.125 16.530 1.00 1.00 C ATOM 909 ND1 HIS A 60 10.789 18.356 15.770 1.00 1.00 N ATOM 910 CD2 HIS A 60 8.844 19.218 16.336 1.00 1.00 C ATOM 911 CE1 HIS A 60 10.635 19.545 15.160 1.00 1.00 C ATOM 912 NE2 HIS A 60 9.466 20.113 15.471 1.00 1.00 N ATOM 0 H HIS A 60 9.651 14.678 18.450 1.00 1.00 H new ATOM 0 HA HIS A 60 10.779 15.738 16.072 1.00 1.00 H new ATOM 0 HB2 HIS A 60 8.557 16.370 17.076 1.00 1.00 H new ATOM 0 HB3 HIS A 60 9.395 17.138 18.410 1.00 1.00 H new ATOM 0 HD2 HIS A 60 7.873 19.361 16.786 1.00 1.00 H new ATOM 0 HE1 HIS A 60 11.367 19.987 14.500 1.00 1.00 H new ATOM 0 HE2 HIS A 60 9.107 21.010 15.144 1.00 1.00 H new ATOM 920 N HIS A 61 13.094 16.037 17.321 1.00 1.00 N ATOM 921 CA HIS A 61 14.374 16.599 17.736 1.00 1.00 C ATOM 922 C HIS A 61 14.699 17.850 16.924 1.00 1.00 C ATOM 923 O HIS A 61 15.059 18.887 17.482 1.00 1.00 O ATOM 924 CB HIS A 61 15.485 15.565 17.550 1.00 1.00 C ATOM 925 CG HIS A 61 15.761 15.384 16.082 1.00 1.00 C ATOM 926 ND1 HIS A 61 16.957 15.774 15.502 1.00 1.00 N ATOM 927 CD2 HIS A 61 15.006 14.855 15.066 1.00 1.00 C ATOM 928 CE1 HIS A 61 16.889 15.478 14.192 1.00 1.00 C ATOM 929 NE2 HIS A 61 15.721 14.916 13.872 1.00 1.00 N ATOM 0 H HIS A 61 13.162 15.167 16.792 1.00 1.00 H new ATOM 0 HA HIS A 61 14.305 16.871 18.789 1.00 1.00 H new ATOM 0 HB2 HIS A 61 16.390 15.891 18.064 1.00 1.00 H new ATOM 0 HB3 HIS A 61 15.190 14.615 17.995 1.00 1.00 H new ATOM 0 HD2 HIS A 61 14.010 14.453 15.175 1.00 1.00 H new ATOM 0 HE1 HIS A 61 17.682 15.671 13.485 1.00 1.00 H new ATOM 0 HE2 HIS A 61 15.417 14.599 12.951 1.00 1.00 H new ATOM 937 N HIS A 62 14.568 17.744 15.607 1.00 1.00 N ATOM 938 CA HIS A 62 14.851 18.871 14.728 1.00 1.00 C ATOM 939 C HIS A 62 14.259 18.632 13.343 1.00 1.00 C ATOM 940 O HIS A 62 14.528 17.610 12.711 1.00 1.00 O ATOM 941 CB HIS A 62 16.361 19.075 14.613 1.00 1.00 C ATOM 942 CG HIS A 62 16.682 19.711 13.288 1.00 1.00 C ATOM 943 ND1 HIS A 62 16.678 21.086 13.107 1.00 1.00 N ATOM 944 CD2 HIS A 62 17.017 19.174 12.070 1.00 1.00 C ATOM 945 CE1 HIS A 62 17.002 21.327 11.824 1.00 1.00 C ATOM 946 NE2 HIS A 62 17.220 20.197 11.146 1.00 1.00 N ATOM 0 H HIS A 62 14.270 16.895 15.127 1.00 1.00 H new ATOM 0 HA HIS A 62 14.396 19.765 15.154 1.00 1.00 H new ATOM 0 HB2 HIS A 62 16.716 19.707 15.427 1.00 1.00 H new ATOM 0 HB3 HIS A 62 16.876 18.119 14.704 1.00 1.00 H new ATOM 0 HD2 HIS A 62 17.109 18.119 11.860 1.00 1.00 H new ATOM 0 HE1 HIS A 62 17.077 22.315 11.394 1.00 1.00 H new ATOM 0 HE2 HIS A 62 17.479 20.103 10.164 1.00 1.00 H new ATOM 954 N HIS A 63 13.454 19.581 12.877 1.00 1.00 N ATOM 955 CA HIS A 63 12.831 19.464 11.566 1.00 1.00 C ATOM 956 C HIS A 63 12.324 20.823 11.090 1.00 1.00 C ATOM 957 O HIS A 63 11.801 21.611 11.877 1.00 1.00 O ATOM 958 CB HIS A 63 11.667 18.476 11.629 1.00 1.00 C ATOM 959 CG HIS A 63 12.182 17.078 11.425 1.00 1.00 C ATOM 960 ND1 HIS A 63 11.840 16.033 12.269 1.00 1.00 N ATOM 961 CD2 HIS A 63 13.016 16.536 10.478 1.00 1.00 C ATOM 962 CE1 HIS A 63 12.459 14.927 11.818 1.00 1.00 C ATOM 963 NE2 HIS A 63 13.190 15.179 10.728 1.00 1.00 N ATOM 0 H HIS A 63 13.219 20.434 13.385 1.00 1.00 H new ATOM 0 HA HIS A 63 13.578 19.101 10.860 1.00 1.00 H new ATOM 0 HB2 HIS A 63 11.164 18.552 12.593 1.00 1.00 H new ATOM 0 HB3 HIS A 63 10.929 18.718 10.864 1.00 1.00 H new ATOM 0 HD2 HIS A 63 13.468 17.081 9.663 1.00 1.00 H new ATOM 0 HE1 HIS A 63 12.375 13.954 12.280 1.00 1.00 H new ATOM 0 HE2 HIS A 63 13.754 14.518 10.194 1.00 1.00 H new ATOM 971 N HIS A 64 12.485 21.088 9.798 1.00 1.00 N ATOM 972 CA HIS A 64 12.039 22.355 9.227 1.00 1.00 C ATOM 973 C HIS A 64 12.751 23.524 9.899 1.00 1.00 C ATOM 974 O HIS A 64 13.481 23.282 10.847 1.00 1.00 O ATOM 975 CB HIS A 64 10.527 22.506 9.407 1.00 1.00 C ATOM 976 CG HIS A 64 9.878 22.685 8.062 1.00 1.00 C ATOM 977 ND1 HIS A 64 9.005 23.728 7.797 1.00 1.00 N ATOM 978 CD2 HIS A 64 9.965 21.963 6.898 1.00 1.00 C ATOM 979 CE1 HIS A 64 8.604 23.606 6.518 1.00 1.00 C ATOM 980 NE2 HIS A 64 9.160 22.547 5.924 1.00 1.00 N ATOM 981 OXT HIS A 64 12.559 24.644 9.456 1.00 1.00 O ATOM 0 H HIS A 64 12.917 20.449 9.131 1.00 1.00 H new ATOM 0 HA HIS A 64 12.280 22.358 8.164 1.00 1.00 H new ATOM 0 HB2 HIS A 64 10.120 21.626 9.905 1.00 1.00 H new ATOM 0 HB3 HIS A 64 10.310 23.363 10.045 1.00 1.00 H new ATOM 0 HD2 HIS A 64 10.566 21.077 6.759 1.00 1.00 H new ATOM 0 HE1 HIS A 64 7.916 24.282 6.031 1.00 1.00 H new ATOM 0 HE2 HIS A 64 9.024 22.233 4.963 1.00 1.00 H new TER 989 HIS A 64