USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=18 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+ 129:sc= 0.0707 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.4!) USER MOD Single : A 10 TYR OH : rot 88:sc= 0.0291 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.415 X(o=-0.42,f=-0.84) USER MOD Single : A 16 GLN : amide:sc= -0.815 K(o=-0.81,f=-0.13) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 10:sc= 0.471 USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0702) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -23:sc= 0.295 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -131:sc= -0.0959 (180deg=-0.532) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0497! USER MOD Single : A 44 THR OG1 : rot -115:sc= 0 USER MOD Single : A 46 ASN : amide:sc=-0.00574 K(o=-0.0057,f=-0.76) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= -0.0229 (180deg=-0.351) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 60 HIS : no HE2:sc= -0.295 K(o=-0.3,f=-5.6!) USER MOD Single : A 61 HIS : no HE2:sc= -1.78! C(o=-1.8!,f=-4.7!) USER MOD Single : A 62 HIS : no HD1:sc= -2.11! K(o=-2.1!,f=-0.89) USER MOD Single : A 63 HIS : no HD1:sc= -2.21! K(o=-2.2!,f=-1.2) USER MOD Single : A 64 HIS : no HD1:sc= -0.0826 X(o=-0.083,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.210 -3.093 -34.813 1.00 1.00 N ATOM 2 CA MET A 1 2.517 -2.109 -33.738 1.00 1.00 C ATOM 3 C MET A 1 4.022 -1.868 -33.688 1.00 1.00 C ATOM 4 O MET A 1 4.810 -2.724 -34.088 1.00 1.00 O ATOM 5 CB MET A 1 2.030 -2.657 -32.395 1.00 1.00 C ATOM 6 CG MET A 1 0.545 -2.331 -32.219 1.00 1.00 C ATOM 7 SD MET A 1 -0.162 -3.410 -30.948 1.00 1.00 S ATOM 8 CE MET A 1 0.149 -2.327 -29.532 1.00 1.00 C ATOM 0 H1 MET A 1 1.612 -3.852 -34.428 1.00 1.00 H new ATOM 0 H2 MET A 1 1.707 -2.615 -35.588 1.00 1.00 H new ATOM 0 H3 MET A 1 3.096 -3.500 -35.175 1.00 1.00 H new ATOM 0 HA MET A 1 2.010 -1.166 -33.945 1.00 1.00 H new ATOM 0 HB2 MET A 1 2.184 -3.735 -32.353 1.00 1.00 H new ATOM 0 HB3 MET A 1 2.608 -2.220 -31.581 1.00 1.00 H new ATOM 0 HG2 MET A 1 0.422 -1.286 -31.934 1.00 1.00 H new ATOM 0 HG3 MET A 1 0.017 -2.468 -33.163 1.00 1.00 H new ATOM 0 HE1 MET A 1 -0.215 -2.804 -28.622 1.00 1.00 H new ATOM 0 HE2 MET A 1 1.220 -2.144 -29.442 1.00 1.00 H new ATOM 0 HE3 MET A 1 -0.370 -1.380 -29.678 1.00 1.00 H new ATOM 20 N GLU A 2 4.413 -0.698 -33.193 1.00 1.00 N ATOM 21 CA GLU A 2 5.826 -0.356 -33.094 1.00 1.00 C ATOM 22 C GLU A 2 6.011 0.937 -32.305 1.00 1.00 C ATOM 23 O GLU A 2 5.892 2.032 -32.853 1.00 1.00 O ATOM 24 CB GLU A 2 6.423 -0.192 -34.493 1.00 1.00 C ATOM 25 CG GLU A 2 5.460 0.613 -35.367 1.00 1.00 C ATOM 26 CD GLU A 2 4.696 -0.322 -36.300 1.00 1.00 C ATOM 27 OE1 GLU A 2 5.320 -0.880 -37.187 1.00 1.00 O ATOM 28 OE2 GLU A 2 3.499 -0.466 -36.111 1.00 1.00 O ATOM 0 H GLU A 2 3.776 0.024 -32.857 1.00 1.00 H new ATOM 0 HA GLU A 2 6.340 -1.163 -32.572 1.00 1.00 H new ATOM 0 HB2 GLU A 2 7.386 0.315 -34.432 1.00 1.00 H new ATOM 0 HB3 GLU A 2 6.605 -1.170 -34.939 1.00 1.00 H new ATOM 0 HG2 GLU A 2 4.760 1.165 -34.739 1.00 1.00 H new ATOM 0 HG3 GLU A 2 6.014 1.349 -35.950 1.00 1.00 H new ATOM 35 N GLU A 3 6.302 0.800 -31.015 1.00 1.00 N ATOM 36 CA GLU A 3 6.501 1.963 -30.160 1.00 1.00 C ATOM 37 C GLU A 3 7.661 1.729 -29.196 1.00 1.00 C ATOM 38 O GLU A 3 7.451 1.482 -28.008 1.00 1.00 O ATOM 39 CB GLU A 3 5.226 2.253 -29.366 1.00 1.00 C ATOM 40 CG GLU A 3 4.013 2.143 -30.292 1.00 1.00 C ATOM 41 CD GLU A 3 2.823 2.876 -29.680 1.00 1.00 C ATOM 42 OE1 GLU A 3 2.866 4.094 -29.627 1.00 1.00 O ATOM 43 OE2 GLU A 3 1.886 2.207 -29.274 1.00 1.00 O ATOM 0 H GLU A 3 6.404 -0.098 -30.542 1.00 1.00 H new ATOM 0 HA GLU A 3 6.737 2.818 -30.793 1.00 1.00 H new ATOM 0 HB2 GLU A 3 5.131 1.549 -28.540 1.00 1.00 H new ATOM 0 HB3 GLU A 3 5.275 3.251 -28.930 1.00 1.00 H new ATOM 0 HG2 GLU A 3 4.250 2.568 -31.268 1.00 1.00 H new ATOM 0 HG3 GLU A 3 3.762 1.095 -30.453 1.00 1.00 H new ATOM 50 N GLY A 4 8.881 1.808 -29.717 1.00 1.00 N ATOM 51 CA GLY A 4 10.068 1.601 -28.894 1.00 1.00 C ATOM 52 C GLY A 4 10.685 0.234 -29.163 1.00 1.00 C ATOM 53 O GLY A 4 11.149 -0.440 -28.243 1.00 1.00 O ATOM 0 H GLY A 4 9.074 2.012 -30.698 1.00 1.00 H new ATOM 0 HA2 GLY A 4 10.800 2.382 -29.101 1.00 1.00 H new ATOM 0 HA3 GLY A 4 9.803 1.684 -27.840 1.00 1.00 H new ATOM 57 N GLY A 5 10.688 -0.169 -30.429 1.00 1.00 N ATOM 58 CA GLY A 5 11.252 -1.460 -30.808 1.00 1.00 C ATOM 59 C GLY A 5 12.760 -1.359 -31.005 1.00 1.00 C ATOM 60 O GLY A 5 13.333 -0.272 -30.932 1.00 1.00 O ATOM 0 H GLY A 5 10.310 0.374 -31.205 1.00 1.00 H new ATOM 0 HA2 GLY A 5 11.031 -2.198 -30.037 1.00 1.00 H new ATOM 0 HA3 GLY A 5 10.784 -1.810 -31.728 1.00 1.00 H new ATOM 64 N ASP A 6 13.396 -2.498 -31.258 1.00 1.00 N ATOM 65 CA ASP A 6 14.840 -2.525 -31.465 1.00 1.00 C ATOM 66 C ASP A 6 15.543 -1.616 -30.461 1.00 1.00 C ATOM 67 O ASP A 6 15.713 -0.422 -30.705 1.00 1.00 O ATOM 68 CB ASP A 6 15.172 -2.071 -32.887 1.00 1.00 C ATOM 69 CG ASP A 6 16.669 -2.208 -33.142 1.00 1.00 C ATOM 70 OD1 ASP A 6 17.412 -1.373 -32.653 1.00 1.00 O ATOM 71 OD2 ASP A 6 17.051 -3.146 -33.822 1.00 1.00 O ATOM 0 H ASP A 6 12.939 -3.408 -31.324 1.00 1.00 H new ATOM 0 HA ASP A 6 15.190 -3.547 -31.319 1.00 1.00 H new ATOM 0 HB2 ASP A 6 14.616 -2.670 -33.608 1.00 1.00 H new ATOM 0 HB3 ASP A 6 14.864 -1.035 -33.028 1.00 1.00 H new ATOM 76 N PHE A 7 15.947 -2.190 -29.332 1.00 1.00 N ATOM 77 CA PHE A 7 16.631 -1.422 -28.299 1.00 1.00 C ATOM 78 C PHE A 7 18.087 -1.182 -28.684 1.00 1.00 C ATOM 79 O PHE A 7 18.651 -1.912 -29.499 1.00 1.00 O ATOM 80 CB PHE A 7 16.570 -2.171 -26.966 1.00 1.00 C ATOM 81 CG PHE A 7 15.284 -2.958 -26.888 1.00 1.00 C ATOM 82 CD1 PHE A 7 15.234 -4.266 -27.386 1.00 1.00 C ATOM 83 CD2 PHE A 7 14.143 -2.381 -26.318 1.00 1.00 C ATOM 84 CE1 PHE A 7 14.040 -4.996 -27.314 1.00 1.00 C ATOM 85 CE2 PHE A 7 12.951 -3.111 -26.247 1.00 1.00 C ATOM 86 CZ PHE A 7 12.899 -4.419 -26.744 1.00 1.00 C ATOM 0 H PHE A 7 15.814 -3.177 -29.111 1.00 1.00 H new ATOM 0 HA PHE A 7 16.131 -0.459 -28.198 1.00 1.00 H new ATOM 0 HB2 PHE A 7 17.425 -2.841 -26.874 1.00 1.00 H new ATOM 0 HB3 PHE A 7 16.628 -1.465 -26.137 1.00 1.00 H new ATOM 0 HD1 PHE A 7 16.114 -4.711 -27.825 1.00 1.00 H new ATOM 0 HD2 PHE A 7 14.183 -1.373 -25.933 1.00 1.00 H new ATOM 0 HE1 PHE A 7 14.000 -6.004 -27.699 1.00 1.00 H new ATOM 0 HE2 PHE A 7 12.071 -2.665 -25.808 1.00 1.00 H new ATOM 0 HZ PHE A 7 11.979 -4.982 -26.688 1.00 1.00 H new ATOM 96 N ASP A 8 18.688 -0.155 -28.093 1.00 1.00 N ATOM 97 CA ASP A 8 20.079 0.173 -28.383 1.00 1.00 C ATOM 98 C ASP A 8 20.764 0.743 -27.145 1.00 1.00 C ATOM 99 O ASP A 8 21.329 1.837 -27.184 1.00 1.00 O ATOM 100 CB ASP A 8 20.150 1.191 -29.522 1.00 1.00 C ATOM 101 CG ASP A 8 21.598 1.381 -29.962 1.00 1.00 C ATOM 102 OD1 ASP A 8 22.189 0.415 -30.417 1.00 1.00 O ATOM 103 OD2 ASP A 8 22.094 2.489 -29.839 1.00 1.00 O ATOM 0 H ASP A 8 18.238 0.460 -27.415 1.00 1.00 H new ATOM 0 HA ASP A 8 20.593 -0.741 -28.681 1.00 1.00 H new ATOM 0 HB2 ASP A 8 19.547 0.850 -30.364 1.00 1.00 H new ATOM 0 HB3 ASP A 8 19.732 2.144 -29.196 1.00 1.00 H new ATOM 108 N ASN A 9 20.710 -0.004 -26.048 1.00 1.00 N ATOM 109 CA ASN A 9 21.329 0.437 -24.803 1.00 1.00 C ATOM 110 C ASN A 9 22.033 -0.727 -24.112 1.00 1.00 C ATOM 111 O ASN A 9 21.938 -0.888 -22.896 1.00 1.00 O ATOM 112 CB ASN A 9 20.267 1.020 -23.870 1.00 1.00 C ATOM 113 CG ASN A 9 20.932 1.859 -22.783 1.00 1.00 C ATOM 114 OD1 ASN A 9 22.032 1.538 -22.335 1.00 1.00 O ATOM 115 ND2 ASN A 9 20.325 2.922 -22.331 1.00 1.00 N ATOM 0 H ASN A 9 20.247 -0.912 -25.995 1.00 1.00 H new ATOM 0 HA ASN A 9 22.067 1.204 -25.038 1.00 1.00 H new ATOM 0 HB2 ASN A 9 19.569 1.634 -24.439 1.00 1.00 H new ATOM 0 HB3 ASN A 9 19.688 0.215 -23.417 1.00 1.00 H new ATOM 0 HD21 ASN A 9 20.762 3.489 -21.605 1.00 1.00 H new ATOM 0 HD22 ASN A 9 19.413 3.186 -22.704 1.00 1.00 H new ATOM 122 N TYR A 10 22.740 -1.534 -24.897 1.00 1.00 N ATOM 123 CA TYR A 10 23.455 -2.681 -24.350 1.00 1.00 C ATOM 124 C TYR A 10 24.362 -2.248 -23.202 1.00 1.00 C ATOM 125 O TYR A 10 25.492 -1.812 -23.421 1.00 1.00 O ATOM 126 CB TYR A 10 24.295 -3.343 -25.443 1.00 1.00 C ATOM 127 CG TYR A 10 23.465 -3.491 -26.695 1.00 1.00 C ATOM 128 CD1 TYR A 10 22.469 -4.473 -26.764 1.00 1.00 C ATOM 129 CD2 TYR A 10 23.689 -2.645 -27.789 1.00 1.00 C ATOM 130 CE1 TYR A 10 21.700 -4.610 -27.925 1.00 1.00 C ATOM 131 CE2 TYR A 10 22.920 -2.782 -28.950 1.00 1.00 C ATOM 132 CZ TYR A 10 21.925 -3.764 -29.018 1.00 1.00 C ATOM 133 OH TYR A 10 21.166 -3.899 -30.163 1.00 1.00 O ATOM 0 H TYR A 10 22.833 -1.416 -25.906 1.00 1.00 H new ATOM 0 HA TYR A 10 22.723 -3.395 -23.972 1.00 1.00 H new ATOM 0 HB2 TYR A 10 25.181 -2.742 -25.650 1.00 1.00 H new ATOM 0 HB3 TYR A 10 24.644 -4.320 -25.107 1.00 1.00 H new ATOM 0 HD1 TYR A 10 22.294 -5.125 -25.921 1.00 1.00 H new ATOM 0 HD2 TYR A 10 24.456 -1.886 -27.736 1.00 1.00 H new ATOM 0 HE1 TYR A 10 20.933 -5.368 -27.978 1.00 1.00 H new ATOM 0 HE2 TYR A 10 23.094 -2.130 -29.793 1.00 1.00 H new ATOM 0 HH TYR A 10 20.355 -3.355 -30.084 1.00 1.00 H new ATOM 143 N TYR A 11 23.859 -2.373 -21.978 1.00 1.00 N ATOM 144 CA TYR A 11 24.633 -1.990 -20.802 1.00 1.00 C ATOM 145 C TYR A 11 25.955 -2.752 -20.760 1.00 1.00 C ATOM 146 O TYR A 11 26.231 -3.582 -21.625 1.00 1.00 O ATOM 147 CB TYR A 11 23.832 -2.284 -19.532 1.00 1.00 C ATOM 148 CG TYR A 11 23.161 -1.019 -19.056 1.00 1.00 C ATOM 149 CD1 TYR A 11 21.879 -0.690 -19.516 1.00 1.00 C ATOM 150 CD2 TYR A 11 23.819 -0.173 -18.156 1.00 1.00 C ATOM 151 CE1 TYR A 11 21.257 0.484 -19.075 1.00 1.00 C ATOM 152 CE2 TYR A 11 23.196 1.001 -17.715 1.00 1.00 C ATOM 153 CZ TYR A 11 21.915 1.329 -18.174 1.00 1.00 C ATOM 154 OH TYR A 11 21.301 2.486 -17.739 1.00 1.00 O ATOM 0 H TYR A 11 22.927 -2.733 -21.775 1.00 1.00 H new ATOM 0 HA TYR A 11 24.843 -0.922 -20.860 1.00 1.00 H new ATOM 0 HB2 TYR A 11 23.085 -3.052 -19.730 1.00 1.00 H new ATOM 0 HB3 TYR A 11 24.491 -2.673 -18.756 1.00 1.00 H new ATOM 0 HD1 TYR A 11 21.371 -1.342 -20.211 1.00 1.00 H new ATOM 0 HD2 TYR A 11 24.807 -0.426 -17.802 1.00 1.00 H new ATOM 0 HE1 TYR A 11 20.269 0.738 -19.430 1.00 1.00 H new ATOM 0 HE2 TYR A 11 23.704 1.654 -17.020 1.00 1.00 H new ATOM 0 HH TYR A 11 21.894 2.957 -17.116 1.00 1.00 H new ATOM 164 N GLY A 12 26.766 -2.463 -19.748 1.00 1.00 N ATOM 165 CA GLY A 12 28.056 -3.126 -19.603 1.00 1.00 C ATOM 166 C GLY A 12 29.024 -2.265 -18.801 1.00 1.00 C ATOM 167 O GLY A 12 29.297 -1.120 -19.160 1.00 1.00 O ATOM 0 H GLY A 12 26.555 -1.779 -19.021 1.00 1.00 H new ATOM 0 HA2 GLY A 12 27.921 -4.087 -19.107 1.00 1.00 H new ATOM 0 HA3 GLY A 12 28.476 -3.332 -20.588 1.00 1.00 H new ATOM 171 N ALA A 13 29.542 -2.823 -17.712 1.00 1.00 N ATOM 172 CA ALA A 13 30.481 -2.096 -16.864 1.00 1.00 C ATOM 173 C ALA A 13 31.130 -3.036 -15.855 1.00 1.00 C ATOM 174 O ALA A 13 31.171 -2.746 -14.659 1.00 1.00 O ATOM 175 CB ALA A 13 29.753 -0.972 -16.124 1.00 1.00 C ATOM 0 H ALA A 13 29.330 -3.770 -17.397 1.00 1.00 H new ATOM 0 HA ALA A 13 31.259 -1.669 -17.497 1.00 1.00 H new ATOM 0 HB1 ALA A 13 30.460 -0.434 -15.493 1.00 1.00 H new ATOM 0 HB2 ALA A 13 29.316 -0.284 -16.847 1.00 1.00 H new ATOM 0 HB3 ALA A 13 28.964 -1.396 -15.504 1.00 1.00 H new ATOM 181 N ASP A 14 31.638 -4.163 -16.344 1.00 1.00 N ATOM 182 CA ASP A 14 32.285 -5.139 -15.474 1.00 1.00 C ATOM 183 C ASP A 14 33.781 -4.860 -15.375 1.00 1.00 C ATOM 184 O ASP A 14 34.599 -5.605 -15.916 1.00 1.00 O ATOM 185 CB ASP A 14 32.063 -6.551 -16.018 1.00 1.00 C ATOM 186 CG ASP A 14 30.614 -6.715 -16.467 1.00 1.00 C ATOM 187 OD1 ASP A 14 29.778 -5.965 -15.988 1.00 1.00 O ATOM 188 OD2 ASP A 14 30.361 -7.588 -17.280 1.00 1.00 O ATOM 0 H ASP A 14 31.615 -4.422 -17.330 1.00 1.00 H new ATOM 0 HA ASP A 14 31.845 -5.059 -14.480 1.00 1.00 H new ATOM 0 HB2 ASP A 14 32.735 -6.737 -16.856 1.00 1.00 H new ATOM 0 HB3 ASP A 14 32.300 -7.287 -15.250 1.00 1.00 H new ATOM 193 N ASN A 15 34.132 -3.783 -14.679 1.00 1.00 N ATOM 194 CA ASN A 15 35.533 -3.415 -14.515 1.00 1.00 C ATOM 195 C ASN A 15 35.750 -2.711 -13.180 1.00 1.00 C ATOM 196 O ASN A 15 36.645 -1.877 -13.044 1.00 1.00 O ATOM 197 CB ASN A 15 35.970 -2.494 -15.656 1.00 1.00 C ATOM 198 CG ASN A 15 36.164 -3.303 -16.934 1.00 1.00 C ATOM 199 OD1 ASN A 15 35.221 -3.487 -17.703 1.00 1.00 O ATOM 200 ND2 ASN A 15 37.339 -3.801 -17.207 1.00 1.00 N ATOM 0 H ASN A 15 33.471 -3.154 -14.223 1.00 1.00 H new ATOM 0 HA ASN A 15 36.132 -4.326 -14.534 1.00 1.00 H new ATOM 0 HB2 ASN A 15 35.220 -1.719 -15.817 1.00 1.00 H new ATOM 0 HB3 ASN A 15 36.899 -1.989 -15.391 1.00 1.00 H new ATOM 0 HD21 ASN A 15 37.477 -4.344 -18.059 1.00 1.00 H new ATOM 0 HD22 ASN A 15 38.119 -3.647 -16.568 1.00 1.00 H new ATOM 207 N GLN A 16 34.924 -3.052 -12.196 1.00 1.00 N ATOM 208 CA GLN A 16 35.035 -2.446 -10.874 1.00 1.00 C ATOM 209 C GLN A 16 35.859 -3.332 -9.945 1.00 1.00 C ATOM 210 O GLN A 16 35.351 -3.842 -8.946 1.00 1.00 O ATOM 211 CB GLN A 16 33.641 -2.235 -10.278 1.00 1.00 C ATOM 212 CG GLN A 16 32.930 -3.584 -10.152 1.00 1.00 C ATOM 213 CD GLN A 16 31.533 -3.494 -10.758 1.00 1.00 C ATOM 214 OE1 GLN A 16 30.542 -3.742 -10.072 1.00 1.00 O ATOM 215 NE2 GLN A 16 31.396 -3.152 -12.010 1.00 1.00 N ATOM 0 H GLN A 16 34.176 -3.739 -12.287 1.00 1.00 H new ATOM 0 HA GLN A 16 35.536 -1.483 -10.977 1.00 1.00 H new ATOM 0 HB2 GLN A 16 33.720 -1.761 -9.300 1.00 1.00 H new ATOM 0 HB3 GLN A 16 33.061 -1.564 -10.911 1.00 1.00 H new ATOM 0 HG2 GLN A 16 33.507 -4.357 -10.659 1.00 1.00 H new ATOM 0 HG3 GLN A 16 32.863 -3.873 -9.103 1.00 1.00 H new ATOM 0 HE21 GLN A 16 32.220 -2.947 -12.576 1.00 1.00 H new ATOM 0 HE22 GLN A 16 30.465 -3.090 -12.423 1.00 1.00 H new ATOM 224 N SER A 17 37.132 -3.509 -10.281 1.00 1.00 N ATOM 225 CA SER A 17 38.018 -4.336 -9.469 1.00 1.00 C ATOM 226 C SER A 17 38.714 -3.491 -8.406 1.00 1.00 C ATOM 227 O SER A 17 39.465 -2.570 -8.726 1.00 1.00 O ATOM 228 CB SER A 17 39.066 -5.006 -10.357 1.00 1.00 C ATOM 229 OG SER A 17 38.819 -6.406 -10.399 1.00 1.00 O ATOM 0 H SER A 17 37.571 -3.095 -11.103 1.00 1.00 H new ATOM 0 HA SER A 17 37.419 -5.101 -8.975 1.00 1.00 H new ATOM 0 HB2 SER A 17 39.028 -4.588 -11.363 1.00 1.00 H new ATOM 0 HB3 SER A 17 40.066 -4.813 -9.969 1.00 1.00 H new ATOM 0 HG SER A 17 39.488 -6.839 -10.969 1.00 1.00 H new ATOM 235 N GLU A 18 38.460 -3.813 -7.142 1.00 1.00 N ATOM 236 CA GLU A 18 39.068 -3.076 -6.040 1.00 1.00 C ATOM 237 C GLU A 18 40.246 -3.853 -5.462 1.00 1.00 C ATOM 238 O GLU A 18 40.517 -4.983 -5.870 1.00 1.00 O ATOM 239 CB GLU A 18 38.030 -2.827 -4.943 1.00 1.00 C ATOM 240 CG GLU A 18 37.318 -1.498 -5.206 1.00 1.00 C ATOM 241 CD GLU A 18 36.891 -1.417 -6.668 1.00 1.00 C ATOM 242 OE1 GLU A 18 35.958 -2.114 -7.031 1.00 1.00 O ATOM 243 OE2 GLU A 18 37.501 -0.657 -7.401 1.00 1.00 O ATOM 0 H GLU A 18 37.843 -4.573 -6.856 1.00 1.00 H new ATOM 0 HA GLU A 18 39.429 -2.121 -6.421 1.00 1.00 H new ATOM 0 HB2 GLU A 18 37.306 -3.642 -4.921 1.00 1.00 H new ATOM 0 HB3 GLU A 18 38.515 -2.805 -3.967 1.00 1.00 H new ATOM 0 HG2 GLU A 18 36.446 -1.408 -4.558 1.00 1.00 H new ATOM 0 HG3 GLU A 18 37.981 -0.667 -4.965 1.00 1.00 H new ATOM 250 N CYS A 19 40.943 -3.241 -4.510 1.00 1.00 N ATOM 251 CA CYS A 19 42.091 -3.886 -3.883 1.00 1.00 C ATOM 252 C CYS A 19 42.755 -2.943 -2.884 1.00 1.00 C ATOM 253 O CYS A 19 42.486 -1.741 -2.878 1.00 1.00 O ATOM 254 CB CYS A 19 43.105 -4.299 -4.949 1.00 1.00 C ATOM 255 SG CYS A 19 43.086 -3.095 -6.300 1.00 1.00 S ATOM 0 H CYS A 19 40.735 -2.307 -4.158 1.00 1.00 H new ATOM 0 HA CYS A 19 41.742 -4.772 -3.353 1.00 1.00 H new ATOM 0 HB2 CYS A 19 44.103 -4.357 -4.514 1.00 1.00 H new ATOM 0 HB3 CYS A 19 42.865 -5.292 -5.329 1.00 1.00 H new ATOM 0 HG CYS A 19 43.950 -3.445 -7.206 1.00 1.00 H new ATOM 261 N GLU A 20 43.623 -3.495 -2.044 1.00 1.00 N ATOM 262 CA GLU A 20 44.321 -2.694 -1.045 1.00 1.00 C ATOM 263 C GLU A 20 43.324 -1.918 -0.189 1.00 1.00 C ATOM 264 O GLU A 20 43.705 -1.023 0.566 1.00 1.00 O ATOM 265 CB GLU A 20 45.274 -1.715 -1.734 1.00 1.00 C ATOM 266 CG GLU A 20 46.384 -1.313 -0.762 1.00 1.00 C ATOM 267 CD GLU A 20 46.820 0.123 -1.031 1.00 1.00 C ATOM 268 OE1 GLU A 20 47.178 0.411 -2.162 1.00 1.00 O ATOM 269 OE2 GLU A 20 46.788 0.915 -0.104 1.00 1.00 O ATOM 0 H GLU A 20 43.859 -4.487 -2.034 1.00 1.00 H new ATOM 0 HA GLU A 20 44.891 -3.365 -0.402 1.00 1.00 H new ATOM 0 HB2 GLU A 20 45.704 -2.175 -2.624 1.00 1.00 H new ATOM 0 HB3 GLU A 20 44.728 -0.831 -2.065 1.00 1.00 H new ATOM 0 HG2 GLU A 20 46.031 -1.408 0.265 1.00 1.00 H new ATOM 0 HG3 GLU A 20 47.235 -1.986 -0.870 1.00 1.00 H new ATOM 276 N TYR A 21 42.048 -2.267 -0.312 1.00 1.00 N ATOM 277 CA TYR A 21 41.005 -1.597 0.455 1.00 1.00 C ATOM 278 C TYR A 21 40.637 -2.417 1.688 1.00 1.00 C ATOM 279 O TYR A 21 39.803 -2.004 2.494 1.00 1.00 O ATOM 280 CB TYR A 21 39.763 -1.395 -0.415 1.00 1.00 C ATOM 281 CG TYR A 21 38.712 -2.409 -0.034 1.00 1.00 C ATOM 282 CD1 TYR A 21 38.762 -3.703 -0.565 1.00 1.00 C ATOM 283 CD2 TYR A 21 37.685 -2.054 0.848 1.00 1.00 C ATOM 284 CE1 TYR A 21 37.786 -4.643 -0.211 1.00 1.00 C ATOM 285 CE2 TYR A 21 36.709 -2.993 1.201 1.00 1.00 C ATOM 286 CZ TYR A 21 36.759 -4.288 0.671 1.00 1.00 C ATOM 287 OH TYR A 21 35.798 -5.214 1.018 1.00 1.00 O ATOM 0 H TYR A 21 41.713 -3.005 -0.931 1.00 1.00 H new ATOM 0 HA TYR A 21 41.384 -0.627 0.777 1.00 1.00 H new ATOM 0 HB2 TYR A 21 39.374 -0.385 -0.284 1.00 1.00 H new ATOM 0 HB3 TYR A 21 40.022 -1.502 -1.468 1.00 1.00 H new ATOM 0 HD1 TYR A 21 39.553 -3.977 -1.248 1.00 1.00 H new ATOM 0 HD2 TYR A 21 37.646 -1.055 1.256 1.00 1.00 H new ATOM 0 HE1 TYR A 21 37.826 -5.642 -0.619 1.00 1.00 H new ATOM 0 HE2 TYR A 21 35.917 -2.719 1.882 1.00 1.00 H new ATOM 0 HH TYR A 21 35.159 -4.806 1.639 1.00 1.00 H new ATOM 297 N THR A 22 41.263 -3.580 1.828 1.00 1.00 N ATOM 298 CA THR A 22 40.993 -4.451 2.966 1.00 1.00 C ATOM 299 C THR A 22 42.060 -4.273 4.042 1.00 1.00 C ATOM 300 O THR A 22 41.809 -4.509 5.224 1.00 1.00 O ATOM 301 CB THR A 22 40.962 -5.911 2.513 1.00 1.00 C ATOM 302 OG1 THR A 22 39.946 -6.080 1.534 1.00 1.00 O ATOM 303 CG2 THR A 22 40.673 -6.816 3.712 1.00 1.00 C ATOM 0 H THR A 22 41.957 -3.940 1.172 1.00 1.00 H new ATOM 0 HA THR A 22 40.023 -4.181 3.383 1.00 1.00 H new ATOM 0 HB THR A 22 41.928 -6.178 2.085 1.00 1.00 H new ATOM 0 HG1 THR A 22 39.611 -5.202 1.255 1.00 1.00 H new ATOM 0 HG21 THR A 22 40.651 -7.856 3.386 1.00 1.00 H new ATOM 0 HG22 THR A 22 41.453 -6.687 4.462 1.00 1.00 H new ATOM 0 HG23 THR A 22 39.708 -6.551 4.144 1.00 1.00 H new ATOM 311 N ASP A 23 43.251 -3.854 3.624 1.00 1.00 N ATOM 312 CA ASP A 23 44.349 -3.648 4.561 1.00 1.00 C ATOM 313 C ASP A 23 44.347 -2.214 5.081 1.00 1.00 C ATOM 314 O ASP A 23 45.366 -1.716 5.559 1.00 1.00 O ATOM 315 CB ASP A 23 45.684 -3.944 3.875 1.00 1.00 C ATOM 316 CG ASP A 23 46.145 -2.727 3.082 1.00 1.00 C ATOM 317 OD1 ASP A 23 45.293 -2.037 2.544 1.00 1.00 O ATOM 318 OD2 ASP A 23 47.342 -2.503 3.021 1.00 1.00 O ATOM 0 H ASP A 23 43.479 -3.652 2.650 1.00 1.00 H new ATOM 0 HA ASP A 23 44.216 -4.327 5.403 1.00 1.00 H new ATOM 0 HB2 ASP A 23 46.434 -4.208 4.620 1.00 1.00 H new ATOM 0 HB3 ASP A 23 45.579 -4.802 3.211 1.00 1.00 H new ATOM 323 N TRP A 24 43.196 -1.557 4.985 1.00 1.00 N ATOM 324 CA TRP A 24 43.072 -0.180 5.449 1.00 1.00 C ATOM 325 C TRP A 24 43.607 -0.042 6.874 1.00 1.00 C ATOM 326 O TRP A 24 44.817 0.030 7.086 1.00 1.00 O ATOM 327 CB TRP A 24 41.605 0.265 5.391 1.00 1.00 C ATOM 328 CG TRP A 24 40.705 -0.899 5.671 1.00 1.00 C ATOM 329 CD1 TRP A 24 41.014 -1.959 6.452 1.00 1.00 C ATOM 330 CD2 TRP A 24 39.352 -1.133 5.182 1.00 1.00 C ATOM 331 NE1 TRP A 24 39.939 -2.828 6.475 1.00 1.00 N ATOM 332 CE2 TRP A 24 38.890 -2.363 5.706 1.00 1.00 C ATOM 333 CE3 TRP A 24 38.489 -0.404 4.343 1.00 1.00 C ATOM 334 CZ2 TRP A 24 37.617 -2.854 5.410 1.00 1.00 C ATOM 335 CZ3 TRP A 24 37.208 -0.895 4.041 1.00 1.00 C ATOM 336 CH2 TRP A 24 36.774 -2.117 4.574 1.00 1.00 C ATOM 0 H TRP A 24 42.341 -1.952 4.593 1.00 1.00 H new ATOM 0 HA TRP A 24 43.664 0.460 4.795 1.00 1.00 H new ATOM 0 HB2 TRP A 24 41.427 1.056 6.120 1.00 1.00 H new ATOM 0 HB3 TRP A 24 41.381 0.680 4.408 1.00 1.00 H new ATOM 0 HD1 TRP A 24 41.949 -2.103 6.973 1.00 1.00 H new ATOM 0 HE1 TRP A 24 39.923 -3.705 6.996 1.00 1.00 H new ATOM 0 HE3 TRP A 24 38.814 0.539 3.929 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 37.287 -3.795 5.824 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 36.554 -0.328 3.395 1.00 1.00 H new ATOM 0 HH2 TRP A 24 35.788 -2.489 4.338 1.00 1.00 H new ATOM 347 N LYS A 25 42.701 -0.006 7.848 1.00 1.00 N ATOM 348 CA LYS A 25 43.101 0.123 9.244 1.00 1.00 C ATOM 349 C LYS A 25 44.039 -1.012 9.641 1.00 1.00 C ATOM 350 O LYS A 25 45.238 -0.802 9.828 1.00 1.00 O ATOM 351 CB LYS A 25 41.864 0.104 10.145 1.00 1.00 C ATOM 352 CG LYS A 25 40.932 1.255 9.758 1.00 1.00 C ATOM 353 CD LYS A 25 39.651 1.176 10.591 1.00 1.00 C ATOM 354 CE LYS A 25 38.543 0.524 9.762 1.00 1.00 C ATOM 355 NZ LYS A 25 38.018 1.507 8.772 1.00 1.00 N ATOM 0 H LYS A 25 41.694 -0.064 7.697 1.00 1.00 H new ATOM 0 HA LYS A 25 43.625 1.071 9.366 1.00 1.00 H new ATOM 0 HB2 LYS A 25 41.343 -0.848 10.046 1.00 1.00 H new ATOM 0 HB3 LYS A 25 42.161 0.198 11.190 1.00 1.00 H new ATOM 0 HG2 LYS A 25 41.429 2.211 9.925 1.00 1.00 H new ATOM 0 HG3 LYS A 25 40.692 1.201 8.696 1.00 1.00 H new ATOM 0 HD2 LYS A 25 39.829 0.598 11.498 1.00 1.00 H new ATOM 0 HD3 LYS A 25 39.346 2.175 10.904 1.00 1.00 H new ATOM 0 HE2 LYS A 25 38.929 -0.356 9.247 1.00 1.00 H new ATOM 0 HE3 LYS A 25 37.739 0.184 10.414 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 37.098 1.181 8.414 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 37.903 2.434 9.230 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 38.687 1.593 7.980 1.00 1.00 H new ATOM 369 N SER A 26 43.487 -2.213 9.767 1.00 1.00 N ATOM 370 CA SER A 26 44.284 -3.375 10.141 1.00 1.00 C ATOM 371 C SER A 26 45.005 -3.127 11.462 1.00 1.00 C ATOM 372 O SER A 26 45.900 -3.881 11.844 1.00 1.00 O ATOM 373 CB SER A 26 45.310 -3.678 9.049 1.00 1.00 C ATOM 374 OG SER A 26 45.558 -5.078 9.014 1.00 1.00 O ATOM 0 H SER A 26 42.497 -2.407 9.617 1.00 1.00 H new ATOM 0 HA SER A 26 43.615 -4.228 10.258 1.00 1.00 H new ATOM 0 HB2 SER A 26 44.940 -3.338 8.082 1.00 1.00 H new ATOM 0 HB3 SER A 26 46.236 -3.137 9.244 1.00 1.00 H new ATOM 0 HG SER A 26 46.214 -5.277 8.314 1.00 1.00 H new ATOM 380 N SER A 27 44.607 -2.064 12.156 1.00 1.00 N ATOM 381 CA SER A 27 45.222 -1.725 13.434 1.00 1.00 C ATOM 382 C SER A 27 44.384 -0.687 14.173 1.00 1.00 C ATOM 383 O SER A 27 44.237 -0.748 15.394 1.00 1.00 O ATOM 384 CB SER A 27 46.631 -1.178 13.207 1.00 1.00 C ATOM 385 OG SER A 27 47.405 -2.147 12.511 1.00 1.00 O ATOM 0 H SER A 27 43.868 -1.428 11.857 1.00 1.00 H new ATOM 0 HA SER A 27 45.277 -2.629 14.040 1.00 1.00 H new ATOM 0 HB2 SER A 27 46.586 -0.252 12.634 1.00 1.00 H new ATOM 0 HB3 SER A 27 47.099 -0.940 14.162 1.00 1.00 H new ATOM 0 HG SER A 27 47.025 -3.038 12.660 1.00 1.00 H new ATOM 391 N GLY A 28 43.838 0.265 13.425 1.00 1.00 N ATOM 392 CA GLY A 28 43.015 1.313 14.020 1.00 1.00 C ATOM 393 C GLY A 28 41.653 0.767 14.432 1.00 1.00 C ATOM 394 O GLY A 28 40.759 1.524 14.811 1.00 1.00 O ATOM 0 H GLY A 28 43.948 0.334 12.413 1.00 1.00 H new ATOM 0 HA2 GLY A 28 43.523 1.730 14.890 1.00 1.00 H new ATOM 0 HA3 GLY A 28 42.884 2.127 13.307 1.00 1.00 H new ATOM 398 N ALA A 29 41.500 -0.551 14.356 1.00 1.00 N ATOM 399 CA ALA A 29 40.242 -1.189 14.724 1.00 1.00 C ATOM 400 C ALA A 29 40.350 -1.830 16.104 1.00 1.00 C ATOM 401 O ALA A 29 39.431 -2.517 16.552 1.00 1.00 O ATOM 402 CB ALA A 29 39.875 -2.256 13.692 1.00 1.00 C ATOM 0 H ALA A 29 42.227 -1.195 14.045 1.00 1.00 H new ATOM 0 HA ALA A 29 39.464 -0.426 14.749 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.934 -2.727 13.975 1.00 1.00 H new ATOM 0 HB2 ALA A 29 39.768 -1.792 12.711 1.00 1.00 H new ATOM 0 HB3 ALA A 29 40.661 -3.010 13.653 1.00 1.00 H new ATOM 408 N LEU A 30 41.478 -1.599 16.771 1.00 1.00 N ATOM 409 CA LEU A 30 41.704 -2.156 18.101 1.00 1.00 C ATOM 410 C LEU A 30 41.778 -1.044 19.143 1.00 1.00 C ATOM 411 O LEU A 30 41.499 -1.264 20.321 1.00 1.00 O ATOM 412 CB LEU A 30 43.007 -2.958 18.117 1.00 1.00 C ATOM 413 CG LEU A 30 43.030 -3.920 16.928 1.00 1.00 C ATOM 414 CD1 LEU A 30 44.312 -4.751 16.968 1.00 1.00 C ATOM 415 CD2 LEU A 30 41.817 -4.851 17.004 1.00 1.00 C ATOM 0 H LEU A 30 42.247 -1.032 16.414 1.00 1.00 H new ATOM 0 HA LEU A 30 40.869 -2.813 18.345 1.00 1.00 H new ATOM 0 HB2 LEU A 30 43.862 -2.284 18.069 1.00 1.00 H new ATOM 0 HB3 LEU A 30 43.092 -3.515 19.050 1.00 1.00 H new ATOM 0 HG LEU A 30 42.996 -3.351 15.999 1.00 1.00 H new ATOM 0 HD11 LEU A 30 44.328 -5.436 16.121 1.00 1.00 H new ATOM 0 HD12 LEU A 30 45.176 -4.089 16.916 1.00 1.00 H new ATOM 0 HD13 LEU A 30 44.347 -5.321 17.896 1.00 1.00 H new ATOM 0 HD21 LEU A 30 41.832 -5.537 16.157 1.00 1.00 H new ATOM 0 HD22 LEU A 30 41.853 -5.420 17.933 1.00 1.00 H new ATOM 0 HD23 LEU A 30 40.902 -4.259 16.976 1.00 1.00 H new ATOM 427 N ILE A 31 42.156 0.152 18.702 1.00 1.00 N ATOM 428 CA ILE A 31 42.264 1.289 19.608 1.00 1.00 C ATOM 429 C ILE A 31 40.894 1.930 19.872 1.00 1.00 C ATOM 430 O ILE A 31 40.647 2.417 20.975 1.00 1.00 O ATOM 431 CB ILE A 31 43.236 2.331 19.037 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.671 1.957 19.435 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.896 3.724 19.579 1.00 1.00 C ATOM 434 CD1 ILE A 31 45.016 2.562 20.800 1.00 1.00 C ATOM 0 H ILE A 31 42.391 0.358 17.731 1.00 1.00 H new ATOM 0 HA ILE A 31 42.650 0.923 20.559 1.00 1.00 H new ATOM 0 HB ILE A 31 43.148 2.346 17.951 1.00 1.00 H new ATOM 0 HG12 ILE A 31 44.775 0.873 19.473 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.371 2.318 18.682 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.592 4.455 19.167 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.879 3.989 19.290 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.975 3.721 20.666 1.00 1.00 H new ATOM 0 HD11 ILE A 31 46.036 2.290 21.071 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.932 3.648 20.749 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.326 2.180 21.552 1.00 1.00 H new ATOM 446 N PRO A 32 40.001 1.946 18.906 1.00 1.00 N ATOM 447 CA PRO A 32 38.647 2.553 19.092 1.00 1.00 C ATOM 448 C PRO A 32 37.878 1.896 20.235 1.00 1.00 C ATOM 449 O PRO A 32 37.004 2.512 20.843 1.00 1.00 O ATOM 450 CB PRO A 32 37.939 2.314 17.753 1.00 1.00 C ATOM 451 CG PRO A 32 39.023 2.043 16.766 1.00 1.00 C ATOM 452 CD PRO A 32 40.165 1.402 17.548 1.00 1.00 C ATOM 0 HA PRO A 32 38.711 3.608 19.357 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.250 1.472 17.819 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.351 3.184 17.460 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.672 1.379 15.976 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.350 2.965 16.285 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.095 0.314 17.540 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.136 1.662 17.126 1.00 1.00 H new ATOM 460 N ALA A 33 38.212 0.641 20.521 1.00 1.00 N ATOM 461 CA ALA A 33 37.547 -0.091 21.592 1.00 1.00 C ATOM 462 C ALA A 33 38.011 0.414 22.955 1.00 1.00 C ATOM 463 O ALA A 33 37.232 0.463 23.907 1.00 1.00 O ATOM 464 CB ALA A 33 37.851 -1.585 21.470 1.00 1.00 C ATOM 0 H ALA A 33 38.934 0.114 20.030 1.00 1.00 H new ATOM 0 HA ALA A 33 36.473 0.070 21.504 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.351 -2.125 22.274 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.492 -1.952 20.508 1.00 1.00 H new ATOM 0 HB3 ALA A 33 38.927 -1.744 21.541 1.00 1.00 H new ATOM 470 N ILE A 34 39.283 0.790 23.041 1.00 1.00 N ATOM 471 CA ILE A 34 39.838 1.290 24.294 1.00 1.00 C ATOM 472 C ILE A 34 39.583 2.787 24.433 1.00 1.00 C ATOM 473 O ILE A 34 39.640 3.337 25.533 1.00 1.00 O ATOM 474 CB ILE A 34 41.342 1.019 24.343 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.583 -0.461 24.648 1.00 1.00 C ATOM 476 CG2 ILE A 34 41.980 1.875 25.438 1.00 1.00 C ATOM 477 CD1 ILE A 34 40.911 -1.320 23.576 1.00 1.00 C ATOM 0 H ILE A 34 39.944 0.759 22.265 1.00 1.00 H new ATOM 0 HA ILE A 34 39.349 0.772 25.119 1.00 1.00 H new ATOM 0 HB ILE A 34 41.788 1.270 23.380 1.00 1.00 H new ATOM 0 HG12 ILE A 34 42.653 -0.668 24.676 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.184 -0.710 25.631 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.052 1.682 25.473 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.808 2.929 25.222 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.535 1.625 26.401 1.00 1.00 H new ATOM 0 HD11 ILE A 34 41.083 -2.374 23.794 1.00 1.00 H new ATOM 0 HD12 ILE A 34 39.839 -1.121 23.569 1.00 1.00 H new ATOM 0 HD13 ILE A 34 41.331 -1.078 22.600 1.00 1.00 H new ATOM 489 N TYR A 35 39.302 3.441 23.312 1.00 1.00 N ATOM 490 CA TYR A 35 39.041 4.876 23.320 1.00 1.00 C ATOM 491 C TYR A 35 37.679 5.169 23.941 1.00 1.00 C ATOM 492 O TYR A 35 37.493 6.193 24.597 1.00 1.00 O ATOM 493 CB TYR A 35 39.080 5.422 21.892 1.00 1.00 C ATOM 494 CG TYR A 35 39.947 6.657 21.849 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.339 6.533 21.765 1.00 1.00 C ATOM 496 CD2 TYR A 35 39.360 7.927 21.893 1.00 1.00 C ATOM 497 CE1 TYR A 35 42.143 7.678 21.725 1.00 1.00 C ATOM 498 CE2 TYR A 35 40.163 9.073 21.852 1.00 1.00 C ATOM 499 CZ TYR A 35 41.556 8.948 21.768 1.00 1.00 C ATOM 500 OH TYR A 35 42.348 10.077 21.728 1.00 1.00 O ATOM 0 H TYR A 35 39.249 3.004 22.392 1.00 1.00 H new ATOM 0 HA TYR A 35 39.813 5.363 23.916 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.472 4.665 21.213 1.00 1.00 H new ATOM 0 HB3 TYR A 35 38.071 5.661 21.555 1.00 1.00 H new ATOM 0 HD1 TYR A 35 41.793 5.553 21.731 1.00 1.00 H new ATOM 0 HD2 TYR A 35 38.286 8.023 21.959 1.00 1.00 H new ATOM 0 HE1 TYR A 35 43.217 7.582 21.661 1.00 1.00 H new ATOM 0 HE2 TYR A 35 39.709 10.052 21.885 1.00 1.00 H new ATOM 0 HH TYR A 35 41.781 10.876 21.766 1.00 1.00 H new ATOM 510 N MET A 36 36.730 4.264 23.729 1.00 1.00 N ATOM 511 CA MET A 36 35.389 4.437 24.272 1.00 1.00 C ATOM 512 C MET A 36 35.355 4.062 25.750 1.00 1.00 C ATOM 513 O MET A 36 34.642 4.679 26.540 1.00 1.00 O ATOM 514 CB MET A 36 34.397 3.567 23.498 1.00 1.00 C ATOM 515 CG MET A 36 34.216 4.134 22.090 1.00 1.00 C ATOM 516 SD MET A 36 33.657 2.821 20.976 1.00 1.00 S ATOM 517 CE MET A 36 34.337 3.515 19.450 1.00 1.00 C ATOM 0 H MET A 36 36.863 3.409 23.189 1.00 1.00 H new ATOM 0 HA MET A 36 35.109 5.485 24.170 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.761 2.541 23.445 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.439 3.539 24.017 1.00 1.00 H new ATOM 0 HG2 MET A 36 33.490 4.947 22.105 1.00 1.00 H new ATOM 0 HG3 MET A 36 35.156 4.553 21.732 1.00 1.00 H new ATOM 0 HE1 MET A 36 33.569 3.514 18.676 1.00 1.00 H new ATOM 0 HE2 MET A 36 34.668 4.538 19.631 1.00 1.00 H new ATOM 0 HE3 MET A 36 35.184 2.912 19.122 1.00 1.00 H new ATOM 527 N LEU A 37 36.130 3.047 26.117 1.00 1.00 N ATOM 528 CA LEU A 37 36.179 2.603 27.505 1.00 1.00 C ATOM 529 C LEU A 37 36.540 3.768 28.421 1.00 1.00 C ATOM 530 O LEU A 37 36.510 3.639 29.645 1.00 1.00 O ATOM 531 CB LEU A 37 37.217 1.486 27.661 1.00 1.00 C ATOM 532 CG LEU A 37 36.517 0.125 27.751 1.00 1.00 C ATOM 533 CD1 LEU A 37 35.729 0.026 29.061 1.00 1.00 C ATOM 534 CD2 LEU A 37 35.559 -0.038 26.568 1.00 1.00 C ATOM 0 H LEU A 37 36.727 2.521 25.480 1.00 1.00 H new ATOM 0 HA LEU A 37 35.196 2.224 27.784 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.903 1.496 26.814 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.814 1.656 28.557 1.00 1.00 H new ATOM 0 HG LEU A 37 37.269 -0.664 27.725 1.00 1.00 H new ATOM 0 HD11 LEU A 37 35.235 -0.944 29.116 1.00 1.00 H new ATOM 0 HD12 LEU A 37 36.411 0.135 29.905 1.00 1.00 H new ATOM 0 HD13 LEU A 37 34.980 0.817 29.096 1.00 1.00 H new ATOM 0 HD21 LEU A 37 35.062 -1.006 26.633 1.00 1.00 H new ATOM 0 HD22 LEU A 37 34.812 0.756 26.592 1.00 1.00 H new ATOM 0 HD23 LEU A 37 36.120 0.020 25.635 1.00 1.00 H new ATOM 546 N VAL A 38 36.883 4.903 27.817 1.00 1.00 N ATOM 547 CA VAL A 38 37.250 6.089 28.580 1.00 1.00 C ATOM 548 C VAL A 38 36.479 7.307 28.076 1.00 1.00 C ATOM 549 O VAL A 38 36.893 8.447 28.290 1.00 1.00 O ATOM 550 CB VAL A 38 38.751 6.343 28.448 1.00 1.00 C ATOM 551 CG1 VAL A 38 39.225 7.262 29.576 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.500 5.010 28.530 1.00 1.00 C ATOM 0 H VAL A 38 36.914 5.025 26.805 1.00 1.00 H new ATOM 0 HA VAL A 38 36.999 5.922 29.627 1.00 1.00 H new ATOM 0 HB VAL A 38 38.952 6.820 27.489 1.00 1.00 H new ATOM 0 HG11 VAL A 38 40.296 7.439 29.476 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.694 8.212 29.519 1.00 1.00 H new ATOM 0 HG13 VAL A 38 39.024 6.791 30.538 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.571 5.188 28.436 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.294 4.535 29.489 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.169 4.356 27.723 1.00 1.00 H new ATOM 562 N PHE A 39 35.358 7.054 27.405 1.00 1.00 N ATOM 563 CA PHE A 39 34.531 8.131 26.871 1.00 1.00 C ATOM 564 C PHE A 39 33.088 7.979 27.336 1.00 1.00 C ATOM 565 O PHE A 39 32.407 8.966 27.610 1.00 1.00 O ATOM 566 CB PHE A 39 34.581 8.119 25.342 1.00 1.00 C ATOM 567 CG PHE A 39 34.247 9.495 24.817 1.00 1.00 C ATOM 568 CD1 PHE A 39 35.182 10.531 24.925 1.00 1.00 C ATOM 569 CD2 PHE A 39 33.001 9.735 24.225 1.00 1.00 C ATOM 570 CE1 PHE A 39 34.872 11.807 24.439 1.00 1.00 C ATOM 571 CE2 PHE A 39 32.691 11.010 23.739 1.00 1.00 C ATOM 572 CZ PHE A 39 33.627 12.047 23.847 1.00 1.00 C ATOM 0 H PHE A 39 35.003 6.116 27.219 1.00 1.00 H new ATOM 0 HA PHE A 39 34.921 9.080 27.239 1.00 1.00 H new ATOM 0 HB2 PHE A 39 35.572 7.819 25.002 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.875 7.387 24.950 1.00 1.00 H new ATOM 0 HD1 PHE A 39 36.142 10.346 25.383 1.00 1.00 H new ATOM 0 HD2 PHE A 39 32.279 8.936 24.143 1.00 1.00 H new ATOM 0 HE1 PHE A 39 35.594 12.606 24.521 1.00 1.00 H new ATOM 0 HE2 PHE A 39 31.731 11.195 23.281 1.00 1.00 H new ATOM 0 HZ PHE A 39 33.388 13.032 23.473 1.00 1.00 H new ATOM 582 N LEU A 40 32.625 6.735 27.423 1.00 1.00 N ATOM 583 CA LEU A 40 31.258 6.470 27.857 1.00 1.00 C ATOM 584 C LEU A 40 31.120 6.694 29.359 1.00 1.00 C ATOM 585 O LEU A 40 30.028 6.972 29.857 1.00 1.00 O ATOM 586 CB LEU A 40 30.863 5.031 27.512 1.00 1.00 C ATOM 587 CG LEU A 40 31.828 4.054 28.187 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.156 3.434 29.414 1.00 1.00 C ATOM 589 CD2 LEU A 40 32.198 2.944 27.200 1.00 1.00 C ATOM 0 H LEU A 40 33.171 5.902 27.201 1.00 1.00 H new ATOM 0 HA LEU A 40 30.594 7.159 27.336 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.843 4.835 27.842 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.882 4.888 26.432 1.00 1.00 H new ATOM 0 HG LEU A 40 32.727 4.588 28.495 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.845 2.738 29.893 1.00 1.00 H new ATOM 0 HD12 LEU A 40 30.887 4.221 30.118 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.257 2.900 29.106 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.886 2.246 27.678 1.00 1.00 H new ATOM 0 HD22 LEU A 40 31.296 2.413 26.895 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.676 3.381 26.323 1.00 1.00 H new ATOM 601 N LEU A 41 32.233 6.575 30.077 1.00 1.00 N ATOM 602 CA LEU A 41 32.220 6.770 31.523 1.00 1.00 C ATOM 603 C LEU A 41 32.411 8.246 31.861 1.00 1.00 C ATOM 604 O LEU A 41 31.981 8.711 32.916 1.00 1.00 O ATOM 605 CB LEU A 41 33.324 5.921 32.172 1.00 1.00 C ATOM 606 CG LEU A 41 34.657 6.692 32.190 1.00 1.00 C ATOM 607 CD1 LEU A 41 34.743 7.627 33.408 1.00 1.00 C ATOM 608 CD2 LEU A 41 35.812 5.689 32.255 1.00 1.00 C ATOM 0 H LEU A 41 33.147 6.347 29.686 1.00 1.00 H new ATOM 0 HA LEU A 41 31.254 6.452 31.916 1.00 1.00 H new ATOM 0 HB2 LEU A 41 33.037 5.656 33.190 1.00 1.00 H new ATOM 0 HB3 LEU A 41 33.444 4.988 31.622 1.00 1.00 H new ATOM 0 HG LEU A 41 34.718 7.295 31.284 1.00 1.00 H new ATOM 0 HD11 LEU A 41 35.695 8.157 33.393 1.00 1.00 H new ATOM 0 HD12 LEU A 41 33.926 8.347 33.372 1.00 1.00 H new ATOM 0 HD13 LEU A 41 34.669 7.040 34.323 1.00 1.00 H new ATOM 0 HD21 LEU A 41 36.760 6.226 32.268 1.00 1.00 H new ATOM 0 HD22 LEU A 41 35.722 5.089 33.161 1.00 1.00 H new ATOM 0 HD23 LEU A 41 35.777 5.037 31.383 1.00 1.00 H new ATOM 620 N GLY A 42 33.057 8.975 30.956 1.00 1.00 N ATOM 621 CA GLY A 42 33.298 10.397 31.168 1.00 1.00 C ATOM 622 C GLY A 42 32.069 11.221 30.801 1.00 1.00 C ATOM 623 O GLY A 42 31.883 12.331 31.298 1.00 1.00 O ATOM 0 H GLY A 42 33.420 8.608 30.076 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.560 10.573 32.211 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.149 10.719 30.567 1.00 1.00 H new ATOM 627 N THR A 43 31.232 10.670 29.928 1.00 1.00 N ATOM 628 CA THR A 43 30.023 11.364 29.501 1.00 1.00 C ATOM 629 C THR A 43 29.139 10.442 28.667 1.00 1.00 C ATOM 630 O THR A 43 28.897 9.294 29.040 1.00 1.00 O ATOM 631 CB THR A 43 30.393 12.601 28.680 1.00 1.00 C ATOM 632 OG1 THR A 43 29.207 13.266 28.268 1.00 1.00 O ATOM 633 CG2 THR A 43 31.195 12.176 27.449 1.00 1.00 C ATOM 0 H THR A 43 31.367 9.752 29.505 1.00 1.00 H new ATOM 0 HA THR A 43 29.470 11.670 30.389 1.00 1.00 H new ATOM 0 HB THR A 43 30.995 13.275 29.289 1.00 1.00 H new ATOM 0 HG1 THR A 43 29.442 14.060 27.743 1.00 1.00 H new ATOM 0 HG21 THR A 43 31.458 13.057 26.864 1.00 1.00 H new ATOM 0 HG22 THR A 43 32.104 11.665 27.766 1.00 1.00 H new ATOM 0 HG23 THR A 43 30.594 11.502 26.838 1.00 1.00 H new ATOM 641 N THR A 44 28.662 10.953 27.537 1.00 1.00 N ATOM 642 CA THR A 44 27.806 10.165 26.656 1.00 1.00 C ATOM 643 C THR A 44 26.511 9.785 27.368 1.00 1.00 C ATOM 644 O THR A 44 25.442 10.311 27.055 1.00 1.00 O ATOM 645 CB THR A 44 28.537 8.898 26.212 1.00 1.00 C ATOM 646 OG1 THR A 44 29.889 9.214 25.911 1.00 1.00 O ATOM 647 CG2 THR A 44 27.857 8.324 24.967 1.00 1.00 C ATOM 0 H THR A 44 28.851 11.901 27.211 1.00 1.00 H new ATOM 0 HA THR A 44 27.564 10.768 25.781 1.00 1.00 H new ATOM 0 HB THR A 44 28.505 8.160 27.014 1.00 1.00 H new ATOM 0 HG1 THR A 44 30.056 9.061 24.958 1.00 1.00 H new ATOM 0 HG21 THR A 44 28.379 7.421 24.651 1.00 1.00 H new ATOM 0 HG22 THR A 44 26.820 8.082 25.198 1.00 1.00 H new ATOM 0 HG23 THR A 44 27.887 9.060 24.164 1.00 1.00 H new ATOM 655 N GLY A 45 26.615 8.871 28.326 1.00 1.00 N ATOM 656 CA GLY A 45 25.445 8.428 29.076 1.00 1.00 C ATOM 657 C GLY A 45 25.419 9.055 30.465 1.00 1.00 C ATOM 658 O GLY A 45 24.716 8.582 31.359 1.00 1.00 O ATOM 0 H GLY A 45 27.490 8.425 28.601 1.00 1.00 H new ATOM 0 HA2 GLY A 45 24.538 8.697 28.534 1.00 1.00 H new ATOM 0 HA3 GLY A 45 25.454 7.342 29.163 1.00 1.00 H new ATOM 662 N ASN A 46 26.189 10.124 30.641 1.00 1.00 N ATOM 663 CA ASN A 46 26.246 10.810 31.926 1.00 1.00 C ATOM 664 C ASN A 46 26.259 12.322 31.726 1.00 1.00 C ATOM 665 O ASN A 46 27.322 12.939 31.648 1.00 1.00 O ATOM 666 CB ASN A 46 27.502 10.384 32.690 1.00 1.00 C ATOM 667 CG ASN A 46 27.722 8.883 32.533 1.00 1.00 C ATOM 668 OD1 ASN A 46 27.376 8.107 33.423 1.00 1.00 O ATOM 669 ND2 ASN A 46 28.283 8.426 31.446 1.00 1.00 N ATOM 0 H ASN A 46 26.778 10.532 29.915 1.00 1.00 H new ATOM 0 HA ASN A 46 25.361 10.538 32.501 1.00 1.00 H new ATOM 0 HB2 ASN A 46 28.369 10.928 32.315 1.00 1.00 H new ATOM 0 HB3 ASN A 46 27.399 10.637 33.745 1.00 1.00 H new ATOM 0 HD21 ASN A 46 28.435 7.424 31.333 1.00 1.00 H new ATOM 0 HD22 ASN A 46 28.569 9.071 30.710 1.00 1.00 H new ATOM 676 N GLY A 47 25.071 12.913 31.646 1.00 1.00 N ATOM 677 CA GLY A 47 24.957 14.354 31.455 1.00 1.00 C ATOM 678 C GLY A 47 23.611 14.718 30.837 1.00 1.00 C ATOM 679 O GLY A 47 23.169 15.863 30.921 1.00 1.00 O ATOM 0 H GLY A 47 24.180 12.421 31.710 1.00 1.00 H new ATOM 0 HA2 GLY A 47 25.071 14.862 32.413 1.00 1.00 H new ATOM 0 HA3 GLY A 47 25.764 14.704 30.811 1.00 1.00 H new ATOM 683 N LEU A 48 22.966 13.735 30.219 1.00 1.00 N ATOM 684 CA LEU A 48 21.669 13.963 29.590 1.00 1.00 C ATOM 685 C LEU A 48 20.725 12.799 29.873 1.00 1.00 C ATOM 686 O LEU A 48 19.513 12.911 29.688 1.00 1.00 O ATOM 687 CB LEU A 48 21.843 14.127 28.079 1.00 1.00 C ATOM 688 CG LEU A 48 21.448 15.546 27.668 1.00 1.00 C ATOM 689 CD1 LEU A 48 21.769 15.758 26.188 1.00 1.00 C ATOM 690 CD2 LEU A 48 19.947 15.742 27.895 1.00 1.00 C ATOM 0 H LEU A 48 23.316 12.780 30.140 1.00 1.00 H new ATOM 0 HA LEU A 48 21.239 14.874 30.006 1.00 1.00 H new ATOM 0 HB2 LEU A 48 22.878 13.931 27.799 1.00 1.00 H new ATOM 0 HB3 LEU A 48 21.227 13.400 27.551 1.00 1.00 H new ATOM 0 HG LEU A 48 22.006 16.266 28.267 1.00 1.00 H new ATOM 0 HD11 LEU A 48 21.487 16.770 25.896 1.00 1.00 H new ATOM 0 HD12 LEU A 48 22.837 15.617 26.024 1.00 1.00 H new ATOM 0 HD13 LEU A 48 21.212 15.039 25.588 1.00 1.00 H new ATOM 0 HD21 LEU A 48 19.664 16.753 27.603 1.00 1.00 H new ATOM 0 HD22 LEU A 48 19.391 15.022 27.295 1.00 1.00 H new ATOM 0 HD23 LEU A 48 19.716 15.591 28.949 1.00 1.00 H new ATOM 702 N VAL A 49 21.288 11.682 30.321 1.00 1.00 N ATOM 703 CA VAL A 49 20.486 10.503 30.626 1.00 1.00 C ATOM 704 C VAL A 49 19.671 10.723 31.896 1.00 1.00 C ATOM 705 O VAL A 49 18.623 10.106 32.088 1.00 1.00 O ATOM 706 CB VAL A 49 21.394 9.285 30.805 1.00 1.00 C ATOM 707 CG1 VAL A 49 20.606 8.152 31.464 1.00 1.00 C ATOM 708 CG2 VAL A 49 21.901 8.823 29.437 1.00 1.00 C ATOM 0 H VAL A 49 22.289 11.568 30.480 1.00 1.00 H new ATOM 0 HA VAL A 49 19.803 10.327 29.795 1.00 1.00 H new ATOM 0 HB VAL A 49 22.241 9.553 31.437 1.00 1.00 H new ATOM 0 HG11 VAL A 49 21.254 7.284 31.591 1.00 1.00 H new ATOM 0 HG12 VAL A 49 20.243 8.480 32.438 1.00 1.00 H new ATOM 0 HG13 VAL A 49 19.759 7.883 30.833 1.00 1.00 H new ATOM 0 HG21 VAL A 49 22.548 7.955 29.563 1.00 1.00 H new ATOM 0 HG22 VAL A 49 21.053 8.555 28.806 1.00 1.00 H new ATOM 0 HG23 VAL A 49 22.463 9.629 28.966 1.00 1.00 H new ATOM 718 N LEU A 50 20.158 11.607 32.760 1.00 1.00 N ATOM 719 CA LEU A 50 19.463 11.900 34.009 1.00 1.00 C ATOM 720 C LEU A 50 18.608 13.154 33.863 1.00 1.00 C ATOM 721 O LEU A 50 18.001 13.619 34.829 1.00 1.00 O ATOM 722 CB LEU A 50 20.473 12.096 35.144 1.00 1.00 C ATOM 723 CG LEU A 50 21.742 12.761 34.603 1.00 1.00 C ATOM 724 CD1 LEU A 50 21.380 14.080 33.918 1.00 1.00 C ATOM 725 CD2 LEU A 50 22.702 13.040 35.762 1.00 1.00 C ATOM 0 H LEU A 50 21.023 12.129 32.621 1.00 1.00 H new ATOM 0 HA LEU A 50 18.816 11.056 34.246 1.00 1.00 H new ATOM 0 HB2 LEU A 50 20.036 12.712 35.929 1.00 1.00 H new ATOM 0 HB3 LEU A 50 20.719 11.134 35.594 1.00 1.00 H new ATOM 0 HG LEU A 50 22.219 12.097 33.882 1.00 1.00 H new ATOM 0 HD11 LEU A 50 22.285 14.551 33.534 1.00 1.00 H new ATOM 0 HD12 LEU A 50 20.694 13.886 33.093 1.00 1.00 H new ATOM 0 HD13 LEU A 50 20.902 14.745 34.638 1.00 1.00 H new ATOM 0 HD21 LEU A 50 23.606 13.513 35.380 1.00 1.00 H new ATOM 0 HD22 LEU A 50 22.221 13.703 36.481 1.00 1.00 H new ATOM 0 HD23 LEU A 50 22.963 12.102 36.252 1.00 1.00 H new ATOM 737 N TRP A 51 18.562 13.696 32.651 1.00 1.00 N ATOM 738 CA TRP A 51 17.775 14.895 32.390 1.00 1.00 C ATOM 739 C TRP A 51 16.355 14.521 31.980 1.00 1.00 C ATOM 740 O TRP A 51 15.401 15.239 32.284 1.00 1.00 O ATOM 741 CB TRP A 51 18.430 15.717 31.278 1.00 1.00 C ATOM 742 CG TRP A 51 17.372 16.422 30.490 1.00 1.00 C ATOM 743 CD1 TRP A 51 16.678 15.880 29.463 1.00 1.00 C ATOM 744 CD2 TRP A 51 16.877 17.784 30.646 1.00 1.00 C ATOM 745 NE1 TRP A 51 15.789 16.822 28.978 1.00 1.00 N ATOM 746 CE2 TRP A 51 15.873 18.012 29.674 1.00 1.00 C ATOM 747 CE3 TRP A 51 17.198 18.833 31.526 1.00 1.00 C ATOM 748 CZ2 TRP A 51 15.212 19.236 29.579 1.00 1.00 C ATOM 749 CZ3 TRP A 51 16.534 20.066 31.434 1.00 1.00 C ATOM 750 CH2 TRP A 51 15.543 20.268 30.463 1.00 1.00 C ATOM 0 H TRP A 51 19.057 13.327 31.839 1.00 1.00 H new ATOM 0 HA TRP A 51 17.734 15.488 33.303 1.00 1.00 H new ATOM 0 HB2 TRP A 51 19.123 16.441 31.706 1.00 1.00 H new ATOM 0 HB3 TRP A 51 19.012 15.067 30.625 1.00 1.00 H new ATOM 0 HD1 TRP A 51 16.798 14.876 29.084 1.00 1.00 H new ATOM 0 HE1 TRP A 51 15.149 16.658 28.201 1.00 1.00 H new ATOM 0 HE3 TRP A 51 17.960 18.689 32.277 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 14.450 19.386 28.828 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 16.788 20.864 32.116 1.00 1.00 H new ATOM 0 HH2 TRP A 51 15.036 21.219 30.398 1.00 1.00 H new ATOM 761 N THR A 52 16.222 13.394 31.290 1.00 1.00 N ATOM 762 CA THR A 52 14.913 12.931 30.845 1.00 1.00 C ATOM 763 C THR A 52 14.129 12.340 32.013 1.00 1.00 C ATOM 764 O THR A 52 12.900 12.396 32.039 1.00 1.00 O ATOM 765 CB THR A 52 15.077 11.874 29.750 1.00 1.00 C ATOM 766 OG1 THR A 52 15.306 12.518 28.504 1.00 1.00 O ATOM 767 CG2 THR A 52 13.810 11.024 29.663 1.00 1.00 C ATOM 0 H THR A 52 16.999 12.787 31.028 1.00 1.00 H new ATOM 0 HA THR A 52 14.362 13.783 30.447 1.00 1.00 H new ATOM 0 HB THR A 52 15.925 11.232 29.989 1.00 1.00 H new ATOM 0 HG1 THR A 52 15.413 11.843 27.802 1.00 1.00 H new ATOM 0 HG21 THR A 52 13.929 10.272 28.883 1.00 1.00 H new ATOM 0 HG22 THR A 52 13.637 10.530 30.619 1.00 1.00 H new ATOM 0 HG23 THR A 52 12.959 11.662 29.425 1.00 1.00 H new ATOM 775 N VAL A 53 14.851 11.775 32.976 1.00 1.00 N ATOM 776 CA VAL A 53 14.213 11.176 34.143 1.00 1.00 C ATOM 777 C VAL A 53 13.531 12.246 34.989 1.00 1.00 C ATOM 778 O VAL A 53 12.413 12.055 35.466 1.00 1.00 O ATOM 779 CB VAL A 53 15.258 10.444 34.989 1.00 1.00 C ATOM 780 CG1 VAL A 53 14.598 9.905 36.259 1.00 1.00 C ATOM 781 CG2 VAL A 53 15.840 9.280 34.183 1.00 1.00 C ATOM 0 H VAL A 53 15.869 11.719 32.972 1.00 1.00 H new ATOM 0 HA VAL A 53 13.460 10.467 33.799 1.00 1.00 H new ATOM 0 HB VAL A 53 16.057 11.135 35.260 1.00 1.00 H new ATOM 0 HG11 VAL A 53 15.341 9.384 36.862 1.00 1.00 H new ATOM 0 HG12 VAL A 53 14.182 10.733 36.832 1.00 1.00 H new ATOM 0 HG13 VAL A 53 13.800 9.213 35.989 1.00 1.00 H new ATOM 0 HG21 VAL A 53 16.584 8.758 34.784 1.00 1.00 H new ATOM 0 HG22 VAL A 53 15.041 8.589 33.913 1.00 1.00 H new ATOM 0 HG23 VAL A 53 16.309 9.663 33.277 1.00 1.00 H new ATOM 791 N PHE A 54 14.213 13.372 35.171 1.00 1.00 N ATOM 792 CA PHE A 54 13.664 14.468 35.961 1.00 1.00 C ATOM 793 C PHE A 54 12.479 15.106 35.245 1.00 1.00 C ATOM 794 O PHE A 54 11.549 15.600 35.882 1.00 1.00 O ATOM 795 CB PHE A 54 14.744 15.523 36.208 1.00 1.00 C ATOM 796 CG PHE A 54 14.151 16.900 36.031 1.00 1.00 C ATOM 797 CD1 PHE A 54 13.286 17.420 37.002 1.00 1.00 C ATOM 798 CD2 PHE A 54 14.465 17.658 34.897 1.00 1.00 C ATOM 799 CE1 PHE A 54 12.735 18.697 36.838 1.00 1.00 C ATOM 800 CE2 PHE A 54 13.915 18.935 34.733 1.00 1.00 C ATOM 801 CZ PHE A 54 13.050 19.454 35.703 1.00 1.00 C ATOM 0 H PHE A 54 15.140 13.549 34.785 1.00 1.00 H new ATOM 0 HA PHE A 54 13.321 14.068 36.915 1.00 1.00 H new ATOM 0 HB2 PHE A 54 15.149 15.416 37.214 1.00 1.00 H new ATOM 0 HB3 PHE A 54 15.573 15.380 35.514 1.00 1.00 H new ATOM 0 HD1 PHE A 54 13.044 16.836 37.878 1.00 1.00 H new ATOM 0 HD2 PHE A 54 15.132 17.257 34.148 1.00 1.00 H new ATOM 0 HE1 PHE A 54 12.068 19.098 37.587 1.00 1.00 H new ATOM 0 HE2 PHE A 54 14.158 19.519 33.858 1.00 1.00 H new ATOM 0 HZ PHE A 54 12.625 20.439 35.576 1.00 1.00 H new ATOM 811 N ARG A 55 12.520 15.094 33.916 1.00 1.00 N ATOM 812 CA ARG A 55 11.444 15.676 33.123 1.00 1.00 C ATOM 813 C ARG A 55 10.138 14.924 33.357 1.00 1.00 C ATOM 814 O ARG A 55 9.149 15.502 33.808 1.00 1.00 O ATOM 815 CB ARG A 55 11.805 15.626 31.637 1.00 1.00 C ATOM 816 CG ARG A 55 12.034 17.047 31.118 1.00 1.00 C ATOM 817 CD ARG A 55 10.710 17.813 31.115 1.00 1.00 C ATOM 818 NE ARG A 55 10.848 19.062 31.856 1.00 1.00 N ATOM 819 CZ ARG A 55 11.341 20.152 31.277 1.00 1.00 C ATOM 820 NH1 ARG A 55 11.710 20.118 30.026 1.00 1.00 N ATOM 821 NH2 ARG A 55 11.455 21.258 31.961 1.00 1.00 N ATOM 0 H ARG A 55 13.281 14.691 33.369 1.00 1.00 H new ATOM 0 HA ARG A 55 11.312 16.713 33.430 1.00 1.00 H new ATOM 0 HB2 ARG A 55 12.702 15.025 31.490 1.00 1.00 H new ATOM 0 HB3 ARG A 55 11.005 15.146 31.074 1.00 1.00 H new ATOM 0 HG2 ARG A 55 12.762 17.561 31.746 1.00 1.00 H new ATOM 0 HG3 ARG A 55 12.449 17.014 30.111 1.00 1.00 H new ATOM 0 HD2 ARG A 55 10.405 18.022 30.090 1.00 1.00 H new ATOM 0 HD3 ARG A 55 9.927 17.201 31.562 1.00 1.00 H new ATOM 0 HE ARG A 55 10.562 19.099 32.834 1.00 1.00 H new ATOM 0 HH11 ARG A 55 11.620 19.254 29.491 1.00 1.00 H new ATOM 0 HH12 ARG A 55 12.088 20.955 29.583 1.00 1.00 H new ATOM 0 HH21 ARG A 55 11.166 21.285 32.939 1.00 1.00 H new ATOM 0 HH22 ARG A 55 11.833 22.095 31.518 1.00 1.00 H new ATOM 835 N LYS A 56 10.142 13.630 33.049 1.00 1.00 N ATOM 836 CA LYS A 56 8.952 12.808 33.230 1.00 1.00 C ATOM 837 C LYS A 56 8.357 13.024 34.618 1.00 1.00 C ATOM 838 O LYS A 56 7.167 13.305 34.757 1.00 1.00 O ATOM 839 CB LYS A 56 9.305 11.331 33.049 1.00 1.00 C ATOM 840 CG LYS A 56 10.032 11.139 31.717 1.00 1.00 C ATOM 841 CD LYS A 56 9.370 10.005 30.932 1.00 1.00 C ATOM 842 CE LYS A 56 10.234 9.650 29.721 1.00 1.00 C ATOM 843 NZ LYS A 56 9.508 8.672 28.862 1.00 1.00 N ATOM 0 H LYS A 56 10.950 13.132 32.676 1.00 1.00 H new ATOM 0 HA LYS A 56 8.215 13.100 32.482 1.00 1.00 H new ATOM 0 HB2 LYS A 56 9.936 10.994 33.871 1.00 1.00 H new ATOM 0 HB3 LYS A 56 8.400 10.724 33.072 1.00 1.00 H new ATOM 0 HG2 LYS A 56 10.002 12.062 31.138 1.00 1.00 H new ATOM 0 HG3 LYS A 56 11.082 10.908 31.894 1.00 1.00 H new ATOM 0 HD2 LYS A 56 9.245 9.131 31.571 1.00 1.00 H new ATOM 0 HD3 LYS A 56 8.375 10.307 30.606 1.00 1.00 H new ATOM 0 HE2 LYS A 56 10.466 10.549 29.150 1.00 1.00 H new ATOM 0 HE3 LYS A 56 11.183 9.227 30.050 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 10.095 8.430 28.038 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 9.308 7.811 29.409 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 8.613 9.092 28.538 1.00 1.00 H new ATOM 857 N LYS A 57 9.194 12.892 35.642 1.00 1.00 N ATOM 858 CA LYS A 57 8.740 13.075 37.015 1.00 1.00 C ATOM 859 C LYS A 57 8.488 14.552 37.305 1.00 1.00 C ATOM 860 O LYS A 57 9.140 15.147 38.162 1.00 1.00 O ATOM 861 CB LYS A 57 9.790 12.535 37.989 1.00 1.00 C ATOM 862 CG LYS A 57 9.799 11.006 37.934 1.00 1.00 C ATOM 863 CD LYS A 57 11.210 10.494 38.230 1.00 1.00 C ATOM 864 CE LYS A 57 11.207 8.964 38.231 1.00 1.00 C ATOM 865 NZ LYS A 57 10.909 8.466 36.858 1.00 1.00 N ATOM 0 H LYS A 57 10.183 12.661 35.548 1.00 1.00 H new ATOM 0 HA LYS A 57 7.807 12.526 37.145 1.00 1.00 H new ATOM 0 HB2 LYS A 57 10.775 12.925 37.731 1.00 1.00 H new ATOM 0 HB3 LYS A 57 9.569 12.872 39.002 1.00 1.00 H new ATOM 0 HG2 LYS A 57 9.094 10.601 38.660 1.00 1.00 H new ATOM 0 HG3 LYS A 57 9.475 10.665 36.951 1.00 1.00 H new ATOM 0 HD2 LYS A 57 11.908 10.867 37.481 1.00 1.00 H new ATOM 0 HD3 LYS A 57 11.549 10.868 39.196 1.00 1.00 H new ATOM 0 HE2 LYS A 57 12.175 8.588 38.563 1.00 1.00 H new ATOM 0 HE3 LYS A 57 10.462 8.592 38.934 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 11.184 7.466 36.784 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 9.891 8.560 36.668 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 11.444 9.024 36.162 1.00 1.00 H new ATOM 879 N GLY A 58 7.536 15.136 36.583 1.00 1.00 N ATOM 880 CA GLY A 58 7.206 16.544 36.771 1.00 1.00 C ATOM 881 C GLY A 58 5.947 16.700 37.617 1.00 1.00 C ATOM 882 O GLY A 58 4.836 16.749 37.091 1.00 1.00 O ATOM 0 H GLY A 58 6.984 14.661 35.869 1.00 1.00 H new ATOM 0 HA2 GLY A 58 8.039 17.055 37.254 1.00 1.00 H new ATOM 0 HA3 GLY A 58 7.059 17.020 35.801 1.00 1.00 H new ATOM 886 N HIS A 59 6.132 16.779 38.932 1.00 1.00 N ATOM 887 CA HIS A 59 5.002 16.930 39.842 1.00 1.00 C ATOM 888 C HIS A 59 4.812 18.395 40.222 1.00 1.00 C ATOM 889 O HIS A 59 3.778 18.994 39.927 1.00 1.00 O ATOM 890 CB HIS A 59 5.236 16.099 41.105 1.00 1.00 C ATOM 891 CG HIS A 59 4.528 14.778 40.975 1.00 1.00 C ATOM 892 ND1 HIS A 59 3.153 14.661 41.099 1.00 1.00 N ATOM 893 CD2 HIS A 59 4.992 13.509 40.731 1.00 1.00 C ATOM 894 CE1 HIS A 59 2.839 13.363 40.931 1.00 1.00 C ATOM 895 NE2 HIS A 59 3.924 12.617 40.704 1.00 1.00 N ATOM 0 H HIS A 59 7.044 16.741 39.387 1.00 1.00 H new ATOM 0 HA HIS A 59 4.102 16.579 39.337 1.00 1.00 H new ATOM 0 HB2 HIS A 59 6.304 15.938 41.255 1.00 1.00 H new ATOM 0 HB3 HIS A 59 4.869 16.636 41.980 1.00 1.00 H new ATOM 0 HD2 HIS A 59 6.028 13.243 40.583 1.00 1.00 H new ATOM 0 HE1 HIS A 59 1.833 12.972 40.974 1.00 1.00 H new ATOM 0 HE2 HIS A 59 3.962 11.610 40.545 1.00 1.00 H new ATOM 903 N HIS A 60 5.817 18.966 40.878 1.00 1.00 N ATOM 904 CA HIS A 60 5.749 20.362 41.294 1.00 1.00 C ATOM 905 C HIS A 60 4.366 20.690 41.848 1.00 1.00 C ATOM 906 O HIS A 60 3.565 21.352 41.189 1.00 1.00 O ATOM 907 CB HIS A 60 6.055 21.276 40.107 1.00 1.00 C ATOM 908 CG HIS A 60 6.139 22.701 40.578 1.00 1.00 C ATOM 909 ND1 HIS A 60 5.024 23.401 41.014 1.00 1.00 N ATOM 910 CD2 HIS A 60 7.195 23.572 40.689 1.00 1.00 C ATOM 911 CE1 HIS A 60 5.431 24.636 41.363 1.00 1.00 C ATOM 912 NE2 HIS A 60 6.745 24.792 41.185 1.00 1.00 N ATOM 0 H HIS A 60 6.682 18.488 41.131 1.00 1.00 H new ATOM 0 HA HIS A 60 6.489 20.524 42.078 1.00 1.00 H new ATOM 0 HB2 HIS A 60 6.995 20.981 39.640 1.00 1.00 H new ATOM 0 HB3 HIS A 60 5.278 21.178 39.349 1.00 1.00 H new ATOM 0 HD1 HIS A 60 4.069 23.045 41.062 1.00 1.00 H new ATOM 0 HD2 HIS A 60 8.219 23.345 40.431 1.00 1.00 H new ATOM 0 HE1 HIS A 60 4.775 25.406 41.741 1.00 1.00 H new ATOM 920 N HIS A 61 4.095 20.222 43.062 1.00 1.00 N ATOM 921 CA HIS A 61 2.805 20.472 43.695 1.00 1.00 C ATOM 922 C HIS A 61 2.835 21.784 44.474 1.00 1.00 C ATOM 923 O HIS A 61 3.653 21.961 45.376 1.00 1.00 O ATOM 924 CB HIS A 61 2.456 19.322 44.641 1.00 1.00 C ATOM 925 CG HIS A 61 3.638 19.020 45.521 1.00 1.00 C ATOM 926 ND1 HIS A 61 4.002 19.841 46.576 1.00 1.00 N ATOM 927 CD2 HIS A 61 4.548 17.991 45.515 1.00 1.00 C ATOM 928 CE1 HIS A 61 5.089 19.298 47.157 1.00 1.00 C ATOM 929 NE2 HIS A 61 5.462 18.169 46.549 1.00 1.00 N ATOM 0 H HIS A 61 4.745 19.672 43.623 1.00 1.00 H new ATOM 0 HA HIS A 61 2.047 20.543 42.915 1.00 1.00 H new ATOM 0 HB2 HIS A 61 1.593 19.588 45.252 1.00 1.00 H new ATOM 0 HB3 HIS A 61 2.180 18.437 44.068 1.00 1.00 H new ATOM 0 HD1 HIS A 61 3.532 20.700 46.861 1.00 1.00 H new ATOM 0 HD2 HIS A 61 4.553 17.169 44.814 1.00 1.00 H new ATOM 0 HE1 HIS A 61 5.597 19.723 48.010 1.00 1.00 H new ATOM 937 N HIS A 62 1.939 22.698 44.118 1.00 1.00 N ATOM 938 CA HIS A 62 1.872 23.990 44.791 1.00 1.00 C ATOM 939 C HIS A 62 1.677 23.802 46.292 1.00 1.00 C ATOM 940 O HIS A 62 0.956 22.906 46.727 1.00 1.00 O ATOM 941 CB HIS A 62 0.716 24.816 44.223 1.00 1.00 C ATOM 942 CG HIS A 62 -0.524 24.569 45.038 1.00 1.00 C ATOM 943 ND1 HIS A 62 -1.205 25.595 45.674 1.00 1.00 N ATOM 944 CD2 HIS A 62 -1.217 23.421 45.330 1.00 1.00 C ATOM 945 CE1 HIS A 62 -2.257 25.049 46.312 1.00 1.00 C ATOM 946 NE2 HIS A 62 -2.311 23.726 46.135 1.00 1.00 N ATOM 0 H HIS A 62 1.254 22.570 43.373 1.00 1.00 H new ATOM 0 HA HIS A 62 2.811 24.516 44.621 1.00 1.00 H new ATOM 0 HB2 HIS A 62 0.970 25.876 44.239 1.00 1.00 H new ATOM 0 HB3 HIS A 62 0.539 24.546 43.182 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -0.954 22.431 44.987 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -2.970 25.612 46.896 1.00 1.00 H new ATOM 0 HE2 HIS A 62 -3.005 23.079 46.509 1.00 1.00 H new ATOM 954 N HIS A 63 2.325 24.656 47.079 1.00 1.00 N ATOM 955 CA HIS A 63 2.217 24.575 48.529 1.00 1.00 C ATOM 956 C HIS A 63 2.715 25.863 49.177 1.00 1.00 C ATOM 957 O HIS A 63 3.916 26.043 49.377 1.00 1.00 O ATOM 958 CB HIS A 63 3.032 23.390 49.049 1.00 1.00 C ATOM 959 CG HIS A 63 3.412 23.633 50.483 1.00 1.00 C ATOM 960 ND1 HIS A 63 4.649 23.269 50.992 1.00 1.00 N ATOM 961 CD2 HIS A 63 2.728 24.201 51.530 1.00 1.00 C ATOM 962 CE1 HIS A 63 4.671 23.619 52.292 1.00 1.00 C ATOM 963 NE2 HIS A 63 3.525 24.191 52.670 1.00 1.00 N ATOM 0 H HIS A 63 2.926 25.407 46.739 1.00 1.00 H new ATOM 0 HA HIS A 63 1.168 24.434 48.788 1.00 1.00 H new ATOM 0 HB2 HIS A 63 2.451 22.471 48.966 1.00 1.00 H new ATOM 0 HB3 HIS A 63 3.927 23.257 48.442 1.00 1.00 H new ATOM 0 HD2 HIS A 63 1.724 24.595 51.476 1.00 1.00 H new ATOM 0 HE1 HIS A 63 5.513 23.457 52.949 1.00 1.00 H new ATOM 0 HE2 HIS A 63 3.285 24.545 53.596 1.00 1.00 H new ATOM 971 N HIS A 64 1.785 26.756 49.501 1.00 1.00 N ATOM 972 CA HIS A 64 2.142 28.024 50.125 1.00 1.00 C ATOM 973 C HIS A 64 3.183 27.808 51.219 1.00 1.00 C ATOM 974 O HIS A 64 2.907 27.047 52.131 1.00 1.00 O ATOM 975 CB HIS A 64 0.897 28.680 50.725 1.00 1.00 C ATOM 976 CG HIS A 64 1.234 30.074 51.178 1.00 1.00 C ATOM 977 ND1 HIS A 64 2.020 30.927 50.421 1.00 1.00 N ATOM 978 CD2 HIS A 64 0.897 30.778 52.308 1.00 1.00 C ATOM 979 CE1 HIS A 64 2.130 32.085 51.098 1.00 1.00 C ATOM 980 NE2 HIS A 64 1.464 32.048 52.255 1.00 1.00 N ATOM 981 OXT HIS A 64 4.242 28.408 51.128 1.00 1.00 O ATOM 0 H HIS A 64 0.786 26.626 49.343 1.00 1.00 H new ATOM 0 HA HIS A 64 2.564 28.677 49.361 1.00 1.00 H new ATOM 0 HB2 HIS A 64 0.097 28.710 49.986 1.00 1.00 H new ATOM 0 HB3 HIS A 64 0.532 28.091 51.566 1.00 1.00 H new ATOM 0 HD2 HIS A 64 0.285 30.403 53.115 1.00 1.00 H new ATOM 0 HE1 HIS A 64 2.689 32.940 50.748 1.00 1.00 H new ATOM 0 HE2 HIS A 64 1.387 32.791 52.950 1.00 1.00 H new TER 989 HIS A 64