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 Set 1.1: A 62 HIS : no HD1:sc= -2.54 K(o=-5.1,f=-6.5!) USER MOD Set 1.2: A 64 HIS : no HE2:sc= -2.53 K(o=-5.1,f=-11!) USER MOD Set 2.1: A 44 THR OG1 : rot -163:sc= -0.371 USER MOD Set 2.2: A 46 ASN :FLIP amide:sc= -1.3 F(o=-4.5!,f=-1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= -0.0618 (180deg=-1.05) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) 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 :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 16 GLN : amide:sc= 0.0853 X(o=0.085,f=0) USER MOD Single : A 17 SER OG : rot 96:sc= -0.494! 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 -59:sc= 0.679 USER MOD Single : A 25 LYS NZ :NH3+ -145:sc= -1.23! (180deg=-2.95!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 106:sc= 0.0343 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -130:sc= -0.432 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -6.94! C(o=-7.5!,f=-6.9!) USER MOD Single : A 61 HIS : no HD1:sc= -0.264 K(o=-0.26,f=-0.78) USER MOD Single : A 63 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 109.625 -11.106 -2.790 1.00 1.00 N ATOM 2 CA MET A 1 109.246 -12.463 -2.305 1.00 1.00 C ATOM 3 C MET A 1 108.142 -13.027 -3.195 1.00 1.00 C ATOM 4 O MET A 1 107.601 -12.325 -4.049 1.00 1.00 O ATOM 5 CB MET A 1 108.753 -12.367 -0.860 1.00 1.00 C ATOM 6 CG MET A 1 109.895 -11.886 0.037 1.00 1.00 C ATOM 7 SD MET A 1 111.011 -13.267 0.388 1.00 1.00 S ATOM 8 CE MET A 1 110.292 -13.741 1.981 1.00 1.00 C ATOM 0 H1 MET A 1 110.653 -11.066 -2.940 1.00 1.00 H new ATOM 0 H2 MET A 1 109.136 -10.909 -3.687 1.00 1.00 H new ATOM 0 H3 MET A 1 109.350 -10.395 -2.082 1.00 1.00 H new ATOM 0 HA MET A 1 110.112 -13.124 -2.344 1.00 1.00 H new ATOM 0 HB2 MET A 1 107.911 -11.677 -0.797 1.00 1.00 H new ATOM 0 HB3 MET A 1 108.395 -13.339 -0.521 1.00 1.00 H new ATOM 0 HG2 MET A 1 110.441 -11.079 -0.452 1.00 1.00 H new ATOM 0 HG3 MET A 1 109.495 -11.482 0.967 1.00 1.00 H new ATOM 0 HE1 MET A 1 110.838 -14.592 2.388 1.00 1.00 H new ATOM 0 HE2 MET A 1 110.359 -12.903 2.674 1.00 1.00 H new ATOM 0 HE3 MET A 1 109.246 -14.014 1.841 1.00 1.00 H new ATOM 20 N GLU A 2 107.812 -14.298 -2.987 1.00 1.00 N ATOM 21 CA GLU A 2 106.772 -14.945 -3.775 1.00 1.00 C ATOM 22 C GLU A 2 105.898 -15.828 -2.889 1.00 1.00 C ATOM 23 O GLU A 2 105.923 -17.054 -3.001 1.00 1.00 O ATOM 24 CB GLU A 2 107.404 -15.795 -4.879 1.00 1.00 C ATOM 25 CG GLU A 2 106.304 -16.457 -5.710 1.00 1.00 C ATOM 26 CD GLU A 2 106.555 -16.219 -7.195 1.00 1.00 C ATOM 27 OE1 GLU A 2 106.286 -15.120 -7.652 1.00 1.00 O ATOM 28 OE2 GLU A 2 107.013 -17.138 -7.852 1.00 1.00 O ATOM 0 H GLU A 2 108.247 -14.896 -2.284 1.00 1.00 H new ATOM 0 HA GLU A 2 106.150 -14.171 -4.224 1.00 1.00 H new ATOM 0 HB2 GLU A 2 108.031 -15.172 -5.517 1.00 1.00 H new ATOM 0 HB3 GLU A 2 108.051 -16.556 -4.441 1.00 1.00 H new ATOM 0 HG2 GLU A 2 106.276 -17.527 -5.505 1.00 1.00 H new ATOM 0 HG3 GLU A 2 105.332 -16.053 -5.428 1.00 1.00 H new ATOM 35 N GLU A 3 105.129 -15.197 -2.009 1.00 1.00 N ATOM 36 CA GLU A 3 104.251 -15.936 -1.108 1.00 1.00 C ATOM 37 C GLU A 3 103.313 -16.842 -1.898 1.00 1.00 C ATOM 38 O GLU A 3 103.629 -18.003 -2.159 1.00 1.00 O ATOM 39 CB GLU A 3 103.430 -14.961 -0.263 1.00 1.00 C ATOM 40 CG GLU A 3 104.197 -14.623 1.017 1.00 1.00 C ATOM 41 CD GLU A 3 105.597 -14.129 0.670 1.00 1.00 C ATOM 42 OE1 GLU A 3 105.700 -13.064 0.084 1.00 1.00 O ATOM 43 OE2 GLU A 3 106.546 -14.823 0.998 1.00 1.00 O ATOM 0 H GLU A 3 105.095 -14.183 -1.900 1.00 1.00 H new ATOM 0 HA GLU A 3 104.868 -16.552 -0.454 1.00 1.00 H new ATOM 0 HB2 GLU A 3 103.229 -14.052 -0.830 1.00 1.00 H new ATOM 0 HB3 GLU A 3 102.464 -15.402 -0.015 1.00 1.00 H new ATOM 0 HG2 GLU A 3 103.662 -13.859 1.580 1.00 1.00 H new ATOM 0 HG3 GLU A 3 104.261 -15.504 1.656 1.00 1.00 H new ATOM 50 N GLY A 4 102.158 -16.305 -2.275 1.00 1.00 N ATOM 51 CA GLY A 4 101.179 -17.075 -3.035 1.00 1.00 C ATOM 52 C GLY A 4 99.826 -16.375 -3.050 1.00 1.00 C ATOM 53 O GLY A 4 99.346 -15.910 -2.016 1.00 1.00 O ATOM 0 H GLY A 4 101.877 -15.346 -2.069 1.00 1.00 H new ATOM 0 HA2 GLY A 4 101.533 -17.212 -4.057 1.00 1.00 H new ATOM 0 HA3 GLY A 4 101.074 -18.068 -2.598 1.00 1.00 H new ATOM 57 N GLY A 5 99.214 -16.304 -4.227 1.00 1.00 N ATOM 58 CA GLY A 5 97.915 -15.658 -4.364 1.00 1.00 C ATOM 59 C GLY A 5 97.307 -15.940 -5.733 1.00 1.00 C ATOM 60 O GLY A 5 97.332 -15.089 -6.622 1.00 1.00 O ATOM 0 H GLY A 5 99.594 -16.683 -5.094 1.00 1.00 H new ATOM 0 HA2 GLY A 5 97.243 -16.015 -3.583 1.00 1.00 H new ATOM 0 HA3 GLY A 5 98.023 -14.582 -4.225 1.00 1.00 H new ATOM 64 N ASP A 6 96.760 -17.141 -5.896 1.00 1.00 N ATOM 65 CA ASP A 6 96.148 -17.524 -7.163 1.00 1.00 C ATOM 66 C ASP A 6 94.864 -18.312 -6.921 1.00 1.00 C ATOM 67 O ASP A 6 94.504 -19.186 -7.709 1.00 1.00 O ATOM 68 CB ASP A 6 97.125 -18.375 -7.978 1.00 1.00 C ATOM 69 CG ASP A 6 98.305 -17.521 -8.433 1.00 1.00 C ATOM 70 OD1 ASP A 6 99.177 -17.271 -7.619 1.00 1.00 O ATOM 71 OD2 ASP A 6 98.318 -17.133 -9.589 1.00 1.00 O ATOM 0 H ASP A 6 96.728 -17.860 -5.173 1.00 1.00 H new ATOM 0 HA ASP A 6 95.906 -16.617 -7.717 1.00 1.00 H new ATOM 0 HB2 ASP A 6 97.481 -19.211 -7.377 1.00 1.00 H new ATOM 0 HB3 ASP A 6 96.616 -18.799 -8.844 1.00 1.00 H new ATOM 76 N PHE A 7 94.180 -17.998 -5.827 1.00 1.00 N ATOM 77 CA PHE A 7 92.938 -18.683 -5.491 1.00 1.00 C ATOM 78 C PHE A 7 92.135 -17.873 -4.479 1.00 1.00 C ATOM 79 O PHE A 7 91.804 -18.363 -3.399 1.00 1.00 O ATOM 80 CB PHE A 7 93.243 -20.067 -4.913 1.00 1.00 C ATOM 81 CG PHE A 7 93.616 -21.009 -6.033 1.00 1.00 C ATOM 82 CD1 PHE A 7 92.628 -21.492 -6.899 1.00 1.00 C ATOM 83 CD2 PHE A 7 94.950 -21.398 -6.205 1.00 1.00 C ATOM 84 CE1 PHE A 7 92.974 -22.365 -7.937 1.00 1.00 C ATOM 85 CE2 PHE A 7 95.295 -22.272 -7.242 1.00 1.00 C ATOM 86 CZ PHE A 7 94.307 -22.755 -8.109 1.00 1.00 C ATOM 0 H PHE A 7 94.462 -17.278 -5.162 1.00 1.00 H new ATOM 0 HA PHE A 7 92.349 -18.792 -6.402 1.00 1.00 H new ATOM 0 HB2 PHE A 7 94.058 -20.000 -4.193 1.00 1.00 H new ATOM 0 HB3 PHE A 7 92.374 -20.448 -4.377 1.00 1.00 H new ATOM 0 HD1 PHE A 7 91.599 -21.191 -6.766 1.00 1.00 H new ATOM 0 HD2 PHE A 7 95.712 -21.024 -5.538 1.00 1.00 H new ATOM 0 HE1 PHE A 7 92.212 -22.738 -8.605 1.00 1.00 H new ATOM 0 HE2 PHE A 7 96.323 -22.574 -7.374 1.00 1.00 H new ATOM 0 HZ PHE A 7 94.574 -23.428 -8.910 1.00 1.00 H new ATOM 96 N ASP A 8 91.824 -16.631 -4.836 1.00 1.00 N ATOM 97 CA ASP A 8 91.058 -15.762 -3.950 1.00 1.00 C ATOM 98 C ASP A 8 90.022 -14.971 -4.741 1.00 1.00 C ATOM 99 O ASP A 8 89.819 -13.780 -4.501 1.00 1.00 O ATOM 100 CB ASP A 8 91.998 -14.794 -3.227 1.00 1.00 C ATOM 101 CG ASP A 8 91.400 -14.393 -1.883 1.00 1.00 C ATOM 102 OD1 ASP A 8 90.188 -14.459 -1.753 1.00 1.00 O ATOM 103 OD2 ASP A 8 92.161 -14.027 -1.003 1.00 1.00 O ATOM 0 H ASP A 8 92.088 -16.206 -5.725 1.00 1.00 H new ATOM 0 HA ASP A 8 90.543 -16.384 -3.218 1.00 1.00 H new ATOM 0 HB2 ASP A 8 92.970 -15.263 -3.076 1.00 1.00 H new ATOM 0 HB3 ASP A 8 92.163 -13.908 -3.840 1.00 1.00 H new ATOM 108 N ASN A 9 89.367 -15.641 -5.684 1.00 1.00 N ATOM 109 CA ASN A 9 88.352 -14.992 -6.506 1.00 1.00 C ATOM 110 C ASN A 9 86.954 -15.370 -6.027 1.00 1.00 C ATOM 111 O ASN A 9 86.255 -14.561 -5.418 1.00 1.00 O ATOM 112 CB ASN A 9 88.522 -15.403 -7.969 1.00 1.00 C ATOM 113 CG ASN A 9 89.846 -14.873 -8.508 1.00 1.00 C ATOM 114 OD1 ASN A 9 90.009 -13.666 -8.680 1.00 1.00 O ATOM 115 ND2 ASN A 9 90.808 -15.711 -8.786 1.00 1.00 N ATOM 0 H ASN A 9 89.520 -16.627 -5.897 1.00 1.00 H new ATOM 0 HA ASN A 9 88.475 -13.913 -6.417 1.00 1.00 H new ATOM 0 HB2 ASN A 9 88.493 -16.489 -8.056 1.00 1.00 H new ATOM 0 HB3 ASN A 9 87.696 -15.013 -8.563 1.00 1.00 H new ATOM 0 HD21 ASN A 9 91.697 -15.365 -9.147 1.00 1.00 H new ATOM 0 HD22 ASN A 9 90.670 -16.711 -8.642 1.00 1.00 H new ATOM 122 N TYR A 10 86.554 -16.607 -6.307 1.00 1.00 N ATOM 123 CA TYR A 10 85.237 -17.082 -5.901 1.00 1.00 C ATOM 124 C TYR A 10 85.318 -17.793 -4.553 1.00 1.00 C ATOM 125 O TYR A 10 84.313 -18.284 -4.038 1.00 1.00 O ATOM 126 CB TYR A 10 84.680 -18.043 -6.953 1.00 1.00 C ATOM 127 CG TYR A 10 84.758 -17.396 -8.316 1.00 1.00 C ATOM 128 CD1 TYR A 10 83.727 -16.554 -8.752 1.00 1.00 C ATOM 129 CD2 TYR A 10 85.861 -17.638 -9.143 1.00 1.00 C ATOM 130 CE1 TYR A 10 83.799 -15.956 -10.014 1.00 1.00 C ATOM 131 CE2 TYR A 10 85.933 -17.038 -10.407 1.00 1.00 C ATOM 132 CZ TYR A 10 84.903 -16.197 -10.842 1.00 1.00 C ATOM 133 OH TYR A 10 84.973 -15.606 -12.087 1.00 1.00 O ATOM 0 H TYR A 10 87.118 -17.293 -6.809 1.00 1.00 H new ATOM 0 HA TYR A 10 84.574 -16.222 -5.808 1.00 1.00 H new ATOM 0 HB2 TYR A 10 85.247 -18.974 -6.947 1.00 1.00 H new ATOM 0 HB3 TYR A 10 83.647 -18.298 -6.718 1.00 1.00 H new ATOM 0 HD1 TYR A 10 82.876 -16.367 -8.113 1.00 1.00 H new ATOM 0 HD2 TYR A 10 86.656 -18.287 -8.807 1.00 1.00 H new ATOM 0 HE1 TYR A 10 83.003 -15.308 -10.350 1.00 1.00 H new ATOM 0 HE2 TYR A 10 86.784 -17.225 -11.046 1.00 1.00 H new ATOM 0 HH TYR A 10 85.803 -15.877 -12.531 1.00 1.00 H new ATOM 143 N TYR A 11 86.519 -17.841 -3.987 1.00 1.00 N ATOM 144 CA TYR A 11 86.719 -18.494 -2.698 1.00 1.00 C ATOM 145 C TYR A 11 86.063 -19.870 -2.686 1.00 1.00 C ATOM 146 O TYR A 11 85.449 -20.268 -1.696 1.00 1.00 O ATOM 147 CB TYR A 11 86.128 -17.632 -1.580 1.00 1.00 C ATOM 148 CG TYR A 11 86.110 -16.187 -2.014 1.00 1.00 C ATOM 149 CD1 TYR A 11 87.231 -15.377 -1.801 1.00 1.00 C ATOM 150 CD2 TYR A 11 84.970 -15.657 -2.633 1.00 1.00 C ATOM 151 CE1 TYR A 11 87.214 -14.037 -2.204 1.00 1.00 C ATOM 152 CE2 TYR A 11 84.953 -14.316 -3.037 1.00 1.00 C ATOM 153 CZ TYR A 11 86.075 -13.506 -2.822 1.00 1.00 C ATOM 154 OH TYR A 11 86.058 -12.184 -3.221 1.00 1.00 O ATOM 0 H TYR A 11 87.363 -17.439 -4.396 1.00 1.00 H new ATOM 0 HA TYR A 11 87.790 -18.616 -2.535 1.00 1.00 H new ATOM 0 HB2 TYR A 11 85.117 -17.965 -1.346 1.00 1.00 H new ATOM 0 HB3 TYR A 11 86.719 -17.742 -0.671 1.00 1.00 H new ATOM 0 HD1 TYR A 11 88.110 -15.786 -1.325 1.00 1.00 H new ATOM 0 HD2 TYR A 11 84.105 -16.282 -2.798 1.00 1.00 H new ATOM 0 HE1 TYR A 11 88.079 -13.412 -2.038 1.00 1.00 H new ATOM 0 HE2 TYR A 11 84.075 -13.907 -3.514 1.00 1.00 H new ATOM 0 HH TYR A 11 85.193 -11.978 -3.633 1.00 1.00 H new ATOM 164 N GLY A 12 86.197 -20.593 -3.793 1.00 1.00 N ATOM 165 CA GLY A 12 85.614 -21.925 -3.900 1.00 1.00 C ATOM 166 C GLY A 12 84.221 -21.962 -3.281 1.00 1.00 C ATOM 167 O GLY A 12 83.793 -22.988 -2.753 1.00 1.00 O ATOM 0 H GLY A 12 86.701 -20.282 -4.623 1.00 1.00 H new ATOM 0 HA2 GLY A 12 85.558 -22.218 -4.948 1.00 1.00 H new ATOM 0 HA3 GLY A 12 86.258 -22.649 -3.400 1.00 1.00 H new ATOM 171 N ALA A 13 83.519 -20.836 -3.349 1.00 1.00 N ATOM 172 CA ALA A 13 82.174 -20.751 -2.791 1.00 1.00 C ATOM 173 C ALA A 13 81.546 -19.397 -3.107 1.00 1.00 C ATOM 174 O ALA A 13 81.462 -18.525 -2.243 1.00 1.00 O ATOM 175 CB ALA A 13 82.224 -20.952 -1.275 1.00 1.00 C ATOM 0 H ALA A 13 83.855 -19.976 -3.781 1.00 1.00 H new ATOM 0 HA ALA A 13 81.564 -21.534 -3.241 1.00 1.00 H new ATOM 0 HB1 ALA A 13 81.216 -20.887 -0.866 1.00 1.00 H new ATOM 0 HB2 ALA A 13 82.644 -21.933 -1.052 1.00 1.00 H new ATOM 0 HB3 ALA A 13 82.848 -20.179 -0.826 1.00 1.00 H new ATOM 181 N ASP A 14 81.110 -19.229 -4.351 1.00 1.00 N ATOM 182 CA ASP A 14 80.492 -17.976 -4.770 1.00 1.00 C ATOM 183 C ASP A 14 78.974 -18.115 -4.809 1.00 1.00 C ATOM 184 O ASP A 14 78.247 -17.205 -4.411 1.00 1.00 O ATOM 185 CB ASP A 14 81.005 -17.577 -6.154 1.00 1.00 C ATOM 186 CG ASP A 14 79.904 -16.866 -6.934 1.00 1.00 C ATOM 187 OD1 ASP A 14 79.264 -16.001 -6.359 1.00 1.00 O ATOM 188 OD2 ASP A 14 79.716 -17.198 -8.092 1.00 1.00 O ATOM 0 H ASP A 14 81.172 -19.938 -5.081 1.00 1.00 H new ATOM 0 HA ASP A 14 80.757 -17.203 -4.048 1.00 1.00 H new ATOM 0 HB2 ASP A 14 81.872 -16.924 -6.055 1.00 1.00 H new ATOM 0 HB3 ASP A 14 81.334 -18.462 -6.698 1.00 1.00 H new ATOM 193 N ASN A 15 78.501 -19.259 -5.293 1.00 1.00 N ATOM 194 CA ASN A 15 77.067 -19.505 -5.381 1.00 1.00 C ATOM 195 C ASN A 15 76.503 -19.885 -4.015 1.00 1.00 C ATOM 196 O ASN A 15 76.687 -21.009 -3.548 1.00 1.00 O ATOM 197 CB ASN A 15 76.790 -20.630 -6.380 1.00 1.00 C ATOM 198 CG ASN A 15 76.868 -20.093 -7.805 1.00 1.00 C ATOM 199 OD1 ASN A 15 77.907 -19.395 -8.173 1.00 1.00 O flip ATOM 200 ND2 ASN A 15 75.957 -20.314 -8.603 1.00 1.00 N flip ATOM 0 H ASN A 15 79.085 -20.025 -5.628 1.00 1.00 H new ATOM 0 HA ASN A 15 76.581 -18.590 -5.720 1.00 1.00 H new ATOM 0 HB2 ASN A 15 77.514 -21.434 -6.245 1.00 1.00 H new ATOM 0 HB3 ASN A 15 75.804 -21.056 -6.197 1.00 1.00 H new ATOM 0 HD21 ASN A 15 75.146 -20.860 -8.313 1.00 1.00 H new ATOM 0 HD22 ASN A 15 76.013 -19.951 -9.555 1.00 1.00 H new ATOM 207 N GLN A 16 75.816 -18.940 -3.380 1.00 1.00 N ATOM 208 CA GLN A 16 75.230 -19.187 -2.068 1.00 1.00 C ATOM 209 C GLN A 16 73.783 -19.649 -2.206 1.00 1.00 C ATOM 210 O GLN A 16 72.886 -19.111 -1.557 1.00 1.00 O ATOM 211 CB GLN A 16 75.283 -17.912 -1.225 1.00 1.00 C ATOM 212 CG GLN A 16 76.712 -17.684 -0.731 1.00 1.00 C ATOM 213 CD GLN A 16 77.029 -16.192 -0.722 1.00 1.00 C ATOM 214 OE1 GLN A 16 77.047 -15.567 0.338 1.00 1.00 O ATOM 215 NE2 GLN A 16 77.281 -15.581 -1.847 1.00 1.00 N ATOM 0 H GLN A 16 75.653 -18.003 -3.750 1.00 1.00 H new ATOM 0 HA GLN A 16 75.804 -19.972 -1.576 1.00 1.00 H new ATOM 0 HB2 GLN A 16 74.951 -17.059 -1.816 1.00 1.00 H new ATOM 0 HB3 GLN A 16 74.603 -17.996 -0.377 1.00 1.00 H new ATOM 0 HG2 GLN A 16 76.829 -18.095 0.272 1.00 1.00 H new ATOM 0 HG3 GLN A 16 77.417 -18.210 -1.375 1.00 1.00 H new ATOM 0 HE21 GLN A 16 77.266 -16.101 -2.724 1.00 1.00 H new ATOM 0 HE22 GLN A 16 77.493 -14.583 -1.849 1.00 1.00 H new ATOM 224 N SER A 17 73.566 -20.647 -3.057 1.00 1.00 N ATOM 225 CA SER A 17 72.224 -21.175 -3.276 1.00 1.00 C ATOM 226 C SER A 17 71.443 -20.270 -4.222 1.00 1.00 C ATOM 227 O SER A 17 70.213 -20.313 -4.268 1.00 1.00 O ATOM 228 CB SER A 17 71.480 -21.290 -1.945 1.00 1.00 C ATOM 229 OG SER A 17 72.420 -21.468 -0.895 1.00 1.00 O ATOM 0 H SER A 17 74.297 -21.104 -3.603 1.00 1.00 H new ATOM 0 HA SER A 17 72.313 -22.164 -3.725 1.00 1.00 H new ATOM 0 HB2 SER A 17 70.886 -20.393 -1.769 1.00 1.00 H new ATOM 0 HB3 SER A 17 70.787 -22.131 -1.974 1.00 1.00 H new ATOM 0 HG SER A 17 72.616 -20.602 -0.481 1.00 1.00 H new ATOM 235 N GLU A 18 72.167 -19.451 -4.977 1.00 1.00 N ATOM 236 CA GLU A 18 71.536 -18.537 -5.920 1.00 1.00 C ATOM 237 C GLU A 18 70.535 -19.282 -6.798 1.00 1.00 C ATOM 238 O GLU A 18 70.627 -20.497 -6.968 1.00 1.00 O ATOM 239 CB GLU A 18 72.601 -17.881 -6.800 1.00 1.00 C ATOM 240 CG GLU A 18 72.452 -16.361 -6.738 1.00 1.00 C ATOM 241 CD GLU A 18 72.812 -15.858 -5.344 1.00 1.00 C ATOM 242 OE1 GLU A 18 73.960 -16.004 -4.962 1.00 1.00 O ATOM 243 OE2 GLU A 18 71.933 -15.333 -4.680 1.00 1.00 O ATOM 0 H GLU A 18 73.186 -19.402 -4.954 1.00 1.00 H new ATOM 0 HA GLU A 18 71.006 -17.769 -5.357 1.00 1.00 H new ATOM 0 HB2 GLU A 18 73.596 -18.173 -6.463 1.00 1.00 H new ATOM 0 HB3 GLU A 18 72.499 -18.225 -7.829 1.00 1.00 H new ATOM 0 HG2 GLU A 18 73.099 -15.893 -7.481 1.00 1.00 H new ATOM 0 HG3 GLU A 18 71.428 -16.077 -6.983 1.00 1.00 H new ATOM 250 N CYS A 19 69.578 -18.545 -7.353 1.00 1.00 N ATOM 251 CA CYS A 19 68.564 -19.145 -8.212 1.00 1.00 C ATOM 252 C CYS A 19 67.516 -19.873 -7.376 1.00 1.00 C ATOM 253 O CYS A 19 66.439 -20.209 -7.869 1.00 1.00 O ATOM 254 CB CYS A 19 69.219 -20.130 -9.183 1.00 1.00 C ATOM 255 SG CYS A 19 68.291 -20.150 -10.737 1.00 1.00 S ATOM 0 H CYS A 19 69.484 -17.538 -7.224 1.00 1.00 H new ATOM 0 HA CYS A 19 68.075 -18.350 -8.775 1.00 1.00 H new ATOM 0 HB2 CYS A 19 70.254 -19.841 -9.368 1.00 1.00 H new ATOM 0 HB3 CYS A 19 69.240 -21.128 -8.746 1.00 1.00 H new ATOM 0 HG CYS A 19 68.847 -20.985 -11.564 1.00 1.00 H new ATOM 261 N GLU A 20 67.840 -20.113 -6.109 1.00 1.00 N ATOM 262 CA GLU A 20 66.918 -20.802 -5.214 1.00 1.00 C ATOM 263 C GLU A 20 66.245 -21.968 -5.930 1.00 1.00 C ATOM 264 O GLU A 20 65.172 -22.419 -5.531 1.00 1.00 O ATOM 265 CB GLU A 20 65.853 -19.826 -4.709 1.00 1.00 C ATOM 266 CG GLU A 20 65.447 -20.204 -3.284 1.00 1.00 C ATOM 267 CD GLU A 20 64.219 -19.404 -2.862 1.00 1.00 C ATOM 268 OE1 GLU A 20 64.204 -18.209 -3.103 1.00 1.00 O ATOM 269 OE2 GLU A 20 63.313 -19.999 -2.301 1.00 1.00 O ATOM 0 H GLU A 20 68.726 -19.843 -5.682 1.00 1.00 H new ATOM 0 HA GLU A 20 67.485 -21.190 -4.368 1.00 1.00 H new ATOM 0 HB2 GLU A 20 66.240 -18.807 -4.730 1.00 1.00 H new ATOM 0 HB3 GLU A 20 64.983 -19.850 -5.365 1.00 1.00 H new ATOM 0 HG2 GLU A 20 65.232 -21.271 -3.229 1.00 1.00 H new ATOM 0 HG3 GLU A 20 66.272 -20.009 -2.598 1.00 1.00 H new ATOM 276 N TYR A 21 66.886 -22.452 -6.990 1.00 1.00 N ATOM 277 CA TYR A 21 66.342 -23.568 -7.757 1.00 1.00 C ATOM 278 C TYR A 21 64.927 -23.257 -8.234 1.00 1.00 C ATOM 279 O TYR A 21 63.968 -23.917 -7.834 1.00 1.00 O ATOM 280 CB TYR A 21 66.327 -24.834 -6.896 1.00 1.00 C ATOM 281 CG TYR A 21 67.694 -25.473 -6.914 1.00 1.00 C ATOM 282 CD1 TYR A 21 68.737 -24.917 -6.165 1.00 1.00 C ATOM 283 CD2 TYR A 21 67.919 -26.623 -7.681 1.00 1.00 C ATOM 284 CE1 TYR A 21 70.005 -25.509 -6.182 1.00 1.00 C ATOM 285 CE2 TYR A 21 69.187 -27.217 -7.697 1.00 1.00 C ATOM 286 CZ TYR A 21 70.230 -26.659 -6.947 1.00 1.00 C ATOM 287 OH TYR A 21 71.480 -27.244 -6.964 1.00 1.00 O ATOM 0 H TYR A 21 67.776 -22.092 -7.335 1.00 1.00 H new ATOM 0 HA TYR A 21 66.977 -23.727 -8.629 1.00 1.00 H new ATOM 0 HB2 TYR A 21 66.043 -24.587 -5.873 1.00 1.00 H new ATOM 0 HB3 TYR A 21 65.582 -25.534 -7.274 1.00 1.00 H new ATOM 0 HD1 TYR A 21 68.563 -24.030 -5.573 1.00 1.00 H new ATOM 0 HD2 TYR A 21 67.115 -27.052 -8.260 1.00 1.00 H new ATOM 0 HE1 TYR A 21 70.810 -25.078 -5.605 1.00 1.00 H new ATOM 0 HE2 TYR A 21 69.361 -28.105 -8.287 1.00 1.00 H new ATOM 0 HH TYR A 21 71.464 -28.034 -7.544 1.00 1.00 H new ATOM 297 N THR A 22 64.805 -22.250 -9.093 1.00 1.00 N ATOM 298 CA THR A 22 63.502 -21.862 -9.619 1.00 1.00 C ATOM 299 C THR A 22 62.518 -21.607 -8.483 1.00 1.00 C ATOM 300 O THR A 22 61.350 -21.986 -8.564 1.00 1.00 O ATOM 301 CB THR A 22 62.958 -22.964 -10.532 1.00 1.00 C ATOM 302 OG1 THR A 22 62.405 -24.003 -9.737 1.00 1.00 O ATOM 303 CG2 THR A 22 64.092 -23.523 -11.392 1.00 1.00 C ATOM 0 H THR A 22 65.586 -21.692 -9.437 1.00 1.00 H new ATOM 0 HA THR A 22 63.622 -20.942 -10.192 1.00 1.00 H new ATOM 0 HB THR A 22 62.185 -22.552 -11.181 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.096 -24.363 -9.142 1.00 1.00 H new ATOM 0 HG21 THR A 22 63.703 -24.307 -12.041 1.00 1.00 H new ATOM 0 HG22 THR A 22 64.515 -22.724 -12.001 1.00 1.00 H new ATOM 0 HG23 THR A 22 64.867 -23.937 -10.747 1.00 1.00 H new ATOM 311 N ASP A 23 62.999 -20.960 -7.426 1.00 1.00 N ATOM 312 CA ASP A 23 62.154 -20.656 -6.277 1.00 1.00 C ATOM 313 C ASP A 23 62.378 -19.219 -5.820 1.00 1.00 C ATOM 314 O ASP A 23 61.793 -18.771 -4.834 1.00 1.00 O ATOM 315 CB ASP A 23 62.469 -21.615 -5.127 1.00 1.00 C ATOM 316 CG ASP A 23 61.217 -21.854 -4.290 1.00 1.00 C ATOM 317 OD1 ASP A 23 60.399 -22.659 -4.700 1.00 1.00 O ATOM 318 OD2 ASP A 23 61.097 -21.228 -3.250 1.00 1.00 O ATOM 0 H ASP A 23 63.963 -20.638 -7.341 1.00 1.00 H new ATOM 0 HA ASP A 23 61.111 -20.776 -6.572 1.00 1.00 H new ATOM 0 HB2 ASP A 23 62.838 -22.561 -5.522 1.00 1.00 H new ATOM 0 HB3 ASP A 23 63.260 -21.200 -4.503 1.00 1.00 H new ATOM 323 N TRP A 24 63.228 -18.500 -6.547 1.00 1.00 N ATOM 324 CA TRP A 24 63.523 -17.112 -6.211 1.00 1.00 C ATOM 325 C TRP A 24 62.439 -16.188 -6.755 1.00 1.00 C ATOM 326 O TRP A 24 62.550 -14.965 -6.663 1.00 1.00 O ATOM 327 CB TRP A 24 64.878 -16.710 -6.797 1.00 1.00 C ATOM 328 CG TRP A 24 64.783 -16.676 -8.288 1.00 1.00 C ATOM 329 CD1 TRP A 24 64.741 -17.766 -9.089 1.00 1.00 C ATOM 330 CD2 TRP A 24 64.716 -15.517 -9.169 1.00 1.00 C ATOM 331 NE1 TRP A 24 64.652 -17.350 -10.405 1.00 1.00 N ATOM 332 CE2 TRP A 24 64.633 -15.973 -10.506 1.00 1.00 C ATOM 333 CE3 TRP A 24 64.717 -14.130 -8.940 1.00 1.00 C ATOM 334 CZ2 TRP A 24 64.555 -15.083 -11.579 1.00 1.00 C ATOM 335 CZ3 TRP A 24 64.640 -13.231 -10.017 1.00 1.00 C ATOM 336 CH2 TRP A 24 64.559 -13.708 -11.333 1.00 1.00 C ATOM 0 H TRP A 24 63.721 -18.853 -7.367 1.00 1.00 H new ATOM 0 HA TRP A 24 63.554 -17.019 -5.125 1.00 1.00 H new ATOM 0 HB2 TRP A 24 65.175 -15.732 -6.418 1.00 1.00 H new ATOM 0 HB3 TRP A 24 65.646 -17.419 -6.486 1.00 1.00 H new ATOM 0 HD1 TRP A 24 64.772 -18.793 -8.755 1.00 1.00 H new ATOM 0 HE1 TRP A 24 64.606 -17.983 -11.203 1.00 1.00 H new ATOM 0 HE3 TRP A 24 64.777 -13.753 -7.930 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 64.492 -15.455 -12.591 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 64.643 -12.167 -9.830 1.00 1.00 H new ATOM 0 HH2 TRP A 24 64.500 -13.012 -12.157 1.00 1.00 H new ATOM 347 N LYS A 25 61.392 -16.782 -7.322 1.00 1.00 N ATOM 348 CA LYS A 25 60.289 -16.004 -7.880 1.00 1.00 C ATOM 349 C LYS A 25 58.950 -16.571 -7.422 1.00 1.00 C ATOM 350 O LYS A 25 57.891 -16.062 -7.787 1.00 1.00 O ATOM 351 CB LYS A 25 60.348 -16.008 -9.413 1.00 1.00 C ATOM 352 CG LYS A 25 61.396 -17.013 -9.905 1.00 1.00 C ATOM 353 CD LYS A 25 61.001 -18.428 -9.473 1.00 1.00 C ATOM 354 CE LYS A 25 60.809 -19.304 -10.712 1.00 1.00 C ATOM 355 NZ LYS A 25 60.315 -20.647 -10.299 1.00 1.00 N ATOM 0 H LYS A 25 61.284 -17.793 -7.407 1.00 1.00 H new ATOM 0 HA LYS A 25 60.385 -14.979 -7.522 1.00 1.00 H new ATOM 0 HB2 LYS A 25 59.370 -16.264 -9.820 1.00 1.00 H new ATOM 0 HB3 LYS A 25 60.593 -15.010 -9.776 1.00 1.00 H new ATOM 0 HG2 LYS A 25 61.478 -16.964 -10.991 1.00 1.00 H new ATOM 0 HG3 LYS A 25 62.375 -16.759 -9.499 1.00 1.00 H new ATOM 0 HD2 LYS A 25 61.772 -18.852 -8.830 1.00 1.00 H new ATOM 0 HD3 LYS A 25 60.081 -18.398 -8.889 1.00 1.00 H new ATOM 0 HE2 LYS A 25 60.098 -18.837 -11.394 1.00 1.00 H new ATOM 0 HE3 LYS A 25 61.751 -19.401 -11.251 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 60.718 -21.373 -10.926 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 60.605 -20.837 -9.318 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 59.277 -20.670 -10.364 1.00 1.00 H new ATOM 369 N SER A 26 59.004 -17.630 -6.619 1.00 1.00 N ATOM 370 CA SER A 26 57.788 -18.257 -6.117 1.00 1.00 C ATOM 371 C SER A 26 57.495 -17.796 -4.694 1.00 1.00 C ATOM 372 O SER A 26 56.372 -17.405 -4.376 1.00 1.00 O ATOM 373 CB SER A 26 57.937 -19.779 -6.141 1.00 1.00 C ATOM 374 OG SER A 26 56.680 -20.379 -5.853 1.00 1.00 O ATOM 0 H SER A 26 59.870 -18.068 -6.305 1.00 1.00 H new ATOM 0 HA SER A 26 56.959 -17.963 -6.760 1.00 1.00 H new ATOM 0 HB2 SER A 26 58.294 -20.106 -7.118 1.00 1.00 H new ATOM 0 HB3 SER A 26 58.680 -20.095 -5.409 1.00 1.00 H new ATOM 0 HG SER A 26 56.772 -21.355 -5.869 1.00 1.00 H new ATOM 380 N SER A 27 58.514 -17.843 -3.840 1.00 1.00 N ATOM 381 CA SER A 27 58.355 -17.427 -2.453 1.00 1.00 C ATOM 382 C SER A 27 58.570 -15.923 -2.316 1.00 1.00 C ATOM 383 O SER A 27 59.012 -15.442 -1.272 1.00 1.00 O ATOM 384 CB SER A 27 59.357 -18.169 -1.567 1.00 1.00 C ATOM 385 OG SER A 27 58.957 -19.528 -1.445 1.00 1.00 O ATOM 0 H SER A 27 59.452 -18.163 -4.083 1.00 1.00 H new ATOM 0 HA SER A 27 57.340 -17.668 -2.136 1.00 1.00 H new ATOM 0 HB2 SER A 27 60.356 -18.109 -1.998 1.00 1.00 H new ATOM 0 HB3 SER A 27 59.406 -17.702 -0.583 1.00 1.00 H new ATOM 0 HG SER A 27 59.552 -20.093 -1.981 1.00 1.00 H new ATOM 391 N GLY A 28 58.255 -15.187 -3.377 1.00 1.00 N ATOM 392 CA GLY A 28 58.418 -13.737 -3.366 1.00 1.00 C ATOM 393 C GLY A 28 57.214 -13.050 -4.001 1.00 1.00 C ATOM 394 O GLY A 28 57.269 -11.866 -4.332 1.00 1.00 O ATOM 0 H GLY A 28 57.888 -15.567 -4.250 1.00 1.00 H new ATOM 0 HA2 GLY A 28 58.542 -13.389 -2.341 1.00 1.00 H new ATOM 0 HA3 GLY A 28 59.324 -13.465 -3.907 1.00 1.00 H new ATOM 398 N ALA A 29 56.130 -13.800 -4.169 1.00 1.00 N ATOM 399 CA ALA A 29 54.918 -13.253 -4.766 1.00 1.00 C ATOM 400 C ALA A 29 53.686 -13.703 -3.988 1.00 1.00 C ATOM 401 O ALA A 29 52.556 -13.397 -4.369 1.00 1.00 O ATOM 402 CB ALA A 29 54.800 -13.712 -6.221 1.00 1.00 C ATOM 0 H ALA A 29 56.066 -14.782 -3.902 1.00 1.00 H new ATOM 0 HA ALA A 29 54.978 -12.165 -4.731 1.00 1.00 H new ATOM 0 HB1 ALA A 29 53.892 -13.299 -6.660 1.00 1.00 H new ATOM 0 HB2 ALA A 29 55.666 -13.364 -6.784 1.00 1.00 H new ATOM 0 HB3 ALA A 29 54.758 -14.801 -6.257 1.00 1.00 H new ATOM 408 N LEU A 30 53.914 -14.429 -2.896 1.00 1.00 N ATOM 409 CA LEU A 30 52.818 -14.919 -2.066 1.00 1.00 C ATOM 410 C LEU A 30 52.831 -14.239 -0.700 1.00 1.00 C ATOM 411 O LEU A 30 51.784 -14.047 -0.082 1.00 1.00 O ATOM 412 CB LEU A 30 52.938 -16.434 -1.883 1.00 1.00 C ATOM 413 CG LEU A 30 53.149 -17.101 -3.245 1.00 1.00 C ATOM 414 CD1 LEU A 30 53.198 -18.620 -3.068 1.00 1.00 C ATOM 415 CD2 LEU A 30 51.991 -16.736 -4.176 1.00 1.00 C ATOM 0 H LEU A 30 54.844 -14.690 -2.567 1.00 1.00 H new ATOM 0 HA LEU A 30 51.878 -14.685 -2.566 1.00 1.00 H new ATOM 0 HB2 LEU A 30 53.772 -16.665 -1.220 1.00 1.00 H new ATOM 0 HB3 LEU A 30 52.037 -16.826 -1.411 1.00 1.00 H new ATOM 0 HG LEU A 30 54.088 -16.754 -3.677 1.00 1.00 H new ATOM 0 HD11 LEU A 30 53.348 -19.095 -4.038 1.00 1.00 H new ATOM 0 HD12 LEU A 30 54.022 -18.883 -2.404 1.00 1.00 H new ATOM 0 HD13 LEU A 30 52.259 -18.966 -2.636 1.00 1.00 H new ATOM 0 HD21 LEU A 30 52.140 -17.210 -5.146 1.00 1.00 H new ATOM 0 HD22 LEU A 30 51.053 -17.083 -3.743 1.00 1.00 H new ATOM 0 HD23 LEU A 30 51.954 -15.654 -4.303 1.00 1.00 H new ATOM 427 N ILE A 31 54.022 -13.876 -0.233 1.00 1.00 N ATOM 428 CA ILE A 31 54.153 -13.218 1.061 1.00 1.00 C ATOM 429 C ILE A 31 53.771 -11.734 0.975 1.00 1.00 C ATOM 430 O ILE A 31 53.191 -11.192 1.916 1.00 1.00 O ATOM 431 CB ILE A 31 55.587 -13.378 1.591 1.00 1.00 C ATOM 432 CG1 ILE A 31 55.665 -14.648 2.442 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.978 -12.173 2.455 1.00 1.00 C ATOM 434 CD1 ILE A 31 55.198 -15.847 1.614 1.00 1.00 C ATOM 0 H ILE A 31 54.902 -14.025 -0.727 1.00 1.00 H new ATOM 0 HA ILE A 31 53.463 -13.696 1.757 1.00 1.00 H new ATOM 0 HB ILE A 31 56.272 -13.444 0.745 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.687 -14.806 2.786 1.00 1.00 H new ATOM 0 HG13 ILE A 31 55.043 -14.542 3.331 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.996 -12.303 2.822 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.921 -11.263 1.857 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.295 -12.095 3.301 1.00 1.00 H new ATOM 0 HD11 ILE A 31 55.254 -16.751 2.220 1.00 1.00 H new ATOM 0 HD12 ILE A 31 54.169 -15.688 1.292 1.00 1.00 H new ATOM 0 HD13 ILE A 31 55.839 -15.957 0.739 1.00 1.00 H new ATOM 446 N PRO A 32 54.075 -11.065 -0.114 1.00 1.00 N ATOM 447 CA PRO A 32 53.745 -9.627 -0.283 1.00 1.00 C ATOM 448 C PRO A 32 52.357 -9.420 -0.885 1.00 1.00 C ATOM 449 O PRO A 32 52.096 -8.402 -1.526 1.00 1.00 O ATOM 450 CB PRO A 32 54.833 -9.139 -1.236 1.00 1.00 C ATOM 451 CG PRO A 32 55.192 -10.326 -2.076 1.00 1.00 C ATOM 452 CD PRO A 32 54.763 -11.584 -1.306 1.00 1.00 C ATOM 0 HA PRO A 32 53.718 -9.089 0.665 1.00 1.00 H new ATOM 0 HB2 PRO A 32 54.473 -8.316 -1.853 1.00 1.00 H new ATOM 0 HB3 PRO A 32 55.699 -8.771 -0.687 1.00 1.00 H new ATOM 0 HG2 PRO A 32 54.690 -10.278 -3.042 1.00 1.00 H new ATOM 0 HG3 PRO A 32 56.264 -10.345 -2.275 1.00 1.00 H new ATOM 0 HD2 PRO A 32 54.102 -12.211 -1.905 1.00 1.00 H new ATOM 0 HD3 PRO A 32 55.623 -12.196 -1.034 1.00 1.00 H new ATOM 460 N ALA A 33 51.474 -10.391 -0.677 1.00 1.00 N ATOM 461 CA ALA A 33 50.119 -10.300 -1.208 1.00 1.00 C ATOM 462 C ALA A 33 49.102 -10.811 -0.192 1.00 1.00 C ATOM 463 O ALA A 33 47.944 -11.054 -0.529 1.00 1.00 O ATOM 464 CB ALA A 33 50.010 -11.121 -2.495 1.00 1.00 C ATOM 0 H ALA A 33 51.669 -11.242 -0.150 1.00 1.00 H new ATOM 0 HA ALA A 33 49.904 -9.253 -1.420 1.00 1.00 H new ATOM 0 HB1 ALA A 33 48.996 -11.049 -2.887 1.00 1.00 H new ATOM 0 HB2 ALA A 33 50.713 -10.735 -3.233 1.00 1.00 H new ATOM 0 HB3 ALA A 33 50.244 -12.164 -2.282 1.00 1.00 H new ATOM 470 N ILE A 34 49.541 -10.972 1.050 1.00 1.00 N ATOM 471 CA ILE A 34 48.657 -11.455 2.105 1.00 1.00 C ATOM 472 C ILE A 34 49.007 -10.803 3.438 1.00 1.00 C ATOM 473 O ILE A 34 48.127 -10.334 4.161 1.00 1.00 O ATOM 474 CB ILE A 34 48.776 -12.976 2.231 1.00 1.00 C ATOM 475 CG1 ILE A 34 48.686 -13.609 0.840 1.00 1.00 C ATOM 476 CG2 ILE A 34 47.638 -13.508 3.105 1.00 1.00 C ATOM 477 CD1 ILE A 34 48.616 -15.131 0.974 1.00 1.00 C ATOM 0 H ILE A 34 50.496 -10.777 1.351 1.00 1.00 H new ATOM 0 HA ILE A 34 47.632 -11.192 1.843 1.00 1.00 H new ATOM 0 HB ILE A 34 49.733 -13.229 2.687 1.00 1.00 H new ATOM 0 HG12 ILE A 34 47.804 -13.239 0.317 1.00 1.00 H new ATOM 0 HG13 ILE A 34 49.553 -13.326 0.243 1.00 1.00 H new ATOM 0 HG21 ILE A 34 47.723 -14.591 3.194 1.00 1.00 H new ATOM 0 HG22 ILE A 34 47.698 -13.056 4.095 1.00 1.00 H new ATOM 0 HG23 ILE A 34 46.681 -13.256 2.649 1.00 1.00 H new ATOM 0 HD11 ILE A 34 48.552 -15.581 -0.017 1.00 1.00 H new ATOM 0 HD12 ILE A 34 49.511 -15.493 1.480 1.00 1.00 H new ATOM 0 HD13 ILE A 34 47.735 -15.405 1.555 1.00 1.00 H new ATOM 489 N TYR A 35 50.297 -10.775 3.757 1.00 1.00 N ATOM 490 CA TYR A 35 50.750 -10.177 5.005 1.00 1.00 C ATOM 491 C TYR A 35 50.538 -8.666 4.984 1.00 1.00 C ATOM 492 O TYR A 35 50.927 -7.961 5.915 1.00 1.00 O ATOM 493 CB TYR A 35 52.233 -10.483 5.223 1.00 1.00 C ATOM 494 CG TYR A 35 52.371 -11.642 6.181 1.00 1.00 C ATOM 495 CD1 TYR A 35 52.087 -12.944 5.751 1.00 1.00 C ATOM 496 CD2 TYR A 35 52.781 -11.415 7.501 1.00 1.00 C ATOM 497 CE1 TYR A 35 52.213 -14.018 6.640 1.00 1.00 C ATOM 498 CE2 TYR A 35 52.908 -12.489 8.389 1.00 1.00 C ATOM 499 CZ TYR A 35 52.623 -13.791 7.959 1.00 1.00 C ATOM 500 OH TYR A 35 52.747 -14.850 8.835 1.00 1.00 O ATOM 0 H TYR A 35 51.041 -11.157 3.173 1.00 1.00 H new ATOM 0 HA TYR A 35 50.167 -10.603 5.822 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.709 -10.724 4.273 1.00 1.00 H new ATOM 0 HB3 TYR A 35 52.742 -9.605 5.621 1.00 1.00 H new ATOM 0 HD1 TYR A 35 51.771 -13.120 4.733 1.00 1.00 H new ATOM 0 HD2 TYR A 35 52.999 -10.411 7.833 1.00 1.00 H new ATOM 0 HE1 TYR A 35 51.994 -15.022 6.308 1.00 1.00 H new ATOM 0 HE2 TYR A 35 53.226 -12.314 9.406 1.00 1.00 H new ATOM 0 HH TYR A 35 53.042 -14.519 9.709 1.00 1.00 H new ATOM 510 N MET A 36 49.915 -8.178 3.915 1.00 1.00 N ATOM 511 CA MET A 36 49.654 -6.749 3.783 1.00 1.00 C ATOM 512 C MET A 36 48.227 -6.423 4.212 1.00 1.00 C ATOM 513 O MET A 36 48.011 -5.653 5.147 1.00 1.00 O ATOM 514 CB MET A 36 49.865 -6.313 2.332 1.00 1.00 C ATOM 515 CG MET A 36 51.353 -6.386 1.987 1.00 1.00 C ATOM 516 SD MET A 36 52.223 -5.007 2.774 1.00 1.00 S ATOM 517 CE MET A 36 53.894 -5.689 2.641 1.00 1.00 C ATOM 0 H MET A 36 49.584 -8.745 3.134 1.00 1.00 H new ATOM 0 HA MET A 36 50.347 -6.210 4.429 1.00 1.00 H new ATOM 0 HB2 MET A 36 49.294 -6.955 1.662 1.00 1.00 H new ATOM 0 HB3 MET A 36 49.498 -5.297 2.190 1.00 1.00 H new ATOM 0 HG2 MET A 36 51.770 -7.334 2.326 1.00 1.00 H new ATOM 0 HG3 MET A 36 51.489 -6.347 0.906 1.00 1.00 H new ATOM 0 HE1 MET A 36 54.608 -4.989 3.074 1.00 1.00 H new ATOM 0 HE2 MET A 36 53.944 -6.636 3.178 1.00 1.00 H new ATOM 0 HE3 MET A 36 54.137 -5.853 1.591 1.00 1.00 H new ATOM 527 N LEU A 37 47.258 -7.017 3.523 1.00 1.00 N ATOM 528 CA LEU A 37 45.855 -6.783 3.843 1.00 1.00 C ATOM 529 C LEU A 37 45.576 -7.123 5.302 1.00 1.00 C ATOM 530 O LEU A 37 44.475 -6.898 5.803 1.00 1.00 O ATOM 531 CB LEU A 37 44.961 -7.635 2.938 1.00 1.00 C ATOM 532 CG LEU A 37 45.373 -7.438 1.478 1.00 1.00 C ATOM 533 CD1 LEU A 37 44.466 -8.274 0.575 1.00 1.00 C ATOM 534 CD2 LEU A 37 45.239 -5.960 1.105 1.00 1.00 C ATOM 0 H LEU A 37 47.416 -7.659 2.746 1.00 1.00 H new ATOM 0 HA LEU A 37 45.636 -5.728 3.678 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.046 -8.687 3.212 1.00 1.00 H new ATOM 0 HB3 LEU A 37 43.917 -7.354 3.073 1.00 1.00 H new ATOM 0 HG LEU A 37 46.408 -7.754 1.347 1.00 1.00 H new ATOM 0 HD11 LEU A 37 44.759 -8.134 -0.465 1.00 1.00 H new ATOM 0 HD12 LEU A 37 44.560 -9.327 0.840 1.00 1.00 H new ATOM 0 HD13 LEU A 37 43.431 -7.958 0.706 1.00 1.00 H new ATOM 0 HD21 LEU A 37 45.533 -5.819 0.065 1.00 1.00 H new ATOM 0 HD22 LEU A 37 44.204 -5.644 1.236 1.00 1.00 H new ATOM 0 HD23 LEU A 37 45.885 -5.362 1.748 1.00 1.00 H new ATOM 546 N VAL A 38 46.582 -7.668 5.980 1.00 1.00 N ATOM 547 CA VAL A 38 46.435 -8.037 7.384 1.00 1.00 C ATOM 548 C VAL A 38 47.092 -6.993 8.281 1.00 1.00 C ATOM 549 O VAL A 38 46.451 -6.429 9.167 1.00 1.00 O ATOM 550 CB VAL A 38 47.074 -9.403 7.634 1.00 1.00 C ATOM 551 CG1 VAL A 38 46.870 -9.801 9.098 1.00 1.00 C ATOM 552 CG2 VAL A 38 46.417 -10.446 6.727 1.00 1.00 C ATOM 0 H VAL A 38 47.501 -7.863 5.583 1.00 1.00 H new ATOM 0 HA VAL A 38 45.372 -8.086 7.620 1.00 1.00 H new ATOM 0 HB VAL A 38 48.141 -9.351 7.416 1.00 1.00 H new ATOM 0 HG11 VAL A 38 47.325 -10.775 9.277 1.00 1.00 H new ATOM 0 HG12 VAL A 38 47.336 -9.058 9.745 1.00 1.00 H new ATOM 0 HG13 VAL A 38 45.803 -9.854 9.315 1.00 1.00 H new ATOM 0 HG21 VAL A 38 46.872 -11.421 6.904 1.00 1.00 H new ATOM 0 HG22 VAL A 38 45.350 -10.498 6.946 1.00 1.00 H new ATOM 0 HG23 VAL A 38 46.560 -10.163 5.684 1.00 1.00 H new ATOM 562 N PHE A 39 48.376 -6.743 8.045 1.00 1.00 N ATOM 563 CA PHE A 39 49.113 -5.766 8.837 1.00 1.00 C ATOM 564 C PHE A 39 48.263 -4.524 9.085 1.00 1.00 C ATOM 565 O PHE A 39 48.261 -3.970 10.184 1.00 1.00 O ATOM 566 CB PHE A 39 50.398 -5.368 8.109 1.00 1.00 C ATOM 567 CG PHE A 39 51.507 -5.169 9.114 1.00 1.00 C ATOM 568 CD1 PHE A 39 52.278 -6.261 9.531 1.00 1.00 C ATOM 569 CD2 PHE A 39 51.764 -3.893 9.629 1.00 1.00 C ATOM 570 CE1 PHE A 39 53.307 -6.077 10.462 1.00 1.00 C ATOM 571 CE2 PHE A 39 52.794 -3.709 10.561 1.00 1.00 C ATOM 572 CZ PHE A 39 53.565 -4.800 10.978 1.00 1.00 C ATOM 0 H PHE A 39 48.924 -7.200 7.317 1.00 1.00 H new ATOM 0 HA PHE A 39 49.363 -6.219 9.797 1.00 1.00 H new ATOM 0 HB2 PHE A 39 50.677 -6.141 7.393 1.00 1.00 H new ATOM 0 HB3 PHE A 39 50.238 -4.451 7.542 1.00 1.00 H new ATOM 0 HD1 PHE A 39 52.079 -7.245 9.134 1.00 1.00 H new ATOM 0 HD2 PHE A 39 51.169 -3.051 9.308 1.00 1.00 H new ATOM 0 HE1 PHE A 39 53.902 -6.919 10.783 1.00 1.00 H new ATOM 0 HE2 PHE A 39 52.993 -2.724 10.958 1.00 1.00 H new ATOM 0 HZ PHE A 39 54.358 -4.658 11.697 1.00 1.00 H new ATOM 582 N LEU A 40 47.541 -4.092 8.054 1.00 1.00 N ATOM 583 CA LEU A 40 46.689 -2.914 8.169 1.00 1.00 C ATOM 584 C LEU A 40 45.226 -3.320 8.305 1.00 1.00 C ATOM 585 O LEU A 40 44.357 -2.789 7.613 1.00 1.00 O ATOM 586 CB LEU A 40 46.862 -2.025 6.938 1.00 1.00 C ATOM 587 CG LEU A 40 48.284 -1.463 6.909 1.00 1.00 C ATOM 588 CD1 LEU A 40 48.812 -1.480 5.474 1.00 1.00 C ATOM 589 CD2 LEU A 40 48.274 -0.023 7.430 1.00 1.00 C ATOM 0 H LEU A 40 47.529 -4.537 7.136 1.00 1.00 H new ATOM 0 HA LEU A 40 46.983 -2.361 9.061 1.00 1.00 H new ATOM 0 HB2 LEU A 40 46.668 -2.599 6.032 1.00 1.00 H new ATOM 0 HB3 LEU A 40 46.138 -1.210 6.960 1.00 1.00 H new ATOM 0 HG LEU A 40 48.928 -2.075 7.540 1.00 1.00 H new ATOM 0 HD11 LEU A 40 49.825 -1.079 5.454 1.00 1.00 H new ATOM 0 HD12 LEU A 40 48.820 -2.504 5.101 1.00 1.00 H new ATOM 0 HD13 LEU A 40 48.168 -0.869 4.842 1.00 1.00 H new ATOM 0 HD21 LEU A 40 49.287 0.378 7.410 1.00 1.00 H new ATOM 0 HD22 LEU A 40 47.629 0.588 6.798 1.00 1.00 H new ATOM 0 HD23 LEU A 40 47.899 -0.009 8.453 1.00 1.00 H new ATOM 601 N LEU A 41 44.959 -4.264 9.202 1.00 1.00 N ATOM 602 CA LEU A 41 43.595 -4.733 9.421 1.00 1.00 C ATOM 603 C LEU A 41 43.516 -5.556 10.703 1.00 1.00 C ATOM 604 O LEU A 41 42.777 -5.217 11.626 1.00 1.00 O ATOM 605 CB LEU A 41 43.142 -5.579 8.224 1.00 1.00 C ATOM 606 CG LEU A 41 41.805 -6.269 8.530 1.00 1.00 C ATOM 607 CD1 LEU A 41 40.795 -5.245 9.053 1.00 1.00 C ATOM 608 CD2 LEU A 41 41.260 -6.900 7.246 1.00 1.00 C ATOM 0 H LEU A 41 45.663 -4.716 9.785 1.00 1.00 H new ATOM 0 HA LEU A 41 42.936 -3.871 9.522 1.00 1.00 H new ATOM 0 HB2 LEU A 41 43.038 -4.947 7.342 1.00 1.00 H new ATOM 0 HB3 LEU A 41 43.900 -6.327 7.992 1.00 1.00 H new ATOM 0 HG LEU A 41 41.963 -7.037 9.287 1.00 1.00 H new ATOM 0 HD11 LEU A 41 39.850 -5.743 9.267 1.00 1.00 H new ATOM 0 HD12 LEU A 41 41.179 -4.788 9.965 1.00 1.00 H new ATOM 0 HD13 LEU A 41 40.636 -4.473 8.300 1.00 1.00 H new ATOM 0 HD21 LEU A 41 40.310 -7.392 7.457 1.00 1.00 H new ATOM 0 HD22 LEU A 41 41.108 -6.124 6.495 1.00 1.00 H new ATOM 0 HD23 LEU A 41 41.973 -7.634 6.870 1.00 1.00 H new ATOM 620 N GLY A 42 44.283 -6.641 10.751 1.00 1.00 N ATOM 621 CA GLY A 42 44.291 -7.508 11.923 1.00 1.00 C ATOM 622 C GLY A 42 45.019 -6.848 13.091 1.00 1.00 C ATOM 623 O GLY A 42 45.353 -7.505 14.076 1.00 1.00 O ATOM 0 H GLY A 42 44.903 -6.939 9.997 1.00 1.00 H new ATOM 0 HA2 GLY A 42 43.267 -7.741 12.214 1.00 1.00 H new ATOM 0 HA3 GLY A 42 44.775 -8.453 11.676 1.00 1.00 H new ATOM 627 N THR A 43 45.261 -5.546 12.974 1.00 1.00 N ATOM 628 CA THR A 43 45.950 -4.812 14.030 1.00 1.00 C ATOM 629 C THR A 43 45.912 -3.312 13.757 1.00 1.00 C ATOM 630 O THR A 43 45.572 -2.521 14.636 1.00 1.00 O ATOM 631 CB THR A 43 47.404 -5.279 14.129 1.00 1.00 C ATOM 632 OG1 THR A 43 48.062 -4.557 15.160 1.00 1.00 O ATOM 633 CG2 THR A 43 48.114 -5.032 12.797 1.00 1.00 C ATOM 0 H THR A 43 44.993 -4.982 12.167 1.00 1.00 H new ATOM 0 HA THR A 43 45.440 -5.009 14.973 1.00 1.00 H new ATOM 0 HB THR A 43 47.429 -6.344 14.358 1.00 1.00 H new ATOM 0 HG1 THR A 43 48.906 -4.195 14.819 1.00 1.00 H new ATOM 0 HG21 THR A 43 49.149 -5.365 12.869 1.00 1.00 H new ATOM 0 HG22 THR A 43 47.609 -5.587 12.007 1.00 1.00 H new ATOM 0 HG23 THR A 43 48.091 -3.967 12.564 1.00 1.00 H new ATOM 641 N THR A 44 46.264 -2.928 12.535 1.00 1.00 N ATOM 642 CA THR A 44 46.267 -1.518 12.160 1.00 1.00 C ATOM 643 C THR A 44 47.040 -0.695 13.184 1.00 1.00 C ATOM 644 O THR A 44 46.999 0.535 13.165 1.00 1.00 O ATOM 645 CB THR A 44 44.830 -0.998 12.066 1.00 1.00 C ATOM 646 OG1 THR A 44 44.458 -0.417 13.308 1.00 1.00 O ATOM 647 CG2 THR A 44 43.885 -2.154 11.737 1.00 1.00 C ATOM 0 H THR A 44 46.549 -3.567 11.792 1.00 1.00 H new ATOM 0 HA THR A 44 46.752 -1.421 11.189 1.00 1.00 H new ATOM 0 HB THR A 44 44.766 -0.247 11.278 1.00 1.00 H new ATOM 0 HG1 THR A 44 43.483 -0.329 13.349 1.00 1.00 H new ATOM 0 HG21 THR A 44 42.863 -1.781 11.671 1.00 1.00 H new ATOM 0 HG22 THR A 44 44.172 -2.598 10.784 1.00 1.00 H new ATOM 0 HG23 THR A 44 43.946 -2.908 12.522 1.00 1.00 H new ATOM 655 N GLY A 45 47.745 -1.381 14.077 1.00 1.00 N ATOM 656 CA GLY A 45 48.523 -0.703 15.106 1.00 1.00 C ATOM 657 C GLY A 45 47.698 -0.516 16.374 1.00 1.00 C ATOM 658 O GLY A 45 48.227 -0.142 17.422 1.00 1.00 O ATOM 0 H GLY A 45 47.794 -2.399 14.109 1.00 1.00 H new ATOM 0 HA2 GLY A 45 49.419 -1.282 15.332 1.00 1.00 H new ATOM 0 HA3 GLY A 45 48.855 0.267 14.737 1.00 1.00 H new ATOM 662 N ASN A 46 46.399 -0.779 16.273 1.00 1.00 N ATOM 663 CA ASN A 46 45.509 -0.636 17.419 1.00 1.00 C ATOM 664 C ASN A 46 45.678 -1.811 18.377 1.00 1.00 C ATOM 665 O ASN A 46 45.176 -1.787 19.500 1.00 1.00 O ATOM 666 CB ASN A 46 44.055 -0.566 16.946 1.00 1.00 C ATOM 667 CG ASN A 46 43.868 0.622 16.009 1.00 1.00 C ATOM 668 OD1 ASN A 46 43.008 0.540 15.030 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 44.522 1.652 16.172 1.00 1.00 N flip ATOM 0 H ASN A 46 45.942 -1.090 15.416 1.00 1.00 H new ATOM 0 HA ASN A 46 45.765 0.285 17.942 1.00 1.00 H new ATOM 0 HB2 ASN A 46 43.786 -1.490 16.434 1.00 1.00 H new ATOM 0 HB3 ASN A 46 43.389 -0.472 17.804 1.00 1.00 H new ATOM 0 HD21 ASN A 46 45.193 1.714 16.937 1.00 1.00 H new ATOM 0 HD22 ASN A 46 44.393 2.443 15.542 1.00 1.00 H new ATOM 676 N GLY A 47 46.388 -2.839 17.923 1.00 1.00 N ATOM 677 CA GLY A 47 46.618 -4.019 18.747 1.00 1.00 C ATOM 678 C GLY A 47 47.867 -3.848 19.604 1.00 1.00 C ATOM 679 O GLY A 47 48.081 -4.595 20.558 1.00 1.00 O ATOM 0 H GLY A 47 46.811 -2.879 16.996 1.00 1.00 H new ATOM 0 HA2 GLY A 47 45.754 -4.194 19.388 1.00 1.00 H new ATOM 0 HA3 GLY A 47 46.726 -4.897 18.110 1.00 1.00 H new ATOM 683 N LEU A 48 48.688 -2.861 19.252 1.00 1.00 N ATOM 684 CA LEU A 48 49.918 -2.592 19.991 1.00 1.00 C ATOM 685 C LEU A 48 49.889 -1.186 20.582 1.00 1.00 C ATOM 686 O LEU A 48 50.931 -0.627 20.926 1.00 1.00 O ATOM 687 CB LEU A 48 51.138 -2.733 19.070 1.00 1.00 C ATOM 688 CG LEU A 48 50.698 -3.174 17.670 1.00 1.00 C ATOM 689 CD1 LEU A 48 51.915 -3.207 16.744 1.00 1.00 C ATOM 690 CD2 LEU A 48 50.082 -4.573 17.744 1.00 1.00 C ATOM 0 H LEU A 48 48.524 -2.237 18.462 1.00 1.00 H new ATOM 0 HA LEU A 48 49.993 -3.319 20.800 1.00 1.00 H new ATOM 0 HB2 LEU A 48 51.669 -1.783 19.010 1.00 1.00 H new ATOM 0 HB3 LEU A 48 51.834 -3.461 19.486 1.00 1.00 H new ATOM 0 HG LEU A 48 49.960 -2.471 17.283 1.00 1.00 H new ATOM 0 HD11 LEU A 48 51.605 -3.520 15.747 1.00 1.00 H new ATOM 0 HD12 LEU A 48 52.358 -2.213 16.690 1.00 1.00 H new ATOM 0 HD13 LEU A 48 52.650 -3.911 17.134 1.00 1.00 H new ATOM 0 HD21 LEU A 48 49.769 -4.886 16.748 1.00 1.00 H new ATOM 0 HD22 LEU A 48 50.820 -5.276 18.130 1.00 1.00 H new ATOM 0 HD23 LEU A 48 49.217 -4.555 18.407 1.00 1.00 H new ATOM 702 N VAL A 49 48.688 -0.622 20.695 1.00 1.00 N ATOM 703 CA VAL A 49 48.527 0.722 21.243 1.00 1.00 C ATOM 704 C VAL A 49 47.695 0.690 22.521 1.00 1.00 C ATOM 705 O VAL A 49 48.142 1.146 23.574 1.00 1.00 O ATOM 706 CB VAL A 49 47.842 1.624 20.216 1.00 1.00 C ATOM 707 CG1 VAL A 49 47.405 2.926 20.889 1.00 1.00 C ATOM 708 CG2 VAL A 49 48.821 1.941 19.083 1.00 1.00 C ATOM 0 H VAL A 49 47.817 -1.073 20.416 1.00 1.00 H new ATOM 0 HA VAL A 49 49.516 1.115 21.477 1.00 1.00 H new ATOM 0 HB VAL A 49 46.968 1.114 19.811 1.00 1.00 H new ATOM 0 HG11 VAL A 49 46.917 3.568 20.156 1.00 1.00 H new ATOM 0 HG12 VAL A 49 46.708 2.702 21.697 1.00 1.00 H new ATOM 0 HG13 VAL A 49 48.278 3.437 21.295 1.00 1.00 H new ATOM 0 HG21 VAL A 49 48.334 2.584 18.350 1.00 1.00 H new ATOM 0 HG22 VAL A 49 49.695 2.451 19.489 1.00 1.00 H new ATOM 0 HG23 VAL A 49 49.133 1.014 18.602 1.00 1.00 H new ATOM 718 N LEU A 50 46.483 0.155 22.421 1.00 1.00 N ATOM 719 CA LEU A 50 45.597 0.076 23.577 1.00 1.00 C ATOM 720 C LEU A 50 45.836 -1.214 24.356 1.00 1.00 C ATOM 721 O LEU A 50 45.755 -1.232 25.585 1.00 1.00 O ATOM 722 CB LEU A 50 44.138 0.136 23.120 1.00 1.00 C ATOM 723 CG LEU A 50 43.850 -1.026 22.169 1.00 1.00 C ATOM 724 CD1 LEU A 50 43.056 -2.107 22.906 1.00 1.00 C ATOM 725 CD2 LEU A 50 43.032 -0.518 20.978 1.00 1.00 C ATOM 0 H LEU A 50 46.094 -0.227 21.559 1.00 1.00 H new ATOM 0 HA LEU A 50 45.810 0.922 24.230 1.00 1.00 H new ATOM 0 HB2 LEU A 50 43.474 0.086 23.983 1.00 1.00 H new ATOM 0 HB3 LEU A 50 43.941 1.085 22.621 1.00 1.00 H new ATOM 0 HG LEU A 50 44.791 -1.446 21.814 1.00 1.00 H new ATOM 0 HD11 LEU A 50 42.851 -2.935 22.227 1.00 1.00 H new ATOM 0 HD12 LEU A 50 43.636 -2.469 23.755 1.00 1.00 H new ATOM 0 HD13 LEU A 50 42.115 -1.688 23.262 1.00 1.00 H new ATOM 0 HD21 LEU A 50 42.826 -1.345 20.299 1.00 1.00 H new ATOM 0 HD22 LEU A 50 42.091 -0.099 21.335 1.00 1.00 H new ATOM 0 HD23 LEU A 50 43.596 0.252 20.451 1.00 1.00 H new ATOM 737 N TRP A 51 46.132 -2.290 23.635 1.00 1.00 N ATOM 738 CA TRP A 51 46.380 -3.579 24.272 1.00 1.00 C ATOM 739 C TRP A 51 47.771 -3.607 24.899 1.00 1.00 C ATOM 740 O TRP A 51 47.950 -4.103 26.011 1.00 1.00 O ATOM 741 CB TRP A 51 46.256 -4.702 23.242 1.00 1.00 C ATOM 742 CG TRP A 51 47.222 -5.796 23.569 1.00 1.00 C ATOM 743 CD1 TRP A 51 48.529 -5.810 23.216 1.00 1.00 C ATOM 744 CD2 TRP A 51 46.983 -7.032 24.303 1.00 1.00 C ATOM 745 NE1 TRP A 51 49.106 -6.976 23.686 1.00 1.00 N ATOM 746 CE2 TRP A 51 48.194 -7.761 24.363 1.00 1.00 C ATOM 747 CE3 TRP A 51 45.845 -7.585 24.917 1.00 1.00 C ATOM 748 CZ2 TRP A 51 48.272 -8.996 25.009 1.00 1.00 C ATOM 749 CZ3 TRP A 51 45.920 -8.826 25.568 1.00 1.00 C ATOM 750 CH2 TRP A 51 47.132 -9.531 25.613 1.00 1.00 C ATOM 0 H TRP A 51 46.206 -2.297 22.618 1.00 1.00 H new ATOM 0 HA TRP A 51 45.638 -3.726 25.057 1.00 1.00 H new ATOM 0 HB2 TRP A 51 45.238 -5.092 23.236 1.00 1.00 H new ATOM 0 HB3 TRP A 51 46.455 -4.315 22.243 1.00 1.00 H new ATOM 0 HD1 TRP A 51 49.038 -5.037 22.659 1.00 1.00 H new ATOM 0 HE1 TRP A 51 50.086 -7.225 23.549 1.00 1.00 H new ATOM 0 HE3 TRP A 51 44.907 -7.051 24.887 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 49.208 -9.534 25.042 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 45.040 -9.241 26.037 1.00 1.00 H new ATOM 0 HH2 TRP A 51 47.183 -10.486 26.114 1.00 1.00 H new ATOM 761 N THR A 52 48.751 -3.072 24.178 1.00 1.00 N ATOM 762 CA THR A 52 50.121 -3.042 24.674 1.00 1.00 C ATOM 763 C THR A 52 50.153 -2.575 26.127 1.00 1.00 C ATOM 764 O THR A 52 51.110 -2.844 26.854 1.00 1.00 O ATOM 765 CB THR A 52 50.968 -2.100 23.816 1.00 1.00 C ATOM 766 OG1 THR A 52 52.342 -2.281 24.130 1.00 1.00 O ATOM 767 CG2 THR A 52 50.565 -0.651 24.095 1.00 1.00 C ATOM 0 H THR A 52 48.623 -2.656 23.255 1.00 1.00 H new ATOM 0 HA THR A 52 50.530 -4.051 24.617 1.00 1.00 H new ATOM 0 HB THR A 52 50.804 -2.323 22.762 1.00 1.00 H new ATOM 0 HG1 THR A 52 52.885 -1.679 23.580 1.00 1.00 H new ATOM 0 HG21 THR A 52 51.169 0.019 23.483 1.00 1.00 H new ATOM 0 HG22 THR A 52 49.511 -0.513 23.852 1.00 1.00 H new ATOM 0 HG23 THR A 52 50.727 -0.425 25.149 1.00 1.00 H new ATOM 775 N VAL A 53 49.103 -1.876 26.541 1.00 1.00 N ATOM 776 CA VAL A 53 49.021 -1.377 27.909 1.00 1.00 C ATOM 777 C VAL A 53 48.763 -2.522 28.883 1.00 1.00 C ATOM 778 O VAL A 53 49.462 -2.667 29.886 1.00 1.00 O ATOM 779 CB VAL A 53 47.897 -0.346 28.023 1.00 1.00 C ATOM 780 CG1 VAL A 53 47.854 0.210 29.448 1.00 1.00 C ATOM 781 CG2 VAL A 53 48.154 0.799 27.039 1.00 1.00 C ATOM 0 H VAL A 53 48.302 -1.643 25.954 1.00 1.00 H new ATOM 0 HA VAL A 53 49.972 -0.907 28.161 1.00 1.00 H new ATOM 0 HB VAL A 53 46.944 -0.822 27.790 1.00 1.00 H new ATOM 0 HG11 VAL A 53 47.053 0.945 29.528 1.00 1.00 H new ATOM 0 HG12 VAL A 53 47.672 -0.603 30.151 1.00 1.00 H new ATOM 0 HG13 VAL A 53 48.807 0.685 29.682 1.00 1.00 H new ATOM 0 HG21 VAL A 53 47.353 1.534 27.119 1.00 1.00 H new ATOM 0 HG22 VAL A 53 49.107 1.273 27.273 1.00 1.00 H new ATOM 0 HG23 VAL A 53 48.185 0.406 26.023 1.00 1.00 H new ATOM 791 N PHE A 54 47.754 -3.333 28.580 1.00 1.00 N ATOM 792 CA PHE A 54 47.412 -4.462 29.437 1.00 1.00 C ATOM 793 C PHE A 54 48.518 -5.514 29.404 1.00 1.00 C ATOM 794 O PHE A 54 48.538 -6.433 30.223 1.00 1.00 O ATOM 795 CB PHE A 54 46.095 -5.089 28.975 1.00 1.00 C ATOM 796 CG PHE A 54 44.993 -4.703 29.931 1.00 1.00 C ATOM 797 CD1 PHE A 54 44.416 -3.430 29.858 1.00 1.00 C ATOM 798 CD2 PHE A 54 44.547 -5.620 30.891 1.00 1.00 C ATOM 799 CE1 PHE A 54 43.394 -3.073 30.745 1.00 1.00 C ATOM 800 CE2 PHE A 54 43.525 -5.262 31.779 1.00 1.00 C ATOM 801 CZ PHE A 54 42.948 -3.988 31.706 1.00 1.00 C ATOM 0 H PHE A 54 47.164 -3.231 27.755 1.00 1.00 H new ATOM 0 HA PHE A 54 47.302 -4.098 30.459 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.852 -4.751 27.968 1.00 1.00 H new ATOM 0 HB3 PHE A 54 46.191 -6.174 28.933 1.00 1.00 H new ATOM 0 HD1 PHE A 54 44.759 -2.723 29.117 1.00 1.00 H new ATOM 0 HD2 PHE A 54 44.991 -6.603 30.946 1.00 1.00 H new ATOM 0 HE1 PHE A 54 42.949 -2.091 30.688 1.00 1.00 H new ATOM 0 HE2 PHE A 54 43.182 -5.968 32.520 1.00 1.00 H new ATOM 0 HZ PHE A 54 42.160 -3.712 32.391 1.00 1.00 H new ATOM 811 N ARG A 55 49.435 -5.371 28.453 1.00 1.00 N ATOM 812 CA ARG A 55 50.540 -6.313 28.324 1.00 1.00 C ATOM 813 C ARG A 55 51.819 -5.724 28.912 1.00 1.00 C ATOM 814 O ARG A 55 52.633 -6.441 29.494 1.00 1.00 O ATOM 815 CB ARG A 55 50.766 -6.656 26.850 1.00 1.00 C ATOM 816 CG ARG A 55 51.716 -7.850 26.743 1.00 1.00 C ATOM 817 CD ARG A 55 51.956 -8.181 25.269 1.00 1.00 C ATOM 818 NE ARG A 55 53.387 -8.220 24.987 1.00 1.00 N ATOM 819 CZ ARG A 55 53.847 -8.083 23.748 1.00 1.00 C ATOM 820 NH1 ARG A 55 53.015 -7.911 22.757 1.00 1.00 N ATOM 821 NH2 ARG A 55 55.131 -8.123 23.521 1.00 1.00 N ATOM 0 H ARG A 55 49.435 -4.618 27.765 1.00 1.00 H new ATOM 0 HA ARG A 55 50.284 -7.219 28.873 1.00 1.00 H new ATOM 0 HB2 ARG A 55 49.816 -6.890 26.370 1.00 1.00 H new ATOM 0 HB3 ARG A 55 51.185 -5.797 26.326 1.00 1.00 H new ATOM 0 HG2 ARG A 55 52.662 -7.621 27.234 1.00 1.00 H new ATOM 0 HG3 ARG A 55 51.292 -8.713 27.256 1.00 1.00 H new ATOM 0 HD2 ARG A 55 51.504 -9.143 25.027 1.00 1.00 H new ATOM 0 HD3 ARG A 55 51.474 -7.434 24.638 1.00 1.00 H new ATOM 0 HE ARG A 55 54.046 -8.355 25.754 1.00 1.00 H new ATOM 0 HH11 ARG A 55 52.011 -7.882 22.933 1.00 1.00 H new ATOM 0 HH12 ARG A 55 53.369 -7.806 21.806 1.00 1.00 H new ATOM 0 HH21 ARG A 55 55.782 -8.259 24.295 1.00 1.00 H new ATOM 0 HH22 ARG A 55 55.484 -8.018 22.570 1.00 1.00 H new ATOM 835 N LYS A 56 51.987 -4.415 28.756 1.00 1.00 N ATOM 836 CA LYS A 56 53.170 -3.740 29.278 1.00 1.00 C ATOM 837 C LYS A 56 53.388 -4.097 30.744 1.00 1.00 C ATOM 838 O LYS A 56 54.518 -4.321 31.177 1.00 1.00 O ATOM 839 CB LYS A 56 53.011 -2.225 29.136 1.00 1.00 C ATOM 840 CG LYS A 56 53.671 -1.761 27.836 1.00 1.00 C ATOM 841 CD LYS A 56 53.149 -0.370 27.467 1.00 1.00 C ATOM 842 CE LYS A 56 53.870 0.130 26.214 1.00 1.00 C ATOM 843 NZ LYS A 56 55.004 1.010 26.611 1.00 1.00 N ATOM 0 H LYS A 56 51.325 -3.805 28.277 1.00 1.00 H new ATOM 0 HA LYS A 56 54.036 -4.069 28.705 1.00 1.00 H new ATOM 0 HB2 LYS A 56 51.954 -1.958 29.135 1.00 1.00 H new ATOM 0 HB3 LYS A 56 53.466 -1.720 29.988 1.00 1.00 H new ATOM 0 HG2 LYS A 56 54.754 -1.735 27.955 1.00 1.00 H new ATOM 0 HG3 LYS A 56 53.455 -2.467 27.034 1.00 1.00 H new ATOM 0 HD2 LYS A 56 52.074 -0.409 27.290 1.00 1.00 H new ATOM 0 HD3 LYS A 56 53.311 0.322 28.293 1.00 1.00 H new ATOM 0 HE2 LYS A 56 54.238 -0.715 25.632 1.00 1.00 H new ATOM 0 HE3 LYS A 56 53.176 0.678 25.577 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 55.494 1.350 25.759 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 54.641 1.823 27.149 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 55.670 0.473 27.202 1.00 1.00 H new ATOM 857 N LYS A 57 52.298 -4.146 31.504 1.00 1.00 N ATOM 858 CA LYS A 57 52.382 -4.476 32.921 1.00 1.00 C ATOM 859 C LYS A 57 53.030 -5.843 33.116 1.00 1.00 C ATOM 860 O LYS A 57 53.492 -6.172 34.209 1.00 1.00 O ATOM 861 CB LYS A 57 50.983 -4.479 33.541 1.00 1.00 C ATOM 862 CG LYS A 57 50.272 -3.166 33.205 1.00 1.00 C ATOM 863 CD LYS A 57 48.900 -3.141 33.879 1.00 1.00 C ATOM 864 CE LYS A 57 48.017 -2.090 33.204 1.00 1.00 C ATOM 865 NZ LYS A 57 46.671 -2.087 33.841 1.00 1.00 N ATOM 0 H LYS A 57 51.354 -3.963 31.165 1.00 1.00 H new ATOM 0 HA LYS A 57 52.996 -3.722 33.414 1.00 1.00 H new ATOM 0 HB2 LYS A 57 50.408 -5.324 33.162 1.00 1.00 H new ATOM 0 HB3 LYS A 57 51.053 -4.601 34.622 1.00 1.00 H new ATOM 0 HG2 LYS A 57 50.870 -2.320 33.543 1.00 1.00 H new ATOM 0 HG3 LYS A 57 50.160 -3.067 32.125 1.00 1.00 H new ATOM 0 HD2 LYS A 57 48.432 -4.123 33.810 1.00 1.00 H new ATOM 0 HD3 LYS A 57 49.008 -2.913 34.939 1.00 1.00 H new ATOM 0 HE2 LYS A 57 48.475 -1.105 33.292 1.00 1.00 H new ATOM 0 HE3 LYS A 57 47.926 -2.305 32.139 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 46.071 -1.372 33.382 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 46.235 -3.025 33.735 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 46.766 -1.862 34.852 1.00 1.00 H new ATOM 879 N GLY A 58 53.059 -6.636 32.050 1.00 1.00 N ATOM 880 CA GLY A 58 53.653 -7.966 32.116 1.00 1.00 C ATOM 881 C GLY A 58 54.134 -8.417 30.741 1.00 1.00 C ATOM 882 O GLY A 58 53.489 -9.234 30.085 1.00 1.00 O ATOM 0 H GLY A 58 52.681 -6.383 31.137 1.00 1.00 H new ATOM 0 HA2 GLY A 58 54.490 -7.960 32.814 1.00 1.00 H new ATOM 0 HA3 GLY A 58 52.921 -8.677 32.501 1.00 1.00 H new ATOM 886 N HIS A 59 55.270 -7.878 30.311 1.00 1.00 N ATOM 887 CA HIS A 59 55.829 -8.234 29.012 1.00 1.00 C ATOM 888 C HIS A 59 55.732 -9.737 28.780 1.00 1.00 C ATOM 889 O HIS A 59 55.593 -10.193 27.645 1.00 1.00 O ATOM 890 CB HIS A 59 57.293 -7.797 28.935 1.00 1.00 C ATOM 891 CG HIS A 59 57.468 -6.823 27.802 1.00 1.00 C ATOM 892 ND1 HIS A 59 58.452 -6.980 26.839 1.00 1.00 N ATOM 893 CD2 HIS A 59 56.792 -5.677 27.463 1.00 1.00 C ATOM 894 CE1 HIS A 59 58.343 -5.954 25.975 1.00 1.00 C ATOM 895 NE2 HIS A 59 57.347 -5.129 26.310 1.00 1.00 N ATOM 0 H HIS A 59 55.818 -7.198 30.838 1.00 1.00 H new ATOM 0 HA HIS A 59 55.256 -7.721 28.239 1.00 1.00 H new ATOM 0 HB2 HIS A 59 57.596 -7.336 29.875 1.00 1.00 H new ATOM 0 HB3 HIS A 59 57.935 -8.665 28.785 1.00 1.00 H new ATOM 0 HD2 HIS A 59 55.956 -5.263 28.008 1.00 1.00 H new ATOM 0 HE1 HIS A 59 58.982 -5.815 25.116 1.00 1.00 H new ATOM 0 HE2 HIS A 59 57.056 -4.280 25.825 1.00 1.00 H new ATOM 903 N HIS A 60 55.808 -10.504 29.863 1.00 1.00 N ATOM 904 CA HIS A 60 55.727 -11.957 29.765 1.00 1.00 C ATOM 905 C HIS A 60 55.125 -12.547 31.036 1.00 1.00 C ATOM 906 O HIS A 60 54.145 -13.290 30.984 1.00 1.00 O ATOM 907 CB HIS A 60 57.122 -12.543 29.540 1.00 1.00 C ATOM 908 CG HIS A 60 57.324 -13.722 30.451 1.00 1.00 C ATOM 909 ND1 HIS A 60 57.816 -13.821 31.730 1.00 1.00 N flip ATOM 910 CD2 HIS A 60 57.000 -15.015 30.070 1.00 1.00 C flip ATOM 911 CE1 HIS A 60 57.798 -15.151 32.137 1.00 1.00 C flip ATOM 912 NE2 HIS A 60 57.297 -15.828 31.101 1.00 1.00 N flip ATOM 0 H HIS A 60 55.925 -10.147 30.811 1.00 1.00 H new ATOM 0 HA HIS A 60 55.085 -12.210 28.921 1.00 1.00 H new ATOM 0 HB2 HIS A 60 57.236 -12.850 28.500 1.00 1.00 H new ATOM 0 HB3 HIS A 60 57.882 -11.786 29.734 1.00 1.00 H new ATOM 0 HD2 HIS A 60 56.585 -15.315 29.119 1.00 1.00 H new ATOM 0 HE1 HIS A 60 58.120 -15.550 33.087 1.00 1.00 H new ATOM 0 HE2 HIS A 60 57.156 -16.838 31.092 1.00 1.00 H new ATOM 920 N HIS A 61 55.717 -12.210 32.178 1.00 1.00 N ATOM 921 CA HIS A 61 55.231 -12.712 33.457 1.00 1.00 C ATOM 922 C HIS A 61 55.940 -12.012 34.613 1.00 1.00 C ATOM 923 O HIS A 61 57.101 -12.295 34.903 1.00 1.00 O ATOM 924 CB HIS A 61 55.467 -14.221 33.551 1.00 1.00 C ATOM 925 CG HIS A 61 54.368 -14.851 34.360 1.00 1.00 C ATOM 926 ND1 HIS A 61 54.628 -15.668 35.450 1.00 1.00 N ATOM 927 CD2 HIS A 61 53.000 -14.795 34.251 1.00 1.00 C ATOM 928 CE1 HIS A 61 53.443 -16.067 35.950 1.00 1.00 C ATOM 929 NE2 HIS A 61 52.419 -15.564 35.256 1.00 1.00 N ATOM 0 H HIS A 61 56.529 -11.596 32.243 1.00 1.00 H new ATOM 0 HA HIS A 61 54.163 -12.507 33.523 1.00 1.00 H new ATOM 0 HB2 HIS A 61 55.495 -14.658 32.553 1.00 1.00 H new ATOM 0 HB3 HIS A 61 56.434 -14.421 34.013 1.00 1.00 H new ATOM 0 HD2 HIS A 61 52.458 -14.239 33.500 1.00 1.00 H new ATOM 0 HE1 HIS A 61 53.334 -16.715 36.807 1.00 1.00 H new ATOM 0 HE2 HIS A 61 51.424 -15.712 35.426 1.00 1.00 H new ATOM 937 N HIS A 62 55.232 -11.097 35.266 1.00 1.00 N ATOM 938 CA HIS A 62 55.804 -10.362 36.389 1.00 1.00 C ATOM 939 C HIS A 62 56.044 -11.294 37.573 1.00 1.00 C ATOM 940 O HIS A 62 57.120 -11.288 38.172 1.00 1.00 O ATOM 941 CB HIS A 62 54.862 -9.232 36.809 1.00 1.00 C ATOM 942 CG HIS A 62 55.669 -8.039 37.241 1.00 1.00 C ATOM 943 ND1 HIS A 62 55.174 -6.747 37.173 1.00 1.00 N ATOM 944 CD2 HIS A 62 56.940 -7.927 37.749 1.00 1.00 C ATOM 945 CE1 HIS A 62 56.132 -5.920 37.629 1.00 1.00 C ATOM 946 NE2 HIS A 62 57.230 -6.588 37.993 1.00 1.00 N ATOM 0 H HIS A 62 54.269 -10.848 35.040 1.00 1.00 H new ATOM 0 HA HIS A 62 56.758 -9.940 36.074 1.00 1.00 H new ATOM 0 HB2 HIS A 62 54.209 -8.961 35.979 1.00 1.00 H new ATOM 0 HB3 HIS A 62 54.220 -9.564 37.625 1.00 1.00 H new ATOM 0 HD2 HIS A 62 57.612 -8.752 37.931 1.00 1.00 H new ATOM 0 HE1 HIS A 62 56.026 -4.847 37.693 1.00 1.00 H new ATOM 0 HE2 HIS A 62 58.095 -6.200 38.369 1.00 1.00 H new ATOM 954 N HIS A 63 55.035 -12.092 37.905 1.00 1.00 N ATOM 955 CA HIS A 63 55.147 -13.026 39.019 1.00 1.00 C ATOM 956 C HIS A 63 55.841 -12.363 40.205 1.00 1.00 C ATOM 957 O HIS A 63 56.904 -12.807 40.642 1.00 1.00 O ATOM 958 CB HIS A 63 55.938 -14.262 38.587 1.00 1.00 C ATOM 959 CG HIS A 63 55.898 -15.291 39.683 1.00 1.00 C ATOM 960 ND1 HIS A 63 57.030 -15.971 40.101 1.00 1.00 N ATOM 961 CD2 HIS A 63 54.868 -15.767 40.457 1.00 1.00 C ATOM 962 CE1 HIS A 63 56.660 -16.812 41.085 1.00 1.00 C ATOM 963 NE2 HIS A 63 55.352 -16.727 41.341 1.00 1.00 N ATOM 0 H HIS A 63 54.137 -12.111 37.423 1.00 1.00 H new ATOM 0 HA HIS A 63 54.143 -13.326 39.321 1.00 1.00 H new ATOM 0 HB2 HIS A 63 55.516 -14.675 37.670 1.00 1.00 H new ATOM 0 HB3 HIS A 63 56.970 -13.988 38.368 1.00 1.00 H new ATOM 0 HD2 HIS A 63 53.839 -15.445 40.390 1.00 1.00 H new ATOM 0 HE1 HIS A 63 57.338 -17.474 41.604 1.00 1.00 H new ATOM 0 HE2 HIS A 63 54.821 -17.253 42.035 1.00 1.00 H new ATOM 971 N HIS A 64 55.234 -11.300 40.721 1.00 1.00 N ATOM 972 CA HIS A 64 55.803 -10.584 41.857 1.00 1.00 C ATOM 973 C HIS A 64 55.888 -11.495 43.077 1.00 1.00 C ATOM 974 O HIS A 64 56.962 -12.019 43.327 1.00 1.00 O ATOM 975 CB HIS A 64 54.943 -9.362 42.189 1.00 1.00 C ATOM 976 CG HIS A 64 55.622 -8.119 41.683 1.00 1.00 C ATOM 977 ND1 HIS A 64 56.672 -7.521 42.363 1.00 1.00 N ATOM 978 CD2 HIS A 64 55.412 -7.350 40.566 1.00 1.00 C ATOM 979 CE1 HIS A 64 57.050 -6.441 41.654 1.00 1.00 C ATOM 980 NE2 HIS A 64 56.314 -6.291 40.550 1.00 1.00 N ATOM 981 OXT HIS A 64 54.879 -11.656 43.743 1.00 1.00 O ATOM 0 H HIS A 64 54.355 -10.917 40.374 1.00 1.00 H new ATOM 0 HA HIS A 64 56.808 -10.259 41.590 1.00 1.00 H new ATOM 0 HB2 HIS A 64 53.958 -9.462 41.733 1.00 1.00 H new ATOM 0 HB3 HIS A 64 54.790 -9.293 43.266 1.00 1.00 H new ATOM 0 HD1 HIS A 64 57.083 -7.841 43.240 1.00 1.00 H new ATOM 0 HD2 HIS A 64 54.661 -7.538 39.814 1.00 1.00 H new ATOM 0 HE1 HIS A 64 57.851 -5.777 41.943 1.00 1.00 H new TER 989 HIS A 64