USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 468 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 47 THR OG1 : rot 180:sc= 0.0111 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= -0.0925 USER MOD Set 2.1: A 18 SER OG : rot 180:sc= -0.873 USER MOD Set 2.2: A 19 HIS : no HD1:sc= -1.8 K(o=-2.7,f=-0.52) USER MOD Set 3.1: A 13 HIS : no HD1:sc= -2.36! C(o=-2.4!,f=-2.5!) USER MOD Set 3.2: A 27 LYS NZ :NH3+ -118:sc=-0.00125 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 7 ASN : amide:sc= -0.423 X(o=-0.42,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0203 USER MOD Single : A 15 TYR OH : rot 6:sc= 1.62 USER MOD Single : A 30 GLN : amide:sc= -2.68! C(o=-2.7!,f=-2.6!) USER MOD Single : A 36 GLN : amide:sc= -2.83! K(o=-2.8!,f=-1.6) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 178:sc= 0.908 (180deg=0.771) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 82:sc= -1.83! USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 57 ASN : amide:sc= -9.8! C(o=-9.8!,f=-25!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.03 K(o=-1,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.139 8.116 28.765 1.00 0.00 N ATOM 2 CA GLY A 1 0.253 8.337 27.296 1.00 0.00 C ATOM 3 C GLY A 1 -0.272 7.107 26.552 1.00 0.00 C ATOM 4 O GLY A 1 0.444 6.150 26.333 1.00 0.00 O ATOM 0 H1 GLY A 1 0.496 8.952 29.271 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.858 7.959 29.016 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.699 7.283 29.035 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.315 9.221 27.005 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.292 8.523 27.025 1.00 0.00 H new ATOM 10 N SER A 2 -1.517 7.125 26.162 1.00 0.00 N ATOM 11 CA SER A 2 -2.087 5.955 25.432 1.00 0.00 C ATOM 12 C SER A 2 -1.431 5.821 24.055 1.00 0.00 C ATOM 13 O SER A 2 -1.214 6.802 23.372 1.00 0.00 O ATOM 14 CB SER A 2 -3.577 6.264 25.290 1.00 0.00 C ATOM 15 OG SER A 2 -4.255 5.886 26.480 1.00 0.00 O ATOM 0 H SER A 2 -2.164 7.898 26.317 1.00 0.00 H new ATOM 0 HA SER A 2 -1.915 5.016 25.958 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.722 7.327 25.098 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.991 5.727 24.437 1.00 0.00 H new ATOM 0 HG SER A 2 -5.210 6.086 26.390 1.00 0.00 H new ATOM 21 N PRO A 3 -1.136 4.602 23.697 1.00 0.00 N ATOM 22 CA PRO A 3 -0.494 4.371 22.376 1.00 0.00 C ATOM 23 C PRO A 3 -1.370 4.932 21.252 1.00 0.00 C ATOM 24 O PRO A 3 -2.582 4.898 21.321 1.00 0.00 O ATOM 25 CB PRO A 3 -0.392 2.853 22.274 1.00 0.00 C ATOM 26 CG PRO A 3 -1.470 2.338 23.167 1.00 0.00 C ATOM 27 CD PRO A 3 -1.641 3.346 24.271 1.00 0.00 C ATOM 0 HA PRO A 3 0.475 4.861 22.285 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.534 2.515 21.247 1.00 0.00 H new ATOM 0 HB3 PRO A 3 0.589 2.500 22.593 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.401 2.209 22.614 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.202 1.362 23.573 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -2.686 3.436 24.569 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -1.079 3.061 25.161 1.00 0.00 H new ATOM 35 N LEU A 4 -0.766 5.447 20.217 1.00 0.00 N ATOM 36 CA LEU A 4 -1.564 6.009 19.089 1.00 0.00 C ATOM 37 C LEU A 4 -2.414 4.909 18.446 1.00 0.00 C ATOM 38 O LEU A 4 -3.544 5.133 18.058 1.00 0.00 O ATOM 39 CB LEU A 4 -0.529 6.538 18.096 1.00 0.00 C ATOM 40 CG LEU A 4 0.256 7.684 18.740 1.00 0.00 C ATOM 41 CD1 LEU A 4 1.197 8.303 17.703 1.00 0.00 C ATOM 42 CD2 LEU A 4 -0.718 8.751 19.243 1.00 0.00 C ATOM 0 H LEU A 4 0.246 5.503 20.103 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.250 6.791 19.416 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.150 5.738 17.801 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.024 6.886 17.189 1.00 0.00 H new ATOM 0 HG LEU A 4 0.838 7.299 19.577 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.756 9.119 18.160 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.892 7.544 17.343 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.614 8.687 16.866 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.159 9.567 19.701 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.300 9.136 18.406 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.390 8.312 19.981 1.00 0.00 H new ATOM 54 N GLN A 5 -1.881 3.724 18.331 1.00 0.00 N ATOM 55 CA GLN A 5 -2.660 2.612 17.714 1.00 0.00 C ATOM 56 C GLN A 5 -2.747 1.427 18.681 1.00 0.00 C ATOM 57 O GLN A 5 -1.872 1.215 19.497 1.00 0.00 O ATOM 58 CB GLN A 5 -1.876 2.224 16.462 1.00 0.00 C ATOM 59 CG GLN A 5 -1.837 3.409 15.494 1.00 0.00 C ATOM 60 CD GLN A 5 -1.018 3.032 14.258 1.00 0.00 C ATOM 61 OE1 GLN A 5 -0.236 2.103 14.293 1.00 0.00 O ATOM 62 NE2 GLN A 5 -1.165 3.718 13.157 1.00 0.00 N ATOM 0 H GLN A 5 -0.940 3.477 18.637 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.683 2.907 17.479 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.862 1.929 16.732 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.341 1.364 15.981 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.850 3.687 15.201 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.397 4.278 15.984 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.821 4.498 13.126 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.624 3.474 12.328 1.00 0.00 H new ATOM 71 N ASP A 6 -3.795 0.654 18.594 1.00 0.00 N ATOM 72 CA ASP A 6 -3.933 -0.516 19.508 1.00 0.00 C ATOM 73 C ASP A 6 -3.624 -1.812 18.755 1.00 0.00 C ATOM 74 O ASP A 6 -3.954 -2.894 19.199 1.00 0.00 O ATOM 75 CB ASP A 6 -5.393 -0.495 19.961 1.00 0.00 C ATOM 76 CG ASP A 6 -5.658 0.775 20.772 1.00 0.00 C ATOM 77 OD1 ASP A 6 -4.696 1.379 21.220 1.00 0.00 O ATOM 78 OD2 ASP A 6 -6.817 1.122 20.932 1.00 0.00 O ATOM 0 H ASP A 6 -4.560 0.781 17.931 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.244 -0.465 20.351 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.054 -0.531 19.095 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.610 -1.376 20.564 1.00 0.00 H new ATOM 83 N ASN A 7 -2.992 -1.712 17.618 1.00 0.00 N ATOM 84 CA ASN A 7 -2.662 -2.939 16.837 1.00 0.00 C ATOM 85 C ASN A 7 -1.314 -3.507 17.286 1.00 0.00 C ATOM 86 O ASN A 7 -0.718 -4.324 16.612 1.00 0.00 O ATOM 87 CB ASN A 7 -2.591 -2.473 15.381 1.00 0.00 C ATOM 88 CG ASN A 7 -3.974 -2.004 14.927 1.00 0.00 C ATOM 89 OD1 ASN A 7 -4.099 -0.995 14.262 1.00 0.00 O ATOM 90 ND2 ASN A 7 -5.028 -2.699 15.262 1.00 0.00 N ATOM 0 H ASN A 7 -2.690 -0.834 17.196 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.400 -3.729 16.977 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -1.870 -1.662 15.283 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.244 -3.287 14.744 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.955 -2.394 14.965 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.924 -3.546 15.820 1.00 0.00 H new ATOM 97 N LEU A 8 -0.829 -3.084 18.421 1.00 0.00 N ATOM 98 CA LEU A 8 0.481 -3.602 18.914 1.00 0.00 C ATOM 99 C LEU A 8 0.255 -4.642 20.015 1.00 0.00 C ATOM 100 O LEU A 8 -0.730 -4.603 20.725 1.00 0.00 O ATOM 101 CB LEU A 8 1.205 -2.377 19.471 1.00 0.00 C ATOM 102 CG LEU A 8 1.432 -1.363 18.348 1.00 0.00 C ATOM 103 CD1 LEU A 8 0.147 -0.568 18.109 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.559 -0.406 18.744 1.00 0.00 C ATOM 0 H LEU A 8 -1.282 -2.402 19.029 1.00 0.00 H new ATOM 0 HA LEU A 8 1.056 -4.092 18.128 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.616 -1.925 20.269 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.159 -2.673 19.907 1.00 0.00 H new ATOM 0 HG LEU A 8 1.707 -1.890 17.434 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.309 0.154 17.309 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.655 -1.249 17.825 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.130 -0.041 19.022 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.721 0.316 17.944 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.285 0.120 19.658 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.475 -0.972 18.912 1.00 0.00 H new ATOM 116 N VAL A 9 1.159 -5.572 20.164 1.00 0.00 N ATOM 117 CA VAL A 9 0.989 -6.610 21.224 1.00 0.00 C ATOM 118 C VAL A 9 2.353 -7.123 21.694 1.00 0.00 C ATOM 119 O VAL A 9 3.378 -6.807 21.122 1.00 0.00 O ATOM 120 CB VAL A 9 0.200 -7.735 20.556 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.236 -7.275 20.302 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.862 -8.102 19.226 1.00 0.00 C ATOM 0 H VAL A 9 2.005 -5.659 19.601 1.00 0.00 H new ATOM 0 HA VAL A 9 0.478 -6.216 22.103 1.00 0.00 H new ATOM 0 HB VAL A 9 0.189 -8.607 21.210 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.797 -8.079 19.825 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.708 -7.016 21.250 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.228 -6.402 19.650 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.300 -8.905 18.749 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.874 -7.230 18.573 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.884 -8.434 19.408 1.00 0.00 H new ATOM 132 N ILE A 10 2.369 -7.916 22.730 1.00 0.00 N ATOM 133 CA ILE A 10 3.662 -8.457 23.238 1.00 0.00 C ATOM 134 C ILE A 10 3.665 -9.984 23.135 1.00 0.00 C ATOM 135 O ILE A 10 2.656 -10.631 23.337 1.00 0.00 O ATOM 136 CB ILE A 10 3.729 -8.017 24.700 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.509 -6.505 24.790 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.103 -8.365 25.275 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.288 -6.107 26.250 1.00 0.00 C ATOM 0 H ILE A 10 1.542 -8.213 23.247 1.00 0.00 H new ATOM 0 HA ILE A 10 4.517 -8.096 22.667 1.00 0.00 H new ATOM 0 HB ILE A 10 2.955 -8.532 25.269 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.372 -5.977 24.385 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.647 -6.216 24.189 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.151 -8.051 26.318 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.262 -9.442 25.212 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.877 -7.850 24.705 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.131 -5.030 26.314 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.412 -6.625 26.640 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.163 -6.382 26.839 1.00 0.00 H new ATOM 151 N ALA A 11 4.788 -10.566 22.818 1.00 0.00 N ATOM 152 CA ALA A 11 4.847 -12.051 22.696 1.00 0.00 C ATOM 153 C ALA A 11 4.884 -12.702 24.081 1.00 0.00 C ATOM 154 O ALA A 11 5.847 -12.584 24.808 1.00 0.00 O ATOM 155 CB ALA A 11 6.145 -12.333 21.941 1.00 0.00 C ATOM 0 H ALA A 11 5.666 -10.079 22.638 1.00 0.00 H new ATOM 0 HA ALA A 11 3.975 -12.455 22.181 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.263 -13.409 21.810 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.110 -11.850 20.965 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.989 -11.942 22.509 1.00 0.00 H new ATOM 161 N LEU A 12 3.846 -13.404 24.446 1.00 0.00 N ATOM 162 CA LEU A 12 3.834 -14.074 25.777 1.00 0.00 C ATOM 163 C LEU A 12 4.780 -15.276 25.747 1.00 0.00 C ATOM 164 O LEU A 12 5.256 -15.736 26.765 1.00 0.00 O ATOM 165 CB LEU A 12 2.389 -14.530 25.980 1.00 0.00 C ATOM 166 CG LEU A 12 1.451 -13.332 25.821 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.016 -13.763 26.131 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.874 -12.224 26.789 1.00 0.00 C ATOM 0 H LEU A 12 3.008 -13.542 23.882 1.00 0.00 H new ATOM 0 HA LEU A 12 4.163 -13.418 26.583 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.135 -15.304 25.255 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.271 -14.970 26.970 1.00 0.00 H new ATOM 0 HG LEU A 12 1.504 -12.960 24.798 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.653 -12.910 26.018 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.284 -14.553 25.442 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.039 -14.134 27.154 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.207 -11.369 26.677 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.820 -12.595 27.813 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.896 -11.918 26.567 1.00 0.00 H new ATOM 180 N HIS A 13 5.053 -15.780 24.575 1.00 0.00 N ATOM 181 CA HIS A 13 5.967 -16.950 24.450 1.00 0.00 C ATOM 182 C HIS A 13 6.567 -16.982 23.043 1.00 0.00 C ATOM 183 O HIS A 13 5.966 -16.518 22.095 1.00 0.00 O ATOM 184 CB HIS A 13 5.075 -18.168 24.681 1.00 0.00 C ATOM 185 CG HIS A 13 4.746 -18.279 26.145 1.00 0.00 C ATOM 186 ND1 HIS A 13 5.719 -18.504 27.106 1.00 0.00 N ATOM 187 CD2 HIS A 13 3.557 -18.198 26.826 1.00 0.00 C ATOM 188 CE1 HIS A 13 5.103 -18.550 28.302 1.00 0.00 C ATOM 189 NE2 HIS A 13 3.785 -18.369 28.188 1.00 0.00 N ATOM 0 H HIS A 13 4.680 -15.429 23.693 1.00 0.00 H new ATOM 0 HA HIS A 13 6.797 -16.916 25.156 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.159 -18.077 24.097 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.581 -19.072 24.342 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.591 -18.027 26.374 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.613 -18.713 29.240 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.094 -18.358 28.938 1.00 0.00 H new ATOM 197 N SER A 14 7.744 -17.524 22.890 1.00 0.00 N ATOM 198 CA SER A 14 8.363 -17.577 21.536 1.00 0.00 C ATOM 199 C SER A 14 7.534 -18.481 20.619 1.00 0.00 C ATOM 200 O SER A 14 7.101 -19.546 21.011 1.00 0.00 O ATOM 201 CB SER A 14 9.755 -18.168 21.759 1.00 0.00 C ATOM 202 OG SER A 14 9.648 -19.571 21.951 1.00 0.00 O ATOM 0 H SER A 14 8.302 -17.931 23.641 1.00 0.00 H new ATOM 0 HA SER A 14 8.411 -16.597 21.061 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.394 -17.955 20.902 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.223 -17.706 22.628 1.00 0.00 H new ATOM 0 HG SER A 14 10.540 -19.951 22.092 1.00 0.00 H new ATOM 208 N TYR A 15 7.309 -18.069 19.400 1.00 0.00 N ATOM 209 CA TYR A 15 6.510 -18.917 18.471 1.00 0.00 C ATOM 210 C TYR A 15 7.441 -19.727 17.565 1.00 0.00 C ATOM 211 O TYR A 15 8.581 -19.367 17.350 1.00 0.00 O ATOM 212 CB TYR A 15 5.671 -17.935 17.651 1.00 0.00 C ATOM 213 CG TYR A 15 4.802 -18.705 16.684 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.530 -19.129 17.079 1.00 0.00 C ATOM 215 CD2 TYR A 15 5.270 -18.996 15.396 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.722 -19.845 16.188 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.462 -19.712 14.504 1.00 0.00 C ATOM 218 CZ TYR A 15 3.188 -20.136 14.901 1.00 0.00 C ATOM 219 OH TYR A 15 2.391 -20.843 14.023 1.00 0.00 O ATOM 0 H TYR A 15 7.642 -17.187 19.010 1.00 0.00 H new ATOM 0 HA TYR A 15 5.883 -19.634 19.001 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.051 -17.329 18.312 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.321 -17.250 17.107 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.170 -18.904 18.072 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.253 -18.668 15.091 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.739 -20.173 16.494 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.821 -19.937 13.511 1.00 0.00 H new ATOM 0 HH TYR A 15 1.508 -20.985 14.424 1.00 0.00 H new ATOM 229 N GLU A 16 6.963 -20.819 17.035 1.00 0.00 N ATOM 230 CA GLU A 16 7.822 -21.653 16.147 1.00 0.00 C ATOM 231 C GLU A 16 7.309 -21.596 14.706 1.00 0.00 C ATOM 232 O GLU A 16 6.122 -21.690 14.464 1.00 0.00 O ATOM 233 CB GLU A 16 7.705 -23.073 16.702 1.00 0.00 C ATOM 234 CG GLU A 16 8.242 -23.108 18.134 1.00 0.00 C ATOM 235 CD GLU A 16 9.330 -24.178 18.245 1.00 0.00 C ATOM 236 OE1 GLU A 16 10.029 -24.387 17.267 1.00 0.00 O ATOM 237 OE2 GLU A 16 9.446 -24.769 19.305 1.00 0.00 O ATOM 0 H GLU A 16 6.016 -21.170 17.178 1.00 0.00 H new ATOM 0 HA GLU A 16 8.855 -21.306 16.129 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.664 -23.397 16.685 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.265 -23.767 16.075 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.647 -22.133 18.406 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.433 -23.323 18.832 1.00 0.00 H new ATOM 244 N PRO A 17 8.231 -21.446 13.795 1.00 0.00 N ATOM 245 CA PRO A 17 7.831 -21.383 12.364 1.00 0.00 C ATOM 246 C PRO A 17 7.925 -22.772 11.725 1.00 0.00 C ATOM 247 O PRO A 17 8.933 -23.137 11.153 1.00 0.00 O ATOM 248 CB PRO A 17 8.845 -20.430 11.738 1.00 0.00 C ATOM 249 CG PRO A 17 10.042 -20.511 12.625 1.00 0.00 C ATOM 250 CD PRO A 17 9.537 -20.806 14.012 1.00 0.00 C ATOM 0 HA PRO A 17 6.803 -21.048 12.225 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.088 -20.726 10.717 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.456 -19.413 11.691 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.722 -21.293 12.287 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.600 -19.575 12.608 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.218 -21.464 14.551 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.440 -19.895 14.602 1.00 0.00 H new ATOM 258 N SER A 18 6.881 -23.550 11.822 1.00 0.00 N ATOM 259 CA SER A 18 6.912 -24.914 11.222 1.00 0.00 C ATOM 260 C SER A 18 6.641 -24.837 9.717 1.00 0.00 C ATOM 261 O SER A 18 6.604 -25.840 9.032 1.00 0.00 O ATOM 262 CB SER A 18 5.795 -25.682 11.930 1.00 0.00 C ATOM 263 OG SER A 18 4.548 -25.068 11.648 1.00 0.00 O ATOM 0 H SER A 18 6.010 -23.300 12.290 1.00 0.00 H new ATOM 0 HA SER A 18 7.881 -25.398 11.345 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.785 -26.720 11.597 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.972 -25.694 13.005 1.00 0.00 H new ATOM 0 HG SER A 18 3.831 -25.560 12.100 1.00 0.00 H new ATOM 269 N HIS A 19 6.450 -23.656 9.197 1.00 0.00 N ATOM 270 CA HIS A 19 6.181 -23.519 7.737 1.00 0.00 C ATOM 271 C HIS A 19 6.877 -22.273 7.184 1.00 0.00 C ATOM 272 O HIS A 19 7.567 -21.569 7.895 1.00 0.00 O ATOM 273 CB HIS A 19 4.663 -23.382 7.626 1.00 0.00 C ATOM 274 CG HIS A 19 4.010 -24.627 8.159 1.00 0.00 C ATOM 275 ND1 HIS A 19 4.218 -25.872 7.588 1.00 0.00 N ATOM 276 CD2 HIS A 19 3.153 -24.835 9.212 1.00 0.00 C ATOM 277 CE1 HIS A 19 3.501 -26.766 8.294 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.834 -26.188 9.295 1.00 0.00 N ATOM 0 H HIS A 19 6.468 -22.780 9.719 1.00 0.00 H new ATOM 0 HA HIS A 19 6.556 -24.369 7.166 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.323 -22.511 8.187 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.376 -23.224 6.586 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.783 -24.067 9.875 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.469 -27.823 8.077 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.222 -26.640 9.975 1.00 0.00 H new ATOM 286 N ASP A 20 6.701 -21.993 5.922 1.00 0.00 N ATOM 287 CA ASP A 20 7.353 -20.792 5.326 1.00 0.00 C ATOM 288 C ASP A 20 6.364 -19.624 5.277 1.00 0.00 C ATOM 289 O ASP A 20 5.277 -19.741 4.748 1.00 0.00 O ATOM 290 CB ASP A 20 7.752 -21.218 3.913 1.00 0.00 C ATOM 291 CG ASP A 20 8.677 -20.161 3.306 1.00 0.00 C ATOM 292 OD1 ASP A 20 9.876 -20.268 3.504 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.170 -19.264 2.652 1.00 0.00 O ATOM 0 H ASP A 20 6.134 -22.544 5.277 1.00 0.00 H new ATOM 0 HA ASP A 20 8.212 -20.456 5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.255 -22.185 3.941 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.864 -21.339 3.293 1.00 0.00 H new ATOM 298 N GLY A 21 6.733 -18.499 5.826 1.00 0.00 N ATOM 299 CA GLY A 21 5.814 -17.328 5.810 1.00 0.00 C ATOM 300 C GLY A 21 5.348 -17.024 7.236 1.00 0.00 C ATOM 301 O GLY A 21 4.735 -16.007 7.495 1.00 0.00 O ATOM 0 H GLY A 21 7.630 -18.341 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.321 -16.460 5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.955 -17.535 5.172 1.00 0.00 H new ATOM 305 N ASP A 22 5.633 -17.897 8.164 1.00 0.00 N ATOM 306 CA ASP A 22 5.204 -17.655 9.571 1.00 0.00 C ATOM 307 C ASP A 22 6.312 -16.935 10.343 1.00 0.00 C ATOM 308 O ASP A 22 7.418 -16.781 9.863 1.00 0.00 O ATOM 309 CB ASP A 22 4.956 -19.043 10.163 1.00 0.00 C ATOM 310 CG ASP A 22 3.903 -19.776 9.327 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.872 -19.561 8.126 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.146 -20.541 9.902 1.00 0.00 O ATOM 0 H ASP A 22 6.144 -18.766 8.009 1.00 0.00 H new ATOM 0 HA ASP A 22 4.315 -17.027 9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.884 -19.614 10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.618 -18.954 11.196 1.00 0.00 H new ATOM 317 N LEU A 23 6.024 -16.493 11.535 1.00 0.00 N ATOM 318 CA LEU A 23 7.058 -15.782 12.338 1.00 0.00 C ATOM 319 C LEU A 23 7.188 -16.431 13.720 1.00 0.00 C ATOM 320 O LEU A 23 6.206 -16.691 14.387 1.00 0.00 O ATOM 321 CB LEU A 23 6.541 -14.348 12.458 1.00 0.00 C ATOM 322 CG LEU A 23 7.695 -13.418 12.839 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.764 -13.457 11.746 1.00 0.00 C ATOM 324 CD2 LEU A 23 7.168 -11.989 12.987 1.00 0.00 C ATOM 0 H LEU A 23 5.116 -16.593 11.989 1.00 0.00 H new ATOM 0 HA LEU A 23 8.045 -15.821 11.878 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.100 -14.029 11.514 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.754 -14.296 13.211 1.00 0.00 H new ATOM 0 HG LEU A 23 8.130 -13.745 13.783 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.586 -12.795 12.017 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.138 -14.475 11.639 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.330 -13.129 10.801 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.989 -11.325 13.258 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.734 -11.662 12.042 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.406 -11.961 13.766 1.00 0.00 H new ATOM 336 N GLY A 24 8.391 -16.700 14.152 1.00 0.00 N ATOM 337 CA GLY A 24 8.577 -17.339 15.487 1.00 0.00 C ATOM 338 C GLY A 24 9.178 -16.327 16.466 1.00 0.00 C ATOM 339 O GLY A 24 10.254 -16.525 16.993 1.00 0.00 O ATOM 0 H GLY A 24 9.251 -16.505 13.640 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.620 -17.700 15.864 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.232 -18.206 15.398 1.00 0.00 H new ATOM 343 N PHE A 25 8.497 -15.239 16.708 1.00 0.00 N ATOM 344 CA PHE A 25 9.031 -14.210 17.647 1.00 0.00 C ATOM 345 C PHE A 25 9.411 -14.840 18.990 1.00 0.00 C ATOM 346 O PHE A 25 9.196 -16.013 19.224 1.00 0.00 O ATOM 347 CB PHE A 25 7.887 -13.208 17.829 1.00 0.00 C ATOM 348 CG PHE A 25 6.624 -13.930 18.250 1.00 0.00 C ATOM 349 CD1 PHE A 25 6.367 -14.160 19.607 1.00 0.00 C ATOM 350 CD2 PHE A 25 5.707 -14.364 17.283 1.00 0.00 C ATOM 351 CE1 PHE A 25 5.195 -14.824 19.996 1.00 0.00 C ATOM 352 CE2 PHE A 25 4.537 -15.028 17.673 1.00 0.00 C ATOM 353 CZ PHE A 25 4.281 -15.256 19.029 1.00 0.00 C ATOM 0 H PHE A 25 7.591 -15.018 16.295 1.00 0.00 H new ATOM 0 HA PHE A 25 9.935 -13.739 17.260 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.159 -12.467 18.580 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.714 -12.669 16.898 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.072 -13.826 20.354 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.903 -14.186 16.236 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.998 -15.002 21.043 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.832 -15.364 16.927 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.378 -15.766 19.330 1.00 0.00 H new ATOM 363 N GLU A 26 9.979 -14.062 19.874 1.00 0.00 N ATOM 364 CA GLU A 26 10.378 -14.603 21.206 1.00 0.00 C ATOM 365 C GLU A 26 9.474 -14.035 22.303 1.00 0.00 C ATOM 366 O GLU A 26 8.580 -13.252 22.043 1.00 0.00 O ATOM 367 CB GLU A 26 11.821 -14.135 21.405 1.00 0.00 C ATOM 368 CG GLU A 26 12.702 -14.708 20.294 1.00 0.00 C ATOM 369 CD GLU A 26 14.153 -14.282 20.525 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.376 -13.454 21.393 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.018 -14.793 19.832 1.00 0.00 O ATOM 0 H GLU A 26 10.184 -13.073 19.730 1.00 0.00 H new ATOM 0 HA GLU A 26 10.289 -15.688 21.254 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.866 -13.046 21.394 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.189 -14.459 22.379 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.628 -15.795 20.281 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.358 -14.354 19.322 1.00 0.00 H new ATOM 378 N LYS A 27 9.706 -14.409 23.531 1.00 0.00 N ATOM 379 CA LYS A 27 8.862 -13.882 24.640 1.00 0.00 C ATOM 380 C LYS A 27 9.168 -12.403 24.879 1.00 0.00 C ATOM 381 O LYS A 27 10.310 -12.005 25.004 1.00 0.00 O ATOM 382 CB LYS A 27 9.244 -14.714 25.865 1.00 0.00 C ATOM 383 CG LYS A 27 8.509 -14.177 27.095 1.00 0.00 C ATOM 384 CD LYS A 27 8.306 -15.310 28.104 1.00 0.00 C ATOM 385 CE LYS A 27 7.249 -14.895 29.130 1.00 0.00 C ATOM 386 NZ LYS A 27 6.880 -16.158 29.830 1.00 0.00 N ATOM 0 H LYS A 27 10.442 -15.056 23.814 1.00 0.00 H new ATOM 0 HA LYS A 27 7.798 -13.955 24.417 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.986 -15.760 25.702 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.321 -14.672 26.025 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.082 -13.369 27.550 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.546 -13.759 26.802 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.992 -16.218 27.589 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.246 -15.537 28.606 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.644 -14.157 29.828 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.383 -14.444 28.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.873 -16.362 29.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.455 -16.941 29.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.055 -16.054 30.850 1.00 0.00 H new ATOM 400 N GLY A 28 8.156 -11.586 24.942 1.00 0.00 N ATOM 401 CA GLY A 28 8.383 -10.135 25.172 1.00 0.00 C ATOM 402 C GLY A 28 8.546 -9.427 23.827 1.00 0.00 C ATOM 403 O GLY A 28 8.418 -8.223 23.732 1.00 0.00 O ATOM 0 H GLY A 28 7.179 -11.862 24.844 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.544 -9.707 25.721 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.273 -9.987 25.783 1.00 0.00 H new ATOM 407 N GLU A 29 8.836 -10.159 22.784 1.00 0.00 N ATOM 408 CA GLU A 29 9.011 -9.508 21.455 1.00 0.00 C ATOM 409 C GLU A 29 7.712 -8.817 21.033 1.00 0.00 C ATOM 410 O GLU A 29 6.665 -9.429 20.966 1.00 0.00 O ATOM 411 CB GLU A 29 9.358 -10.642 20.492 1.00 0.00 C ATOM 412 CG GLU A 29 10.879 -10.780 20.396 1.00 0.00 C ATOM 413 CD GLU A 29 11.488 -9.438 19.985 1.00 0.00 C ATOM 414 OE1 GLU A 29 11.111 -8.934 18.940 1.00 0.00 O ATOM 415 OE2 GLU A 29 12.321 -8.936 20.723 1.00 0.00 O ATOM 0 H GLU A 29 8.958 -11.172 22.795 1.00 0.00 H new ATOM 0 HA GLU A 29 9.788 -8.743 21.470 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.918 -11.577 20.840 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.937 -10.439 19.507 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.287 -11.098 21.355 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.140 -11.548 19.668 1.00 0.00 H new ATOM 422 N GLN A 30 7.773 -7.545 20.753 1.00 0.00 N ATOM 423 CA GLN A 30 6.542 -6.813 20.341 1.00 0.00 C ATOM 424 C GLN A 30 6.232 -7.084 18.867 1.00 0.00 C ATOM 425 O GLN A 30 7.103 -7.040 18.021 1.00 0.00 O ATOM 426 CB GLN A 30 6.870 -5.335 20.557 1.00 0.00 C ATOM 427 CG GLN A 30 5.706 -4.477 20.058 1.00 0.00 C ATOM 428 CD GLN A 30 6.124 -3.005 20.046 1.00 0.00 C ATOM 429 OE1 GLN A 30 7.236 -2.674 20.405 1.00 0.00 O ATOM 430 NE2 GLN A 30 5.273 -2.101 19.645 1.00 0.00 N ATOM 0 H GLN A 30 8.622 -6.980 20.792 1.00 0.00 H new ATOM 0 HA GLN A 30 5.667 -7.125 20.911 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.051 -5.142 21.614 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.784 -5.073 20.024 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.413 -4.791 19.056 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.837 -4.614 20.702 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.339 -2.378 19.343 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.542 -1.117 19.633 1.00 0.00 H new ATOM 439 N LEU A 31 4.997 -7.364 18.555 1.00 0.00 N ATOM 440 CA LEU A 31 4.632 -7.640 17.136 1.00 0.00 C ATOM 441 C LEU A 31 3.423 -6.795 16.728 1.00 0.00 C ATOM 442 O LEU A 31 2.578 -6.469 17.539 1.00 0.00 O ATOM 443 CB LEU A 31 4.280 -9.127 17.095 1.00 0.00 C ATOM 444 CG LEU A 31 5.412 -9.937 17.730 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.991 -11.404 17.832 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.667 -9.826 16.865 1.00 0.00 C ATOM 0 H LEU A 31 4.225 -7.414 19.220 1.00 0.00 H new ATOM 0 HA LEU A 31 5.442 -7.394 16.449 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.347 -9.306 17.629 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.124 -9.446 16.065 1.00 0.00 H new ATOM 0 HG LEU A 31 5.623 -9.548 18.726 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.796 -11.983 18.284 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.096 -11.484 18.449 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.780 -11.792 16.835 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.473 -10.403 17.318 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.458 -10.215 15.868 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.967 -8.781 16.791 1.00 0.00 H new ATOM 458 N ARG A 32 3.333 -6.442 15.476 1.00 0.00 N ATOM 459 CA ARG A 32 2.176 -5.622 15.016 1.00 0.00 C ATOM 460 C ARG A 32 1.075 -6.531 14.462 1.00 0.00 C ATOM 461 O ARG A 32 1.330 -7.430 13.685 1.00 0.00 O ATOM 462 CB ARG A 32 2.738 -4.725 13.911 1.00 0.00 C ATOM 463 CG ARG A 32 1.582 -4.136 13.098 1.00 0.00 C ATOM 464 CD ARG A 32 2.138 -3.319 11.931 1.00 0.00 C ATOM 465 NE ARG A 32 1.103 -2.281 11.670 1.00 0.00 N ATOM 466 CZ ARG A 32 1.132 -1.594 10.562 1.00 0.00 C ATOM 467 NH1 ARG A 32 2.246 -1.486 9.891 1.00 0.00 N ATOM 468 NH2 ARG A 32 0.048 -1.014 10.126 1.00 0.00 N ATOM 0 H ARG A 32 4.009 -6.685 14.752 1.00 0.00 H new ATOM 0 HA ARG A 32 1.733 -5.041 15.825 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.336 -3.924 14.346 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.398 -5.300 13.262 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.943 -4.936 12.723 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.962 -3.504 13.734 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.097 -2.867 12.185 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.303 -3.944 11.053 1.00 0.00 H new ATOM 0 HE ARG A 32 0.371 -2.107 12.358 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.093 -1.939 10.233 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.269 -0.949 9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.822 -1.098 10.652 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.070 -0.477 9.259 1.00 0.00 H new ATOM 482 N ILE A 33 -0.148 -6.304 14.855 1.00 0.00 N ATOM 483 CA ILE A 33 -1.264 -7.155 14.349 1.00 0.00 C ATOM 484 C ILE A 33 -1.693 -6.684 12.957 1.00 0.00 C ATOM 485 O ILE A 33 -2.078 -5.547 12.768 1.00 0.00 O ATOM 486 CB ILE A 33 -2.398 -6.966 15.357 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.859 -7.164 16.775 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.500 -7.992 15.085 1.00 0.00 C ATOM 489 CD1 ILE A 33 -2.978 -6.908 17.786 1.00 0.00 C ATOM 0 H ILE A 33 -0.424 -5.567 15.504 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.978 -8.203 14.256 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.805 -5.960 15.259 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.474 -8.177 16.891 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.027 -6.484 16.958 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.308 -7.857 15.804 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.886 -7.853 14.075 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.092 -8.998 15.182 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.595 -7.049 18.797 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.342 -5.887 17.675 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.796 -7.606 17.608 1.00 0.00 H new ATOM 501 N LEU A 34 -1.627 -7.548 11.981 1.00 0.00 N ATOM 502 CA LEU A 34 -2.027 -7.146 10.601 1.00 0.00 C ATOM 503 C LEU A 34 -3.450 -7.625 10.299 1.00 0.00 C ATOM 504 O LEU A 34 -4.193 -6.983 9.584 1.00 0.00 O ATOM 505 CB LEU A 34 -1.022 -7.838 9.681 1.00 0.00 C ATOM 506 CG LEU A 34 0.035 -6.828 9.230 1.00 0.00 C ATOM 507 CD1 LEU A 34 1.191 -7.566 8.553 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.590 -5.844 8.241 1.00 0.00 C ATOM 0 H LEU A 34 -1.314 -8.514 12.079 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.023 -6.064 10.470 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.547 -8.669 10.203 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.534 -8.256 8.814 1.00 0.00 H new ATOM 0 HG LEU A 34 0.410 -6.284 10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.944 -6.846 8.232 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.637 -8.268 9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.817 -8.111 7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.163 -5.124 7.919 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.965 -6.388 7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.413 -5.317 8.723 1.00 0.00 H new ATOM 520 N GLU A 35 -3.836 -8.748 10.839 1.00 0.00 N ATOM 521 CA GLU A 35 -5.210 -9.266 10.580 1.00 0.00 C ATOM 522 C GLU A 35 -5.694 -10.098 11.770 1.00 0.00 C ATOM 523 O GLU A 35 -4.920 -10.757 12.434 1.00 0.00 O ATOM 524 CB GLU A 35 -5.075 -10.138 9.332 1.00 0.00 C ATOM 525 CG GLU A 35 -6.466 -10.538 8.835 1.00 0.00 C ATOM 526 CD GLU A 35 -6.328 -11.523 7.673 1.00 0.00 C ATOM 527 OE1 GLU A 35 -5.204 -11.817 7.301 1.00 0.00 O ATOM 528 OE2 GLU A 35 -7.350 -11.967 7.174 1.00 0.00 O ATOM 0 H GLU A 35 -3.260 -9.329 11.448 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.935 -8.464 10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.541 -9.595 8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.489 -11.028 9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.037 -10.992 9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.017 -9.654 8.513 1.00 0.00 H new ATOM 535 N GLN A 36 -6.969 -10.072 12.044 1.00 0.00 N ATOM 536 CA GLN A 36 -7.500 -10.861 13.192 1.00 0.00 C ATOM 537 C GLN A 36 -8.683 -11.721 12.740 1.00 0.00 C ATOM 538 O GLN A 36 -9.763 -11.650 13.295 1.00 0.00 O ATOM 539 CB GLN A 36 -7.953 -9.818 14.214 1.00 0.00 C ATOM 540 CG GLN A 36 -6.730 -9.103 14.792 1.00 0.00 C ATOM 541 CD GLN A 36 -7.185 -8.069 15.823 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.272 -7.535 15.726 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.394 -7.763 16.815 1.00 0.00 N ATOM 0 H GLN A 36 -7.666 -9.539 11.523 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.755 -11.540 13.607 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.619 -9.096 13.742 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.518 -10.298 15.013 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.059 -9.825 15.257 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.170 -8.615 13.994 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.481 -8.211 16.897 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.688 -7.076 17.509 1.00 0.00 H new ATOM 552 N SER A 37 -8.490 -12.532 11.737 1.00 0.00 N ATOM 553 CA SER A 37 -9.603 -13.394 11.248 1.00 0.00 C ATOM 554 C SER A 37 -9.312 -14.864 11.562 1.00 0.00 C ATOM 555 O SER A 37 -8.276 -15.391 11.210 1.00 0.00 O ATOM 556 CB SER A 37 -9.644 -13.168 9.736 1.00 0.00 C ATOM 557 OG SER A 37 -10.796 -13.797 9.195 1.00 0.00 O ATOM 0 H SER A 37 -7.609 -12.635 11.234 1.00 0.00 H new ATOM 0 HA SER A 37 -10.553 -13.150 11.723 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.663 -12.100 9.517 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.744 -13.572 9.272 1.00 0.00 H new ATOM 0 HG SER A 37 -10.824 -13.651 8.226 1.00 0.00 H new ATOM 563 N GLY A 38 -10.220 -15.530 12.222 1.00 0.00 N ATOM 564 CA GLY A 38 -9.994 -16.965 12.557 1.00 0.00 C ATOM 565 C GLY A 38 -9.141 -17.066 13.821 1.00 0.00 C ATOM 566 O GLY A 38 -8.826 -16.076 14.451 1.00 0.00 O ATOM 0 H GLY A 38 -11.107 -15.143 12.543 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.949 -17.469 12.709 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.496 -17.469 11.728 1.00 0.00 H new ATOM 570 N GLU A 39 -8.766 -18.258 14.198 1.00 0.00 N ATOM 571 CA GLU A 39 -7.932 -18.425 15.422 1.00 0.00 C ATOM 572 C GLU A 39 -6.537 -17.835 15.196 1.00 0.00 C ATOM 573 O GLU A 39 -5.946 -17.254 16.084 1.00 0.00 O ATOM 574 CB GLU A 39 -7.849 -19.935 15.641 1.00 0.00 C ATOM 575 CG GLU A 39 -9.261 -20.509 15.776 1.00 0.00 C ATOM 576 CD GLU A 39 -9.188 -22.036 15.833 1.00 0.00 C ATOM 577 OE1 GLU A 39 -8.139 -22.571 15.516 1.00 0.00 O ATOM 578 OE2 GLU A 39 -10.182 -22.644 16.193 1.00 0.00 O ATOM 0 H GLU A 39 -9.001 -19.123 13.711 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.356 -17.912 16.285 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.332 -20.407 14.806 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.269 -20.152 16.538 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.737 -20.123 16.677 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.875 -20.195 14.932 1.00 0.00 H new ATOM 585 N TRP A 40 -6.007 -17.980 14.012 1.00 0.00 N ATOM 586 CA TRP A 40 -4.651 -17.428 13.728 1.00 0.00 C ATOM 587 C TRP A 40 -4.766 -16.005 13.176 1.00 0.00 C ATOM 588 O TRP A 40 -5.651 -15.702 12.400 1.00 0.00 O ATOM 589 CB TRP A 40 -4.059 -18.367 12.676 1.00 0.00 C ATOM 590 CG TRP A 40 -3.643 -19.646 13.328 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.408 -20.760 13.417 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.381 -19.962 13.982 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.694 -21.738 14.084 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.439 -21.295 14.453 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.206 -19.229 14.209 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.366 -21.879 15.125 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.123 -19.812 14.886 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.203 -21.135 15.344 1.00 0.00 C ATOM 0 H TRP A 40 -6.454 -18.457 13.229 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.029 -17.371 14.621 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.794 -18.566 11.896 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.202 -17.896 12.194 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.411 -20.867 13.031 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.051 -22.673 14.280 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.134 -18.209 13.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.433 -22.899 15.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.776 -19.239 15.055 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.633 -21.578 15.865 1.00 0.00 H new ATOM 609 N TRP A 41 -3.879 -15.130 13.566 1.00 0.00 N ATOM 610 CA TRP A 41 -3.942 -13.727 13.061 1.00 0.00 C ATOM 611 C TRP A 41 -2.633 -13.353 12.360 1.00 0.00 C ATOM 612 O TRP A 41 -1.584 -13.891 12.657 1.00 0.00 O ATOM 613 CB TRP A 41 -4.138 -12.865 14.310 1.00 0.00 C ATOM 614 CG TRP A 41 -5.469 -13.159 14.923 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.520 -13.712 14.277 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.910 -12.924 16.293 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.576 -13.835 15.162 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.249 -13.363 16.418 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.282 -12.379 17.428 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.942 -13.265 17.625 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -5.976 -12.279 18.644 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.303 -12.721 18.743 1.00 0.00 C ATOM 0 H TRP A 41 -3.114 -15.325 14.212 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.743 -13.589 12.335 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.344 -13.065 15.029 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.073 -11.809 14.048 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.533 -14.009 13.239 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.485 -14.227 14.917 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.260 -12.036 17.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.964 -13.607 17.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.485 -11.859 19.509 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.831 -12.641 19.682 1.00 0.00 H new ATOM 633 N LYS A 42 -2.684 -12.428 11.442 1.00 0.00 N ATOM 634 CA LYS A 42 -1.440 -12.012 10.732 1.00 0.00 C ATOM 635 C LYS A 42 -0.766 -10.875 11.503 1.00 0.00 C ATOM 636 O LYS A 42 -1.423 -10.055 12.112 1.00 0.00 O ATOM 637 CB LYS A 42 -1.906 -11.529 9.359 1.00 0.00 C ATOM 638 CG LYS A 42 -2.528 -12.696 8.590 1.00 0.00 C ATOM 639 CD LYS A 42 -2.613 -12.339 7.105 1.00 0.00 C ATOM 640 CE LYS A 42 -3.414 -13.413 6.367 1.00 0.00 C ATOM 641 NZ LYS A 42 -4.060 -12.692 5.233 1.00 0.00 N ATOM 0 H LYS A 42 -3.533 -11.942 11.152 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.715 -12.822 10.647 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.634 -10.726 9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.064 -11.120 8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.928 -13.596 8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.522 -12.914 8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.088 -11.366 6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.612 -12.261 6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.767 -14.214 6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.157 -13.871 7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.602 -13.367 4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.700 -11.962 5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.329 -12.244 4.645 1.00 0.00 H new ATOM 655 N ALA A 43 0.537 -10.818 11.489 1.00 0.00 N ATOM 656 CA ALA A 43 1.234 -9.732 12.234 1.00 0.00 C ATOM 657 C ALA A 43 2.542 -9.352 11.536 1.00 0.00 C ATOM 658 O ALA A 43 2.991 -10.019 10.626 1.00 0.00 O ATOM 659 CB ALA A 43 1.517 -10.322 13.614 1.00 0.00 C ATOM 0 H ALA A 43 1.146 -11.472 10.997 1.00 0.00 H new ATOM 0 HA ALA A 43 0.634 -8.823 12.289 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.031 -9.582 14.228 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.577 -10.599 14.091 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.145 -11.207 13.510 1.00 0.00 H new ATOM 665 N GLN A 44 3.157 -8.284 11.963 1.00 0.00 N ATOM 666 CA GLN A 44 4.438 -7.853 11.336 1.00 0.00 C ATOM 667 C GLN A 44 5.426 -7.416 12.419 1.00 0.00 C ATOM 668 O GLN A 44 5.046 -6.857 13.428 1.00 0.00 O ATOM 669 CB GLN A 44 4.065 -6.673 10.438 1.00 0.00 C ATOM 670 CG GLN A 44 5.320 -6.144 9.742 1.00 0.00 C ATOM 671 CD GLN A 44 4.990 -4.837 9.020 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.850 -3.803 9.643 1.00 0.00 O ATOM 673 NE2 GLN A 44 4.860 -4.838 7.721 1.00 0.00 N ATOM 0 H GLN A 44 2.826 -7.689 12.722 1.00 0.00 H new ATOM 0 HA GLN A 44 4.915 -8.654 10.771 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.329 -6.985 9.697 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.605 -5.883 11.031 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.112 -5.978 10.473 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.692 -6.881 9.030 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.977 -5.705 7.197 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.641 -3.971 7.230 1.00 0.00 H new ATOM 682 N SER A 45 6.690 -7.666 12.220 1.00 0.00 N ATOM 683 CA SER A 45 7.697 -7.264 13.242 1.00 0.00 C ATOM 684 C SER A 45 7.914 -5.749 13.205 1.00 0.00 C ATOM 685 O SER A 45 7.970 -5.144 12.153 1.00 0.00 O ATOM 686 CB SER A 45 8.978 -8.000 12.848 1.00 0.00 C ATOM 687 OG SER A 45 8.744 -9.401 12.868 1.00 0.00 O ATOM 0 H SER A 45 7.069 -8.131 11.395 1.00 0.00 H new ATOM 0 HA SER A 45 7.379 -7.513 14.254 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.298 -7.688 11.854 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.783 -7.745 13.537 1.00 0.00 H new ATOM 0 HG SER A 45 8.314 -9.673 12.031 1.00 0.00 H new ATOM 693 N LEU A 46 8.035 -5.130 14.348 1.00 0.00 N ATOM 694 CA LEU A 46 8.247 -3.654 14.380 1.00 0.00 C ATOM 695 C LEU A 46 9.726 -3.327 14.160 1.00 0.00 C ATOM 696 O LEU A 46 10.073 -2.262 13.690 1.00 0.00 O ATOM 697 CB LEU A 46 7.802 -3.222 15.778 1.00 0.00 C ATOM 698 CG LEU A 46 7.970 -1.707 15.922 1.00 0.00 C ATOM 699 CD1 LEU A 46 6.733 -1.001 15.363 1.00 0.00 C ATOM 700 CD2 LEU A 46 8.135 -1.352 17.401 1.00 0.00 C ATOM 0 H LEU A 46 7.996 -5.582 15.261 1.00 0.00 H new ATOM 0 HA LEU A 46 7.690 -3.138 13.598 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.761 -3.500 15.942 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.393 -3.738 16.535 1.00 0.00 H new ATOM 0 HG LEU A 46 8.853 -1.385 15.369 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.852 0.078 15.465 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.614 -1.255 14.310 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.850 -1.322 15.915 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.255 -0.274 17.505 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.252 -1.674 17.953 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.016 -1.855 17.800 1.00 0.00 H new ATOM 712 N THR A 47 10.600 -4.235 14.498 1.00 0.00 N ATOM 713 CA THR A 47 12.057 -3.975 14.308 1.00 0.00 C ATOM 714 C THR A 47 12.548 -4.640 13.019 1.00 0.00 C ATOM 715 O THR A 47 13.488 -4.188 12.396 1.00 0.00 O ATOM 716 CB THR A 47 12.733 -4.601 15.528 1.00 0.00 C ATOM 717 OG1 THR A 47 12.426 -5.987 15.579 1.00 0.00 O ATOM 718 CG2 THR A 47 12.227 -3.918 16.800 1.00 0.00 C ATOM 0 H THR A 47 10.370 -5.145 14.897 1.00 0.00 H new ATOM 0 HA THR A 47 12.280 -2.912 14.221 1.00 0.00 H new ATOM 0 HB THR A 47 13.812 -4.470 15.452 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.860 -6.390 16.360 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.709 -4.365 17.669 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.463 -2.855 16.761 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.147 -4.047 16.878 1.00 0.00 H new ATOM 726 N THR A 48 11.919 -5.709 12.614 1.00 0.00 N ATOM 727 CA THR A 48 12.349 -6.399 11.363 1.00 0.00 C ATOM 728 C THR A 48 11.460 -5.969 10.193 1.00 0.00 C ATOM 729 O THR A 48 11.817 -6.118 9.041 1.00 0.00 O ATOM 730 CB THR A 48 12.174 -7.891 11.651 1.00 0.00 C ATOM 731 OG1 THR A 48 12.170 -8.104 13.056 1.00 0.00 O ATOM 732 CG2 THR A 48 13.326 -8.673 11.018 1.00 0.00 C ATOM 0 H THR A 48 11.126 -6.135 13.094 1.00 0.00 H new ATOM 0 HA THR A 48 13.376 -6.157 11.089 1.00 0.00 H new ATOM 0 HB THR A 48 11.230 -8.234 11.229 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.056 -9.060 13.242 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.201 -9.736 11.224 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.328 -8.510 9.940 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.272 -8.331 11.438 1.00 0.00 H new ATOM 740 N GLY A 49 10.306 -5.431 10.480 1.00 0.00 N ATOM 741 CA GLY A 49 9.394 -4.982 9.388 1.00 0.00 C ATOM 742 C GLY A 49 8.884 -6.191 8.597 1.00 0.00 C ATOM 743 O GLY A 49 8.218 -6.045 7.593 1.00 0.00 O ATOM 0 H GLY A 49 9.954 -5.282 11.426 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.552 -4.432 9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.920 -4.298 8.722 1.00 0.00 H new ATOM 747 N GLN A 50 9.192 -7.382 9.033 1.00 0.00 N ATOM 748 CA GLN A 50 8.720 -8.588 8.291 1.00 0.00 C ATOM 749 C GLN A 50 7.286 -8.939 8.696 1.00 0.00 C ATOM 750 O GLN A 50 6.836 -8.611 9.776 1.00 0.00 O ATOM 751 CB GLN A 50 9.680 -9.705 8.704 1.00 0.00 C ATOM 752 CG GLN A 50 10.817 -9.806 7.685 1.00 0.00 C ATOM 753 CD GLN A 50 11.844 -10.832 8.169 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.598 -11.557 9.113 1.00 0.00 O ATOM 755 NE2 GLN A 50 12.995 -10.924 7.561 1.00 0.00 N ATOM 0 H GLN A 50 9.747 -7.573 9.867 1.00 0.00 H new ATOM 0 HA GLN A 50 8.713 -8.430 7.213 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.084 -9.503 9.696 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.146 -10.654 8.764 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.423 -10.100 6.712 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.292 -8.833 7.556 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.203 -10.316 6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.686 -11.604 7.878 1.00 0.00 H new ATOM 764 N GLU A 51 6.567 -9.609 7.836 1.00 0.00 N ATOM 765 CA GLU A 51 5.163 -9.988 8.167 1.00 0.00 C ATOM 766 C GLU A 51 5.041 -11.511 8.259 1.00 0.00 C ATOM 767 O GLU A 51 5.547 -12.233 7.422 1.00 0.00 O ATOM 768 CB GLU A 51 4.324 -9.451 7.008 1.00 0.00 C ATOM 769 CG GLU A 51 2.896 -9.990 7.118 1.00 0.00 C ATOM 770 CD GLU A 51 2.027 -9.361 6.027 1.00 0.00 C ATOM 771 OE1 GLU A 51 2.584 -8.735 5.141 1.00 0.00 O ATOM 772 OE2 GLU A 51 0.820 -9.517 6.096 1.00 0.00 O ATOM 0 H GLU A 51 6.892 -9.911 6.917 1.00 0.00 H new ATOM 0 HA GLU A 51 4.837 -9.583 9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.315 -8.361 7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.765 -9.750 6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.897 -11.075 7.016 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.485 -9.762 8.101 1.00 0.00 H new ATOM 779 N GLY A 52 4.380 -12.009 9.269 1.00 0.00 N ATOM 780 CA GLY A 52 4.240 -13.485 9.406 1.00 0.00 C ATOM 781 C GLY A 52 2.877 -13.825 10.013 1.00 0.00 C ATOM 782 O GLY A 52 1.917 -13.092 9.868 1.00 0.00 O ATOM 0 H GLY A 52 3.933 -11.459 10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.342 -13.961 8.431 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.037 -13.878 10.037 1.00 0.00 H new ATOM 786 N PHE A 53 2.792 -14.931 10.699 1.00 0.00 N ATOM 787 CA PHE A 53 1.500 -15.330 11.330 1.00 0.00 C ATOM 788 C PHE A 53 1.699 -15.514 12.835 1.00 0.00 C ATOM 789 O PHE A 53 2.653 -16.127 13.273 1.00 0.00 O ATOM 790 CB PHE A 53 1.131 -16.660 10.670 1.00 0.00 C ATOM 791 CG PHE A 53 0.885 -16.440 9.196 1.00 0.00 C ATOM 792 CD1 PHE A 53 -0.292 -15.813 8.768 1.00 0.00 C ATOM 793 CD2 PHE A 53 1.833 -16.865 8.257 1.00 0.00 C ATOM 794 CE1 PHE A 53 -0.520 -15.611 7.402 1.00 0.00 C ATOM 795 CE2 PHE A 53 1.603 -16.662 6.891 1.00 0.00 C ATOM 796 CZ PHE A 53 0.427 -16.036 6.463 1.00 0.00 C ATOM 0 H PHE A 53 3.565 -15.579 10.851 1.00 0.00 H new ATOM 0 HA PHE A 53 0.718 -14.582 11.195 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.934 -17.383 10.811 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.240 -17.077 11.140 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.023 -15.485 9.492 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.741 -17.349 8.586 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.427 -15.127 7.072 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.334 -16.989 6.167 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.250 -15.881 5.409 1.00 0.00 H new ATOM 806 N ILE A 54 0.814 -14.985 13.633 1.00 0.00 N ATOM 807 CA ILE A 54 0.971 -15.131 15.107 1.00 0.00 C ATOM 808 C ILE A 54 -0.309 -15.692 15.733 1.00 0.00 C ATOM 809 O ILE A 54 -1.398 -15.243 15.438 1.00 0.00 O ATOM 810 CB ILE A 54 1.245 -13.716 15.619 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.023 -12.831 15.368 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.453 -13.134 14.882 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.595 -12.424 16.707 1.00 0.00 C ATOM 0 H ILE A 54 -0.007 -14.461 13.331 1.00 0.00 H new ATOM 0 HA ILE A 54 1.773 -15.822 15.366 1.00 0.00 H new ATOM 0 HB ILE A 54 1.451 -13.753 16.689 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.312 -11.944 14.804 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.710 -13.367 14.765 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.650 -12.125 15.246 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.326 -13.761 15.062 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.245 -13.100 13.813 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.466 -11.793 16.529 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.899 -13.317 17.254 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.139 -11.872 17.294 1.00 0.00 H new ATOM 825 N PRO A 55 -0.123 -16.662 16.587 1.00 0.00 N ATOM 826 CA PRO A 55 -1.298 -17.271 17.258 1.00 0.00 C ATOM 827 C PRO A 55 -1.968 -16.249 18.181 1.00 0.00 C ATOM 828 O PRO A 55 -1.360 -15.284 18.598 1.00 0.00 O ATOM 829 CB PRO A 55 -0.709 -18.434 18.050 1.00 0.00 C ATOM 830 CG PRO A 55 0.718 -18.068 18.275 1.00 0.00 C ATOM 831 CD PRO A 55 1.137 -17.187 17.129 1.00 0.00 C ATOM 0 HA PRO A 55 -2.069 -17.599 16.561 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.234 -18.573 18.995 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.793 -19.370 17.498 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.836 -17.546 19.225 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.341 -18.961 18.322 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.790 -16.382 17.466 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.688 -17.751 16.376 1.00 0.00 H new ATOM 839 N PHE A 56 -3.221 -16.444 18.487 1.00 0.00 N ATOM 840 CA PHE A 56 -3.934 -15.470 19.366 1.00 0.00 C ATOM 841 C PHE A 56 -3.766 -15.828 20.848 1.00 0.00 C ATOM 842 O PHE A 56 -4.261 -15.136 21.716 1.00 0.00 O ATOM 843 CB PHE A 56 -5.405 -15.569 18.950 1.00 0.00 C ATOM 844 CG PHE A 56 -6.033 -16.801 19.562 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.885 -18.047 18.940 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.760 -16.695 20.754 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.467 -19.187 19.509 1.00 0.00 C ATOM 848 CE2 PHE A 56 -7.341 -17.836 21.323 1.00 0.00 C ATOM 849 CZ PHE A 56 -7.195 -19.081 20.700 1.00 0.00 C ATOM 0 H PHE A 56 -3.783 -17.234 18.168 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.538 -14.461 19.253 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.944 -14.678 19.272 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.482 -15.613 17.864 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.322 -18.129 18.022 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.873 -15.734 21.235 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.354 -20.148 19.029 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.902 -17.755 22.243 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.644 -19.960 21.138 1.00 0.00 H new ATOM 859 N ASN A 57 -3.086 -16.902 21.154 1.00 0.00 N ATOM 860 CA ASN A 57 -2.918 -17.280 22.590 1.00 0.00 C ATOM 861 C ASN A 57 -1.548 -16.840 23.119 1.00 0.00 C ATOM 862 O ASN A 57 -1.376 -16.625 24.302 1.00 0.00 O ATOM 863 CB ASN A 57 -3.042 -18.805 22.617 1.00 0.00 C ATOM 864 CG ASN A 57 -1.994 -19.425 21.690 1.00 0.00 C ATOM 865 OD1 ASN A 57 -1.212 -18.723 21.082 1.00 0.00 O ATOM 866 ND2 ASN A 57 -1.945 -20.723 21.558 1.00 0.00 N ATOM 0 H ASN A 57 -2.644 -17.528 20.481 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.660 -16.796 23.224 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.905 -19.173 23.634 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.042 -19.104 22.302 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.250 -21.147 20.944 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.602 -21.313 22.069 1.00 0.00 H new ATOM 873 N PHE A 58 -0.569 -16.708 22.264 1.00 0.00 N ATOM 874 CA PHE A 58 0.780 -16.286 22.744 1.00 0.00 C ATOM 875 C PHE A 58 0.928 -14.764 22.661 1.00 0.00 C ATOM 876 O PHE A 58 1.925 -14.207 23.072 1.00 0.00 O ATOM 877 CB PHE A 58 1.775 -16.975 21.810 1.00 0.00 C ATOM 878 CG PHE A 58 1.495 -18.460 21.779 1.00 0.00 C ATOM 879 CD1 PHE A 58 0.878 -19.082 22.872 1.00 0.00 C ATOM 880 CD2 PHE A 58 1.854 -19.215 20.657 1.00 0.00 C ATOM 881 CE1 PHE A 58 0.620 -20.457 22.841 1.00 0.00 C ATOM 882 CE2 PHE A 58 1.596 -20.591 20.626 1.00 0.00 C ATOM 883 CZ PHE A 58 0.979 -21.212 21.719 1.00 0.00 C ATOM 0 H PHE A 58 -0.643 -16.873 21.260 1.00 0.00 H new ATOM 0 HA PHE A 58 0.945 -16.561 23.786 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.695 -16.558 20.806 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.795 -16.794 22.150 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.601 -18.500 23.739 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.330 -18.736 19.814 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.143 -20.936 23.684 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.873 -21.173 19.759 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.780 -22.273 21.696 1.00 0.00 H new ATOM 893 N VAL A 59 -0.054 -14.086 22.135 1.00 0.00 N ATOM 894 CA VAL A 59 0.041 -12.601 22.033 1.00 0.00 C ATOM 895 C VAL A 59 -1.192 -11.950 22.667 1.00 0.00 C ATOM 896 O VAL A 59 -2.288 -12.466 22.584 1.00 0.00 O ATOM 897 CB VAL A 59 0.094 -12.308 20.534 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.274 -13.055 19.910 1.00 0.00 C ATOM 899 CG2 VAL A 59 -1.209 -12.771 19.879 1.00 0.00 C ATOM 0 H VAL A 59 -0.916 -14.493 21.772 1.00 0.00 H new ATOM 0 HA VAL A 59 0.913 -12.205 22.554 1.00 0.00 H new ATOM 0 HB VAL A 59 0.219 -11.237 20.376 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.312 -12.846 18.841 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.202 -12.725 20.378 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.150 -14.127 20.066 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.173 -12.563 18.810 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.334 -13.842 20.036 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.049 -12.238 20.324 1.00 0.00 H new ATOM 909 N ALA A 60 -1.021 -10.822 23.302 1.00 0.00 N ATOM 910 CA ALA A 60 -2.186 -10.146 23.941 1.00 0.00 C ATOM 911 C ALA A 60 -2.139 -8.638 23.675 1.00 0.00 C ATOM 912 O ALA A 60 -1.142 -8.106 23.231 1.00 0.00 O ATOM 913 CB ALA A 60 -2.036 -10.430 25.435 1.00 0.00 C ATOM 0 H ALA A 60 -0.128 -10.341 23.406 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.137 -10.506 23.549 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.858 -9.964 25.978 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.053 -11.507 25.604 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.090 -10.022 25.790 1.00 0.00 H new ATOM 919 N LYS A 61 -3.213 -7.948 23.946 1.00 0.00 N ATOM 920 CA LYS A 61 -3.235 -6.475 23.711 1.00 0.00 C ATOM 921 C LYS A 61 -2.263 -5.773 24.664 1.00 0.00 C ATOM 922 O LYS A 61 -2.239 -6.041 25.849 1.00 0.00 O ATOM 923 CB LYS A 61 -4.674 -6.050 24.006 1.00 0.00 C ATOM 924 CG LYS A 61 -4.882 -4.603 23.552 1.00 0.00 C ATOM 925 CD LYS A 61 -6.299 -4.154 23.914 1.00 0.00 C ATOM 926 CE LYS A 61 -6.585 -2.797 23.268 1.00 0.00 C ATOM 927 NZ LYS A 61 -6.931 -1.899 24.405 1.00 0.00 N ATOM 0 H LYS A 61 -4.077 -8.340 24.320 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.931 -6.213 22.697 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.372 -6.708 23.489 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.880 -6.141 25.072 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.150 -3.952 24.029 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.727 -4.522 22.476 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.024 -4.892 23.571 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.404 -4.083 24.997 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.717 -2.428 22.723 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.405 -2.864 22.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.141 -0.947 24.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.765 -2.273 24.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.129 -1.850 25.065 1.00 0.00 H new ATOM 941 N ALA A 62 -1.463 -4.877 24.157 1.00 0.00 N ATOM 942 CA ALA A 62 -0.495 -4.160 25.036 1.00 0.00 C ATOM 943 C ALA A 62 -1.244 -3.351 26.098 1.00 0.00 C ATOM 944 O ALA A 62 -2.323 -2.847 25.861 1.00 0.00 O ATOM 945 CB ALA A 62 0.275 -3.230 24.098 1.00 0.00 C ATOM 0 H ALA A 62 -1.437 -4.610 23.173 1.00 0.00 H new ATOM 0 HA ALA A 62 0.167 -4.844 25.567 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.010 -2.664 24.670 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.784 -3.821 23.337 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.420 -2.541 23.618 1.00 0.00 H new ATOM 951 N ASN A 63 -0.680 -3.224 27.268 1.00 0.00 N ATOM 952 CA ASN A 63 -1.361 -2.447 28.344 1.00 0.00 C ATOM 953 C ASN A 63 -0.352 -1.554 29.070 1.00 0.00 C ATOM 954 O ASN A 63 0.365 -2.067 29.914 1.00 0.00 O ATOM 955 CB ASN A 63 -1.926 -3.502 29.295 1.00 0.00 C ATOM 956 CG ASN A 63 -2.893 -4.412 28.534 1.00 0.00 C ATOM 957 OD1 ASN A 63 -3.671 -3.948 27.723 1.00 0.00 O ATOM 958 ND2 ASN A 63 -2.876 -5.696 28.761 1.00 0.00 N ATOM 959 OXT ASN A 63 -0.314 -0.371 28.770 1.00 0.00 O ATOM 0 H ASN A 63 0.222 -3.624 27.526 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.140 -1.792 27.953 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.116 -4.092 29.723 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.442 -3.019 30.125 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.515 -6.311 28.258 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.223 -6.085 29.441 1.00 0.00 H new TER 966 ASN A 63