USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 386 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 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 36 THR OG1 : rot -22:sc= 1.01! USER MOD Set 2.2: A 38 THR OG1 : rot 92:sc= 1.05 USER MOD Set 3.1: A 18 ASN : amide:sc= -2.81! C(o=-14!,f=-16!) USER MOD Set 3.2: A 35 ASN : amide:sc= -11! C(o=-14!,f=-10!) 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 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 39:sc= 0.396 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl 178:sc= 0 (180deg=-0.00556) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 120:sc= 0.178 USER MOD Single : A 26 ASN : amide:sc= -0.0752 K(o=-0.075,f=-2.1!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -1.83! X(o=-1.8!,f=-1.9) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.85! C(o=-1.9!,f=-6.8!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc=-0.00316 K(o=-0.0032,f=-1.2) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.605 -8.459 -26.457 1.00 0.00 N ATOM 2 CA GLY A 1 5.940 -7.694 -27.497 1.00 0.00 C ATOM 3 C GLY A 1 4.983 -6.662 -26.934 1.00 0.00 C ATOM 4 O GLY A 1 3.774 -6.744 -27.150 1.00 0.00 O ATOM 0 H1 GLY A 1 7.248 -9.151 -26.892 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.149 -7.816 -25.847 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.894 -8.959 -25.886 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.689 -7.194 -28.111 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.393 -8.374 -28.151 1.00 0.00 H new ATOM 8 N SER A 2 5.525 -5.688 -26.210 1.00 0.00 N ATOM 9 CA SER A 2 4.710 -4.637 -25.611 1.00 0.00 C ATOM 10 C SER A 2 4.053 -3.778 -26.687 1.00 0.00 C ATOM 11 O SER A 2 4.728 -3.242 -27.566 1.00 0.00 O ATOM 12 CB SER A 2 5.565 -3.761 -24.693 1.00 0.00 C ATOM 13 OG SER A 2 6.270 -4.547 -23.748 1.00 0.00 O ATOM 0 H SER A 2 6.524 -5.605 -26.024 1.00 0.00 H new ATOM 0 HA SER A 2 3.925 -5.111 -25.022 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.271 -3.184 -25.290 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.929 -3.045 -24.173 1.00 0.00 H new ATOM 0 HG SER A 2 6.810 -3.963 -23.175 1.00 0.00 H new ATOM 19 N SER A 3 2.732 -3.651 -26.610 1.00 0.00 N ATOM 20 CA SER A 3 1.982 -2.861 -27.579 1.00 0.00 C ATOM 21 C SER A 3 0.534 -2.685 -27.132 1.00 0.00 C ATOM 22 O SER A 3 0.000 -3.502 -26.384 1.00 0.00 O ATOM 23 CB SER A 3 2.026 -3.527 -28.955 1.00 0.00 C ATOM 24 OG SER A 3 1.119 -4.614 -29.025 1.00 0.00 O ATOM 0 H SER A 3 2.159 -4.085 -25.886 1.00 0.00 H new ATOM 0 HA SER A 3 2.446 -1.877 -27.645 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.781 -2.795 -29.725 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.037 -3.879 -29.160 1.00 0.00 H new ATOM 0 HG SER A 3 1.165 -5.022 -29.915 1.00 0.00 H new ATOM 30 N GLY A 4 -0.096 -1.610 -27.597 1.00 0.00 N ATOM 31 CA GLY A 4 -1.476 -1.345 -27.235 1.00 0.00 C ATOM 32 C GLY A 4 -1.595 -0.423 -26.038 1.00 0.00 C ATOM 33 O GLY A 4 -0.687 0.359 -25.755 1.00 0.00 O ATOM 0 H GLY A 4 0.325 -0.918 -28.218 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.992 -0.900 -28.085 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.978 -2.287 -27.015 1.00 0.00 H new ATOM 37 N SER A 5 -2.718 -0.513 -25.333 1.00 0.00 N ATOM 38 CA SER A 5 -2.954 0.324 -24.162 1.00 0.00 C ATOM 39 C SER A 5 -3.185 -0.531 -22.920 1.00 0.00 C ATOM 40 O SER A 5 -4.237 -1.151 -22.766 1.00 0.00 O ATOM 41 CB SER A 5 -4.160 1.237 -24.397 1.00 0.00 C ATOM 42 OG SER A 5 -5.295 0.489 -24.796 1.00 0.00 O ATOM 0 H SER A 5 -3.478 -1.157 -25.552 1.00 0.00 H new ATOM 0 HA SER A 5 -2.068 0.937 -24.000 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.386 1.788 -23.484 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.919 1.974 -25.163 1.00 0.00 H new ATOM 0 HG SER A 5 -5.324 -0.353 -24.296 1.00 0.00 H new ATOM 48 N SER A 6 -2.191 -0.561 -22.037 1.00 0.00 N ATOM 49 CA SER A 6 -2.282 -1.343 -20.810 1.00 0.00 C ATOM 50 C SER A 6 -3.093 -0.601 -19.751 1.00 0.00 C ATOM 51 O SER A 6 -2.663 0.430 -19.234 1.00 0.00 O ATOM 52 CB SER A 6 -0.884 -1.653 -20.273 1.00 0.00 C ATOM 53 OG SER A 6 -0.319 -2.770 -20.938 1.00 0.00 O ATOM 0 H SER A 6 -1.314 -0.053 -22.149 1.00 0.00 H new ATOM 0 HA SER A 6 -2.790 -2.279 -21.042 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.240 -0.784 -20.404 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.938 -1.852 -19.203 1.00 0.00 H new ATOM 0 HG SER A 6 0.575 -2.947 -20.578 1.00 0.00 H new ATOM 59 N GLY A 7 -4.269 -1.133 -19.435 1.00 0.00 N ATOM 60 CA GLY A 7 -5.122 -0.508 -18.440 1.00 0.00 C ATOM 61 C GLY A 7 -5.205 -1.315 -17.159 1.00 0.00 C ATOM 62 O GLY A 7 -4.197 -1.827 -16.674 1.00 0.00 O ATOM 0 H GLY A 7 -4.647 -1.985 -19.849 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.742 0.488 -18.214 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.123 -0.382 -18.852 1.00 0.00 H new ATOM 66 N ALA A 8 -6.410 -1.428 -16.610 1.00 0.00 N ATOM 67 CA ALA A 8 -6.622 -2.178 -15.378 1.00 0.00 C ATOM 68 C ALA A 8 -7.323 -3.503 -15.656 1.00 0.00 C ATOM 69 O ALA A 8 -8.546 -3.600 -15.557 1.00 0.00 O ATOM 70 CB ALA A 8 -7.426 -1.350 -14.387 1.00 0.00 C ATOM 0 H ALA A 8 -7.255 -1.009 -16.999 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.647 -2.397 -14.943 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.576 -1.923 -13.472 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.885 -0.433 -14.156 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.394 -1.100 -14.822 1.00 0.00 H new ATOM 76 N GLU A 9 -6.542 -4.520 -16.005 1.00 0.00 N ATOM 77 CA GLU A 9 -7.090 -5.839 -16.299 1.00 0.00 C ATOM 78 C GLU A 9 -6.551 -6.882 -15.325 1.00 0.00 C ATOM 79 O GLU A 9 -6.695 -8.084 -15.543 1.00 0.00 O ATOM 80 CB GLU A 9 -6.756 -6.246 -17.736 1.00 0.00 C ATOM 81 CG GLU A 9 -5.275 -6.495 -17.969 1.00 0.00 C ATOM 82 CD GLU A 9 -4.998 -7.153 -19.307 1.00 0.00 C ATOM 83 OE1 GLU A 9 -5.640 -6.764 -20.305 1.00 0.00 O ATOM 84 OE2 GLU A 9 -4.139 -8.058 -19.355 1.00 0.00 O ATOM 0 H GLU A 9 -5.528 -4.456 -16.091 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.173 -5.787 -16.186 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.312 -7.149 -17.987 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.096 -5.464 -18.415 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.738 -5.548 -17.916 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.886 -7.127 -17.170 1.00 0.00 H new ATOM 91 N ASP A 10 -5.928 -6.411 -14.249 1.00 0.00 N ATOM 92 CA ASP A 10 -5.367 -7.302 -13.240 1.00 0.00 C ATOM 93 C ASP A 10 -5.052 -6.540 -11.957 1.00 0.00 C ATOM 94 O ASP A 10 -4.254 -5.603 -11.960 1.00 0.00 O ATOM 95 CB ASP A 10 -4.101 -7.977 -13.771 1.00 0.00 C ATOM 96 CG ASP A 10 -3.639 -9.118 -12.888 1.00 0.00 C ATOM 97 OD1 ASP A 10 -4.390 -10.107 -12.754 1.00 0.00 O ATOM 98 OD2 ASP A 10 -2.525 -9.023 -12.330 1.00 0.00 O ATOM 0 H ASP A 10 -5.799 -5.418 -14.054 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.109 -8.067 -13.014 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.288 -8.353 -14.777 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.304 -7.237 -13.850 1.00 0.00 H new ATOM 103 N ASN A 11 -5.684 -6.948 -10.862 1.00 0.00 N ATOM 104 CA ASN A 11 -5.472 -6.302 -9.571 1.00 0.00 C ATOM 105 C ASN A 11 -4.001 -6.357 -9.171 1.00 0.00 C ATOM 106 O ASN A 11 -3.448 -7.434 -8.943 1.00 0.00 O ATOM 107 CB ASN A 11 -6.331 -6.970 -8.496 1.00 0.00 C ATOM 108 CG ASN A 11 -7.745 -6.424 -8.463 1.00 0.00 C ATOM 109 OD1 ASN A 11 -7.995 -5.348 -7.921 1.00 0.00 O ATOM 110 ND2 ASN A 11 -8.679 -7.167 -9.045 1.00 0.00 N ATOM 0 H ASN A 11 -6.347 -7.723 -10.842 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.766 -5.256 -9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.364 -8.044 -8.677 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.866 -6.825 -7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.649 -6.852 -9.055 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.426 -8.053 -9.483 1.00 0.00 H new ATOM 117 N LEU A 12 -3.373 -5.189 -9.085 1.00 0.00 N ATOM 118 CA LEU A 12 -1.965 -5.104 -8.711 1.00 0.00 C ATOM 119 C LEU A 12 -1.720 -5.766 -7.359 1.00 0.00 C ATOM 120 O LEU A 12 -2.658 -6.185 -6.682 1.00 0.00 O ATOM 121 CB LEU A 12 -1.518 -3.641 -8.664 1.00 0.00 C ATOM 122 CG LEU A 12 -1.151 -3.008 -10.006 1.00 0.00 C ATOM 123 CD1 LEU A 12 -1.440 -1.515 -9.988 1.00 0.00 C ATOM 124 CD2 LEU A 12 0.312 -3.267 -10.336 1.00 0.00 C ATOM 0 H LEU A 12 -3.816 -4.289 -9.269 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.381 -5.633 -9.464 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.317 -3.052 -8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.655 -3.567 -8.002 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.764 -3.466 -10.782 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.173 -1.081 -10.951 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.501 -1.352 -9.798 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.854 -1.040 -9.201 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.555 -2.809 -11.295 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.942 -2.836 -9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.488 -4.341 -10.392 1.00 0.00 H new ATOM 136 N GLY A 13 -0.451 -5.857 -6.972 1.00 0.00 N ATOM 137 CA GLY A 13 -0.105 -6.467 -5.701 1.00 0.00 C ATOM 138 C GLY A 13 -0.234 -5.502 -4.540 1.00 0.00 C ATOM 139 O GLY A 13 -0.470 -4.307 -4.721 1.00 0.00 O ATOM 0 H GLY A 13 0.343 -5.519 -7.516 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.751 -7.328 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.918 -6.840 -5.747 1.00 0.00 H new ATOM 143 N PRO A 14 -0.078 -6.022 -3.313 1.00 0.00 N ATOM 144 CA PRO A 14 -0.175 -5.215 -2.093 1.00 0.00 C ATOM 145 C PRO A 14 0.997 -4.252 -1.941 1.00 0.00 C ATOM 146 O PRO A 14 2.150 -4.617 -2.177 1.00 0.00 O ATOM 147 CB PRO A 14 -0.158 -6.260 -0.975 1.00 0.00 C ATOM 148 CG PRO A 14 0.554 -7.430 -1.560 1.00 0.00 C ATOM 149 CD PRO A 14 0.205 -7.437 -3.023 1.00 0.00 C ATOM 0 HA PRO A 14 -1.063 -4.583 -2.091 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.357 -5.885 -0.091 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.169 -6.526 -0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.631 -7.344 -1.416 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.242 -8.357 -1.080 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.027 -7.815 -3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.659 -8.070 -3.227 1.00 0.00 H new ATOM 157 N LEU A 15 0.697 -3.020 -1.544 1.00 0.00 N ATOM 158 CA LEU A 15 1.727 -2.003 -1.359 1.00 0.00 C ATOM 159 C LEU A 15 2.983 -2.607 -0.739 1.00 0.00 C ATOM 160 O LEU A 15 2.936 -3.626 -0.049 1.00 0.00 O ATOM 161 CB LEU A 15 1.201 -0.872 -0.474 1.00 0.00 C ATOM 162 CG LEU A 15 0.244 0.115 -1.144 1.00 0.00 C ATOM 163 CD1 LEU A 15 -0.736 0.681 -0.129 1.00 0.00 C ATOM 164 CD2 LEU A 15 1.021 1.235 -1.821 1.00 0.00 C ATOM 0 H LEU A 15 -0.251 -2.701 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 15 1.985 -1.600 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.693 -1.314 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.054 -0.314 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.323 -0.419 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.409 1.381 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.316 -0.131 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.187 1.200 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.324 1.928 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.615 1.767 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.682 0.813 -2.579 1.00 0.00 H new ATOM 176 N PRO A 16 4.134 -1.964 -0.988 1.00 0.00 N ATOM 177 CA PRO A 16 5.424 -2.419 -0.461 1.00 0.00 C ATOM 178 C PRO A 16 5.532 -2.231 1.048 1.00 0.00 C ATOM 179 O PRO A 16 4.532 -2.003 1.727 1.00 0.00 O ATOM 180 CB PRO A 16 6.436 -1.527 -1.184 1.00 0.00 C ATOM 181 CG PRO A 16 5.674 -0.296 -1.536 1.00 0.00 C ATOM 182 CD PRO A 16 4.263 -0.745 -1.802 1.00 0.00 C ATOM 0 HA PRO A 16 5.579 -3.485 -0.627 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.288 -1.296 -0.544 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.830 -2.017 -2.075 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.706 0.429 -0.723 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.101 0.190 -2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.538 0.013 -1.507 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.099 -0.949 -2.860 1.00 0.00 H new ATOM 190 N GLU A 17 6.753 -2.329 1.566 1.00 0.00 N ATOM 191 CA GLU A 17 6.990 -2.170 2.996 1.00 0.00 C ATOM 192 C GLU A 17 7.485 -0.762 3.313 1.00 0.00 C ATOM 193 O GLU A 17 7.452 -0.325 4.462 1.00 0.00 O ATOM 194 CB GLU A 17 8.009 -3.202 3.484 1.00 0.00 C ATOM 195 CG GLU A 17 9.410 -2.978 2.941 1.00 0.00 C ATOM 196 CD GLU A 17 10.437 -3.892 3.582 1.00 0.00 C ATOM 197 OE1 GLU A 17 10.042 -4.962 4.091 1.00 0.00 O ATOM 198 OE2 GLU A 17 11.634 -3.537 3.575 1.00 0.00 O ATOM 0 H GLU A 17 7.592 -2.517 1.017 1.00 0.00 H new ATOM 0 HA GLU A 17 6.045 -2.329 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.043 -3.180 4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.672 -4.198 3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.408 -3.139 1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.699 -1.940 3.107 1.00 0.00 H new ATOM 205 N ASN A 18 7.943 -0.057 2.284 1.00 0.00 N ATOM 206 CA ASN A 18 8.446 1.302 2.451 1.00 0.00 C ATOM 207 C ASN A 18 7.364 2.327 2.123 1.00 0.00 C ATOM 208 O ASN A 18 7.662 3.480 1.812 1.00 0.00 O ATOM 209 CB ASN A 18 9.667 1.529 1.558 1.00 0.00 C ATOM 210 CG ASN A 18 9.568 0.784 0.242 1.00 0.00 C ATOM 211 OD1 ASN A 18 9.341 -0.426 0.216 1.00 0.00 O ATOM 212 ND2 ASN A 18 9.739 1.504 -0.861 1.00 0.00 N ATOM 0 H ASN A 18 7.976 -0.404 1.325 1.00 0.00 H new ATOM 0 HA ASN A 18 8.738 1.429 3.493 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.776 2.595 1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.565 1.209 2.087 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.684 1.056 -1.776 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.925 2.505 -0.793 1.00 0.00 H new ATOM 219 N TRP A 19 6.109 1.898 2.196 1.00 0.00 N ATOM 220 CA TRP A 19 4.983 2.778 1.907 1.00 0.00 C ATOM 221 C TRP A 19 3.873 2.597 2.936 1.00 0.00 C ATOM 222 O TRP A 19 3.775 1.552 3.579 1.00 0.00 O ATOM 223 CB TRP A 19 4.443 2.505 0.503 1.00 0.00 C ATOM 224 CG TRP A 19 5.334 3.020 -0.587 1.00 0.00 C ATOM 225 CD1 TRP A 19 6.588 2.579 -0.897 1.00 0.00 C ATOM 226 CD2 TRP A 19 5.038 4.075 -1.509 1.00 0.00 C ATOM 227 NE1 TRP A 19 7.090 3.296 -1.956 1.00 0.00 N ATOM 228 CE2 TRP A 19 6.158 4.219 -2.351 1.00 0.00 C ATOM 229 CE3 TRP A 19 3.935 4.910 -1.708 1.00 0.00 C ATOM 230 CZ2 TRP A 19 6.206 5.164 -3.371 1.00 0.00 C ATOM 231 CZ3 TRP A 19 3.984 5.848 -2.721 1.00 0.00 C ATOM 232 CH2 TRP A 19 5.112 5.969 -3.543 1.00 0.00 C ATOM 0 H TRP A 19 5.846 0.947 2.453 1.00 0.00 H new ATOM 0 HA TRP A 19 5.336 3.808 1.959 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.309 1.431 0.376 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.459 2.963 0.405 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.109 1.783 -0.385 1.00 0.00 H new ATOM 0 HE1 TRP A 19 8.008 3.163 -2.380 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.060 4.823 -1.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.075 5.259 -4.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 3.138 6.500 -2.882 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.119 6.711 -4.327 1.00 0.00 H new ATOM 243 N GLU A 20 3.039 3.621 3.088 1.00 0.00 N ATOM 244 CA GLU A 20 1.936 3.573 4.040 1.00 0.00 C ATOM 245 C GLU A 20 0.767 4.430 3.563 1.00 0.00 C ATOM 246 O GLU A 20 0.878 5.651 3.465 1.00 0.00 O ATOM 247 CB GLU A 20 2.402 4.049 5.418 1.00 0.00 C ATOM 248 CG GLU A 20 1.651 3.403 6.571 1.00 0.00 C ATOM 249 CD GLU A 20 2.484 3.321 7.835 1.00 0.00 C ATOM 250 OE1 GLU A 20 3.226 4.284 8.120 1.00 0.00 O ATOM 251 OE2 GLU A 20 2.393 2.294 8.540 1.00 0.00 O ATOM 0 H GLU A 20 3.106 4.494 2.564 1.00 0.00 H new ATOM 0 HA GLU A 20 1.599 2.539 4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.466 3.839 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.283 5.131 5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.744 3.973 6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.339 2.400 6.280 1.00 0.00 H new ATOM 258 N MET A 21 -0.353 3.779 3.266 1.00 0.00 N ATOM 259 CA MET A 21 -1.544 4.480 2.799 1.00 0.00 C ATOM 260 C MET A 21 -2.428 4.891 3.973 1.00 0.00 C ATOM 261 O MET A 21 -2.931 4.043 4.709 1.00 0.00 O ATOM 262 CB MET A 21 -2.336 3.598 1.833 1.00 0.00 C ATOM 263 CG MET A 21 -3.540 4.295 1.222 1.00 0.00 C ATOM 264 SD MET A 21 -4.257 3.369 -0.149 1.00 0.00 S ATOM 265 CE MET A 21 -5.060 2.031 0.729 1.00 0.00 C ATOM 0 H MET A 21 -0.461 2.767 3.340 1.00 0.00 H new ATOM 0 HA MET A 21 -1.223 5.381 2.276 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.675 3.265 1.033 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.672 2.706 2.361 1.00 0.00 H new ATOM 0 HG2 MET A 21 -4.298 4.443 1.991 1.00 0.00 H new ATOM 0 HG3 MET A 21 -3.244 5.284 0.872 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.580 1.390 0.018 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.312 1.447 1.265 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.777 2.441 1.440 1.00 0.00 H new ATOM 275 N ALA A 22 -2.612 6.196 4.141 1.00 0.00 N ATOM 276 CA ALA A 22 -3.437 6.718 5.223 1.00 0.00 C ATOM 277 C ALA A 22 -4.287 7.892 4.749 1.00 0.00 C ATOM 278 O ALA A 22 -3.977 8.528 3.741 1.00 0.00 O ATOM 279 CB ALA A 22 -2.564 7.136 6.397 1.00 0.00 C ATOM 0 H ALA A 22 -2.201 6.911 3.541 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.110 5.925 5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.193 7.524 7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.005 6.274 6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.868 7.910 6.075 1.00 0.00 H new ATOM 285 N TYR A 23 -5.359 8.174 5.481 1.00 0.00 N ATOM 286 CA TYR A 23 -6.256 9.269 5.133 1.00 0.00 C ATOM 287 C TYR A 23 -6.033 10.468 6.050 1.00 0.00 C ATOM 288 O TYR A 23 -5.719 10.312 7.231 1.00 0.00 O ATOM 289 CB TYR A 23 -7.712 8.811 5.219 1.00 0.00 C ATOM 290 CG TYR A 23 -8.003 7.562 4.417 1.00 0.00 C ATOM 291 CD1 TYR A 23 -7.407 6.350 4.743 1.00 0.00 C ATOM 292 CD2 TYR A 23 -8.872 7.595 3.334 1.00 0.00 C ATOM 293 CE1 TYR A 23 -7.669 5.207 4.014 1.00 0.00 C ATOM 294 CE2 TYR A 23 -9.140 6.456 2.599 1.00 0.00 C ATOM 295 CZ TYR A 23 -8.536 5.265 2.943 1.00 0.00 C ATOM 296 OH TYR A 23 -8.800 4.128 2.213 1.00 0.00 O ATOM 0 H TYR A 23 -5.628 7.659 6.319 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.038 9.572 4.109 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.966 8.629 6.263 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.358 9.616 4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.727 6.301 5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.346 8.526 3.062 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.198 4.273 4.281 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.819 6.498 1.760 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.431 4.340 1.494 1.00 0.00 H new ATOM 306 N THR A 24 -6.197 11.666 5.498 1.00 0.00 N ATOM 307 CA THR A 24 -6.014 12.892 6.264 1.00 0.00 C ATOM 308 C THR A 24 -7.176 13.120 7.224 1.00 0.00 C ATOM 309 O THR A 24 -8.185 12.416 7.169 1.00 0.00 O ATOM 310 CB THR A 24 -5.880 14.117 5.340 1.00 0.00 C ATOM 311 OG1 THR A 24 -7.103 14.330 4.627 1.00 0.00 O ATOM 312 CG2 THR A 24 -4.738 13.928 4.353 1.00 0.00 C ATOM 0 H THR A 24 -6.456 11.813 4.523 1.00 0.00 H new ATOM 0 HA THR A 24 -5.093 12.773 6.834 1.00 0.00 H new ATOM 0 HB THR A 24 -5.665 14.988 5.958 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.458 15.217 4.844 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.663 14.806 3.711 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.804 13.796 4.899 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.928 13.046 3.741 1.00 0.00 H new ATOM 320 N GLU A 25 -7.028 14.106 8.103 1.00 0.00 N ATOM 321 CA GLU A 25 -8.067 14.425 9.075 1.00 0.00 C ATOM 322 C GLU A 25 -9.432 14.521 8.401 1.00 0.00 C ATOM 323 O GLU A 25 -10.406 13.927 8.860 1.00 0.00 O ATOM 324 CB GLU A 25 -7.744 15.740 9.788 1.00 0.00 C ATOM 325 CG GLU A 25 -6.641 15.615 10.826 1.00 0.00 C ATOM 326 CD GLU A 25 -6.463 16.880 11.643 1.00 0.00 C ATOM 327 OE1 GLU A 25 -5.707 17.771 11.201 1.00 0.00 O ATOM 328 OE2 GLU A 25 -7.080 16.978 12.724 1.00 0.00 O ATOM 0 H GLU A 25 -6.199 14.697 8.162 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.100 13.621 9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.451 16.483 9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.647 16.112 10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.868 14.784 11.494 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.703 15.374 10.326 1.00 0.00 H new ATOM 335 N ASN A 26 -9.494 15.276 7.308 1.00 0.00 N ATOM 336 CA ASN A 26 -10.740 15.452 6.570 1.00 0.00 C ATOM 337 C ASN A 26 -11.235 14.120 6.014 1.00 0.00 C ATOM 338 O ASN A 26 -12.434 13.844 6.010 1.00 0.00 O ATOM 339 CB ASN A 26 -10.544 16.453 5.430 1.00 0.00 C ATOM 340 CG ASN A 26 -11.819 17.202 5.094 1.00 0.00 C ATOM 341 OD1 ASN A 26 -12.851 17.016 5.739 1.00 0.00 O ATOM 342 ND2 ASN A 26 -11.753 18.055 4.078 1.00 0.00 N ATOM 0 H ASN A 26 -8.696 15.775 6.914 1.00 0.00 H new ATOM 0 HA ASN A 26 -11.491 15.839 7.259 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -9.768 17.167 5.706 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -10.191 15.926 4.544 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -12.579 18.587 3.805 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -10.876 18.178 3.571 1.00 0.00 H new ATOM 349 N GLY A 27 -10.302 13.297 5.545 1.00 0.00 N ATOM 350 CA GLY A 27 -10.663 12.004 4.993 1.00 0.00 C ATOM 351 C GLY A 27 -10.053 11.767 3.626 1.00 0.00 C ATOM 352 O GLY A 27 -10.509 10.903 2.877 1.00 0.00 O ATOM 0 H GLY A 27 -9.303 13.502 5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.337 11.218 5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.748 11.933 4.920 1.00 0.00 H new ATOM 356 N GLU A 28 -9.020 12.537 3.299 1.00 0.00 N ATOM 357 CA GLU A 28 -8.348 12.406 2.011 1.00 0.00 C ATOM 358 C GLU A 28 -7.331 11.270 2.040 1.00 0.00 C ATOM 359 O GLU A 28 -6.367 11.304 2.805 1.00 0.00 O ATOM 360 CB GLU A 28 -7.654 13.718 1.637 1.00 0.00 C ATOM 361 CG GLU A 28 -8.530 14.945 1.825 1.00 0.00 C ATOM 362 CD GLU A 28 -8.168 16.071 0.875 1.00 0.00 C ATOM 363 OE1 GLU A 28 -7.022 16.562 0.948 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.030 16.460 0.061 1.00 0.00 O ATOM 0 H GLU A 28 -8.630 13.257 3.907 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.102 12.175 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.754 13.828 2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.334 13.666 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.573 14.669 1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.439 15.298 2.852 1.00 0.00 H new ATOM 371 N VAL A 29 -7.553 10.262 1.202 1.00 0.00 N ATOM 372 CA VAL A 29 -6.656 9.115 1.130 1.00 0.00 C ATOM 373 C VAL A 29 -5.371 9.467 0.390 1.00 0.00 C ATOM 374 O VAL A 29 -5.402 9.854 -0.779 1.00 0.00 O ATOM 375 CB VAL A 29 -7.329 7.920 0.429 1.00 0.00 C ATOM 376 CG1 VAL A 29 -7.461 8.182 -1.064 1.00 0.00 C ATOM 377 CG2 VAL A 29 -6.545 6.641 0.687 1.00 0.00 C ATOM 0 H VAL A 29 -8.347 10.217 0.563 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.415 8.837 2.156 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.330 7.795 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.939 7.327 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.067 9.073 -1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.472 8.334 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.034 5.807 0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.531 6.752 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.507 6.447 1.759 1.00 0.00 H new ATOM 387 N TYR A 30 -4.243 9.330 1.077 1.00 0.00 N ATOM 388 CA TYR A 30 -2.946 9.635 0.485 1.00 0.00 C ATOM 389 C TYR A 30 -1.973 8.476 0.677 1.00 0.00 C ATOM 390 O TYR A 30 -2.227 7.559 1.458 1.00 0.00 O ATOM 391 CB TYR A 30 -2.367 10.909 1.103 1.00 0.00 C ATOM 392 CG TYR A 30 -2.168 10.820 2.600 1.00 0.00 C ATOM 393 CD1 TYR A 30 -3.216 11.077 3.476 1.00 0.00 C ATOM 394 CD2 TYR A 30 -0.934 10.477 3.137 1.00 0.00 C ATOM 395 CE1 TYR A 30 -3.039 10.997 4.844 1.00 0.00 C ATOM 396 CE2 TYR A 30 -0.748 10.393 4.504 1.00 0.00 C ATOM 397 CZ TYR A 30 -1.803 10.655 5.353 1.00 0.00 C ATOM 398 OH TYR A 30 -1.623 10.573 6.714 1.00 0.00 O ATOM 0 H TYR A 30 -4.200 9.010 2.044 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.091 9.791 -0.584 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.410 11.130 0.630 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.032 11.744 0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.185 11.344 3.081 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.106 10.272 2.475 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.863 11.201 5.511 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.218 10.124 4.905 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.696 10.320 6.907 1.00 0.00 H new ATOM 408 N PHE A 31 -0.856 8.524 -0.042 1.00 0.00 N ATOM 409 CA PHE A 31 0.157 7.479 0.047 1.00 0.00 C ATOM 410 C PHE A 31 1.471 8.039 0.583 1.00 0.00 C ATOM 411 O PHE A 31 2.029 8.984 0.024 1.00 0.00 O ATOM 412 CB PHE A 31 0.383 6.840 -1.325 1.00 0.00 C ATOM 413 CG PHE A 31 -0.786 6.032 -1.810 1.00 0.00 C ATOM 414 CD1 PHE A 31 -1.844 6.643 -2.464 1.00 0.00 C ATOM 415 CD2 PHE A 31 -0.827 4.661 -1.613 1.00 0.00 C ATOM 416 CE1 PHE A 31 -2.921 5.901 -2.910 1.00 0.00 C ATOM 417 CE2 PHE A 31 -1.902 3.914 -2.058 1.00 0.00 C ATOM 418 CZ PHE A 31 -2.950 4.535 -2.708 1.00 0.00 C ATOM 0 H PHE A 31 -0.630 9.276 -0.693 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.202 6.718 0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.599 7.624 -2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.263 6.199 -1.278 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.827 7.711 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.010 4.170 -1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.740 6.389 -3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.922 2.846 -1.897 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.791 3.954 -3.058 1.00 0.00 H new ATOM 428 N ILE A 32 1.959 7.450 1.670 1.00 0.00 N ATOM 429 CA ILE A 32 3.207 7.890 2.281 1.00 0.00 C ATOM 430 C ILE A 32 4.391 7.090 1.748 1.00 0.00 C ATOM 431 O ILE A 32 4.443 5.868 1.889 1.00 0.00 O ATOM 432 CB ILE A 32 3.160 7.756 3.815 1.00 0.00 C ATOM 433 CG1 ILE A 32 2.429 8.951 4.431 1.00 0.00 C ATOM 434 CG2 ILE A 32 4.568 7.642 4.379 1.00 0.00 C ATOM 435 CD1 ILE A 32 3.333 10.129 4.720 1.00 0.00 C ATOM 0 H ILE A 32 1.509 6.667 2.145 1.00 0.00 H new ATOM 0 HA ILE A 32 3.334 8.941 2.020 1.00 0.00 H new ATOM 0 HB ILE A 32 2.612 6.849 4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.636 9.269 3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.950 8.635 5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.519 7.548 5.464 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.058 6.763 3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.138 8.534 4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.747 10.939 5.155 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.111 9.827 5.421 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.792 10.471 3.793 1.00 0.00 H new ATOM 447 N ASP A 33 5.342 7.789 1.137 1.00 0.00 N ATOM 448 CA ASP A 33 6.529 7.145 0.585 1.00 0.00 C ATOM 449 C ASP A 33 7.748 7.411 1.462 1.00 0.00 C ATOM 450 O ASP A 33 8.349 8.484 1.400 1.00 0.00 O ATOM 451 CB ASP A 33 6.789 7.642 -0.837 1.00 0.00 C ATOM 452 CG ASP A 33 8.089 7.108 -1.408 1.00 0.00 C ATOM 453 OD1 ASP A 33 9.103 7.111 -0.678 1.00 0.00 O ATOM 454 OD2 ASP A 33 8.092 6.688 -2.583 1.00 0.00 O ATOM 0 H ASP A 33 5.314 8.801 1.012 1.00 0.00 H new ATOM 0 HA ASP A 33 6.351 6.070 0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.962 7.342 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.815 8.732 -0.839 1.00 0.00 H new ATOM 459 N HIS A 34 8.109 6.426 2.279 1.00 0.00 N ATOM 460 CA HIS A 34 9.258 6.554 3.169 1.00 0.00 C ATOM 461 C HIS A 34 10.564 6.492 2.383 1.00 0.00 C ATOM 462 O HIS A 34 11.457 7.316 2.579 1.00 0.00 O ATOM 463 CB HIS A 34 9.234 5.452 4.229 1.00 0.00 C ATOM 464 CG HIS A 34 8.043 5.518 5.135 1.00 0.00 C ATOM 465 ND1 HIS A 34 8.123 5.906 6.455 1.00 0.00 N ATOM 466 CD2 HIS A 34 6.738 5.243 4.903 1.00 0.00 C ATOM 467 CE1 HIS A 34 6.919 5.866 6.997 1.00 0.00 C ATOM 468 NE2 HIS A 34 6.060 5.467 6.076 1.00 0.00 N ATOM 0 H HIS A 34 7.623 5.531 2.343 1.00 0.00 H new ATOM 0 HA HIS A 34 9.198 7.524 3.663 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.249 4.482 3.733 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.141 5.517 4.830 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.310 4.910 3.969 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.678 6.117 8.019 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.057 5.345 6.214 1.00 0.00 H new ATOM 476 N ASN A 35 10.668 5.510 1.494 1.00 0.00 N ATOM 477 CA ASN A 35 11.866 5.340 0.679 1.00 0.00 C ATOM 478 C ASN A 35 12.426 6.692 0.247 1.00 0.00 C ATOM 479 O ASN A 35 13.633 6.845 0.057 1.00 0.00 O ATOM 480 CB ASN A 35 11.553 4.488 -0.552 1.00 0.00 C ATOM 481 CG ASN A 35 10.270 4.913 -1.240 1.00 0.00 C ATOM 482 OD1 ASN A 35 10.297 5.642 -2.231 1.00 0.00 O ATOM 483 ND2 ASN A 35 9.139 4.458 -0.714 1.00 0.00 N ATOM 0 H ASN A 35 9.938 4.820 1.319 1.00 0.00 H new ATOM 0 HA ASN A 35 12.618 4.832 1.283 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.381 4.557 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.474 3.442 -0.256 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.244 4.711 -1.133 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.165 3.856 0.109 1.00 0.00 H new ATOM 490 N THR A 36 11.540 7.672 0.093 1.00 0.00 N ATOM 491 CA THR A 36 11.945 9.010 -0.317 1.00 0.00 C ATOM 492 C THR A 36 11.361 10.070 0.610 1.00 0.00 C ATOM 493 O THR A 36 11.643 11.260 0.467 1.00 0.00 O ATOM 494 CB THR A 36 11.507 9.312 -1.763 1.00 0.00 C ATOM 495 OG1 THR A 36 10.082 9.218 -1.872 1.00 0.00 O ATOM 496 CG2 THR A 36 12.160 8.345 -2.739 1.00 0.00 C ATOM 0 H THR A 36 10.537 7.563 0.246 1.00 0.00 H new ATOM 0 HA THR A 36 13.033 9.041 -0.261 1.00 0.00 H new ATOM 0 HB THR A 36 11.825 10.325 -2.012 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.734 8.664 -1.143 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.836 8.578 -3.753 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.244 8.439 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 36 11.869 7.325 -2.490 1.00 0.00 H new ATOM 504 N LYS A 37 10.545 9.631 1.563 1.00 0.00 N ATOM 505 CA LYS A 37 9.922 10.541 2.517 1.00 0.00 C ATOM 506 C LYS A 37 9.068 11.580 1.798 1.00 0.00 C ATOM 507 O LYS A 37 9.135 12.772 2.102 1.00 0.00 O ATOM 508 CB LYS A 37 10.991 11.238 3.361 1.00 0.00 C ATOM 509 CG LYS A 37 11.828 10.283 4.193 1.00 0.00 C ATOM 510 CD LYS A 37 11.048 9.751 5.384 1.00 0.00 C ATOM 511 CE LYS A 37 11.963 9.074 6.393 1.00 0.00 C ATOM 512 NZ LYS A 37 12.652 10.063 7.268 1.00 0.00 N ATOM 0 H LYS A 37 10.300 8.650 1.695 1.00 0.00 H new ATOM 0 HA LYS A 37 9.276 9.956 3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.649 11.805 2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.508 11.956 4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.158 9.450 3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.725 10.794 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.516 10.570 5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.296 9.041 5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.381 8.388 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.706 8.476 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.266 9.562 7.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.228 10.702 6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.944 10.617 7.791 1.00 0.00 H new ATOM 526 N THR A 38 8.263 11.122 0.844 1.00 0.00 N ATOM 527 CA THR A 38 7.396 12.012 0.083 1.00 0.00 C ATOM 528 C THR A 38 5.940 11.567 0.167 1.00 0.00 C ATOM 529 O THR A 38 5.651 10.399 0.432 1.00 0.00 O ATOM 530 CB THR A 38 7.816 12.075 -1.398 1.00 0.00 C ATOM 531 OG1 THR A 38 9.228 11.867 -1.516 1.00 0.00 O ATOM 532 CG2 THR A 38 7.444 13.418 -2.009 1.00 0.00 C ATOM 0 H THR A 38 8.194 10.139 0.580 1.00 0.00 H new ATOM 0 HA THR A 38 7.496 13.003 0.525 1.00 0.00 H new ATOM 0 HB THR A 38 7.287 11.289 -1.937 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.408 10.913 -1.650 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.750 13.439 -3.055 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.365 13.561 -1.944 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.950 14.217 -1.467 1.00 0.00 H new ATOM 540 N THR A 39 5.025 12.504 -0.059 1.00 0.00 N ATOM 541 CA THR A 39 3.599 12.208 -0.008 1.00 0.00 C ATOM 542 C THR A 39 2.938 12.452 -1.359 1.00 0.00 C ATOM 543 O THR A 39 3.181 13.471 -2.005 1.00 0.00 O ATOM 544 CB THR A 39 2.887 13.059 1.060 1.00 0.00 C ATOM 545 OG1 THR A 39 3.375 14.404 1.021 1.00 0.00 O ATOM 546 CG2 THR A 39 3.103 12.476 2.449 1.00 0.00 C ATOM 0 H THR A 39 5.246 13.475 -0.279 1.00 0.00 H new ATOM 0 HA THR A 39 3.504 11.154 0.255 1.00 0.00 H new ATOM 0 HB THR A 39 1.819 13.054 0.843 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.916 14.938 1.702 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.591 13.094 3.187 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.703 11.462 2.484 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.170 12.453 2.672 1.00 0.00 H new ATOM 554 N SER A 40 2.100 11.511 -1.782 1.00 0.00 N ATOM 555 CA SER A 40 1.406 11.622 -3.059 1.00 0.00 C ATOM 556 C SER A 40 -0.093 11.396 -2.885 1.00 0.00 C ATOM 557 O SER A 40 -0.530 10.785 -1.909 1.00 0.00 O ATOM 558 CB SER A 40 1.972 10.615 -4.062 1.00 0.00 C ATOM 559 OG SER A 40 1.610 10.957 -5.388 1.00 0.00 O ATOM 0 H SER A 40 1.885 10.663 -1.258 1.00 0.00 H new ATOM 0 HA SER A 40 1.562 12.631 -3.441 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.058 10.582 -3.975 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.603 9.617 -3.827 1.00 0.00 H new ATOM 0 HG SER A 40 1.985 10.299 -6.010 1.00 0.00 H new ATOM 565 N TRP A 41 -0.875 11.893 -3.836 1.00 0.00 N ATOM 566 CA TRP A 41 -2.325 11.745 -3.789 1.00 0.00 C ATOM 567 C TRP A 41 -2.765 10.462 -4.485 1.00 0.00 C ATOM 568 O TRP A 41 -3.779 9.864 -4.124 1.00 0.00 O ATOM 569 CB TRP A 41 -3.002 12.952 -4.440 1.00 0.00 C ATOM 570 CG TRP A 41 -2.924 14.197 -3.610 1.00 0.00 C ATOM 571 CD1 TRP A 41 -2.311 15.370 -3.947 1.00 0.00 C ATOM 572 CD2 TRP A 41 -3.477 14.392 -2.303 1.00 0.00 C ATOM 573 NE1 TRP A 41 -2.449 16.282 -2.928 1.00 0.00 N ATOM 574 CE2 TRP A 41 -3.161 15.707 -1.909 1.00 0.00 C ATOM 575 CE3 TRP A 41 -4.209 13.585 -1.429 1.00 0.00 C ATOM 576 CZ2 TRP A 41 -3.552 16.230 -0.679 1.00 0.00 C ATOM 577 CZ3 TRP A 41 -4.596 14.105 -0.208 1.00 0.00 C ATOM 578 CH2 TRP A 41 -4.268 15.417 0.157 1.00 0.00 C ATOM 0 H TRP A 41 -0.529 12.402 -4.649 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.626 11.689 -2.743 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.539 13.140 -5.409 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.049 12.714 -4.628 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.794 15.554 -4.877 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.081 17.233 -2.930 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.468 12.573 -1.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.299 17.241 -0.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.161 13.489 0.476 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.587 15.794 1.117 1.00 0.00 H new ATOM 589 N LEU A 42 -1.997 10.044 -5.485 1.00 0.00 N ATOM 590 CA LEU A 42 -2.308 8.830 -6.232 1.00 0.00 C ATOM 591 C LEU A 42 -1.503 7.646 -5.706 1.00 0.00 C ATOM 592 O LEU A 42 -0.611 7.809 -4.874 1.00 0.00 O ATOM 593 CB LEU A 42 -2.020 9.036 -7.721 1.00 0.00 C ATOM 594 CG LEU A 42 -2.960 9.989 -8.460 1.00 0.00 C ATOM 595 CD1 LEU A 42 -2.297 10.519 -9.722 1.00 0.00 C ATOM 596 CD2 LEU A 42 -4.269 9.291 -8.797 1.00 0.00 C ATOM 0 H LEU A 42 -1.155 10.527 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.368 8.613 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.001 9.409 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.057 8.065 -8.215 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.179 10.833 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.980 11.196 -10.235 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.386 11.056 -9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.049 9.686 -10.380 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.926 9.984 -9.323 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.068 8.428 -9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.752 8.960 -7.878 1.00 0.00 H new ATOM 608 N ASP A 43 -1.823 6.455 -6.199 1.00 0.00 N ATOM 609 CA ASP A 43 -1.129 5.242 -5.782 1.00 0.00 C ATOM 610 C ASP A 43 0.125 5.018 -6.621 1.00 0.00 C ATOM 611 O ASP A 43 0.158 5.301 -7.819 1.00 0.00 O ATOM 612 CB ASP A 43 -2.057 4.032 -5.895 1.00 0.00 C ATOM 613 CG ASP A 43 -1.304 2.750 -6.192 1.00 0.00 C ATOM 614 OD1 ASP A 43 -0.964 2.522 -7.372 1.00 0.00 O ATOM 615 OD2 ASP A 43 -1.053 1.977 -5.245 1.00 0.00 O ATOM 0 H ASP A 43 -2.559 6.303 -6.888 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.831 5.364 -4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.613 3.916 -4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.788 4.211 -6.683 1.00 0.00 H new ATOM 620 N PRO A 44 1.182 4.498 -5.980 1.00 0.00 N ATOM 621 CA PRO A 44 2.457 4.224 -6.649 1.00 0.00 C ATOM 622 C PRO A 44 2.359 3.063 -7.633 1.00 0.00 C ATOM 623 O PRO A 44 2.840 3.152 -8.762 1.00 0.00 O ATOM 624 CB PRO A 44 3.395 3.867 -5.492 1.00 0.00 C ATOM 625 CG PRO A 44 2.495 3.362 -4.418 1.00 0.00 C ATOM 626 CD PRO A 44 1.213 4.136 -4.553 1.00 0.00 C ATOM 0 HA PRO A 44 2.795 5.072 -7.244 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.120 3.110 -5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.961 4.737 -5.158 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.318 2.292 -4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.939 3.512 -3.434 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.349 3.534 -4.272 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.208 5.019 -3.914 1.00 0.00 H new ATOM 634 N ARG A 45 1.733 1.975 -7.196 1.00 0.00 N ATOM 635 CA ARG A 45 1.573 0.796 -8.039 1.00 0.00 C ATOM 636 C ARG A 45 1.151 1.191 -9.451 1.00 0.00 C ATOM 637 O ARG A 45 1.485 0.511 -10.422 1.00 0.00 O ATOM 638 CB ARG A 45 0.537 -0.153 -7.433 1.00 0.00 C ATOM 639 CG ARG A 45 1.025 -0.870 -6.185 1.00 0.00 C ATOM 640 CD ARG A 45 -0.100 -1.636 -5.506 1.00 0.00 C ATOM 641 NE ARG A 45 -1.112 -0.742 -4.951 1.00 0.00 N ATOM 642 CZ ARG A 45 -2.334 -1.137 -4.610 1.00 0.00 C ATOM 643 NH1 ARG A 45 -2.692 -2.404 -4.766 1.00 0.00 N ATOM 644 NH2 ARG A 45 -3.200 -0.264 -4.111 1.00 0.00 N ATOM 0 H ARG A 45 1.329 1.885 -6.264 1.00 0.00 H new ATOM 0 HA ARG A 45 2.535 0.286 -8.095 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.362 0.412 -7.189 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.254 -0.894 -8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.827 -1.559 -6.450 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.445 -0.145 -5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.566 -2.309 -6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.312 -2.256 -4.710 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.868 0.239 -4.818 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.029 -3.078 -5.149 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.631 -2.705 -4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.928 0.711 -3.989 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.138 -0.568 -3.850 1.00 0.00 H new ATOM 658 N CYS A 46 0.417 2.293 -9.558 1.00 0.00 N ATOM 659 CA CYS A 46 -0.051 2.778 -10.852 1.00 0.00 C ATOM 660 C CYS A 46 1.117 2.982 -11.811 1.00 0.00 C ATOM 661 O CYS A 46 1.026 2.656 -12.995 1.00 0.00 O ATOM 662 CB CYS A 46 -0.821 4.088 -10.680 1.00 0.00 C ATOM 663 SG CYS A 46 -2.596 3.872 -10.413 1.00 0.00 S ATOM 0 H CYS A 46 0.133 2.868 -8.765 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.717 2.026 -11.275 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.402 4.635 -9.836 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.670 4.705 -11.566 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.159 5.036 -10.277 1.00 0.00 H new ATOM 669 N LEU A 47 2.213 3.524 -11.293 1.00 0.00 N ATOM 670 CA LEU A 47 3.400 3.773 -12.104 1.00 0.00 C ATOM 671 C LEU A 47 3.709 2.578 -13.000 1.00 0.00 C ATOM 672 O LEU A 47 3.409 1.437 -12.654 1.00 0.00 O ATOM 673 CB LEU A 47 4.601 4.075 -11.206 1.00 0.00 C ATOM 674 CG LEU A 47 4.563 5.409 -10.460 1.00 0.00 C ATOM 675 CD1 LEU A 47 5.313 5.305 -9.141 1.00 0.00 C ATOM 676 CD2 LEU A 47 5.147 6.519 -11.322 1.00 0.00 C ATOM 0 H LEU A 47 2.305 3.800 -10.315 1.00 0.00 H new ATOM 0 HA LEU A 47 3.201 4.637 -12.738 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.691 3.274 -10.472 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.502 4.050 -11.818 1.00 0.00 H new ATOM 0 HG LEU A 47 3.523 5.653 -10.244 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.275 6.264 -8.624 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.850 4.539 -8.519 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.352 5.037 -9.333 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.112 7.461 -10.775 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.182 6.281 -11.569 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.566 6.610 -12.240 1.00 0.00 H new ATOM 688 N ASN A 48 4.311 2.850 -14.153 1.00 0.00 N ATOM 689 CA ASN A 48 4.662 1.797 -15.099 1.00 0.00 C ATOM 690 C ASN A 48 5.995 1.155 -14.728 1.00 0.00 C ATOM 691 O ASN A 48 6.846 0.924 -15.587 1.00 0.00 O ATOM 692 CB ASN A 48 4.732 2.361 -16.519 1.00 0.00 C ATOM 693 CG ASN A 48 5.900 3.310 -16.707 1.00 0.00 C ATOM 694 OD1 ASN A 48 6.763 3.429 -15.838 1.00 0.00 O ATOM 695 ND2 ASN A 48 5.930 3.992 -17.846 1.00 0.00 N ATOM 0 H ASN A 48 4.566 3.790 -14.455 1.00 0.00 H new ATOM 0 HA ASN A 48 3.887 1.032 -15.057 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.817 1.539 -17.230 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.803 2.883 -16.746 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.691 4.647 -18.029 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.192 3.861 -18.538 1.00 0.00 H new ATOM 702 N LYS A 49 6.170 0.868 -13.442 1.00 0.00 N ATOM 703 CA LYS A 49 7.398 0.250 -12.956 1.00 0.00 C ATOM 704 C LYS A 49 7.099 -1.054 -12.224 1.00 0.00 C ATOM 705 O LYS A 49 5.940 -1.378 -11.965 1.00 0.00 O ATOM 706 CB LYS A 49 8.142 1.210 -12.025 1.00 0.00 C ATOM 707 CG LYS A 49 7.495 1.355 -10.658 1.00 0.00 C ATOM 708 CD LYS A 49 8.476 1.897 -9.631 1.00 0.00 C ATOM 709 CE LYS A 49 7.820 2.067 -8.270 1.00 0.00 C ATOM 710 NZ LYS A 49 8.802 2.481 -7.229 1.00 0.00 N ATOM 0 H LYS A 49 5.476 1.054 -12.718 1.00 0.00 H new ATOM 0 HA LYS A 49 8.028 0.026 -13.817 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.166 0.859 -11.898 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.198 2.191 -12.497 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.636 2.023 -10.730 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.119 0.387 -10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.325 1.219 -9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.867 2.856 -9.970 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.028 2.813 -8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.350 1.129 -7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.316 2.586 -6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.544 1.758 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.232 3.389 -7.499 1.00 0.00 H new ATOM 724 N GLN A 50 8.150 -1.797 -11.894 1.00 0.00 N ATOM 725 CA GLN A 50 7.998 -3.066 -11.192 1.00 0.00 C ATOM 726 C GLN A 50 8.532 -2.966 -9.767 1.00 0.00 C ATOM 727 O GLN A 50 7.884 -3.410 -8.819 1.00 0.00 O ATOM 728 CB GLN A 50 8.726 -4.181 -11.945 1.00 0.00 C ATOM 729 CG GLN A 50 8.050 -4.577 -13.248 1.00 0.00 C ATOM 730 CD GLN A 50 8.547 -5.905 -13.782 1.00 0.00 C ATOM 731 OE1 GLN A 50 7.774 -6.849 -13.948 1.00 0.00 O ATOM 732 NE2 GLN A 50 9.844 -5.986 -14.055 1.00 0.00 N ATOM 0 H GLN A 50 9.116 -1.542 -12.101 1.00 0.00 H new ATOM 0 HA GLN A 50 6.935 -3.303 -11.147 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.745 -3.859 -12.157 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.796 -5.057 -11.301 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.973 -4.633 -13.092 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.224 -3.801 -13.994 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.449 -5.179 -13.902 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.236 -6.855 -14.417 1.00 0.00 H new ATOM 741 N GLN A 51 9.717 -2.382 -9.623 1.00 0.00 N ATOM 742 CA GLN A 51 10.337 -2.225 -8.313 1.00 0.00 C ATOM 743 C GLN A 51 11.533 -1.281 -8.386 1.00 0.00 C ATOM 744 O GLN A 51 12.389 -1.415 -9.260 1.00 0.00 O ATOM 745 CB GLN A 51 10.779 -3.585 -7.769 1.00 0.00 C ATOM 746 CG GLN A 51 11.827 -4.273 -8.628 1.00 0.00 C ATOM 747 CD GLN A 51 12.114 -5.691 -8.176 1.00 0.00 C ATOM 748 OE1 GLN A 51 11.338 -6.284 -7.425 1.00 0.00 O ATOM 749 NE2 GLN A 51 13.232 -6.244 -8.632 1.00 0.00 N ATOM 0 H GLN A 51 10.267 -2.010 -10.397 1.00 0.00 H new ATOM 0 HA GLN A 51 9.598 -1.794 -7.638 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.176 -3.453 -6.763 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.907 -4.234 -7.685 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.489 -4.288 -9.664 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.750 -3.694 -8.602 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.846 -5.716 -9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.477 -7.197 -8.362 1.00 0.00 H new ATOM 758 N SER A 52 11.584 -0.327 -7.462 1.00 0.00 N ATOM 759 CA SER A 52 12.672 0.643 -7.425 1.00 0.00 C ATOM 760 C SER A 52 14.001 -0.018 -7.779 1.00 0.00 C ATOM 761 O SER A 52 14.693 0.410 -8.702 1.00 0.00 O ATOM 762 CB SER A 52 12.764 1.285 -6.039 1.00 0.00 C ATOM 763 OG SER A 52 11.519 1.841 -5.652 1.00 0.00 O ATOM 0 H SER A 52 10.885 -0.205 -6.729 1.00 0.00 H new ATOM 0 HA SER A 52 12.461 1.416 -8.164 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.075 0.538 -5.309 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.527 2.063 -6.045 1.00 0.00 H new ATOM 0 HG SER A 52 11.603 2.244 -4.762 1.00 0.00 H new ATOM 769 N GLY A 53 14.351 -1.065 -7.038 1.00 0.00 N ATOM 770 CA GLY A 53 15.595 -1.769 -7.289 1.00 0.00 C ATOM 771 C GLY A 53 16.780 -1.112 -6.610 1.00 0.00 C ATOM 772 O GLY A 53 16.632 -0.366 -5.641 1.00 0.00 O ATOM 0 H GLY A 53 13.795 -1.438 -6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 53 15.504 -2.797 -6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 53 15.774 -1.812 -8.363 1.00 0.00 H new ATOM 776 N PRO A 54 17.989 -1.389 -7.121 1.00 0.00 N ATOM 777 CA PRO A 54 19.228 -0.831 -6.571 1.00 0.00 C ATOM 778 C PRO A 54 19.353 0.667 -6.831 1.00 0.00 C ATOM 779 O PRO A 54 20.358 1.285 -6.480 1.00 0.00 O ATOM 780 CB PRO A 54 20.323 -1.597 -7.317 1.00 0.00 C ATOM 781 CG PRO A 54 19.687 -2.020 -8.595 1.00 0.00 C ATOM 782 CD PRO A 54 18.239 -2.270 -8.274 1.00 0.00 C ATOM 0 HA PRO A 54 19.278 -0.937 -5.487 1.00 0.00 H new ATOM 0 HB2 PRO A 54 21.194 -0.967 -7.498 1.00 0.00 H new ATOM 0 HB3 PRO A 54 20.666 -2.457 -6.742 1.00 0.00 H new ATOM 0 HG2 PRO A 54 19.790 -1.247 -9.357 1.00 0.00 H new ATOM 0 HG3 PRO A 54 20.161 -2.920 -8.988 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.592 -2.023 -9.116 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.057 -3.316 -8.028 1.00 0.00 H new ATOM 790 N SER A 55 18.327 1.244 -7.448 1.00 0.00 N ATOM 791 CA SER A 55 18.324 2.669 -7.757 1.00 0.00 C ATOM 792 C SER A 55 19.044 3.462 -6.671 1.00 0.00 C ATOM 793 O SER A 55 18.798 3.270 -5.480 1.00 0.00 O ATOM 794 CB SER A 55 16.889 3.177 -7.909 1.00 0.00 C ATOM 795 OG SER A 55 16.293 3.407 -6.645 1.00 0.00 O ATOM 0 H SER A 55 17.487 0.747 -7.744 1.00 0.00 H new ATOM 0 HA SER A 55 18.854 2.812 -8.699 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.886 4.100 -8.489 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.299 2.449 -8.466 1.00 0.00 H new ATOM 0 HG SER A 55 15.377 3.733 -6.770 1.00 0.00 H new ATOM 801 N SER A 56 19.935 4.355 -7.091 1.00 0.00 N ATOM 802 CA SER A 56 20.694 5.176 -6.155 1.00 0.00 C ATOM 803 C SER A 56 20.404 6.658 -6.372 1.00 0.00 C ATOM 804 O SER A 56 20.332 7.128 -7.507 1.00 0.00 O ATOM 805 CB SER A 56 22.193 4.910 -6.310 1.00 0.00 C ATOM 806 OG SER A 56 22.618 5.145 -7.641 1.00 0.00 O ATOM 0 H SER A 56 20.149 4.528 -8.073 1.00 0.00 H new ATOM 0 HA SER A 56 20.387 4.908 -5.144 1.00 0.00 H new ATOM 0 HB2 SER A 56 22.752 5.551 -5.628 1.00 0.00 H new ATOM 0 HB3 SER A 56 22.413 3.880 -6.031 1.00 0.00 H new ATOM 0 HG SER A 56 23.579 4.970 -7.713 1.00 0.00 H new ATOM 812 N GLY A 57 20.238 7.389 -5.275 1.00 0.00 N ATOM 813 CA GLY A 57 19.957 8.810 -5.366 1.00 0.00 C ATOM 814 C GLY A 57 20.996 9.653 -4.653 1.00 0.00 C ATOM 815 O GLY A 57 21.007 10.877 -4.783 1.00 0.00 O ATOM 0 H GLY A 57 20.293 7.023 -4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 57 19.914 9.102 -6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 57 18.975 9.011 -4.939 1.00 0.00 H new TER 819 GLY A 57