USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=17 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 48 ASN : amide:sc= -0.0211 K(o=-1.4,f=-2.6) USER MOD Set 1.2: A 50 GLN : amide:sc= -1.42 K(o=-1.4,f=-8.7!) USER MOD Set 2.1: A 36 THR OG1 : rot -22:sc= 1.68 USER MOD Set 2.2: A 38 THR OG1 : rot 95:sc= 0.801 USER MOD Set 3.1: A 18 ASN : amide:sc= -2.83! C(o=-15!,f=-16!) USER MOD Set 3.2: A 35 ASN : amide:sc= -12.3! C(o=-15!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.00522 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot -52:sc= 0.478 USER MOD Single : A 11 ASN : amide:sc= -0.0576 K(o=-0.058,f=-2!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 170:sc= -0.221 USER MOD Single : A 26 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.7!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -1.87! X(o=-1.9!,f=-2) USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= -0.0393 (180deg=-0.246) 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 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 52 SER OG : rot 39:sc= 0.488 USER MOD Single : A 55 SER OG : rot 50:sc= 0.728 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.383 -5.062 5.423 1.00 0.00 N ATOM 2 CA GLY A 1 -23.481 -6.172 5.176 1.00 0.00 C ATOM 3 C GLY A 1 -22.348 -5.800 4.239 1.00 0.00 C ATOM 4 O GLY A 1 -21.817 -4.692 4.306 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.729 -5.107 6.403 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.878 -4.165 5.275 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.189 -5.118 4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.067 -6.517 6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.042 -7.004 4.751 1.00 0.00 H new ATOM 8 N SER A 2 -21.975 -6.730 3.366 1.00 0.00 N ATOM 9 CA SER A 2 -20.894 -6.497 2.416 1.00 0.00 C ATOM 10 C SER A 2 -21.443 -6.018 1.075 1.00 0.00 C ATOM 11 O SER A 2 -22.380 -6.603 0.531 1.00 0.00 O ATOM 12 CB SER A 2 -20.076 -7.775 2.218 1.00 0.00 C ATOM 13 OG SER A 2 -19.174 -7.974 3.292 1.00 0.00 O ATOM 0 H SER A 2 -22.406 -7.652 3.297 1.00 0.00 H new ATOM 0 HA SER A 2 -20.247 -5.720 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.746 -8.631 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.523 -7.715 1.281 1.00 0.00 H new ATOM 0 HG SER A 2 -18.664 -8.798 3.143 1.00 0.00 H new ATOM 19 N SER A 3 -20.853 -4.950 0.548 1.00 0.00 N ATOM 20 CA SER A 3 -21.284 -4.389 -0.727 1.00 0.00 C ATOM 21 C SER A 3 -20.173 -4.490 -1.768 1.00 0.00 C ATOM 22 O SER A 3 -18.990 -4.414 -1.440 1.00 0.00 O ATOM 23 CB SER A 3 -21.701 -2.928 -0.550 1.00 0.00 C ATOM 24 OG SER A 3 -23.007 -2.833 -0.007 1.00 0.00 O ATOM 0 H SER A 3 -20.075 -4.456 0.984 1.00 0.00 H new ATOM 0 HA SER A 3 -22.141 -4.964 -1.078 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.993 -2.421 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.666 -2.417 -1.512 1.00 0.00 H new ATOM 0 HG SER A 3 -23.250 -1.889 0.098 1.00 0.00 H new ATOM 30 N GLY A 4 -20.565 -4.663 -3.027 1.00 0.00 N ATOM 31 CA GLY A 4 -19.592 -4.772 -4.098 1.00 0.00 C ATOM 32 C GLY A 4 -19.838 -3.770 -5.209 1.00 0.00 C ATOM 33 O GLY A 4 -20.870 -3.100 -5.233 1.00 0.00 O ATOM 0 H GLY A 4 -21.539 -4.730 -3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.591 -4.622 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.621 -5.781 -4.510 1.00 0.00 H new ATOM 37 N SER A 5 -18.886 -3.665 -6.131 1.00 0.00 N ATOM 38 CA SER A 5 -19.001 -2.733 -7.246 1.00 0.00 C ATOM 39 C SER A 5 -18.630 -3.412 -8.561 1.00 0.00 C ATOM 40 O SER A 5 -19.312 -3.246 -9.572 1.00 0.00 O ATOM 41 CB SER A 5 -18.104 -1.516 -7.016 1.00 0.00 C ATOM 42 OG SER A 5 -16.766 -1.909 -6.764 1.00 0.00 O ATOM 0 H SER A 5 -18.026 -4.214 -6.127 1.00 0.00 H new ATOM 0 HA SER A 5 -20.038 -2.404 -7.307 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.137 -0.866 -7.890 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.481 -0.936 -6.173 1.00 0.00 H new ATOM 0 HG SER A 5 -16.212 -1.113 -6.622 1.00 0.00 H new ATOM 48 N SER A 6 -17.543 -4.177 -8.539 1.00 0.00 N ATOM 49 CA SER A 6 -17.077 -4.878 -9.729 1.00 0.00 C ATOM 50 C SER A 6 -16.741 -3.892 -10.844 1.00 0.00 C ATOM 51 O SER A 6 -17.060 -4.123 -12.010 1.00 0.00 O ATOM 52 CB SER A 6 -18.139 -5.868 -10.212 1.00 0.00 C ATOM 53 OG SER A 6 -17.644 -6.672 -11.269 1.00 0.00 O ATOM 0 H SER A 6 -16.969 -4.327 -7.710 1.00 0.00 H new ATOM 0 HA SER A 6 -16.172 -5.426 -9.467 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.452 -6.503 -9.383 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.022 -5.324 -10.548 1.00 0.00 H new ATOM 0 HG SER A 6 -17.270 -6.098 -11.969 1.00 0.00 H new ATOM 59 N GLY A 7 -16.094 -2.790 -10.476 1.00 0.00 N ATOM 60 CA GLY A 7 -15.725 -1.785 -11.455 1.00 0.00 C ATOM 61 C GLY A 7 -14.375 -2.058 -12.086 1.00 0.00 C ATOM 62 O GLY A 7 -14.035 -3.207 -12.368 1.00 0.00 O ATOM 0 H GLY A 7 -15.819 -2.576 -9.517 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.486 -1.745 -12.235 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.708 -0.806 -10.977 1.00 0.00 H new ATOM 66 N ALA A 8 -13.603 -1.000 -12.310 1.00 0.00 N ATOM 67 CA ALA A 8 -12.282 -1.131 -12.912 1.00 0.00 C ATOM 68 C ALA A 8 -11.489 -2.258 -12.257 1.00 0.00 C ATOM 69 O ALA A 8 -11.508 -2.412 -11.036 1.00 0.00 O ATOM 70 CB ALA A 8 -11.521 0.182 -12.807 1.00 0.00 C ATOM 0 H ALA A 8 -13.870 -0.042 -12.083 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.413 -1.379 -13.965 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.536 0.069 -13.261 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.073 0.965 -13.327 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.408 0.454 -11.758 1.00 0.00 H new ATOM 76 N GLU A 9 -10.795 -3.041 -13.076 1.00 0.00 N ATOM 77 CA GLU A 9 -9.998 -4.154 -12.574 1.00 0.00 C ATOM 78 C GLU A 9 -8.508 -3.892 -12.778 1.00 0.00 C ATOM 79 O GLU A 9 -8.080 -3.495 -13.862 1.00 0.00 O ATOM 80 CB GLU A 9 -10.399 -5.454 -13.274 1.00 0.00 C ATOM 81 CG GLU A 9 -11.840 -5.863 -13.021 1.00 0.00 C ATOM 82 CD GLU A 9 -12.430 -6.662 -14.167 1.00 0.00 C ATOM 83 OE1 GLU A 9 -11.661 -7.353 -14.867 1.00 0.00 O ATOM 84 OE2 GLU A 9 -13.662 -6.595 -14.363 1.00 0.00 O ATOM 0 H GLU A 9 -10.768 -2.926 -14.089 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.189 -4.251 -11.505 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.246 -5.341 -14.347 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.739 -6.255 -12.940 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.891 -6.454 -12.107 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.444 -4.970 -12.857 1.00 0.00 H new ATOM 91 N ASP A 10 -7.725 -4.116 -11.728 1.00 0.00 N ATOM 92 CA ASP A 10 -6.284 -3.905 -11.791 1.00 0.00 C ATOM 93 C ASP A 10 -5.565 -4.749 -10.743 1.00 0.00 C ATOM 94 O ASP A 10 -5.628 -4.459 -9.549 1.00 0.00 O ATOM 95 CB ASP A 10 -5.954 -2.426 -11.586 1.00 0.00 C ATOM 96 CG ASP A 10 -6.003 -1.637 -12.880 1.00 0.00 C ATOM 97 OD1 ASP A 10 -5.323 -2.040 -13.846 1.00 0.00 O ATOM 98 OD2 ASP A 10 -6.721 -0.616 -12.926 1.00 0.00 O ATOM 0 H ASP A 10 -8.064 -4.444 -10.824 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.940 -4.213 -12.778 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.658 -1.995 -10.874 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.961 -2.336 -11.146 1.00 0.00 H new ATOM 103 N ASN A 11 -4.884 -5.795 -11.199 1.00 0.00 N ATOM 104 CA ASN A 11 -4.154 -6.683 -10.300 1.00 0.00 C ATOM 105 C ASN A 11 -2.661 -6.370 -10.320 1.00 0.00 C ATOM 106 O ASN A 11 -1.902 -6.960 -11.090 1.00 0.00 O ATOM 107 CB ASN A 11 -4.386 -8.143 -10.693 1.00 0.00 C ATOM 108 CG ASN A 11 -5.691 -8.689 -10.147 1.00 0.00 C ATOM 109 OD1 ASN A 11 -6.363 -8.037 -9.348 1.00 0.00 O ATOM 110 ND2 ASN A 11 -6.056 -9.891 -10.577 1.00 0.00 N ATOM 0 H ASN A 11 -4.822 -6.049 -12.185 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.527 -6.522 -9.288 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.386 -8.228 -11.780 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.559 -8.751 -10.326 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.925 -10.310 -10.244 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.468 -10.396 -11.240 1.00 0.00 H new ATOM 117 N LEU A 12 -2.246 -5.439 -9.469 1.00 0.00 N ATOM 118 CA LEU A 12 -0.843 -5.047 -9.387 1.00 0.00 C ATOM 119 C LEU A 12 -0.148 -5.751 -8.227 1.00 0.00 C ATOM 120 O LEU A 12 0.906 -6.362 -8.399 1.00 0.00 O ATOM 121 CB LEU A 12 -0.725 -3.531 -9.223 1.00 0.00 C ATOM 122 CG LEU A 12 -1.495 -2.684 -10.237 1.00 0.00 C ATOM 123 CD1 LEU A 12 -1.616 -1.248 -9.752 1.00 0.00 C ATOM 124 CD2 LEU A 12 -0.815 -2.733 -11.598 1.00 0.00 C ATOM 0 H LEU A 12 -2.861 -4.941 -8.825 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.354 -5.345 -10.314 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.069 -3.266 -8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.329 -3.261 -9.280 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.499 -3.097 -10.338 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.167 -0.661 -10.487 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.147 -1.229 -8.800 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.621 -0.823 -9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.376 -2.125 -12.307 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.200 -2.346 -11.512 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.781 -3.764 -11.951 1.00 0.00 H new ATOM 136 N GLY A 13 -0.747 -5.662 -7.043 1.00 0.00 N ATOM 137 CA GLY A 13 -0.172 -6.297 -5.871 1.00 0.00 C ATOM 138 C GLY A 13 -0.268 -5.427 -4.634 1.00 0.00 C ATOM 139 O GLY A 13 -0.572 -4.236 -4.709 1.00 0.00 O ATOM 0 H GLY A 13 -1.620 -5.162 -6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.682 -7.242 -5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.874 -6.532 -6.066 1.00 0.00 H new ATOM 143 N PRO A 14 -0.008 -6.026 -3.462 1.00 0.00 N ATOM 144 CA PRO A 14 -0.062 -5.317 -2.181 1.00 0.00 C ATOM 145 C PRO A 14 1.071 -4.308 -2.028 1.00 0.00 C ATOM 146 O PRO A 14 2.221 -4.596 -2.363 1.00 0.00 O ATOM 147 CB PRO A 14 0.077 -6.438 -1.148 1.00 0.00 C ATOM 148 CG PRO A 14 0.803 -7.524 -1.864 1.00 0.00 C ATOM 149 CD PRO A 14 0.359 -7.443 -3.299 1.00 0.00 C ATOM 0 HA PRO A 14 -0.977 -4.734 -2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.631 -6.102 -0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.898 -6.777 -0.798 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.882 -7.393 -1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.567 -8.499 -1.437 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.156 -7.733 -3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.486 -8.102 -3.496 1.00 0.00 H new ATOM 157 N LEU A 15 0.740 -3.125 -1.522 1.00 0.00 N ATOM 158 CA LEU A 15 1.731 -2.073 -1.324 1.00 0.00 C ATOM 159 C LEU A 15 3.006 -2.636 -0.704 1.00 0.00 C ATOM 160 O LEU A 15 2.990 -3.645 0.001 1.00 0.00 O ATOM 161 CB LEU A 15 1.161 -0.969 -0.433 1.00 0.00 C ATOM 162 CG LEU A 15 0.230 0.032 -1.117 1.00 0.00 C ATOM 163 CD1 LEU A 15 -0.798 0.565 -0.132 1.00 0.00 C ATOM 164 CD2 LEU A 15 1.030 1.175 -1.726 1.00 0.00 C ATOM 0 H LEU A 15 -0.207 -2.870 -1.241 1.00 0.00 H new ATOM 0 HA LEU A 15 1.978 -1.653 -2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.618 -1.437 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.993 -0.419 0.007 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.299 -0.483 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.452 1.276 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.393 -0.262 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.288 1.064 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.351 1.878 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.586 1.688 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.727 0.778 -2.465 1.00 0.00 H new ATOM 176 N PRO A 16 4.138 -1.967 -0.969 1.00 0.00 N ATOM 177 CA PRO A 16 5.443 -2.380 -0.443 1.00 0.00 C ATOM 178 C PRO A 16 5.555 -2.169 1.063 1.00 0.00 C ATOM 179 O PRO A 16 4.556 -1.934 1.741 1.00 0.00 O ATOM 180 CB PRO A 16 6.428 -1.473 -1.185 1.00 0.00 C ATOM 181 CG PRO A 16 5.631 -0.267 -1.549 1.00 0.00 C ATOM 182 CD PRO A 16 4.232 -0.756 -1.801 1.00 0.00 C ATOM 0 HA PRO A 16 5.625 -3.444 -0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.277 -1.211 -0.554 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.829 -1.965 -2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.648 0.469 -0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.040 0.218 -2.435 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.489 -0.012 -1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.068 -0.979 -2.855 1.00 0.00 H new ATOM 190 N GLU A 17 6.777 -2.254 1.578 1.00 0.00 N ATOM 191 CA GLU A 17 7.018 -2.073 3.005 1.00 0.00 C ATOM 192 C GLU A 17 7.512 -0.659 3.298 1.00 0.00 C ATOM 193 O GLU A 17 7.511 -0.215 4.445 1.00 0.00 O ATOM 194 CB GLU A 17 8.040 -3.096 3.507 1.00 0.00 C ATOM 195 CG GLU A 17 9.394 -2.988 2.826 1.00 0.00 C ATOM 196 CD GLU A 17 9.461 -3.775 1.532 1.00 0.00 C ATOM 197 OE1 GLU A 17 8.997 -4.934 1.517 1.00 0.00 O ATOM 198 OE2 GLU A 17 9.978 -3.231 0.534 1.00 0.00 O ATOM 0 H GLU A 17 7.615 -2.447 1.029 1.00 0.00 H new ATOM 0 HA GLU A 17 6.074 -2.226 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.172 -2.968 4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.644 -4.099 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.611 -1.940 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.168 -3.346 3.505 1.00 0.00 H new ATOM 205 N ASN A 18 7.934 0.043 2.251 1.00 0.00 N ATOM 206 CA ASN A 18 8.432 1.406 2.395 1.00 0.00 C ATOM 207 C ASN A 18 7.338 2.421 2.078 1.00 0.00 C ATOM 208 O ASN A 18 7.622 3.574 1.755 1.00 0.00 O ATOM 209 CB ASN A 18 9.634 1.632 1.475 1.00 0.00 C ATOM 210 CG ASN A 18 9.501 0.892 0.158 1.00 0.00 C ATOM 211 OD1 ASN A 18 9.293 -0.321 0.133 1.00 0.00 O ATOM 212 ND2 ASN A 18 9.622 1.622 -0.945 1.00 0.00 N ATOM 0 H ASN A 18 7.941 -0.310 1.294 1.00 0.00 H new ATOM 0 HA ASN A 18 8.744 1.545 3.430 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.743 2.699 1.280 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.542 1.306 1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.543 1.180 -1.861 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.794 2.625 -0.876 1.00 0.00 H new ATOM 219 N TRP A 19 6.087 1.984 2.175 1.00 0.00 N ATOM 220 CA TRP A 19 4.950 2.855 1.900 1.00 0.00 C ATOM 221 C TRP A 19 3.860 2.675 2.951 1.00 0.00 C ATOM 222 O TRP A 19 3.827 1.668 3.657 1.00 0.00 O ATOM 223 CB TRP A 19 4.386 2.566 0.508 1.00 0.00 C ATOM 224 CG TRP A 19 5.254 3.077 -0.602 1.00 0.00 C ATOM 225 CD1 TRP A 19 6.504 2.638 -0.933 1.00 0.00 C ATOM 226 CD2 TRP A 19 4.937 4.125 -1.525 1.00 0.00 C ATOM 227 NE1 TRP A 19 6.983 3.350 -2.007 1.00 0.00 N ATOM 228 CE2 TRP A 19 6.040 4.267 -2.389 1.00 0.00 C ATOM 229 CE3 TRP A 19 3.827 4.955 -1.708 1.00 0.00 C ATOM 230 CZ2 TRP A 19 6.064 5.206 -3.417 1.00 0.00 C ATOM 231 CZ3 TRP A 19 3.853 5.886 -2.728 1.00 0.00 C ATOM 232 CH2 TRP A 19 4.965 6.006 -3.572 1.00 0.00 C ATOM 0 H TRP A 19 5.835 1.032 2.442 1.00 0.00 H new ATOM 0 HA TRP A 19 5.297 3.888 1.937 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.257 1.490 0.392 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.397 3.017 0.424 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.038 1.848 -0.426 1.00 0.00 H new ATOM 0 HE1 TRP A 19 7.893 3.217 -2.448 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.965 4.870 -1.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 6.920 5.299 -4.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 3.001 6.533 -2.878 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.954 6.744 -4.360 1.00 0.00 H new ATOM 243 N GLU A 20 2.970 3.658 3.049 1.00 0.00 N ATOM 244 CA GLU A 20 1.880 3.607 4.015 1.00 0.00 C ATOM 245 C GLU A 20 0.703 4.461 3.553 1.00 0.00 C ATOM 246 O GLU A 20 0.798 5.686 3.490 1.00 0.00 O ATOM 247 CB GLU A 20 2.361 4.083 5.387 1.00 0.00 C ATOM 248 CG GLU A 20 1.616 3.446 6.548 1.00 0.00 C ATOM 249 CD GLU A 20 2.408 3.485 7.841 1.00 0.00 C ATOM 250 OE1 GLU A 20 3.171 2.531 8.100 1.00 0.00 O ATOM 251 OE2 GLU A 20 2.264 4.471 8.594 1.00 0.00 O ATOM 0 H GLU A 20 2.983 4.499 2.471 1.00 0.00 H new ATOM 0 HA GLU A 20 1.548 2.572 4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.424 3.865 5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.251 5.166 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.666 3.961 6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.382 2.411 6.301 1.00 0.00 H new ATOM 258 N MET A 21 -0.407 3.804 3.230 1.00 0.00 N ATOM 259 CA MET A 21 -1.603 4.503 2.774 1.00 0.00 C ATOM 260 C MET A 21 -2.489 4.891 3.954 1.00 0.00 C ATOM 261 O MET A 21 -2.965 4.031 4.693 1.00 0.00 O ATOM 262 CB MET A 21 -2.389 3.628 1.796 1.00 0.00 C ATOM 263 CG MET A 21 -3.616 4.314 1.218 1.00 0.00 C ATOM 264 SD MET A 21 -4.267 3.466 -0.233 1.00 0.00 S ATOM 265 CE MET A 21 -5.239 2.173 0.537 1.00 0.00 C ATOM 0 H MET A 21 -0.503 2.790 3.276 1.00 0.00 H new ATOM 0 HA MET A 21 -1.289 5.414 2.264 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.732 3.329 0.980 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.699 2.716 2.306 1.00 0.00 H new ATOM 0 HG2 MET A 21 -4.392 4.366 1.982 1.00 0.00 H new ATOM 0 HG3 MET A 21 -3.362 5.340 0.951 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.707 1.561 -0.234 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.591 1.549 1.152 1.00 0.00 H new ATOM 0 HE3 MET A 21 -6.011 2.622 1.162 1.00 0.00 H new ATOM 275 N ALA A 22 -2.705 6.191 4.123 1.00 0.00 N ATOM 276 CA ALA A 22 -3.535 6.692 5.212 1.00 0.00 C ATOM 277 C ALA A 22 -4.367 7.889 4.762 1.00 0.00 C ATOM 278 O ALA A 22 -4.033 8.556 3.783 1.00 0.00 O ATOM 279 CB ALA A 22 -2.669 7.068 6.406 1.00 0.00 C ATOM 0 H ALA A 22 -2.317 6.916 3.520 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.220 5.898 5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.302 7.440 7.212 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.123 6.190 6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.961 7.843 6.112 1.00 0.00 H new ATOM 285 N TYR A 23 -5.450 8.154 5.483 1.00 0.00 N ATOM 286 CA TYR A 23 -6.332 9.268 5.156 1.00 0.00 C ATOM 287 C TYR A 23 -6.082 10.452 6.086 1.00 0.00 C ATOM 288 O TYR A 23 -5.801 10.277 7.272 1.00 0.00 O ATOM 289 CB TYR A 23 -7.795 8.832 5.249 1.00 0.00 C ATOM 290 CG TYR A 23 -8.119 7.616 4.411 1.00 0.00 C ATOM 291 CD1 TYR A 23 -7.556 6.379 4.700 1.00 0.00 C ATOM 292 CD2 TYR A 23 -8.987 7.704 3.329 1.00 0.00 C ATOM 293 CE1 TYR A 23 -7.848 5.265 3.937 1.00 0.00 C ATOM 294 CE2 TYR A 23 -9.286 6.596 2.562 1.00 0.00 C ATOM 295 CZ TYR A 23 -8.714 5.379 2.869 1.00 0.00 C ATOM 296 OH TYR A 23 -9.009 4.272 2.106 1.00 0.00 O ATOM 0 H TYR A 23 -5.739 7.613 6.298 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.117 9.580 4.134 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.037 8.620 6.291 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.432 9.659 4.936 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.878 6.287 5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.435 8.656 3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.401 4.311 4.175 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.964 6.682 1.726 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.635 4.522 1.395 1.00 0.00 H new ATOM 306 N THR A 24 -6.187 11.659 5.539 1.00 0.00 N ATOM 307 CA THR A 24 -5.973 12.872 6.317 1.00 0.00 C ATOM 308 C THR A 24 -7.144 13.137 7.256 1.00 0.00 C ATOM 309 O THR A 24 -8.257 12.669 7.021 1.00 0.00 O ATOM 310 CB THR A 24 -5.774 14.097 5.404 1.00 0.00 C ATOM 311 OG1 THR A 24 -6.910 14.260 4.549 1.00 0.00 O ATOM 312 CG2 THR A 24 -4.516 13.945 4.562 1.00 0.00 C ATOM 0 H THR A 24 -6.419 11.822 4.559 1.00 0.00 H new ATOM 0 HA THR A 24 -5.068 12.715 6.905 1.00 0.00 H new ATOM 0 HB THR A 24 -5.665 14.979 6.035 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.852 15.124 4.089 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.396 14.822 3.925 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.649 13.851 5.216 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.600 13.054 3.940 1.00 0.00 H new ATOM 320 N GLU A 25 -6.885 13.891 8.320 1.00 0.00 N ATOM 321 CA GLU A 25 -7.920 14.218 9.294 1.00 0.00 C ATOM 322 C GLU A 25 -9.246 14.516 8.600 1.00 0.00 C ATOM 323 O GLU A 25 -10.305 14.085 9.052 1.00 0.00 O ATOM 324 CB GLU A 25 -7.493 15.420 10.140 1.00 0.00 C ATOM 325 CG GLU A 25 -8.271 15.556 11.439 1.00 0.00 C ATOM 326 CD GLU A 25 -8.355 16.991 11.920 1.00 0.00 C ATOM 327 OE1 GLU A 25 -8.597 17.884 11.081 1.00 0.00 O ATOM 328 OE2 GLU A 25 -8.179 17.222 13.134 1.00 0.00 O ATOM 0 H GLU A 25 -5.968 14.286 8.529 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.057 13.354 9.945 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.431 15.333 10.369 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.619 16.330 9.553 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.278 15.164 11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.797 14.946 12.208 1.00 0.00 H new ATOM 335 N ASN A 26 -9.177 15.257 7.499 1.00 0.00 N ATOM 336 CA ASN A 26 -10.372 15.614 6.742 1.00 0.00 C ATOM 337 C ASN A 26 -11.030 14.373 6.147 1.00 0.00 C ATOM 338 O ASN A 26 -12.251 14.226 6.185 1.00 0.00 O ATOM 339 CB ASN A 26 -10.020 16.602 5.628 1.00 0.00 C ATOM 340 CG ASN A 26 -11.172 17.529 5.292 1.00 0.00 C ATOM 341 OD1 ASN A 26 -12.009 17.831 6.142 1.00 0.00 O ATOM 342 ND2 ASN A 26 -11.219 17.984 4.045 1.00 0.00 N ATOM 0 H ASN A 26 -8.307 15.622 7.111 1.00 0.00 H new ATOM 0 HA ASN A 26 -11.078 16.085 7.426 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -9.157 17.195 5.931 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -9.729 16.049 4.735 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -11.971 18.611 3.759 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -10.503 17.707 3.374 1.00 0.00 H new ATOM 349 N GLY A 27 -10.211 13.481 5.598 1.00 0.00 N ATOM 350 CA GLY A 27 -10.731 12.264 5.003 1.00 0.00 C ATOM 351 C GLY A 27 -10.190 12.023 3.608 1.00 0.00 C ATOM 352 O GLY A 27 -10.819 11.339 2.801 1.00 0.00 O ATOM 0 H GLY A 27 -9.197 13.580 5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.478 11.416 5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.819 12.319 4.963 1.00 0.00 H new ATOM 356 N GLU A 28 -9.021 12.588 3.322 1.00 0.00 N ATOM 357 CA GLU A 28 -8.397 12.433 2.014 1.00 0.00 C ATOM 358 C GLU A 28 -7.384 11.292 2.026 1.00 0.00 C ATOM 359 O GLU A 28 -6.426 11.306 2.799 1.00 0.00 O ATOM 360 CB GLU A 28 -7.712 13.734 1.593 1.00 0.00 C ATOM 361 CG GLU A 28 -8.645 14.933 1.565 1.00 0.00 C ATOM 362 CD GLU A 28 -9.313 15.121 0.216 1.00 0.00 C ATOM 363 OE1 GLU A 28 -8.653 14.866 -0.813 1.00 0.00 O ATOM 364 OE2 GLU A 28 -10.495 15.523 0.190 1.00 0.00 O ATOM 0 H GLU A 28 -8.487 13.157 3.979 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.179 12.194 1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.890 13.940 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.276 13.601 0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.410 14.811 2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.083 15.832 1.816 1.00 0.00 H new ATOM 371 N VAL A 29 -7.602 10.305 1.163 1.00 0.00 N ATOM 372 CA VAL A 29 -6.709 9.156 1.073 1.00 0.00 C ATOM 373 C VAL A 29 -5.419 9.519 0.346 1.00 0.00 C ATOM 374 O VAL A 29 -5.446 9.971 -0.799 1.00 0.00 O ATOM 375 CB VAL A 29 -7.382 7.977 0.346 1.00 0.00 C ATOM 376 CG1 VAL A 29 -7.516 8.273 -1.140 1.00 0.00 C ATOM 377 CG2 VAL A 29 -6.597 6.694 0.573 1.00 0.00 C ATOM 0 H VAL A 29 -8.390 10.278 0.516 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.475 8.856 2.094 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.382 7.842 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.994 7.429 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.123 9.167 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.527 8.435 -1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.087 5.871 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.584 6.815 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.557 6.476 1.640 1.00 0.00 H new ATOM 387 N TYR A 30 -4.291 9.317 1.018 1.00 0.00 N ATOM 388 CA TYR A 30 -2.990 9.625 0.436 1.00 0.00 C ATOM 389 C TYR A 30 -2.019 8.463 0.628 1.00 0.00 C ATOM 390 O TYR A 30 -2.290 7.531 1.385 1.00 0.00 O ATOM 391 CB TYR A 30 -2.414 10.894 1.065 1.00 0.00 C ATOM 392 CG TYR A 30 -2.229 10.798 2.563 1.00 0.00 C ATOM 393 CD1 TYR A 30 -3.277 11.077 3.432 1.00 0.00 C ATOM 394 CD2 TYR A 30 -1.006 10.428 3.110 1.00 0.00 C ATOM 395 CE1 TYR A 30 -3.113 10.991 4.800 1.00 0.00 C ATOM 396 CE2 TYR A 30 -0.833 10.338 4.477 1.00 0.00 C ATOM 397 CZ TYR A 30 -1.889 10.621 5.318 1.00 0.00 C ATOM 398 OH TYR A 30 -1.722 10.532 6.681 1.00 0.00 O ATOM 0 H TYR A 30 -4.251 8.942 1.966 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.128 9.788 -0.633 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.452 11.114 0.602 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.075 11.732 0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.237 11.366 3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.177 10.207 2.454 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.938 11.212 5.461 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.124 10.048 4.885 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.802 10.258 6.881 1.00 0.00 H new ATOM 408 N PHE A 31 -0.886 8.527 -0.064 1.00 0.00 N ATOM 409 CA PHE A 31 0.126 7.482 0.029 1.00 0.00 C ATOM 410 C PHE A 31 1.439 8.042 0.568 1.00 0.00 C ATOM 411 O PHE A 31 2.010 8.972 -0.004 1.00 0.00 O ATOM 412 CB PHE A 31 0.356 6.842 -1.342 1.00 0.00 C ATOM 413 CG PHE A 31 -0.813 6.035 -1.830 1.00 0.00 C ATOM 414 CD1 PHE A 31 -1.860 6.644 -2.503 1.00 0.00 C ATOM 415 CD2 PHE A 31 -0.865 4.667 -1.617 1.00 0.00 C ATOM 416 CE1 PHE A 31 -2.937 5.904 -2.952 1.00 0.00 C ATOM 417 CE2 PHE A 31 -1.939 3.921 -2.064 1.00 0.00 C ATOM 418 CZ PHE A 31 -2.976 4.541 -2.734 1.00 0.00 C ATOM 0 H PHE A 31 -0.646 9.292 -0.695 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.235 6.722 0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.575 7.625 -2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.235 6.200 -1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.834 7.709 -2.679 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.056 4.177 -1.095 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.748 6.391 -3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.968 2.856 -1.890 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.816 3.961 -3.087 1.00 0.00 H new ATOM 428 N ILE A 32 1.911 7.471 1.670 1.00 0.00 N ATOM 429 CA ILE A 32 3.156 7.913 2.286 1.00 0.00 C ATOM 430 C ILE A 32 4.344 7.116 1.757 1.00 0.00 C ATOM 431 O ILE A 32 4.393 5.893 1.889 1.00 0.00 O ATOM 432 CB ILE A 32 3.105 7.779 3.819 1.00 0.00 C ATOM 433 CG1 ILE A 32 2.365 8.969 4.433 1.00 0.00 C ATOM 434 CG2 ILE A 32 4.511 7.672 4.389 1.00 0.00 C ATOM 435 CD1 ILE A 32 3.259 10.156 4.716 1.00 0.00 C ATOM 0 H ILE A 32 1.450 6.701 2.155 1.00 0.00 H new ATOM 0 HA ILE A 32 3.281 8.964 2.025 1.00 0.00 H new ATOM 0 HB ILE A 32 2.562 6.868 4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.567 9.278 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.891 8.652 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.458 7.578 5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.007 6.795 3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.078 8.566 4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.667 10.962 5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.042 9.863 5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.713 10.499 3.786 1.00 0.00 H new ATOM 447 N ASP A 33 5.300 7.817 1.159 1.00 0.00 N ATOM 448 CA ASP A 33 6.491 7.176 0.612 1.00 0.00 C ATOM 449 C ASP A 33 7.703 7.433 1.501 1.00 0.00 C ATOM 450 O ASP A 33 8.304 8.507 1.454 1.00 0.00 O ATOM 451 CB ASP A 33 6.764 7.684 -0.805 1.00 0.00 C ATOM 452 CG ASP A 33 8.070 7.156 -1.367 1.00 0.00 C ATOM 453 OD1 ASP A 33 9.104 7.275 -0.677 1.00 0.00 O ATOM 454 OD2 ASP A 33 8.056 6.624 -2.496 1.00 0.00 O ATOM 0 H ASP A 33 5.274 8.830 1.040 1.00 0.00 H new ATOM 0 HA ASP A 33 6.312 6.101 0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.944 7.387 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.788 8.774 -0.799 1.00 0.00 H new ATOM 459 N HIS A 34 8.057 6.441 2.311 1.00 0.00 N ATOM 460 CA HIS A 34 9.198 6.559 3.212 1.00 0.00 C ATOM 461 C HIS A 34 10.511 6.489 2.438 1.00 0.00 C ATOM 462 O HIS A 34 11.415 7.294 2.656 1.00 0.00 O ATOM 463 CB HIS A 34 9.157 5.456 4.270 1.00 0.00 C ATOM 464 CG HIS A 34 7.958 5.529 5.165 1.00 0.00 C ATOM 465 ND1 HIS A 34 8.025 5.931 6.482 1.00 0.00 N ATOM 466 CD2 HIS A 34 6.655 5.250 4.924 1.00 0.00 C ATOM 467 CE1 HIS A 34 6.816 5.894 7.013 1.00 0.00 C ATOM 468 NE2 HIS A 34 5.967 5.485 6.088 1.00 0.00 N ATOM 0 H HIS A 34 7.570 5.546 2.362 1.00 0.00 H new ATOM 0 HA HIS A 34 9.139 7.528 3.707 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.170 4.486 3.773 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.059 5.514 4.879 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.235 4.907 3.990 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.565 6.154 8.031 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.963 5.363 6.218 1.00 0.00 H new ATOM 476 N ASN A 35 10.608 5.519 1.534 1.00 0.00 N ATOM 477 CA ASN A 35 11.811 5.343 0.728 1.00 0.00 C ATOM 478 C ASN A 35 12.405 6.692 0.335 1.00 0.00 C ATOM 479 O ASN A 35 13.619 6.827 0.177 1.00 0.00 O ATOM 480 CB ASN A 35 11.495 4.527 -0.526 1.00 0.00 C ATOM 481 CG ASN A 35 10.245 5.015 -1.234 1.00 0.00 C ATOM 482 OD1 ASN A 35 10.323 5.758 -2.212 1.00 0.00 O ATOM 483 ND2 ASN A 35 9.085 4.598 -0.741 1.00 0.00 N ATOM 0 H ASN A 35 9.869 4.843 1.341 1.00 0.00 H new ATOM 0 HA ASN A 35 12.545 4.804 1.328 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.341 4.578 -1.212 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.369 3.480 -0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.211 4.893 -1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.068 3.982 0.072 1.00 0.00 H new ATOM 490 N THR A 36 11.540 7.690 0.178 1.00 0.00 N ATOM 491 CA THR A 36 11.978 9.029 -0.198 1.00 0.00 C ATOM 492 C THR A 36 11.381 10.082 0.728 1.00 0.00 C ATOM 493 O THR A 36 11.709 11.265 0.633 1.00 0.00 O ATOM 494 CB THR A 36 11.589 9.359 -1.651 1.00 0.00 C ATOM 495 OG1 THR A 36 10.164 9.373 -1.787 1.00 0.00 O ATOM 496 CG2 THR A 36 12.186 8.345 -2.615 1.00 0.00 C ATOM 0 H THR A 36 10.532 7.596 0.305 1.00 0.00 H new ATOM 0 HA THR A 36 13.064 9.044 -0.108 1.00 0.00 H new ATOM 0 HB THR A 36 11.985 10.345 -1.894 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.762 8.842 -1.068 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.897 8.599 -3.635 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.273 8.359 -2.531 1.00 0.00 H new ATOM 0 HG23 THR A 36 11.816 7.349 -2.371 1.00 0.00 H new ATOM 504 N LYS A 37 10.503 9.646 1.625 1.00 0.00 N ATOM 505 CA LYS A 37 9.860 10.551 2.570 1.00 0.00 C ATOM 506 C LYS A 37 9.006 11.583 1.841 1.00 0.00 C ATOM 507 O LYS A 37 9.072 12.778 2.134 1.00 0.00 O ATOM 508 CB LYS A 37 10.913 11.258 3.427 1.00 0.00 C ATOM 509 CG LYS A 37 11.698 10.318 4.325 1.00 0.00 C ATOM 510 CD LYS A 37 10.911 9.951 5.572 1.00 0.00 C ATOM 511 CE LYS A 37 10.920 11.081 6.589 1.00 0.00 C ATOM 512 NZ LYS A 37 12.266 11.271 7.196 1.00 0.00 N ATOM 0 H LYS A 37 10.220 8.670 1.717 1.00 0.00 H new ATOM 0 HA LYS A 37 9.211 9.960 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.607 11.786 2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.422 12.010 4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.950 9.412 3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.638 10.789 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.883 9.715 5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.336 9.053 6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.606 12.006 6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.194 10.869 7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.178 11.832 8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.679 10.344 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.883 11.770 6.524 1.00 0.00 H new ATOM 526 N THR A 38 8.202 11.115 0.891 1.00 0.00 N ATOM 527 CA THR A 38 7.335 11.997 0.121 1.00 0.00 C ATOM 528 C THR A 38 5.869 11.613 0.292 1.00 0.00 C ATOM 529 O THR A 38 5.553 10.531 0.786 1.00 0.00 O ATOM 530 CB THR A 38 7.690 11.966 -1.377 1.00 0.00 C ATOM 531 OG1 THR A 38 9.110 12.051 -1.546 1.00 0.00 O ATOM 532 CG2 THR A 38 7.018 13.113 -2.117 1.00 0.00 C ATOM 0 H THR A 38 8.134 10.130 0.637 1.00 0.00 H new ATOM 0 HA THR A 38 7.491 13.006 0.503 1.00 0.00 H new ATOM 0 HB THR A 38 7.330 11.025 -1.793 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.484 11.149 -1.628 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.284 13.070 -3.173 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.936 13.030 -2.011 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.352 14.062 -1.697 1.00 0.00 H new ATOM 540 N THR A 39 4.976 12.507 -0.121 1.00 0.00 N ATOM 541 CA THR A 39 3.544 12.262 -0.014 1.00 0.00 C ATOM 542 C THR A 39 2.838 12.537 -1.336 1.00 0.00 C ATOM 543 O THR A 39 2.995 13.608 -1.924 1.00 0.00 O ATOM 544 CB THR A 39 2.906 13.132 1.086 1.00 0.00 C ATOM 545 OG1 THR A 39 3.527 14.422 1.112 1.00 0.00 O ATOM 546 CG2 THR A 39 3.044 12.470 2.448 1.00 0.00 C ATOM 0 H THR A 39 5.220 13.408 -0.533 1.00 0.00 H new ATOM 0 HA THR A 39 3.422 11.211 0.247 1.00 0.00 H new ATOM 0 HB THR A 39 1.846 13.244 0.860 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.115 14.969 1.813 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.586 13.103 3.208 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.545 11.501 2.434 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.100 12.331 2.680 1.00 0.00 H new ATOM 554 N SER A 40 2.059 11.565 -1.800 1.00 0.00 N ATOM 555 CA SER A 40 1.331 11.701 -3.056 1.00 0.00 C ATOM 556 C SER A 40 -0.150 11.390 -2.862 1.00 0.00 C ATOM 557 O SER A 40 -0.547 10.816 -1.848 1.00 0.00 O ATOM 558 CB SER A 40 1.924 10.773 -4.117 1.00 0.00 C ATOM 559 OG SER A 40 1.724 11.293 -5.420 1.00 0.00 O ATOM 0 H SER A 40 1.916 10.674 -1.324 1.00 0.00 H new ATOM 0 HA SER A 40 1.427 12.733 -3.393 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.991 10.642 -3.934 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.464 9.788 -4.041 1.00 0.00 H new ATOM 0 HG SER A 40 2.114 10.682 -6.080 1.00 0.00 H new ATOM 565 N TRP A 41 -0.961 11.774 -3.841 1.00 0.00 N ATOM 566 CA TRP A 41 -2.399 11.536 -3.779 1.00 0.00 C ATOM 567 C TRP A 41 -2.770 10.247 -4.504 1.00 0.00 C ATOM 568 O TRP A 41 -3.719 9.561 -4.125 1.00 0.00 O ATOM 569 CB TRP A 41 -3.158 12.716 -4.389 1.00 0.00 C ATOM 570 CG TRP A 41 -3.144 13.941 -3.526 1.00 0.00 C ATOM 571 CD1 TRP A 41 -2.634 15.166 -3.851 1.00 0.00 C ATOM 572 CD2 TRP A 41 -3.662 14.059 -2.197 1.00 0.00 C ATOM 573 NE1 TRP A 41 -2.803 16.038 -2.802 1.00 0.00 N ATOM 574 CE2 TRP A 41 -3.432 15.384 -1.776 1.00 0.00 C ATOM 575 CE3 TRP A 41 -4.299 13.176 -1.321 1.00 0.00 C ATOM 576 CZ2 TRP A 41 -3.817 15.843 -0.519 1.00 0.00 C ATOM 577 CZ3 TRP A 41 -4.680 13.633 -0.074 1.00 0.00 C ATOM 578 CH2 TRP A 41 -4.439 14.957 0.317 1.00 0.00 C ATOM 0 H TRP A 41 -0.648 12.251 -4.687 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.681 11.434 -2.731 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.721 12.958 -5.358 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.191 12.420 -4.570 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.167 15.413 -4.793 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.508 17.014 -2.790 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.490 12.154 -1.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.631 16.862 -0.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.172 12.958 0.611 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.751 15.284 1.298 1.00 0.00 H new ATOM 589 N LEU A 42 -2.015 9.923 -5.548 1.00 0.00 N ATOM 590 CA LEU A 42 -2.265 8.715 -6.327 1.00 0.00 C ATOM 591 C LEU A 42 -1.471 7.537 -5.773 1.00 0.00 C ATOM 592 O LEU A 42 -0.701 7.685 -4.824 1.00 0.00 O ATOM 593 CB LEU A 42 -1.901 8.946 -7.795 1.00 0.00 C ATOM 594 CG LEU A 42 -2.793 9.922 -8.562 1.00 0.00 C ATOM 595 CD1 LEU A 42 -2.128 10.344 -9.863 1.00 0.00 C ATOM 596 CD2 LEU A 42 -4.154 9.297 -8.835 1.00 0.00 C ATOM 0 H LEU A 42 -1.225 10.480 -5.875 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.327 8.479 -6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.875 9.310 -7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.922 7.985 -8.309 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.939 10.811 -7.948 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.778 11.039 -10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.178 10.831 -9.645 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.951 9.465 -10.483 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.777 10.005 -9.382 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.026 8.392 -9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.635 9.045 -7.890 1.00 0.00 H new ATOM 608 N ASP A 43 -1.661 6.367 -6.374 1.00 0.00 N ATOM 609 CA ASP A 43 -0.960 5.163 -5.943 1.00 0.00 C ATOM 610 C ASP A 43 0.255 4.897 -6.826 1.00 0.00 C ATOM 611 O ASP A 43 0.228 5.101 -8.040 1.00 0.00 O ATOM 612 CB ASP A 43 -1.903 3.959 -5.974 1.00 0.00 C ATOM 613 CG ASP A 43 -1.175 2.661 -6.264 1.00 0.00 C ATOM 614 OD1 ASP A 43 -0.685 2.030 -5.304 1.00 0.00 O ATOM 615 OD2 ASP A 43 -1.094 2.278 -7.449 1.00 0.00 O ATOM 0 H ASP A 43 -2.295 6.227 -7.161 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.616 5.318 -4.920 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.416 3.878 -5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.669 4.120 -6.733 1.00 0.00 H new ATOM 620 N PRO A 44 1.348 4.430 -6.204 1.00 0.00 N ATOM 621 CA PRO A 44 2.594 4.126 -6.915 1.00 0.00 C ATOM 622 C PRO A 44 2.464 2.902 -7.815 1.00 0.00 C ATOM 623 O PRO A 44 2.933 2.905 -8.953 1.00 0.00 O ATOM 624 CB PRO A 44 3.590 3.855 -5.784 1.00 0.00 C ATOM 625 CG PRO A 44 2.749 3.412 -4.637 1.00 0.00 C ATOM 626 CD PRO A 44 1.452 4.163 -4.760 1.00 0.00 C ATOM 0 HA PRO A 44 2.893 4.937 -7.580 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.310 3.087 -6.066 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.159 4.750 -5.535 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.581 2.335 -4.669 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.238 3.630 -3.687 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.610 3.572 -4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.466 5.086 -4.181 1.00 0.00 H new ATOM 634 N ARG A 45 1.824 1.859 -7.298 1.00 0.00 N ATOM 635 CA ARG A 45 1.633 0.628 -8.056 1.00 0.00 C ATOM 636 C ARG A 45 1.154 0.930 -9.473 1.00 0.00 C ATOM 637 O ARG A 45 1.367 0.139 -10.393 1.00 0.00 O ATOM 638 CB ARG A 45 0.626 -0.281 -7.349 1.00 0.00 C ATOM 639 CG ARG A 45 1.210 -1.029 -6.162 1.00 0.00 C ATOM 640 CD ARG A 45 0.118 -1.642 -5.298 1.00 0.00 C ATOM 641 NE ARG A 45 -0.589 -0.633 -4.513 1.00 0.00 N ATOM 642 CZ ARG A 45 -1.775 -0.838 -3.951 1.00 0.00 C ATOM 643 NH1 ARG A 45 -2.384 -2.008 -4.087 1.00 0.00 N ATOM 644 NH2 ARG A 45 -2.355 0.130 -3.252 1.00 0.00 N ATOM 0 H ARG A 45 1.429 1.841 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 45 2.594 0.117 -8.117 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.218 0.320 -7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.235 -1.003 -8.066 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.878 -1.814 -6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.811 -0.347 -5.561 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.593 -2.171 -5.933 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.558 -2.381 -4.628 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.148 0.278 -4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.942 -2.754 -4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.295 -2.162 -3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.890 1.032 -3.146 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.266 -0.028 -2.821 1.00 0.00 H new ATOM 658 N CYS A 46 0.507 2.078 -9.640 1.00 0.00 N ATOM 659 CA CYS A 46 -0.004 2.484 -10.945 1.00 0.00 C ATOM 660 C CYS A 46 1.131 2.616 -11.956 1.00 0.00 C ATOM 661 O CYS A 46 0.985 2.246 -13.121 1.00 0.00 O ATOM 662 CB CYS A 46 -0.758 3.810 -10.830 1.00 0.00 C ATOM 663 SG CYS A 46 -1.909 4.124 -12.189 1.00 0.00 S ATOM 0 H CYS A 46 0.324 2.744 -8.889 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.690 1.713 -11.295 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.310 3.822 -9.890 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.035 4.624 -10.785 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.500 5.267 -12.002 1.00 0.00 H new ATOM 669 N LEU A 47 2.261 3.148 -11.503 1.00 0.00 N ATOM 670 CA LEU A 47 3.421 3.331 -12.368 1.00 0.00 C ATOM 671 C LEU A 47 4.230 2.042 -12.475 1.00 0.00 C ATOM 672 O LEU A 47 4.299 1.261 -11.526 1.00 0.00 O ATOM 673 CB LEU A 47 4.306 4.459 -11.835 1.00 0.00 C ATOM 674 CG LEU A 47 5.225 4.097 -10.667 1.00 0.00 C ATOM 675 CD1 LEU A 47 6.569 3.602 -11.179 1.00 0.00 C ATOM 676 CD2 LEU A 47 5.411 5.292 -9.744 1.00 0.00 C ATOM 0 H LEU A 47 2.398 3.460 -10.542 1.00 0.00 H new ATOM 0 HA LEU A 47 3.063 3.597 -13.363 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.922 4.829 -12.655 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.663 5.282 -11.523 1.00 0.00 H new ATOM 0 HG LEU A 47 4.758 3.293 -10.098 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.210 3.349 -10.334 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.419 2.718 -11.798 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.043 4.384 -11.772 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.068 5.016 -8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.856 6.116 -10.301 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.443 5.601 -9.349 1.00 0.00 H new ATOM 688 N ASN A 48 4.841 1.827 -13.635 1.00 0.00 N ATOM 689 CA ASN A 48 5.646 0.633 -13.865 1.00 0.00 C ATOM 690 C ASN A 48 7.134 0.971 -13.856 1.00 0.00 C ATOM 691 O ASN A 48 7.517 2.140 -13.803 1.00 0.00 O ATOM 692 CB ASN A 48 5.267 -0.014 -15.199 1.00 0.00 C ATOM 693 CG ASN A 48 4.154 -1.033 -15.051 1.00 0.00 C ATOM 694 OD1 ASN A 48 4.090 -1.760 -14.060 1.00 0.00 O ATOM 695 ND2 ASN A 48 3.269 -1.090 -16.040 1.00 0.00 N ATOM 0 H ASN A 48 4.794 2.464 -14.430 1.00 0.00 H new ATOM 0 HA ASN A 48 5.446 -0.071 -13.057 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.956 0.761 -15.900 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.145 -0.498 -15.627 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.498 -1.756 -15.996 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.361 -0.468 -16.843 1.00 0.00 H new ATOM 702 N LYS A 49 7.969 -0.061 -13.908 1.00 0.00 N ATOM 703 CA LYS A 49 9.416 0.124 -13.908 1.00 0.00 C ATOM 704 C LYS A 49 9.891 0.697 -15.239 1.00 0.00 C ATOM 705 O LYS A 49 10.948 1.323 -15.313 1.00 0.00 O ATOM 706 CB LYS A 49 10.121 -1.206 -13.632 1.00 0.00 C ATOM 707 CG LYS A 49 9.926 -2.237 -14.730 1.00 0.00 C ATOM 708 CD LYS A 49 11.003 -2.127 -15.796 1.00 0.00 C ATOM 709 CE LYS A 49 12.254 -2.901 -15.407 1.00 0.00 C ATOM 710 NZ LYS A 49 12.128 -4.351 -15.722 1.00 0.00 N ATOM 0 H LYS A 49 7.669 -1.035 -13.951 1.00 0.00 H new ATOM 0 HA LYS A 49 9.667 0.832 -13.118 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.188 -1.022 -13.503 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.752 -1.615 -12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.942 -3.238 -14.298 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.946 -2.102 -15.187 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.619 -2.506 -16.743 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.256 -1.078 -15.952 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.115 -2.488 -15.933 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.442 -2.776 -14.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.000 -4.844 -15.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.322 -4.751 -15.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.974 -4.472 -16.743 1.00 0.00 H new ATOM 724 N GLN A 50 9.104 0.478 -16.288 1.00 0.00 N ATOM 725 CA GLN A 50 9.445 0.974 -17.616 1.00 0.00 C ATOM 726 C GLN A 50 9.734 2.471 -17.580 1.00 0.00 C ATOM 727 O GLN A 50 9.133 3.209 -16.801 1.00 0.00 O ATOM 728 CB GLN A 50 8.310 0.684 -18.599 1.00 0.00 C ATOM 729 CG GLN A 50 7.040 1.468 -18.310 1.00 0.00 C ATOM 730 CD GLN A 50 5.789 0.738 -18.756 1.00 0.00 C ATOM 731 OE1 GLN A 50 5.206 -0.039 -17.998 1.00 0.00 O ATOM 732 NE2 GLN A 50 5.368 0.983 -19.991 1.00 0.00 N ATOM 0 H GLN A 50 8.226 -0.040 -16.244 1.00 0.00 H new ATOM 0 HA GLN A 50 10.345 0.457 -17.950 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.648 0.915 -19.609 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.083 -0.382 -18.575 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.977 1.669 -17.240 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.091 2.434 -18.813 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.881 1.634 -20.585 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.531 0.520 -20.346 1.00 0.00 H new ATOM 741 N GLN A 51 10.658 2.910 -18.429 1.00 0.00 N ATOM 742 CA GLN A 51 11.026 4.320 -18.493 1.00 0.00 C ATOM 743 C GLN A 51 11.018 4.819 -19.934 1.00 0.00 C ATOM 744 O GLN A 51 11.867 5.618 -20.330 1.00 0.00 O ATOM 745 CB GLN A 51 12.409 4.536 -17.874 1.00 0.00 C ATOM 746 CG GLN A 51 13.538 3.902 -18.671 1.00 0.00 C ATOM 747 CD GLN A 51 14.766 3.628 -17.826 1.00 0.00 C ATOM 748 OE1 GLN A 51 15.809 4.258 -18.003 1.00 0.00 O ATOM 749 NE2 GLN A 51 14.649 2.684 -16.900 1.00 0.00 N ATOM 0 H GLN A 51 11.165 2.311 -19.081 1.00 0.00 H new ATOM 0 HA GLN A 51 10.289 4.889 -17.926 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.595 5.606 -17.785 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.414 4.126 -16.864 1.00 0.00 H new ATOM 0 HG2 GLN A 51 13.188 2.968 -19.110 1.00 0.00 H new ATOM 0 HG3 GLN A 51 13.809 4.560 -19.497 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.766 2.187 -16.788 1.00 0.00 H new ATOM 0 HE22 GLN A 51 15.442 2.456 -16.301 1.00 0.00 H new ATOM 758 N SER A 52 10.052 4.343 -20.715 1.00 0.00 N ATOM 759 CA SER A 52 9.936 4.739 -22.113 1.00 0.00 C ATOM 760 C SER A 52 9.379 6.154 -22.233 1.00 0.00 C ATOM 761 O SER A 52 8.241 6.420 -21.851 1.00 0.00 O ATOM 762 CB SER A 52 9.035 3.759 -22.869 1.00 0.00 C ATOM 763 OG SER A 52 7.755 3.676 -22.267 1.00 0.00 O ATOM 0 H SER A 52 9.340 3.683 -20.403 1.00 0.00 H new ATOM 0 HA SER A 52 10.933 4.721 -22.554 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.933 4.080 -23.906 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.498 2.772 -22.885 1.00 0.00 H new ATOM 0 HG SER A 52 7.474 4.567 -21.972 1.00 0.00 H new ATOM 769 N GLY A 53 10.193 7.060 -22.767 1.00 0.00 N ATOM 770 CA GLY A 53 9.766 8.438 -22.928 1.00 0.00 C ATOM 771 C GLY A 53 10.825 9.428 -22.486 1.00 0.00 C ATOM 772 O GLY A 53 10.805 9.929 -21.361 1.00 0.00 O ATOM 0 H GLY A 53 11.140 6.864 -23.091 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.518 8.619 -23.974 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.856 8.603 -22.352 1.00 0.00 H new ATOM 776 N PRO A 54 11.777 9.724 -23.383 1.00 0.00 N ATOM 777 CA PRO A 54 12.867 10.662 -23.101 1.00 0.00 C ATOM 778 C PRO A 54 12.379 12.103 -22.999 1.00 0.00 C ATOM 779 O PRO A 54 13.080 12.970 -22.477 1.00 0.00 O ATOM 780 CB PRO A 54 13.798 10.497 -24.305 1.00 0.00 C ATOM 781 CG PRO A 54 12.915 10.011 -25.403 1.00 0.00 C ATOM 782 CD PRO A 54 11.862 9.164 -24.743 1.00 0.00 C ATOM 0 HA PRO A 54 13.345 10.455 -22.144 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.275 11.441 -24.569 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.596 9.785 -24.094 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.464 10.846 -25.940 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.482 9.432 -26.132 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.908 9.230 -25.265 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.145 8.111 -24.727 1.00 0.00 H new ATOM 790 N SER A 55 11.173 12.352 -23.500 1.00 0.00 N ATOM 791 CA SER A 55 10.593 13.689 -23.468 1.00 0.00 C ATOM 792 C SER A 55 9.425 13.752 -22.488 1.00 0.00 C ATOM 793 O SER A 55 8.277 13.503 -22.857 1.00 0.00 O ATOM 794 CB SER A 55 10.124 14.099 -24.865 1.00 0.00 C ATOM 795 OG SER A 55 9.173 13.179 -25.374 1.00 0.00 O ATOM 0 H SER A 55 10.579 11.645 -23.933 1.00 0.00 H new ATOM 0 HA SER A 55 11.363 14.384 -23.133 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.686 15.096 -24.827 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.980 14.152 -25.538 1.00 0.00 H new ATOM 0 HG SER A 55 8.476 13.024 -24.703 1.00 0.00 H new ATOM 801 N SER A 56 9.727 14.085 -21.237 1.00 0.00 N ATOM 802 CA SER A 56 8.704 14.176 -20.202 1.00 0.00 C ATOM 803 C SER A 56 8.036 15.548 -20.218 1.00 0.00 C ATOM 804 O SER A 56 6.844 15.667 -20.497 1.00 0.00 O ATOM 805 CB SER A 56 9.316 13.910 -18.826 1.00 0.00 C ATOM 806 OG SER A 56 8.308 13.713 -17.849 1.00 0.00 O ATOM 0 H SER A 56 10.672 14.296 -20.916 1.00 0.00 H new ATOM 0 HA SER A 56 7.946 13.420 -20.407 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.958 13.030 -18.874 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.948 14.750 -18.537 1.00 0.00 H new ATOM 0 HG SER A 56 8.725 13.543 -16.979 1.00 0.00 H new ATOM 812 N GLY A 57 8.815 16.582 -19.917 1.00 0.00 N ATOM 813 CA GLY A 57 8.283 17.932 -19.901 1.00 0.00 C ATOM 814 C GLY A 57 8.767 18.733 -18.709 1.00 0.00 C ATOM 815 O GLY A 57 8.010 18.984 -17.773 1.00 0.00 O ATOM 0 H GLY A 57 9.805 16.509 -19.684 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.571 18.443 -20.819 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.194 17.890 -19.888 1.00 0.00 H new TER 819 GLY A 57