USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=19 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 36 THR OG1 : rot -17:sc= 0.257! USER MOD Set 1.2: A 38 THR OG1 : rot 91:sc= 0.507 USER MOD Set 2.1: A 18 ASN : amide:sc= -1.11! C(o=-9!,f=-15!) USER MOD Set 2.2: A 35 ASN :FLIP amide:sc= -7.91! C(o=-14!,f=-9!) USER MOD Single : A 1 GLY N :NH3+ 176:sc= 0 (180deg=-0.0179) USER MOD Single : A 2 SER OG : rot 32:sc= 0.218 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 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.21 K(o=-1.2,f=-7.3!) 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 180:sc= 0.0237 USER MOD Single : A 26 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.7!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -1.59 X(o=-1.6,f=-1.5) USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= -0.0307 (180deg=-0.275) 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= -1.73 X(o=-1.7,f=-1.9!) USER MOD Single : A 49 LYS NZ :NH3+ -122:sc= -0.316 (180deg=-1.9!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 51 GLN : amide:sc= -1.97 K(o=-2,f=-4.3!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 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 -7.496 -18.874 -29.937 1.00 0.00 N ATOM 2 CA GLY A 1 -8.159 -17.632 -30.290 1.00 0.00 C ATOM 3 C GLY A 1 -8.089 -16.602 -29.181 1.00 0.00 C ATOM 4 O GLY A 1 -9.078 -15.932 -28.884 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.630 -19.568 -30.700 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.480 -18.699 -29.803 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.903 -19.246 -29.055 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.702 -17.223 -31.191 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.203 -17.836 -30.527 1.00 0.00 H new ATOM 8 N SER A 2 -6.918 -16.476 -28.565 1.00 0.00 N ATOM 9 CA SER A 2 -6.725 -15.523 -27.478 1.00 0.00 C ATOM 10 C SER A 2 -5.334 -14.899 -27.544 1.00 0.00 C ATOM 11 O SER A 2 -4.331 -15.602 -27.661 1.00 0.00 O ATOM 12 CB SER A 2 -6.923 -16.213 -26.127 1.00 0.00 C ATOM 13 OG SER A 2 -5.901 -17.163 -25.884 1.00 0.00 O ATOM 0 H SER A 2 -6.089 -17.022 -28.800 1.00 0.00 H new ATOM 0 HA SER A 2 -7.465 -14.730 -27.586 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.927 -15.468 -25.332 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.895 -16.706 -26.106 1.00 0.00 H new ATOM 0 HG SER A 2 -5.069 -16.863 -26.306 1.00 0.00 H new ATOM 19 N SER A 3 -5.284 -13.573 -27.468 1.00 0.00 N ATOM 20 CA SER A 3 -4.018 -12.851 -27.522 1.00 0.00 C ATOM 21 C SER A 3 -3.136 -13.211 -26.330 1.00 0.00 C ATOM 22 O SER A 3 -3.170 -12.545 -25.296 1.00 0.00 O ATOM 23 CB SER A 3 -4.267 -11.342 -27.550 1.00 0.00 C ATOM 24 OG SER A 3 -4.697 -10.920 -28.833 1.00 0.00 O ATOM 0 H SER A 3 -6.106 -12.977 -27.369 1.00 0.00 H new ATOM 0 HA SER A 3 -3.501 -13.143 -28.436 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.020 -11.081 -26.806 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.353 -10.814 -27.277 1.00 0.00 H new ATOM 0 HG SER A 3 -4.851 -9.952 -28.824 1.00 0.00 H new ATOM 30 N GLY A 4 -2.347 -14.270 -26.484 1.00 0.00 N ATOM 31 CA GLY A 4 -1.467 -14.700 -25.413 1.00 0.00 C ATOM 32 C GLY A 4 -1.400 -16.210 -25.290 1.00 0.00 C ATOM 33 O GLY A 4 -1.573 -16.928 -26.274 1.00 0.00 O ATOM 0 H GLY A 4 -2.301 -14.837 -27.330 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.465 -14.308 -25.590 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.813 -14.277 -24.470 1.00 0.00 H new ATOM 37 N SER A 5 -1.146 -16.692 -24.077 1.00 0.00 N ATOM 38 CA SER A 5 -1.050 -18.126 -23.830 1.00 0.00 C ATOM 39 C SER A 5 -2.230 -18.612 -22.993 1.00 0.00 C ATOM 40 O SER A 5 -2.064 -19.412 -22.072 1.00 0.00 O ATOM 41 CB SER A 5 0.264 -18.456 -23.119 1.00 0.00 C ATOM 42 OG SER A 5 0.444 -17.640 -21.975 1.00 0.00 O ATOM 0 H SER A 5 -1.003 -16.111 -23.251 1.00 0.00 H new ATOM 0 HA SER A 5 -1.073 -18.638 -24.792 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.268 -19.506 -22.825 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.098 -18.314 -23.806 1.00 0.00 H new ATOM 0 HG SER A 5 1.290 -17.872 -21.538 1.00 0.00 H new ATOM 48 N SER A 6 -3.421 -18.124 -23.322 1.00 0.00 N ATOM 49 CA SER A 6 -4.629 -18.505 -22.599 1.00 0.00 C ATOM 50 C SER A 6 -4.426 -18.373 -21.093 1.00 0.00 C ATOM 51 O SER A 6 -4.850 -19.231 -20.320 1.00 0.00 O ATOM 52 CB SER A 6 -5.026 -19.941 -22.948 1.00 0.00 C ATOM 53 OG SER A 6 -6.421 -20.136 -22.794 1.00 0.00 O ATOM 0 H SER A 6 -3.576 -17.464 -24.084 1.00 0.00 H new ATOM 0 HA SER A 6 -5.431 -17.830 -22.900 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.736 -20.162 -23.975 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.485 -20.637 -22.307 1.00 0.00 H new ATOM 0 HG SER A 6 -6.649 -21.061 -23.024 1.00 0.00 H new ATOM 59 N GLY A 7 -3.772 -17.290 -20.683 1.00 0.00 N ATOM 60 CA GLY A 7 -3.523 -17.064 -19.271 1.00 0.00 C ATOM 61 C GLY A 7 -2.772 -15.772 -19.015 1.00 0.00 C ATOM 62 O GLY A 7 -1.686 -15.782 -18.437 1.00 0.00 O ATOM 0 H GLY A 7 -3.410 -16.566 -21.303 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.473 -17.041 -18.737 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.951 -17.899 -18.868 1.00 0.00 H new ATOM 66 N ALA A 8 -3.352 -14.657 -19.446 1.00 0.00 N ATOM 67 CA ALA A 8 -2.731 -13.352 -19.260 1.00 0.00 C ATOM 68 C ALA A 8 -2.768 -12.930 -17.795 1.00 0.00 C ATOM 69 O ALA A 8 -3.615 -12.134 -17.391 1.00 0.00 O ATOM 70 CB ALA A 8 -3.420 -12.310 -20.129 1.00 0.00 C ATOM 0 H ALA A 8 -4.251 -14.632 -19.927 1.00 0.00 H new ATOM 0 HA ALA A 8 -1.687 -13.428 -19.563 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.945 -11.340 -19.980 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.336 -12.597 -21.177 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.473 -12.245 -19.854 1.00 0.00 H new ATOM 76 N GLU A 9 -1.846 -13.471 -17.004 1.00 0.00 N ATOM 77 CA GLU A 9 -1.777 -13.151 -15.583 1.00 0.00 C ATOM 78 C GLU A 9 -1.402 -11.686 -15.373 1.00 0.00 C ATOM 79 O GLU A 9 -0.432 -11.194 -15.950 1.00 0.00 O ATOM 80 CB GLU A 9 -0.759 -14.054 -14.884 1.00 0.00 C ATOM 81 CG GLU A 9 -0.815 -13.974 -13.367 1.00 0.00 C ATOM 82 CD GLU A 9 -0.475 -12.592 -12.844 1.00 0.00 C ATOM 83 OE1 GLU A 9 0.552 -12.029 -13.280 1.00 0.00 O ATOM 84 OE2 GLU A 9 -1.234 -12.073 -11.999 1.00 0.00 O ATOM 0 H GLU A 9 -1.138 -14.132 -17.323 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.762 -13.322 -15.149 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.930 -15.086 -15.192 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.243 -13.784 -15.217 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.813 -14.251 -13.029 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.122 -14.700 -12.943 1.00 0.00 H new ATOM 91 N ASP A 10 -2.178 -10.997 -14.544 1.00 0.00 N ATOM 92 CA ASP A 10 -1.928 -9.589 -14.257 1.00 0.00 C ATOM 93 C ASP A 10 -2.334 -9.246 -12.827 1.00 0.00 C ATOM 94 O ASP A 10 -3.496 -9.389 -12.450 1.00 0.00 O ATOM 95 CB ASP A 10 -2.690 -8.702 -15.243 1.00 0.00 C ATOM 96 CG ASP A 10 -4.180 -8.981 -15.240 1.00 0.00 C ATOM 97 OD1 ASP A 10 -4.561 -10.170 -15.214 1.00 0.00 O ATOM 98 OD2 ASP A 10 -4.966 -8.010 -15.264 1.00 0.00 O ATOM 0 H ASP A 10 -2.985 -11.390 -14.059 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.859 -9.406 -14.367 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.519 -7.655 -14.993 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.296 -8.858 -16.247 1.00 0.00 H new ATOM 103 N ASN A 11 -1.367 -8.794 -12.035 1.00 0.00 N ATOM 104 CA ASN A 11 -1.623 -8.432 -10.646 1.00 0.00 C ATOM 105 C ASN A 11 -0.490 -7.575 -10.089 1.00 0.00 C ATOM 106 O ASN A 11 0.672 -7.981 -10.098 1.00 0.00 O ATOM 107 CB ASN A 11 -1.792 -9.691 -9.792 1.00 0.00 C ATOM 108 CG ASN A 11 -2.255 -9.376 -8.383 1.00 0.00 C ATOM 109 OD1 ASN A 11 -1.766 -8.439 -7.751 1.00 0.00 O ATOM 110 ND2 ASN A 11 -3.204 -10.159 -7.883 1.00 0.00 N ATOM 0 H ASN A 11 -0.399 -8.670 -12.332 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.545 -7.851 -10.612 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.513 -10.356 -10.268 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.844 -10.227 -9.749 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.556 -9.995 -6.940 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.581 -10.924 -8.442 1.00 0.00 H new ATOM 117 N LEU A 12 -0.838 -6.388 -9.604 1.00 0.00 N ATOM 118 CA LEU A 12 0.149 -5.472 -9.042 1.00 0.00 C ATOM 119 C LEU A 12 0.601 -5.939 -7.662 1.00 0.00 C ATOM 120 O LEU A 12 1.794 -5.962 -7.363 1.00 0.00 O ATOM 121 CB LEU A 12 -0.430 -4.060 -8.951 1.00 0.00 C ATOM 122 CG LEU A 12 -0.805 -3.401 -10.279 1.00 0.00 C ATOM 123 CD1 LEU A 12 -1.674 -2.176 -10.041 1.00 0.00 C ATOM 124 CD2 LEU A 12 0.445 -3.026 -11.061 1.00 0.00 C ATOM 0 H LEU A 12 -1.796 -6.037 -9.589 1.00 0.00 H new ATOM 0 HA LEU A 12 1.015 -5.460 -9.703 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.319 -4.093 -8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.296 -3.423 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.377 -4.118 -10.869 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.931 -1.721 -10.997 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.587 -2.472 -9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.129 -1.456 -9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.158 -2.558 -12.003 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.044 -2.327 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.030 -3.923 -11.264 1.00 0.00 H new ATOM 136 N GLY A 13 -0.362 -6.313 -6.825 1.00 0.00 N ATOM 137 CA GLY A 13 -0.043 -6.776 -5.487 1.00 0.00 C ATOM 138 C GLY A 13 -0.212 -5.691 -4.442 1.00 0.00 C ATOM 139 O GLY A 13 -0.418 -4.520 -4.760 1.00 0.00 O ATOM 0 H GLY A 13 -1.357 -6.304 -7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.684 -7.621 -5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.985 -7.139 -5.467 1.00 0.00 H new ATOM 143 N PRO A 14 -0.126 -6.080 -3.161 1.00 0.00 N ATOM 144 CA PRO A 14 -0.269 -5.146 -2.040 1.00 0.00 C ATOM 145 C PRO A 14 0.911 -4.187 -1.930 1.00 0.00 C ATOM 146 O PRO A 14 2.057 -4.567 -2.171 1.00 0.00 O ATOM 147 CB PRO A 14 -0.326 -6.066 -0.818 1.00 0.00 C ATOM 148 CG PRO A 14 0.393 -7.301 -1.239 1.00 0.00 C ATOM 149 CD PRO A 14 0.117 -7.460 -2.709 1.00 0.00 C ATOM 0 HA PRO A 14 -1.145 -4.507 -2.151 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.152 -5.605 0.047 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.356 -6.285 -0.535 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.463 -7.213 -1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.041 -8.168 -0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.962 -7.911 -3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.747 -8.100 -2.889 1.00 0.00 H new ATOM 157 N LEU A 15 0.623 -2.943 -1.564 1.00 0.00 N ATOM 158 CA LEU A 15 1.662 -1.928 -1.422 1.00 0.00 C ATOM 159 C LEU A 15 2.937 -2.531 -0.841 1.00 0.00 C ATOM 160 O LEU A 15 2.914 -3.561 -0.166 1.00 0.00 O ATOM 161 CB LEU A 15 1.170 -0.788 -0.528 1.00 0.00 C ATOM 162 CG LEU A 15 0.198 0.200 -1.174 1.00 0.00 C ATOM 163 CD1 LEU A 15 -0.703 0.827 -0.121 1.00 0.00 C ATOM 164 CD2 LEU A 15 0.959 1.275 -1.936 1.00 0.00 C ATOM 0 H LEU A 15 -0.320 -2.613 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 15 1.888 -1.533 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.687 -1.222 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.037 -0.233 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.428 -0.344 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.388 1.527 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.274 0.046 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.093 1.358 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.252 1.969 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.610 1.816 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.562 0.810 -2.716 1.00 0.00 H new ATOM 176 N PRO A 16 4.076 -1.875 -1.106 1.00 0.00 N ATOM 177 CA PRO A 16 5.382 -2.328 -0.617 1.00 0.00 C ATOM 178 C PRO A 16 5.524 -2.163 0.892 1.00 0.00 C ATOM 179 O PRO A 16 4.536 -1.975 1.601 1.00 0.00 O ATOM 180 CB PRO A 16 6.370 -1.416 -1.349 1.00 0.00 C ATOM 181 CG PRO A 16 5.590 -0.186 -1.663 1.00 0.00 C ATOM 182 CD PRO A 16 4.178 -0.642 -1.904 1.00 0.00 C ATOM 0 HA PRO A 16 5.542 -3.390 -0.804 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.235 -1.188 -0.726 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.747 -1.888 -2.256 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.635 0.526 -0.839 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.993 0.318 -2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.454 0.106 -1.582 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.992 -0.831 -2.961 1.00 0.00 H new ATOM 190 N GLU A 17 6.760 -2.235 1.377 1.00 0.00 N ATOM 191 CA GLU A 17 7.029 -2.095 2.803 1.00 0.00 C ATOM 192 C GLU A 17 7.527 -0.689 3.127 1.00 0.00 C ATOM 193 O GLU A 17 7.539 -0.275 4.285 1.00 0.00 O ATOM 194 CB GLU A 17 8.062 -3.129 3.254 1.00 0.00 C ATOM 195 CG GLU A 17 8.820 -2.727 4.508 1.00 0.00 C ATOM 196 CD GLU A 17 7.933 -2.680 5.737 1.00 0.00 C ATOM 197 OE1 GLU A 17 6.812 -2.139 5.639 1.00 0.00 O ATOM 198 OE2 GLU A 17 8.360 -3.185 6.796 1.00 0.00 O ATOM 0 H GLU A 17 7.590 -2.389 0.804 1.00 0.00 H new ATOM 0 HA GLU A 17 6.096 -2.265 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.558 -4.079 3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.775 -3.294 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.633 -3.433 4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.274 -1.748 4.355 1.00 0.00 H new ATOM 205 N ASN A 18 7.937 0.040 2.094 1.00 0.00 N ATOM 206 CA ASN A 18 8.437 1.399 2.268 1.00 0.00 C ATOM 207 C ASN A 18 7.345 2.422 1.973 1.00 0.00 C ATOM 208 O ASN A 18 7.631 3.579 1.665 1.00 0.00 O ATOM 209 CB ASN A 18 9.640 1.643 1.354 1.00 0.00 C ATOM 210 CG ASN A 18 9.494 0.956 0.010 1.00 0.00 C ATOM 211 OD1 ASN A 18 9.230 -0.245 -0.061 1.00 0.00 O ATOM 212 ND2 ASN A 18 9.665 1.716 -1.065 1.00 0.00 N ATOM 0 H ASN A 18 7.933 -0.287 1.128 1.00 0.00 H new ATOM 0 HA ASN A 18 8.748 1.515 3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.764 2.715 1.199 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.545 1.285 1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.579 1.309 -1.996 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.883 2.707 -0.960 1.00 0.00 H new ATOM 219 N TRP A 19 6.093 1.988 2.069 1.00 0.00 N ATOM 220 CA TRP A 19 4.958 2.866 1.812 1.00 0.00 C ATOM 221 C TRP A 19 3.871 2.671 2.864 1.00 0.00 C ATOM 222 O TRP A 19 3.859 1.669 3.578 1.00 0.00 O ATOM 223 CB TRP A 19 4.388 2.604 0.418 1.00 0.00 C ATOM 224 CG TRP A 19 5.254 3.129 -0.687 1.00 0.00 C ATOM 225 CD1 TRP A 19 6.502 2.692 -1.028 1.00 0.00 C ATOM 226 CD2 TRP A 19 4.937 4.192 -1.592 1.00 0.00 C ATOM 227 NE1 TRP A 19 6.980 3.419 -2.092 1.00 0.00 N ATOM 228 CE2 TRP A 19 6.039 4.345 -2.457 1.00 0.00 C ATOM 229 CE3 TRP A 19 3.830 5.028 -1.759 1.00 0.00 C ATOM 230 CZ2 TRP A 19 6.063 5.300 -3.470 1.00 0.00 C ATOM 231 CZ3 TRP A 19 3.856 5.976 -2.764 1.00 0.00 C ATOM 232 CH2 TRP A 19 4.965 6.105 -3.610 1.00 0.00 C ATOM 0 H TRP A 19 5.839 1.033 2.323 1.00 0.00 H new ATOM 0 HA TRP A 19 5.309 3.897 1.864 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.252 1.531 0.285 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.401 3.061 0.345 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.035 1.893 -0.534 1.00 0.00 H new ATOM 0 HE1 TRP A 19 7.888 3.290 -2.538 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.969 4.935 -1.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 6.918 5.402 -4.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 3.006 6.629 -2.900 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.953 6.854 -4.388 1.00 0.00 H new ATOM 243 N GLU A 20 2.960 3.636 2.953 1.00 0.00 N ATOM 244 CA GLU A 20 1.870 3.568 3.919 1.00 0.00 C ATOM 245 C GLU A 20 0.691 4.427 3.469 1.00 0.00 C ATOM 246 O GLU A 20 0.786 5.652 3.416 1.00 0.00 O ATOM 247 CB GLU A 20 2.351 4.026 5.298 1.00 0.00 C ATOM 248 CG GLU A 20 1.613 3.366 6.450 1.00 0.00 C ATOM 249 CD GLU A 20 2.442 3.312 7.719 1.00 0.00 C ATOM 250 OE1 GLU A 20 2.417 4.299 8.485 1.00 0.00 O ATOM 251 OE2 GLU A 20 3.114 2.285 7.946 1.00 0.00 O ATOM 0 H GLU A 20 2.956 4.472 2.369 1.00 0.00 H new ATOM 0 HA GLU A 20 1.540 2.531 3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.416 3.814 5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.233 5.107 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.690 3.912 6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.329 2.354 6.162 1.00 0.00 H new ATOM 258 N MET A 21 -0.420 3.772 3.146 1.00 0.00 N ATOM 259 CA MET A 21 -1.618 4.475 2.702 1.00 0.00 C ATOM 260 C MET A 21 -2.501 4.849 3.888 1.00 0.00 C ATOM 261 O MET A 21 -2.962 3.981 4.629 1.00 0.00 O ATOM 262 CB MET A 21 -2.407 3.610 1.717 1.00 0.00 C ATOM 263 CG MET A 21 -3.636 4.301 1.149 1.00 0.00 C ATOM 264 SD MET A 21 -4.280 3.478 -0.320 1.00 0.00 S ATOM 265 CE MET A 21 -5.226 2.151 0.422 1.00 0.00 C ATOM 0 H MET A 21 -0.515 2.757 3.183 1.00 0.00 H new ATOM 0 HA MET A 21 -1.306 5.392 2.201 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.752 3.320 0.896 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.715 2.693 2.218 1.00 0.00 H new ATOM 0 HG2 MET A 21 -4.414 4.335 1.912 1.00 0.00 H new ATOM 0 HG3 MET A 21 -3.386 5.333 0.902 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.687 1.551 -0.362 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.565 1.523 1.019 1.00 0.00 H new ATOM 0 HE3 MET A 21 -6.002 2.571 1.061 1.00 0.00 H new ATOM 275 N ALA A 22 -2.733 6.146 4.062 1.00 0.00 N ATOM 276 CA ALA A 22 -3.562 6.633 5.157 1.00 0.00 C ATOM 277 C ALA A 22 -4.389 7.840 4.725 1.00 0.00 C ATOM 278 O ALA A 22 -4.065 8.507 3.742 1.00 0.00 O ATOM 279 CB ALA A 22 -2.696 6.987 6.357 1.00 0.00 C ATOM 0 H ALA A 22 -2.358 6.878 3.459 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.250 5.837 5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.328 7.349 7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.153 6.101 6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.985 7.764 6.076 1.00 0.00 H new ATOM 285 N TYR A 23 -5.458 8.114 5.464 1.00 0.00 N ATOM 286 CA TYR A 23 -6.333 9.238 5.155 1.00 0.00 C ATOM 287 C TYR A 23 -6.097 10.394 6.122 1.00 0.00 C ATOM 288 O TYR A 23 -5.906 10.188 7.321 1.00 0.00 O ATOM 289 CB TYR A 23 -7.798 8.802 5.212 1.00 0.00 C ATOM 290 CG TYR A 23 -8.113 7.619 4.325 1.00 0.00 C ATOM 291 CD1 TYR A 23 -7.498 6.390 4.528 1.00 0.00 C ATOM 292 CD2 TYR A 23 -9.024 7.731 3.282 1.00 0.00 C ATOM 293 CE1 TYR A 23 -7.781 5.307 3.719 1.00 0.00 C ATOM 294 CE2 TYR A 23 -9.315 6.653 2.469 1.00 0.00 C ATOM 295 CZ TYR A 23 -8.691 5.443 2.691 1.00 0.00 C ATOM 296 OH TYR A 23 -8.977 4.367 1.883 1.00 0.00 O ATOM 0 H TYR A 23 -5.739 7.573 6.282 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.101 9.579 4.146 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.054 8.552 6.242 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.430 9.641 4.922 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.786 6.279 5.333 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.513 8.677 3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.293 4.359 3.890 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.027 6.757 1.664 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.638 4.630 1.209 1.00 0.00 H new ATOM 306 N THR A 24 -6.111 11.613 5.592 1.00 0.00 N ATOM 307 CA THR A 24 -5.899 12.804 6.406 1.00 0.00 C ATOM 308 C THR A 24 -7.125 13.114 7.257 1.00 0.00 C ATOM 309 O THR A 24 -8.232 12.676 6.948 1.00 0.00 O ATOM 310 CB THR A 24 -5.570 14.029 5.533 1.00 0.00 C ATOM 311 OG1 THR A 24 -6.693 14.359 4.708 1.00 0.00 O ATOM 312 CG2 THR A 24 -4.354 13.761 4.659 1.00 0.00 C ATOM 0 H THR A 24 -6.267 11.802 4.602 1.00 0.00 H new ATOM 0 HA THR A 24 -5.052 12.594 7.059 1.00 0.00 H new ATOM 0 HB THR A 24 -5.346 14.867 6.193 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.476 15.140 4.157 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.141 14.641 4.052 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.494 13.540 5.291 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.554 12.910 4.008 1.00 0.00 H new ATOM 320 N GLU A 25 -6.918 13.873 8.329 1.00 0.00 N ATOM 321 CA GLU A 25 -8.009 14.241 9.224 1.00 0.00 C ATOM 322 C GLU A 25 -9.286 14.523 8.438 1.00 0.00 C ATOM 323 O GLU A 25 -10.342 13.963 8.729 1.00 0.00 O ATOM 324 CB GLU A 25 -7.625 15.469 10.052 1.00 0.00 C ATOM 325 CG GLU A 25 -6.413 15.249 10.941 1.00 0.00 C ATOM 326 CD GLU A 25 -6.726 14.396 12.155 1.00 0.00 C ATOM 327 OE1 GLU A 25 -7.219 14.950 13.159 1.00 0.00 O ATOM 328 OE2 GLU A 25 -6.477 13.173 12.100 1.00 0.00 O ATOM 0 H GLU A 25 -6.007 14.244 8.598 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.194 13.402 9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.425 16.302 9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.473 15.758 10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.623 14.772 10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.028 16.214 11.270 1.00 0.00 H new ATOM 335 N ASN A 26 -9.180 15.396 7.442 1.00 0.00 N ATOM 336 CA ASN A 26 -10.327 15.754 6.614 1.00 0.00 C ATOM 337 C ASN A 26 -11.002 14.507 6.051 1.00 0.00 C ATOM 338 O ASN A 26 -12.226 14.442 5.953 1.00 0.00 O ATOM 339 CB ASN A 26 -9.890 16.672 5.470 1.00 0.00 C ATOM 340 CG ASN A 26 -10.989 17.626 5.043 1.00 0.00 C ATOM 341 OD1 ASN A 26 -11.827 18.026 5.850 1.00 0.00 O ATOM 342 ND2 ASN A 26 -10.989 17.994 3.767 1.00 0.00 N ATOM 0 H ASN A 26 -8.312 15.869 7.188 1.00 0.00 H new ATOM 0 HA ASN A 26 -11.045 16.282 7.241 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -9.016 17.244 5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -9.587 16.066 4.616 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -11.704 18.634 3.421 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -10.274 17.637 3.133 1.00 0.00 H new ATOM 349 N GLY A 27 -10.193 13.518 5.683 1.00 0.00 N ATOM 350 CA GLY A 27 -10.730 12.286 5.135 1.00 0.00 C ATOM 351 C GLY A 27 -10.261 12.030 3.716 1.00 0.00 C ATOM 352 O GLY A 27 -10.966 11.402 2.927 1.00 0.00 O ATOM 0 H GLY A 27 -9.176 13.548 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.433 11.450 5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.819 12.328 5.152 1.00 0.00 H new ATOM 356 N GLU A 28 -9.068 12.518 3.391 1.00 0.00 N ATOM 357 CA GLU A 28 -8.508 12.340 2.057 1.00 0.00 C ATOM 358 C GLU A 28 -7.468 11.224 2.048 1.00 0.00 C ATOM 359 O GLU A 28 -6.494 11.260 2.799 1.00 0.00 O ATOM 360 CB GLU A 28 -7.876 13.645 1.567 1.00 0.00 C ATOM 361 CG GLU A 28 -8.830 14.827 1.582 1.00 0.00 C ATOM 362 CD GLU A 28 -9.595 14.976 0.281 1.00 0.00 C ATOM 363 OE1 GLU A 28 -8.983 14.785 -0.791 1.00 0.00 O ATOM 364 OE2 GLU A 28 -10.804 15.283 0.335 1.00 0.00 O ATOM 0 H GLU A 28 -8.471 13.039 4.033 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.319 12.062 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.013 13.878 2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.506 13.501 0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.537 14.708 2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.268 15.741 1.775 1.00 0.00 H new ATOM 371 N VAL A 29 -7.683 10.230 1.191 1.00 0.00 N ATOM 372 CA VAL A 29 -6.766 9.102 1.082 1.00 0.00 C ATOM 373 C VAL A 29 -5.469 9.513 0.394 1.00 0.00 C ATOM 374 O VAL A 29 -5.484 10.033 -0.722 1.00 0.00 O ATOM 375 CB VAL A 29 -7.401 7.935 0.302 1.00 0.00 C ATOM 376 CG1 VAL A 29 -7.418 8.236 -1.189 1.00 0.00 C ATOM 377 CG2 VAL A 29 -6.657 6.639 0.585 1.00 0.00 C ATOM 0 H VAL A 29 -8.485 10.184 0.562 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.547 8.773 2.098 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.432 7.815 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.870 7.401 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.999 9.140 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.397 8.383 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.119 5.825 0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.616 6.743 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.703 6.419 1.651 1.00 0.00 H new ATOM 387 N TYR A 30 -4.348 9.276 1.066 1.00 0.00 N ATOM 388 CA TYR A 30 -3.042 9.623 0.521 1.00 0.00 C ATOM 389 C TYR A 30 -2.063 8.463 0.671 1.00 0.00 C ATOM 390 O TYR A 30 -2.342 7.485 1.366 1.00 0.00 O ATOM 391 CB TYR A 30 -2.488 10.866 1.219 1.00 0.00 C ATOM 392 CG TYR A 30 -2.286 10.685 2.707 1.00 0.00 C ATOM 393 CD1 TYR A 30 -1.089 10.191 3.210 1.00 0.00 C ATOM 394 CD2 TYR A 30 -3.292 11.007 3.609 1.00 0.00 C ATOM 395 CE1 TYR A 30 -0.900 10.023 4.568 1.00 0.00 C ATOM 396 CE2 TYR A 30 -3.112 10.845 4.968 1.00 0.00 C ATOM 397 CZ TYR A 30 -1.914 10.352 5.444 1.00 0.00 C ATOM 398 OH TYR A 30 -1.731 10.187 6.797 1.00 0.00 O ATOM 0 H TYR A 30 -4.318 8.845 1.990 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.165 9.836 -0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.536 11.135 0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.169 11.700 1.052 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.292 9.934 2.528 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.232 11.391 3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.036 9.636 4.942 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.904 11.103 5.655 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.541 10.467 7.273 1.00 0.00 H new ATOM 408 N PHE A 31 -0.913 8.578 0.014 1.00 0.00 N ATOM 409 CA PHE A 31 0.109 7.539 0.073 1.00 0.00 C ATOM 410 C PHE A 31 1.419 8.096 0.623 1.00 0.00 C ATOM 411 O PHE A 31 1.957 9.073 0.102 1.00 0.00 O ATOM 412 CB PHE A 31 0.339 6.941 -1.316 1.00 0.00 C ATOM 413 CG PHE A 31 -0.840 6.170 -1.839 1.00 0.00 C ATOM 414 CD1 PHE A 31 -1.861 6.816 -2.518 1.00 0.00 C ATOM 415 CD2 PHE A 31 -0.926 4.800 -1.653 1.00 0.00 C ATOM 416 CE1 PHE A 31 -2.946 6.109 -3.000 1.00 0.00 C ATOM 417 CE2 PHE A 31 -2.009 4.088 -2.133 1.00 0.00 C ATOM 418 CZ PHE A 31 -3.020 4.744 -2.808 1.00 0.00 C ATOM 0 H PHE A 31 -0.666 9.380 -0.565 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.243 6.756 0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.577 7.744 -2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.207 6.283 -1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.808 7.884 -2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.138 4.282 -1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.736 6.624 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.065 3.020 -1.981 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.867 4.190 -3.185 1.00 0.00 H new ATOM 428 N ILE A 32 1.925 7.467 1.678 1.00 0.00 N ATOM 429 CA ILE A 32 3.172 7.899 2.298 1.00 0.00 C ATOM 430 C ILE A 32 4.360 7.119 1.745 1.00 0.00 C ATOM 431 O ILE A 32 4.415 5.894 1.849 1.00 0.00 O ATOM 432 CB ILE A 32 3.128 7.728 3.828 1.00 0.00 C ATOM 433 CG1 ILE A 32 2.391 8.903 4.473 1.00 0.00 C ATOM 434 CG2 ILE A 32 4.538 7.608 4.388 1.00 0.00 C ATOM 435 CD1 ILE A 32 3.292 10.069 4.814 1.00 0.00 C ATOM 0 H ILE A 32 1.491 6.657 2.121 1.00 0.00 H new ATOM 0 HA ILE A 32 3.293 8.956 2.061 1.00 0.00 H new ATOM 0 HB ILE A 32 2.586 6.812 4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.608 9.245 3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.898 8.557 5.382 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.491 7.488 5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.032 6.742 3.948 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.103 8.509 4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.701 10.865 5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.060 9.742 5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.765 10.441 3.905 1.00 0.00 H new ATOM 447 N ASP A 33 5.310 7.838 1.157 1.00 0.00 N ATOM 448 CA ASP A 33 6.500 7.215 0.589 1.00 0.00 C ATOM 449 C ASP A 33 7.717 7.458 1.476 1.00 0.00 C ATOM 450 O ASP A 33 8.313 8.535 1.447 1.00 0.00 O ATOM 451 CB ASP A 33 6.762 7.754 -0.818 1.00 0.00 C ATOM 452 CG ASP A 33 8.056 7.229 -1.408 1.00 0.00 C ATOM 453 OD1 ASP A 33 9.084 7.250 -0.698 1.00 0.00 O ATOM 454 OD2 ASP A 33 8.041 6.795 -2.578 1.00 0.00 O ATOM 0 H ASP A 33 5.279 8.853 1.061 1.00 0.00 H new ATOM 0 HA ASP A 33 6.325 6.141 0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.932 7.480 -1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.796 8.843 -0.786 1.00 0.00 H new ATOM 459 N HIS A 34 8.079 6.451 2.264 1.00 0.00 N ATOM 460 CA HIS A 34 9.225 6.557 3.160 1.00 0.00 C ATOM 461 C HIS A 34 10.533 6.530 2.375 1.00 0.00 C ATOM 462 O HIS A 34 11.409 7.370 2.581 1.00 0.00 O ATOM 463 CB HIS A 34 9.207 5.419 4.182 1.00 0.00 C ATOM 464 CG HIS A 34 8.013 5.444 5.085 1.00 0.00 C ATOM 465 ND1 HIS A 34 8.084 5.797 6.417 1.00 0.00 N ATOM 466 CD2 HIS A 34 6.712 5.160 4.842 1.00 0.00 C ATOM 467 CE1 HIS A 34 6.879 5.726 6.953 1.00 0.00 C ATOM 468 NE2 HIS A 34 6.028 5.343 6.018 1.00 0.00 N ATOM 0 H HIS A 34 7.596 5.553 2.300 1.00 0.00 H new ATOM 0 HA HIS A 34 9.157 7.509 3.686 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.232 4.466 3.653 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.112 5.471 4.788 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.290 4.847 3.898 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.631 5.944 7.981 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.026 5.206 6.149 1.00 0.00 H new ATOM 476 N ASN A 35 10.658 5.560 1.475 1.00 0.00 N ATOM 477 CA ASN A 35 11.860 5.423 0.660 1.00 0.00 C ATOM 478 C ASN A 35 12.414 6.792 0.275 1.00 0.00 C ATOM 479 O ASN A 35 13.623 6.962 0.115 1.00 0.00 O ATOM 480 CB ASN A 35 11.557 4.609 -0.599 1.00 0.00 C ATOM 481 CG ASN A 35 10.299 5.080 -1.303 1.00 0.00 C ATOM 482 OD1 ASN A 35 9.146 4.645 -0.808 1.00 0.00 O flip ATOM 483 ND2 ASN A 35 10.363 5.826 -2.280 1.00 0.00 N flip ATOM 0 H ASN A 35 9.942 4.857 1.292 1.00 0.00 H new ATOM 0 HA ASN A 35 12.612 4.899 1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.401 4.678 -1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.449 3.558 -0.331 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.271 6.136 -2.627 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.508 6.134 -2.743 1.00 0.00 H new ATOM 490 N THR A 36 11.521 7.765 0.126 1.00 0.00 N ATOM 491 CA THR A 36 11.919 9.118 -0.241 1.00 0.00 C ATOM 492 C THR A 36 11.354 10.142 0.736 1.00 0.00 C ATOM 493 O THR A 36 11.704 11.321 0.688 1.00 0.00 O ATOM 494 CB THR A 36 11.453 9.473 -1.666 1.00 0.00 C ATOM 495 OG1 THR A 36 10.036 9.299 -1.776 1.00 0.00 O ATOM 496 CG2 THR A 36 12.158 8.606 -2.698 1.00 0.00 C ATOM 0 H THR A 36 10.517 7.641 0.254 1.00 0.00 H new ATOM 0 HA THR A 36 13.008 9.148 -0.204 1.00 0.00 H new ATOM 0 HB THR A 36 11.706 10.516 -1.858 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.716 8.743 -1.035 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.813 8.875 -3.696 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.234 8.764 -2.632 1.00 0.00 H new ATOM 0 HG23 THR A 36 11.933 7.557 -2.507 1.00 0.00 H new ATOM 504 N LYS A 37 10.477 9.685 1.624 1.00 0.00 N ATOM 505 CA LYS A 37 9.864 10.560 2.615 1.00 0.00 C ATOM 506 C LYS A 37 8.999 11.622 1.943 1.00 0.00 C ATOM 507 O LYS A 37 9.047 12.798 2.305 1.00 0.00 O ATOM 508 CB LYS A 37 10.942 11.232 3.469 1.00 0.00 C ATOM 509 CG LYS A 37 11.841 10.248 4.197 1.00 0.00 C ATOM 510 CD LYS A 37 13.049 9.870 3.357 1.00 0.00 C ATOM 511 CE LYS A 37 14.143 9.238 4.205 1.00 0.00 C ATOM 512 NZ LYS A 37 14.779 10.229 5.117 1.00 0.00 N ATOM 0 H LYS A 37 10.175 8.712 1.677 1.00 0.00 H new ATOM 0 HA LYS A 37 9.228 9.950 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.555 11.868 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.462 11.882 4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.174 10.685 5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.274 9.351 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.746 9.174 2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.440 10.758 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.722 8.422 4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.902 8.804 3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.694 9.860 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.929 11.123 4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.159 10.396 5.935 1.00 0.00 H new ATOM 526 N THR A 38 8.206 11.199 0.963 1.00 0.00 N ATOM 527 CA THR A 38 7.330 12.113 0.241 1.00 0.00 C ATOM 528 C THR A 38 5.883 11.636 0.284 1.00 0.00 C ATOM 529 O THR A 38 5.613 10.453 0.492 1.00 0.00 O ATOM 530 CB THR A 38 7.766 12.265 -1.229 1.00 0.00 C ATOM 531 OG1 THR A 38 9.187 12.130 -1.335 1.00 0.00 O ATOM 532 CG2 THR A 38 7.336 13.614 -1.784 1.00 0.00 C ATOM 0 H THR A 38 8.153 10.229 0.651 1.00 0.00 H new ATOM 0 HA THR A 38 7.405 13.081 0.736 1.00 0.00 H new ATOM 0 HB THR A 38 7.283 11.480 -1.811 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.415 11.190 -1.493 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.655 13.698 -2.823 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.251 13.701 -1.729 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.794 14.411 -1.198 1.00 0.00 H new ATOM 540 N THR A 39 4.953 12.565 0.084 1.00 0.00 N ATOM 541 CA THR A 39 3.532 12.240 0.101 1.00 0.00 C ATOM 542 C THR A 39 2.891 12.506 -1.257 1.00 0.00 C ATOM 543 O THR A 39 3.170 13.519 -1.897 1.00 0.00 O ATOM 544 CB THR A 39 2.783 13.048 1.176 1.00 0.00 C ATOM 545 OG1 THR A 39 3.172 14.425 1.114 1.00 0.00 O ATOM 546 CG2 THR A 39 3.070 12.498 2.565 1.00 0.00 C ATOM 0 H THR A 39 5.159 13.549 -0.092 1.00 0.00 H new ATOM 0 HA THR A 39 3.454 11.178 0.336 1.00 0.00 H new ATOM 0 HB THR A 39 1.714 12.963 0.982 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.690 14.932 1.800 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.530 13.085 3.308 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.746 11.459 2.619 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.140 12.556 2.765 1.00 0.00 H new ATOM 554 N SER A 40 2.032 11.589 -1.690 1.00 0.00 N ATOM 555 CA SER A 40 1.353 11.724 -2.974 1.00 0.00 C ATOM 556 C SER A 40 -0.117 11.333 -2.855 1.00 0.00 C ATOM 557 O SER A 40 -0.517 10.665 -1.902 1.00 0.00 O ATOM 558 CB SER A 40 2.040 10.856 -4.031 1.00 0.00 C ATOM 559 OG SER A 40 1.902 11.422 -5.323 1.00 0.00 O ATOM 0 H SER A 40 1.790 10.745 -1.171 1.00 0.00 H new ATOM 0 HA SER A 40 1.409 12.769 -3.279 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.097 10.750 -3.788 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.609 9.855 -4.021 1.00 0.00 H new ATOM 0 HG SER A 40 2.351 10.850 -5.980 1.00 0.00 H new ATOM 565 N TRP A 41 -0.914 11.755 -3.829 1.00 0.00 N ATOM 566 CA TRP A 41 -2.341 11.450 -3.835 1.00 0.00 C ATOM 567 C TRP A 41 -2.623 10.181 -4.631 1.00 0.00 C ATOM 568 O TRP A 41 -3.567 9.447 -4.335 1.00 0.00 O ATOM 569 CB TRP A 41 -3.131 12.621 -4.421 1.00 0.00 C ATOM 570 CG TRP A 41 -3.089 13.852 -3.568 1.00 0.00 C ATOM 571 CD1 TRP A 41 -2.519 15.051 -3.888 1.00 0.00 C ATOM 572 CD2 TRP A 41 -3.636 14.004 -2.254 1.00 0.00 C ATOM 573 NE1 TRP A 41 -2.679 15.940 -2.852 1.00 0.00 N ATOM 574 CE2 TRP A 41 -3.362 15.322 -1.838 1.00 0.00 C ATOM 575 CE3 TRP A 41 -4.333 13.156 -1.389 1.00 0.00 C ATOM 576 CZ2 TRP A 41 -3.760 15.808 -0.596 1.00 0.00 C ATOM 577 CZ3 TRP A 41 -4.727 13.640 -0.156 1.00 0.00 C ATOM 578 CH2 TRP A 41 -4.441 14.956 0.231 1.00 0.00 C ATOM 0 H TRP A 41 -0.598 12.309 -4.625 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.657 11.287 -2.805 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.736 12.858 -5.409 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.169 12.318 -4.558 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.016 15.269 -4.819 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.344 16.903 -2.840 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.560 12.141 -1.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.539 16.822 -0.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.265 12.993 0.521 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.764 15.305 1.201 1.00 0.00 H new ATOM 589 N LEU A 42 -1.799 9.927 -5.643 1.00 0.00 N ATOM 590 CA LEU A 42 -1.960 8.744 -6.482 1.00 0.00 C ATOM 591 C LEU A 42 -1.272 7.535 -5.857 1.00 0.00 C ATOM 592 O LEU A 42 -0.534 7.664 -4.881 1.00 0.00 O ATOM 593 CB LEU A 42 -1.392 9.005 -7.878 1.00 0.00 C ATOM 594 CG LEU A 42 -1.787 10.331 -8.527 1.00 0.00 C ATOM 595 CD1 LEU A 42 -0.800 11.425 -8.151 1.00 0.00 C ATOM 596 CD2 LEU A 42 -1.870 10.181 -10.040 1.00 0.00 C ATOM 0 H LEU A 42 -1.014 10.524 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.025 8.529 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.304 8.962 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.708 8.194 -8.534 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.771 10.616 -8.156 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.098 12.362 -8.623 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.791 11.551 -7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.197 11.148 -8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.152 11.135 -10.485 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.900 9.872 -10.429 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.617 9.428 -10.291 1.00 0.00 H new ATOM 608 N ASP A 43 -1.517 6.361 -6.428 1.00 0.00 N ATOM 609 CA ASP A 43 -0.919 5.128 -5.930 1.00 0.00 C ATOM 610 C ASP A 43 0.367 4.805 -6.684 1.00 0.00 C ATOM 611 O ASP A 43 0.485 5.036 -7.887 1.00 0.00 O ATOM 612 CB ASP A 43 -1.906 3.967 -6.059 1.00 0.00 C ATOM 613 CG ASP A 43 -1.211 2.635 -6.255 1.00 0.00 C ATOM 614 OD1 ASP A 43 -0.861 2.311 -7.410 1.00 0.00 O ATOM 615 OD2 ASP A 43 -1.016 1.915 -5.253 1.00 0.00 O ATOM 0 H ASP A 43 -2.126 6.237 -7.237 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.676 5.271 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.527 3.921 -5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.573 4.153 -6.901 1.00 0.00 H new ATOM 620 N PRO A 44 1.356 4.258 -5.961 1.00 0.00 N ATOM 621 CA PRO A 44 2.651 3.892 -6.541 1.00 0.00 C ATOM 622 C PRO A 44 2.547 2.698 -7.484 1.00 0.00 C ATOM 623 O PRO A 44 3.138 2.695 -8.565 1.00 0.00 O ATOM 624 CB PRO A 44 3.500 3.535 -5.318 1.00 0.00 C ATOM 625 CG PRO A 44 2.514 3.121 -4.281 1.00 0.00 C ATOM 626 CD PRO A 44 1.285 3.954 -4.522 1.00 0.00 C ATOM 0 HA PRO A 44 3.068 4.697 -7.146 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.200 2.730 -5.543 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.092 4.387 -4.984 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.287 2.058 -4.361 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.908 3.288 -3.279 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.375 3.409 -4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.290 4.862 -3.919 1.00 0.00 H new ATOM 634 N ARG A 45 1.793 1.685 -7.069 1.00 0.00 N ATOM 635 CA ARG A 45 1.613 0.485 -7.877 1.00 0.00 C ATOM 636 C ARG A 45 1.250 0.847 -9.314 1.00 0.00 C ATOM 637 O ARG A 45 1.552 0.102 -10.247 1.00 0.00 O ATOM 638 CB ARG A 45 0.524 -0.404 -7.272 1.00 0.00 C ATOM 639 CG ARG A 45 0.980 -1.176 -6.046 1.00 0.00 C ATOM 640 CD ARG A 45 -0.175 -1.922 -5.395 1.00 0.00 C ATOM 641 NE ARG A 45 -1.265 -1.024 -5.022 1.00 0.00 N ATOM 642 CZ ARG A 45 -2.525 -1.417 -4.882 1.00 0.00 C ATOM 643 NH1 ARG A 45 -2.854 -2.686 -5.083 1.00 0.00 N ATOM 644 NH2 ARG A 45 -3.461 -0.541 -4.540 1.00 0.00 N ATOM 0 H ARG A 45 1.297 1.672 -6.178 1.00 0.00 H new ATOM 0 HA ARG A 45 2.556 -0.062 -7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.331 0.216 -7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.181 -1.110 -8.029 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.758 -1.885 -6.330 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.422 -0.488 -5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.549 -2.681 -6.082 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.184 -2.444 -4.508 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.046 -0.041 -4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.138 -3.363 -5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.823 -2.985 -4.975 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.213 0.436 -4.384 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.429 -0.845 -4.433 1.00 0.00 H new ATOM 658 N CYS A 46 0.600 1.993 -9.484 1.00 0.00 N ATOM 659 CA CYS A 46 0.194 2.453 -10.807 1.00 0.00 C ATOM 660 C CYS A 46 1.406 2.873 -11.632 1.00 0.00 C ATOM 661 O CYS A 46 1.433 2.695 -12.851 1.00 0.00 O ATOM 662 CB CYS A 46 -0.785 3.621 -10.686 1.00 0.00 C ATOM 663 SG CYS A 46 -1.885 3.814 -12.108 1.00 0.00 S ATOM 0 H CYS A 46 0.343 2.621 -8.722 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.301 1.626 -11.316 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.389 3.483 -9.789 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.219 4.543 -10.550 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.676 4.826 -11.910 1.00 0.00 H new ATOM 669 N LEU A 47 2.407 3.432 -10.961 1.00 0.00 N ATOM 670 CA LEU A 47 3.622 3.879 -11.632 1.00 0.00 C ATOM 671 C LEU A 47 4.577 2.713 -11.865 1.00 0.00 C ATOM 672 O LEU A 47 4.383 1.622 -11.329 1.00 0.00 O ATOM 673 CB LEU A 47 4.316 4.963 -10.805 1.00 0.00 C ATOM 674 CG LEU A 47 3.555 6.281 -10.654 1.00 0.00 C ATOM 675 CD1 LEU A 47 3.932 6.968 -9.350 1.00 0.00 C ATOM 676 CD2 LEU A 47 3.831 7.195 -11.839 1.00 0.00 C ATOM 0 H LEU A 47 2.401 3.586 -9.953 1.00 0.00 H new ATOM 0 HA LEU A 47 3.340 4.293 -12.600 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.512 4.563 -9.810 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.284 5.175 -11.259 1.00 0.00 H new ATOM 0 HG LEU A 47 2.488 6.062 -10.631 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.381 7.904 -9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.683 6.318 -8.511 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.002 7.175 -9.344 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.281 8.128 -11.715 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.899 7.407 -11.894 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.511 6.705 -12.759 1.00 0.00 H new ATOM 688 N ASN A 48 5.611 2.951 -12.666 1.00 0.00 N ATOM 689 CA ASN A 48 6.597 1.920 -12.968 1.00 0.00 C ATOM 690 C ASN A 48 7.837 2.081 -12.094 1.00 0.00 C ATOM 691 O ASN A 48 8.262 3.199 -11.799 1.00 0.00 O ATOM 692 CB ASN A 48 6.990 1.978 -14.446 1.00 0.00 C ATOM 693 CG ASN A 48 8.231 1.161 -14.746 1.00 0.00 C ATOM 694 OD1 ASN A 48 8.244 -0.057 -14.571 1.00 0.00 O ATOM 695 ND2 ASN A 48 9.284 1.830 -15.202 1.00 0.00 N ATOM 0 H ASN A 48 5.787 3.849 -13.117 1.00 0.00 H new ATOM 0 HA ASN A 48 6.148 0.950 -12.756 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.162 1.613 -15.054 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.163 3.015 -14.733 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.147 1.334 -15.422 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.229 2.840 -15.332 1.00 0.00 H new ATOM 702 N LYS A 49 8.415 0.958 -11.684 1.00 0.00 N ATOM 703 CA LYS A 49 9.608 0.972 -10.845 1.00 0.00 C ATOM 704 C LYS A 49 10.852 0.638 -11.663 1.00 0.00 C ATOM 705 O LYS A 49 11.966 1.006 -11.292 1.00 0.00 O ATOM 706 CB LYS A 49 9.459 -0.025 -9.694 1.00 0.00 C ATOM 707 CG LYS A 49 10.562 0.078 -8.654 1.00 0.00 C ATOM 708 CD LYS A 49 10.415 -0.985 -7.579 1.00 0.00 C ATOM 709 CE LYS A 49 10.942 -2.332 -8.051 1.00 0.00 C ATOM 710 NZ LYS A 49 9.890 -3.129 -8.739 1.00 0.00 N ATOM 0 H LYS A 49 8.077 0.025 -11.919 1.00 0.00 H new ATOM 0 HA LYS A 49 9.722 1.976 -10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.497 0.135 -9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.447 -1.037 -10.100 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.532 -0.026 -9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.540 1.066 -8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.954 -0.676 -6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.365 -1.081 -7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.781 -2.176 -8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.322 -2.893 -7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.768 -4.039 -8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.992 -2.605 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.174 -3.301 -9.725 1.00 0.00 H new ATOM 724 N GLN A 50 10.653 -0.059 -12.777 1.00 0.00 N ATOM 725 CA GLN A 50 11.759 -0.441 -13.647 1.00 0.00 C ATOM 726 C GLN A 50 11.264 -0.743 -15.057 1.00 0.00 C ATOM 727 O GLN A 50 10.284 -1.466 -15.239 1.00 0.00 O ATOM 728 CB GLN A 50 12.486 -1.661 -13.077 1.00 0.00 C ATOM 729 CG GLN A 50 11.652 -2.932 -13.100 1.00 0.00 C ATOM 730 CD GLN A 50 12.425 -4.145 -12.620 1.00 0.00 C ATOM 731 OE1 GLN A 50 13.245 -4.051 -11.707 1.00 0.00 O ATOM 732 NE2 GLN A 50 12.165 -5.293 -13.234 1.00 0.00 N ATOM 0 H GLN A 50 9.736 -0.371 -13.098 1.00 0.00 H new ATOM 0 HA GLN A 50 12.454 0.397 -13.698 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.401 -1.827 -13.645 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.783 -1.450 -12.050 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.771 -2.796 -12.473 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.296 -3.111 -14.115 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.477 -5.325 -13.986 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.653 -6.143 -12.953 1.00 0.00 H new ATOM 741 N GLN A 51 11.946 -0.185 -16.051 1.00 0.00 N ATOM 742 CA GLN A 51 11.574 -0.394 -17.445 1.00 0.00 C ATOM 743 C GLN A 51 12.810 -0.618 -18.311 1.00 0.00 C ATOM 744 O GLN A 51 13.860 -0.019 -18.078 1.00 0.00 O ATOM 745 CB GLN A 51 10.780 0.804 -17.968 1.00 0.00 C ATOM 746 CG GLN A 51 10.535 0.764 -19.468 1.00 0.00 C ATOM 747 CD GLN A 51 11.638 1.441 -20.258 1.00 0.00 C ATOM 748 OE1 GLN A 51 12.594 1.967 -19.686 1.00 0.00 O ATOM 749 NE2 GLN A 51 11.512 1.431 -21.580 1.00 0.00 N ATOM 0 H GLN A 51 12.759 0.416 -15.917 1.00 0.00 H new ATOM 0 HA GLN A 51 10.949 -1.286 -17.498 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.820 0.846 -17.453 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.316 1.720 -17.720 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.447 -0.274 -19.790 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.584 1.249 -19.690 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.703 0.984 -22.012 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.224 1.871 -22.163 1.00 0.00 H new ATOM 758 N SER A 52 12.677 -1.484 -19.311 1.00 0.00 N ATOM 759 CA SER A 52 13.784 -1.789 -20.209 1.00 0.00 C ATOM 760 C SER A 52 14.504 -0.515 -20.637 1.00 0.00 C ATOM 761 O SER A 52 14.002 0.248 -21.462 1.00 0.00 O ATOM 762 CB SER A 52 13.276 -2.541 -21.441 1.00 0.00 C ATOM 763 OG SER A 52 12.579 -3.718 -21.070 1.00 0.00 O ATOM 0 H SER A 52 11.814 -1.986 -19.519 1.00 0.00 H new ATOM 0 HA SER A 52 14.491 -2.421 -19.672 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.619 -1.893 -22.021 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.117 -2.800 -22.085 1.00 0.00 H new ATOM 0 HG SER A 52 12.263 -4.179 -21.875 1.00 0.00 H new ATOM 769 N GLY A 53 15.685 -0.290 -20.070 1.00 0.00 N ATOM 770 CA GLY A 53 16.456 0.893 -20.405 1.00 0.00 C ATOM 771 C GLY A 53 17.736 0.998 -19.600 1.00 0.00 C ATOM 772 O GLY A 53 18.239 0.011 -19.061 1.00 0.00 O ATOM 0 H GLY A 53 16.122 -0.906 -19.384 1.00 0.00 H new ATOM 0 HA2 GLY A 53 16.699 0.876 -21.467 1.00 0.00 H new ATOM 0 HA3 GLY A 53 15.848 1.781 -20.232 1.00 0.00 H new ATOM 776 N PRO A 54 18.286 2.218 -19.511 1.00 0.00 N ATOM 777 CA PRO A 54 19.523 2.477 -18.768 1.00 0.00 C ATOM 778 C PRO A 54 19.333 2.346 -17.261 1.00 0.00 C ATOM 779 O PRO A 54 18.931 3.297 -16.592 1.00 0.00 O ATOM 780 CB PRO A 54 19.864 3.922 -19.141 1.00 0.00 C ATOM 781 CG PRO A 54 18.558 4.538 -19.505 1.00 0.00 C ATOM 782 CD PRO A 54 17.742 3.439 -20.128 1.00 0.00 C ATOM 0 HA PRO A 54 20.306 1.761 -19.018 1.00 0.00 H new ATOM 0 HB2 PRO A 54 20.330 4.447 -18.307 1.00 0.00 H new ATOM 0 HB3 PRO A 54 20.566 3.961 -19.974 1.00 0.00 H new ATOM 0 HG2 PRO A 54 18.059 4.944 -18.625 1.00 0.00 H new ATOM 0 HG3 PRO A 54 18.697 5.364 -20.202 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.680 3.558 -19.915 1.00 0.00 H new ATOM 0 HD3 PRO A 54 17.850 3.424 -21.213 1.00 0.00 H new ATOM 790 N SER A 55 19.626 1.161 -16.733 1.00 0.00 N ATOM 791 CA SER A 55 19.483 0.905 -15.305 1.00 0.00 C ATOM 792 C SER A 55 20.840 0.949 -14.608 1.00 0.00 C ATOM 793 O SER A 55 21.740 0.173 -14.928 1.00 0.00 O ATOM 794 CB SER A 55 18.822 -0.455 -15.073 1.00 0.00 C ATOM 795 OG SER A 55 18.721 -0.744 -13.689 1.00 0.00 O ATOM 0 H SER A 55 19.964 0.364 -17.273 1.00 0.00 H new ATOM 0 HA SER A 55 18.850 1.685 -14.882 1.00 0.00 H new ATOM 0 HB2 SER A 55 17.829 -0.462 -15.522 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.401 -1.234 -15.569 1.00 0.00 H new ATOM 0 HG SER A 55 18.294 -1.618 -13.568 1.00 0.00 H new ATOM 801 N SER A 56 20.977 1.862 -13.652 1.00 0.00 N ATOM 802 CA SER A 56 22.224 2.011 -12.911 1.00 0.00 C ATOM 803 C SER A 56 22.398 0.877 -11.906 1.00 0.00 C ATOM 804 O SER A 56 23.435 0.216 -11.871 1.00 0.00 O ATOM 805 CB SER A 56 22.254 3.358 -12.186 1.00 0.00 C ATOM 806 OG SER A 56 22.591 4.409 -13.076 1.00 0.00 O ATOM 0 H SER A 56 20.240 2.509 -13.372 1.00 0.00 H new ATOM 0 HA SER A 56 23.048 1.971 -13.624 1.00 0.00 H new ATOM 0 HB2 SER A 56 21.280 3.555 -11.738 1.00 0.00 H new ATOM 0 HB3 SER A 56 22.978 3.320 -11.372 1.00 0.00 H new ATOM 0 HG SER A 56 22.602 5.259 -12.589 1.00 0.00 H new ATOM 812 N GLY A 57 21.373 0.656 -11.088 1.00 0.00 N ATOM 813 CA GLY A 57 21.431 -0.398 -10.093 1.00 0.00 C ATOM 814 C GLY A 57 22.575 -0.212 -9.117 1.00 0.00 C ATOM 815 O GLY A 57 23.551 -0.961 -9.144 1.00 0.00 O ATOM 0 H GLY A 57 20.503 1.189 -11.097 1.00 0.00 H new ATOM 0 HA2 GLY A 57 20.490 -0.427 -9.544 1.00 0.00 H new ATOM 0 HA3 GLY A 57 21.537 -1.360 -10.594 1.00 0.00 H new TER 819 GLY A 57