USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 535 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 18 SER OG : rot 180:sc= -0.272 USER MOD Set 1.2: A 20 ASN : amide:sc= 0 X(o=-0.27,f=-0.27) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 150:sc= 0.0295 (180deg=-0.239) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 33:sc= -0.139 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 22 GLN :FLIP amide:sc=-0.00199 F(o=-0.99,f=-0.002) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0261) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.619 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -23:sc= 0.568 USER MOD Single : A 47 THR OG1 : rot -179:sc= -1.17! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 157:sc= -3.6! (180deg=-4.83!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -140:sc= -4.26! USER MOD Single : A 72 ASN : amide:sc= -0.284 K(o=-0.28,f=-2.7!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00606 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0174 F(o=-1.8!,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.548 10.757 -6.532 1.00 1.49 N ATOM 2 CA GLY A 1 8.462 9.792 -6.241 1.00 1.01 C ATOM 3 C GLY A 1 8.726 8.433 -6.854 1.00 0.96 C ATOM 4 O GLY A 1 8.329 8.171 -7.989 1.00 1.71 O ATOM 0 H1 GLY A 1 9.325 11.673 -6.093 1.00 1.49 H new ATOM 0 H2 GLY A 1 10.444 10.397 -6.147 1.00 1.49 H new ATOM 0 H3 GLY A 1 9.638 10.879 -7.561 1.00 1.49 H new ATOM 0 HA2 GLY A 1 8.351 9.687 -5.162 1.00 1.01 H new ATOM 0 HA3 GLY A 1 7.519 10.183 -6.622 1.00 1.01 H new ATOM 8 N ASN A 2 9.399 7.565 -6.109 1.00 0.45 N ATOM 9 CA ASN A 2 9.717 6.227 -6.596 1.00 0.32 C ATOM 10 C ASN A 2 8.711 5.222 -6.076 1.00 0.22 C ATOM 11 O ASN A 2 8.223 5.339 -4.949 1.00 0.22 O ATOM 12 CB ASN A 2 11.114 5.783 -6.153 1.00 0.41 C ATOM 13 CG ASN A 2 12.244 6.642 -6.695 1.00 1.21 C ATOM 14 OD1 ASN A 2 12.124 7.088 -7.937 1.00 2.00 O flip ATOM 15 ND2 ASN A 2 13.241 6.872 -6.009 1.00 1.83 N flip ATOM 0 H ASN A 2 9.735 7.762 -5.166 1.00 0.45 H new ATOM 0 HA ASN A 2 9.683 6.268 -7.685 1.00 0.32 H new ATOM 0 HB2 ASN A 2 11.157 5.792 -5.064 1.00 0.41 H new ATOM 0 HB3 ASN A 2 11.273 4.752 -6.470 1.00 0.41 H new ATOM 0 HD21 ASN A 2 13.299 6.512 -5.056 1.00 1.83 H new ATOM 0 HD22 ASN A 2 14.009 7.422 -6.394 1.00 1.83 H new ATOM 22 N ALA A 3 8.404 4.239 -6.903 1.00 0.18 N ATOM 23 CA ALA A 3 7.538 3.157 -6.493 1.00 0.14 C ATOM 24 C ALA A 3 8.330 2.171 -5.647 1.00 0.15 C ATOM 25 O ALA A 3 9.198 1.454 -6.146 1.00 0.24 O ATOM 26 CB ALA A 3 6.924 2.484 -7.706 1.00 0.17 C ATOM 0 H ALA A 3 8.743 4.171 -7.862 1.00 0.18 H new ATOM 0 HA ALA A 3 6.720 3.550 -5.889 1.00 0.14 H new ATOM 0 HB1 ALA A 3 6.274 1.671 -7.381 1.00 0.17 H new ATOM 0 HB2 ALA A 3 6.340 3.212 -8.270 1.00 0.17 H new ATOM 0 HB3 ALA A 3 7.716 2.085 -8.340 1.00 0.17 H new ATOM 32 N ILE A 4 8.025 2.156 -4.366 1.00 0.10 N ATOM 33 CA ILE A 4 8.798 1.417 -3.387 1.00 0.10 C ATOM 34 C ILE A 4 8.289 -0.011 -3.231 1.00 0.09 C ATOM 35 O ILE A 4 8.936 -0.848 -2.603 1.00 0.11 O ATOM 36 CB ILE A 4 8.743 2.121 -2.021 1.00 0.11 C ATOM 37 CG1 ILE A 4 7.335 2.045 -1.430 1.00 0.12 C ATOM 38 CG2 ILE A 4 9.194 3.563 -2.162 1.00 0.14 C ATOM 39 CD1 ILE A 4 7.211 2.635 -0.042 1.00 0.15 C ATOM 0 H ILE A 4 7.230 2.659 -3.972 1.00 0.10 H new ATOM 0 HA ILE A 4 9.826 1.382 -3.746 1.00 0.10 H new ATOM 0 HB ILE A 4 9.420 1.611 -1.336 1.00 0.11 H new ATOM 0 HG12 ILE A 4 6.645 2.564 -2.096 1.00 0.12 H new ATOM 0 HG13 ILE A 4 7.023 1.001 -1.398 1.00 0.12 H new ATOM 0 HG21 ILE A 4 9.152 4.054 -1.190 1.00 0.14 H new ATOM 0 HG22 ILE A 4 10.217 3.589 -2.538 1.00 0.14 H new ATOM 0 HG23 ILE A 4 8.538 4.083 -2.860 1.00 0.14 H new ATOM 0 HD11 ILE A 4 6.181 2.540 0.303 1.00 0.15 H new ATOM 0 HD12 ILE A 4 7.873 2.102 0.640 1.00 0.15 H new ATOM 0 HD13 ILE A 4 7.490 3.688 -0.068 1.00 0.15 H new ATOM 51 N GLY A 5 7.122 -0.277 -3.788 1.00 0.09 N ATOM 52 CA GLY A 5 6.550 -1.601 -3.713 1.00 0.09 C ATOM 53 C GLY A 5 5.440 -1.779 -4.707 1.00 0.08 C ATOM 54 O GLY A 5 5.058 -0.829 -5.385 1.00 0.10 O ATOM 0 H GLY A 5 6.557 0.405 -4.294 1.00 0.09 H new ATOM 0 HA2 GLY A 5 7.326 -2.344 -3.896 1.00 0.09 H new ATOM 0 HA3 GLY A 5 6.170 -1.778 -2.707 1.00 0.09 H new ATOM 58 N PHE A 6 4.929 -2.991 -4.807 1.00 0.08 N ATOM 59 CA PHE A 6 3.898 -3.306 -5.778 1.00 0.08 C ATOM 60 C PHE A 6 2.930 -4.323 -5.207 1.00 0.09 C ATOM 61 O PHE A 6 3.300 -5.156 -4.382 1.00 0.10 O ATOM 62 CB PHE A 6 4.528 -3.845 -7.058 1.00 0.09 C ATOM 63 CG PHE A 6 5.380 -2.829 -7.762 1.00 0.11 C ATOM 64 CD1 PHE A 6 4.849 -2.000 -8.742 1.00 0.15 C ATOM 65 CD2 PHE A 6 6.722 -2.718 -7.449 1.00 0.13 C ATOM 66 CE1 PHE A 6 5.648 -1.081 -9.394 1.00 0.18 C ATOM 67 CE2 PHE A 6 7.525 -1.803 -8.097 1.00 0.16 C ATOM 68 CZ PHE A 6 6.923 -0.918 -9.057 1.00 0.20 C ATOM 0 H PHE A 6 5.213 -3.778 -4.224 1.00 0.08 H new ATOM 0 HA PHE A 6 3.350 -2.393 -6.012 1.00 0.08 H new ATOM 0 HB2 PHE A 6 5.135 -4.718 -6.819 1.00 0.09 H new ATOM 0 HB3 PHE A 6 3.740 -4.180 -7.732 1.00 0.09 H new ATOM 0 HD1 PHE A 6 3.802 -2.075 -8.996 1.00 0.15 H new ATOM 0 HD2 PHE A 6 7.147 -3.356 -6.688 1.00 0.13 H new ATOM 0 HE1 PHE A 6 5.229 -0.485 -10.191 1.00 0.18 H new ATOM 0 HE2 PHE A 6 8.583 -1.752 -7.888 1.00 0.16 H new ATOM 0 HZ PHE A 6 7.504 -0.124 -9.502 1.00 0.20 H new ATOM 78 N ILE A 7 1.693 -4.245 -5.650 1.00 0.09 N ATOM 79 CA ILE A 7 0.645 -5.128 -5.152 1.00 0.09 C ATOM 80 C ILE A 7 0.756 -6.512 -5.782 1.00 0.11 C ATOM 81 O ILE A 7 0.754 -6.644 -7.006 1.00 0.14 O ATOM 82 CB ILE A 7 -0.754 -4.571 -5.462 1.00 0.10 C ATOM 83 CG1 ILE A 7 -0.848 -3.087 -5.103 1.00 0.11 C ATOM 84 CG2 ILE A 7 -1.819 -5.366 -4.723 1.00 0.10 C ATOM 85 CD1 ILE A 7 -0.590 -2.772 -3.652 1.00 0.11 C ATOM 0 H ILE A 7 1.382 -3.578 -6.357 1.00 0.09 H new ATOM 0 HA ILE A 7 0.779 -5.196 -4.072 1.00 0.09 H new ATOM 0 HB ILE A 7 -0.926 -4.670 -6.534 1.00 0.10 H new ATOM 0 HG12 ILE A 7 -0.134 -2.534 -5.713 1.00 0.11 H new ATOM 0 HG13 ILE A 7 -1.842 -2.725 -5.368 1.00 0.11 H new ATOM 0 HG21 ILE A 7 -2.803 -4.958 -4.954 1.00 0.10 H new ATOM 0 HG22 ILE A 7 -1.776 -6.409 -5.035 1.00 0.10 H new ATOM 0 HG23 ILE A 7 -1.642 -5.301 -3.649 1.00 0.10 H new ATOM 0 HD11 ILE A 7 -0.678 -1.697 -3.492 1.00 0.11 H new ATOM 0 HD12 ILE A 7 -1.319 -3.293 -3.031 1.00 0.11 H new ATOM 0 HD13 ILE A 7 0.414 -3.098 -3.382 1.00 0.11 H new ATOM 97 N THR A 8 0.849 -7.538 -4.949 1.00 0.12 N ATOM 98 CA THR A 8 0.934 -8.907 -5.441 1.00 0.15 C ATOM 99 C THR A 8 -0.264 -9.729 -4.972 1.00 0.16 C ATOM 100 O THR A 8 -0.557 -10.801 -5.508 1.00 0.20 O ATOM 101 CB THR A 8 2.246 -9.560 -4.979 1.00 0.16 C ATOM 102 OG1 THR A 8 2.329 -9.523 -3.549 1.00 0.17 O ATOM 103 CG2 THR A 8 3.433 -8.823 -5.574 1.00 0.17 C ATOM 0 H THR A 8 0.868 -7.450 -3.933 1.00 0.12 H new ATOM 0 HA THR A 8 0.922 -8.879 -6.531 1.00 0.15 H new ATOM 0 HB THR A 8 2.262 -10.596 -5.317 1.00 0.16 H new ATOM 0 HG1 THR A 8 3.166 -9.942 -3.259 1.00 0.17 H new ATOM 0 HG21 THR A 8 4.358 -9.294 -5.240 1.00 0.17 H new ATOM 0 HG22 THR A 8 3.378 -8.862 -6.662 1.00 0.17 H new ATOM 0 HG23 THR A 8 3.417 -7.783 -5.247 1.00 0.17 H new ATOM 111 N LYS A 9 -0.951 -9.215 -3.967 1.00 0.15 N ATOM 112 CA LYS A 9 -2.205 -9.788 -3.512 1.00 0.17 C ATOM 113 C LYS A 9 -3.096 -8.660 -3.023 1.00 0.14 C ATOM 114 O LYS A 9 -2.614 -7.729 -2.389 1.00 0.17 O ATOM 115 CB LYS A 9 -1.974 -10.810 -2.394 1.00 0.22 C ATOM 116 CG LYS A 9 -3.241 -11.535 -1.960 1.00 0.33 C ATOM 117 CD LYS A 9 -3.822 -12.377 -3.088 1.00 1.11 C ATOM 118 CE LYS A 9 -5.165 -12.985 -2.709 1.00 1.47 C ATOM 119 NZ LYS A 9 -6.211 -11.949 -2.495 1.00 2.36 N ATOM 0 H LYS A 9 -0.656 -8.390 -3.444 1.00 0.15 H new ATOM 0 HA LYS A 9 -2.683 -10.314 -4.338 1.00 0.17 H new ATOM 0 HB2 LYS A 9 -1.242 -11.544 -2.730 1.00 0.22 H new ATOM 0 HB3 LYS A 9 -1.543 -10.302 -1.532 1.00 0.22 H new ATOM 0 HG2 LYS A 9 -3.020 -12.174 -1.105 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -3.982 -10.807 -1.630 1.00 0.33 H new ATOM 0 HD2 LYS A 9 -3.942 -11.759 -3.978 1.00 1.11 H new ATOM 0 HD3 LYS A 9 -3.123 -13.173 -3.344 1.00 1.11 H new ATOM 0 HE2 LYS A 9 -5.488 -13.668 -3.495 1.00 1.47 H new ATOM 0 HE3 LYS A 9 -5.051 -13.576 -1.801 1.00 1.47 H new ATOM 0 HZ1 LYS A 9 -7.143 -12.340 -2.741 1.00 2.36 H new ATOM 0 HZ2 LYS A 9 -6.211 -11.656 -1.497 1.00 2.36 H new ATOM 0 HZ3 LYS A 9 -6.012 -11.125 -3.098 1.00 2.36 H new ATOM 133 N LEU A 10 -4.374 -8.712 -3.343 1.00 0.13 N ATOM 134 CA LEU A 10 -5.282 -7.654 -2.947 1.00 0.13 C ATOM 135 C LEU A 10 -6.688 -8.195 -2.751 1.00 0.13 C ATOM 136 O LEU A 10 -7.091 -9.155 -3.406 1.00 0.17 O ATOM 137 CB LEU A 10 -5.251 -6.543 -3.998 1.00 0.13 C ATOM 138 CG LEU A 10 -6.239 -5.401 -3.798 1.00 0.16 C ATOM 139 CD1 LEU A 10 -5.606 -4.090 -4.224 1.00 0.20 C ATOM 140 CD2 LEU A 10 -7.508 -5.654 -4.596 1.00 0.18 C ATOM 0 H LEU A 10 -4.805 -9.470 -3.872 1.00 0.13 H new ATOM 0 HA LEU A 10 -4.961 -7.240 -1.991 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -4.245 -6.125 -4.025 1.00 0.13 H new ATOM 0 HB3 LEU A 10 -5.437 -6.990 -4.975 1.00 0.13 H new ATOM 0 HG LEU A 10 -6.500 -5.343 -2.741 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -6.318 -3.278 -4.078 1.00 0.20 H new ATOM 0 HD12 LEU A 10 -4.715 -3.904 -3.624 1.00 0.20 H new ATOM 0 HD13 LEU A 10 -5.329 -4.145 -5.277 1.00 0.20 H new ATOM 0 HD21 LEU A 10 -8.204 -4.830 -4.443 1.00 0.18 H new ATOM 0 HD22 LEU A 10 -7.263 -5.730 -5.655 1.00 0.18 H new ATOM 0 HD23 LEU A 10 -7.968 -6.584 -4.263 1.00 0.18 H new ATOM 152 N ASP A 11 -7.416 -7.592 -1.825 1.00 0.14 N ATOM 153 CA ASP A 11 -8.771 -8.015 -1.518 1.00 0.16 C ATOM 154 C ASP A 11 -9.545 -6.876 -0.870 1.00 0.16 C ATOM 155 O ASP A 11 -8.950 -5.988 -0.256 1.00 0.19 O ATOM 156 CB ASP A 11 -8.749 -9.200 -0.552 1.00 0.25 C ATOM 157 CG ASP A 11 -10.012 -10.041 -0.635 1.00 1.08 C ATOM 158 OD1 ASP A 11 -10.031 -11.018 -1.409 1.00 1.94 O ATOM 159 OD2 ASP A 11 -10.991 -9.726 0.073 1.00 1.41 O ATOM 0 H ASP A 11 -7.087 -6.802 -1.270 1.00 0.14 H new ATOM 0 HA ASP A 11 -9.255 -8.307 -2.450 1.00 0.16 H new ATOM 0 HB2 ASP A 11 -7.884 -9.826 -0.770 1.00 0.25 H new ATOM 0 HB3 ASP A 11 -8.627 -8.832 0.467 1.00 0.25 H new ATOM 164 N GLY A 12 -10.861 -6.907 -1.008 1.00 0.23 N ATOM 165 CA GLY A 12 -11.709 -5.969 -0.304 1.00 0.23 C ATOM 166 C GLY A 12 -11.699 -4.580 -0.904 1.00 0.20 C ATOM 167 O GLY A 12 -11.382 -4.395 -2.083 1.00 0.27 O ATOM 0 H GLY A 12 -11.360 -7.571 -1.600 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -12.731 -6.347 -0.300 1.00 0.23 H new ATOM 0 HA3 GLY A 12 -11.387 -5.910 0.736 1.00 0.23 H new ATOM 171 N SER A 13 -12.051 -3.605 -0.082 1.00 0.18 N ATOM 172 CA SER A 13 -12.122 -2.225 -0.502 1.00 0.18 C ATOM 173 C SER A 13 -10.871 -1.480 -0.060 1.00 0.15 C ATOM 174 O SER A 13 -10.613 -1.343 1.138 1.00 0.19 O ATOM 175 CB SER A 13 -13.367 -1.594 0.107 1.00 0.23 C ATOM 176 OG SER A 13 -14.527 -2.330 -0.254 1.00 1.16 O ATOM 0 H SER A 13 -12.295 -3.754 0.897 1.00 0.18 H new ATOM 0 HA SER A 13 -12.182 -2.168 -1.589 1.00 0.18 H new ATOM 0 HB2 SER A 13 -13.272 -1.563 1.192 1.00 0.23 H new ATOM 0 HB3 SER A 13 -13.463 -0.563 -0.234 1.00 0.23 H new ATOM 0 HG SER A 13 -15.318 -1.912 0.147 1.00 1.16 H new ATOM 182 N VAL A 14 -10.080 -1.027 -1.024 1.00 0.13 N ATOM 183 CA VAL A 14 -8.818 -0.379 -0.717 1.00 0.12 C ATOM 184 C VAL A 14 -8.637 0.907 -1.519 1.00 0.11 C ATOM 185 O VAL A 14 -9.181 1.066 -2.612 1.00 0.13 O ATOM 186 CB VAL A 14 -7.612 -1.309 -0.972 1.00 0.16 C ATOM 187 CG1 VAL A 14 -7.856 -2.689 -0.383 1.00 0.19 C ATOM 188 CG2 VAL A 14 -7.308 -1.397 -2.455 1.00 0.20 C ATOM 0 H VAL A 14 -10.291 -1.097 -2.019 1.00 0.13 H new ATOM 0 HA VAL A 14 -8.853 -0.136 0.345 1.00 0.12 H new ATOM 0 HB VAL A 14 -6.742 -0.882 -0.473 1.00 0.16 H new ATOM 0 HG11 VAL A 14 -6.992 -3.325 -0.576 1.00 0.19 H new ATOM 0 HG12 VAL A 14 -8.010 -2.603 0.693 1.00 0.19 H new ATOM 0 HG13 VAL A 14 -8.741 -3.130 -0.843 1.00 0.19 H new ATOM 0 HG21 VAL A 14 -6.455 -2.057 -2.613 1.00 0.20 H new ATOM 0 HG22 VAL A 14 -8.176 -1.794 -2.981 1.00 0.20 H new ATOM 0 HG23 VAL A 14 -7.074 -0.404 -2.838 1.00 0.20 H new ATOM 198 N THR A 15 -7.874 1.814 -0.946 1.00 0.10 N ATOM 199 CA THR A 15 -7.596 3.116 -1.531 1.00 0.10 C ATOM 200 C THR A 15 -6.233 3.593 -1.055 1.00 0.10 C ATOM 201 O THR A 15 -5.733 3.102 -0.050 1.00 0.10 O ATOM 202 CB THR A 15 -8.672 4.146 -1.125 1.00 0.13 C ATOM 203 OG1 THR A 15 -9.437 3.641 -0.022 1.00 0.17 O ATOM 204 CG2 THR A 15 -9.600 4.459 -2.287 1.00 0.17 C ATOM 0 H THR A 15 -7.420 1.668 -0.044 1.00 0.10 H new ATOM 0 HA THR A 15 -7.605 3.021 -2.617 1.00 0.10 H new ATOM 0 HB THR A 15 -8.166 5.066 -0.833 1.00 0.13 H new ATOM 0 HG1 THR A 15 -8.862 3.090 0.550 1.00 0.17 H new ATOM 0 HG21 THR A 15 -10.347 5.187 -1.970 1.00 0.17 H new ATOM 0 HG22 THR A 15 -9.021 4.869 -3.115 1.00 0.17 H new ATOM 0 HG23 THR A 15 -10.099 3.545 -2.611 1.00 0.17 H new ATOM 212 N VAL A 16 -5.611 4.508 -1.775 1.00 0.10 N ATOM 213 CA VAL A 16 -4.380 5.108 -1.287 1.00 0.11 C ATOM 214 C VAL A 16 -4.404 6.621 -1.470 1.00 0.11 C ATOM 215 O VAL A 16 -4.906 7.127 -2.471 1.00 0.12 O ATOM 216 CB VAL A 16 -3.119 4.503 -1.956 1.00 0.12 C ATOM 217 CG1 VAL A 16 -2.735 5.227 -3.229 1.00 0.12 C ATOM 218 CG2 VAL A 16 -1.948 4.491 -0.989 1.00 0.16 C ATOM 0 H VAL A 16 -5.929 4.848 -2.683 1.00 0.10 H new ATOM 0 HA VAL A 16 -4.321 4.880 -0.223 1.00 0.11 H new ATOM 0 HB VAL A 16 -3.371 3.478 -2.227 1.00 0.12 H new ATOM 0 HG11 VAL A 16 -1.846 4.764 -3.657 1.00 0.12 H new ATOM 0 HG12 VAL A 16 -3.556 5.166 -3.944 1.00 0.12 H new ATOM 0 HG13 VAL A 16 -2.526 6.273 -3.004 1.00 0.12 H new ATOM 0 HG21 VAL A 16 -1.075 4.062 -1.480 1.00 0.16 H new ATOM 0 HG22 VAL A 16 -1.724 5.511 -0.676 1.00 0.16 H new ATOM 0 HG23 VAL A 16 -2.204 3.891 -0.115 1.00 0.16 H new ATOM 228 N GLN A 17 -3.902 7.317 -0.466 1.00 0.12 N ATOM 229 CA GLN A 17 -3.757 8.761 -0.495 1.00 0.12 C ATOM 230 C GLN A 17 -2.298 9.113 -0.721 1.00 0.13 C ATOM 231 O GLN A 17 -1.500 9.077 0.209 1.00 0.13 O ATOM 232 CB GLN A 17 -4.243 9.358 0.831 1.00 0.14 C ATOM 233 CG GLN A 17 -5.559 10.098 0.714 1.00 0.21 C ATOM 234 CD GLN A 17 -6.088 10.571 2.055 1.00 0.29 C ATOM 235 OE1 GLN A 17 -5.322 10.882 2.966 1.00 0.50 O ATOM 236 NE2 GLN A 17 -7.403 10.616 2.187 1.00 0.51 N ATOM 0 H GLN A 17 -3.580 6.890 0.403 1.00 0.12 H new ATOM 0 HA GLN A 17 -4.357 9.173 -1.306 1.00 0.12 H new ATOM 0 HB2 GLN A 17 -4.349 8.558 1.563 1.00 0.14 H new ATOM 0 HB3 GLN A 17 -3.484 10.041 1.213 1.00 0.14 H new ATOM 0 HG2 GLN A 17 -5.430 10.957 0.056 1.00 0.21 H new ATOM 0 HG3 GLN A 17 -6.297 9.446 0.247 1.00 0.21 H new ATOM 0 HE21 GLN A 17 -8.003 10.350 1.407 1.00 0.51 H new ATOM 0 HE22 GLN A 17 -7.817 10.917 3.069 1.00 0.51 H new ATOM 245 N SER A 18 -1.952 9.442 -1.952 1.00 0.16 N ATOM 246 CA SER A 18 -0.563 9.716 -2.301 1.00 0.21 C ATOM 247 C SER A 18 -0.044 10.943 -1.553 1.00 0.24 C ATOM 248 O SER A 18 -0.777 11.566 -0.785 1.00 0.25 O ATOM 249 CB SER A 18 -0.435 9.931 -3.807 1.00 0.28 C ATOM 250 OG SER A 18 -1.276 10.990 -4.237 1.00 1.25 O ATOM 0 H SER A 18 -2.609 9.527 -2.728 1.00 0.16 H new ATOM 0 HA SER A 18 0.039 8.856 -2.008 1.00 0.21 H new ATOM 0 HB2 SER A 18 0.601 10.157 -4.060 1.00 0.28 H new ATOM 0 HB3 SER A 18 -0.699 9.014 -4.334 1.00 0.28 H new ATOM 0 HG SER A 18 -1.178 11.113 -5.204 1.00 1.25 H new ATOM 256 N ILE A 19 1.208 11.312 -1.789 1.00 0.29 N ATOM 257 CA ILE A 19 1.781 12.486 -1.137 1.00 0.33 C ATOM 258 C ILE A 19 1.153 13.777 -1.656 1.00 0.40 C ATOM 259 O ILE A 19 1.469 14.866 -1.186 1.00 0.59 O ATOM 260 CB ILE A 19 3.309 12.557 -1.302 1.00 0.37 C ATOM 261 CG1 ILE A 19 3.709 12.411 -2.773 1.00 0.44 C ATOM 262 CG2 ILE A 19 3.986 11.494 -0.448 1.00 0.37 C ATOM 263 CD1 ILE A 19 5.207 12.338 -2.990 1.00 0.53 C ATOM 0 H ILE A 19 1.842 10.822 -2.420 1.00 0.29 H new ATOM 0 HA ILE A 19 1.556 12.382 -0.076 1.00 0.33 H new ATOM 0 HB ILE A 19 3.644 13.537 -0.961 1.00 0.37 H new ATOM 0 HG12 ILE A 19 3.247 11.511 -3.179 1.00 0.44 H new ATOM 0 HG13 ILE A 19 3.310 13.255 -3.335 1.00 0.44 H new ATOM 0 HG21 ILE A 19 5.067 11.558 -0.576 1.00 0.37 H new ATOM 0 HG22 ILE A 19 3.735 11.655 0.600 1.00 0.37 H new ATOM 0 HG23 ILE A 19 3.642 10.507 -0.756 1.00 0.37 H new ATOM 0 HD11 ILE A 19 5.416 12.235 -4.055 1.00 0.53 H new ATOM 0 HD12 ILE A 19 5.674 13.249 -2.615 1.00 0.53 H new ATOM 0 HD13 ILE A 19 5.610 11.477 -2.456 1.00 0.53 H new ATOM 275 N ASN A 20 0.265 13.650 -2.635 1.00 0.40 N ATOM 276 CA ASN A 20 -0.508 14.788 -3.110 1.00 0.46 C ATOM 277 C ASN A 20 -1.843 14.832 -2.384 1.00 0.40 C ATOM 278 O ASN A 20 -2.621 15.771 -2.539 1.00 0.49 O ATOM 279 CB ASN A 20 -0.748 14.707 -4.621 1.00 0.56 C ATOM 280 CG ASN A 20 0.539 14.639 -5.417 1.00 0.95 C ATOM 281 OD1 ASN A 20 1.153 15.661 -5.710 1.00 1.96 O ATOM 282 ND2 ASN A 20 0.933 13.436 -5.801 1.00 0.83 N ATOM 0 H ASN A 20 0.064 12.772 -3.114 1.00 0.40 H new ATOM 0 HA ASN A 20 0.059 15.696 -2.905 1.00 0.46 H new ATOM 0 HB2 ASN A 20 -1.353 13.828 -4.842 1.00 0.56 H new ATOM 0 HB3 ASN A 20 -1.322 15.577 -4.940 1.00 0.56 H new ATOM 0 HD21 ASN A 20 1.778 13.331 -6.363 1.00 0.83 H new ATOM 0 HD22 ASN A 20 0.392 12.613 -5.535 1.00 0.83 H new ATOM 289 N GLY A 21 -2.104 13.790 -1.602 1.00 0.31 N ATOM 290 CA GLY A 21 -3.349 13.689 -0.864 1.00 0.29 C ATOM 291 C GLY A 21 -4.454 13.177 -1.745 1.00 0.27 C ATOM 292 O GLY A 21 -5.639 13.342 -1.453 1.00 0.32 O ATOM 0 H GLY A 21 -1.467 13.005 -1.466 1.00 0.31 H new ATOM 0 HA2 GLY A 21 -3.219 13.021 -0.012 1.00 0.29 H new ATOM 0 HA3 GLY A 21 -3.620 14.666 -0.464 1.00 0.29 H new ATOM 296 N GLN A 22 -4.050 12.544 -2.828 1.00 0.26 N ATOM 297 CA GLN A 22 -4.975 12.040 -3.815 1.00 0.25 C ATOM 298 C GLN A 22 -5.339 10.594 -3.527 1.00 0.19 C ATOM 299 O GLN A 22 -4.462 9.734 -3.435 1.00 0.18 O ATOM 300 CB GLN A 22 -4.353 12.160 -5.199 1.00 0.32 C ATOM 301 CG GLN A 22 -4.265 13.593 -5.699 1.00 0.48 C ATOM 302 CD GLN A 22 -3.654 13.706 -7.081 1.00 1.39 C ATOM 303 OE1 GLN A 22 -3.836 12.688 -7.908 1.00 2.21 O flip ATOM 304 NE2 GLN A 22 -3.022 14.710 -7.409 1.00 2.08 N flip ATOM 0 H GLN A 22 -3.070 12.366 -3.046 1.00 0.26 H new ATOM 0 HA GLN A 22 -5.889 12.632 -3.774 1.00 0.25 H new ATOM 0 HB2 GLN A 22 -3.352 11.728 -5.178 1.00 0.32 H new ATOM 0 HB3 GLN A 22 -4.939 11.572 -5.905 1.00 0.32 H new ATOM 0 HG2 GLN A 22 -5.264 14.028 -5.714 1.00 0.48 H new ATOM 0 HG3 GLN A 22 -3.672 14.180 -4.998 1.00 0.48 H new ATOM 0 HE21 GLN A 22 -2.901 15.476 -6.746 1.00 2.08 H new ATOM 0 HE22 GLN A 22 -2.619 14.776 -8.344 1.00 2.08 H new ATOM 313 N GLU A 23 -6.633 10.339 -3.378 1.00 0.21 N ATOM 314 CA GLU A 23 -7.128 8.991 -3.139 1.00 0.16 C ATOM 315 C GLU A 23 -7.410 8.289 -4.459 1.00 0.19 C ATOM 316 O GLU A 23 -8.240 8.741 -5.248 1.00 0.28 O ATOM 317 CB GLU A 23 -8.401 9.020 -2.283 1.00 0.19 C ATOM 318 CG GLU A 23 -9.136 7.697 -2.234 1.00 0.58 C ATOM 319 CD GLU A 23 -10.535 7.821 -1.665 1.00 0.78 C ATOM 320 OE1 GLU A 23 -11.485 8.036 -2.444 1.00 1.00 O ATOM 321 OE2 GLU A 23 -10.693 7.709 -0.429 1.00 0.97 O ATOM 0 H GLU A 23 -7.361 11.052 -3.419 1.00 0.21 H new ATOM 0 HA GLU A 23 -6.358 8.440 -2.599 1.00 0.16 H new ATOM 0 HB2 GLU A 23 -8.138 9.316 -1.268 1.00 0.19 H new ATOM 0 HB3 GLU A 23 -9.073 9.784 -2.674 1.00 0.19 H new ATOM 0 HG2 GLU A 23 -9.194 7.282 -3.240 1.00 0.58 H new ATOM 0 HG3 GLU A 23 -8.565 6.992 -1.630 1.00 0.58 H new ATOM 328 N ARG A 24 -6.710 7.198 -4.704 1.00 0.21 N ATOM 329 CA ARG A 24 -6.983 6.374 -5.868 1.00 0.30 C ATOM 330 C ARG A 24 -7.320 4.970 -5.423 1.00 0.27 C ATOM 331 O ARG A 24 -7.080 4.602 -4.271 1.00 0.33 O ATOM 332 CB ARG A 24 -5.785 6.329 -6.815 1.00 0.43 C ATOM 333 CG ARG A 24 -4.655 5.438 -6.339 1.00 0.45 C ATOM 334 CD ARG A 24 -3.431 5.579 -7.225 1.00 0.51 C ATOM 335 NE ARG A 24 -2.427 4.576 -6.909 1.00 0.66 N ATOM 336 CZ ARG A 24 -1.298 4.821 -6.249 1.00 0.75 C ATOM 337 NH1 ARG A 24 -0.997 6.056 -5.872 1.00 1.55 N ATOM 338 NH2 ARG A 24 -0.470 3.827 -5.971 1.00 1.22 N ATOM 0 H ARG A 24 -5.949 6.861 -4.114 1.00 0.21 H new ATOM 0 HA ARG A 24 -7.825 6.814 -6.403 1.00 0.30 H new ATOM 0 HB2 ARG A 24 -6.120 5.982 -7.792 1.00 0.43 H new ATOM 0 HB3 ARG A 24 -5.404 7.341 -6.950 1.00 0.43 H new ATOM 0 HG2 ARG A 24 -4.395 5.694 -5.312 1.00 0.45 H new ATOM 0 HG3 ARG A 24 -4.985 4.399 -6.334 1.00 0.45 H new ATOM 0 HD2 ARG A 24 -3.724 5.485 -8.271 1.00 0.51 H new ATOM 0 HD3 ARG A 24 -3.004 6.574 -7.102 1.00 0.51 H new ATOM 0 HE ARG A 24 -2.600 3.618 -7.214 1.00 0.66 H new ATOM 0 HH11 ARG A 24 -1.632 6.824 -6.088 1.00 1.55 H new ATOM 0 HH12 ARG A 24 -0.130 6.238 -5.366 1.00 1.55 H new ATOM 0 HH21 ARG A 24 -0.698 2.877 -6.263 1.00 1.22 H new ATOM 0 HH22 ARG A 24 0.396 4.011 -5.465 1.00 1.22 H new ATOM 352 N VAL A 25 -7.853 4.187 -6.336 1.00 0.26 N ATOM 353 CA VAL A 25 -8.175 2.807 -6.035 1.00 0.25 C ATOM 354 C VAL A 25 -6.977 1.938 -6.351 1.00 0.23 C ATOM 355 O VAL A 25 -6.322 2.111 -7.382 1.00 0.32 O ATOM 356 CB VAL A 25 -9.412 2.297 -6.810 1.00 0.31 C ATOM 357 CG1 VAL A 25 -9.141 2.221 -8.306 1.00 0.35 C ATOM 358 CG2 VAL A 25 -9.858 0.943 -6.275 1.00 0.32 C ATOM 0 H VAL A 25 -8.072 4.479 -7.288 1.00 0.26 H new ATOM 0 HA VAL A 25 -8.422 2.751 -4.975 1.00 0.25 H new ATOM 0 HB VAL A 25 -10.218 3.014 -6.657 1.00 0.31 H new ATOM 0 HG11 VAL A 25 -10.032 1.859 -8.819 1.00 0.35 H new ATOM 0 HG12 VAL A 25 -8.884 3.212 -8.680 1.00 0.35 H new ATOM 0 HG13 VAL A 25 -8.312 1.538 -8.491 1.00 0.35 H new ATOM 0 HG21 VAL A 25 -10.730 0.601 -6.833 1.00 0.32 H new ATOM 0 HG22 VAL A 25 -9.048 0.222 -6.389 1.00 0.32 H new ATOM 0 HG23 VAL A 25 -10.116 1.036 -5.220 1.00 0.32 H new ATOM 368 N LEU A 26 -6.667 1.035 -5.456 1.00 0.16 N ATOM 369 CA LEU A 26 -5.537 0.159 -5.661 1.00 0.15 C ATOM 370 C LEU A 26 -5.976 -1.155 -6.257 1.00 0.15 C ATOM 371 O LEU A 26 -7.077 -1.639 -5.994 1.00 0.28 O ATOM 372 CB LEU A 26 -4.766 -0.064 -4.368 1.00 0.15 C ATOM 373 CG LEU A 26 -3.989 1.150 -3.869 1.00 0.17 C ATOM 374 CD1 LEU A 26 -2.784 0.700 -3.079 1.00 0.23 C ATOM 375 CD2 LEU A 26 -3.561 2.025 -5.034 1.00 0.32 C ATOM 0 H LEU A 26 -7.175 0.886 -4.584 1.00 0.16 H new ATOM 0 HA LEU A 26 -4.865 0.646 -6.368 1.00 0.15 H new ATOM 0 HB2 LEU A 26 -5.467 -0.373 -3.592 1.00 0.15 H new ATOM 0 HB3 LEU A 26 -4.069 -0.889 -4.515 1.00 0.15 H new ATOM 0 HG LEU A 26 -4.638 1.738 -3.220 1.00 0.17 H new ATOM 0 HD11 LEU A 26 -2.234 1.572 -2.726 1.00 0.23 H new ATOM 0 HD12 LEU A 26 -3.110 0.106 -2.225 1.00 0.23 H new ATOM 0 HD13 LEU A 26 -2.137 0.096 -3.715 1.00 0.23 H new ATOM 0 HD21 LEU A 26 -3.008 2.886 -4.658 1.00 0.32 H new ATOM 0 HD22 LEU A 26 -2.924 1.450 -5.706 1.00 0.32 H new ATOM 0 HD23 LEU A 26 -4.443 2.368 -5.575 1.00 0.32 H new ATOM 387 N LYS A 27 -5.108 -1.714 -7.077 1.00 0.30 N ATOM 388 CA LYS A 27 -5.404 -2.945 -7.793 1.00 0.27 C ATOM 389 C LYS A 27 -4.176 -3.831 -7.756 1.00 0.21 C ATOM 390 O LYS A 27 -3.121 -3.391 -7.310 1.00 0.26 O ATOM 391 CB LYS A 27 -5.784 -2.644 -9.247 1.00 0.42 C ATOM 392 CG LYS A 27 -6.708 -1.452 -9.404 1.00 0.61 C ATOM 393 CD LYS A 27 -7.378 -1.457 -10.765 1.00 0.83 C ATOM 394 CE LYS A 27 -8.170 -0.187 -10.989 1.00 1.09 C ATOM 395 NZ LYS A 27 -7.289 0.976 -11.284 1.00 1.65 N ATOM 0 H LYS A 27 -4.181 -1.332 -7.267 1.00 0.30 H new ATOM 0 HA LYS A 27 -6.246 -3.448 -7.318 1.00 0.27 H new ATOM 0 HB2 LYS A 27 -4.875 -2.465 -9.821 1.00 0.42 H new ATOM 0 HB3 LYS A 27 -6.264 -3.523 -9.677 1.00 0.42 H new ATOM 0 HG2 LYS A 27 -7.467 -1.470 -8.622 1.00 0.61 H new ATOM 0 HG3 LYS A 27 -6.142 -0.529 -9.277 1.00 0.61 H new ATOM 0 HD2 LYS A 27 -6.623 -1.560 -11.545 1.00 0.83 H new ATOM 0 HD3 LYS A 27 -8.039 -2.320 -10.845 1.00 0.83 H new ATOM 0 HE2 LYS A 27 -8.865 -0.334 -11.816 1.00 1.09 H new ATOM 0 HE3 LYS A 27 -8.769 0.027 -10.104 1.00 1.09 H new ATOM 0 HZ1 LYS A 27 -7.873 1.800 -11.530 1.00 1.65 H new ATOM 0 HZ2 LYS A 27 -6.714 1.197 -10.446 1.00 1.65 H new ATOM 0 HZ3 LYS A 27 -6.664 0.744 -12.082 1.00 1.65 H new ATOM 409 N LEU A 28 -4.286 -5.068 -8.212 1.00 0.19 N ATOM 410 CA LEU A 28 -3.114 -5.918 -8.244 1.00 0.16 C ATOM 411 C LEU A 28 -2.118 -5.357 -9.234 1.00 0.18 C ATOM 412 O LEU A 28 -2.498 -4.898 -10.312 1.00 0.21 O ATOM 413 CB LEU A 28 -3.422 -7.350 -8.649 1.00 0.15 C ATOM 414 CG LEU A 28 -2.528 -8.376 -7.956 1.00 0.16 C ATOM 415 CD1 LEU A 28 -3.206 -8.908 -6.710 1.00 0.23 C ATOM 416 CD2 LEU A 28 -2.144 -9.508 -8.890 1.00 0.15 C ATOM 0 H LEU A 28 -5.147 -5.494 -8.555 1.00 0.19 H new ATOM 0 HA LEU A 28 -2.715 -5.936 -7.230 1.00 0.16 H new ATOM 0 HB2 LEU A 28 -4.464 -7.570 -8.417 1.00 0.15 H new ATOM 0 HB3 LEU A 28 -3.308 -7.448 -9.729 1.00 0.15 H new ATOM 0 HG LEU A 28 -1.606 -7.873 -7.664 1.00 0.16 H new ATOM 0 HD11 LEU A 28 -2.557 -9.638 -6.226 1.00 0.23 H new ATOM 0 HD12 LEU A 28 -3.402 -8.085 -6.023 1.00 0.23 H new ATOM 0 HD13 LEU A 28 -4.148 -9.384 -6.983 1.00 0.23 H new ATOM 0 HD21 LEU A 28 -1.508 -10.217 -8.360 1.00 0.15 H new ATOM 0 HD22 LEU A 28 -3.044 -10.016 -9.235 1.00 0.15 H new ATOM 0 HD23 LEU A 28 -1.603 -9.105 -9.747 1.00 0.15 H new ATOM 428 N GLY A 29 -0.852 -5.386 -8.873 1.00 0.19 N ATOM 429 CA GLY A 29 0.159 -4.896 -9.769 1.00 0.21 C ATOM 430 C GLY A 29 0.311 -3.389 -9.703 1.00 0.19 C ATOM 431 O GLY A 29 1.133 -2.812 -10.420 1.00 0.24 O ATOM 0 H GLY A 29 -0.508 -5.738 -7.980 1.00 0.19 H new ATOM 0 HA2 GLY A 29 1.113 -5.365 -9.527 1.00 0.21 H new ATOM 0 HA3 GLY A 29 -0.091 -5.189 -10.789 1.00 0.21 H new ATOM 435 N ASP A 30 -0.480 -2.744 -8.848 1.00 0.19 N ATOM 436 CA ASP A 30 -0.396 -1.299 -8.682 1.00 0.16 C ATOM 437 C ASP A 30 0.817 -0.929 -7.837 1.00 0.13 C ATOM 438 O ASP A 30 1.190 -1.637 -6.900 1.00 0.16 O ATOM 439 CB ASP A 30 -1.703 -0.720 -8.106 1.00 0.21 C ATOM 440 CG ASP A 30 -1.528 0.209 -6.940 1.00 1.17 C ATOM 441 OD1 ASP A 30 -1.770 -0.246 -5.818 1.00 1.92 O ATOM 442 OD2 ASP A 30 -1.239 1.410 -7.158 1.00 1.48 O ATOM 0 H ASP A 30 -1.182 -3.198 -8.264 1.00 0.19 H new ATOM 0 HA ASP A 30 -0.263 -0.848 -9.665 1.00 0.16 H new ATOM 0 HB2 ASP A 30 -2.227 -0.187 -8.900 1.00 0.21 H new ATOM 0 HB3 ASP A 30 -2.344 -1.546 -7.799 1.00 0.21 H new ATOM 447 N PRO A 31 1.483 0.153 -8.230 1.00 0.12 N ATOM 448 CA PRO A 31 2.703 0.626 -7.589 1.00 0.12 C ATOM 449 C PRO A 31 2.461 1.412 -6.314 1.00 0.13 C ATOM 450 O PRO A 31 1.691 2.361 -6.289 1.00 0.22 O ATOM 451 CB PRO A 31 3.305 1.542 -8.644 1.00 0.19 C ATOM 452 CG PRO A 31 2.136 2.061 -9.414 1.00 0.19 C ATOM 453 CD PRO A 31 1.084 0.993 -9.365 1.00 0.18 C ATOM 0 HA PRO A 31 3.333 -0.208 -7.282 1.00 0.12 H new ATOM 0 HB2 PRO A 31 3.869 2.355 -8.186 1.00 0.19 H new ATOM 0 HB3 PRO A 31 3.995 1.000 -9.291 1.00 0.19 H new ATOM 0 HG2 PRO A 31 1.766 2.989 -8.979 1.00 0.19 H new ATOM 0 HG3 PRO A 31 2.417 2.281 -10.444 1.00 0.19 H new ATOM 0 HD2 PRO A 31 0.091 1.417 -9.218 1.00 0.18 H new ATOM 0 HD3 PRO A 31 1.052 0.422 -10.293 1.00 0.18 H new ATOM 461 N ILE A 32 3.155 1.025 -5.269 1.00 0.10 N ATOM 462 CA ILE A 32 3.129 1.755 -4.021 1.00 0.11 C ATOM 463 C ILE A 32 4.331 2.669 -3.955 1.00 0.11 C ATOM 464 O ILE A 32 5.450 2.254 -4.234 1.00 0.12 O ATOM 465 CB ILE A 32 3.143 0.809 -2.809 1.00 0.11 C ATOM 466 CG1 ILE A 32 1.832 0.036 -2.724 1.00 0.11 C ATOM 467 CG2 ILE A 32 3.399 1.574 -1.523 1.00 0.13 C ATOM 468 CD1 ILE A 32 0.624 0.908 -2.453 1.00 0.13 C ATOM 0 H ILE A 32 3.752 0.198 -5.259 1.00 0.10 H new ATOM 0 HA ILE A 32 2.206 2.334 -3.986 1.00 0.11 H new ATOM 0 HB ILE A 32 3.958 0.097 -2.942 1.00 0.11 H new ATOM 0 HG12 ILE A 32 1.677 -0.502 -3.659 1.00 0.11 H new ATOM 0 HG13 ILE A 32 1.913 -0.712 -1.935 1.00 0.11 H new ATOM 0 HG21 ILE A 32 3.404 0.881 -0.682 1.00 0.13 H new ATOM 0 HG22 ILE A 32 4.364 2.076 -1.585 1.00 0.13 H new ATOM 0 HG23 ILE A 32 2.613 2.315 -1.378 1.00 0.13 H new ATOM 0 HD11 ILE A 32 -0.270 0.287 -2.407 1.00 0.13 H new ATOM 0 HD12 ILE A 32 0.755 1.427 -1.503 1.00 0.13 H new ATOM 0 HD13 ILE A 32 0.516 1.639 -3.254 1.00 0.13 H new ATOM 480 N PHE A 33 4.091 3.902 -3.587 1.00 0.12 N ATOM 481 CA PHE A 33 5.137 4.907 -3.523 1.00 0.13 C ATOM 482 C PHE A 33 5.367 5.319 -2.078 1.00 0.12 C ATOM 483 O PHE A 33 4.508 5.112 -1.216 1.00 0.14 O ATOM 484 CB PHE A 33 4.759 6.124 -4.376 1.00 0.15 C ATOM 485 CG PHE A 33 4.615 5.816 -5.842 1.00 0.17 C ATOM 486 CD1 PHE A 33 5.612 6.160 -6.742 1.00 0.19 C ATOM 487 CD2 PHE A 33 3.480 5.186 -6.322 1.00 0.25 C ATOM 488 CE1 PHE A 33 5.476 5.880 -8.087 1.00 0.22 C ATOM 489 CE2 PHE A 33 3.339 4.903 -7.666 1.00 0.29 C ATOM 490 CZ PHE A 33 4.359 5.247 -8.549 1.00 0.25 C ATOM 0 H PHE A 33 3.167 4.244 -3.322 1.00 0.12 H new ATOM 0 HA PHE A 33 6.061 4.485 -3.920 1.00 0.13 H new ATOM 0 HB2 PHE A 33 3.820 6.537 -4.007 1.00 0.15 H new ATOM 0 HB3 PHE A 33 5.519 6.895 -4.249 1.00 0.15 H new ATOM 0 HD1 PHE A 33 6.505 6.653 -6.387 1.00 0.19 H new ATOM 0 HD2 PHE A 33 2.693 4.912 -5.635 1.00 0.25 H new ATOM 0 HE1 PHE A 33 6.257 6.163 -8.777 1.00 0.22 H new ATOM 0 HE2 PHE A 33 2.445 4.419 -8.029 1.00 0.29 H new ATOM 0 HZ PHE A 33 4.266 5.013 -9.599 1.00 0.25 H new ATOM 500 N PHE A 34 6.529 5.892 -1.810 1.00 0.11 N ATOM 501 CA PHE A 34 6.894 6.245 -0.448 1.00 0.11 C ATOM 502 C PHE A 34 6.120 7.475 0.000 1.00 0.11 C ATOM 503 O PHE A 34 6.279 8.559 -0.563 1.00 0.18 O ATOM 504 CB PHE A 34 8.398 6.512 -0.343 1.00 0.11 C ATOM 505 CG PHE A 34 8.994 6.124 0.981 1.00 0.12 C ATOM 506 CD1 PHE A 34 8.765 6.888 2.111 1.00 0.15 C ATOM 507 CD2 PHE A 34 9.789 4.993 1.092 1.00 0.14 C ATOM 508 CE1 PHE A 34 9.318 6.532 3.326 1.00 0.17 C ATOM 509 CE2 PHE A 34 10.341 4.632 2.297 1.00 0.16 C ATOM 510 CZ PHE A 34 10.107 5.401 3.418 1.00 0.16 C ATOM 0 H PHE A 34 7.232 6.121 -2.513 1.00 0.11 H new ATOM 0 HA PHE A 34 6.642 5.407 0.202 1.00 0.11 H new ATOM 0 HB2 PHE A 34 8.910 5.966 -1.135 1.00 0.11 H new ATOM 0 HB3 PHE A 34 8.582 7.572 -0.517 1.00 0.11 H new ATOM 0 HD1 PHE A 34 8.148 7.772 2.043 1.00 0.15 H new ATOM 0 HD2 PHE A 34 9.977 4.387 0.218 1.00 0.14 H new ATOM 0 HE1 PHE A 34 9.134 7.136 4.202 1.00 0.17 H new ATOM 0 HE2 PHE A 34 10.957 3.748 2.367 1.00 0.16 H new ATOM 0 HZ PHE A 34 10.540 5.120 4.367 1.00 0.16 H new ATOM 520 N GLY A 35 5.281 7.301 1.006 1.00 0.10 N ATOM 521 CA GLY A 35 4.532 8.414 1.538 1.00 0.12 C ATOM 522 C GLY A 35 3.057 8.362 1.194 1.00 0.10 C ATOM 523 O GLY A 35 2.339 9.331 1.430 1.00 0.17 O ATOM 0 H GLY A 35 5.106 6.407 1.464 1.00 0.10 H new ATOM 0 HA2 GLY A 35 4.645 8.434 2.622 1.00 0.12 H new ATOM 0 HA3 GLY A 35 4.955 9.343 1.156 1.00 0.12 H new ATOM 527 N GLU A 36 2.583 7.252 0.637 1.00 0.12 N ATOM 528 CA GLU A 36 1.163 7.146 0.334 1.00 0.11 C ATOM 529 C GLU A 36 0.415 6.545 1.512 1.00 0.11 C ATOM 530 O GLU A 36 0.898 5.630 2.173 1.00 0.16 O ATOM 531 CB GLU A 36 0.897 6.335 -0.938 1.00 0.14 C ATOM 532 CG GLU A 36 1.718 6.791 -2.117 1.00 0.17 C ATOM 533 CD GLU A 36 1.416 6.018 -3.379 1.00 0.28 C ATOM 534 OE1 GLU A 36 1.572 4.783 -3.378 1.00 0.28 O ATOM 535 OE2 GLU A 36 1.036 6.652 -4.383 1.00 0.52 O ATOM 0 H GLU A 36 3.144 6.436 0.393 1.00 0.12 H new ATOM 0 HA GLU A 36 0.796 8.156 0.153 1.00 0.11 H new ATOM 0 HB2 GLU A 36 1.108 5.284 -0.741 1.00 0.14 H new ATOM 0 HB3 GLU A 36 -0.161 6.406 -1.191 1.00 0.14 H new ATOM 0 HG2 GLU A 36 1.534 7.851 -2.293 1.00 0.17 H new ATOM 0 HG3 GLU A 36 2.776 6.687 -1.878 1.00 0.17 H new ATOM 542 N THR A 37 -0.753 7.087 1.768 1.00 0.11 N ATOM 543 CA THR A 37 -1.568 6.689 2.897 1.00 0.12 C ATOM 544 C THR A 37 -2.643 5.700 2.464 1.00 0.11 C ATOM 545 O THR A 37 -3.621 6.079 1.831 1.00 0.12 O ATOM 546 CB THR A 37 -2.233 7.923 3.526 1.00 0.13 C ATOM 547 OG1 THR A 37 -1.245 8.933 3.773 1.00 0.16 O ATOM 548 CG2 THR A 37 -2.914 7.556 4.826 1.00 0.14 C ATOM 0 H THR A 37 -1.169 7.822 1.196 1.00 0.11 H new ATOM 0 HA THR A 37 -0.922 6.208 3.631 1.00 0.12 H new ATOM 0 HB THR A 37 -2.982 8.304 2.832 1.00 0.13 H new ATOM 0 HG1 THR A 37 -1.673 9.719 4.172 1.00 0.16 H new ATOM 0 HG21 THR A 37 -3.379 8.443 5.256 1.00 0.14 H new ATOM 0 HG22 THR A 37 -3.678 6.802 4.636 1.00 0.14 H new ATOM 0 HG23 THR A 37 -2.177 7.158 5.523 1.00 0.14 H new ATOM 556 N VAL A 38 -2.469 4.440 2.811 1.00 0.12 N ATOM 557 CA VAL A 38 -3.378 3.407 2.344 1.00 0.12 C ATOM 558 C VAL A 38 -4.626 3.354 3.212 1.00 0.13 C ATOM 559 O VAL A 38 -4.547 3.233 4.433 1.00 0.16 O ATOM 560 CB VAL A 38 -2.721 2.016 2.318 1.00 0.15 C ATOM 561 CG1 VAL A 38 -3.538 1.069 1.453 1.00 0.15 C ATOM 562 CG2 VAL A 38 -1.290 2.101 1.814 1.00 0.16 C ATOM 0 H VAL A 38 -1.714 4.107 3.410 1.00 0.12 H new ATOM 0 HA VAL A 38 -3.649 3.673 1.322 1.00 0.12 H new ATOM 0 HB VAL A 38 -2.695 1.627 3.336 1.00 0.15 H new ATOM 0 HG11 VAL A 38 -3.065 0.087 1.441 1.00 0.15 H new ATOM 0 HG12 VAL A 38 -4.545 0.981 1.861 1.00 0.15 H new ATOM 0 HG13 VAL A 38 -3.591 1.459 0.436 1.00 0.15 H new ATOM 0 HG21 VAL A 38 -0.848 1.105 1.805 1.00 0.16 H new ATOM 0 HG22 VAL A 38 -1.284 2.510 0.804 1.00 0.16 H new ATOM 0 HG23 VAL A 38 -0.711 2.749 2.471 1.00 0.16 H new ATOM 572 N LEU A 39 -5.769 3.456 2.558 1.00 0.15 N ATOM 573 CA LEU A 39 -7.056 3.420 3.219 1.00 0.15 C ATOM 574 C LEU A 39 -7.775 2.124 2.872 1.00 0.17 C ATOM 575 O LEU A 39 -8.258 1.962 1.754 1.00 0.27 O ATOM 576 CB LEU A 39 -7.908 4.610 2.768 1.00 0.16 C ATOM 577 CG LEU A 39 -7.259 5.985 2.923 1.00 0.16 C ATOM 578 CD1 LEU A 39 -6.866 6.539 1.563 1.00 0.20 C ATOM 579 CD2 LEU A 39 -8.200 6.935 3.643 1.00 0.27 C ATOM 0 H LEU A 39 -5.828 3.567 1.546 1.00 0.15 H new ATOM 0 HA LEU A 39 -6.903 3.474 4.297 1.00 0.15 H new ATOM 0 HB2 LEU A 39 -8.171 4.469 1.720 1.00 0.16 H new ATOM 0 HB3 LEU A 39 -8.839 4.602 3.334 1.00 0.16 H new ATOM 0 HG LEU A 39 -6.355 5.881 3.523 1.00 0.16 H new ATOM 0 HD11 LEU A 39 -6.405 7.519 1.689 1.00 0.20 H new ATOM 0 HD12 LEU A 39 -6.157 5.863 1.086 1.00 0.20 H new ATOM 0 HD13 LEU A 39 -7.754 6.633 0.938 1.00 0.20 H new ATOM 0 HD21 LEU A 39 -7.724 7.910 3.746 1.00 0.27 H new ATOM 0 HD22 LEU A 39 -9.121 7.040 3.069 1.00 0.27 H new ATOM 0 HD23 LEU A 39 -8.432 6.538 4.631 1.00 0.27 H new ATOM 591 N THR A 40 -7.824 1.193 3.805 1.00 0.14 N ATOM 592 CA THR A 40 -8.517 -0.062 3.572 1.00 0.16 C ATOM 593 C THR A 40 -9.779 -0.120 4.409 1.00 0.18 C ATOM 594 O THR A 40 -9.809 0.380 5.532 1.00 0.22 O ATOM 595 CB THR A 40 -7.632 -1.285 3.892 1.00 0.20 C ATOM 596 OG1 THR A 40 -7.265 -1.300 5.278 1.00 0.23 O ATOM 597 CG2 THR A 40 -6.374 -1.280 3.041 1.00 0.22 C ATOM 0 H THR A 40 -7.395 1.279 4.727 1.00 0.14 H new ATOM 0 HA THR A 40 -8.768 -0.100 2.512 1.00 0.16 H new ATOM 0 HB THR A 40 -8.213 -2.179 3.666 1.00 0.20 H new ATOM 0 HG1 THR A 40 -6.706 -2.084 5.460 1.00 0.23 H new ATOM 0 HG21 THR A 40 -5.766 -2.152 3.285 1.00 0.22 H new ATOM 0 HG22 THR A 40 -6.648 -1.312 1.986 1.00 0.22 H new ATOM 0 HG23 THR A 40 -5.804 -0.373 3.240 1.00 0.22 H new ATOM 605 N GLY A 41 -10.825 -0.707 3.862 1.00 0.22 N ATOM 606 CA GLY A 41 -12.054 -0.849 4.602 1.00 0.27 C ATOM 607 C GLY A 41 -12.459 -2.294 4.734 1.00 0.43 C ATOM 608 O GLY A 41 -12.108 -3.109 3.885 1.00 0.90 O ATOM 0 H GLY A 41 -10.845 -1.089 2.916 1.00 0.22 H new ATOM 0 HA2 GLY A 41 -11.935 -0.412 5.593 1.00 0.27 H new ATOM 0 HA3 GLY A 41 -12.847 -0.293 4.102 1.00 0.27 H new ATOM 612 N GLY A 42 -13.176 -2.610 5.805 1.00 0.55 N ATOM 613 CA GLY A 42 -13.629 -3.970 6.040 1.00 0.61 C ATOM 614 C GLY A 42 -12.503 -4.984 6.004 1.00 0.85 C ATOM 615 O GLY A 42 -11.617 -4.968 6.858 1.00 1.79 O ATOM 0 H GLY A 42 -13.455 -1.941 6.523 1.00 0.55 H new ATOM 0 HA2 GLY A 42 -14.124 -4.020 7.010 1.00 0.61 H new ATOM 0 HA3 GLY A 42 -14.373 -4.234 5.288 1.00 0.61 H new ATOM 619 N SER A 43 -12.532 -5.853 5.003 1.00 0.67 N ATOM 620 CA SER A 43 -11.529 -6.895 4.864 1.00 0.80 C ATOM 621 C SER A 43 -10.524 -6.533 3.768 1.00 0.74 C ATOM 622 O SER A 43 -10.055 -7.401 3.032 1.00 1.24 O ATOM 623 CB SER A 43 -12.207 -8.230 4.543 1.00 1.08 C ATOM 624 OG SER A 43 -13.231 -8.526 5.485 1.00 1.64 O ATOM 0 H SER A 43 -13.244 -5.855 4.273 1.00 0.67 H new ATOM 0 HA SER A 43 -10.988 -6.988 5.806 1.00 0.80 H new ATOM 0 HB2 SER A 43 -12.632 -8.193 3.540 1.00 1.08 H new ATOM 0 HB3 SER A 43 -11.465 -9.028 4.546 1.00 1.08 H new ATOM 0 HG SER A 43 -13.649 -9.382 5.256 1.00 1.64 H new ATOM 630 N GLY A 44 -10.220 -5.241 3.661 1.00 0.41 N ATOM 631 CA GLY A 44 -9.244 -4.768 2.691 1.00 0.35 C ATOM 632 C GLY A 44 -7.856 -5.337 2.936 1.00 0.44 C ATOM 633 O GLY A 44 -7.076 -4.777 3.706 1.00 0.89 O ATOM 0 H GLY A 44 -10.636 -4.507 4.234 1.00 0.41 H new ATOM 0 HA2 GLY A 44 -9.573 -5.040 1.688 1.00 0.35 H new ATOM 0 HA3 GLY A 44 -9.198 -3.680 2.728 1.00 0.35 H new ATOM 637 N SER A 45 -7.546 -6.434 2.262 1.00 0.22 N ATOM 638 CA SER A 45 -6.300 -7.153 2.470 1.00 0.25 C ATOM 639 C SER A 45 -5.401 -6.976 1.267 1.00 0.27 C ATOM 640 O SER A 45 -5.793 -7.262 0.148 1.00 0.49 O ATOM 641 CB SER A 45 -6.570 -8.635 2.689 1.00 0.30 C ATOM 642 OG SER A 45 -7.408 -8.841 3.817 1.00 0.85 O ATOM 0 H SER A 45 -8.152 -6.850 1.555 1.00 0.22 H new ATOM 0 HA SER A 45 -5.809 -6.750 3.356 1.00 0.25 H new ATOM 0 HB2 SER A 45 -7.040 -9.057 1.801 1.00 0.30 H new ATOM 0 HB3 SER A 45 -5.627 -9.162 2.832 1.00 0.30 H new ATOM 0 HG SER A 45 -7.343 -8.070 4.418 1.00 0.85 H new ATOM 648 N VAL A 46 -4.202 -6.501 1.494 1.00 0.15 N ATOM 649 CA VAL A 46 -3.332 -6.122 0.391 1.00 0.13 C ATOM 650 C VAL A 46 -1.885 -6.468 0.687 1.00 0.14 C ATOM 651 O VAL A 46 -1.304 -5.984 1.655 1.00 0.25 O ATOM 652 CB VAL A 46 -3.425 -4.614 0.100 1.00 0.16 C ATOM 653 CG1 VAL A 46 -2.796 -4.283 -1.242 1.00 0.21 C ATOM 654 CG2 VAL A 46 -4.862 -4.128 0.168 1.00 0.21 C ATOM 0 H VAL A 46 -3.801 -6.365 2.422 1.00 0.15 H new ATOM 0 HA VAL A 46 -3.669 -6.683 -0.481 1.00 0.13 H new ATOM 0 HB VAL A 46 -2.864 -4.088 0.873 1.00 0.16 H new ATOM 0 HG11 VAL A 46 -2.874 -3.211 -1.426 1.00 0.21 H new ATOM 0 HG12 VAL A 46 -1.746 -4.574 -1.233 1.00 0.21 H new ATOM 0 HG13 VAL A 46 -3.316 -4.825 -2.031 1.00 0.21 H new ATOM 0 HG21 VAL A 46 -4.895 -3.059 -0.042 1.00 0.21 H new ATOM 0 HG22 VAL A 46 -5.462 -4.661 -0.570 1.00 0.21 H new ATOM 0 HG23 VAL A 46 -5.262 -4.314 1.165 1.00 0.21 H new ATOM 664 N THR A 47 -1.318 -7.305 -0.154 1.00 0.14 N ATOM 665 CA THR A 47 0.077 -7.662 -0.064 1.00 0.14 C ATOM 666 C THR A 47 0.906 -6.734 -0.934 1.00 0.12 C ATOM 667 O THR A 47 0.915 -6.840 -2.165 1.00 0.12 O ATOM 668 CB THR A 47 0.312 -9.116 -0.497 1.00 0.16 C ATOM 669 OG1 THR A 47 -0.472 -9.999 0.317 1.00 0.19 O ATOM 670 CG2 THR A 47 1.781 -9.483 -0.382 1.00 0.17 C ATOM 0 H THR A 47 -1.815 -7.758 -0.921 1.00 0.14 H new ATOM 0 HA THR A 47 0.381 -7.562 0.978 1.00 0.14 H new ATOM 0 HB THR A 47 0.010 -9.217 -1.540 1.00 0.16 H new ATOM 0 HG1 THR A 47 -0.307 -10.926 0.046 1.00 0.19 H new ATOM 0 HG21 THR A 47 1.923 -10.518 -0.694 1.00 0.17 H new ATOM 0 HG22 THR A 47 2.371 -8.827 -1.022 1.00 0.17 H new ATOM 0 HG23 THR A 47 2.105 -9.368 0.652 1.00 0.17 H new ATOM 678 N ILE A 48 1.570 -5.807 -0.281 1.00 0.10 N ATOM 679 CA ILE A 48 2.457 -4.877 -0.938 1.00 0.10 C ATOM 680 C ILE A 48 3.877 -5.404 -0.879 1.00 0.10 C ATOM 681 O ILE A 48 4.556 -5.298 0.146 1.00 0.13 O ATOM 682 CB ILE A 48 2.377 -3.493 -0.274 1.00 0.11 C ATOM 683 CG1 ILE A 48 0.968 -2.934 -0.449 1.00 0.12 C ATOM 684 CG2 ILE A 48 3.418 -2.547 -0.864 1.00 0.13 C ATOM 685 CD1 ILE A 48 0.634 -1.814 0.510 1.00 0.15 C ATOM 0 H ILE A 48 1.508 -5.677 0.729 1.00 0.10 H new ATOM 0 HA ILE A 48 2.153 -4.774 -1.980 1.00 0.10 H new ATOM 0 HB ILE A 48 2.592 -3.591 0.790 1.00 0.11 H new ATOM 0 HG12 ILE A 48 0.855 -2.571 -1.471 1.00 0.12 H new ATOM 0 HG13 ILE A 48 0.248 -3.741 -0.316 1.00 0.12 H new ATOM 0 HG21 ILE A 48 3.342 -1.574 -0.379 1.00 0.13 H new ATOM 0 HG22 ILE A 48 4.415 -2.957 -0.702 1.00 0.13 H new ATOM 0 HG23 ILE A 48 3.242 -2.433 -1.934 1.00 0.13 H new ATOM 0 HD11 ILE A 48 -0.383 -1.468 0.325 1.00 0.15 H new ATOM 0 HD12 ILE A 48 0.713 -2.177 1.535 1.00 0.15 H new ATOM 0 HD13 ILE A 48 1.330 -0.989 0.362 1.00 0.15 H new ATOM 697 N ALA A 49 4.303 -6.001 -1.971 1.00 0.09 N ATOM 698 CA ALA A 49 5.645 -6.526 -2.075 1.00 0.10 C ATOM 699 C ALA A 49 6.608 -5.396 -2.387 1.00 0.09 C ATOM 700 O ALA A 49 6.613 -4.860 -3.497 1.00 0.11 O ATOM 701 CB ALA A 49 5.710 -7.603 -3.144 1.00 0.14 C ATOM 0 H ALA A 49 3.733 -6.135 -2.806 1.00 0.09 H new ATOM 0 HA ALA A 49 5.930 -6.979 -1.125 1.00 0.10 H new ATOM 0 HB1 ALA A 49 6.727 -7.989 -3.210 1.00 0.14 H new ATOM 0 HB2 ALA A 49 5.030 -8.415 -2.885 1.00 0.14 H new ATOM 0 HB3 ALA A 49 5.419 -7.180 -4.105 1.00 0.14 H new ATOM 707 N PHE A 50 7.403 -5.020 -1.402 1.00 0.09 N ATOM 708 CA PHE A 50 8.326 -3.912 -1.556 1.00 0.10 C ATOM 709 C PHE A 50 9.462 -4.279 -2.489 1.00 0.12 C ATOM 710 O PHE A 50 9.935 -5.416 -2.510 1.00 0.16 O ATOM 711 CB PHE A 50 8.870 -3.460 -0.205 1.00 0.11 C ATOM 712 CG PHE A 50 7.815 -2.863 0.679 1.00 0.13 C ATOM 713 CD1 PHE A 50 7.496 -3.456 1.891 1.00 0.27 C ATOM 714 CD2 PHE A 50 7.156 -1.704 0.309 1.00 0.22 C ATOM 715 CE1 PHE A 50 6.541 -2.900 2.717 1.00 0.32 C ATOM 716 CE2 PHE A 50 6.198 -1.149 1.128 1.00 0.28 C ATOM 717 CZ PHE A 50 5.838 -1.773 2.288 1.00 0.28 C ATOM 0 H PHE A 50 7.428 -5.467 -0.485 1.00 0.09 H new ATOM 0 HA PHE A 50 7.776 -3.081 -1.997 1.00 0.10 H new ATOM 0 HB2 PHE A 50 9.322 -4.312 0.302 1.00 0.11 H new ATOM 0 HB3 PHE A 50 9.661 -2.727 -0.364 1.00 0.11 H new ATOM 0 HD1 PHE A 50 8.000 -4.362 2.192 1.00 0.27 H new ATOM 0 HD2 PHE A 50 7.395 -1.230 -0.631 1.00 0.22 H new ATOM 0 HE1 PHE A 50 6.339 -3.332 3.686 1.00 0.32 H new ATOM 0 HE2 PHE A 50 5.729 -0.216 0.852 1.00 0.28 H new ATOM 0 HZ PHE A 50 5.012 -1.396 2.872 1.00 0.28 H new ATOM 727 N VAL A 51 9.908 -3.285 -3.235 1.00 0.11 N ATOM 728 CA VAL A 51 10.872 -3.467 -4.304 1.00 0.14 C ATOM 729 C VAL A 51 12.273 -3.791 -3.759 1.00 0.16 C ATOM 730 O VAL A 51 13.225 -3.962 -4.520 1.00 0.25 O ATOM 731 CB VAL A 51 10.908 -2.198 -5.190 1.00 0.15 C ATOM 732 CG1 VAL A 51 11.647 -1.059 -4.506 1.00 0.16 C ATOM 733 CG2 VAL A 51 11.498 -2.489 -6.553 1.00 0.19 C ATOM 0 H VAL A 51 9.607 -2.318 -3.114 1.00 0.11 H new ATOM 0 HA VAL A 51 10.559 -4.320 -4.906 1.00 0.14 H new ATOM 0 HB VAL A 51 9.876 -1.880 -5.337 1.00 0.15 H new ATOM 0 HG11 VAL A 51 11.652 -0.185 -5.158 1.00 0.16 H new ATOM 0 HG12 VAL A 51 11.147 -0.811 -3.570 1.00 0.16 H new ATOM 0 HG13 VAL A 51 12.673 -1.363 -4.299 1.00 0.16 H new ATOM 0 HG21 VAL A 51 11.508 -1.576 -7.148 1.00 0.19 H new ATOM 0 HG22 VAL A 51 12.517 -2.857 -6.437 1.00 0.19 H new ATOM 0 HG23 VAL A 51 10.895 -3.244 -7.057 1.00 0.19 H new ATOM 743 N ASP A 52 12.388 -3.886 -2.435 1.00 0.17 N ATOM 744 CA ASP A 52 13.675 -4.161 -1.794 1.00 0.21 C ATOM 745 C ASP A 52 13.792 -5.636 -1.424 1.00 0.24 C ATOM 746 O ASP A 52 14.884 -6.134 -1.153 1.00 0.33 O ATOM 747 CB ASP A 52 13.839 -3.314 -0.530 1.00 0.28 C ATOM 748 CG ASP A 52 15.273 -3.263 -0.048 1.00 0.56 C ATOM 749 OD1 ASP A 52 15.585 -3.901 0.981 1.00 0.75 O ATOM 750 OD2 ASP A 52 16.099 -2.586 -0.698 1.00 0.72 O ATOM 0 H ASP A 52 11.609 -3.777 -1.786 1.00 0.17 H new ATOM 0 HA ASP A 52 14.460 -3.906 -2.506 1.00 0.21 H new ATOM 0 HB2 ASP A 52 13.489 -2.301 -0.728 1.00 0.28 H new ATOM 0 HB3 ASP A 52 13.208 -3.720 0.260 1.00 0.28 H new ATOM 755 N GLY A 53 12.663 -6.333 -1.409 1.00 0.21 N ATOM 756 CA GLY A 53 12.667 -7.732 -1.023 1.00 0.26 C ATOM 757 C GLY A 53 11.759 -8.007 0.160 1.00 0.24 C ATOM 758 O GLY A 53 11.437 -9.157 0.451 1.00 0.27 O ATOM 0 H GLY A 53 11.748 -5.957 -1.656 1.00 0.21 H new ATOM 0 HA2 GLY A 53 12.350 -8.341 -1.870 1.00 0.26 H new ATOM 0 HA3 GLY A 53 13.684 -8.035 -0.775 1.00 0.26 H new ATOM 762 N THR A 54 11.351 -6.949 0.846 1.00 0.22 N ATOM 763 CA THR A 54 10.424 -7.066 1.961 1.00 0.22 C ATOM 764 C THR A 54 8.985 -7.090 1.455 1.00 0.19 C ATOM 765 O THR A 54 8.703 -6.585 0.369 1.00 0.25 O ATOM 766 CB THR A 54 10.616 -5.901 2.951 1.00 0.26 C ATOM 767 OG1 THR A 54 10.911 -4.690 2.233 1.00 0.29 O ATOM 768 CG2 THR A 54 11.743 -6.200 3.923 1.00 0.36 C ATOM 0 H THR A 54 11.650 -5.994 0.648 1.00 0.22 H new ATOM 0 HA THR A 54 10.631 -8.002 2.480 1.00 0.22 H new ATOM 0 HB THR A 54 9.691 -5.776 3.514 1.00 0.26 H new ATOM 0 HG1 THR A 54 11.030 -3.954 2.869 1.00 0.29 H new ATOM 0 HG21 THR A 54 11.860 -5.364 4.612 1.00 0.36 H new ATOM 0 HG22 THR A 54 11.508 -7.104 4.485 1.00 0.36 H new ATOM 0 HG23 THR A 54 12.671 -6.347 3.370 1.00 0.36 H new ATOM 776 N ASP A 55 8.078 -7.690 2.221 1.00 0.21 N ATOM 777 CA ASP A 55 6.679 -7.771 1.811 1.00 0.19 C ATOM 778 C ASP A 55 5.767 -7.391 2.966 1.00 0.25 C ATOM 779 O ASP A 55 5.992 -7.792 4.111 1.00 0.44 O ATOM 780 CB ASP A 55 6.309 -9.178 1.323 1.00 0.24 C ATOM 781 CG ASP A 55 7.254 -9.721 0.272 1.00 0.80 C ATOM 782 OD1 ASP A 55 7.182 -9.279 -0.891 1.00 1.51 O ATOM 783 OD2 ASP A 55 8.068 -10.607 0.603 1.00 0.80 O ATOM 0 H ASP A 55 8.284 -8.124 3.121 1.00 0.21 H new ATOM 0 HA ASP A 55 6.545 -7.072 0.985 1.00 0.19 H new ATOM 0 HB2 ASP A 55 6.297 -9.858 2.175 1.00 0.24 H new ATOM 0 HB3 ASP A 55 5.298 -9.159 0.916 1.00 0.24 H new ATOM 788 N VAL A 56 4.736 -6.624 2.661 1.00 0.16 N ATOM 789 CA VAL A 56 3.786 -6.180 3.666 1.00 0.21 C ATOM 790 C VAL A 56 2.380 -6.601 3.283 1.00 0.22 C ATOM 791 O VAL A 56 2.068 -6.738 2.109 1.00 0.30 O ATOM 792 CB VAL A 56 3.874 -4.645 3.860 1.00 0.27 C ATOM 793 CG1 VAL A 56 2.530 -3.944 3.685 1.00 1.39 C ATOM 794 CG2 VAL A 56 4.480 -4.320 5.216 1.00 1.29 C ATOM 0 H VAL A 56 4.534 -6.293 1.718 1.00 0.16 H new ATOM 0 HA VAL A 56 4.037 -6.652 4.616 1.00 0.21 H new ATOM 0 HB VAL A 56 4.524 -4.262 3.073 1.00 0.27 H new ATOM 0 HG11 VAL A 56 2.657 -2.872 3.833 1.00 1.39 H new ATOM 0 HG12 VAL A 56 2.151 -4.129 2.680 1.00 1.39 H new ATOM 0 HG13 VAL A 56 1.820 -4.330 4.417 1.00 1.39 H new ATOM 0 HG21 VAL A 56 4.536 -3.238 5.340 1.00 1.29 H new ATOM 0 HG22 VAL A 56 3.857 -4.743 6.004 1.00 1.29 H new ATOM 0 HG23 VAL A 56 5.482 -4.745 5.278 1.00 1.29 H new ATOM 804 N VAL A 57 1.544 -6.825 4.277 1.00 0.17 N ATOM 805 CA VAL A 57 0.167 -7.205 4.027 1.00 0.20 C ATOM 806 C VAL A 57 -0.779 -6.426 4.929 1.00 0.21 C ATOM 807 O VAL A 57 -0.573 -6.323 6.141 1.00 0.30 O ATOM 808 CB VAL A 57 -0.053 -8.726 4.194 1.00 0.28 C ATOM 809 CG1 VAL A 57 0.200 -9.174 5.625 1.00 0.81 C ATOM 810 CG2 VAL A 57 -1.458 -9.119 3.741 1.00 0.78 C ATOM 0 H VAL A 57 1.793 -6.751 5.263 1.00 0.17 H new ATOM 0 HA VAL A 57 -0.054 -6.955 2.989 1.00 0.20 H new ATOM 0 HB VAL A 57 0.670 -9.237 3.559 1.00 0.28 H new ATOM 0 HG11 VAL A 57 0.036 -10.249 5.704 1.00 0.81 H new ATOM 0 HG12 VAL A 57 1.228 -8.943 5.902 1.00 0.81 H new ATOM 0 HG13 VAL A 57 -0.483 -8.652 6.296 1.00 0.81 H new ATOM 0 HG21 VAL A 57 -1.593 -10.193 3.866 1.00 0.78 H new ATOM 0 HG22 VAL A 57 -2.196 -8.588 4.342 1.00 0.78 H new ATOM 0 HG23 VAL A 57 -1.588 -8.857 2.691 1.00 0.78 H new ATOM 820 N ILE A 58 -1.793 -5.843 4.321 1.00 0.18 N ATOM 821 CA ILE A 58 -2.786 -5.081 5.046 1.00 0.22 C ATOM 822 C ILE A 58 -3.971 -5.975 5.381 1.00 0.29 C ATOM 823 O ILE A 58 -4.379 -6.797 4.565 1.00 0.32 O ATOM 824 CB ILE A 58 -3.258 -3.874 4.219 1.00 0.22 C ATOM 825 CG1 ILE A 58 -2.049 -3.174 3.591 1.00 0.20 C ATOM 826 CG2 ILE A 58 -4.039 -2.914 5.104 1.00 0.29 C ATOM 827 CD1 ILE A 58 -2.412 -1.984 2.741 1.00 0.25 C ATOM 0 H ILE A 58 -1.950 -5.885 3.314 1.00 0.18 H new ATOM 0 HA ILE A 58 -2.337 -4.711 5.967 1.00 0.22 H new ATOM 0 HB ILE A 58 -3.915 -4.215 3.419 1.00 0.22 H new ATOM 0 HG12 ILE A 58 -1.375 -2.851 4.384 1.00 0.20 H new ATOM 0 HG13 ILE A 58 -1.501 -3.892 2.980 1.00 0.20 H new ATOM 0 HG21 ILE A 58 -4.370 -2.061 4.512 1.00 0.29 H new ATOM 0 HG22 ILE A 58 -4.907 -3.426 5.520 1.00 0.29 H new ATOM 0 HG23 ILE A 58 -3.400 -2.566 5.916 1.00 0.29 H new ATOM 0 HD11 ILE A 58 -1.505 -1.540 2.330 1.00 0.25 H new ATOM 0 HD12 ILE A 58 -3.061 -2.304 1.926 1.00 0.25 H new ATOM 0 HD13 ILE A 58 -2.933 -1.246 3.351 1.00 0.25 H new ATOM 839 N GLY A 59 -4.495 -5.828 6.592 1.00 0.35 N ATOM 840 CA GLY A 59 -5.598 -6.655 7.038 1.00 0.43 C ATOM 841 C GLY A 59 -6.943 -6.130 6.584 1.00 0.50 C ATOM 842 O GLY A 59 -7.708 -6.838 5.926 1.00 1.02 O ATOM 0 H GLY A 59 -4.172 -5.145 7.277 1.00 0.35 H new ATOM 0 HA2 GLY A 59 -5.462 -7.669 6.661 1.00 0.43 H new ATOM 0 HA3 GLY A 59 -5.585 -6.715 8.126 1.00 0.43 H new ATOM 846 N GLY A 60 -7.238 -4.895 6.953 1.00 0.35 N ATOM 847 CA GLY A 60 -8.482 -4.273 6.543 1.00 0.36 C ATOM 848 C GLY A 60 -8.965 -3.261 7.555 1.00 0.33 C ATOM 849 O GLY A 60 -8.573 -3.324 8.721 1.00 0.40 O ATOM 0 H GLY A 60 -6.637 -4.308 7.532 1.00 0.35 H new ATOM 0 HA2 GLY A 60 -8.343 -3.784 5.579 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -9.244 -5.040 6.405 1.00 0.36 H new ATOM 853 N ASP A 61 -9.817 -2.334 7.108 1.00 0.28 N ATOM 854 CA ASP A 61 -10.305 -1.245 7.959 1.00 0.31 C ATOM 855 C ASP A 61 -9.132 -0.515 8.623 1.00 0.29 C ATOM 856 O ASP A 61 -9.160 -0.192 9.809 1.00 0.43 O ATOM 857 CB ASP A 61 -11.286 -1.782 9.004 1.00 0.41 C ATOM 858 CG ASP A 61 -11.972 -0.684 9.794 1.00 0.87 C ATOM 859 OD1 ASP A 61 -11.864 -0.685 11.040 1.00 0.96 O ATOM 860 OD2 ASP A 61 -12.601 0.198 9.172 1.00 1.26 O ATOM 0 H ASP A 61 -10.185 -2.316 6.157 1.00 0.28 H new ATOM 0 HA ASP A 61 -10.837 -0.526 7.336 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -12.042 -2.390 8.506 1.00 0.41 H new ATOM 0 HB3 ASP A 61 -10.752 -2.438 9.692 1.00 0.41 H new ATOM 865 N SER A 62 -8.094 -0.262 7.840 1.00 0.22 N ATOM 866 CA SER A 62 -6.888 0.359 8.352 1.00 0.26 C ATOM 867 C SER A 62 -6.495 1.546 7.487 1.00 0.22 C ATOM 868 O SER A 62 -6.892 1.642 6.324 1.00 0.23 O ATOM 869 CB SER A 62 -5.751 -0.657 8.378 1.00 0.32 C ATOM 870 OG SER A 62 -4.680 -0.218 9.196 1.00 1.19 O ATOM 0 H SER A 62 -8.066 -0.479 6.844 1.00 0.22 H new ATOM 0 HA SER A 62 -7.081 0.710 9.366 1.00 0.26 H new ATOM 0 HB2 SER A 62 -6.124 -1.612 8.747 1.00 0.32 H new ATOM 0 HB3 SER A 62 -5.390 -0.826 7.364 1.00 0.32 H new ATOM 0 HG SER A 62 -3.968 -0.892 9.193 1.00 1.19 H new ATOM 876 N ILE A 63 -5.721 2.441 8.068 1.00 0.20 N ATOM 877 CA ILE A 63 -5.207 3.604 7.364 1.00 0.19 C ATOM 878 C ILE A 63 -3.768 3.850 7.791 1.00 0.24 C ATOM 879 O ILE A 63 -3.510 4.286 8.914 1.00 0.38 O ATOM 880 CB ILE A 63 -6.057 4.871 7.630 1.00 0.19 C ATOM 881 CG1 ILE A 63 -7.494 4.658 7.150 1.00 0.19 C ATOM 882 CG2 ILE A 63 -5.442 6.080 6.934 1.00 0.24 C ATOM 883 CD1 ILE A 63 -8.436 5.787 7.503 1.00 0.25 C ATOM 0 H ILE A 63 -5.429 2.384 9.044 1.00 0.20 H new ATOM 0 HA ILE A 63 -5.257 3.399 6.295 1.00 0.19 H new ATOM 0 HB ILE A 63 -6.072 5.058 8.704 1.00 0.19 H new ATOM 0 HG12 ILE A 63 -7.489 4.528 6.068 1.00 0.19 H new ATOM 0 HG13 ILE A 63 -7.876 3.732 7.580 1.00 0.19 H new ATOM 0 HG21 ILE A 63 -6.051 6.962 7.131 1.00 0.24 H new ATOM 0 HG22 ILE A 63 -4.433 6.244 7.313 1.00 0.24 H new ATOM 0 HG23 ILE A 63 -5.401 5.900 5.860 1.00 0.24 H new ATOM 0 HD11 ILE A 63 -9.434 5.559 7.128 1.00 0.25 H new ATOM 0 HD12 ILE A 63 -8.474 5.904 8.586 1.00 0.25 H new ATOM 0 HD13 ILE A 63 -8.081 6.713 7.050 1.00 0.25 H new ATOM 895 N VAL A 64 -2.834 3.549 6.909 1.00 0.15 N ATOM 896 CA VAL A 64 -1.423 3.633 7.244 1.00 0.18 C ATOM 897 C VAL A 64 -0.636 4.310 6.129 1.00 0.15 C ATOM 898 O VAL A 64 -0.905 4.098 4.947 1.00 0.13 O ATOM 899 CB VAL A 64 -0.838 2.226 7.535 1.00 0.23 C ATOM 900 CG1 VAL A 64 -0.982 1.311 6.325 1.00 0.98 C ATOM 901 CG2 VAL A 64 0.615 2.319 7.971 1.00 1.00 C ATOM 0 H VAL A 64 -3.026 3.244 5.955 1.00 0.15 H new ATOM 0 HA VAL A 64 -1.333 4.239 8.146 1.00 0.18 H new ATOM 0 HB VAL A 64 -1.410 1.792 8.355 1.00 0.23 H new ATOM 0 HG11 VAL A 64 -0.564 0.332 6.558 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -2.037 1.204 6.073 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -0.448 1.742 5.478 1.00 0.98 H new ATOM 0 HG21 VAL A 64 1.000 1.319 8.169 1.00 1.00 H new ATOM 0 HG22 VAL A 64 1.203 2.785 7.180 1.00 1.00 H new ATOM 0 HG23 VAL A 64 0.685 2.920 8.877 1.00 1.00 H new ATOM 911 N GLU A 65 0.319 5.143 6.509 1.00 0.18 N ATOM 912 CA GLU A 65 1.161 5.824 5.546 1.00 0.16 C ATOM 913 C GLU A 65 2.413 4.998 5.283 1.00 0.13 C ATOM 914 O GLU A 65 3.081 4.561 6.222 1.00 0.15 O ATOM 915 CB GLU A 65 1.523 7.220 6.062 1.00 0.22 C ATOM 916 CG GLU A 65 2.340 8.051 5.085 1.00 0.33 C ATOM 917 CD GLU A 65 2.605 9.452 5.600 1.00 0.38 C ATOM 918 OE1 GLU A 65 3.495 9.619 6.459 1.00 0.67 O ATOM 919 OE2 GLU A 65 1.925 10.396 5.141 1.00 0.45 O ATOM 0 H GLU A 65 0.529 5.363 7.483 1.00 0.18 H new ATOM 0 HA GLU A 65 0.620 5.938 4.607 1.00 0.16 H new ATOM 0 HB2 GLU A 65 0.605 7.757 6.300 1.00 0.22 H new ATOM 0 HB3 GLU A 65 2.082 7.118 6.992 1.00 0.22 H new ATOM 0 HG2 GLU A 65 3.290 7.552 4.893 1.00 0.33 H new ATOM 0 HG3 GLU A 65 1.813 8.110 4.133 1.00 0.33 H new ATOM 926 N MET A 66 2.697 4.756 4.010 1.00 0.12 N ATOM 927 CA MET A 66 3.872 3.981 3.612 1.00 0.14 C ATOM 928 C MET A 66 5.149 4.734 3.970 1.00 0.13 C ATOM 929 O MET A 66 5.671 5.508 3.167 1.00 0.17 O ATOM 930 CB MET A 66 3.851 3.679 2.106 1.00 0.19 C ATOM 931 CG MET A 66 2.544 3.074 1.614 1.00 0.30 C ATOM 932 SD MET A 66 1.896 1.794 2.711 1.00 0.88 S ATOM 933 CE MET A 66 2.949 0.411 2.303 1.00 0.31 C ATOM 0 H MET A 66 2.129 5.086 3.230 1.00 0.12 H new ATOM 0 HA MET A 66 3.849 3.035 4.154 1.00 0.14 H new ATOM 0 HB2 MET A 66 4.041 4.602 1.558 1.00 0.19 H new ATOM 0 HB3 MET A 66 4.667 2.995 1.872 1.00 0.19 H new ATOM 0 HG2 MET A 66 1.801 3.865 1.510 1.00 0.30 H new ATOM 0 HG3 MET A 66 2.698 2.649 0.622 1.00 0.30 H new ATOM 0 HE1 MET A 66 2.963 -0.293 3.135 1.00 0.31 H new ATOM 0 HE2 MET A 66 2.566 -0.087 1.412 1.00 0.31 H new ATOM 0 HE3 MET A 66 3.961 0.768 2.112 1.00 0.31 H new ATOM 943 N THR A 67 5.639 4.499 5.177 1.00 0.13 N ATOM 944 CA THR A 67 6.777 5.228 5.704 1.00 0.14 C ATOM 945 C THR A 67 8.007 4.340 5.827 1.00 0.15 C ATOM 946 O THR A 67 8.044 3.230 5.291 1.00 0.16 O ATOM 947 CB THR A 67 6.441 5.793 7.090 1.00 0.19 C ATOM 948 OG1 THR A 67 6.037 4.722 7.957 1.00 0.29 O ATOM 949 CG2 THR A 67 5.336 6.827 6.996 1.00 0.29 C ATOM 0 H THR A 67 5.259 3.800 5.815 1.00 0.13 H new ATOM 0 HA THR A 67 6.997 6.035 5.005 1.00 0.14 H new ATOM 0 HB THR A 67 7.329 6.278 7.496 1.00 0.19 H new ATOM 0 HG1 THR A 67 5.824 5.081 8.843 1.00 0.29 H new ATOM 0 HG21 THR A 67 5.114 7.214 7.991 1.00 0.29 H new ATOM 0 HG22 THR A 67 5.657 7.645 6.352 1.00 0.29 H new ATOM 0 HG23 THR A 67 4.441 6.366 6.578 1.00 0.29 H new ATOM 957 N ASP A 68 9.004 4.830 6.549 1.00 0.18 N ATOM 958 CA ASP A 68 10.235 4.082 6.775 1.00 0.23 C ATOM 959 C ASP A 68 9.963 2.869 7.656 1.00 0.25 C ATOM 960 O ASP A 68 10.580 1.818 7.488 1.00 0.34 O ATOM 961 CB ASP A 68 11.308 4.973 7.417 1.00 0.32 C ATOM 962 CG ASP A 68 11.001 5.341 8.857 1.00 1.10 C ATOM 963 OD1 ASP A 68 10.056 6.129 9.084 1.00 2.13 O ATOM 964 OD2 ASP A 68 11.698 4.842 9.768 1.00 0.96 O ATOM 0 H ASP A 68 8.985 5.749 6.992 1.00 0.18 H new ATOM 0 HA ASP A 68 10.607 3.741 5.809 1.00 0.23 H new ATOM 0 HB2 ASP A 68 12.268 4.459 7.378 1.00 0.32 H new ATOM 0 HB3 ASP A 68 11.411 5.886 6.830 1.00 0.32 H new ATOM 969 N GLU A 69 9.016 3.017 8.579 1.00 0.29 N ATOM 970 CA GLU A 69 8.633 1.929 9.472 1.00 0.39 C ATOM 971 C GLU A 69 7.893 0.854 8.693 1.00 0.35 C ATOM 972 O GLU A 69 7.882 -0.320 9.061 1.00 0.49 O ATOM 973 CB GLU A 69 7.759 2.469 10.605 1.00 0.49 C ATOM 974 CG GLU A 69 8.477 3.465 11.500 1.00 0.96 C ATOM 975 CD GLU A 69 7.577 4.038 12.571 1.00 1.71 C ATOM 976 OE1 GLU A 69 7.112 5.185 12.412 1.00 2.51 O ATOM 977 OE2 GLU A 69 7.329 3.349 13.583 1.00 1.93 O ATOM 0 H GLU A 69 8.499 3.883 8.728 1.00 0.29 H new ATOM 0 HA GLU A 69 9.531 1.487 9.905 1.00 0.39 H new ATOM 0 HB2 GLU A 69 6.877 2.946 10.178 1.00 0.49 H new ATOM 0 HB3 GLU A 69 7.407 1.635 11.212 1.00 0.49 H new ATOM 0 HG2 GLU A 69 9.330 2.976 11.971 1.00 0.96 H new ATOM 0 HG3 GLU A 69 8.872 4.277 10.890 1.00 0.96 H new ATOM 984 N ILE A 70 7.287 1.284 7.606 1.00 0.21 N ATOM 985 CA ILE A 70 6.591 0.401 6.699 1.00 0.18 C ATOM 986 C ILE A 70 7.567 -0.307 5.766 1.00 0.18 C ATOM 987 O ILE A 70 7.586 -1.534 5.673 1.00 0.24 O ATOM 988 CB ILE A 70 5.561 1.206 5.882 1.00 0.16 C ATOM 989 CG1 ILE A 70 4.243 1.320 6.644 1.00 0.18 C ATOM 990 CG2 ILE A 70 5.339 0.592 4.520 1.00 0.25 C ATOM 991 CD1 ILE A 70 3.320 0.130 6.455 1.00 0.23 C ATOM 0 H ILE A 70 7.265 2.265 7.326 1.00 0.21 H new ATOM 0 HA ILE A 70 6.075 -0.360 7.284 1.00 0.18 H new ATOM 0 HB ILE A 70 5.963 2.208 5.733 1.00 0.16 H new ATOM 0 HG12 ILE A 70 4.457 1.436 7.706 1.00 0.18 H new ATOM 0 HG13 ILE A 70 3.725 2.224 6.323 1.00 0.18 H new ATOM 0 HG21 ILE A 70 4.607 1.183 3.969 1.00 0.25 H new ATOM 0 HG22 ILE A 70 6.280 0.576 3.970 1.00 0.25 H new ATOM 0 HG23 ILE A 70 4.969 -0.427 4.636 1.00 0.25 H new ATOM 0 HD11 ILE A 70 2.405 0.285 7.027 1.00 0.23 H new ATOM 0 HD12 ILE A 70 3.074 0.025 5.398 1.00 0.23 H new ATOM 0 HD13 ILE A 70 3.817 -0.775 6.804 1.00 0.23 H new ATOM 1003 N TYR A 71 8.383 0.482 5.100 1.00 0.16 N ATOM 1004 CA TYR A 71 9.305 -0.028 4.107 1.00 0.17 C ATOM 1005 C TYR A 71 10.716 -0.085 4.677 1.00 0.27 C ATOM 1006 O TYR A 71 11.521 0.827 4.482 1.00 0.31 O ATOM 1007 CB TYR A 71 9.250 0.857 2.857 1.00 0.15 C ATOM 1008 CG TYR A 71 10.079 0.365 1.695 1.00 0.13 C ATOM 1009 CD1 TYR A 71 10.578 -0.920 1.705 1.00 0.15 C ATOM 1010 CD2 TYR A 71 10.359 1.167 0.595 1.00 0.13 C ATOM 1011 CE1 TYR A 71 11.330 -1.402 0.659 1.00 0.17 C ATOM 1012 CE2 TYR A 71 11.113 0.691 -0.453 1.00 0.14 C ATOM 1013 CZ TYR A 71 11.603 -0.478 -0.461 1.00 0.15 C ATOM 1014 OH TYR A 71 12.342 -1.084 -1.459 1.00 0.21 O ATOM 0 H TYR A 71 8.426 1.493 5.231 1.00 0.16 H new ATOM 0 HA TYR A 71 9.017 -1.042 3.829 1.00 0.17 H new ATOM 0 HB2 TYR A 71 8.212 0.942 2.534 1.00 0.15 H new ATOM 0 HB3 TYR A 71 9.584 1.860 3.124 1.00 0.15 H new ATOM 0 HD1 TYR A 71 10.375 -1.561 2.550 1.00 0.15 H new ATOM 0 HD2 TYR A 71 9.980 2.178 0.562 1.00 0.13 H new ATOM 0 HE1 TYR A 71 11.706 -2.415 0.657 1.00 0.17 H new ATOM 0 HE2 TYR A 71 11.294 1.337 -1.299 1.00 0.14 H new ATOM 0 HH TYR A 71 13.007 -0.452 -1.803 1.00 0.21 H new ATOM 1024 N ASN A 72 10.995 -1.153 5.408 1.00 0.40 N ATOM 1025 CA ASN A 72 12.338 -1.393 5.916 1.00 0.53 C ATOM 1026 C ASN A 72 13.250 -1.837 4.778 1.00 0.46 C ATOM 1027 O ASN A 72 13.065 -2.913 4.202 1.00 0.61 O ATOM 1028 CB ASN A 72 12.330 -2.448 7.022 1.00 0.79 C ATOM 1029 CG ASN A 72 13.686 -2.590 7.691 1.00 0.96 C ATOM 1030 OD1 ASN A 72 14.524 -3.391 7.276 1.00 1.34 O ATOM 1031 ND2 ASN A 72 13.912 -1.814 8.738 1.00 1.46 N ATOM 0 H ASN A 72 10.312 -1.866 5.663 1.00 0.40 H new ATOM 0 HA ASN A 72 12.714 -0.462 6.340 1.00 0.53 H new ATOM 0 HB2 ASN A 72 11.584 -2.181 7.771 1.00 0.79 H new ATOM 0 HB3 ASN A 72 12.031 -3.409 6.603 1.00 0.79 H new ATOM 0 HD21 ASN A 72 14.804 -1.868 9.230 1.00 1.46 H new ATOM 0 HD22 ASN A 72 13.194 -1.162 9.054 1.00 1.46 H new ATOM 1038 N THR A 73 14.214 -0.998 4.445 1.00 0.40 N ATOM 1039 CA THR A 73 15.139 -1.282 3.364 1.00 0.42 C ATOM 1040 C THR A 73 16.404 -1.950 3.890 1.00 0.58 C ATOM 1041 O THR A 73 16.902 -1.590 4.958 1.00 0.69 O ATOM 1042 CB THR A 73 15.514 0.011 2.619 1.00 0.51 C ATOM 1043 OG1 THR A 73 15.944 1.007 3.559 1.00 0.66 O ATOM 1044 CG2 THR A 73 14.332 0.538 1.817 1.00 0.43 C ATOM 0 H THR A 73 14.377 -0.106 4.913 1.00 0.40 H new ATOM 0 HA THR A 73 14.642 -1.963 2.673 1.00 0.42 H new ATOM 0 HB THR A 73 16.327 -0.214 1.928 1.00 0.51 H new ATOM 0 HG1 THR A 73 16.183 1.828 3.080 1.00 0.66 H new ATOM 0 HG21 THR A 73 14.622 1.452 1.300 1.00 0.43 H new ATOM 0 HG22 THR A 73 14.025 -0.211 1.087 1.00 0.43 H new ATOM 0 HG23 THR A 73 13.501 0.750 2.490 1.00 0.43 H new ATOM 1052 N GLY A 74 16.912 -2.925 3.149 1.00 0.69 N ATOM 1053 CA GLY A 74 18.134 -3.599 3.543 1.00 0.90 C ATOM 1054 C GLY A 74 17.905 -4.624 4.635 1.00 1.46 C ATOM 1055 O GLY A 74 18.776 -4.854 5.475 1.00 1.91 O ATOM 0 H GLY A 74 16.499 -3.262 2.280 1.00 0.69 H new ATOM 0 HA2 GLY A 74 18.571 -4.091 2.674 1.00 0.90 H new ATOM 0 HA3 GLY A 74 18.857 -2.860 3.888 1.00 0.90 H new ATOM 1059 N ASP A 75 16.731 -5.241 4.622 1.00 2.07 N ATOM 1060 CA ASP A 75 16.376 -6.243 5.624 1.00 3.16 C ATOM 1061 C ASP A 75 17.019 -7.588 5.305 1.00 3.74 C ATOM 1062 O ASP A 75 17.565 -8.244 6.190 1.00 4.38 O ATOM 1063 CB ASP A 75 14.855 -6.398 5.705 1.00 3.92 C ATOM 1064 CG ASP A 75 14.431 -7.601 6.526 1.00 4.89 C ATOM 1065 OD1 ASP A 75 13.985 -8.607 5.938 1.00 5.30 O ATOM 1066 OD2 ASP A 75 14.556 -7.552 7.770 1.00 5.57 O ATOM 0 H ASP A 75 16.005 -5.066 3.927 1.00 2.07 H new ATOM 0 HA ASP A 75 16.752 -5.902 6.589 1.00 3.16 H new ATOM 0 HB2 ASP A 75 14.425 -5.496 6.141 1.00 3.92 H new ATOM 0 HB3 ASP A 75 14.449 -6.490 4.697 1.00 3.92 H new ATOM 1071 N ASN A 76 16.945 -7.977 4.033 1.00 4.05 N ATOM 1072 CA ASN A 76 17.496 -9.249 3.557 1.00 5.07 C ATOM 1073 C ASN A 76 16.684 -10.419 4.093 1.00 5.95 C ATOM 1074 O ASN A 76 15.718 -10.820 3.415 1.00 6.53 O ATOM 1075 CB ASN A 76 18.977 -9.413 3.931 1.00 5.51 C ATOM 1076 CG ASN A 76 19.904 -8.563 3.082 1.00 6.35 C ATOM 1077 OD1 ASN A 76 19.431 -7.404 2.656 1.00 6.87 O flip ATOM 1078 ND2 ASN A 76 21.043 -8.943 2.815 1.00 6.80 N flip ATOM 0 H ASN A 76 16.502 -7.421 3.302 1.00 4.05 H new ATOM 0 HA ASN A 76 17.432 -9.240 2.469 1.00 5.07 H new ATOM 0 HB2 ASN A 76 19.112 -9.150 4.980 1.00 5.51 H new ATOM 0 HB3 ASN A 76 19.258 -10.461 3.827 1.00 5.51 H new ATOM 0 HD21 ASN A 76 21.374 -9.843 3.161 1.00 6.80 H new ATOM 0 HD22 ASN A 76 21.656 -8.358 2.248 1.00 6.80 H new TER 1085 ASN A 76