USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 725 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 37 MET CE :methyl 144:sc= -0.0812 (180deg=-2.24) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= -0.24 USER MOD Single : A 5 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.243) USER MOD Single : A 7 ASN : amide:sc= -2.7! C(o=-2.7!,f=-6.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 66:sc= -1.05 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0985 X(o=-0.098,f=-0.32) USER MOD Single : A 24 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.45) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0.018) USER MOD Single : A 28 ASN : amide:sc= -2.04 K(o=-2,f=-8.8!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -142:sc= -1.87 (180deg=-3.35!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.01) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 30:sc= -1.26 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0.0073) USER MOD Single : A 72 GLN :FLIP amide:sc= 1.09 F(o=0,f=1.1) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0493 USER MOD Single : A 79 ASN : amide:sc= -0.0777 X(o=-0.078,f=-0.47) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -10.499 -12.652 -9.733 1.00 0.00 N ATOM 31 CA LEU A 3 -10.049 -12.465 -8.358 1.00 0.00 C ATOM 32 C LEU A 3 -10.858 -13.333 -7.399 1.00 0.00 C ATOM 33 O LEU A 3 -12.044 -13.091 -7.175 1.00 0.00 O ATOM 34 CB LEU A 3 -10.169 -10.993 -7.956 1.00 0.00 C ATOM 35 CG LEU A 3 -8.958 -10.127 -8.306 1.00 0.00 C ATOM 36 CD1 LEU A 3 -9.392 -8.701 -8.609 1.00 0.00 C ATOM 37 CD2 LEU A 3 -7.944 -10.147 -7.171 1.00 0.00 C ATOM 0 HA LEU A 3 -9.003 -12.767 -8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.050 -10.571 -8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.337 -10.938 -6.880 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.485 -10.539 -9.198 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.517 -8.099 -8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.082 -8.702 -9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.888 -8.278 -7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.089 -9.526 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.406 -9.759 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.610 -11.170 -6.999 1.00 0.00 H new ATOM 49 N LEU A 4 -10.208 -14.347 -6.836 1.00 0.00 N ATOM 50 CA LEU A 4 -10.867 -15.251 -5.901 1.00 0.00 C ATOM 51 C LEU A 4 -11.386 -14.493 -4.683 1.00 0.00 C ATOM 52 O LEU A 4 -10.883 -13.421 -4.347 1.00 0.00 O ATOM 53 CB LEU A 4 -9.901 -16.352 -5.457 1.00 0.00 C ATOM 54 CG LEU A 4 -10.541 -17.724 -5.234 1.00 0.00 C ATOM 55 CD1 LEU A 4 -11.267 -18.183 -6.489 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.488 -18.741 -4.823 1.00 0.00 C ATOM 0 H LEU A 4 -9.227 -14.563 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.716 -15.705 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.117 -16.451 -6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.418 -16.039 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.270 -17.639 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.716 -19.160 -6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.048 -17.465 -6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.558 -18.253 -7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.960 -19.711 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.736 -18.824 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.012 -18.418 -3.897 1.00 0.00 H new ATOM 68 N LYS A 5 -12.395 -15.057 -4.028 1.00 0.00 N ATOM 69 CA LYS A 5 -12.982 -14.433 -2.847 1.00 0.00 C ATOM 70 C LYS A 5 -11.941 -14.264 -1.746 1.00 0.00 C ATOM 71 O LYS A 5 -11.789 -13.181 -1.183 1.00 0.00 O ATOM 72 CB LYS A 5 -14.156 -15.269 -2.334 1.00 0.00 C ATOM 73 CG LYS A 5 -15.272 -14.438 -1.722 1.00 0.00 C ATOM 74 CD LYS A 5 -16.375 -14.158 -2.730 1.00 0.00 C ATOM 75 CE LYS A 5 -15.945 -13.114 -3.747 1.00 0.00 C ATOM 76 NZ LYS A 5 -15.451 -13.736 -5.007 1.00 0.00 N ATOM 0 H LYS A 5 -12.823 -15.944 -4.294 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.345 -13.445 -3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.561 -15.856 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.790 -15.976 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.688 -14.963 -0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.866 -13.496 -1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.642 -15.081 -3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.268 -13.814 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.786 -12.458 -3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.160 -12.491 -3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.547 -13.299 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.312 -14.756 -4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.149 -13.588 -5.764 1.00 0.00 H new ATOM 90 N ALA A 6 -11.229 -15.344 -1.442 1.00 0.00 N ATOM 91 CA ALA A 6 -10.202 -15.316 -0.408 1.00 0.00 C ATOM 92 C ALA A 6 -9.005 -14.478 -0.844 1.00 0.00 C ATOM 93 O ALA A 6 -8.420 -13.750 -0.042 1.00 0.00 O ATOM 94 CB ALA A 6 -9.761 -16.730 -0.065 1.00 0.00 C ATOM 0 H ALA A 6 -11.345 -16.249 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.630 -14.854 0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.994 -16.694 0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.616 -17.300 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.356 -17.211 -0.955 1.00 0.00 H new ATOM 100 N ASN A 7 -8.646 -14.585 -2.119 1.00 0.00 N ATOM 101 CA ASN A 7 -7.518 -13.837 -2.661 1.00 0.00 C ATOM 102 C ASN A 7 -7.789 -12.337 -2.620 1.00 0.00 C ATOM 103 O ASN A 7 -6.952 -11.558 -2.165 1.00 0.00 O ATOM 104 CB ASN A 7 -7.232 -14.276 -4.098 1.00 0.00 C ATOM 105 CG ASN A 7 -6.350 -15.507 -4.163 1.00 0.00 C ATOM 106 OD1 ASN A 7 -5.302 -15.502 -4.808 1.00 0.00 O ATOM 107 ND2 ASN A 7 -6.773 -16.574 -3.492 1.00 0.00 N ATOM 0 H ASN A 7 -9.120 -15.183 -2.796 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.645 -14.047 -2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.174 -14.481 -4.607 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.751 -13.459 -4.635 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.222 -17.432 -3.499 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.648 -16.534 -2.970 1.00 0.00 H new ATOM 114 N LYS A 8 -8.965 -11.940 -3.096 1.00 0.00 N ATOM 115 CA LYS A 8 -9.346 -10.533 -3.112 1.00 0.00 C ATOM 116 C LYS A 8 -9.663 -10.040 -1.704 1.00 0.00 C ATOM 117 O LYS A 8 -9.424 -8.878 -1.375 1.00 0.00 O ATOM 118 CB LYS A 8 -10.557 -10.322 -4.024 1.00 0.00 C ATOM 119 CG LYS A 8 -10.725 -8.885 -4.488 1.00 0.00 C ATOM 120 CD LYS A 8 -12.177 -8.571 -4.811 1.00 0.00 C ATOM 121 CE LYS A 8 -12.291 -7.549 -5.930 1.00 0.00 C ATOM 122 NZ LYS A 8 -13.684 -7.046 -6.086 1.00 0.00 N ATOM 0 H LYS A 8 -9.670 -12.573 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.504 -9.958 -3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.461 -10.968 -4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.458 -10.632 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.369 -8.207 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.109 -8.712 -5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.693 -9.487 -5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.675 -8.192 -3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.624 -6.712 -5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.961 -7.998 -6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.718 -6.351 -6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.317 -7.841 -6.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.991 -6.594 -5.201 1.00 0.00 H new ATOM 136 N ASP A 9 -10.202 -10.930 -0.878 1.00 0.00 N ATOM 137 CA ASP A 9 -10.551 -10.585 0.495 1.00 0.00 C ATOM 138 C ASP A 9 -9.315 -10.161 1.282 1.00 0.00 C ATOM 139 O ASP A 9 -9.397 -9.326 2.184 1.00 0.00 O ATOM 140 CB ASP A 9 -11.225 -11.772 1.185 1.00 0.00 C ATOM 141 CG ASP A 9 -12.728 -11.781 0.985 1.00 0.00 C ATOM 142 OD1 ASP A 9 -13.184 -11.377 -0.105 1.00 0.00 O ATOM 143 OD2 ASP A 9 -13.450 -12.190 1.919 1.00 0.00 O ATOM 0 H ASP A 9 -10.407 -11.896 -1.135 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.246 -9.746 0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.804 -12.700 0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.004 -11.742 2.252 1.00 0.00 H new ATOM 148 N LEU A 10 -8.172 -10.744 0.938 1.00 0.00 N ATOM 149 CA LEU A 10 -6.918 -10.431 1.611 1.00 0.00 C ATOM 150 C LEU A 10 -6.421 -9.040 1.223 1.00 0.00 C ATOM 151 O LEU A 10 -6.062 -8.237 2.083 1.00 0.00 O ATOM 152 CB LEU A 10 -5.863 -11.483 1.267 1.00 0.00 C ATOM 153 CG LEU A 10 -5.488 -12.423 2.414 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.481 -13.461 1.946 1.00 0.00 C ATOM 155 CD2 LEU A 10 -4.936 -11.632 3.590 1.00 0.00 C ATOM 0 H LEU A 10 -8.089 -11.438 0.195 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.095 -10.440 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.227 -12.081 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.962 -10.974 0.925 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.388 -12.944 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.226 -14.121 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.913 -14.048 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.580 -12.960 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.674 -12.316 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.047 -11.085 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.690 -10.928 3.941 1.00 0.00 H new ATOM 167 N ILE A 11 -6.401 -8.766 -0.078 1.00 0.00 N ATOM 168 CA ILE A 11 -5.944 -7.474 -0.577 1.00 0.00 C ATOM 169 C ILE A 11 -6.863 -6.348 -0.114 1.00 0.00 C ATOM 170 O ILE A 11 -6.410 -5.235 0.153 1.00 0.00 O ATOM 171 CB ILE A 11 -5.866 -7.460 -2.117 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.059 -8.658 -2.622 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.250 -6.157 -2.606 1.00 0.00 C ATOM 174 CD1 ILE A 11 -4.927 -8.707 -4.129 1.00 0.00 C ATOM 0 H ILE A 11 -6.695 -9.420 -0.804 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.946 -7.314 -0.170 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.878 -7.534 -2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.063 -8.628 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.533 -9.577 -2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.202 -6.163 -3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.862 -5.318 -2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.244 -6.055 -2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.343 -9.582 -4.415 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.918 -8.769 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.425 -7.805 -4.480 1.00 0.00 H new ATOM 186 N SER A 12 -8.156 -6.644 -0.019 1.00 0.00 N ATOM 187 CA SER A 12 -9.134 -5.653 0.415 1.00 0.00 C ATOM 188 C SER A 12 -8.786 -5.116 1.799 1.00 0.00 C ATOM 189 O SER A 12 -8.906 -3.919 2.059 1.00 0.00 O ATOM 190 CB SER A 12 -10.538 -6.261 0.428 1.00 0.00 C ATOM 191 OG SER A 12 -10.484 -7.664 0.622 1.00 0.00 O ATOM 0 H SER A 12 -8.550 -7.560 -0.236 1.00 0.00 H new ATOM 0 HA SER A 12 -9.113 -4.824 -0.293 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.129 -5.803 1.222 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.042 -6.040 -0.513 1.00 0.00 H new ATOM 0 HG SER A 12 -10.131 -7.857 1.516 1.00 0.00 H new ATOM 197 N ALA A 13 -8.351 -6.009 2.682 1.00 0.00 N ATOM 198 CA ALA A 13 -7.981 -5.622 4.038 1.00 0.00 C ATOM 199 C ALA A 13 -6.843 -4.609 4.021 1.00 0.00 C ATOM 200 O ALA A 13 -6.912 -3.570 4.678 1.00 0.00 O ATOM 201 CB ALA A 13 -7.590 -6.848 4.848 1.00 0.00 C ATOM 0 H ALA A 13 -8.246 -7.004 2.483 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.845 -5.153 4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.316 -6.544 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.432 -7.539 4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.741 -7.341 4.375 1.00 0.00 H new ATOM 207 N GLY A 14 -5.795 -4.919 3.264 1.00 0.00 N ATOM 208 CA GLY A 14 -4.657 -4.025 3.172 1.00 0.00 C ATOM 209 C GLY A 14 -4.991 -2.737 2.445 1.00 0.00 C ATOM 210 O GLY A 14 -4.463 -1.675 2.775 1.00 0.00 O ATOM 0 H GLY A 14 -5.714 -5.774 2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.300 -3.791 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.842 -4.531 2.654 1.00 0.00 H new ATOM 214 N LEU A 15 -5.870 -2.831 1.453 1.00 0.00 N ATOM 215 CA LEU A 15 -6.273 -1.666 0.675 1.00 0.00 C ATOM 216 C LEU A 15 -6.957 -0.628 1.560 1.00 0.00 C ATOM 217 O LEU A 15 -6.616 0.554 1.525 1.00 0.00 O ATOM 218 CB LEU A 15 -7.211 -2.087 -0.461 1.00 0.00 C ATOM 219 CG LEU A 15 -6.744 -1.697 -1.864 1.00 0.00 C ATOM 220 CD1 LEU A 15 -7.706 -2.229 -2.914 1.00 0.00 C ATOM 221 CD2 LEU A 15 -6.607 -0.186 -1.978 1.00 0.00 C ATOM 0 H LEU A 15 -6.317 -3.703 1.169 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.376 -1.216 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.338 -3.169 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.192 -1.645 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.766 -2.145 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.357 -1.942 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.753 -3.316 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.698 -1.811 -2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.274 0.074 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.572 0.283 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.877 0.169 -1.250 1.00 0.00 H new ATOM 233 N LYS A 16 -7.924 -1.078 2.353 1.00 0.00 N ATOM 234 CA LYS A 16 -8.656 -0.187 3.245 1.00 0.00 C ATOM 235 C LYS A 16 -7.750 0.347 4.350 1.00 0.00 C ATOM 236 O LYS A 16 -7.746 1.542 4.640 1.00 0.00 O ATOM 237 CB LYS A 16 -9.854 -0.915 3.860 1.00 0.00 C ATOM 238 CG LYS A 16 -9.471 -2.152 4.656 1.00 0.00 C ATOM 239 CD LYS A 16 -10.700 -2.872 5.189 1.00 0.00 C ATOM 240 CE LYS A 16 -10.978 -2.501 6.636 1.00 0.00 C ATOM 241 NZ LYS A 16 -11.513 -3.655 7.413 1.00 0.00 N ATOM 0 H LYS A 16 -8.219 -2.054 2.396 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.015 0.657 2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.392 -0.226 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.541 -1.203 3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.896 -2.829 4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.826 -1.866 5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.565 -2.621 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.555 -3.949 5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.060 -2.144 7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.693 -1.679 6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.689 -3.361 8.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.403 -3.980 6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.821 -4.431 7.403 1.00 0.00 H new ATOM 255 N GLU A 17 -6.981 -0.548 4.963 1.00 0.00 N ATOM 256 CA GLU A 17 -6.070 -0.166 6.036 1.00 0.00 C ATOM 257 C GLU A 17 -5.051 0.858 5.547 1.00 0.00 C ATOM 258 O GLU A 17 -4.597 1.709 6.312 1.00 0.00 O ATOM 259 CB GLU A 17 -5.350 -1.398 6.586 1.00 0.00 C ATOM 260 CG GLU A 17 -6.091 -2.080 7.724 1.00 0.00 C ATOM 261 CD GLU A 17 -5.238 -3.106 8.444 1.00 0.00 C ATOM 262 OE1 GLU A 17 -4.720 -4.023 7.772 1.00 0.00 O ATOM 263 OE2 GLU A 17 -5.089 -2.993 9.679 1.00 0.00 O ATOM 0 H GLU A 17 -6.971 -1.542 4.735 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.659 0.287 6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.205 -2.114 5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.359 -1.104 6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.426 -1.327 8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.984 -2.567 7.331 1.00 0.00 H new ATOM 270 N PHE A 18 -4.695 0.772 4.269 1.00 0.00 N ATOM 271 CA PHE A 18 -3.729 1.696 3.684 1.00 0.00 C ATOM 272 C PHE A 18 -4.220 3.135 3.807 1.00 0.00 C ATOM 273 O PHE A 18 -3.497 4.009 4.286 1.00 0.00 O ATOM 274 CB PHE A 18 -3.482 1.352 2.216 1.00 0.00 C ATOM 275 CG PHE A 18 -2.070 1.608 1.771 1.00 0.00 C ATOM 276 CD1 PHE A 18 -1.032 0.809 2.223 1.00 0.00 C ATOM 277 CD2 PHE A 18 -1.781 2.647 0.901 1.00 0.00 C ATOM 278 CE1 PHE A 18 0.269 1.042 1.817 1.00 0.00 C ATOM 279 CE2 PHE A 18 -0.483 2.886 0.492 1.00 0.00 C ATOM 280 CZ PHE A 18 0.543 2.082 0.950 1.00 0.00 C ATOM 0 H PHE A 18 -5.059 0.074 3.620 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.791 1.599 4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.722 0.301 2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.162 1.935 1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.242 -0.005 2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.580 3.277 0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.069 0.412 2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.271 3.700 -0.185 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.558 2.266 0.631 1.00 0.00 H new ATOM 290 N SER A 19 -5.456 3.372 3.380 1.00 0.00 N ATOM 291 CA SER A 19 -6.046 4.702 3.453 1.00 0.00 C ATOM 292 C SER A 19 -6.315 5.085 4.904 1.00 0.00 C ATOM 293 O SER A 19 -6.242 6.257 5.275 1.00 0.00 O ATOM 294 CB SER A 19 -7.347 4.754 2.649 1.00 0.00 C ATOM 295 OG SER A 19 -7.572 6.050 2.125 1.00 0.00 O ATOM 0 H SER A 19 -6.067 2.660 2.980 1.00 0.00 H new ATOM 0 HA SER A 19 -5.340 5.415 3.026 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.303 4.032 1.834 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.183 4.466 3.286 1.00 0.00 H new ATOM 0 HG SER A 19 -8.408 6.056 1.614 1.00 0.00 H new ATOM 301 N VAL A 20 -6.624 4.082 5.721 1.00 0.00 N ATOM 302 CA VAL A 20 -6.903 4.299 7.134 1.00 0.00 C ATOM 303 C VAL A 20 -5.686 4.883 7.846 1.00 0.00 C ATOM 304 O VAL A 20 -5.810 5.801 8.658 1.00 0.00 O ATOM 305 CB VAL A 20 -7.316 2.983 7.825 1.00 0.00 C ATOM 306 CG1 VAL A 20 -7.601 3.209 9.303 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.525 2.374 7.131 1.00 0.00 C ATOM 0 H VAL A 20 -6.687 3.108 5.425 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.729 5.008 7.198 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.484 2.283 7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.890 2.266 9.766 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.706 3.594 9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.412 3.930 9.411 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.803 1.446 7.631 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.360 3.074 7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.280 2.165 6.090 1.00 0.00 H new ATOM 317 N LEU A 21 -4.511 4.347 7.534 1.00 0.00 N ATOM 318 CA LEU A 21 -3.271 4.815 8.143 1.00 0.00 C ATOM 319 C LEU A 21 -2.913 6.210 7.641 1.00 0.00 C ATOM 320 O LEU A 21 -2.388 7.034 8.389 1.00 0.00 O ATOM 321 CB LEU A 21 -2.129 3.842 7.840 1.00 0.00 C ATOM 322 CG LEU A 21 -0.763 4.256 8.387 1.00 0.00 C ATOM 323 CD1 LEU A 21 -0.551 3.689 9.782 1.00 0.00 C ATOM 324 CD2 LEU A 21 0.346 3.798 7.450 1.00 0.00 C ATOM 0 H LEU A 21 -4.391 3.588 6.863 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.420 4.863 9.222 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.386 2.865 8.249 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.050 3.724 6.759 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.733 5.344 8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.427 3.995 10.154 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.327 4.065 10.449 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.601 2.601 9.744 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.312 4.101 7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.317 2.713 7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.205 4.252 6.469 1.00 0.00 H new ATOM 336 N LEU A 22 -3.200 6.467 6.369 1.00 0.00 N ATOM 337 CA LEU A 22 -2.909 7.762 5.765 1.00 0.00 C ATOM 338 C LEU A 22 -3.818 8.846 6.335 1.00 0.00 C ATOM 339 O LEU A 22 -3.435 10.015 6.409 1.00 0.00 O ATOM 340 CB LEU A 22 -3.075 7.690 4.246 1.00 0.00 C ATOM 341 CG LEU A 22 -2.121 6.729 3.535 1.00 0.00 C ATOM 342 CD1 LEU A 22 -2.678 6.333 2.177 1.00 0.00 C ATOM 343 CD2 LEU A 22 -0.745 7.360 3.386 1.00 0.00 C ATOM 0 H LEU A 22 -3.634 5.795 5.736 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.876 8.018 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.099 7.393 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.935 8.689 3.833 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.023 5.828 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.986 5.649 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.642 5.842 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.806 7.224 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.078 6.663 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.826 8.276 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.343 7.594 4.372 1.00 0.00 H new ATOM 355 N ASN A 23 -5.022 8.454 6.736 1.00 0.00 N ATOM 356 CA ASN A 23 -5.985 9.393 7.299 1.00 0.00 C ATOM 357 C ASN A 23 -5.421 10.076 8.541 1.00 0.00 C ATOM 358 O ASN A 23 -5.766 11.217 8.844 1.00 0.00 O ATOM 359 CB ASN A 23 -7.288 8.671 7.647 1.00 0.00 C ATOM 360 CG ASN A 23 -8.272 8.666 6.493 1.00 0.00 C ATOM 361 OD1 ASN A 23 -8.666 7.608 6.003 1.00 0.00 O ATOM 362 ND2 ASN A 23 -8.673 9.853 6.052 1.00 0.00 N ATOM 0 H ASN A 23 -5.355 7.491 6.682 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.189 10.157 6.549 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.065 7.644 7.935 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.747 9.152 8.511 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.334 9.913 5.277 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.320 10.705 6.488 1.00 0.00 H new ATOM 369 N GLN A 24 -4.552 9.369 9.256 1.00 0.00 N ATOM 370 CA GLN A 24 -3.940 9.908 10.466 1.00 0.00 C ATOM 371 C GLN A 24 -2.919 10.990 10.126 1.00 0.00 C ATOM 372 O GLN A 24 -2.688 11.908 10.913 1.00 0.00 O ATOM 373 CB GLN A 24 -3.269 8.790 11.265 1.00 0.00 C ATOM 374 CG GLN A 24 -4.248 7.923 12.039 1.00 0.00 C ATOM 375 CD GLN A 24 -3.873 6.454 12.011 1.00 0.00 C ATOM 376 OE1 GLN A 24 -4.455 5.667 11.265 1.00 0.00 O ATOM 377 NE2 GLN A 24 -2.896 6.077 12.827 1.00 0.00 N ATOM 0 H GLN A 24 -4.256 8.422 9.019 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.728 10.356 11.072 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.699 8.159 10.583 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.557 9.231 11.963 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.290 8.264 13.073 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.247 8.047 11.621 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.441 6.763 13.429 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.601 5.101 12.852 1.00 0.00 H new ATOM 386 N GLN A 25 -2.311 10.876 8.949 1.00 0.00 N ATOM 387 CA GLN A 25 -1.314 11.846 8.506 1.00 0.00 C ATOM 388 C GLN A 25 -1.900 13.254 8.466 1.00 0.00 C ATOM 389 O GLN A 25 -2.897 13.503 7.789 1.00 0.00 O ATOM 390 CB GLN A 25 -0.781 11.465 7.124 1.00 0.00 C ATOM 391 CG GLN A 25 0.049 10.191 7.123 1.00 0.00 C ATOM 392 CD GLN A 25 1.518 10.451 7.391 1.00 0.00 C ATOM 393 OE1 GLN A 25 2.231 10.985 6.542 1.00 0.00 O ATOM 394 NE2 GLN A 25 1.978 10.073 8.579 1.00 0.00 N ATOM 0 H GLN A 25 -2.491 10.123 8.285 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.492 11.835 9.222 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.621 11.342 6.441 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.174 12.285 6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.339 9.509 7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.058 9.693 6.159 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.351 9.634 9.253 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.958 10.222 8.817 1.00 0.00 H new ATOM 403 N VAL A 26 -1.274 14.171 9.197 1.00 0.00 N ATOM 404 CA VAL A 26 -1.732 15.555 9.245 1.00 0.00 C ATOM 405 C VAL A 26 -0.917 16.439 8.307 1.00 0.00 C ATOM 406 O VAL A 26 -1.418 17.438 7.792 1.00 0.00 O ATOM 407 CB VAL A 26 -1.646 16.125 10.673 1.00 0.00 C ATOM 408 CG1 VAL A 26 -2.315 17.490 10.744 1.00 0.00 C ATOM 409 CG2 VAL A 26 -2.272 15.164 11.672 1.00 0.00 C ATOM 0 H VAL A 26 -0.448 13.981 9.764 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.773 15.554 8.923 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.594 16.247 10.933 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.245 17.877 11.760 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.816 18.176 10.059 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.364 17.396 10.463 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.201 15.585 12.675 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.320 15.006 11.418 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.744 14.211 11.640 1.00 0.00 H new ATOM 419 N PHE A 27 0.344 16.064 8.093 1.00 0.00 N ATOM 420 CA PHE A 27 1.241 16.818 7.217 1.00 0.00 C ATOM 421 C PHE A 27 1.121 18.322 7.457 1.00 0.00 C ATOM 422 O PHE A 27 0.961 19.102 6.519 1.00 0.00 O ATOM 423 CB PHE A 27 0.955 16.494 5.746 1.00 0.00 C ATOM 424 CG PHE A 27 -0.496 16.607 5.370 1.00 0.00 C ATOM 425 CD1 PHE A 27 -1.344 15.519 5.499 1.00 0.00 C ATOM 426 CD2 PHE A 27 -1.010 17.799 4.887 1.00 0.00 C ATOM 427 CE1 PHE A 27 -2.679 15.618 5.152 1.00 0.00 C ATOM 428 CE2 PHE A 27 -2.343 17.905 4.539 1.00 0.00 C ATOM 429 CZ PHE A 27 -3.178 16.813 4.673 1.00 0.00 C ATOM 0 H PHE A 27 0.769 15.239 8.516 1.00 0.00 H new ATOM 0 HA PHE A 27 2.262 16.518 7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.537 17.166 5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.298 15.481 5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.958 14.583 5.875 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.361 18.656 4.781 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.330 14.762 5.255 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.731 18.840 4.163 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.221 16.894 4.403 1.00 0.00 H new ATOM 439 N ASN A 28 1.200 18.720 8.724 1.00 0.00 N ATOM 440 CA ASN A 28 1.099 20.129 9.091 1.00 0.00 C ATOM 441 C ASN A 28 2.464 20.700 9.474 1.00 0.00 C ATOM 442 O ASN A 28 2.644 21.918 9.519 1.00 0.00 O ATOM 443 CB ASN A 28 0.117 20.303 10.251 1.00 0.00 C ATOM 444 CG ASN A 28 0.516 19.496 11.471 1.00 0.00 C ATOM 445 OD1 ASN A 28 0.172 18.319 11.590 1.00 0.00 O ATOM 446 ND2 ASN A 28 1.244 20.125 12.386 1.00 0.00 N ATOM 0 H ASN A 28 1.334 18.087 9.513 1.00 0.00 H new ATOM 0 HA ASN A 28 0.732 20.677 8.223 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.059 21.358 10.519 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.879 20.001 9.929 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.541 19.632 13.228 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.506 21.101 12.246 1.00 0.00 H new ATOM 453 N ASP A 29 3.422 19.820 9.753 1.00 0.00 N ATOM 454 CA ASP A 29 4.764 20.246 10.134 1.00 0.00 C ATOM 455 C ASP A 29 5.821 19.379 9.503 1.00 0.00 C ATOM 456 O ASP A 29 6.628 18.762 10.198 1.00 0.00 O ATOM 457 CB ASP A 29 4.914 20.248 11.656 1.00 0.00 C ATOM 458 CG ASP A 29 5.887 21.304 12.140 1.00 0.00 C ATOM 459 OD1 ASP A 29 6.735 21.745 11.335 1.00 0.00 O ATOM 460 OD2 ASP A 29 5.803 21.693 13.324 1.00 0.00 O ATOM 0 H ASP A 29 3.293 18.809 9.722 1.00 0.00 H new ATOM 0 HA ASP A 29 4.905 21.262 9.765 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.940 20.419 12.114 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.254 19.266 11.986 1.00 0.00 H new ATOM 465 N PRO A 30 5.872 19.350 8.165 1.00 0.00 N ATOM 466 CA PRO A 30 6.880 18.588 7.486 1.00 0.00 C ATOM 467 C PRO A 30 8.181 19.371 7.453 1.00 0.00 C ATOM 468 O PRO A 30 8.250 20.479 6.923 1.00 0.00 O ATOM 469 CB PRO A 30 6.319 18.406 6.066 1.00 0.00 C ATOM 470 CG PRO A 30 5.047 19.199 6.005 1.00 0.00 C ATOM 471 CD PRO A 30 5.009 20.072 7.230 1.00 0.00 C ATOM 0 HA PRO A 30 7.096 17.636 7.970 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.031 18.758 5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.130 17.353 5.856 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.014 19.805 5.099 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.182 18.537 5.977 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.384 21.075 7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.996 20.183 7.617 1.00 0.00 H new ATOM 479 N LEU A 31 9.198 18.775 8.027 1.00 0.00 N ATOM 480 CA LEU A 31 10.523 19.384 8.088 1.00 0.00 C ATOM 481 C LEU A 31 11.530 18.573 7.278 1.00 0.00 C ATOM 482 O LEU A 31 12.428 19.130 6.649 1.00 0.00 O ATOM 483 CB LEU A 31 10.988 19.497 9.542 1.00 0.00 C ATOM 484 CG LEU A 31 10.752 20.861 10.192 1.00 0.00 C ATOM 485 CD1 LEU A 31 11.632 21.919 9.546 1.00 0.00 C ATOM 486 CD2 LEU A 31 9.285 21.251 10.093 1.00 0.00 C ATOM 0 H LEU A 31 9.140 17.856 8.467 1.00 0.00 H new ATOM 0 HA LEU A 31 10.459 20.383 7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.476 18.737 10.132 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.053 19.270 9.586 1.00 0.00 H new ATOM 0 HG LEU A 31 11.018 20.791 11.247 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.450 22.883 10.021 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.680 21.645 9.669 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.397 21.988 8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.135 22.224 10.560 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.992 21.303 9.044 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.675 20.505 10.603 1.00 0.00 H new ATOM 498 N VAL A 32 11.373 17.253 7.300 1.00 0.00 N ATOM 499 CA VAL A 32 12.268 16.365 6.568 1.00 0.00 C ATOM 500 C VAL A 32 12.090 16.527 5.062 1.00 0.00 C ATOM 501 O VAL A 32 11.053 17.001 4.598 1.00 0.00 O ATOM 502 CB VAL A 32 12.030 14.890 6.947 1.00 0.00 C ATOM 503 CG1 VAL A 32 13.072 13.994 6.294 1.00 0.00 C ATOM 504 CG2 VAL A 32 12.043 14.716 8.459 1.00 0.00 C ATOM 0 H VAL A 32 10.635 16.775 7.817 1.00 0.00 H new ATOM 0 HA VAL A 32 13.285 16.643 6.843 1.00 0.00 H new ATOM 0 HB VAL A 32 11.047 14.596 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.887 12.957 6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.010 14.094 5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 32 14.066 14.288 6.629 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.873 13.668 8.706 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.010 15.030 8.853 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.255 15.325 8.902 1.00 0.00 H new ATOM 514 N SER A 33 13.107 16.131 4.305 1.00 0.00 N ATOM 515 CA SER A 33 13.062 16.232 2.851 1.00 0.00 C ATOM 516 C SER A 33 11.936 15.376 2.280 1.00 0.00 C ATOM 517 O SER A 33 11.581 14.342 2.847 1.00 0.00 O ATOM 518 CB SER A 33 14.400 15.804 2.246 1.00 0.00 C ATOM 519 OG SER A 33 14.562 16.330 0.940 1.00 0.00 O ATOM 0 H SER A 33 13.973 15.737 4.674 1.00 0.00 H new ATOM 0 HA SER A 33 12.870 17.273 2.591 1.00 0.00 H new ATOM 0 HB2 SER A 33 15.216 16.146 2.883 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.456 14.716 2.213 1.00 0.00 H new ATOM 0 HG SER A 33 15.426 16.043 0.577 1.00 0.00 H new ATOM 525 N GLU A 34 11.377 15.813 1.157 1.00 0.00 N ATOM 526 CA GLU A 34 10.292 15.086 0.509 1.00 0.00 C ATOM 527 C GLU A 34 10.790 13.769 -0.074 1.00 0.00 C ATOM 528 O GLU A 34 10.048 12.789 -0.146 1.00 0.00 O ATOM 529 CB GLU A 34 9.665 15.941 -0.594 1.00 0.00 C ATOM 530 CG GLU A 34 10.660 16.398 -1.649 1.00 0.00 C ATOM 531 CD GLU A 34 11.162 17.808 -1.406 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.322 18.718 -1.249 1.00 0.00 O ATOM 533 OE2 GLU A 34 12.395 18.000 -1.372 1.00 0.00 O ATOM 0 H GLU A 34 11.658 16.668 0.676 1.00 0.00 H new ATOM 0 HA GLU A 34 9.536 14.865 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.872 15.371 -1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.199 16.817 -0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.507 15.712 -1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.191 16.348 -2.632 1.00 0.00 H new ATOM 540 N GLU A 35 12.053 13.751 -0.490 1.00 0.00 N ATOM 541 CA GLU A 35 12.652 12.554 -1.068 1.00 0.00 C ATOM 542 C GLU A 35 12.621 11.396 -0.075 1.00 0.00 C ATOM 543 O GLU A 35 12.402 10.246 -0.455 1.00 0.00 O ATOM 544 CB GLU A 35 14.093 12.834 -1.496 1.00 0.00 C ATOM 545 CG GLU A 35 14.215 13.346 -2.923 1.00 0.00 C ATOM 546 CD GLU A 35 15.620 13.205 -3.474 1.00 0.00 C ATOM 547 OE1 GLU A 35 16.271 12.177 -3.187 1.00 0.00 O ATOM 548 OE2 GLU A 35 16.072 14.123 -4.191 1.00 0.00 O ATOM 0 H GLU A 35 12.681 14.553 -0.437 1.00 0.00 H new ATOM 0 HA GLU A 35 12.068 12.274 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.529 13.567 -0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.677 11.919 -1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.521 12.799 -3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.919 14.395 -2.956 1.00 0.00 H new ATOM 555 N ASP A 36 12.842 11.708 1.198 1.00 0.00 N ATOM 556 CA ASP A 36 12.839 10.693 2.245 1.00 0.00 C ATOM 557 C ASP A 36 11.443 10.124 2.453 1.00 0.00 C ATOM 558 O ASP A 36 11.280 8.986 2.893 1.00 0.00 O ATOM 559 CB ASP A 36 13.368 11.277 3.557 1.00 0.00 C ATOM 560 CG ASP A 36 13.862 10.205 4.508 1.00 0.00 C ATOM 561 OD1 ASP A 36 14.933 9.622 4.240 1.00 0.00 O ATOM 562 OD2 ASP A 36 13.178 9.950 5.522 1.00 0.00 O ATOM 0 H ASP A 36 13.025 12.655 1.529 1.00 0.00 H new ATOM 0 HA ASP A 36 13.495 9.883 1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.181 11.970 3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.578 11.852 4.040 1.00 0.00 H new ATOM 567 N MET A 37 10.444 10.925 2.130 1.00 0.00 N ATOM 568 CA MET A 37 9.051 10.517 2.273 1.00 0.00 C ATOM 569 C MET A 37 8.694 9.428 1.266 1.00 0.00 C ATOM 570 O MET A 37 7.841 8.581 1.529 1.00 0.00 O ATOM 571 CB MET A 37 8.124 11.720 2.090 1.00 0.00 C ATOM 572 CG MET A 37 6.652 11.386 2.262 1.00 0.00 C ATOM 573 SD MET A 37 6.191 11.144 3.989 1.00 0.00 S ATOM 574 CE MET A 37 6.341 12.814 4.616 1.00 0.00 C ATOM 0 H MET A 37 10.569 11.869 1.764 1.00 0.00 H new ATOM 0 HA MET A 37 8.919 10.114 3.277 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.399 12.492 2.808 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.279 12.139 1.096 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.049 12.189 1.838 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.420 10.482 1.698 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.564 12.995 5.358 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.320 12.943 5.077 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.231 13.522 3.795 1.00 0.00 H new ATOM 584 N VAL A 38 9.351 9.460 0.111 1.00 0.00 N ATOM 585 CA VAL A 38 9.102 8.476 -0.936 1.00 0.00 C ATOM 586 C VAL A 38 9.525 7.080 -0.493 1.00 0.00 C ATOM 587 O VAL A 38 8.764 6.120 -0.621 1.00 0.00 O ATOM 588 CB VAL A 38 9.848 8.837 -2.235 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.424 7.917 -3.369 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.607 10.293 -2.601 1.00 0.00 C ATOM 0 H VAL A 38 10.059 10.156 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 38 8.029 8.484 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 38 10.916 8.700 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.962 8.188 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.654 6.885 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.352 8.018 -3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.141 10.530 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.540 10.459 -2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.967 10.935 -1.797 1.00 0.00 H new ATOM 600 N THR A 39 10.743 6.972 0.028 1.00 0.00 N ATOM 601 CA THR A 39 11.267 5.692 0.490 1.00 0.00 C ATOM 602 C THR A 39 10.387 5.106 1.590 1.00 0.00 C ATOM 603 O THR A 39 10.271 3.888 1.722 1.00 0.00 O ATOM 604 CB THR A 39 12.699 5.857 1.001 1.00 0.00 C ATOM 605 OG1 THR A 39 13.222 4.615 1.435 1.00 0.00 O ATOM 606 CG2 THR A 39 12.816 6.832 2.153 1.00 0.00 C ATOM 0 H THR A 39 11.386 7.756 0.141 1.00 0.00 H new ATOM 0 HA THR A 39 11.267 5.003 -0.355 1.00 0.00 H new ATOM 0 HB THR A 39 13.263 6.250 0.155 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.139 4.741 1.757 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.858 6.902 2.466 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.466 7.814 1.835 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.208 6.483 2.988 1.00 0.00 H new ATOM 614 N VAL A 40 9.768 5.981 2.376 1.00 0.00 N ATOM 615 CA VAL A 40 8.898 5.551 3.463 1.00 0.00 C ATOM 616 C VAL A 40 7.676 4.811 2.929 1.00 0.00 C ATOM 617 O VAL A 40 7.266 3.789 3.478 1.00 0.00 O ATOM 618 CB VAL A 40 8.430 6.745 4.317 1.00 0.00 C ATOM 619 CG1 VAL A 40 7.652 6.263 5.532 1.00 0.00 C ATOM 620 CG2 VAL A 40 9.617 7.600 4.738 1.00 0.00 C ATOM 0 H VAL A 40 9.853 6.993 2.280 1.00 0.00 H new ATOM 0 HA VAL A 40 9.484 4.877 4.088 1.00 0.00 H new ATOM 0 HB VAL A 40 7.765 7.361 3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.330 7.121 6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.778 5.700 5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.289 5.622 6.141 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.266 8.438 5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.310 6.997 5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.126 7.978 3.851 1.00 0.00 H new ATOM 630 N VAL A 41 7.098 5.336 1.853 1.00 0.00 N ATOM 631 CA VAL A 41 5.922 4.726 1.244 1.00 0.00 C ATOM 632 C VAL A 41 6.260 3.368 0.637 1.00 0.00 C ATOM 633 O VAL A 41 5.466 2.430 0.711 1.00 0.00 O ATOM 634 CB VAL A 41 5.324 5.629 0.149 1.00 0.00 C ATOM 635 CG1 VAL A 41 3.992 5.074 -0.333 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.163 7.053 0.661 1.00 0.00 C ATOM 0 H VAL A 41 7.425 6.182 1.386 1.00 0.00 H new ATOM 0 HA VAL A 41 5.187 4.595 2.038 1.00 0.00 H new ATOM 0 HB VAL A 41 6.011 5.647 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.585 5.725 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.141 4.075 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.295 5.024 0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.739 7.677 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.498 7.056 1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.137 7.447 0.952 1.00 0.00 H new ATOM 646 N GLU A 42 7.442 3.270 0.038 1.00 0.00 N ATOM 647 CA GLU A 42 7.885 2.027 -0.581 1.00 0.00 C ATOM 648 C GLU A 42 8.215 0.979 0.479 1.00 0.00 C ATOM 649 O GLU A 42 7.783 -0.169 0.386 1.00 0.00 O ATOM 650 CB GLU A 42 9.107 2.278 -1.464 1.00 0.00 C ATOM 651 CG GLU A 42 8.819 3.166 -2.664 1.00 0.00 C ATOM 652 CD GLU A 42 8.685 2.378 -3.952 1.00 0.00 C ATOM 653 OE1 GLU A 42 9.645 1.666 -4.315 1.00 0.00 O ATOM 654 OE2 GLU A 42 7.621 2.473 -4.599 1.00 0.00 O ATOM 0 H GLU A 42 8.111 4.037 -0.032 1.00 0.00 H new ATOM 0 HA GLU A 42 7.071 1.649 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.891 2.738 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.494 1.321 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.900 3.724 -2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.620 3.897 -2.771 1.00 0.00 H new ATOM 661 N ASP A 43 8.983 1.385 1.484 1.00 0.00 N ATOM 662 CA ASP A 43 9.371 0.481 2.561 1.00 0.00 C ATOM 663 C ASP A 43 8.159 0.072 3.392 1.00 0.00 C ATOM 664 O ASP A 43 8.075 -1.059 3.869 1.00 0.00 O ATOM 665 CB ASP A 43 10.418 1.145 3.458 1.00 0.00 C ATOM 666 CG ASP A 43 11.167 0.141 4.313 1.00 0.00 C ATOM 667 OD1 ASP A 43 10.523 -0.514 5.161 1.00 0.00 O ATOM 668 OD2 ASP A 43 12.396 0.009 4.137 1.00 0.00 O ATOM 0 H ASP A 43 9.349 2.333 1.576 1.00 0.00 H new ATOM 0 HA ASP A 43 9.800 -0.415 2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.129 1.692 2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.929 1.875 4.103 1.00 0.00 H new ATOM 673 N TRP A 44 7.223 1.001 3.559 1.00 0.00 N ATOM 674 CA TRP A 44 6.015 0.736 4.332 1.00 0.00 C ATOM 675 C TRP A 44 5.218 -0.411 3.719 1.00 0.00 C ATOM 676 O TRP A 44 4.825 -1.348 4.414 1.00 0.00 O ATOM 677 CB TRP A 44 5.146 1.995 4.405 1.00 0.00 C ATOM 678 CG TRP A 44 5.388 2.816 5.635 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.466 2.745 6.471 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.533 3.834 6.167 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.332 3.657 7.491 1.00 0.00 N ATOM 682 CE2 TRP A 44 5.154 4.337 7.326 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.303 4.371 5.776 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.586 5.349 8.096 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.740 5.375 6.541 1.00 0.00 C ATOM 686 CH2 TRP A 44 3.382 5.855 7.690 1.00 0.00 C ATOM 0 H TRP A 44 7.278 1.942 3.170 1.00 0.00 H new ATOM 0 HA TRP A 44 6.313 0.449 5.340 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.335 2.609 3.525 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.096 1.705 4.372 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.301 2.071 6.349 1.00 0.00 H new ATOM 0 HE1 TRP A 44 7.001 3.804 8.247 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.801 4.008 4.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.079 5.721 8.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.790 5.796 6.248 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.917 6.641 8.267 1.00 0.00 H new ATOM 697 N MET A 45 4.982 -0.331 2.413 1.00 0.00 N ATOM 698 CA MET A 45 4.232 -1.362 1.707 1.00 0.00 C ATOM 699 C MET A 45 5.003 -2.679 1.688 1.00 0.00 C ATOM 700 O MET A 45 4.411 -3.757 1.718 1.00 0.00 O ATOM 701 CB MET A 45 3.929 -0.914 0.277 1.00 0.00 C ATOM 702 CG MET A 45 5.174 -0.609 -0.542 1.00 0.00 C ATOM 703 SD MET A 45 4.854 -0.606 -2.316 1.00 0.00 S ATOM 704 CE MET A 45 3.603 0.670 -2.434 1.00 0.00 C ATOM 0 H MET A 45 5.300 0.438 1.823 1.00 0.00 H new ATOM 0 HA MET A 45 3.293 -1.519 2.237 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.356 -1.693 -0.225 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.299 -0.025 0.309 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.570 0.363 -0.246 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.943 -1.348 -0.317 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.860 0.383 -3.178 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.118 0.794 -1.466 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.069 1.610 -2.729 1.00 0.00 H new ATOM 714 N ASN A 46 6.328 -2.582 1.638 1.00 0.00 N ATOM 715 CA ASN A 46 7.180 -3.765 1.615 1.00 0.00 C ATOM 716 C ASN A 46 6.962 -4.619 2.860 1.00 0.00 C ATOM 717 O ASN A 46 6.964 -5.847 2.790 1.00 0.00 O ATOM 718 CB ASN A 46 8.651 -3.357 1.513 1.00 0.00 C ATOM 719 CG ASN A 46 9.455 -4.306 0.646 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.545 -5.500 0.932 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.044 -3.777 -0.420 1.00 0.00 N ATOM 0 H ASN A 46 6.834 -1.697 1.613 1.00 0.00 H new ATOM 0 HA ASN A 46 6.912 -4.357 0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.718 -2.349 1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.086 -3.324 2.512 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.599 -4.366 -1.041 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.942 -2.782 -0.618 1.00 0.00 H new ATOM 728 N PHE A 47 6.774 -3.959 3.999 1.00 0.00 N ATOM 729 CA PHE A 47 6.554 -4.658 5.259 1.00 0.00 C ATOM 730 C PHE A 47 5.179 -5.319 5.282 1.00 0.00 C ATOM 731 O PHE A 47 5.002 -6.387 5.868 1.00 0.00 O ATOM 732 CB PHE A 47 6.685 -3.688 6.434 1.00 0.00 C ATOM 733 CG PHE A 47 7.132 -4.345 7.709 1.00 0.00 C ATOM 734 CD1 PHE A 47 8.316 -5.064 7.755 1.00 0.00 C ATOM 735 CD2 PHE A 47 6.369 -4.244 8.861 1.00 0.00 C ATOM 736 CE1 PHE A 47 8.731 -5.669 8.925 1.00 0.00 C ATOM 737 CE2 PHE A 47 6.779 -4.848 10.035 1.00 0.00 C ATOM 738 CZ PHE A 47 7.961 -5.561 10.068 1.00 0.00 C ATOM 0 H PHE A 47 6.770 -2.942 4.074 1.00 0.00 H new ATOM 0 HA PHE A 47 7.313 -5.435 5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.396 -2.905 6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.724 -3.203 6.603 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.921 -5.152 6.865 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.444 -3.687 8.842 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.656 -6.226 8.947 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.175 -4.762 10.926 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.283 -6.033 10.984 1.00 0.00 H new ATOM 748 N TYR A 48 4.209 -4.676 4.639 1.00 0.00 N ATOM 749 CA TYR A 48 2.851 -5.202 4.586 1.00 0.00 C ATOM 750 C TYR A 48 2.790 -6.468 3.736 1.00 0.00 C ATOM 751 O TYR A 48 2.070 -7.412 4.061 1.00 0.00 O ATOM 752 CB TYR A 48 1.896 -4.149 4.020 1.00 0.00 C ATOM 753 CG TYR A 48 1.502 -3.087 5.023 1.00 0.00 C ATOM 754 CD1 TYR A 48 2.463 -2.426 5.778 1.00 0.00 C ATOM 755 CD2 TYR A 48 0.169 -2.745 5.212 1.00 0.00 C ATOM 756 CE1 TYR A 48 2.107 -1.455 6.694 1.00 0.00 C ATOM 757 CE2 TYR A 48 -0.195 -1.775 6.127 1.00 0.00 C ATOM 758 CZ TYR A 48 0.776 -1.133 6.865 1.00 0.00 C ATOM 759 OH TYR A 48 0.418 -0.168 7.776 1.00 0.00 O ATOM 0 H TYR A 48 4.339 -3.791 4.148 1.00 0.00 H new ATOM 0 HA TYR A 48 2.546 -5.452 5.602 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.365 -3.669 3.161 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.996 -4.645 3.656 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.506 -2.675 5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.595 -3.245 4.635 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.866 -0.951 7.273 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.236 -1.521 6.263 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.556 -0.061 7.773 1.00 0.00 H new ATOM 769 N ILE A 49 3.550 -6.479 2.646 1.00 0.00 N ATOM 770 CA ILE A 49 3.583 -7.628 1.750 1.00 0.00 C ATOM 771 C ILE A 49 4.231 -8.832 2.426 1.00 0.00 C ATOM 772 O ILE A 49 3.853 -9.976 2.173 1.00 0.00 O ATOM 773 CB ILE A 49 4.349 -7.307 0.451 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.813 -6.021 -0.180 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.246 -8.467 -0.530 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.873 -5.209 -0.893 1.00 0.00 C ATOM 0 H ILE A 49 4.151 -5.705 2.362 1.00 0.00 H new ATOM 0 HA ILE A 49 2.549 -7.866 1.502 1.00 0.00 H new ATOM 0 HB ILE A 49 5.400 -7.159 0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.024 -6.275 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.358 -5.407 0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.792 -8.223 -1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.673 -9.363 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.199 -8.647 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.421 -4.312 -1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.651 -4.924 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.312 -5.806 -1.693 1.00 0.00 H new ATOM 788 N ASN A 50 5.209 -8.566 3.286 1.00 0.00 N ATOM 789 CA ASN A 50 5.909 -9.629 3.999 1.00 0.00 C ATOM 790 C ASN A 50 4.983 -10.323 4.993 1.00 0.00 C ATOM 791 O ASN A 50 5.061 -11.535 5.188 1.00 0.00 O ATOM 792 CB ASN A 50 7.128 -9.062 4.731 1.00 0.00 C ATOM 793 CG ASN A 50 8.313 -10.007 4.699 1.00 0.00 C ATOM 794 OD1 ASN A 50 8.265 -11.101 5.262 1.00 0.00 O ATOM 795 ND2 ASN A 50 9.386 -9.588 4.038 1.00 0.00 N ATOM 0 H ASN A 50 5.535 -7.625 3.506 1.00 0.00 H new ATOM 0 HA ASN A 50 6.241 -10.365 3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.412 -8.113 4.277 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.861 -8.853 5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.214 -10.181 3.982 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.382 -8.674 3.586 1.00 0.00 H new ATOM 802 N TYR A 51 4.104 -9.545 5.618 1.00 0.00 N ATOM 803 CA TYR A 51 3.162 -10.086 6.591 1.00 0.00 C ATOM 804 C TYR A 51 2.061 -10.883 5.900 1.00 0.00 C ATOM 805 O TYR A 51 1.743 -12.002 6.301 1.00 0.00 O ATOM 806 CB TYR A 51 2.547 -8.957 7.420 1.00 0.00 C ATOM 807 CG TYR A 51 2.323 -9.322 8.870 1.00 0.00 C ATOM 808 CD1 TYR A 51 3.388 -9.398 9.760 1.00 0.00 C ATOM 809 CD2 TYR A 51 1.047 -9.589 9.350 1.00 0.00 C ATOM 810 CE1 TYR A 51 3.187 -9.731 11.085 1.00 0.00 C ATOM 811 CE2 TYR A 51 0.838 -9.922 10.675 1.00 0.00 C ATOM 812 CZ TYR A 51 1.911 -9.992 11.538 1.00 0.00 C ATOM 813 OH TYR A 51 1.707 -10.324 12.858 1.00 0.00 O ATOM 0 H TYR A 51 4.025 -8.539 5.468 1.00 0.00 H new ATOM 0 HA TYR A 51 3.709 -10.757 7.253 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.199 -8.085 7.370 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.594 -8.669 6.975 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.389 -9.193 9.410 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.204 -9.535 8.677 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.025 -9.787 11.763 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.160 -10.126 11.032 1.00 0.00 H new ATOM 0 HH TYR A 51 0.751 -10.475 13.013 1.00 0.00 H new ATOM 823 N TYR A 52 1.480 -10.298 4.857 1.00 0.00 N ATOM 824 CA TYR A 52 0.414 -10.952 4.108 1.00 0.00 C ATOM 825 C TYR A 52 0.899 -12.268 3.510 1.00 0.00 C ATOM 826 O TYR A 52 0.219 -13.291 3.601 1.00 0.00 O ATOM 827 CB TYR A 52 -0.098 -10.032 2.998 1.00 0.00 C ATOM 828 CG TYR A 52 -1.084 -8.991 3.478 1.00 0.00 C ATOM 829 CD1 TYR A 52 -0.880 -8.311 4.673 1.00 0.00 C ATOM 830 CD2 TYR A 52 -2.219 -8.688 2.737 1.00 0.00 C ATOM 831 CE1 TYR A 52 -1.780 -7.359 5.114 1.00 0.00 C ATOM 832 CE2 TYR A 52 -3.122 -7.736 3.170 1.00 0.00 C ATOM 833 CZ TYR A 52 -2.899 -7.075 4.360 1.00 0.00 C ATOM 834 OH TYR A 52 -3.796 -6.128 4.796 1.00 0.00 O ATOM 0 H TYR A 52 1.730 -9.371 4.512 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.402 -11.165 4.798 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.751 -9.529 2.535 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.570 -10.638 2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.005 -8.530 5.266 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.399 -9.205 1.806 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.607 -6.840 6.045 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.998 -7.511 2.580 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.325 -5.450 5.325 1.00 0.00 H new ATOM 844 N ARG A 53 2.078 -12.235 2.898 1.00 0.00 N ATOM 845 CA ARG A 53 2.656 -13.427 2.286 1.00 0.00 C ATOM 846 C ARG A 53 2.819 -14.546 3.311 1.00 0.00 C ATOM 847 O ARG A 53 2.887 -15.723 2.953 1.00 0.00 O ATOM 848 CB ARG A 53 4.010 -13.095 1.657 1.00 0.00 C ATOM 849 CG ARG A 53 4.350 -13.961 0.454 1.00 0.00 C ATOM 850 CD ARG A 53 5.854 -14.110 0.278 1.00 0.00 C ATOM 851 NE ARG A 53 6.323 -13.492 -0.961 1.00 0.00 N ATOM 852 CZ ARG A 53 7.583 -13.550 -1.388 1.00 0.00 C ATOM 853 NH1 ARG A 53 8.501 -14.197 -0.680 1.00 0.00 N ATOM 854 NH2 ARG A 53 7.925 -12.962 -2.525 1.00 0.00 N ATOM 0 H ARG A 53 2.652 -11.396 2.812 1.00 0.00 H new ATOM 0 HA ARG A 53 1.974 -13.771 1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.013 -12.048 1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.790 -13.211 2.410 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.898 -14.946 0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.920 -13.520 -0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.365 -13.655 1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.116 -15.168 0.278 1.00 0.00 H new ATOM 0 HE ARG A 53 5.645 -12.987 -1.532 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.242 -14.653 0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.465 -14.239 -1.011 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.223 -12.465 -3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.890 -13.006 -2.852 1.00 0.00 H new ATOM 868 N GLN A 54 2.884 -14.176 4.586 1.00 0.00 N ATOM 869 CA GLN A 54 3.040 -15.153 5.658 1.00 0.00 C ATOM 870 C GLN A 54 1.688 -15.714 6.103 1.00 0.00 C ATOM 871 O GLN A 54 1.618 -16.513 7.037 1.00 0.00 O ATOM 872 CB GLN A 54 3.757 -14.519 6.851 1.00 0.00 C ATOM 873 CG GLN A 54 5.272 -14.538 6.732 1.00 0.00 C ATOM 874 CD GLN A 54 5.962 -14.612 8.080 1.00 0.00 C ATOM 875 OE1 GLN A 54 5.948 -15.649 8.743 1.00 0.00 O ATOM 876 NE2 GLN A 54 6.573 -13.506 8.492 1.00 0.00 N ATOM 0 H GLN A 54 2.831 -13.208 4.902 1.00 0.00 H new ATOM 0 HA GLN A 54 3.640 -15.977 5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.422 -13.487 6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.466 -15.045 7.760 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.574 -15.392 6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.603 -13.642 6.207 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.559 -12.669 7.910 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.056 -13.495 9.391 1.00 0.00 H new ATOM 885 N GLN A 55 0.617 -15.294 5.432 1.00 0.00 N ATOM 886 CA GLN A 55 -0.724 -15.762 5.766 1.00 0.00 C ATOM 887 C GLN A 55 -1.592 -15.860 4.515 1.00 0.00 C ATOM 888 O GLN A 55 -2.733 -15.396 4.498 1.00 0.00 O ATOM 889 CB GLN A 55 -1.374 -14.821 6.783 1.00 0.00 C ATOM 890 CG GLN A 55 -2.680 -15.350 7.352 1.00 0.00 C ATOM 891 CD GLN A 55 -2.523 -15.908 8.753 1.00 0.00 C ATOM 892 OE1 GLN A 55 -2.600 -17.119 8.964 1.00 0.00 O ATOM 893 NE2 GLN A 55 -2.302 -15.025 9.720 1.00 0.00 N ATOM 0 H GLN A 55 0.653 -14.633 4.656 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.639 -16.756 6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.676 -14.645 7.601 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.558 -13.857 6.308 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.418 -14.548 7.365 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.068 -16.129 6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.246 -14.031 9.500 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.189 -15.341 10.683 1.00 0.00 H new ATOM 902 N VAL A 56 -1.042 -16.465 3.468 1.00 0.00 N ATOM 903 CA VAL A 56 -1.765 -16.625 2.210 1.00 0.00 C ATOM 904 C VAL A 56 -2.443 -17.989 2.138 1.00 0.00 C ATOM 905 O VAL A 56 -2.264 -18.828 3.019 1.00 0.00 O ATOM 906 CB VAL A 56 -0.834 -16.465 0.986 1.00 0.00 C ATOM 907 CG1 VAL A 56 -1.568 -15.777 -0.155 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.428 -15.695 1.353 1.00 0.00 C ATOM 0 H VAL A 56 -0.099 -16.853 3.465 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.519 -15.838 2.184 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.536 -17.460 0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.898 -15.673 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.433 -16.374 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.900 -14.790 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.064 -15.598 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.157 -14.704 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.968 -16.232 2.133 1.00 0.00 H new ATOM 918 N THR A 57 -3.215 -18.204 1.077 1.00 0.00 N ATOM 919 CA THR A 57 -3.915 -19.458 0.875 1.00 0.00 C ATOM 920 C THR A 57 -4.411 -19.562 -0.558 1.00 0.00 C ATOM 921 O THR A 57 -4.810 -18.569 -1.167 1.00 0.00 O ATOM 922 CB THR A 57 -5.094 -19.593 1.836 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.812 -18.375 1.925 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.688 -19.993 3.238 1.00 0.00 C ATOM 0 H THR A 57 -3.369 -17.516 0.340 1.00 0.00 H new ATOM 0 HA THR A 57 -3.212 -20.267 1.074 1.00 0.00 H new ATOM 0 HB THR A 57 -5.713 -20.387 1.418 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.564 -18.483 2.544 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.576 -20.070 3.866 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.180 -20.957 3.209 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.016 -19.241 3.651 1.00 0.00 H new ATOM 932 N GLY A 58 -4.376 -20.770 -1.085 1.00 0.00 N ATOM 933 CA GLY A 58 -4.814 -21.009 -2.443 1.00 0.00 C ATOM 934 C GLY A 58 -3.854 -21.893 -3.205 1.00 0.00 C ATOM 935 O GLY A 58 -3.473 -22.966 -2.737 1.00 0.00 O ATOM 0 H GLY A 58 -4.048 -21.601 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.800 -21.474 -2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.918 -20.056 -2.962 1.00 0.00 H new ATOM 939 N GLU A 59 -3.461 -21.435 -4.380 1.00 0.00 N ATOM 940 CA GLU A 59 -2.532 -22.175 -5.225 1.00 0.00 C ATOM 941 C GLU A 59 -1.240 -21.386 -5.422 1.00 0.00 C ATOM 942 O GLU A 59 -1.204 -20.175 -5.205 1.00 0.00 O ATOM 943 CB GLU A 59 -3.170 -22.481 -6.583 1.00 0.00 C ATOM 944 CG GLU A 59 -4.622 -22.922 -6.489 1.00 0.00 C ATOM 945 CD GLU A 59 -4.949 -24.059 -7.437 1.00 0.00 C ATOM 946 OE1 GLU A 59 -4.217 -25.071 -7.425 1.00 0.00 O ATOM 947 OE2 GLU A 59 -5.937 -23.936 -8.192 1.00 0.00 O ATOM 0 H GLU A 59 -3.772 -20.548 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.295 -23.116 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.109 -21.593 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.593 -23.262 -7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.838 -23.233 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.270 -22.074 -6.708 1.00 0.00 H new ATOM 954 N PRO A 60 -0.156 -22.064 -5.836 1.00 0.00 N ATOM 955 CA PRO A 60 1.141 -21.418 -6.059 1.00 0.00 C ATOM 956 C PRO A 60 1.026 -20.159 -6.914 1.00 0.00 C ATOM 957 O PRO A 60 1.504 -19.092 -6.531 1.00 0.00 O ATOM 958 CB PRO A 60 1.946 -22.491 -6.793 1.00 0.00 C ATOM 959 CG PRO A 60 1.355 -23.781 -6.339 1.00 0.00 C ATOM 960 CD PRO A 60 -0.109 -23.512 -6.118 1.00 0.00 C ATOM 0 HA PRO A 60 1.596 -21.085 -5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.865 -22.377 -7.874 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.006 -22.431 -6.544 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.500 -24.561 -7.087 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.831 -24.127 -5.421 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.701 -23.769 -6.996 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.503 -24.096 -5.286 1.00 0.00 H new ATOM 968 N GLN A 61 0.390 -20.293 -8.073 1.00 0.00 N ATOM 969 CA GLN A 61 0.214 -19.166 -8.982 1.00 0.00 C ATOM 970 C GLN A 61 -0.863 -18.212 -8.477 1.00 0.00 C ATOM 971 O GLN A 61 -0.793 -17.005 -8.710 1.00 0.00 O ATOM 972 CB GLN A 61 -0.148 -19.666 -10.382 1.00 0.00 C ATOM 973 CG GLN A 61 -1.287 -20.673 -10.393 1.00 0.00 C ATOM 974 CD GLN A 61 -2.051 -20.673 -11.703 1.00 0.00 C ATOM 975 OE1 GLN A 61 -1.484 -20.423 -12.767 1.00 0.00 O ATOM 976 NE2 GLN A 61 -3.347 -20.954 -11.631 1.00 0.00 N ATOM 0 H GLN A 61 -0.012 -21.170 -8.405 1.00 0.00 H new ATOM 0 HA GLN A 61 1.158 -18.622 -9.027 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.422 -18.814 -11.004 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.733 -20.121 -10.835 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.887 -21.670 -10.209 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.973 -20.449 -9.576 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.776 -21.155 -10.728 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.914 -20.969 -12.479 1.00 0.00 H new ATOM 985 N GLU A 62 -1.860 -18.756 -7.786 1.00 0.00 N ATOM 986 CA GLU A 62 -2.948 -17.945 -7.254 1.00 0.00 C ATOM 987 C GLU A 62 -2.429 -16.966 -6.206 1.00 0.00 C ATOM 988 O GLU A 62 -2.690 -15.766 -6.280 1.00 0.00 O ATOM 989 CB GLU A 62 -4.033 -18.839 -6.649 1.00 0.00 C ATOM 990 CG GLU A 62 -5.269 -18.971 -7.524 1.00 0.00 C ATOM 991 CD GLU A 62 -6.553 -18.993 -6.718 1.00 0.00 C ATOM 992 OE1 GLU A 62 -7.116 -17.906 -6.467 1.00 0.00 O ATOM 993 OE2 GLU A 62 -6.997 -20.096 -6.338 1.00 0.00 O ATOM 0 H GLU A 62 -1.936 -19.752 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.381 -17.374 -8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.617 -19.830 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.326 -18.436 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.301 -18.140 -8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.198 -19.886 -8.112 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.688 -17.486 -5.232 1.00 0.00 N ATOM 1001 CA ARG A 63 -1.130 -16.660 -4.177 1.00 0.00 C ATOM 1002 C ARG A 63 -0.199 -15.600 -4.759 1.00 0.00 C ATOM 1003 O ARG A 63 -0.136 -14.475 -4.265 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.374 -17.531 -3.175 1.00 0.00 C ATOM 1005 CG ARG A 63 0.852 -18.213 -3.759 1.00 0.00 C ATOM 1006 CD ARG A 63 1.693 -18.869 -2.676 1.00 0.00 C ATOM 1007 NE ARG A 63 0.922 -19.831 -1.890 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.468 -20.717 -1.061 1.00 0.00 C ATOM 1009 NH1 ARG A 63 2.785 -20.767 -0.904 1.00 0.00 N ATOM 1010 NH2 ARG A 63 0.694 -21.555 -0.384 1.00 0.00 N ATOM 0 H ARG A 63 -1.462 -18.478 -5.155 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.948 -16.155 -3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.067 -16.914 -2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.051 -18.292 -2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.541 -18.964 -4.485 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.455 -17.481 -4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.544 -19.374 -3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.096 -18.101 -2.015 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.094 -19.822 -1.983 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.385 -20.124 -1.420 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.197 -21.449 -0.267 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.319 -21.520 -0.499 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.112 -22.235 0.252 1.00 0.00 H new ATOM 1024 N ASP A 64 0.516 -15.970 -5.818 1.00 0.00 N ATOM 1025 CA ASP A 64 1.438 -15.052 -6.473 1.00 0.00 C ATOM 1026 C ASP A 64 0.679 -13.973 -7.236 1.00 0.00 C ATOM 1027 O ASP A 64 1.111 -12.822 -7.302 1.00 0.00 O ATOM 1028 CB ASP A 64 2.356 -15.817 -7.428 1.00 0.00 C ATOM 1029 CG ASP A 64 3.757 -15.240 -7.472 1.00 0.00 C ATOM 1030 OD1 ASP A 64 3.886 -14.008 -7.638 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.725 -16.018 -7.341 1.00 0.00 O ATOM 0 H ASP A 64 0.474 -16.898 -6.239 1.00 0.00 H new ATOM 0 HA ASP A 64 2.043 -14.571 -5.704 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.406 -16.861 -7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.928 -15.800 -8.430 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.457 -14.354 -7.813 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.279 -13.420 -8.575 1.00 0.00 C ATOM 1038 C LYS A 65 -2.002 -12.445 -7.650 1.00 0.00 C ATOM 1039 O LYS A 65 -2.189 -11.276 -7.990 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.295 -14.183 -9.426 1.00 0.00 C ATOM 1041 CG LYS A 65 -2.476 -13.606 -10.821 1.00 0.00 C ATOM 1042 CD LYS A 65 -3.738 -12.762 -10.917 1.00 0.00 C ATOM 1043 CE LYS A 65 -3.427 -11.279 -10.790 1.00 0.00 C ATOM 1044 NZ LYS A 65 -4.309 -10.452 -11.658 1.00 0.00 N ATOM 0 H LYS A 65 -0.829 -15.303 -7.767 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.621 -12.848 -9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.978 -15.223 -9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.257 -14.184 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.610 -12.997 -11.079 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.523 -14.417 -11.548 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.232 -12.951 -11.870 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.435 -13.057 -10.133 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.547 -10.970 -9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.385 -11.102 -11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.066 -9.447 -11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.177 -10.729 -12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.302 -10.601 -11.387 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.406 -12.932 -6.481 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.108 -12.102 -5.511 1.00 0.00 C ATOM 1060 C ALA A 66 -2.155 -11.123 -4.835 1.00 0.00 C ATOM 1061 O ALA A 66 -2.511 -9.974 -4.573 1.00 0.00 O ATOM 1062 CB ALA A 66 -3.797 -12.973 -4.472 1.00 0.00 C ATOM 0 H ALA A 66 -2.259 -13.897 -6.184 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.863 -11.524 -6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.318 -12.340 -3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.515 -13.628 -4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.053 -13.576 -3.952 1.00 0.00 H new ATOM 1068 N LEU A 67 -0.943 -11.587 -4.554 1.00 0.00 N ATOM 1069 CA LEU A 67 0.063 -10.754 -3.906 1.00 0.00 C ATOM 1070 C LEU A 67 0.662 -9.753 -4.887 1.00 0.00 C ATOM 1071 O LEU A 67 1.065 -8.656 -4.503 1.00 0.00 O ATOM 1072 CB LEU A 67 1.162 -11.629 -3.307 1.00 0.00 C ATOM 1073 CG LEU A 67 1.413 -11.420 -1.813 1.00 0.00 C ATOM 1074 CD1 LEU A 67 1.672 -9.951 -1.515 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.230 -11.931 -1.002 1.00 0.00 C ATOM 0 H LEU A 67 -0.633 -12.536 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.422 -10.194 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.904 -12.675 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.090 -11.440 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 67 2.299 -11.987 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.848 -9.822 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.548 -9.616 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.806 -9.361 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.422 -11.776 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.670 -11.389 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.090 -12.995 -1.194 1.00 0.00 H new ATOM 1087 N GLN A 68 0.718 -10.140 -6.158 1.00 0.00 N ATOM 1088 CA GLN A 68 1.270 -9.278 -7.197 1.00 0.00 C ATOM 1089 C GLN A 68 0.374 -8.066 -7.434 1.00 0.00 C ATOM 1090 O GLN A 68 0.855 -6.982 -7.765 1.00 0.00 O ATOM 1091 CB GLN A 68 1.445 -10.061 -8.498 1.00 0.00 C ATOM 1092 CG GLN A 68 2.790 -10.759 -8.613 1.00 0.00 C ATOM 1093 CD GLN A 68 2.942 -11.523 -9.913 1.00 0.00 C ATOM 1094 OE1 GLN A 68 2.186 -12.454 -10.191 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.924 -11.132 -10.718 1.00 0.00 N ATOM 0 H GLN A 68 0.388 -11.045 -6.493 1.00 0.00 H new ATOM 0 HA GLN A 68 2.244 -8.924 -6.860 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.652 -10.805 -8.574 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.325 -9.380 -9.341 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.587 -10.019 -8.536 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.911 -11.446 -7.776 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.527 -10.355 -10.447 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.075 -11.609 -11.607 1.00 0.00 H new ATOM 1104 N GLU A 69 -0.931 -8.256 -7.265 1.00 0.00 N ATOM 1105 CA GLU A 69 -1.891 -7.176 -7.465 1.00 0.00 C ATOM 1106 C GLU A 69 -1.851 -6.192 -6.307 1.00 0.00 C ATOM 1107 O GLU A 69 -2.107 -5.001 -6.483 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.304 -7.736 -7.635 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.353 -6.668 -7.902 1.00 0.00 C ATOM 1110 CD GLU A 69 -4.299 -6.140 -9.322 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -4.026 -6.939 -10.243 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -4.528 -4.928 -9.514 1.00 0.00 O ATOM 0 H GLU A 69 -1.347 -9.146 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.614 -6.645 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.306 -8.450 -8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.579 -8.286 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.343 -7.080 -7.709 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.211 -5.842 -7.205 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.513 -6.691 -5.126 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.422 -5.849 -3.942 1.00 0.00 C ATOM 1121 C LEU A 70 -0.536 -4.640 -4.224 1.00 0.00 C ATOM 1122 O LEU A 70 -0.715 -3.572 -3.638 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.865 -6.646 -2.761 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.542 -6.371 -1.418 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.487 -7.604 -0.529 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.887 -5.184 -0.726 1.00 0.00 C ATOM 0 H LEU A 70 -1.297 -7.674 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.423 -5.501 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.955 -7.709 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.199 -6.429 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.588 -6.129 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.974 -7.389 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.001 -8.430 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.447 -7.878 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.381 -5.001 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.167 -5.400 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.978 -4.300 -1.357 1.00 0.00 H new ATOM 1138 N ARG A 71 0.424 -4.822 -5.128 1.00 0.00 N ATOM 1139 CA ARG A 71 1.344 -3.751 -5.492 1.00 0.00 C ATOM 1140 C ARG A 71 0.623 -2.649 -6.261 1.00 0.00 C ATOM 1141 O ARG A 71 0.873 -1.462 -6.045 1.00 0.00 O ATOM 1142 CB ARG A 71 2.497 -4.306 -6.332 1.00 0.00 C ATOM 1143 CG ARG A 71 3.852 -3.726 -5.964 1.00 0.00 C ATOM 1144 CD ARG A 71 4.230 -2.570 -6.877 1.00 0.00 C ATOM 1145 NE ARG A 71 5.595 -2.108 -6.638 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.164 -1.104 -7.301 1.00 0.00 C ATOM 1147 NH1 ARG A 71 5.490 -0.454 -8.243 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.410 -0.746 -7.022 1.00 0.00 N ATOM 0 H ARG A 71 0.584 -5.701 -5.621 1.00 0.00 H new ATOM 0 HA ARG A 71 1.745 -3.323 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.531 -5.389 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.299 -4.104 -7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.833 -3.383 -4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.612 -4.505 -6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.129 -2.881 -7.917 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.535 -1.744 -6.723 1.00 0.00 H new ATOM 0 HE ARG A 71 6.144 -2.583 -5.921 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.531 -0.723 -8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.932 0.315 -8.748 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.933 -1.240 -6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.846 0.024 -7.530 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.272 -3.047 -7.159 1.00 0.00 N ATOM 1163 CA GLN A 72 -1.028 -2.092 -7.962 1.00 0.00 C ATOM 1164 C GLN A 72 -1.864 -1.175 -7.075 1.00 0.00 C ATOM 1165 O GLN A 72 -1.871 0.043 -7.258 1.00 0.00 O ATOM 1166 CB GLN A 72 -1.934 -2.830 -8.949 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.194 -3.386 -10.155 1.00 0.00 C ATOM 1168 CD GLN A 72 -1.966 -3.203 -11.447 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -1.382 -2.467 -12.387 1.00 0.00 O flip ATOM 1170 NE2 GLN A 72 -3.073 -3.720 -11.600 1.00 0.00 N flip ATOM 0 H GLN A 72 -0.492 -4.025 -7.349 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.318 -1.480 -8.518 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.432 -3.649 -8.430 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.713 -2.150 -9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.226 -2.893 -10.242 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.999 -4.447 -10.000 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.483 -4.277 -10.851 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.580 -3.591 -12.476 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.566 -1.766 -6.115 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.406 -1.000 -5.201 1.00 0.00 C ATOM 1181 C GLU A 73 -2.574 0.007 -4.412 1.00 0.00 C ATOM 1182 O GLU A 73 -2.911 1.189 -4.346 1.00 0.00 O ATOM 1183 CB GLU A 73 -4.138 -1.939 -4.240 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.963 -3.006 -4.941 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.250 -2.457 -5.524 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.242 -1.300 -5.997 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -7.266 -3.183 -5.510 1.00 0.00 O ATOM 0 H GLU A 73 -2.570 -2.772 -5.949 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.140 -0.453 -5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.408 -2.424 -3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.792 -1.350 -3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.369 -3.454 -5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.199 -3.801 -4.234 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.486 -0.470 -3.817 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.606 0.388 -3.032 1.00 0.00 C ATOM 1196 C LEU A 74 0.137 1.374 -3.927 1.00 0.00 C ATOM 1197 O LEU A 74 0.430 2.499 -3.521 1.00 0.00 O ATOM 1198 CB LEU A 74 0.396 -0.459 -2.244 1.00 0.00 C ATOM 1199 CG LEU A 74 -0.227 -1.475 -1.284 1.00 0.00 C ATOM 1200 CD1 LEU A 74 0.854 -2.203 -0.503 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -1.200 -0.787 -0.339 1.00 0.00 C ATOM 0 H LEU A 74 -1.192 -1.446 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.222 0.954 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.032 -0.992 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.042 0.208 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.779 -2.210 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.392 -2.921 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.512 -2.728 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.435 -1.482 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.634 -1.524 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.671 -0.031 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.994 -0.312 -0.916 1.00 0.00 H new ATOM 1213 N ASN A 75 0.441 0.945 -5.148 1.00 0.00 N ATOM 1214 CA ASN A 75 1.153 1.791 -6.102 1.00 0.00 C ATOM 1215 C ASN A 75 0.393 3.090 -6.353 1.00 0.00 C ATOM 1216 O ASN A 75 0.963 4.178 -6.270 1.00 0.00 O ATOM 1217 CB ASN A 75 1.362 1.044 -7.421 1.00 0.00 C ATOM 1218 CG ASN A 75 2.153 1.857 -8.428 1.00 0.00 C ATOM 1219 OD1 ASN A 75 3.104 2.553 -8.071 1.00 0.00 O ATOM 1220 ND2 ASN A 75 1.762 1.774 -9.694 1.00 0.00 N ATOM 0 H ASN A 75 0.206 0.017 -5.501 1.00 0.00 H new ATOM 0 HA ASN A 75 2.125 2.038 -5.675 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.883 0.107 -7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.392 0.787 -7.847 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.255 2.300 -10.416 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.968 1.185 -9.945 1.00 0.00 H new ATOM 1227 N THR A 76 -0.893 2.969 -6.661 1.00 0.00 N ATOM 1228 CA THR A 76 -1.729 4.130 -6.925 1.00 0.00 C ATOM 1229 C THR A 76 -2.098 4.851 -5.639 1.00 0.00 C ATOM 1230 O THR A 76 -2.175 6.075 -5.610 1.00 0.00 O ATOM 1231 CB THR A 76 -2.999 3.734 -7.654 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.453 2.462 -7.227 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.845 3.694 -9.158 1.00 0.00 C ATOM 0 H THR A 76 -1.379 2.075 -6.734 1.00 0.00 H new ATOM 0 HA THR A 76 -1.147 4.803 -7.555 1.00 0.00 H new ATOM 0 HB THR A 76 -3.723 4.510 -7.405 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.273 2.229 -7.709 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.792 3.404 -9.613 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.556 4.680 -9.520 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.076 2.969 -9.426 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.341 4.087 -4.577 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.715 4.676 -3.294 1.00 0.00 C ATOM 1243 C LEU A 77 -1.734 5.784 -2.931 1.00 0.00 C ATOM 1244 O LEU A 77 -2.088 6.751 -2.259 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.734 3.605 -2.201 1.00 0.00 C ATOM 1246 CG LEU A 77 -4.123 3.077 -1.837 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -4.031 1.658 -1.297 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.791 3.993 -0.822 1.00 0.00 C ATOM 0 H LEU A 77 -2.286 3.068 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.716 5.100 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.116 2.767 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.271 4.015 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.733 3.061 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.029 1.300 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.594 1.008 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.405 1.648 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.778 3.603 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.182 4.041 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.892 4.993 -1.245 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.504 5.636 -3.405 1.00 0.00 N ATOM 1261 CA ALA A 78 0.534 6.623 -3.170 1.00 0.00 C ATOM 1262 C ALA A 78 0.287 7.895 -3.984 1.00 0.00 C ATOM 1263 O ALA A 78 0.715 8.980 -3.589 1.00 0.00 O ATOM 1264 CB ALA A 78 1.899 6.039 -3.503 1.00 0.00 C ATOM 0 H ALA A 78 -0.202 4.834 -3.959 1.00 0.00 H new ATOM 0 HA ALA A 78 0.510 6.892 -2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.669 6.789 -3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.086 5.169 -2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.921 5.741 -4.551 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.381 7.762 -5.138 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.639 8.918 -5.999 1.00 0.00 C ATOM 1272 C ASN A 79 -1.388 10.028 -5.258 1.00 0.00 C ATOM 1273 O ASN A 79 -0.926 11.169 -5.214 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.430 8.491 -7.239 1.00 0.00 C ATOM 1275 CG ASN A 79 -0.765 8.934 -8.528 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -0.127 9.985 -8.582 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -0.912 8.131 -9.576 1.00 0.00 N ATOM 0 H ASN A 79 -0.747 6.878 -5.491 1.00 0.00 H new ATOM 0 HA ASN A 79 0.328 9.318 -6.305 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.538 7.406 -7.243 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.435 8.911 -7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.487 8.377 -10.470 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.450 7.269 -9.486 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.553 9.718 -4.663 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.349 10.707 -3.928 1.00 0.00 C ATOM 1286 C PRO A 80 -2.524 11.447 -2.879 1.00 0.00 C ATOM 1287 O PRO A 80 -2.575 12.674 -2.788 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.432 9.866 -3.252 1.00 0.00 C ATOM 1289 CG PRO A 80 -4.561 8.653 -4.106 1.00 0.00 C ATOM 1290 CD PRO A 80 -3.192 8.391 -4.671 1.00 0.00 C ATOM 0 HA PRO A 80 -3.742 11.482 -4.587 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.150 9.604 -2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.375 10.410 -3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.911 7.801 -3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.287 8.813 -4.903 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.638 7.676 -4.063 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.246 7.979 -5.678 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.767 10.694 -2.090 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.931 11.277 -1.046 1.00 0.00 C ATOM 1300 C PHE A 81 0.257 12.018 -1.650 1.00 0.00 C ATOM 1301 O PHE A 81 0.597 13.121 -1.221 1.00 0.00 O ATOM 1302 CB PHE A 81 -0.437 10.190 -0.092 1.00 0.00 C ATOM 1303 CG PHE A 81 -0.122 10.698 1.286 1.00 0.00 C ATOM 1304 CD1 PHE A 81 -1.129 11.172 2.111 1.00 0.00 C ATOM 1305 CD2 PHE A 81 1.181 10.701 1.756 1.00 0.00 C ATOM 1306 CE1 PHE A 81 -0.842 11.640 3.379 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.475 11.167 3.023 1.00 0.00 C ATOM 1308 CZ PHE A 81 0.462 11.638 3.836 1.00 0.00 C ATOM 0 H PHE A 81 -1.714 9.677 -2.153 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.536 11.992 -0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.195 9.411 -0.018 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.456 9.727 -0.513 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.150 11.176 1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.977 10.335 1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.636 12.007 4.012 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.495 11.163 3.377 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.689 12.004 4.827 1.00 0.00 H new ATOM 1318 N LEU A 82 0.887 11.405 -2.647 1.00 0.00 N ATOM 1319 CA LEU A 82 2.039 12.008 -3.309 1.00 0.00 C ATOM 1320 C LEU A 82 1.667 13.345 -3.942 1.00 0.00 C ATOM 1321 O LEU A 82 2.356 14.346 -3.750 1.00 0.00 O ATOM 1322 CB LEU A 82 2.594 11.061 -4.375 1.00 0.00 C ATOM 1323 CG LEU A 82 3.579 10.012 -3.859 1.00 0.00 C ATOM 1324 CD1 LEU A 82 3.702 8.863 -4.848 1.00 0.00 C ATOM 1325 CD2 LEU A 82 4.939 10.642 -3.599 1.00 0.00 C ATOM 0 H LEU A 82 0.620 10.492 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 82 2.807 12.186 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.760 10.549 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.088 11.654 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 82 3.198 9.615 -2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.407 8.126 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.727 8.395 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.060 9.243 -5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.628 9.881 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.326 11.066 -4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.838 11.430 -2.853 1.00 0.00 H new ATOM 1337 N ALA A 83 0.573 13.353 -4.698 1.00 0.00 N ATOM 1338 CA ALA A 83 0.111 14.567 -5.359 1.00 0.00 C ATOM 1339 C ALA A 83 -0.333 15.612 -4.341 1.00 0.00 C ATOM 1340 O ALA A 83 -0.103 16.807 -4.524 1.00 0.00 O ATOM 1341 CB ALA A 83 -1.026 14.245 -6.317 1.00 0.00 C ATOM 0 H ALA A 83 -0.009 12.533 -4.867 1.00 0.00 H new ATOM 0 HA ALA A 83 0.944 14.982 -5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.362 15.161 -6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.677 13.540 -7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.855 13.804 -5.763 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.970 15.153 -3.269 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.446 16.049 -2.220 1.00 0.00 C ATOM 1349 C LYS A 84 -0.280 16.625 -1.424 1.00 0.00 C ATOM 1350 O LYS A 84 -0.155 17.841 -1.280 1.00 0.00 O ATOM 1351 CB LYS A 84 -2.402 15.308 -1.284 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.857 15.379 -1.717 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.779 14.771 -0.673 1.00 0.00 C ATOM 1354 CE LYS A 84 -6.096 15.524 -0.587 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.717 15.405 0.763 1.00 0.00 N ATOM 0 H LYS A 84 -1.169 14.166 -3.103 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.979 16.873 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.100 14.262 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.310 15.724 -0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.136 16.418 -1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.982 14.854 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.971 13.727 -0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.287 14.784 0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.929 16.576 -0.818 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.785 15.138 -1.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.613 15.932 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.900 14.403 0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.071 15.796 1.478 1.00 0.00 H new ATOM 1369 N TYR A 85 0.571 15.743 -0.909 1.00 0.00 N ATOM 1370 CA TYR A 85 1.727 16.164 -0.125 1.00 0.00 C ATOM 1371 C TYR A 85 2.643 17.066 -0.947 1.00 0.00 C ATOM 1372 O TYR A 85 3.079 18.117 -0.478 1.00 0.00 O ATOM 1373 CB TYR A 85 2.504 14.943 0.370 1.00 0.00 C ATOM 1374 CG TYR A 85 3.053 15.102 1.771 1.00 0.00 C ATOM 1375 CD1 TYR A 85 4.069 16.012 2.040 1.00 0.00 C ATOM 1376 CD2 TYR A 85 2.558 14.343 2.822 1.00 0.00 C ATOM 1377 CE1 TYR A 85 4.574 16.160 3.318 1.00 0.00 C ATOM 1378 CE2 TYR A 85 3.057 14.485 4.103 1.00 0.00 C ATOM 1379 CZ TYR A 85 4.065 15.395 4.345 1.00 0.00 C ATOM 1380 OH TYR A 85 4.565 15.539 5.619 1.00 0.00 O ATOM 0 H TYR A 85 0.482 14.733 -1.020 1.00 0.00 H new ATOM 0 HA TYR A 85 1.366 16.730 0.734 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.851 14.071 0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.329 14.746 -0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.470 16.613 1.237 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.769 13.629 2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.363 16.871 3.511 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.660 13.887 4.910 1.00 0.00 H new ATOM 0 HH TYR A 85 4.097 14.927 6.225 1.00 0.00 H new ATOM 1390 N ARG A 86 2.933 16.647 -2.175 1.00 0.00 N ATOM 1391 CA ARG A 86 3.798 17.417 -3.062 1.00 0.00 C ATOM 1392 C ARG A 86 3.232 18.814 -3.298 1.00 0.00 C ATOM 1393 O ARG A 86 3.959 19.806 -3.250 1.00 0.00 O ATOM 1394 CB ARG A 86 3.969 16.692 -4.398 1.00 0.00 C ATOM 1395 CG ARG A 86 4.929 15.515 -4.333 1.00 0.00 C ATOM 1396 CD ARG A 86 5.005 14.785 -5.664 1.00 0.00 C ATOM 1397 NE ARG A 86 6.347 14.278 -5.934 1.00 0.00 N ATOM 1398 CZ ARG A 86 6.630 13.401 -6.896 1.00 0.00 C ATOM 1399 NH1 ARG A 86 5.666 12.929 -7.677 1.00 0.00 N ATOM 1400 NH2 ARG A 86 7.879 12.993 -7.075 1.00 0.00 N ATOM 0 H ARG A 86 2.582 15.779 -2.578 1.00 0.00 H new ATOM 0 HA ARG A 86 4.772 17.515 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.995 16.338 -4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.327 17.402 -5.144 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.921 15.868 -4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.606 14.823 -3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.298 13.956 -5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.704 15.460 -6.465 1.00 0.00 H new ATOM 0 HE ARG A 86 7.113 14.615 -5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.703 13.238 -7.542 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.888 12.258 -8.412 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.623 13.351 -6.476 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.096 12.321 -7.812 1.00 0.00 H new ATOM 1414 N ASP A 87 1.930 18.884 -3.553 1.00 0.00 N ATOM 1415 CA ASP A 87 1.267 20.160 -3.797 1.00 0.00 C ATOM 1416 C ASP A 87 1.165 20.974 -2.511 1.00 0.00 C ATOM 1417 O ASP A 87 1.192 22.204 -2.540 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.127 19.930 -4.382 1.00 0.00 C ATOM 1419 CG ASP A 87 -0.118 19.888 -5.897 1.00 0.00 C ATOM 1420 OD1 ASP A 87 0.051 20.959 -6.520 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -0.279 18.787 -6.463 1.00 0.00 O ATOM 0 H ASP A 87 1.313 18.073 -3.596 1.00 0.00 H new ATOM 0 HA ASP A 87 1.866 20.722 -4.514 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.529 18.993 -3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.794 20.724 -4.047 1.00 0.00 H new ATOM 1426 N PHE A 88 1.044 20.279 -1.384 1.00 0.00 N ATOM 1427 CA PHE A 88 0.936 20.940 -0.088 1.00 0.00 C ATOM 1428 C PHE A 88 2.196 21.741 0.224 1.00 0.00 C ATOM 1429 O PHE A 88 2.120 22.868 0.712 1.00 0.00 O ATOM 1430 CB PHE A 88 0.688 19.909 1.014 1.00 0.00 C ATOM 1431 CG PHE A 88 -0.171 20.424 2.134 1.00 0.00 C ATOM 1432 CD1 PHE A 88 -1.530 20.613 1.950 1.00 0.00 C ATOM 1433 CD2 PHE A 88 0.383 20.719 3.370 1.00 0.00 C ATOM 1434 CE1 PHE A 88 -2.323 21.089 2.977 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -0.406 21.194 4.401 1.00 0.00 C ATOM 1436 CZ PHE A 88 -1.760 21.379 4.204 1.00 0.00 C ATOM 0 H PHE A 88 1.018 19.260 -1.342 1.00 0.00 H new ATOM 0 HA PHE A 88 0.092 21.629 -0.130 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.214 19.030 0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.646 19.586 1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.976 20.386 0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.442 20.576 3.529 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.382 21.234 2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.036 21.420 5.360 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.378 21.750 5.008 1.00 0.00 H new ATOM 1446 N LEU A 89 3.354 21.153 -0.059 1.00 0.00 N ATOM 1447 CA LEU A 89 4.629 21.816 0.194 1.00 0.00 C ATOM 1448 C LEU A 89 5.476 21.874 -1.075 1.00 0.00 C ATOM 1449 O LEU A 89 5.852 22.954 -1.532 1.00 0.00 O ATOM 1450 CB LEU A 89 5.400 21.094 1.305 1.00 0.00 C ATOM 1451 CG LEU A 89 5.106 19.598 1.443 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.361 18.841 1.848 1.00 0.00 C ATOM 1453 CD2 LEU A 89 3.991 19.365 2.454 1.00 0.00 C ATOM 0 H LEU A 89 3.436 20.220 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 89 4.418 22.836 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.467 21.222 1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.176 21.580 2.254 1.00 0.00 H new ATOM 0 HG LEU A 89 4.777 19.222 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.132 17.779 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.131 18.981 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.721 19.219 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.795 18.296 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.293 19.758 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.086 19.874 2.122 1.00 0.00 H new ATOM 1465 N LYS A 90 5.774 20.708 -1.638 1.00 0.00 N ATOM 1466 CA LYS A 90 6.577 20.630 -2.854 1.00 0.00 C ATOM 1467 C LYS A 90 6.626 19.200 -3.384 1.00 0.00 C ATOM 1468 O LYS A 90 6.358 19.007 -4.587 1.00 0.00 O ATOM 1469 CB LYS A 90 7.996 21.137 -2.588 1.00 0.00 C ATOM 1470 CG LYS A 90 8.812 21.350 -3.851 1.00 0.00 C ATOM 1471 CD LYS A 90 10.304 21.328 -3.562 1.00 0.00 C ATOM 1472 CE LYS A 90 11.096 20.819 -4.756 1.00 0.00 C ATOM 1473 NZ LYS A 90 11.169 21.831 -5.845 1.00 0.00 N ATOM 1474 OXT LYS A 90 6.933 18.287 -2.589 1.00 1.00 O ATOM 0 H LYS A 90 5.472 19.805 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 90 6.109 21.262 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.940 22.077 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.514 20.423 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.570 20.574 -4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.542 22.304 -4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.640 22.332 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.499 20.693 -2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.104 20.555 -4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.634 19.908 -5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.717 21.446 -6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.208 22.064 -6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.633 22.691 -5.489 1.00 0.00 H new