USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 743 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 52 THR OG1 : rot 111:sc= 0.229 USER MOD Set 1.2: A 53 ASN : amide:sc= 0.916 K(o=1.1,f=-3.9!) USER MOD Set 2.1: A 33 LYS NZ :NH3+ 164:sc= 0.757 (180deg=0) USER MOD Set 2.2: A 50 ASN : amide:sc= 0.678 K(o=1.4,f=-1.5) USER MOD Set 3.1: A 28 ASN : amide:sc= 0.605 K(o=1.3,f=-0.0012) USER MOD Set 3.2: A 30 ASN : amide:sc= 0.668 K(o=1.3,f=-2.7!) USER MOD Set 4.1: A 2 SER OG : rot 170:sc= 0.671 USER MOD Set 4.2: A 5 LYS NZ :NH3+ -169:sc= 0.684 (180deg=0) USER MOD Set 5.1: A 1 SER OG : rot 180:sc= 0.761 USER MOD Set 5.2: A 55 LYS NZ :NH3+ 147:sc= 2 (180deg=0.0632) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -133:sc= 0.0746 (180deg=0) USER MOD Single : A 12 CYS SG : rot 83:sc= 0.229 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -174:sc= -0.371 (180deg=-0.456) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 15:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.0228 K(o=0.023,f=-0.66) USER MOD Single : A 35 MET CE :methyl -176:sc= 0 (180deg=-0.0306) USER MOD Single : A 36 CYS SG : rot 31:sc= 0.0451 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -177:sc= 0 (180deg=-0.0135) USER MOD Single : A 51 SER OG : rot 150:sc= 1.32 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0.601 K(o=0.6,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.395 K(o=0.4,f=-0.77) USER MOD Single : A 67 ASN : amide:sc= 0.714 K(o=0.71,f=-4.7!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0.00339 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 21.091 3.590 8.915 1.00 0.00 N ATOM 2 CA GLY A -3 20.070 2.721 8.288 1.00 0.00 C ATOM 3 C GLY A -3 18.777 2.691 9.091 1.00 0.00 C ATOM 4 O GLY A -3 18.575 3.497 10.000 1.00 0.00 O ATOM 0 H1 GLY A -3 21.511 4.209 8.193 1.00 0.00 H new ATOM 0 H2 GLY A -3 20.646 4.172 9.653 1.00 0.00 H new ATOM 0 H3 GLY A -3 21.835 3.001 9.340 1.00 0.00 H new ATOM 0 HA2 GLY A -3 19.862 3.076 7.279 1.00 0.00 H new ATOM 0 HA3 GLY A -3 20.463 1.709 8.195 1.00 0.00 H new ATOM 10 N SER A -2 17.883 1.754 8.772 1.00 0.00 N ATOM 11 CA SER A -2 16.553 1.603 9.392 1.00 0.00 C ATOM 12 C SER A -2 15.934 0.219 9.100 1.00 0.00 C ATOM 13 O SER A -2 16.437 -0.546 8.272 1.00 0.00 O ATOM 14 CB SER A -2 15.607 2.727 8.922 1.00 0.00 C ATOM 15 OG SER A -2 15.348 2.659 7.522 1.00 0.00 O ATOM 0 H SER A -2 18.064 1.054 8.053 1.00 0.00 H new ATOM 0 HA SER A -2 16.686 1.680 10.471 1.00 0.00 H new ATOM 0 HB2 SER A -2 14.666 2.660 9.468 1.00 0.00 H new ATOM 0 HB3 SER A -2 16.047 3.695 9.162 1.00 0.00 H new ATOM 0 HG SER A -2 14.744 3.387 7.265 1.00 0.00 H new ATOM 21 N SER A -1 14.827 -0.116 9.768 1.00 0.00 N ATOM 22 CA SER A -1 14.124 -1.409 9.636 1.00 0.00 C ATOM 23 C SER A -1 13.150 -1.477 8.437 1.00 0.00 C ATOM 24 O SER A -1 12.327 -2.394 8.356 1.00 0.00 O ATOM 25 CB SER A -1 13.385 -1.730 10.948 1.00 0.00 C ATOM 26 OG SER A -1 14.254 -1.668 12.075 1.00 0.00 O ATOM 0 H SER A -1 14.379 0.514 10.433 1.00 0.00 H new ATOM 0 HA SER A -1 14.889 -2.160 9.436 1.00 0.00 H new ATOM 0 HB2 SER A -1 12.564 -1.026 11.084 1.00 0.00 H new ATOM 0 HB3 SER A -1 12.945 -2.725 10.883 1.00 0.00 H new ATOM 0 HG SER A -1 13.749 -1.876 12.889 1.00 0.00 H new ATOM 32 N GLY A 0 13.201 -0.507 7.511 1.00 0.00 N ATOM 33 CA GLY A 0 12.328 -0.422 6.332 1.00 0.00 C ATOM 34 C GLY A 0 12.715 -1.415 5.229 1.00 0.00 C ATOM 35 O GLY A 0 13.897 -1.648 4.975 1.00 0.00 O ATOM 0 H GLY A 0 13.870 0.261 7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 0 11.298 -0.607 6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 0 12.365 0.591 5.931 1.00 0.00 H new ATOM 39 N SER A 1 11.715 -1.981 4.548 1.00 0.00 N ATOM 40 CA SER A 1 11.905 -3.064 3.559 1.00 0.00 C ATOM 41 C SER A 1 10.735 -3.264 2.565 1.00 0.00 C ATOM 42 O SER A 1 10.750 -4.201 1.765 1.00 0.00 O ATOM 43 CB SER A 1 12.220 -4.383 4.291 1.00 0.00 C ATOM 44 OG SER A 1 11.167 -4.775 5.170 1.00 0.00 O ATOM 0 H SER A 1 10.740 -1.704 4.663 1.00 0.00 H new ATOM 0 HA SER A 1 12.745 -2.752 2.939 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.392 -5.171 3.558 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.143 -4.270 4.860 1.00 0.00 H new ATOM 0 HG SER A 1 11.406 -5.616 5.612 1.00 0.00 H new ATOM 50 N SER A 2 9.710 -2.406 2.578 1.00 0.00 N ATOM 51 CA SER A 2 8.513 -2.526 1.732 1.00 0.00 C ATOM 52 C SER A 2 8.758 -1.953 0.319 1.00 0.00 C ATOM 53 O SER A 2 8.940 -0.746 0.134 1.00 0.00 O ATOM 54 CB SER A 2 7.314 -1.887 2.458 1.00 0.00 C ATOM 55 OG SER A 2 7.657 -0.742 3.242 1.00 0.00 O ATOM 0 H SER A 2 9.687 -1.590 3.190 1.00 0.00 H new ATOM 0 HA SER A 2 8.277 -3.578 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.566 -1.599 1.720 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.853 -2.634 3.105 1.00 0.00 H new ATOM 0 HG SER A 2 6.839 -0.294 3.542 1.00 0.00 H new ATOM 61 N GLY A 3 8.772 -2.826 -0.702 1.00 0.00 N ATOM 62 CA GLY A 3 9.221 -2.491 -2.063 1.00 0.00 C ATOM 63 C GLY A 3 8.232 -1.660 -2.877 1.00 0.00 C ATOM 64 O GLY A 3 8.637 -0.716 -3.549 1.00 0.00 O ATOM 0 H GLY A 3 8.468 -3.795 -0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.163 -1.946 -1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.426 -3.417 -2.601 1.00 0.00 H new ATOM 68 N ILE A 4 6.934 -1.962 -2.797 1.00 0.00 N ATOM 69 CA ILE A 4 5.873 -1.162 -3.452 1.00 0.00 C ATOM 70 C ILE A 4 5.626 0.176 -2.729 1.00 0.00 C ATOM 71 O ILE A 4 5.321 1.184 -3.361 1.00 0.00 O ATOM 72 CB ILE A 4 4.597 -2.018 -3.642 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.458 -1.298 -4.397 1.00 0.00 C ATOM 74 CG2 ILE A 4 4.042 -2.517 -2.299 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.792 -0.895 -5.834 1.00 0.00 C ATOM 0 H ILE A 4 6.580 -2.766 -2.279 1.00 0.00 H new ATOM 0 HA ILE A 4 6.212 -0.878 -4.448 1.00 0.00 H new ATOM 0 HB ILE A 4 4.928 -2.856 -4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.583 -1.948 -4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.181 -0.403 -3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.147 -3.114 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.793 -3.128 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.791 -1.663 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.932 -0.397 -6.281 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.645 -0.216 -5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.038 -1.785 -6.414 1.00 0.00 H new ATOM 87 N LYS A 5 5.877 0.223 -1.418 1.00 0.00 N ATOM 88 CA LYS A 5 5.911 1.460 -0.625 1.00 0.00 C ATOM 89 C LYS A 5 7.058 2.363 -1.107 1.00 0.00 C ATOM 90 O LYS A 5 6.853 3.539 -1.406 1.00 0.00 O ATOM 91 CB LYS A 5 6.032 1.035 0.851 1.00 0.00 C ATOM 92 CG LYS A 5 5.735 2.081 1.937 1.00 0.00 C ATOM 93 CD LYS A 5 6.688 3.287 2.030 1.00 0.00 C ATOM 94 CE LYS A 5 8.188 2.948 2.113 1.00 0.00 C ATOM 95 NZ LYS A 5 8.530 2.097 3.285 1.00 0.00 N ATOM 0 H LYS A 5 6.066 -0.613 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 5 5.007 2.058 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.361 0.191 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.047 0.670 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.726 2.459 1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.735 1.575 2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.526 3.923 1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.418 3.873 2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.490 2.436 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.761 3.874 2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.563 2.056 3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.106 2.502 4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.160 1.137 3.137 1.00 0.00 H new ATOM 109 N ASN A 6 8.260 1.796 -1.264 1.00 0.00 N ATOM 110 CA ASN A 6 9.418 2.496 -1.826 1.00 0.00 C ATOM 111 C ASN A 6 9.215 2.891 -3.304 1.00 0.00 C ATOM 112 O ASN A 6 9.731 3.922 -3.731 1.00 0.00 O ATOM 113 CB ASN A 6 10.666 1.619 -1.653 1.00 0.00 C ATOM 114 CG ASN A 6 11.944 2.349 -2.064 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.271 3.409 -1.545 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.697 1.808 -3.004 1.00 0.00 N ATOM 0 H ASN A 6 8.456 0.830 -1.002 1.00 0.00 H new ATOM 0 HA ASN A 6 9.546 3.432 -1.282 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.747 1.306 -0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.558 0.714 -2.251 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.555 2.273 -3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.421 0.925 -3.433 1.00 0.00 H new ATOM 123 N PHE A 7 8.425 2.130 -4.073 1.00 0.00 N ATOM 124 CA PHE A 7 8.094 2.457 -5.464 1.00 0.00 C ATOM 125 C PHE A 7 7.212 3.709 -5.552 1.00 0.00 C ATOM 126 O PHE A 7 7.519 4.603 -6.338 1.00 0.00 O ATOM 127 CB PHE A 7 7.415 1.258 -6.136 1.00 0.00 C ATOM 128 CG PHE A 7 7.018 1.505 -7.578 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.956 1.326 -8.612 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.714 1.938 -7.885 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.587 1.574 -9.946 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.348 2.189 -9.219 1.00 0.00 C ATOM 133 CZ PHE A 7 6.283 2.002 -10.251 1.00 0.00 C ATOM 0 H PHE A 7 7.996 1.265 -3.744 1.00 0.00 H new ATOM 0 HA PHE A 7 9.021 2.678 -5.994 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.089 0.402 -6.097 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.526 0.990 -5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.959 0.998 -8.381 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.993 2.078 -7.093 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.307 1.435 -10.739 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.348 2.526 -9.451 1.00 0.00 H new ATOM 0 HZ PHE A 7 6.000 2.187 -11.277 1.00 0.00 H new ATOM 143 N LEU A 8 6.169 3.814 -4.715 1.00 0.00 N ATOM 144 CA LEU A 8 5.351 5.029 -4.626 1.00 0.00 C ATOM 145 C LEU A 8 6.186 6.225 -4.150 1.00 0.00 C ATOM 146 O LEU A 8 6.082 7.312 -4.715 1.00 0.00 O ATOM 147 CB LEU A 8 4.146 4.768 -3.702 1.00 0.00 C ATOM 148 CG LEU A 8 3.164 5.954 -3.571 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.649 6.470 -4.924 1.00 0.00 C ATOM 150 CD2 LEU A 8 1.967 5.528 -2.710 1.00 0.00 C ATOM 0 H LEU A 8 5.872 3.067 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 8 4.978 5.284 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.600 3.902 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.516 4.509 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 8 3.716 6.771 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.964 7.302 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.491 6.807 -5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.126 5.668 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.272 6.362 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.461 4.686 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.317 5.233 -1.721 1.00 0.00 H new ATOM 162 N TYR A 9 7.060 6.020 -3.161 1.00 0.00 N ATOM 163 CA TYR A 9 7.950 7.065 -2.649 1.00 0.00 C ATOM 164 C TYR A 9 8.945 7.574 -3.714 1.00 0.00 C ATOM 165 O TYR A 9 9.133 8.782 -3.858 1.00 0.00 O ATOM 166 CB TYR A 9 8.670 6.538 -1.398 1.00 0.00 C ATOM 167 CG TYR A 9 9.403 7.608 -0.611 1.00 0.00 C ATOM 168 CD1 TYR A 9 10.715 7.982 -0.966 1.00 0.00 C ATOM 169 CD2 TYR A 9 8.766 8.239 0.475 1.00 0.00 C ATOM 170 CE1 TYR A 9 11.382 8.994 -0.250 1.00 0.00 C ATOM 171 CE2 TYR A 9 9.428 9.250 1.196 1.00 0.00 C ATOM 172 CZ TYR A 9 10.738 9.635 0.834 1.00 0.00 C ATOM 173 OH TYR A 9 11.374 10.616 1.533 1.00 0.00 O ATOM 0 H TYR A 9 7.170 5.121 -2.691 1.00 0.00 H new ATOM 0 HA TYR A 9 7.347 7.932 -2.380 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.940 6.058 -0.746 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.383 5.770 -1.698 1.00 0.00 H new ATOM 0 HD1 TYR A 9 11.210 7.490 -1.790 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.765 7.946 0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.385 9.281 -0.528 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.934 9.732 2.027 1.00 0.00 H new ATOM 0 HH TYR A 9 10.785 10.947 2.243 1.00 0.00 H new ATOM 183 N ALA A 10 9.535 6.669 -4.503 1.00 0.00 N ATOM 184 CA ALA A 10 10.441 6.999 -5.606 1.00 0.00 C ATOM 185 C ALA A 10 9.713 7.677 -6.781 1.00 0.00 C ATOM 186 O ALA A 10 10.229 8.641 -7.343 1.00 0.00 O ATOM 187 CB ALA A 10 11.155 5.715 -6.047 1.00 0.00 C ATOM 0 H ALA A 10 9.392 5.666 -4.389 1.00 0.00 H new ATOM 0 HA ALA A 10 11.174 7.727 -5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.835 5.941 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.721 5.307 -5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.417 4.983 -6.377 1.00 0.00 H new ATOM 193 N TRP A 11 8.496 7.234 -7.112 1.00 0.00 N ATOM 194 CA TRP A 11 7.635 7.870 -8.113 1.00 0.00 C ATOM 195 C TRP A 11 7.288 9.313 -7.719 1.00 0.00 C ATOM 196 O TRP A 11 7.435 10.231 -8.526 1.00 0.00 O ATOM 197 CB TRP A 11 6.369 7.023 -8.287 1.00 0.00 C ATOM 198 CG TRP A 11 5.353 7.601 -9.223 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.274 7.385 -10.555 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.251 8.503 -8.901 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.210 8.094 -11.080 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.557 8.819 -10.105 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.765 9.081 -7.709 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.458 9.687 -10.122 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.654 9.943 -7.714 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.004 10.254 -8.920 1.00 0.00 C ATOM 0 H TRP A 11 8.075 6.409 -6.684 1.00 0.00 H new ATOM 0 HA TRP A 11 8.168 7.924 -9.062 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.656 6.036 -8.649 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.905 6.883 -7.311 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.941 6.754 -11.123 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.942 8.083 -12.064 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.256 8.857 -6.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.963 9.919 -11.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.299 10.368 -6.787 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.159 10.926 -8.923 1.00 0.00 H new ATOM 217 N CYS A 12 6.909 9.526 -6.454 1.00 0.00 N ATOM 218 CA CYS A 12 6.702 10.861 -5.881 1.00 0.00 C ATOM 219 C CYS A 12 7.974 11.725 -5.975 1.00 0.00 C ATOM 220 O CYS A 12 7.907 12.869 -6.428 1.00 0.00 O ATOM 221 CB CYS A 12 6.245 10.718 -4.422 1.00 0.00 C ATOM 222 SG CYS A 12 4.556 10.067 -4.302 1.00 0.00 S ATOM 0 H CYS A 12 6.736 8.769 -5.793 1.00 0.00 H new ATOM 0 HA CYS A 12 5.930 11.371 -6.457 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.928 10.055 -3.891 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.296 11.689 -3.929 1.00 0.00 H new ATOM 0 HG CYS A 12 4.582 8.771 -4.403 1.00 0.00 H new ATOM 228 N GLY A 13 9.140 11.168 -5.625 1.00 0.00 N ATOM 229 CA GLY A 13 10.431 11.870 -5.629 1.00 0.00 C ATOM 230 C GLY A 13 10.921 12.268 -7.025 1.00 0.00 C ATOM 231 O GLY A 13 11.602 13.284 -7.164 1.00 0.00 O ATOM 0 H GLY A 13 9.215 10.196 -5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.347 12.767 -5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.181 11.233 -5.160 1.00 0.00 H new ATOM 235 N LYS A 14 10.517 11.541 -8.072 1.00 0.00 N ATOM 236 CA LYS A 14 10.786 11.886 -9.481 1.00 0.00 C ATOM 237 C LYS A 14 9.852 12.995 -10.013 1.00 0.00 C ATOM 238 O LYS A 14 10.064 13.515 -11.112 1.00 0.00 O ATOM 239 CB LYS A 14 10.693 10.603 -10.331 1.00 0.00 C ATOM 240 CG LYS A 14 11.897 9.671 -10.098 1.00 0.00 C ATOM 241 CD LYS A 14 11.724 8.295 -10.759 1.00 0.00 C ATOM 242 CE LYS A 14 11.636 8.395 -12.290 1.00 0.00 C ATOM 243 NZ LYS A 14 11.555 7.053 -12.927 1.00 0.00 N ATOM 0 H LYS A 14 9.983 10.678 -7.967 1.00 0.00 H new ATOM 0 HA LYS A 14 11.792 12.299 -9.551 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.772 10.073 -10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.639 10.870 -11.386 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.798 10.145 -10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.045 9.538 -9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.562 7.654 -10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.821 7.820 -10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.760 8.982 -12.566 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.509 8.926 -12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.497 7.162 -13.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.403 6.502 -12.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.709 6.556 -12.583 1.00 0.00 H new ATOM 257 N ARG A 15 8.838 13.366 -9.221 1.00 0.00 N ATOM 258 CA ARG A 15 7.801 14.367 -9.509 1.00 0.00 C ATOM 259 C ARG A 15 7.800 15.534 -8.496 1.00 0.00 C ATOM 260 O ARG A 15 6.870 16.339 -8.489 1.00 0.00 O ATOM 261 CB ARG A 15 6.438 13.652 -9.546 1.00 0.00 C ATOM 262 CG ARG A 15 6.343 12.572 -10.639 1.00 0.00 C ATOM 263 CD ARG A 15 4.992 11.852 -10.638 1.00 0.00 C ATOM 264 NE ARG A 15 3.878 12.746 -11.017 1.00 0.00 N ATOM 265 CZ ARG A 15 3.018 12.576 -12.016 1.00 0.00 C ATOM 266 NH1 ARG A 15 3.088 11.592 -12.882 1.00 0.00 N ATOM 267 NH2 ARG A 15 2.021 13.411 -12.187 1.00 0.00 N ATOM 0 H ARG A 15 8.711 12.947 -8.300 1.00 0.00 H new ATOM 0 HA ARG A 15 8.012 14.823 -10.476 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.250 13.193 -8.575 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.653 14.391 -9.707 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.505 13.032 -11.614 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.140 11.842 -10.494 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.031 11.011 -11.330 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.803 11.441 -9.646 1.00 0.00 H new ATOM 0 HE ARG A 15 3.756 13.585 -10.450 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.835 10.901 -12.810 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.395 11.518 -13.627 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.901 14.199 -11.550 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.366 13.272 -12.957 1.00 0.00 H new ATOM 281 N LYS A 16 8.816 15.617 -7.621 1.00 0.00 N ATOM 282 CA LYS A 16 8.990 16.643 -6.568 1.00 0.00 C ATOM 283 C LYS A 16 7.896 16.597 -5.468 1.00 0.00 C ATOM 284 O LYS A 16 7.540 17.622 -4.879 1.00 0.00 O ATOM 285 CB LYS A 16 9.188 18.047 -7.189 1.00 0.00 C ATOM 286 CG LYS A 16 10.371 18.110 -8.172 1.00 0.00 C ATOM 287 CD LYS A 16 10.579 19.541 -8.686 1.00 0.00 C ATOM 288 CE LYS A 16 11.762 19.581 -9.663 1.00 0.00 C ATOM 289 NZ LYS A 16 12.000 20.953 -10.183 1.00 0.00 N ATOM 0 H LYS A 16 9.578 14.939 -7.625 1.00 0.00 H new ATOM 0 HA LYS A 16 9.908 16.399 -6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.276 18.340 -7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.347 18.772 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.278 17.761 -7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.187 17.440 -9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.675 19.893 -9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.765 20.214 -7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.660 19.221 -9.161 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.569 18.905 -10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.806 20.940 -10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.151 21.287 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.209 21.593 -9.390 1.00 0.00 H new ATOM 303 N MET A 17 7.359 15.403 -5.191 1.00 0.00 N ATOM 304 CA MET A 17 6.325 15.114 -4.182 1.00 0.00 C ATOM 305 C MET A 17 6.841 14.142 -3.105 1.00 0.00 C ATOM 306 O MET A 17 7.904 13.533 -3.261 1.00 0.00 O ATOM 307 CB MET A 17 5.091 14.506 -4.881 1.00 0.00 C ATOM 308 CG MET A 17 4.463 15.447 -5.912 1.00 0.00 C ATOM 309 SD MET A 17 2.875 14.895 -6.592 1.00 0.00 S ATOM 310 CE MET A 17 3.337 13.271 -7.248 1.00 0.00 C ATOM 0 H MET A 17 7.649 14.563 -5.692 1.00 0.00 H new ATOM 0 HA MET A 17 6.058 16.048 -3.688 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.380 13.578 -5.373 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.344 14.249 -4.129 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.323 16.424 -5.451 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.166 15.581 -6.734 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.495 12.846 -7.794 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.188 13.379 -7.920 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.606 12.609 -6.425 1.00 0.00 H new ATOM 320 N THR A 18 6.032 13.939 -2.056 1.00 0.00 N ATOM 321 CA THR A 18 6.251 12.970 -0.963 1.00 0.00 C ATOM 322 C THR A 18 4.895 12.366 -0.561 1.00 0.00 C ATOM 323 O THR A 18 3.959 13.144 -0.351 1.00 0.00 O ATOM 324 CB THR A 18 6.903 13.659 0.250 1.00 0.00 C ATOM 325 OG1 THR A 18 8.063 14.353 -0.159 1.00 0.00 O ATOM 326 CG2 THR A 18 7.332 12.650 1.319 1.00 0.00 C ATOM 0 H THR A 18 5.168 14.467 -1.937 1.00 0.00 H new ATOM 0 HA THR A 18 6.923 12.183 -1.305 1.00 0.00 H new ATOM 0 HB THR A 18 6.157 14.335 0.667 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.473 14.791 0.616 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.787 13.179 2.157 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.460 12.098 1.669 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.055 11.954 0.893 1.00 0.00 H new ATOM 334 N PRO A 19 4.753 11.028 -0.452 1.00 0.00 N ATOM 335 CA PRO A 19 3.510 10.392 -0.023 1.00 0.00 C ATOM 336 C PRO A 19 3.342 10.495 1.500 1.00 0.00 C ATOM 337 O PRO A 19 4.322 10.505 2.247 1.00 0.00 O ATOM 338 CB PRO A 19 3.622 8.937 -0.485 1.00 0.00 C ATOM 339 CG PRO A 19 5.121 8.666 -0.382 1.00 0.00 C ATOM 340 CD PRO A 19 5.755 10.010 -0.746 1.00 0.00 C ATOM 0 HA PRO A 19 2.631 10.875 -0.450 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.045 8.265 0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.256 8.806 -1.503 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.403 8.348 0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.434 7.877 -1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.664 10.180 -0.168 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.037 10.035 -1.799 1.00 0.00 H new ATOM 348 N ALA A 20 2.088 10.546 1.956 1.00 0.00 N ATOM 349 CA ALA A 20 1.720 10.647 3.368 1.00 0.00 C ATOM 350 C ALA A 20 0.847 9.454 3.788 1.00 0.00 C ATOM 351 O ALA A 20 -0.256 9.272 3.273 1.00 0.00 O ATOM 352 CB ALA A 20 1.008 11.989 3.589 1.00 0.00 C ATOM 0 H ALA A 20 1.279 10.517 1.335 1.00 0.00 H new ATOM 0 HA ALA A 20 2.612 10.614 3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.725 12.083 4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.678 12.805 3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.114 12.033 2.967 1.00 0.00 H new ATOM 358 N TYR A 21 1.350 8.652 4.732 1.00 0.00 N ATOM 359 CA TYR A 21 0.709 7.431 5.240 1.00 0.00 C ATOM 360 C TYR A 21 0.015 7.647 6.601 1.00 0.00 C ATOM 361 O TYR A 21 0.389 8.541 7.367 1.00 0.00 O ATOM 362 CB TYR A 21 1.760 6.312 5.369 1.00 0.00 C ATOM 363 CG TYR A 21 2.359 5.825 4.062 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.461 6.493 3.492 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.824 4.690 3.421 1.00 0.00 C ATOM 366 CE1 TYR A 21 4.001 6.053 2.270 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.357 4.245 2.196 1.00 0.00 C ATOM 368 CZ TYR A 21 3.438 4.943 1.606 1.00 0.00 C ATOM 369 OH TYR A 21 3.927 4.565 0.392 1.00 0.00 O ATOM 0 H TYR A 21 2.247 8.840 5.180 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.063 7.149 4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.568 6.668 6.008 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.302 5.464 5.877 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.892 7.346 3.995 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.000 4.158 3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.848 6.566 1.839 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.943 3.375 1.709 1.00 0.00 H new ATOM 0 HH TYR A 21 4.793 4.998 0.239 1.00 0.00 H new ATOM 379 N GLU A 22 -0.949 6.785 6.934 1.00 0.00 N ATOM 380 CA GLU A 22 -1.576 6.693 8.259 1.00 0.00 C ATOM 381 C GLU A 22 -1.972 5.238 8.563 1.00 0.00 C ATOM 382 O GLU A 22 -2.246 4.466 7.643 1.00 0.00 O ATOM 383 CB GLU A 22 -2.764 7.672 8.345 1.00 0.00 C ATOM 384 CG GLU A 22 -3.447 7.748 9.719 1.00 0.00 C ATOM 385 CD GLU A 22 -2.476 8.174 10.831 1.00 0.00 C ATOM 386 OE1 GLU A 22 -1.750 7.300 11.362 1.00 0.00 O ATOM 387 OE2 GLU A 22 -2.436 9.378 11.179 1.00 0.00 O ATOM 0 H GLU A 22 -1.328 6.110 6.270 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.863 6.988 9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.414 8.668 8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.508 7.383 7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.275 8.456 9.672 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.873 6.775 9.965 1.00 0.00 H new ATOM 394 N ILE A 23 -1.968 4.845 9.844 1.00 0.00 N ATOM 395 CA ILE A 23 -2.100 3.450 10.323 1.00 0.00 C ATOM 396 C ILE A 23 -3.079 3.360 11.512 1.00 0.00 C ATOM 397 O ILE A 23 -3.161 4.279 12.331 1.00 0.00 O ATOM 398 CB ILE A 23 -0.691 2.883 10.672 1.00 0.00 C ATOM 399 CG1 ILE A 23 0.176 2.773 9.392 1.00 0.00 C ATOM 400 CG2 ILE A 23 -0.754 1.515 11.387 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.599 2.247 9.608 1.00 0.00 C ATOM 0 H ILE A 23 -1.869 5.511 10.610 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.524 2.835 9.529 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.234 3.586 11.368 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.332 2.118 8.684 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.237 3.758 8.928 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.257 1.171 11.604 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.311 1.617 12.319 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.253 0.791 10.743 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.122 2.208 8.652 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.133 2.911 10.287 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.556 1.247 10.039 1.00 0.00 H new ATOM 413 N ARG A 24 -3.798 2.231 11.625 1.00 0.00 N ATOM 414 CA ARG A 24 -4.733 1.914 12.719 1.00 0.00 C ATOM 415 C ARG A 24 -4.655 0.430 13.098 1.00 0.00 C ATOM 416 O ARG A 24 -4.621 -0.433 12.224 1.00 0.00 O ATOM 417 CB ARG A 24 -6.159 2.289 12.284 1.00 0.00 C ATOM 418 CG ARG A 24 -7.185 2.173 13.423 1.00 0.00 C ATOM 419 CD ARG A 24 -8.560 2.690 12.989 1.00 0.00 C ATOM 420 NE ARG A 24 -9.569 2.453 14.037 1.00 0.00 N ATOM 421 CZ ARG A 24 -10.858 2.766 13.975 1.00 0.00 C ATOM 422 NH1 ARG A 24 -11.384 3.358 12.923 1.00 0.00 N ATOM 423 NH2 ARG A 24 -11.647 2.482 14.988 1.00 0.00 N ATOM 0 H ARG A 24 -3.742 1.485 10.931 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.458 2.491 13.602 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.160 3.311 11.904 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.464 1.643 11.461 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.268 1.132 13.736 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.838 2.739 14.287 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.499 3.756 12.772 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.865 2.194 12.067 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.245 2.005 14.894 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.797 3.590 12.122 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.379 3.584 12.909 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.268 2.023 15.817 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.638 2.720 14.945 1.00 0.00 H new ATOM 437 N ALA A 25 -4.662 0.119 14.393 1.00 0.00 N ATOM 438 CA ALA A 25 -4.705 -1.254 14.912 1.00 0.00 C ATOM 439 C ALA A 25 -6.157 -1.752 15.053 1.00 0.00 C ATOM 440 O ALA A 25 -7.037 -0.988 15.451 1.00 0.00 O ATOM 441 CB ALA A 25 -3.959 -1.300 16.252 1.00 0.00 C ATOM 0 H ALA A 25 -4.638 0.826 15.128 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.213 -1.925 14.207 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.984 -2.315 16.648 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.923 -0.994 16.103 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.439 -0.623 16.959 1.00 0.00 H new ATOM 447 N VAL A 26 -6.400 -3.029 14.746 1.00 0.00 N ATOM 448 CA VAL A 26 -7.729 -3.681 14.752 1.00 0.00 C ATOM 449 C VAL A 26 -7.624 -5.154 15.179 1.00 0.00 C ATOM 450 O VAL A 26 -6.541 -5.737 15.153 1.00 0.00 O ATOM 451 CB VAL A 26 -8.455 -3.561 13.386 1.00 0.00 C ATOM 452 CG1 VAL A 26 -8.845 -2.112 13.051 1.00 0.00 C ATOM 453 CG2 VAL A 26 -7.648 -4.151 12.217 1.00 0.00 C ATOM 0 H VAL A 26 -5.653 -3.669 14.475 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.332 -3.148 15.487 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.363 -4.153 13.506 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.350 -2.085 12.085 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.514 -1.728 13.821 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.948 -1.494 13.009 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.211 -4.035 11.291 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.696 -3.627 12.131 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.464 -5.210 12.400 1.00 0.00 H new ATOM 463 N GLY A 27 -8.746 -5.754 15.593 1.00 0.00 N ATOM 464 CA GLY A 27 -8.819 -7.125 16.121 1.00 0.00 C ATOM 465 C GLY A 27 -8.365 -7.241 17.582 1.00 0.00 C ATOM 466 O GLY A 27 -7.611 -6.406 18.086 1.00 0.00 O ATOM 0 H GLY A 27 -9.653 -5.289 15.570 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.845 -7.484 16.038 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.202 -7.777 15.504 1.00 0.00 H new ATOM 470 N ASN A 28 -8.805 -8.304 18.263 1.00 0.00 N ATOM 471 CA ASN A 28 -8.399 -8.605 19.644 1.00 0.00 C ATOM 472 C ASN A 28 -6.906 -8.989 19.730 1.00 0.00 C ATOM 473 O ASN A 28 -6.328 -9.473 18.756 1.00 0.00 O ATOM 474 CB ASN A 28 -9.314 -9.703 20.212 1.00 0.00 C ATOM 475 CG ASN A 28 -9.110 -9.897 21.714 1.00 0.00 C ATOM 476 OD1 ASN A 28 -9.282 -8.978 22.504 1.00 0.00 O ATOM 477 ND2 ASN A 28 -8.709 -11.077 22.147 1.00 0.00 N ATOM 0 H ASN A 28 -9.456 -8.985 17.872 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.513 -7.708 20.253 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.355 -9.444 20.018 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.117 -10.642 19.695 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.542 -11.225 23.142 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.566 -11.841 21.487 1.00 0.00 H new ATOM 484 N LYS A 29 -6.271 -8.797 20.893 1.00 0.00 N ATOM 485 CA LYS A 29 -4.811 -8.907 21.085 1.00 0.00 C ATOM 486 C LYS A 29 -4.159 -10.241 20.646 1.00 0.00 C ATOM 487 O LYS A 29 -2.999 -10.247 20.232 1.00 0.00 O ATOM 488 CB LYS A 29 -4.476 -8.556 22.549 1.00 0.00 C ATOM 489 CG LYS A 29 -5.047 -9.543 23.586 1.00 0.00 C ATOM 490 CD LYS A 29 -4.707 -9.092 25.012 1.00 0.00 C ATOM 491 CE LYS A 29 -5.290 -10.080 26.032 1.00 0.00 C ATOM 492 NZ LYS A 29 -4.985 -9.673 27.430 1.00 0.00 N ATOM 0 H LYS A 29 -6.767 -8.555 21.751 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.362 -8.190 20.398 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.393 -8.516 22.662 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.856 -7.558 22.767 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.129 -9.614 23.470 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.642 -10.539 23.408 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.626 -9.028 25.133 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.107 -8.094 25.191 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.370 -10.145 25.899 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.886 -11.075 25.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.395 -10.364 28.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.954 -9.636 27.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.392 -8.734 27.615 1.00 0.00 H new ATOM 506 N ASN A 30 -4.899 -11.356 20.666 1.00 0.00 N ATOM 507 CA ASN A 30 -4.426 -12.678 20.216 1.00 0.00 C ATOM 508 C ASN A 30 -4.426 -12.865 18.682 1.00 0.00 C ATOM 509 O ASN A 30 -3.673 -13.683 18.149 1.00 0.00 O ATOM 510 CB ASN A 30 -5.274 -13.770 20.889 1.00 0.00 C ATOM 511 CG ASN A 30 -6.713 -13.852 20.381 1.00 0.00 C ATOM 512 OD1 ASN A 30 -7.415 -12.853 20.282 1.00 0.00 O ATOM 513 ND2 ASN A 30 -7.193 -15.031 20.032 1.00 0.00 N ATOM 0 H ASN A 30 -5.862 -11.369 21.001 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.381 -12.756 20.515 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.791 -14.735 20.735 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.290 -13.590 21.964 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.147 -15.109 19.680 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.610 -15.864 20.114 1.00 0.00 H new ATOM 520 N ARG A 31 -5.272 -12.096 17.987 1.00 0.00 N ATOM 521 CA ARG A 31 -5.527 -12.111 16.538 1.00 0.00 C ATOM 522 C ARG A 31 -5.349 -10.721 15.888 1.00 0.00 C ATOM 523 O ARG A 31 -6.042 -10.377 14.928 1.00 0.00 O ATOM 524 CB ARG A 31 -6.920 -12.726 16.295 1.00 0.00 C ATOM 525 CG ARG A 31 -8.089 -11.914 16.888 1.00 0.00 C ATOM 526 CD ARG A 31 -9.427 -12.617 16.639 1.00 0.00 C ATOM 527 NE ARG A 31 -10.551 -11.869 17.235 1.00 0.00 N ATOM 528 CZ ARG A 31 -11.205 -10.845 16.698 1.00 0.00 C ATOM 529 NH1 ARG A 31 -10.879 -10.337 15.528 1.00 0.00 N ATOM 530 NH2 ARG A 31 -12.210 -10.301 17.350 1.00 0.00 N ATOM 0 H ARG A 31 -5.841 -11.392 18.457 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.780 -12.732 16.044 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.075 -12.831 15.221 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.939 -13.730 16.719 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.938 -11.781 17.959 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.108 -10.919 16.443 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.588 -12.725 15.566 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.394 -13.622 17.059 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.859 -12.171 18.159 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.100 -10.730 15.001 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.406 -9.550 15.149 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.483 -10.666 18.263 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.716 -9.514 16.943 1.00 0.00 H new ATOM 544 N GLN A 32 -4.468 -9.894 16.455 1.00 0.00 N ATOM 545 CA GLN A 32 -4.333 -8.475 16.123 1.00 0.00 C ATOM 546 C GLN A 32 -3.820 -8.251 14.688 1.00 0.00 C ATOM 547 O GLN A 32 -3.004 -9.011 14.161 1.00 0.00 O ATOM 548 CB GLN A 32 -3.444 -7.794 17.179 1.00 0.00 C ATOM 549 CG GLN A 32 -3.472 -6.256 17.090 1.00 0.00 C ATOM 550 CD GLN A 32 -2.699 -5.580 18.226 1.00 0.00 C ATOM 551 OE1 GLN A 32 -2.793 -5.944 19.393 1.00 0.00 O ATOM 552 NE2 GLN A 32 -1.909 -4.566 17.938 1.00 0.00 N ATOM 0 H GLN A 32 -3.813 -10.200 17.175 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.321 -8.014 16.146 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.770 -8.101 18.173 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.417 -8.141 17.060 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.050 -5.945 16.134 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.507 -5.915 17.108 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.818 -4.249 16.973 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.389 -4.098 18.680 1.00 0.00 H new ATOM 561 N LYS A 33 -4.309 -7.174 14.075 1.00 0.00 N ATOM 562 CA LYS A 33 -4.066 -6.745 12.697 1.00 0.00 C ATOM 563 C LYS A 33 -3.906 -5.215 12.619 1.00 0.00 C ATOM 564 O LYS A 33 -4.282 -4.481 13.543 1.00 0.00 O ATOM 565 CB LYS A 33 -5.245 -7.212 11.818 1.00 0.00 C ATOM 566 CG LYS A 33 -5.169 -8.700 11.437 1.00 0.00 C ATOM 567 CD LYS A 33 -6.257 -9.108 10.430 1.00 0.00 C ATOM 568 CE LYS A 33 -6.067 -8.411 9.072 1.00 0.00 C ATOM 569 NZ LYS A 33 -7.086 -8.832 8.076 1.00 0.00 N ATOM 0 H LYS A 33 -4.931 -6.531 14.564 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.139 -7.191 12.337 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.179 -7.027 12.348 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.271 -6.612 10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.188 -8.913 11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.266 -9.307 12.337 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.236 -10.189 10.290 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.238 -8.858 10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.121 -7.331 9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.072 -8.634 8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.096 -8.159 7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.853 -9.781 7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.024 -8.851 8.525 1.00 0.00 H new ATOM 583 N PHE A 34 -3.393 -4.729 11.489 1.00 0.00 N ATOM 584 CA PHE A 34 -3.181 -3.312 11.200 1.00 0.00 C ATOM 585 C PHE A 34 -3.764 -2.947 9.834 1.00 0.00 C ATOM 586 O PHE A 34 -3.543 -3.644 8.843 1.00 0.00 O ATOM 587 CB PHE A 34 -1.680 -2.989 11.267 1.00 0.00 C ATOM 588 CG PHE A 34 -1.071 -3.190 12.641 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.146 -2.168 13.607 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.449 -4.411 12.964 1.00 0.00 C ATOM 591 CE1 PHE A 34 -0.586 -2.364 14.883 1.00 0.00 C ATOM 592 CE2 PHE A 34 0.115 -4.603 14.236 1.00 0.00 C ATOM 593 CZ PHE A 34 0.052 -3.577 15.195 1.00 0.00 C ATOM 0 H PHE A 34 -3.103 -5.335 10.721 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.699 -2.713 11.949 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.151 -3.616 10.550 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.526 -1.955 10.960 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.633 -1.234 13.369 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.405 -5.203 12.231 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.647 -1.581 15.624 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.597 -5.539 14.477 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.493 -3.721 16.170 1.00 0.00 H new ATOM 603 N MET A 35 -4.492 -1.834 9.795 1.00 0.00 N ATOM 604 CA MET A 35 -4.972 -1.158 8.587 1.00 0.00 C ATOM 605 C MET A 35 -4.061 0.034 8.281 1.00 0.00 C ATOM 606 O MET A 35 -3.457 0.611 9.188 1.00 0.00 O ATOM 607 CB MET A 35 -6.416 -0.664 8.773 1.00 0.00 C ATOM 608 CG MET A 35 -7.362 -1.750 9.298 1.00 0.00 C ATOM 609 SD MET A 35 -9.128 -1.404 9.081 1.00 0.00 S ATOM 610 CE MET A 35 -9.278 0.131 10.030 1.00 0.00 C ATOM 0 H MET A 35 -4.779 -1.353 10.647 1.00 0.00 H new ATOM 0 HA MET A 35 -4.954 -1.867 7.759 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.419 0.178 9.466 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.792 -0.293 7.820 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.127 -2.688 8.795 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.165 -1.899 10.360 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.322 0.442 10.057 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.922 -0.034 11.047 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.680 0.910 9.558 1.00 0.00 H new ATOM 620 N CYS A 36 -3.991 0.433 7.015 1.00 0.00 N ATOM 621 CA CYS A 36 -3.176 1.548 6.547 1.00 0.00 C ATOM 622 C CYS A 36 -3.838 2.258 5.361 1.00 0.00 C ATOM 623 O CYS A 36 -4.526 1.628 4.553 1.00 0.00 O ATOM 624 CB CYS A 36 -1.776 1.005 6.218 1.00 0.00 C ATOM 625 SG CYS A 36 -0.655 2.353 5.747 1.00 0.00 S ATOM 0 H CYS A 36 -4.513 -0.022 6.267 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.083 2.309 7.322 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.374 0.477 7.082 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.843 0.282 5.405 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.997 3.440 6.373 1.00 0.00 H new ATOM 631 N GLU A 37 -3.611 3.563 5.244 1.00 0.00 N ATOM 632 CA GLU A 37 -3.981 4.376 4.097 1.00 0.00 C ATOM 633 C GLU A 37 -2.815 5.269 3.654 1.00 0.00 C ATOM 634 O GLU A 37 -1.920 5.566 4.449 1.00 0.00 O ATOM 635 CB GLU A 37 -5.243 5.194 4.404 1.00 0.00 C ATOM 636 CG GLU A 37 -5.080 6.250 5.504 1.00 0.00 C ATOM 637 CD GLU A 37 -6.333 7.129 5.596 1.00 0.00 C ATOM 638 OE1 GLU A 37 -6.453 8.085 4.794 1.00 0.00 O ATOM 639 OE2 GLU A 37 -7.201 6.875 6.463 1.00 0.00 O ATOM 0 H GLU A 37 -3.146 4.101 5.975 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.210 3.713 3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.567 5.691 3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.040 4.509 4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.901 5.761 6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.208 6.870 5.294 1.00 0.00 H new ATOM 646 N VAL A 38 -2.844 5.716 2.396 1.00 0.00 N ATOM 647 CA VAL A 38 -1.845 6.620 1.802 1.00 0.00 C ATOM 648 C VAL A 38 -2.492 7.625 0.846 1.00 0.00 C ATOM 649 O VAL A 38 -3.448 7.300 0.137 1.00 0.00 O ATOM 650 CB VAL A 38 -0.701 5.837 1.116 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.151 5.122 -0.164 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.497 6.743 0.779 1.00 0.00 C ATOM 0 H VAL A 38 -3.581 5.454 1.741 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.401 7.189 2.618 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.397 5.086 1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.305 4.590 -0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.942 4.412 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.526 5.856 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.277 6.152 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.175 7.536 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.889 7.184 1.696 1.00 0.00 H new ATOM 662 N ARG A 39 -1.953 8.848 0.842 1.00 0.00 N ATOM 663 CA ARG A 39 -2.406 9.997 0.051 1.00 0.00 C ATOM 664 C ARG A 39 -1.199 10.774 -0.503 1.00 0.00 C ATOM 665 O ARG A 39 -0.095 10.686 0.039 1.00 0.00 O ATOM 666 CB ARG A 39 -3.293 10.911 0.923 1.00 0.00 C ATOM 667 CG ARG A 39 -4.506 10.179 1.523 1.00 0.00 C ATOM 668 CD ARG A 39 -5.422 11.120 2.309 1.00 0.00 C ATOM 669 NE ARG A 39 -6.454 10.352 3.028 1.00 0.00 N ATOM 670 CZ ARG A 39 -7.765 10.542 3.046 1.00 0.00 C ATOM 671 NH1 ARG A 39 -8.366 11.505 2.379 1.00 0.00 N ATOM 672 NH2 ARG A 39 -8.485 9.718 3.770 1.00 0.00 N ATOM 0 H ARG A 39 -1.145 9.076 1.422 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.995 9.641 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.692 11.328 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.643 11.749 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.075 9.707 0.722 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.158 9.382 2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.833 11.702 3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.895 11.829 1.629 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.113 9.569 3.587 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.818 12.152 1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.380 11.604 2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.032 8.967 4.291 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.498 9.828 3.812 1.00 0.00 H new ATOM 686 N VAL A 40 -1.407 11.545 -1.571 1.00 0.00 N ATOM 687 CA VAL A 40 -0.386 12.371 -2.248 1.00 0.00 C ATOM 688 C VAL A 40 -1.023 13.708 -2.646 1.00 0.00 C ATOM 689 O VAL A 40 -2.147 13.731 -3.149 1.00 0.00 O ATOM 690 CB VAL A 40 0.202 11.661 -3.497 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.317 12.496 -4.150 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.790 10.275 -3.170 1.00 0.00 C ATOM 0 H VAL A 40 -2.324 11.620 -2.011 1.00 0.00 H new ATOM 0 HA VAL A 40 0.442 12.536 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.638 11.545 -4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.705 11.968 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.915 13.461 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.122 12.652 -3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.187 9.824 -4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.591 10.383 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.008 9.636 -2.760 1.00 0.00 H new ATOM 702 N GLU A 41 -0.319 14.816 -2.395 1.00 0.00 N ATOM 703 CA GLU A 41 -0.796 16.175 -2.680 1.00 0.00 C ATOM 704 C GLU A 41 -1.100 16.369 -4.178 1.00 0.00 C ATOM 705 O GLU A 41 -0.282 16.038 -5.040 1.00 0.00 O ATOM 706 CB GLU A 41 0.241 17.195 -2.175 1.00 0.00 C ATOM 707 CG GLU A 41 -0.266 18.641 -2.266 1.00 0.00 C ATOM 708 CD GLU A 41 0.743 19.621 -1.648 1.00 0.00 C ATOM 709 OE1 GLU A 41 0.652 19.901 -0.429 1.00 0.00 O ATOM 710 OE2 GLU A 41 1.630 20.126 -2.378 1.00 0.00 O ATOM 0 H GLU A 41 0.613 14.795 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.736 16.336 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.496 16.967 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.157 17.097 -2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.440 18.904 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.223 18.727 -1.752 1.00 0.00 H new ATOM 717 N GLY A 42 -2.289 16.901 -4.487 1.00 0.00 N ATOM 718 CA GLY A 42 -2.781 17.104 -5.859 1.00 0.00 C ATOM 719 C GLY A 42 -3.640 15.956 -6.405 1.00 0.00 C ATOM 720 O GLY A 42 -4.101 16.045 -7.545 1.00 0.00 O ATOM 0 H GLY A 42 -2.952 17.210 -3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.365 18.024 -5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.926 17.247 -6.520 1.00 0.00 H new ATOM 724 N PHE A 43 -3.890 14.909 -5.608 1.00 0.00 N ATOM 725 CA PHE A 43 -4.736 13.760 -5.955 1.00 0.00 C ATOM 726 C PHE A 43 -5.834 13.566 -4.898 1.00 0.00 C ATOM 727 O PHE A 43 -5.556 13.510 -3.699 1.00 0.00 O ATOM 728 CB PHE A 43 -3.864 12.500 -6.097 1.00 0.00 C ATOM 729 CG PHE A 43 -2.806 12.598 -7.182 1.00 0.00 C ATOM 730 CD1 PHE A 43 -3.108 12.234 -8.509 1.00 0.00 C ATOM 731 CD2 PHE A 43 -1.525 13.091 -6.871 1.00 0.00 C ATOM 732 CE1 PHE A 43 -2.135 12.360 -9.516 1.00 0.00 C ATOM 733 CE2 PHE A 43 -0.556 13.227 -7.880 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.859 12.858 -9.203 1.00 0.00 C ATOM 0 H PHE A 43 -3.495 14.836 -4.671 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.227 13.947 -6.910 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.374 12.301 -5.144 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.509 11.647 -6.309 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.090 11.857 -8.754 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.286 13.366 -5.854 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.369 12.074 -10.531 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.423 13.615 -7.639 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.112 12.957 -9.977 1.00 0.00 H new ATOM 744 N ASN A 44 -7.089 13.461 -5.348 1.00 0.00 N ATOM 745 CA ASN A 44 -8.264 13.333 -4.474 1.00 0.00 C ATOM 746 C ASN A 44 -8.443 11.912 -3.888 1.00 0.00 C ATOM 747 O ASN A 44 -9.101 11.739 -2.860 1.00 0.00 O ATOM 748 CB ASN A 44 -9.499 13.776 -5.279 1.00 0.00 C ATOM 749 CG ASN A 44 -10.776 13.802 -4.443 1.00 0.00 C ATOM 750 OD1 ASN A 44 -11.618 12.915 -4.530 1.00 0.00 O ATOM 751 ND2 ASN A 44 -10.961 14.816 -3.615 1.00 0.00 N ATOM 0 H ASN A 44 -7.322 13.462 -6.341 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.124 13.973 -3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.320 14.769 -5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.637 13.101 -6.123 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.806 14.862 -3.046 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.258 15.552 -3.545 1.00 0.00 H new ATOM 758 N TYR A 45 -7.844 10.895 -4.518 1.00 0.00 N ATOM 759 CA TYR A 45 -7.913 9.494 -4.089 1.00 0.00 C ATOM 760 C TYR A 45 -7.109 9.207 -2.804 1.00 0.00 C ATOM 761 O TYR A 45 -6.144 9.906 -2.481 1.00 0.00 O ATOM 762 CB TYR A 45 -7.444 8.608 -5.251 1.00 0.00 C ATOM 763 CG TYR A 45 -7.749 7.133 -5.077 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.070 6.675 -5.240 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.728 6.220 -4.743 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.375 5.311 -5.079 1.00 0.00 C ATOM 767 CE2 TYR A 45 -7.027 4.855 -4.573 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.351 4.395 -4.748 1.00 0.00 C ATOM 769 OH TYR A 45 -8.637 3.069 -4.615 1.00 0.00 O ATOM 0 H TYR A 45 -7.284 11.027 -5.361 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.948 9.267 -3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.913 8.958 -6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.368 8.732 -5.375 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.854 7.375 -5.490 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.714 6.569 -4.617 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.390 4.965 -5.208 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.244 4.160 -4.309 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.819 2.579 -4.386 1.00 0.00 H new ATOM 779 N ALA A 46 -7.485 8.141 -2.093 1.00 0.00 N ATOM 780 CA ALA A 46 -6.746 7.584 -0.960 1.00 0.00 C ATOM 781 C ALA A 46 -6.677 6.054 -1.100 1.00 0.00 C ATOM 782 O ALA A 46 -7.710 5.379 -1.092 1.00 0.00 O ATOM 783 CB ALA A 46 -7.430 8.027 0.342 1.00 0.00 C ATOM 0 H ALA A 46 -8.341 7.626 -2.298 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.720 7.953 -0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.888 7.618 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.431 9.115 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.457 7.662 0.356 1.00 0.00 H new ATOM 789 N GLY A 47 -5.461 5.517 -1.240 1.00 0.00 N ATOM 790 CA GLY A 47 -5.209 4.076 -1.338 1.00 0.00 C ATOM 791 C GLY A 47 -5.187 3.457 0.051 1.00 0.00 C ATOM 792 O GLY A 47 -4.685 4.081 0.987 1.00 0.00 O ATOM 0 H GLY A 47 -4.612 6.080 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.982 3.603 -1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.258 3.898 -1.840 1.00 0.00 H new ATOM 796 N MET A 48 -5.733 2.248 0.192 1.00 0.00 N ATOM 797 CA MET A 48 -5.997 1.597 1.483 1.00 0.00 C ATOM 798 C MET A 48 -5.683 0.096 1.451 1.00 0.00 C ATOM 799 O MET A 48 -5.931 -0.586 0.455 1.00 0.00 O ATOM 800 CB MET A 48 -7.464 1.818 1.888 1.00 0.00 C ATOM 801 CG MET A 48 -7.798 3.298 2.119 1.00 0.00 C ATOM 802 SD MET A 48 -9.483 3.626 2.696 1.00 0.00 S ATOM 803 CE MET A 48 -10.387 3.331 1.154 1.00 0.00 C ATOM 0 H MET A 48 -6.012 1.678 -0.606 1.00 0.00 H new ATOM 0 HA MET A 48 -5.336 2.052 2.221 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.115 1.420 1.110 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.674 1.256 2.798 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.096 3.703 2.848 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.638 3.840 1.187 1.00 0.00 H new ATOM 0 HE1 MET A 48 -11.446 3.540 1.307 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.998 3.984 0.373 1.00 0.00 H new ATOM 0 HE3 MET A 48 -10.262 2.291 0.852 1.00 0.00 H new ATOM 813 N GLY A 49 -5.140 -0.415 2.559 1.00 0.00 N ATOM 814 CA GLY A 49 -4.789 -1.824 2.757 1.00 0.00 C ATOM 815 C GLY A 49 -4.834 -2.254 4.223 1.00 0.00 C ATOM 816 O GLY A 49 -5.014 -1.435 5.122 1.00 0.00 O ATOM 0 H GLY A 49 -4.925 0.162 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.473 -2.447 2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.788 -2.002 2.363 1.00 0.00 H new ATOM 820 N ASN A 50 -4.649 -3.550 4.465 1.00 0.00 N ATOM 821 CA ASN A 50 -4.527 -4.131 5.808 1.00 0.00 C ATOM 822 C ASN A 50 -3.692 -5.423 5.802 1.00 0.00 C ATOM 823 O ASN A 50 -3.506 -6.037 4.751 1.00 0.00 O ATOM 824 CB ASN A 50 -5.919 -4.342 6.436 1.00 0.00 C ATOM 825 CG ASN A 50 -6.693 -5.498 5.808 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.577 -6.643 6.227 1.00 0.00 O ATOM 827 ND2 ASN A 50 -7.505 -5.237 4.799 1.00 0.00 N ATOM 0 H ASN A 50 -4.578 -4.243 3.720 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.985 -3.421 6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.804 -4.528 7.504 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.500 -3.426 6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.039 -5.991 4.366 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.598 -4.282 4.453 1.00 0.00 H new ATOM 834 N SER A 51 -3.196 -5.838 6.967 1.00 0.00 N ATOM 835 CA SER A 51 -2.434 -7.082 7.170 1.00 0.00 C ATOM 836 C SER A 51 -2.280 -7.417 8.668 1.00 0.00 C ATOM 837 O SER A 51 -2.859 -6.742 9.524 1.00 0.00 O ATOM 838 CB SER A 51 -1.063 -6.981 6.478 1.00 0.00 C ATOM 839 OG SER A 51 -0.517 -8.275 6.296 1.00 0.00 O ATOM 0 H SER A 51 -3.314 -5.304 7.828 1.00 0.00 H new ATOM 0 HA SER A 51 -2.993 -7.901 6.717 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.168 -6.483 5.514 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.387 -6.373 7.079 1.00 0.00 H new ATOM 0 HG SER A 51 0.050 -8.281 5.497 1.00 0.00 H new ATOM 845 N THR A 52 -1.485 -8.441 9.003 1.00 0.00 N ATOM 846 CA THR A 52 -1.102 -8.816 10.379 1.00 0.00 C ATOM 847 C THR A 52 -0.028 -7.907 10.979 1.00 0.00 C ATOM 848 O THR A 52 0.259 -7.996 12.170 1.00 0.00 O ATOM 849 CB THR A 52 -0.605 -10.266 10.414 1.00 0.00 C ATOM 850 OG1 THR A 52 0.477 -10.399 9.511 1.00 0.00 O ATOM 851 CG2 THR A 52 -1.706 -11.255 10.024 1.00 0.00 C ATOM 0 H THR A 52 -1.074 -9.056 8.301 1.00 0.00 H new ATOM 0 HA THR A 52 -2.001 -8.702 10.985 1.00 0.00 H new ATOM 0 HB THR A 52 -0.294 -10.495 11.433 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.306 -10.544 10.013 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.313 -12.271 10.061 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.541 -11.163 10.719 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.050 -11.036 9.013 1.00 0.00 H new ATOM 859 N ASN A 53 0.568 -7.037 10.160 1.00 0.00 N ATOM 860 CA ASN A 53 1.752 -6.241 10.478 1.00 0.00 C ATOM 861 C ASN A 53 1.776 -4.914 9.695 1.00 0.00 C ATOM 862 O ASN A 53 1.252 -4.819 8.582 1.00 0.00 O ATOM 863 CB ASN A 53 3.005 -7.092 10.206 1.00 0.00 C ATOM 864 CG ASN A 53 3.168 -7.421 8.724 1.00 0.00 C ATOM 865 OD1 ASN A 53 3.807 -6.682 7.986 1.00 0.00 O ATOM 866 ND2 ASN A 53 2.586 -8.504 8.244 1.00 0.00 N ATOM 0 H ASN A 53 0.222 -6.862 9.217 1.00 0.00 H new ATOM 0 HA ASN A 53 1.729 -5.965 11.532 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.888 -6.558 10.557 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.944 -8.018 10.778 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.667 -8.730 7.253 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.055 -9.115 8.864 1.00 0.00 H new ATOM 873 N LYS A 54 2.406 -3.884 10.268 1.00 0.00 N ATOM 874 CA LYS A 54 2.431 -2.524 9.702 1.00 0.00 C ATOM 875 C LYS A 54 3.179 -2.418 8.360 1.00 0.00 C ATOM 876 O LYS A 54 2.830 -1.578 7.529 1.00 0.00 O ATOM 877 CB LYS A 54 3.039 -1.561 10.738 1.00 0.00 C ATOM 878 CG LYS A 54 2.161 -1.399 11.990 1.00 0.00 C ATOM 879 CD LYS A 54 2.765 -0.355 12.937 1.00 0.00 C ATOM 880 CE LYS A 54 1.901 -0.216 14.197 1.00 0.00 C ATOM 881 NZ LYS A 54 2.467 0.777 15.148 1.00 0.00 N ATOM 0 H LYS A 54 2.919 -3.967 11.146 1.00 0.00 H new ATOM 0 HA LYS A 54 1.399 -2.251 9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.022 -1.927 11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.188 -0.585 10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.155 -1.096 11.699 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.070 -2.356 12.504 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.778 -0.647 13.213 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.838 0.607 12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.892 0.085 13.915 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.818 -1.185 14.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.855 0.843 15.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.420 0.477 15.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.523 1.707 14.686 1.00 0.00 H new ATOM 895 N LYS A 55 4.192 -3.257 8.118 1.00 0.00 N ATOM 896 CA LYS A 55 4.986 -3.271 6.891 1.00 0.00 C ATOM 897 C LYS A 55 4.149 -3.673 5.667 1.00 0.00 C ATOM 898 O LYS A 55 4.047 -2.918 4.701 1.00 0.00 O ATOM 899 CB LYS A 55 6.156 -4.241 7.145 1.00 0.00 C ATOM 900 CG LYS A 55 7.255 -4.176 6.082 1.00 0.00 C ATOM 901 CD LYS A 55 8.059 -2.871 6.127 1.00 0.00 C ATOM 902 CE LYS A 55 8.899 -2.656 7.398 1.00 0.00 C ATOM 903 NZ LYS A 55 9.945 -3.699 7.569 1.00 0.00 N ATOM 0 H LYS A 55 4.488 -3.964 8.791 1.00 0.00 H new ATOM 0 HA LYS A 55 5.358 -2.274 6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.593 -4.021 8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.768 -5.259 7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.933 -5.018 6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.805 -4.285 5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.724 -2.844 5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.368 -2.035 6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.372 -1.675 7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.243 -2.657 8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.780 -3.281 8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.574 -4.469 8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.213 -4.077 6.638 1.00 0.00 H new ATOM 917 N ASP A 56 3.487 -4.826 5.741 1.00 0.00 N ATOM 918 CA ASP A 56 2.644 -5.349 4.666 1.00 0.00 C ATOM 919 C ASP A 56 1.327 -4.570 4.531 1.00 0.00 C ATOM 920 O ASP A 56 0.810 -4.433 3.425 1.00 0.00 O ATOM 921 CB ASP A 56 2.405 -6.839 4.918 1.00 0.00 C ATOM 922 CG ASP A 56 1.758 -7.539 3.712 1.00 0.00 C ATOM 923 OD1 ASP A 56 2.417 -7.634 2.651 1.00 0.00 O ATOM 924 OD2 ASP A 56 0.611 -8.027 3.852 1.00 0.00 O ATOM 0 H ASP A 56 3.521 -5.432 6.561 1.00 0.00 H new ATOM 0 HA ASP A 56 3.157 -5.221 3.713 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.354 -7.323 5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.764 -6.959 5.792 1.00 0.00 H new ATOM 929 N ALA A 57 0.831 -3.970 5.622 1.00 0.00 N ATOM 930 CA ALA A 57 -0.303 -3.042 5.564 1.00 0.00 C ATOM 931 C ALA A 57 0.029 -1.785 4.734 1.00 0.00 C ATOM 932 O ALA A 57 -0.764 -1.395 3.875 1.00 0.00 O ATOM 933 CB ALA A 57 -0.754 -2.697 6.991 1.00 0.00 C ATOM 0 H ALA A 57 1.202 -4.114 6.561 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.133 -3.528 5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.597 -2.007 6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.056 -3.608 7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.070 -2.230 7.530 1.00 0.00 H new ATOM 939 N GLN A 58 1.215 -1.195 4.933 1.00 0.00 N ATOM 940 CA GLN A 58 1.714 -0.084 4.112 1.00 0.00 C ATOM 941 C GLN A 58 1.960 -0.507 2.662 1.00 0.00 C ATOM 942 O GLN A 58 1.595 0.235 1.755 1.00 0.00 O ATOM 943 CB GLN A 58 3.012 0.484 4.701 1.00 0.00 C ATOM 944 CG GLN A 58 2.773 1.385 5.919 1.00 0.00 C ATOM 945 CD GLN A 58 4.085 1.709 6.630 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.736 2.717 6.388 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.530 0.848 7.521 1.00 0.00 N ATOM 0 H GLN A 58 1.859 -1.477 5.672 1.00 0.00 H new ATOM 0 HA GLN A 58 0.941 0.684 4.117 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.665 -0.340 4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.535 1.053 3.932 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.290 2.309 5.602 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.092 0.891 6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.994 0.006 7.728 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.411 1.023 8.004 1.00 0.00 H new ATOM 956 N SER A 59 2.520 -1.695 2.416 1.00 0.00 N ATOM 957 CA SER A 59 2.665 -2.226 1.051 1.00 0.00 C ATOM 958 C SER A 59 1.314 -2.368 0.333 1.00 0.00 C ATOM 959 O SER A 59 1.194 -2.024 -0.843 1.00 0.00 O ATOM 960 CB SER A 59 3.363 -3.594 1.062 1.00 0.00 C ATOM 961 OG SER A 59 4.721 -3.484 1.461 1.00 0.00 O ATOM 0 H SER A 59 2.882 -2.311 3.144 1.00 0.00 H new ATOM 0 HA SER A 59 3.273 -1.503 0.508 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.837 -4.266 1.740 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.310 -4.038 0.068 1.00 0.00 H new ATOM 0 HG SER A 59 5.135 -4.372 1.459 1.00 0.00 H new ATOM 967 N ASN A 60 0.274 -2.818 1.040 1.00 0.00 N ATOM 968 CA ASN A 60 -1.063 -2.989 0.468 1.00 0.00 C ATOM 969 C ASN A 60 -1.750 -1.631 0.218 1.00 0.00 C ATOM 970 O ASN A 60 -2.372 -1.446 -0.829 1.00 0.00 O ATOM 971 CB ASN A 60 -1.895 -3.934 1.357 1.00 0.00 C ATOM 972 CG ASN A 60 -1.367 -5.375 1.365 1.00 0.00 C ATOM 973 OD1 ASN A 60 -0.684 -5.825 0.450 1.00 0.00 O ATOM 974 ND2 ASN A 60 -1.677 -6.154 2.387 1.00 0.00 N ATOM 0 H ASN A 60 0.336 -3.074 2.025 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.975 -3.457 -0.513 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.902 -3.551 2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.928 -3.934 1.009 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.349 -7.120 2.410 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.244 -5.790 3.152 1.00 0.00 H new ATOM 981 N ALA A 61 -1.568 -0.649 1.114 1.00 0.00 N ATOM 982 CA ALA A 61 -2.032 0.728 0.916 1.00 0.00 C ATOM 983 C ALA A 61 -1.331 1.415 -0.268 1.00 0.00 C ATOM 984 O ALA A 61 -1.995 2.029 -1.105 1.00 0.00 O ATOM 985 CB ALA A 61 -1.819 1.500 2.224 1.00 0.00 C ATOM 0 H ALA A 61 -1.090 -0.792 2.004 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.092 0.715 0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.158 2.528 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.388 1.025 3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.760 1.496 2.481 1.00 0.00 H new ATOM 991 N ALA A 62 -0.007 1.260 -0.379 1.00 0.00 N ATOM 992 CA ALA A 62 0.792 1.770 -1.492 1.00 0.00 C ATOM 993 C ALA A 62 0.363 1.149 -2.825 1.00 0.00 C ATOM 994 O ALA A 62 0.083 1.883 -3.776 1.00 0.00 O ATOM 995 CB ALA A 62 2.272 1.515 -1.190 1.00 0.00 C ATOM 0 H ALA A 62 0.548 0.765 0.319 1.00 0.00 H new ATOM 0 HA ALA A 62 0.629 2.843 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.881 1.890 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.549 2.028 -0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.440 0.444 -1.073 1.00 0.00 H new ATOM 1001 N ARG A 63 0.234 -0.185 -2.888 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.213 -0.874 -4.098 1.00 0.00 C ATOM 1003 C ARG A 63 -1.598 -0.397 -4.543 1.00 0.00 C ATOM 1004 O ARG A 63 -1.798 -0.174 -5.731 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.189 -2.402 -3.896 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.488 -3.189 -5.186 1.00 0.00 C ATOM 1007 CD ARG A 63 0.532 -2.990 -6.324 1.00 0.00 C ATOM 1008 NE ARG A 63 -0.077 -3.311 -7.626 1.00 0.00 N ATOM 1009 CZ ARG A 63 0.323 -4.191 -8.534 1.00 0.00 C ATOM 1010 NH1 ARG A 63 1.429 -4.896 -8.416 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -0.414 -4.359 -9.609 1.00 0.00 N ATOM 0 H ARG A 63 0.436 -0.808 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 63 0.485 -0.624 -4.897 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.790 -2.697 -3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.921 -2.673 -3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.535 -4.250 -4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.475 -2.901 -5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.886 -1.959 -6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.401 -3.626 -6.156 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.919 -2.786 -7.861 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.024 -4.778 -7.596 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.691 -5.560 -9.145 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.271 -3.819 -9.729 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.129 -5.029 -10.323 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.525 -0.160 -3.614 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.871 0.333 -3.924 1.00 0.00 C ATOM 1027 C ASP A 64 -3.881 1.781 -4.463 1.00 0.00 C ATOM 1028 O ASP A 64 -4.699 2.105 -5.324 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.746 0.172 -2.674 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.239 0.384 -2.959 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.794 -0.337 -3.823 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.850 1.241 -2.280 1.00 0.00 O ATOM 0 H ASP A 64 -2.363 -0.305 -2.617 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.281 -0.264 -4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.598 -0.825 -2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.421 0.884 -1.915 1.00 0.00 H new ATOM 1037 N PHE A 65 -2.929 2.629 -4.042 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.739 3.966 -4.622 1.00 0.00 C ATOM 1039 C PHE A 65 -2.005 3.919 -5.971 1.00 0.00 C ATOM 1040 O PHE A 65 -2.394 4.624 -6.899 1.00 0.00 O ATOM 1041 CB PHE A 65 -2.014 4.881 -3.628 1.00 0.00 C ATOM 1042 CG PHE A 65 -2.055 6.348 -4.023 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -3.135 7.156 -3.621 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -1.038 6.901 -4.823 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -3.207 8.501 -4.026 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -1.105 8.250 -5.217 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.193 9.047 -4.829 1.00 0.00 C ATOM 0 H PHE A 65 -2.273 2.408 -3.293 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.728 4.380 -4.821 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.464 4.764 -2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.975 4.563 -3.543 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.913 6.741 -2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.205 6.289 -5.135 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.042 9.114 -3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.316 8.674 -5.820 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.250 10.077 -5.147 1.00 0.00 H new ATOM 1057 N VAL A 66 -0.992 3.062 -6.125 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.303 2.859 -7.418 1.00 0.00 C ATOM 1059 C VAL A 66 -1.268 2.293 -8.466 1.00 0.00 C ATOM 1060 O VAL A 66 -1.268 2.739 -9.611 1.00 0.00 O ATOM 1061 CB VAL A 66 0.943 1.957 -7.276 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.587 1.636 -8.633 1.00 0.00 C ATOM 1063 CG2 VAL A 66 2.000 2.649 -6.407 1.00 0.00 C ATOM 0 H VAL A 66 -0.622 2.489 -5.366 1.00 0.00 H new ATOM 0 HA VAL A 66 0.043 3.836 -7.756 1.00 0.00 H new ATOM 0 HB VAL A 66 0.604 1.029 -6.817 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.459 1.000 -8.481 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.865 1.118 -9.265 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.895 2.562 -9.118 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.874 2.004 -6.314 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.292 3.591 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.586 2.845 -5.418 1.00 0.00 H new ATOM 1073 N ASN A 67 -2.156 1.384 -8.060 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.256 0.894 -8.900 1.00 0.00 C ATOM 1075 C ASN A 67 -4.151 2.049 -9.393 1.00 0.00 C ATOM 1076 O ASN A 67 -4.428 2.130 -10.587 1.00 0.00 O ATOM 1077 CB ASN A 67 -4.091 -0.164 -8.153 1.00 0.00 C ATOM 1078 CG ASN A 67 -3.403 -1.518 -7.969 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -2.402 -1.853 -8.594 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -3.950 -2.360 -7.110 1.00 0.00 N ATOM 0 H ASN A 67 -2.134 0.962 -7.132 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.812 0.423 -9.777 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.354 0.229 -7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.024 -0.318 -8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.540 -3.283 -6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.782 -2.087 -6.588 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.518 3.013 -8.537 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.197 4.244 -8.970 1.00 0.00 C ATOM 1089 C TYR A 68 -4.354 5.070 -9.962 1.00 0.00 C ATOM 1090 O TYR A 68 -4.872 5.463 -11.008 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.631 5.067 -7.748 1.00 0.00 C ATOM 1092 CG TYR A 68 -6.004 6.505 -8.063 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -7.252 6.801 -8.643 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -5.086 7.544 -7.807 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.586 8.130 -8.966 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -5.411 8.874 -8.133 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.667 9.172 -8.710 1.00 0.00 C ATOM 1098 OH TYR A 68 -7.005 10.458 -9.008 1.00 0.00 O ATOM 0 H TYR A 68 -4.354 2.963 -7.531 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.092 3.955 -9.521 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.484 4.577 -7.279 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.822 5.066 -7.018 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.956 6.006 -8.841 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.130 7.318 -7.359 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.545 8.353 -9.410 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.702 9.666 -7.943 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.264 11.054 -8.771 1.00 0.00 H new ATOM 1108 N LEU A 69 -3.050 5.255 -9.712 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.146 5.970 -10.628 1.00 0.00 C ATOM 1110 C LEU A 69 -2.027 5.299 -12.008 1.00 0.00 C ATOM 1111 O LEU A 69 -1.941 6.000 -13.014 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.758 6.142 -9.995 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.674 7.027 -8.736 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.762 6.943 -8.198 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -1.061 8.484 -9.037 1.00 0.00 C ATOM 0 H LEU A 69 -2.590 4.913 -8.868 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.591 6.951 -10.795 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.375 5.153 -9.742 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.090 6.559 -10.749 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.383 6.668 -7.990 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.853 7.561 -7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.997 5.908 -7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.457 7.300 -8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.989 9.076 -8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.385 8.892 -9.788 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.084 8.519 -9.412 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.085 3.967 -12.079 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.170 3.211 -13.348 1.00 0.00 C ATOM 1129 C VAL A 70 -3.520 3.440 -14.041 1.00 0.00 C ATOM 1130 O VAL A 70 -3.558 3.672 -15.249 1.00 0.00 O ATOM 1131 CB VAL A 70 -1.932 1.697 -13.132 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.201 0.854 -14.389 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.488 1.430 -12.682 1.00 0.00 C ATOM 0 H VAL A 70 -2.075 3.369 -11.253 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.378 3.588 -13.995 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.642 1.400 -12.360 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.015 -0.197 -14.169 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.238 0.982 -14.698 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.540 1.178 -15.193 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.344 0.359 -12.536 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.203 1.788 -13.445 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.296 1.952 -11.745 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.617 3.433 -13.275 1.00 0.00 N ATOM 1144 CA ARG A 71 -5.984 3.652 -13.784 1.00 0.00 C ATOM 1145 C ARG A 71 -6.217 5.075 -14.327 1.00 0.00 C ATOM 1146 O ARG A 71 -7.097 5.265 -15.169 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.014 3.306 -12.692 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.085 1.795 -12.408 1.00 0.00 C ATOM 1149 CD ARG A 71 -7.794 1.520 -11.077 1.00 0.00 C ATOM 1150 NE ARG A 71 -7.757 0.087 -10.738 1.00 0.00 N ATOM 1151 CZ ARG A 71 -7.936 -0.446 -9.534 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -8.194 0.288 -8.471 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -7.852 -1.750 -9.380 1.00 0.00 N ATOM 0 H ARG A 71 -4.584 3.273 -12.268 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.114 2.984 -14.635 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.756 3.834 -11.774 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.998 3.662 -12.999 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.616 1.294 -13.217 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.078 1.379 -12.381 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.319 2.096 -10.283 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.829 1.855 -11.138 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.576 -0.561 -11.504 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.262 1.302 -8.556 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.325 -0.158 -7.563 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.650 -2.346 -10.183 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.988 -2.164 -8.458 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.403 6.058 -13.919 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.362 7.423 -14.499 1.00 0.00 C ATOM 1169 C ILE A 72 -4.157 7.662 -15.434 1.00 0.00 C ATOM 1170 O ILE A 72 -3.933 8.790 -15.869 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.488 8.512 -13.403 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.264 8.567 -12.464 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.792 8.318 -12.604 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -4.149 9.874 -11.675 1.00 0.00 C ATOM 0 H ILE A 72 -4.735 5.931 -13.158 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.239 7.505 -15.142 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.522 9.475 -13.913 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.318 7.734 -11.763 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.358 8.429 -13.054 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.867 9.090 -11.838 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.646 8.391 -13.278 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.786 7.336 -12.131 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.265 9.838 -11.038 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.063 10.711 -12.368 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.037 10.005 -11.057 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.373 6.618 -15.736 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.258 6.603 -16.699 1.00 0.00 C ATOM 1188 C ASN A 73 -1.022 7.435 -16.271 1.00 0.00 C ATOM 1189 O ASN A 73 -0.164 7.750 -17.098 1.00 0.00 O ATOM 1190 CB ASN A 73 -2.753 6.940 -18.122 1.00 0.00 C ATOM 1191 CG ASN A 73 -3.920 6.059 -18.563 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -5.081 6.452 -18.511 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -3.652 4.842 -19.005 1.00 0.00 N ATOM 0 H ASN A 73 -3.505 5.710 -15.291 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.883 5.579 -16.710 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.058 7.986 -18.158 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.929 6.824 -18.826 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.411 4.229 -19.303 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.686 4.516 -19.048 1.00 0.00 H new ATOM 1200 N GLU A 74 -0.895 7.755 -14.977 1.00 0.00 N ATOM 1201 CA GLU A 74 0.251 8.468 -14.383 1.00 0.00 C ATOM 1202 C GLU A 74 1.388 7.524 -13.922 1.00 0.00 C ATOM 1203 O GLU A 74 2.467 7.987 -13.545 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.239 9.360 -13.230 1.00 0.00 C ATOM 1205 CG GLU A 74 -1.127 10.528 -13.685 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.396 11.493 -14.632 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.659 12.042 -14.236 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -0.873 11.719 -15.768 1.00 0.00 O ATOM 0 H GLU A 74 -1.609 7.518 -14.289 1.00 0.00 H new ATOM 0 HA GLU A 74 0.689 9.090 -15.164 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.795 8.748 -12.520 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.625 9.758 -12.698 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.011 10.134 -14.186 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.475 11.077 -12.810 1.00 0.00 H new ATOM 1215 N VAL A 75 1.167 6.206 -13.998 1.00 0.00 N ATOM 1216 CA VAL A 75 2.162 5.129 -13.827 1.00 0.00 C ATOM 1217 C VAL A 75 1.917 4.079 -14.920 1.00 0.00 C ATOM 1218 O VAL A 75 0.767 3.749 -15.208 1.00 0.00 O ATOM 1219 CB VAL A 75 2.057 4.464 -12.429 1.00 0.00 C ATOM 1220 CG1 VAL A 75 3.018 3.274 -12.282 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.419 5.412 -11.280 1.00 0.00 C ATOM 0 H VAL A 75 0.236 5.836 -14.192 1.00 0.00 H new ATOM 0 HA VAL A 75 3.162 5.554 -13.908 1.00 0.00 H new ATOM 0 HB VAL A 75 1.013 4.158 -12.366 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.910 2.840 -11.288 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.783 2.521 -13.034 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.044 3.616 -12.419 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.325 4.885 -10.330 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.445 5.758 -11.403 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.744 6.268 -11.288 1.00 0.00 H new ATOM 1231 N LYS A 76 2.983 3.534 -15.519 1.00 0.00 N ATOM 1232 CA LYS A 76 2.890 2.371 -16.416 1.00 0.00 C ATOM 1233 C LYS A 76 2.912 1.070 -15.597 1.00 0.00 C ATOM 1234 O LYS A 76 3.845 0.829 -14.829 1.00 0.00 O ATOM 1235 CB LYS A 76 4.040 2.373 -17.440 1.00 0.00 C ATOM 1236 CG LYS A 76 4.055 3.633 -18.323 1.00 0.00 C ATOM 1237 CD LYS A 76 5.161 3.547 -19.382 1.00 0.00 C ATOM 1238 CE LYS A 76 5.153 4.812 -20.253 1.00 0.00 C ATOM 1239 NZ LYS A 76 6.206 4.767 -21.301 1.00 0.00 N ATOM 0 H LYS A 76 3.933 3.884 -15.397 1.00 0.00 H new ATOM 0 HA LYS A 76 1.948 2.433 -16.961 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.990 2.295 -16.912 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.955 1.491 -18.075 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.087 3.751 -18.811 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.209 4.515 -17.702 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.131 3.435 -18.898 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.012 2.665 -20.005 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.176 4.923 -20.724 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.305 5.688 -19.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.169 5.638 -21.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.140 4.686 -20.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.047 3.945 -21.918 1.00 0.00 H new ATOM 1253 N SER A 77 1.919 0.200 -15.782 1.00 0.00 N ATOM 1254 CA SER A 77 1.786 -1.063 -15.034 1.00 0.00 C ATOM 1255 C SER A 77 3.032 -1.961 -15.120 1.00 0.00 C ATOM 1256 O SER A 77 3.409 -2.590 -14.129 1.00 0.00 O ATOM 1257 CB SER A 77 0.554 -1.829 -15.536 1.00 0.00 C ATOM 1258 OG SER A 77 0.590 -1.990 -16.950 1.00 0.00 O ATOM 0 H SER A 77 1.173 0.348 -16.462 1.00 0.00 H new ATOM 0 HA SER A 77 1.671 -0.797 -13.983 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.510 -2.807 -15.057 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.352 -1.294 -15.251 1.00 0.00 H new ATOM 0 HG SER A 77 -0.205 -2.482 -17.244 1.00 0.00 H new ATOM 1264 N GLU A 78 3.740 -1.934 -16.257 1.00 0.00 N ATOM 1265 CA GLU A 78 4.943 -2.737 -16.518 1.00 0.00 C ATOM 1266 C GLU A 78 6.103 -2.444 -15.545 1.00 0.00 C ATOM 1267 O GLU A 78 6.993 -3.280 -15.377 1.00 0.00 O ATOM 1268 CB GLU A 78 5.415 -2.517 -17.967 1.00 0.00 C ATOM 1269 CG GLU A 78 4.360 -2.906 -19.010 1.00 0.00 C ATOM 1270 CD GLU A 78 4.931 -2.812 -20.433 1.00 0.00 C ATOM 1271 OE1 GLU A 78 4.879 -1.714 -21.039 1.00 0.00 O ATOM 1272 OE2 GLU A 78 5.428 -3.836 -20.960 1.00 0.00 O ATOM 0 H GLU A 78 3.485 -1.336 -17.043 1.00 0.00 H new ATOM 0 HA GLU A 78 4.659 -3.778 -16.361 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.680 -1.468 -18.101 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.320 -3.099 -18.140 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.013 -3.922 -18.820 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.494 -2.251 -18.918 1.00 0.00 H new ATOM 1279 N GLU A 79 6.080 -1.288 -14.869 1.00 0.00 N ATOM 1280 CA GLU A 79 7.081 -0.882 -13.878 1.00 0.00 C ATOM 1281 C GLU A 79 6.708 -1.273 -12.434 1.00 0.00 C ATOM 1282 O GLU A 79 7.570 -1.261 -11.557 1.00 0.00 O ATOM 1283 CB GLU A 79 7.254 0.644 -13.938 1.00 0.00 C ATOM 1284 CG GLU A 79 7.783 1.181 -15.277 1.00 0.00 C ATOM 1285 CD GLU A 79 9.191 0.659 -15.607 1.00 0.00 C ATOM 1286 OE1 GLU A 79 10.164 1.054 -14.922 1.00 0.00 O ATOM 1287 OE2 GLU A 79 9.340 -0.129 -16.571 1.00 0.00 O ATOM 0 H GLU A 79 5.345 -0.593 -15.001 1.00 0.00 H new ATOM 0 HA GLU A 79 8.003 -1.407 -14.129 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.292 1.113 -13.729 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.937 0.950 -13.145 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.097 0.896 -16.075 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.801 2.270 -15.246 1.00 0.00 H new ATOM 1294 N VAL A 80 5.443 -1.624 -12.173 1.00 0.00 N ATOM 1295 CA VAL A 80 4.892 -1.781 -10.814 1.00 0.00 C ATOM 1296 C VAL A 80 5.306 -3.128 -10.184 1.00 0.00 C ATOM 1297 O VAL A 80 5.007 -4.174 -10.769 1.00 0.00 O ATOM 1298 CB VAL A 80 3.350 -1.637 -10.799 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.806 -1.719 -9.365 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.903 -0.294 -11.401 1.00 0.00 C ATOM 0 H VAL A 80 4.761 -1.810 -12.908 1.00 0.00 H new ATOM 0 HA VAL A 80 5.315 -0.977 -10.212 1.00 0.00 H new ATOM 0 HB VAL A 80 2.955 -2.456 -11.399 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.721 -1.615 -9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.072 -2.682 -8.929 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.238 -0.918 -8.765 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.815 -0.227 -11.374 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.331 0.525 -10.822 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.245 -0.226 -12.434 1.00 0.00 H new ATOM 1310 N PRO A 81 5.953 -3.135 -8.997 1.00 0.00 N ATOM 1311 CA PRO A 81 6.364 -4.353 -8.303 1.00 0.00 C ATOM 1312 C PRO A 81 5.226 -4.979 -7.477 1.00 0.00 C ATOM 1313 O PRO A 81 4.175 -4.377 -7.253 1.00 0.00 O ATOM 1314 CB PRO A 81 7.534 -3.916 -7.413 1.00 0.00 C ATOM 1315 CG PRO A 81 7.150 -2.491 -7.027 1.00 0.00 C ATOM 1316 CD PRO A 81 6.474 -1.967 -8.294 1.00 0.00 C ATOM 0 HA PRO A 81 6.647 -5.135 -9.008 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.639 -4.558 -6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.483 -3.949 -7.948 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.475 -2.472 -6.171 1.00 0.00 H new ATOM 0 HG3 PRO A 81 8.023 -1.896 -6.758 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.671 -1.273 -8.047 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.185 -1.424 -8.917 1.00 0.00 H new ATOM 1324 N ALA A 82 5.464 -6.203 -6.995 1.00 0.00 N ATOM 1325 CA ALA A 82 4.583 -6.951 -6.094 1.00 0.00 C ATOM 1326 C ALA A 82 5.400 -7.776 -5.079 1.00 0.00 C ATOM 1327 O ALA A 82 6.538 -8.161 -5.358 1.00 0.00 O ATOM 1328 CB ALA A 82 3.662 -7.843 -6.941 1.00 0.00 C ATOM 0 H ALA A 82 6.311 -6.720 -7.232 1.00 0.00 H new ATOM 0 HA ALA A 82 3.974 -6.258 -5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.999 -8.407 -6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.068 -7.221 -7.610 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.265 -8.534 -7.529 1.00 0.00 H new ATOM 1334 N VAL A 83 4.815 -8.073 -3.912 1.00 0.00 N ATOM 1335 CA VAL A 83 5.457 -8.801 -2.803 1.00 0.00 C ATOM 1336 C VAL A 83 5.822 -10.266 -3.123 1.00 0.00 C ATOM 1337 O VAL A 83 6.629 -10.870 -2.415 1.00 0.00 O ATOM 1338 CB VAL A 83 4.553 -8.689 -1.550 1.00 0.00 C ATOM 1339 CG1 VAL A 83 3.492 -9.796 -1.426 1.00 0.00 C ATOM 1340 CG2 VAL A 83 5.405 -8.581 -0.289 1.00 0.00 C ATOM 0 H VAL A 83 3.853 -7.807 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 83 6.422 -8.329 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 83 3.978 -7.772 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.906 -9.638 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.834 -9.768 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.984 -10.767 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.756 -8.503 0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.032 -9.468 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.037 -7.695 -0.352 1.00 0.00 H new ATOM 1350 N GLY A 84 5.252 -10.831 -4.196 1.00 0.00 N ATOM 1351 CA GLY A 84 5.542 -12.172 -4.714 1.00 0.00 C ATOM 1352 C GLY A 84 5.051 -12.356 -6.151 1.00 0.00 C ATOM 1353 O GLY A 84 4.161 -11.637 -6.609 1.00 0.00 O ATOM 0 H GLY A 84 4.547 -10.344 -4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.617 -12.351 -4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.071 -12.917 -4.073 1.00 0.00 H new ATOM 1357 N ILE A 85 5.626 -13.330 -6.862 1.00 0.00 N ATOM 1358 CA ILE A 85 5.350 -13.632 -8.278 1.00 0.00 C ATOM 1359 C ILE A 85 4.771 -15.053 -8.394 1.00 0.00 C ATOM 1360 O ILE A 85 5.368 -16.006 -7.887 1.00 0.00 O ATOM 1361 CB ILE A 85 6.650 -13.481 -9.107 1.00 0.00 C ATOM 1362 CG1 ILE A 85 7.353 -12.115 -8.913 1.00 0.00 C ATOM 1363 CG2 ILE A 85 6.383 -13.744 -10.602 1.00 0.00 C ATOM 1364 CD1 ILE A 85 6.565 -10.880 -9.376 1.00 0.00 C ATOM 0 H ILE A 85 6.323 -13.955 -6.457 1.00 0.00 H new ATOM 0 HA ILE A 85 4.616 -12.930 -8.674 1.00 0.00 H new ATOM 0 HB ILE A 85 7.337 -14.237 -8.726 1.00 0.00 H new ATOM 0 HG12 ILE A 85 7.587 -11.996 -7.855 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.302 -12.138 -9.449 1.00 0.00 H new ATOM 0 HG21 ILE A 85 7.311 -13.632 -11.163 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.001 -14.757 -10.731 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.647 -13.030 -10.971 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.155 -9.982 -9.191 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.353 -10.962 -10.442 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.627 -10.818 -8.824 1.00 0.00 H new ATOM 1376 N VAL A 86 3.617 -15.197 -9.052 1.00 0.00 N ATOM 1377 CA VAL A 86 2.845 -16.452 -9.165 1.00 0.00 C ATOM 1378 C VAL A 86 1.795 -16.319 -10.291 1.00 0.00 C ATOM 1379 O VAL A 86 1.159 -15.263 -10.381 1.00 0.00 O ATOM 1380 CB VAL A 86 2.201 -16.831 -7.798 1.00 0.00 C ATOM 1381 CG1 VAL A 86 1.182 -15.799 -7.280 1.00 0.00 C ATOM 1382 CG2 VAL A 86 1.554 -18.224 -7.816 1.00 0.00 C ATOM 0 H VAL A 86 3.173 -14.419 -9.540 1.00 0.00 H new ATOM 0 HA VAL A 86 3.517 -17.268 -9.431 1.00 0.00 H new ATOM 0 HB VAL A 86 3.041 -16.839 -7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.778 -16.134 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.675 -14.836 -7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.371 -15.696 -8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.121 -18.437 -6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.771 -18.252 -8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.310 -18.974 -8.048 1.00 0.00 H new ATOM 1392 N PRO A 87 1.616 -17.327 -11.173 1.00 0.00 N ATOM 1393 CA PRO A 87 0.651 -17.266 -12.273 1.00 0.00 C ATOM 1394 C PRO A 87 -0.803 -17.428 -11.777 1.00 0.00 C ATOM 1395 O PRO A 87 -1.016 -17.909 -10.660 1.00 0.00 O ATOM 1396 CB PRO A 87 1.055 -18.395 -13.229 1.00 0.00 C ATOM 1397 CG PRO A 87 1.683 -19.430 -12.299 1.00 0.00 C ATOM 1398 CD PRO A 87 2.389 -18.562 -11.259 1.00 0.00 C ATOM 0 HA PRO A 87 0.672 -16.295 -12.767 1.00 0.00 H new ATOM 0 HB2 PRO A 87 0.194 -18.801 -13.760 1.00 0.00 H new ATOM 0 HB3 PRO A 87 1.762 -18.050 -13.984 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.931 -20.075 -11.845 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.382 -20.078 -12.828 1.00 0.00 H new ATOM 0 HD2 PRO A 87 2.429 -19.065 -10.293 1.00 0.00 H new ATOM 0 HD3 PRO A 87 3.418 -18.358 -11.555 1.00 0.00 H new ATOM 1406 N PRO A 88 -1.814 -17.055 -12.594 1.00 0.00 N ATOM 1407 CA PRO A 88 -3.231 -17.213 -12.264 1.00 0.00 C ATOM 1408 C PRO A 88 -3.628 -18.674 -11.963 1.00 0.00 C ATOM 1409 O PRO A 88 -3.059 -19.593 -12.563 1.00 0.00 O ATOM 1410 CB PRO A 88 -4.007 -16.682 -13.475 1.00 0.00 C ATOM 1411 CG PRO A 88 -3.033 -15.697 -14.117 1.00 0.00 C ATOM 1412 CD PRO A 88 -1.680 -16.357 -13.867 1.00 0.00 C ATOM 0 HA PRO A 88 -3.459 -16.665 -11.350 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.278 -17.484 -14.162 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.934 -16.193 -13.175 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.230 -15.567 -15.181 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.094 -14.710 -13.659 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.428 -17.050 -14.669 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.883 -15.614 -13.825 1.00 0.00 H new ATOM 1420 N PRO A 89 -4.613 -18.906 -11.071 1.00 0.00 N ATOM 1421 CA PRO A 89 -5.100 -20.239 -10.721 1.00 0.00 C ATOM 1422 C PRO A 89 -5.950 -20.856 -11.845 1.00 0.00 C ATOM 1423 O PRO A 89 -6.442 -20.162 -12.734 1.00 0.00 O ATOM 1424 CB PRO A 89 -5.912 -20.043 -9.436 1.00 0.00 C ATOM 1425 CG PRO A 89 -6.471 -18.630 -9.595 1.00 0.00 C ATOM 1426 CD PRO A 89 -5.334 -17.895 -10.304 1.00 0.00 C ATOM 0 HA PRO A 89 -4.278 -20.940 -10.577 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.707 -20.783 -9.344 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.288 -20.133 -8.547 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.388 -18.622 -10.184 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.707 -18.177 -8.632 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -5.723 -17.114 -10.958 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.675 -17.409 -9.584 1.00 0.00 H new ATOM 1434 N SER A 90 -6.144 -22.175 -11.783 1.00 0.00 N ATOM 1435 CA SER A 90 -6.915 -22.974 -12.756 1.00 0.00 C ATOM 1436 C SER A 90 -7.641 -24.149 -12.072 1.00 0.00 C ATOM 1437 O SER A 90 -7.181 -24.672 -11.050 1.00 0.00 O ATOM 1438 CB SER A 90 -5.990 -23.521 -13.859 1.00 0.00 C ATOM 1439 OG SER A 90 -5.460 -22.491 -14.686 1.00 0.00 O ATOM 0 H SER A 90 -5.757 -22.743 -11.029 1.00 0.00 H new ATOM 0 HA SER A 90 -7.661 -22.314 -13.199 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.169 -24.072 -13.400 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.544 -24.229 -14.476 1.00 0.00 H new ATOM 0 HG SER A 90 -4.879 -22.886 -15.369 1.00 0.00 H new ATOM 1445 N GLY A 91 -8.780 -24.572 -12.638 1.00 0.00 N ATOM 1446 CA GLY A 91 -9.651 -25.622 -12.084 1.00 0.00 C ATOM 1447 C GLY A 91 -10.648 -25.100 -11.030 1.00 0.00 C ATOM 1448 O GLY A 91 -10.749 -23.881 -10.839 1.00 0.00 O ATOM 0 H GLY A 91 -9.131 -24.185 -13.514 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.206 -26.090 -12.897 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.031 -26.397 -11.634 1.00 0.00 H new ATOM 1452 N PRO A 92 -11.404 -25.998 -10.365 1.00 0.00 N ATOM 1453 CA PRO A 92 -12.394 -25.647 -9.346 1.00 0.00 C ATOM 1454 C PRO A 92 -11.774 -24.902 -8.157 1.00 0.00 C ATOM 1455 O PRO A 92 -10.724 -25.288 -7.647 1.00 0.00 O ATOM 1456 CB PRO A 92 -13.027 -26.971 -8.897 1.00 0.00 C ATOM 1457 CG PRO A 92 -12.803 -27.898 -10.090 1.00 0.00 C ATOM 1458 CD PRO A 92 -11.451 -27.431 -10.624 1.00 0.00 C ATOM 0 HA PRO A 92 -13.135 -24.962 -9.758 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.552 -27.357 -7.995 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.087 -26.853 -8.674 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.781 -28.946 -9.791 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -13.591 -27.796 -10.836 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.632 -27.947 -10.124 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -11.356 -27.641 -11.689 1.00 0.00 H new ATOM 1466 N SER A 93 -12.440 -23.846 -7.687 1.00 0.00 N ATOM 1467 CA SER A 93 -11.995 -23.033 -6.540 1.00 0.00 C ATOM 1468 C SER A 93 -12.317 -23.668 -5.169 1.00 0.00 C ATOM 1469 O SER A 93 -11.802 -23.227 -4.138 1.00 0.00 O ATOM 1470 CB SER A 93 -12.602 -21.624 -6.650 1.00 0.00 C ATOM 1471 OG SER A 93 -14.019 -21.665 -6.801 1.00 0.00 O ATOM 0 H SER A 93 -13.317 -23.522 -8.094 1.00 0.00 H new ATOM 0 HA SER A 93 -10.907 -22.977 -6.586 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.348 -21.049 -5.759 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.161 -21.104 -7.501 1.00 0.00 H new ATOM 0 HG SER A 93 -14.368 -20.751 -6.866 1.00 0.00 H new ATOM 1477 N SER A 94 -13.129 -24.729 -5.140 1.00 0.00 N ATOM 1478 CA SER A 94 -13.550 -25.443 -3.919 1.00 0.00 C ATOM 1479 C SER A 94 -12.634 -26.631 -3.541 1.00 0.00 C ATOM 1480 O SER A 94 -12.841 -27.258 -2.496 1.00 0.00 O ATOM 1481 CB SER A 94 -15.000 -25.936 -4.075 1.00 0.00 C ATOM 1482 OG SER A 94 -15.899 -24.867 -4.358 1.00 0.00 O ATOM 0 H SER A 94 -13.527 -25.131 -5.989 1.00 0.00 H new ATOM 0 HA SER A 94 -13.473 -24.723 -3.104 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.048 -26.673 -4.877 1.00 0.00 H new ATOM 0 HB3 SER A 94 -15.312 -26.440 -3.160 1.00 0.00 H new ATOM 0 HG SER A 94 -16.808 -25.220 -4.452 1.00 0.00 H new ATOM 1488 N GLY A 95 -11.629 -26.957 -4.369 1.00 0.00 N ATOM 1489 CA GLY A 95 -10.695 -28.078 -4.160 1.00 0.00 C ATOM 1490 C GLY A 95 -9.664 -28.227 -5.278 1.00 0.00 C ATOM 1491 O GLY A 95 -9.940 -28.977 -6.241 1.00 0.00 O ATOM 1492 OXT GLY A 95 -8.582 -27.607 -5.174 1.00 0.00 O ATOM 0 H GLY A 95 -11.437 -26.436 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.175 -27.936 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.264 -29.004 -4.075 1.00 0.00 H new TER 1496 GLY A 95