USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 412 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 9 THR OG1 : rot -39:sc= 1.19 USER MOD Set 1.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 33:sc= 0.489 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.535 K(o=-0.54,f=-1.6) USER MOD Single : A 13 MET CE :methyl -166:sc= -6.86! (180deg=-8!) USER MOD Single : A 15 HIS : no HE2:sc= 0.677 K(o=0.68,f=-2.8!) USER MOD Single : A 19 MET CE :methyl -152:sc= -3.02! (180deg=-4.66) USER MOD Single : A 22 CYS SG : rot 180:sc= -0.143 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 27 ASN : amide:sc= -3.16! C(o=-3.2!,f=-4.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -6.2! C(o=-6.2!,f=-7!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.5!) USER MOD Single : A 40 GLN : amide:sc= -0.0838 K(o=-0.084,f=-0.59) USER MOD Single : A 43 THR OG1 : rot 77:sc= 0.989 USER MOD Single : A 47 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.00061) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 69:sc= 0.524 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.925 16.436 5.819 1.00 0.00 N ATOM 2 CA GLY A 1 -7.237 15.132 5.263 1.00 0.00 C ATOM 3 C GLY A 1 -6.010 14.420 4.729 1.00 0.00 C ATOM 4 O GLY A 1 -5.551 14.704 3.623 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.797 16.881 6.170 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.252 16.327 6.604 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.503 17.036 5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.705 14.516 6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.964 15.248 4.460 1.00 0.00 H new ATOM 8 N SER A 2 -5.476 13.493 5.518 1.00 0.00 N ATOM 9 CA SER A 2 -4.291 12.742 5.120 1.00 0.00 C ATOM 10 C SER A 2 -4.667 11.577 4.209 1.00 0.00 C ATOM 11 O SER A 2 -4.229 11.508 3.060 1.00 0.00 O ATOM 12 CB SER A 2 -3.554 12.221 6.355 1.00 0.00 C ATOM 13 OG SER A 2 -2.243 11.796 6.025 1.00 0.00 O ATOM 0 H SER A 2 -5.845 13.244 6.436 1.00 0.00 H new ATOM 0 HA SER A 2 -3.633 13.414 4.569 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.506 13.005 7.111 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.110 11.391 6.791 1.00 0.00 H new ATOM 0 HG SER A 2 -1.792 11.469 6.832 1.00 0.00 H new ATOM 19 N SER A 3 -5.480 10.664 4.730 1.00 0.00 N ATOM 20 CA SER A 3 -5.912 9.500 3.966 1.00 0.00 C ATOM 21 C SER A 3 -7.350 9.669 3.485 1.00 0.00 C ATOM 22 O SER A 3 -8.266 9.854 4.284 1.00 0.00 O ATOM 23 CB SER A 3 -5.792 8.233 4.816 1.00 0.00 C ATOM 24 OG SER A 3 -6.679 8.274 5.920 1.00 0.00 O ATOM 0 H SER A 3 -5.853 10.708 5.678 1.00 0.00 H new ATOM 0 HA SER A 3 -5.264 9.407 3.094 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.009 7.358 4.203 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.767 8.126 5.172 1.00 0.00 H new ATOM 0 HG SER A 3 -7.491 8.761 5.669 1.00 0.00 H new ATOM 30 N GLY A 4 -7.539 9.604 2.170 1.00 0.00 N ATOM 31 CA GLY A 4 -8.866 9.752 1.603 1.00 0.00 C ATOM 32 C GLY A 4 -8.832 10.201 0.156 1.00 0.00 C ATOM 33 O GLY A 4 -8.475 9.429 -0.733 1.00 0.00 O ATOM 0 H GLY A 4 -6.796 9.451 1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.395 8.802 1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.430 10.475 2.191 1.00 0.00 H new ATOM 37 N SER A 5 -9.205 11.455 -0.081 1.00 0.00 N ATOM 38 CA SER A 5 -9.221 12.005 -1.432 1.00 0.00 C ATOM 39 C SER A 5 -7.828 12.468 -1.846 1.00 0.00 C ATOM 40 O SER A 5 -7.301 12.044 -2.875 1.00 0.00 O ATOM 41 CB SER A 5 -10.206 13.173 -1.518 1.00 0.00 C ATOM 42 OG SER A 5 -10.396 13.581 -2.862 1.00 0.00 O ATOM 0 H SER A 5 -9.500 12.109 0.644 1.00 0.00 H new ATOM 0 HA SER A 5 -9.541 11.218 -2.115 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.162 12.879 -1.085 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.834 14.011 -0.929 1.00 0.00 H new ATOM 0 HG SER A 5 -11.031 14.327 -2.891 1.00 0.00 H new ATOM 48 N SER A 6 -7.236 13.340 -1.037 1.00 0.00 N ATOM 49 CA SER A 6 -5.905 13.865 -1.320 1.00 0.00 C ATOM 50 C SER A 6 -4.854 12.763 -1.220 1.00 0.00 C ATOM 51 O SER A 6 -3.988 12.636 -2.084 1.00 0.00 O ATOM 52 CB SER A 6 -5.565 15.000 -0.353 1.00 0.00 C ATOM 53 OG SER A 6 -4.216 15.409 -0.500 1.00 0.00 O ATOM 0 H SER A 6 -7.657 13.698 -0.180 1.00 0.00 H new ATOM 0 HA SER A 6 -5.903 14.253 -2.339 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.227 15.847 -0.534 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.739 14.673 0.672 1.00 0.00 H new ATOM 0 HG SER A 6 -4.024 16.136 0.128 1.00 0.00 H new ATOM 59 N GLY A 7 -4.939 11.969 -0.157 1.00 0.00 N ATOM 60 CA GLY A 7 -3.990 10.888 0.038 1.00 0.00 C ATOM 61 C GLY A 7 -4.116 9.808 -1.018 1.00 0.00 C ATOM 62 O GLY A 7 -5.191 9.241 -1.209 1.00 0.00 O ATOM 0 H GLY A 7 -5.647 12.055 0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.977 11.291 0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.143 10.448 1.023 1.00 0.00 H new ATOM 66 N GLN A 8 -3.015 9.525 -1.706 1.00 0.00 N ATOM 67 CA GLN A 8 -3.008 8.507 -2.751 1.00 0.00 C ATOM 68 C GLN A 8 -3.070 7.108 -2.147 1.00 0.00 C ATOM 69 O GLN A 8 -2.054 6.418 -2.045 1.00 0.00 O ATOM 70 CB GLN A 8 -1.756 8.646 -3.619 1.00 0.00 C ATOM 71 CG GLN A 8 -1.941 8.134 -5.039 1.00 0.00 C ATOM 72 CD GLN A 8 -3.059 8.847 -5.775 1.00 0.00 C ATOM 73 OE1 GLN A 8 -4.220 8.440 -5.709 1.00 0.00 O ATOM 74 NE2 GLN A 8 -2.715 9.916 -6.482 1.00 0.00 N ATOM 0 H GLN A 8 -2.117 9.986 -1.559 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.891 8.654 -3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.464 9.695 -3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.936 8.103 -3.149 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.010 8.260 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.153 7.065 -5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.741 10.218 -6.509 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.425 10.436 -6.999 1.00 0.00 H new ATOM 83 N THR A 9 -4.268 6.693 -1.748 1.00 0.00 N ATOM 84 CA THR A 9 -4.462 5.377 -1.154 1.00 0.00 C ATOM 85 C THR A 9 -5.187 4.441 -2.115 1.00 0.00 C ATOM 86 O THR A 9 -4.672 3.380 -2.469 1.00 0.00 O ATOM 87 CB THR A 9 -5.263 5.466 0.159 1.00 0.00 C ATOM 88 OG1 THR A 9 -4.583 6.314 1.091 1.00 0.00 O ATOM 89 CG2 THR A 9 -5.456 4.086 0.770 1.00 0.00 C ATOM 0 H THR A 9 -5.119 7.250 -1.826 1.00 0.00 H new ATOM 0 HA THR A 9 -3.471 4.978 -0.940 1.00 0.00 H new ATOM 0 HB THR A 9 -6.243 5.887 -0.067 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.617 6.161 1.028 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.024 4.174 1.696 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.999 3.451 0.070 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.483 3.643 0.982 1.00 0.00 H new ATOM 97 N ALA A 10 -6.383 4.840 -2.533 1.00 0.00 N ATOM 98 CA ALA A 10 -7.177 4.038 -3.456 1.00 0.00 C ATOM 99 C ALA A 10 -6.330 3.547 -4.625 1.00 0.00 C ATOM 100 O ALA A 10 -6.369 2.370 -4.981 1.00 0.00 O ATOM 101 CB ALA A 10 -8.366 4.840 -3.963 1.00 0.00 C ATOM 0 H ALA A 10 -6.824 5.714 -2.247 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.545 3.165 -2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.950 4.229 -4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.991 5.136 -3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.010 5.730 -4.481 1.00 0.00 H new ATOM 107 N ALA A 11 -5.565 4.457 -5.219 1.00 0.00 N ATOM 108 CA ALA A 11 -4.708 4.116 -6.347 1.00 0.00 C ATOM 109 C ALA A 11 -4.083 2.737 -6.165 1.00 0.00 C ATOM 110 O ALA A 11 -4.277 1.842 -6.988 1.00 0.00 O ATOM 111 CB ALA A 11 -3.624 5.170 -6.525 1.00 0.00 C ATOM 0 H ALA A 11 -5.522 5.436 -4.937 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.325 4.090 -7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.991 4.902 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.086 6.140 -6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.017 5.224 -5.621 1.00 0.00 H new ATOM 117 N LEU A 12 -3.331 2.572 -5.081 1.00 0.00 N ATOM 118 CA LEU A 12 -2.677 1.302 -4.791 1.00 0.00 C ATOM 119 C LEU A 12 -3.705 0.194 -4.583 1.00 0.00 C ATOM 120 O LEU A 12 -3.756 -0.769 -5.347 1.00 0.00 O ATOM 121 CB LEU A 12 -1.794 1.433 -3.549 1.00 0.00 C ATOM 122 CG LEU A 12 -0.560 2.324 -3.693 1.00 0.00 C ATOM 123 CD1 LEU A 12 0.349 1.802 -4.795 1.00 0.00 C ATOM 124 CD2 LEU A 12 -0.970 3.762 -3.975 1.00 0.00 C ATOM 0 H LEU A 12 -3.160 3.302 -4.390 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.055 1.039 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.404 1.821 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.465 0.436 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.008 2.302 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.222 2.449 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.671 0.789 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.193 1.794 -5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.079 4.382 -4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.545 3.802 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.581 4.134 -3.152 1.00 0.00 H new ATOM 136 N MET A 13 -4.523 0.340 -3.546 1.00 0.00 N ATOM 137 CA MET A 13 -5.552 -0.646 -3.240 1.00 0.00 C ATOM 138 C MET A 13 -6.134 -1.239 -4.520 1.00 0.00 C ATOM 139 O MET A 13 -6.420 -2.434 -4.587 1.00 0.00 O ATOM 140 CB MET A 13 -6.666 -0.011 -2.406 1.00 0.00 C ATOM 141 CG MET A 13 -6.183 0.561 -1.083 1.00 0.00 C ATOM 142 SD MET A 13 -5.006 -0.519 -0.248 1.00 0.00 S ATOM 143 CE MET A 13 -5.847 -0.799 1.308 1.00 0.00 C ATOM 0 H MET A 13 -4.493 1.132 -2.904 1.00 0.00 H new ATOM 0 HA MET A 13 -5.091 -1.449 -2.665 1.00 0.00 H new ATOM 0 HB2 MET A 13 -7.135 0.783 -2.986 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.434 -0.759 -2.210 1.00 0.00 H new ATOM 0 HG2 MET A 13 -5.718 1.531 -1.259 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.040 0.731 -0.431 1.00 0.00 H new ATOM 0 HE1 MET A 13 -5.151 -1.235 2.024 1.00 0.00 H new ATOM 0 HE2 MET A 13 -6.220 0.149 1.696 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.683 -1.481 1.152 1.00 0.00 H new ATOM 153 N ALA A 14 -6.307 -0.395 -5.532 1.00 0.00 N ATOM 154 CA ALA A 14 -6.854 -0.837 -6.809 1.00 0.00 C ATOM 155 C ALA A 14 -5.939 -1.861 -7.473 1.00 0.00 C ATOM 156 O ALA A 14 -6.365 -2.971 -7.795 1.00 0.00 O ATOM 157 CB ALA A 14 -7.071 0.355 -7.730 1.00 0.00 C ATOM 0 H ALA A 14 -6.076 0.598 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.815 -1.316 -6.619 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.480 0.011 -8.680 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.769 1.051 -7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.120 0.858 -7.905 1.00 0.00 H new ATOM 163 N HIS A 15 -4.681 -1.481 -7.675 1.00 0.00 N ATOM 164 CA HIS A 15 -3.707 -2.367 -8.301 1.00 0.00 C ATOM 165 C HIS A 15 -3.775 -3.765 -7.693 1.00 0.00 C ATOM 166 O HIS A 15 -3.553 -4.764 -8.380 1.00 0.00 O ATOM 167 CB HIS A 15 -2.296 -1.799 -8.145 1.00 0.00 C ATOM 168 CG HIS A 15 -1.943 -0.779 -9.184 1.00 0.00 C ATOM 169 ND1 HIS A 15 -2.194 -0.956 -10.528 1.00 0.00 N ATOM 170 CD2 HIS A 15 -1.357 0.436 -9.068 1.00 0.00 C ATOM 171 CE1 HIS A 15 -1.776 0.105 -11.195 1.00 0.00 C ATOM 172 NE2 HIS A 15 -1.264 0.965 -10.332 1.00 0.00 N ATOM 0 H HIS A 15 -4.313 -0.566 -7.414 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.947 -2.439 -9.362 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.202 -1.347 -7.157 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -1.577 -2.617 -8.191 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -2.634 -1.778 -10.943 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.025 0.902 -8.152 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.842 0.246 -12.264 1.00 0.00 H new ATOM 181 N LEU A 16 -4.081 -3.830 -6.402 1.00 0.00 N ATOM 182 CA LEU A 16 -4.178 -5.106 -5.702 1.00 0.00 C ATOM 183 C LEU A 16 -5.452 -5.848 -6.095 1.00 0.00 C ATOM 184 O LEU A 16 -5.410 -7.020 -6.468 1.00 0.00 O ATOM 185 CB LEU A 16 -4.150 -4.883 -4.189 1.00 0.00 C ATOM 186 CG LEU A 16 -2.812 -4.432 -3.602 1.00 0.00 C ATOM 187 CD1 LEU A 16 -1.702 -5.389 -4.006 1.00 0.00 C ATOM 188 CD2 LEU A 16 -2.485 -3.014 -4.047 1.00 0.00 C ATOM 0 H LEU A 16 -4.266 -3.014 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.322 -5.716 -5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.904 -4.137 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.444 -5.811 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.893 -4.441 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.758 -5.052 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.931 -6.389 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.621 -5.414 -5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.529 -2.710 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.424 -2.979 -5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.267 -2.336 -3.706 1.00 0.00 H new ATOM 200 N PHE A 17 -6.583 -5.156 -6.010 1.00 0.00 N ATOM 201 CA PHE A 17 -7.869 -5.749 -6.357 1.00 0.00 C ATOM 202 C PHE A 17 -7.876 -6.220 -7.808 1.00 0.00 C ATOM 203 O PHE A 17 -8.466 -7.250 -8.133 1.00 0.00 O ATOM 204 CB PHE A 17 -8.997 -4.740 -6.132 1.00 0.00 C ATOM 205 CG PHE A 17 -9.588 -4.799 -4.752 1.00 0.00 C ATOM 206 CD1 PHE A 17 -10.574 -5.724 -4.445 1.00 0.00 C ATOM 207 CD2 PHE A 17 -9.158 -3.931 -3.762 1.00 0.00 C ATOM 208 CE1 PHE A 17 -11.119 -5.782 -3.177 1.00 0.00 C ATOM 209 CE2 PHE A 17 -9.699 -3.984 -2.491 1.00 0.00 C ATOM 210 CZ PHE A 17 -10.682 -4.910 -2.199 1.00 0.00 C ATOM 0 H PHE A 17 -6.635 -4.184 -5.704 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.029 -6.613 -5.712 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.616 -3.735 -6.313 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.785 -4.919 -6.864 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.920 -6.407 -5.206 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.391 -3.204 -3.986 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.886 -6.508 -2.951 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -9.354 -3.303 -1.727 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.108 -4.952 -1.207 1.00 0.00 H new ATOM 220 N GLU A 18 -7.217 -5.458 -8.675 1.00 0.00 N ATOM 221 CA GLU A 18 -7.149 -5.798 -10.092 1.00 0.00 C ATOM 222 C GLU A 18 -6.136 -6.912 -10.336 1.00 0.00 C ATOM 223 O GLU A 18 -6.246 -7.664 -11.304 1.00 0.00 O ATOM 224 CB GLU A 18 -6.776 -4.565 -10.917 1.00 0.00 C ATOM 225 CG GLU A 18 -5.287 -4.260 -10.917 1.00 0.00 C ATOM 226 CD GLU A 18 -4.936 -3.064 -11.780 1.00 0.00 C ATOM 227 OE1 GLU A 18 -5.861 -2.322 -12.172 1.00 0.00 O ATOM 228 OE2 GLU A 18 -3.735 -2.869 -12.064 1.00 0.00 O ATOM 0 H GLU A 18 -6.723 -4.602 -8.422 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.133 -6.151 -10.403 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.108 -4.712 -11.945 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.315 -3.701 -10.528 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.958 -4.074 -9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.741 -5.133 -11.274 1.00 0.00 H new ATOM 235 N MET A 19 -5.150 -7.012 -9.451 1.00 0.00 N ATOM 236 CA MET A 19 -4.117 -8.035 -9.569 1.00 0.00 C ATOM 237 C MET A 19 -4.628 -9.384 -9.073 1.00 0.00 C ATOM 238 O MET A 19 -4.774 -10.327 -9.849 1.00 0.00 O ATOM 239 CB MET A 19 -2.872 -7.627 -8.780 1.00 0.00 C ATOM 240 CG MET A 19 -1.869 -6.829 -9.598 1.00 0.00 C ATOM 241 SD MET A 19 -0.300 -6.598 -8.739 1.00 0.00 S ATOM 242 CE MET A 19 -0.486 -4.920 -8.140 1.00 0.00 C ATOM 0 H MET A 19 -5.044 -6.397 -8.644 1.00 0.00 H new ATOM 0 HA MET A 19 -3.855 -8.131 -10.623 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.177 -7.036 -7.916 1.00 0.00 H new ATOM 0 HB3 MET A 19 -2.385 -8.523 -8.397 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.689 -7.340 -10.544 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.295 -5.855 -9.838 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.496 -4.457 -8.044 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.090 -4.347 -8.844 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.978 -4.933 -7.167 1.00 0.00 H new ATOM 252 N GLY A 20 -4.899 -9.468 -7.774 1.00 0.00 N ATOM 253 CA GLY A 20 -5.391 -10.705 -7.197 1.00 0.00 C ATOM 254 C GLY A 20 -5.231 -10.746 -5.690 1.00 0.00 C ATOM 255 O GLY A 20 -4.996 -11.807 -5.112 1.00 0.00 O ATOM 0 H GLY A 20 -4.786 -8.701 -7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.444 -10.827 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.857 -11.546 -7.639 1.00 0.00 H new ATOM 259 N PHE A 21 -5.358 -9.588 -5.052 1.00 0.00 N ATOM 260 CA PHE A 21 -5.223 -9.495 -3.603 1.00 0.00 C ATOM 261 C PHE A 21 -6.461 -8.853 -2.982 1.00 0.00 C ATOM 262 O PHE A 21 -6.700 -7.656 -3.143 1.00 0.00 O ATOM 263 CB PHE A 21 -3.977 -8.686 -3.236 1.00 0.00 C ATOM 264 CG PHE A 21 -2.690 -9.401 -3.532 1.00 0.00 C ATOM 265 CD1 PHE A 21 -2.176 -10.329 -2.640 1.00 0.00 C ATOM 266 CD2 PHE A 21 -1.993 -9.145 -4.702 1.00 0.00 C ATOM 267 CE1 PHE A 21 -0.992 -10.989 -2.910 1.00 0.00 C ATOM 268 CE2 PHE A 21 -0.809 -9.802 -4.977 1.00 0.00 C ATOM 269 CZ PHE A 21 -0.307 -10.724 -4.079 1.00 0.00 C ATOM 0 H PHE A 21 -5.554 -8.701 -5.515 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.121 -10.505 -3.207 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.993 -7.742 -3.781 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.012 -8.442 -2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.707 -10.539 -1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.380 -8.424 -5.407 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.603 -11.711 -2.207 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.276 -9.595 -5.893 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.620 -11.237 -4.291 1.00 0.00 H new ATOM 279 N CYS A 22 -7.243 -9.658 -2.272 1.00 0.00 N ATOM 280 CA CYS A 22 -8.458 -9.170 -1.627 1.00 0.00 C ATOM 281 C CYS A 22 -8.148 -8.598 -0.247 1.00 0.00 C ATOM 282 O CYS A 22 -8.740 -7.602 0.170 1.00 0.00 O ATOM 283 CB CYS A 22 -9.484 -10.298 -1.507 1.00 0.00 C ATOM 284 SG CYS A 22 -8.882 -11.752 -0.618 1.00 0.00 S ATOM 0 H CYS A 22 -7.058 -10.651 -2.128 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.875 -8.374 -2.245 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -10.370 -9.916 -1.000 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -9.795 -10.600 -2.507 1.00 0.00 H new ATOM 0 HG CYS A 22 -9.821 -12.649 -0.567 1.00 0.00 H new ATOM 290 N ASP A 23 -7.219 -9.235 0.457 1.00 0.00 N ATOM 291 CA ASP A 23 -6.832 -8.791 1.790 1.00 0.00 C ATOM 292 C ASP A 23 -6.640 -7.278 1.824 1.00 0.00 C ATOM 293 O ASP A 23 -5.547 -6.775 1.560 1.00 0.00 O ATOM 294 CB ASP A 23 -5.545 -9.491 2.231 1.00 0.00 C ATOM 295 CG ASP A 23 -5.584 -10.985 1.979 1.00 0.00 C ATOM 296 OD1 ASP A 23 -6.278 -11.697 2.735 1.00 0.00 O ATOM 297 OD2 ASP A 23 -4.920 -11.443 1.026 1.00 0.00 O ATOM 0 H ASP A 23 -6.720 -10.061 0.126 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.634 -9.053 2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.698 -9.058 1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.381 -9.309 3.293 1.00 0.00 H new ATOM 302 N ARG A 24 -7.708 -6.558 2.149 1.00 0.00 N ATOM 303 CA ARG A 24 -7.658 -5.102 2.215 1.00 0.00 C ATOM 304 C ARG A 24 -6.986 -4.639 3.504 1.00 0.00 C ATOM 305 O ARG A 24 -5.990 -3.916 3.471 1.00 0.00 O ATOM 306 CB ARG A 24 -9.068 -4.517 2.124 1.00 0.00 C ATOM 307 CG ARG A 24 -9.101 -2.998 2.164 1.00 0.00 C ATOM 308 CD ARG A 24 -10.512 -2.477 2.392 1.00 0.00 C ATOM 309 NE ARG A 24 -10.643 -1.071 2.018 1.00 0.00 N ATOM 310 CZ ARG A 24 -10.135 -0.071 2.729 1.00 0.00 C ATOM 311 NH1 ARG A 24 -9.464 -0.321 3.845 1.00 0.00 N ATOM 312 NH2 ARG A 24 -10.296 1.182 2.324 1.00 0.00 N ATOM 0 H ARG A 24 -8.619 -6.959 2.371 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.069 -4.745 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.535 -4.858 1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.668 -4.907 2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.447 -2.640 2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.712 -2.600 1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.217 -3.073 1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.778 -2.599 3.442 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.153 -0.845 1.164 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.337 -1.283 4.159 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.075 0.449 4.389 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.811 1.378 1.465 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.905 1.949 2.871 1.00 0.00 H new ATOM 326 N GLN A 25 -7.537 -5.061 4.638 1.00 0.00 N ATOM 327 CA GLN A 25 -6.991 -4.688 5.937 1.00 0.00 C ATOM 328 C GLN A 25 -5.467 -4.735 5.922 1.00 0.00 C ATOM 329 O GLN A 25 -4.802 -3.800 6.368 1.00 0.00 O ATOM 330 CB GLN A 25 -7.531 -5.617 7.026 1.00 0.00 C ATOM 331 CG GLN A 25 -7.211 -7.084 6.788 1.00 0.00 C ATOM 332 CD GLN A 25 -7.752 -7.984 7.881 1.00 0.00 C ATOM 333 OE1 GLN A 25 -7.959 -7.549 9.014 1.00 0.00 O ATOM 334 NE2 GLN A 25 -7.984 -9.248 7.547 1.00 0.00 N ATOM 0 H GLN A 25 -8.361 -5.661 4.683 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.302 -3.666 6.153 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.117 -5.315 7.988 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.612 -5.496 7.092 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -7.628 -7.392 5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.130 -7.210 6.721 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.798 -9.567 6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.348 -9.900 8.241 1.00 0.00 H new ATOM 343 N LEU A 26 -4.920 -5.830 5.405 1.00 0.00 N ATOM 344 CA LEU A 26 -3.473 -6.000 5.331 1.00 0.00 C ATOM 345 C LEU A 26 -2.849 -4.963 4.402 1.00 0.00 C ATOM 346 O LEU A 26 -1.948 -4.225 4.795 1.00 0.00 O ATOM 347 CB LEU A 26 -3.129 -7.409 4.845 1.00 0.00 C ATOM 348 CG LEU A 26 -1.643 -7.770 4.830 1.00 0.00 C ATOM 349 CD1 LEU A 26 -1.452 -9.230 4.449 1.00 0.00 C ATOM 350 CD2 LEU A 26 -0.883 -6.863 3.873 1.00 0.00 C ATOM 0 H LEU A 26 -5.456 -6.613 5.031 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.064 -5.857 6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.650 -8.127 5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.522 -7.529 3.835 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.243 -7.622 5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.388 -9.468 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.963 -9.865 5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.868 -9.405 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.173 -7.134 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.285 -6.978 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.992 -5.826 4.191 1.00 0.00 H new ATOM 362 N ASN A 27 -3.338 -4.913 3.167 1.00 0.00 N ATOM 363 CA ASN A 27 -2.830 -3.965 2.181 1.00 0.00 C ATOM 364 C ASN A 27 -2.481 -2.633 2.838 1.00 0.00 C ATOM 365 O ASN A 27 -1.410 -2.073 2.599 1.00 0.00 O ATOM 366 CB ASN A 27 -3.863 -3.746 1.074 1.00 0.00 C ATOM 367 CG ASN A 27 -4.134 -5.008 0.278 1.00 0.00 C ATOM 368 OD1 ASN A 27 -3.350 -5.956 0.311 1.00 0.00 O ATOM 369 ND2 ASN A 27 -5.250 -5.024 -0.442 1.00 0.00 N ATOM 0 H ASN A 27 -4.085 -5.517 2.825 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.923 -4.383 1.744 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.794 -3.391 1.515 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.510 -2.964 0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.487 -5.846 -0.998 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.871 -4.214 -0.439 1.00 0.00 H new ATOM 376 N LEU A 28 -3.391 -2.131 3.666 1.00 0.00 N ATOM 377 CA LEU A 28 -3.179 -0.865 4.358 1.00 0.00 C ATOM 378 C LEU A 28 -1.803 -0.826 5.014 1.00 0.00 C ATOM 379 O LEU A 28 -0.904 -0.123 4.553 1.00 0.00 O ATOM 380 CB LEU A 28 -4.266 -0.650 5.413 1.00 0.00 C ATOM 381 CG LEU A 28 -5.522 0.086 4.944 1.00 0.00 C ATOM 382 CD1 LEU A 28 -5.148 1.288 4.091 1.00 0.00 C ATOM 383 CD2 LEU A 28 -6.434 -0.856 4.171 1.00 0.00 C ATOM 0 H LEU A 28 -4.282 -2.581 3.874 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.232 -0.063 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.564 -1.624 5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.832 -0.094 6.244 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.061 0.443 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.054 1.800 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.535 1.973 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.587 0.954 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.323 -0.316 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.904 -1.242 3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.729 -1.686 4.814 1.00 0.00 H new ATOM 395 N ARG A 29 -1.645 -1.588 6.092 1.00 0.00 N ATOM 396 CA ARG A 29 -0.378 -1.641 6.810 1.00 0.00 C ATOM 397 C ARG A 29 0.800 -1.537 5.845 1.00 0.00 C ATOM 398 O ARG A 29 1.730 -0.760 6.065 1.00 0.00 O ATOM 399 CB ARG A 29 -0.278 -2.938 7.616 1.00 0.00 C ATOM 400 CG ARG A 29 -1.158 -2.955 8.855 1.00 0.00 C ATOM 401 CD ARG A 29 -1.113 -4.305 9.552 1.00 0.00 C ATOM 402 NE ARG A 29 -0.038 -4.377 10.538 1.00 0.00 N ATOM 403 CZ ARG A 29 -0.015 -3.656 11.653 1.00 0.00 C ATOM 404 NH1 ARG A 29 -1.004 -2.814 11.923 1.00 0.00 N ATOM 405 NH2 ARG A 29 0.997 -3.777 12.502 1.00 0.00 N ATOM 0 H ARG A 29 -2.379 -2.177 6.487 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.341 -0.792 7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.552 -3.776 6.975 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.759 -3.091 7.915 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.831 -2.177 9.545 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.186 -2.723 8.576 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.068 -4.491 10.043 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.977 -5.092 8.810 1.00 0.00 H new ATOM 0 HE ARG A 29 0.737 -5.016 10.361 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.785 -2.719 11.273 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.984 -2.262 12.780 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.759 -4.424 12.299 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.014 -3.223 13.358 1.00 0.00 H new ATOM 419 N LEU A 30 0.753 -2.325 4.777 1.00 0.00 N ATOM 420 CA LEU A 30 1.816 -2.323 3.777 1.00 0.00 C ATOM 421 C LEU A 30 2.023 -0.923 3.206 1.00 0.00 C ATOM 422 O LEU A 30 3.154 -0.449 3.092 1.00 0.00 O ATOM 423 CB LEU A 30 1.485 -3.302 2.650 1.00 0.00 C ATOM 424 CG LEU A 30 1.962 -4.741 2.850 1.00 0.00 C ATOM 425 CD1 LEU A 30 1.365 -5.654 1.790 1.00 0.00 C ATOM 426 CD2 LEU A 30 3.482 -4.808 2.819 1.00 0.00 C ATOM 0 H LEU A 30 -0.009 -2.974 4.581 1.00 0.00 H new ATOM 0 HA LEU A 30 2.739 -2.638 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.404 -3.315 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.920 -2.921 1.726 1.00 0.00 H new ATOM 0 HG LEU A 30 1.623 -5.083 3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.716 -6.674 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.277 -5.630 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.673 -5.314 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.804 -5.839 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.843 -4.446 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.890 -4.186 3.616 1.00 0.00 H new ATOM 438 N LEU A 31 0.924 -0.267 2.850 1.00 0.00 N ATOM 439 CA LEU A 31 0.985 1.080 2.293 1.00 0.00 C ATOM 440 C LEU A 31 1.544 2.067 3.313 1.00 0.00 C ATOM 441 O LEU A 31 2.601 2.663 3.102 1.00 0.00 O ATOM 442 CB LEU A 31 -0.406 1.529 1.842 1.00 0.00 C ATOM 443 CG LEU A 31 -1.108 0.623 0.829 1.00 0.00 C ATOM 444 CD1 LEU A 31 -2.540 1.084 0.603 1.00 0.00 C ATOM 445 CD2 LEU A 31 -0.341 0.596 -0.484 1.00 0.00 C ATOM 0 H LEU A 31 -0.019 -0.645 2.937 1.00 0.00 H new ATOM 0 HA LEU A 31 1.652 1.060 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.041 1.616 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.322 2.526 1.410 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.133 -0.389 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.024 0.428 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.086 1.050 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.538 2.105 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.855 -0.054 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.283 1.605 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.666 0.217 -0.309 1.00 0.00 H new ATOM 457 N LYS A 32 0.830 2.233 4.421 1.00 0.00 N ATOM 458 CA LYS A 32 1.256 3.144 5.477 1.00 0.00 C ATOM 459 C LYS A 32 2.665 2.806 5.952 1.00 0.00 C ATOM 460 O LYS A 32 3.305 3.597 6.645 1.00 0.00 O ATOM 461 CB LYS A 32 0.280 3.085 6.654 1.00 0.00 C ATOM 462 CG LYS A 32 -0.998 3.871 6.425 1.00 0.00 C ATOM 463 CD LYS A 32 -2.072 3.496 7.433 1.00 0.00 C ATOM 464 CE LYS A 32 -3.414 4.118 7.076 1.00 0.00 C ATOM 465 NZ LYS A 32 -3.521 5.522 7.559 1.00 0.00 N ATOM 0 H LYS A 32 -0.047 1.748 4.611 1.00 0.00 H new ATOM 0 HA LYS A 32 1.263 4.155 5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.025 2.044 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.776 3.467 7.546 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.788 4.938 6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.365 3.685 5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.172 2.411 7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.770 3.825 8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.549 4.095 5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.217 3.523 7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.449 5.910 7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.418 5.542 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.770 6.097 7.125 1.00 0.00 H new ATOM 479 N LYS A 33 3.144 1.625 5.575 1.00 0.00 N ATOM 480 CA LYS A 33 4.479 1.182 5.960 1.00 0.00 C ATOM 481 C LYS A 33 5.471 1.390 4.821 1.00 0.00 C ATOM 482 O LYS A 33 6.654 1.644 5.052 1.00 0.00 O ATOM 483 CB LYS A 33 4.452 -0.294 6.364 1.00 0.00 C ATOM 484 CG LYS A 33 5.797 -0.820 6.834 1.00 0.00 C ATOM 485 CD LYS A 33 6.610 -1.381 5.680 1.00 0.00 C ATOM 486 CE LYS A 33 7.891 -2.041 6.169 1.00 0.00 C ATOM 487 NZ LYS A 33 9.017 -1.070 6.253 1.00 0.00 N ATOM 0 H LYS A 33 2.627 0.957 5.003 1.00 0.00 H new ATOM 0 HA LYS A 33 4.801 1.780 6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.719 -0.431 7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.115 -0.889 5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.354 -0.017 7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.643 -1.596 7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.011 -2.108 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.855 -0.580 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.720 -2.484 7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.161 -2.854 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.872 -1.558 6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.197 -0.665 5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.769 -0.308 6.916 1.00 0.00 H new ATOM 501 N HIS A 34 4.983 1.282 3.589 1.00 0.00 N ATOM 502 CA HIS A 34 5.827 1.460 2.413 1.00 0.00 C ATOM 503 C HIS A 34 5.455 2.737 1.666 1.00 0.00 C ATOM 504 O HIS A 34 5.604 2.821 0.448 1.00 0.00 O ATOM 505 CB HIS A 34 5.700 0.255 1.481 1.00 0.00 C ATOM 506 CG HIS A 34 6.188 -1.025 2.087 1.00 0.00 C ATOM 507 ND1 HIS A 34 7.517 -1.267 2.365 1.00 0.00 N ATOM 508 CD2 HIS A 34 5.516 -2.136 2.469 1.00 0.00 C ATOM 509 CE1 HIS A 34 7.641 -2.473 2.891 1.00 0.00 C ATOM 510 NE2 HIS A 34 6.442 -3.021 2.966 1.00 0.00 N ATOM 0 H HIS A 34 4.007 1.072 3.379 1.00 0.00 H new ATOM 0 HA HIS A 34 6.861 1.544 2.748 1.00 0.00 H new ATOM 0 HB2 HIS A 34 4.655 0.136 1.194 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.261 0.452 0.567 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.451 -2.297 2.397 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.566 -2.932 3.206 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.237 -3.950 3.333 1.00 0.00 H new ATOM 519 N ASN A 35 4.970 3.730 2.405 1.00 0.00 N ATOM 520 CA ASN A 35 4.576 5.003 1.812 1.00 0.00 C ATOM 521 C ASN A 35 3.717 4.781 0.571 1.00 0.00 C ATOM 522 O ASN A 35 3.790 5.546 -0.391 1.00 0.00 O ATOM 523 CB ASN A 35 5.814 5.825 1.450 1.00 0.00 C ATOM 524 CG ASN A 35 6.752 6.008 2.627 1.00 0.00 C ATOM 525 OD1 ASN A 35 6.447 6.736 3.571 1.00 0.00 O ATOM 526 ND2 ASN A 35 7.902 5.344 2.576 1.00 0.00 N ATOM 0 H ASN A 35 4.840 3.678 3.415 1.00 0.00 H new ATOM 0 HA ASN A 35 3.987 5.552 2.547 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.348 5.333 0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.503 6.803 1.082 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.573 5.427 3.340 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.114 4.751 1.773 1.00 0.00 H new ATOM 533 N TYR A 36 2.904 3.731 0.601 1.00 0.00 N ATOM 534 CA TYR A 36 2.032 3.408 -0.523 1.00 0.00 C ATOM 535 C TYR A 36 2.849 3.062 -1.764 1.00 0.00 C ATOM 536 O TYR A 36 2.589 3.571 -2.853 1.00 0.00 O ATOM 537 CB TYR A 36 1.098 4.581 -0.824 1.00 0.00 C ATOM 538 CG TYR A 36 0.162 4.917 0.315 1.00 0.00 C ATOM 539 CD1 TYR A 36 0.626 5.563 1.454 1.00 0.00 C ATOM 540 CD2 TYR A 36 -1.187 4.589 0.253 1.00 0.00 C ATOM 541 CE1 TYR A 36 -0.225 5.872 2.498 1.00 0.00 C ATOM 542 CE2 TYR A 36 -2.045 4.895 1.290 1.00 0.00 C ATOM 543 CZ TYR A 36 -1.560 5.536 2.411 1.00 0.00 C ATOM 544 OH TYR A 36 -2.412 5.841 3.448 1.00 0.00 O ATOM 0 H TYR A 36 2.830 3.089 1.390 1.00 0.00 H new ATOM 0 HA TYR A 36 1.435 2.538 -0.249 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.697 5.460 -1.062 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.509 4.347 -1.711 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.670 5.828 1.525 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.571 4.086 -0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.153 6.374 3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.091 4.634 1.224 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.317 5.538 3.228 1.00 0.00 H new ATOM 554 N ASN A 37 3.838 2.191 -1.590 1.00 0.00 N ATOM 555 CA ASN A 37 4.694 1.776 -2.695 1.00 0.00 C ATOM 556 C ASN A 37 4.236 0.436 -3.264 1.00 0.00 C ATOM 557 O ASN A 37 4.622 -0.624 -2.769 1.00 0.00 O ATOM 558 CB ASN A 37 6.148 1.676 -2.232 1.00 0.00 C ATOM 559 CG ASN A 37 6.896 2.986 -2.389 1.00 0.00 C ATOM 560 OD1 ASN A 37 6.438 3.896 -3.080 1.00 0.00 O ATOM 561 ND2 ASN A 37 8.054 3.086 -1.747 1.00 0.00 N ATOM 0 H ASN A 37 4.066 1.759 -0.695 1.00 0.00 H new ATOM 0 HA ASN A 37 4.621 2.528 -3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.173 1.369 -1.186 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.656 0.900 -2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.603 3.943 -1.815 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.395 2.306 -1.185 1.00 0.00 H new ATOM 568 N ILE A 38 3.413 0.491 -4.305 1.00 0.00 N ATOM 569 CA ILE A 38 2.904 -0.718 -4.941 1.00 0.00 C ATOM 570 C ILE A 38 3.994 -1.778 -5.058 1.00 0.00 C ATOM 571 O ILE A 38 3.712 -2.976 -5.061 1.00 0.00 O ATOM 572 CB ILE A 38 2.340 -0.421 -6.343 1.00 0.00 C ATOM 573 CG1 ILE A 38 1.612 -1.649 -6.894 1.00 0.00 C ATOM 574 CG2 ILE A 38 3.457 0.005 -7.284 1.00 0.00 C ATOM 575 CD1 ILE A 38 0.437 -2.085 -6.047 1.00 0.00 C ATOM 0 H ILE A 38 3.084 1.360 -4.726 1.00 0.00 H new ATOM 0 HA ILE A 38 2.101 -1.094 -4.307 1.00 0.00 H new ATOM 0 HB ILE A 38 1.625 0.398 -6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.261 -1.431 -7.903 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.319 -2.475 -6.973 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.043 0.211 -8.271 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.936 0.904 -6.896 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.194 -0.795 -7.360 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.031 -2.960 -6.497 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.784 -2.335 -5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.290 -1.275 -5.988 1.00 0.00 H new ATOM 587 N LEU A 39 5.241 -1.328 -5.152 1.00 0.00 N ATOM 588 CA LEU A 39 6.375 -2.238 -5.267 1.00 0.00 C ATOM 589 C LEU A 39 6.557 -3.046 -3.986 1.00 0.00 C ATOM 590 O LEU A 39 6.400 -4.266 -3.984 1.00 0.00 O ATOM 591 CB LEU A 39 7.653 -1.455 -5.576 1.00 0.00 C ATOM 592 CG LEU A 39 7.844 -1.029 -7.032 1.00 0.00 C ATOM 593 CD1 LEU A 39 7.232 0.342 -7.271 1.00 0.00 C ATOM 594 CD2 LEU A 39 9.321 -1.028 -7.397 1.00 0.00 C ATOM 0 H LEU A 39 5.492 -0.339 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 39 6.173 -2.930 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.667 -0.561 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.508 -2.063 -5.281 1.00 0.00 H new ATOM 0 HG LEU A 39 7.333 -1.748 -7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.377 0.629 -8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.165 0.308 -7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.714 1.074 -6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.439 -0.722 -8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.855 -0.331 -6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.729 -2.030 -7.265 1.00 0.00 H new ATOM 606 N GLN A 40 6.888 -2.356 -2.899 1.00 0.00 N ATOM 607 CA GLN A 40 7.089 -3.010 -1.612 1.00 0.00 C ATOM 608 C GLN A 40 5.826 -3.742 -1.169 1.00 0.00 C ATOM 609 O GLN A 40 5.895 -4.834 -0.605 1.00 0.00 O ATOM 610 CB GLN A 40 7.496 -1.984 -0.553 1.00 0.00 C ATOM 611 CG GLN A 40 8.821 -1.299 -0.847 1.00 0.00 C ATOM 612 CD GLN A 40 10.006 -2.233 -0.703 1.00 0.00 C ATOM 613 OE1 GLN A 40 10.275 -3.052 -1.582 1.00 0.00 O ATOM 614 NE2 GLN A 40 10.722 -2.116 0.409 1.00 0.00 N ATOM 0 H GLN A 40 7.022 -1.345 -2.884 1.00 0.00 H new ATOM 0 HA GLN A 40 7.889 -3.741 -1.726 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.715 -1.228 -0.473 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.560 -2.480 0.416 1.00 0.00 H new ATOM 0 HG2 GLN A 40 8.801 -0.897 -1.860 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.946 -0.453 -0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.463 -1.423 1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.531 -2.719 0.561 1.00 0.00 H new ATOM 623 N VAL A 41 4.674 -3.132 -1.428 1.00 0.00 N ATOM 624 CA VAL A 41 3.395 -3.726 -1.057 1.00 0.00 C ATOM 625 C VAL A 41 3.206 -5.084 -1.724 1.00 0.00 C ATOM 626 O VAL A 41 2.818 -6.057 -1.077 1.00 0.00 O ATOM 627 CB VAL A 41 2.218 -2.809 -1.441 1.00 0.00 C ATOM 628 CG1 VAL A 41 0.893 -3.454 -1.062 1.00 0.00 C ATOM 629 CG2 VAL A 41 2.367 -1.447 -0.780 1.00 0.00 C ATOM 0 H VAL A 41 4.600 -2.227 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 41 3.407 -3.855 0.025 1.00 0.00 H new ATOM 0 HB VAL A 41 2.228 -2.666 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.073 -2.792 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.787 -4.403 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.868 -3.629 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.527 -0.812 -1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.383 -1.568 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.298 -0.984 -1.107 1.00 0.00 H new ATOM 639 N VAL A 42 3.482 -5.143 -3.023 1.00 0.00 N ATOM 640 CA VAL A 42 3.344 -6.383 -3.778 1.00 0.00 C ATOM 641 C VAL A 42 4.469 -7.357 -3.447 1.00 0.00 C ATOM 642 O VAL A 42 4.222 -8.501 -3.065 1.00 0.00 O ATOM 643 CB VAL A 42 3.339 -6.118 -5.296 1.00 0.00 C ATOM 644 CG1 VAL A 42 3.567 -7.410 -6.064 1.00 0.00 C ATOM 645 CG2 VAL A 42 2.034 -5.460 -5.717 1.00 0.00 C ATOM 0 H VAL A 42 3.802 -4.347 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 42 2.390 -6.824 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 42 4.156 -5.435 -5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.560 -7.203 -7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.530 -7.835 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.774 -8.119 -5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.048 -5.280 -6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.199 -6.116 -5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.919 -4.512 -5.192 1.00 0.00 H new ATOM 655 N THR A 43 5.707 -6.895 -3.594 1.00 0.00 N ATOM 656 CA THR A 43 6.871 -7.725 -3.311 1.00 0.00 C ATOM 657 C THR A 43 6.690 -8.501 -2.011 1.00 0.00 C ATOM 658 O THR A 43 6.960 -9.700 -1.952 1.00 0.00 O ATOM 659 CB THR A 43 8.154 -6.878 -3.216 1.00 0.00 C ATOM 660 OG1 THR A 43 8.370 -6.176 -4.445 1.00 0.00 O ATOM 661 CG2 THR A 43 9.359 -7.755 -2.909 1.00 0.00 C ATOM 0 H THR A 43 5.929 -5.950 -3.908 1.00 0.00 H new ATOM 0 HA THR A 43 6.968 -8.427 -4.139 1.00 0.00 H new ATOM 0 HB THR A 43 8.030 -6.160 -2.405 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.760 -5.410 -4.496 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.254 -7.135 -2.847 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.204 -8.266 -1.959 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.483 -8.493 -3.702 1.00 0.00 H new ATOM 669 N GLU A 44 6.231 -7.809 -0.973 1.00 0.00 N ATOM 670 CA GLU A 44 6.014 -8.435 0.326 1.00 0.00 C ATOM 671 C GLU A 44 4.856 -9.428 0.265 1.00 0.00 C ATOM 672 O GLU A 44 5.028 -10.617 0.536 1.00 0.00 O ATOM 673 CB GLU A 44 5.733 -7.372 1.389 1.00 0.00 C ATOM 674 CG GLU A 44 5.721 -7.917 2.807 1.00 0.00 C ATOM 675 CD GLU A 44 7.114 -8.209 3.331 1.00 0.00 C ATOM 676 OE1 GLU A 44 7.995 -8.550 2.514 1.00 0.00 O ATOM 677 OE2 GLU A 44 7.323 -8.097 4.557 1.00 0.00 O ATOM 0 H GLU A 44 6.002 -6.816 -1.006 1.00 0.00 H new ATOM 0 HA GLU A 44 6.921 -8.977 0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.488 -6.589 1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.770 -6.907 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.233 -7.198 3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.127 -8.830 2.836 1.00 0.00 H new ATOM 684 N LEU A 45 3.677 -8.931 -0.093 1.00 0.00 N ATOM 685 CA LEU A 45 2.490 -9.773 -0.189 1.00 0.00 C ATOM 686 C LEU A 45 2.846 -11.158 -0.721 1.00 0.00 C ATOM 687 O LEU A 45 2.501 -12.174 -0.116 1.00 0.00 O ATOM 688 CB LEU A 45 1.448 -9.118 -1.098 1.00 0.00 C ATOM 689 CG LEU A 45 0.697 -7.924 -0.506 1.00 0.00 C ATOM 690 CD1 LEU A 45 0.106 -7.064 -1.612 1.00 0.00 C ATOM 691 CD2 LEU A 45 -0.393 -8.398 0.444 1.00 0.00 C ATOM 0 H LEU A 45 3.518 -7.950 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 45 2.072 -9.884 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.945 -8.792 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.718 -9.875 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 45 1.405 -7.317 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.425 -6.220 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.907 -6.695 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.588 -7.660 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.917 -7.536 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.099 -9.027 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.056 -8.971 1.255 1.00 0.00 H new ATOM 703 N LEU A 46 3.539 -11.191 -1.853 1.00 0.00 N ATOM 704 CA LEU A 46 3.944 -12.451 -2.466 1.00 0.00 C ATOM 705 C LEU A 46 4.769 -13.288 -1.494 1.00 0.00 C ATOM 706 O LEU A 46 4.621 -14.508 -1.431 1.00 0.00 O ATOM 707 CB LEU A 46 4.750 -12.186 -3.739 1.00 0.00 C ATOM 708 CG LEU A 46 3.936 -11.896 -5.000 1.00 0.00 C ATOM 709 CD1 LEU A 46 3.145 -10.607 -4.841 1.00 0.00 C ATOM 710 CD2 LEU A 46 4.846 -11.818 -6.217 1.00 0.00 C ATOM 0 H LEU A 46 3.833 -10.359 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 46 3.043 -13.008 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.413 -11.340 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.384 -13.052 -3.931 1.00 0.00 H new ATOM 0 HG LEU A 46 3.232 -12.714 -5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.572 -10.417 -5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.464 -10.700 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.831 -9.778 -4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.249 -11.611 -7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.575 -11.020 -6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.367 -12.767 -6.343 1.00 0.00 H new ATOM 722 N GLN A 47 5.637 -12.624 -0.737 1.00 0.00 N ATOM 723 CA GLN A 47 6.484 -13.308 0.233 1.00 0.00 C ATOM 724 C GLN A 47 5.651 -13.874 1.379 1.00 0.00 C ATOM 725 O GLN A 47 5.724 -15.065 1.684 1.00 0.00 O ATOM 726 CB GLN A 47 7.543 -12.350 0.781 1.00 0.00 C ATOM 727 CG GLN A 47 8.623 -11.995 -0.228 1.00 0.00 C ATOM 728 CD GLN A 47 9.680 -11.074 0.349 1.00 0.00 C ATOM 729 OE1 GLN A 47 10.604 -11.521 1.030 1.00 0.00 O ATOM 730 NE2 GLN A 47 9.552 -9.781 0.078 1.00 0.00 N ATOM 0 H GLN A 47 5.772 -11.614 -0.777 1.00 0.00 H new ATOM 0 HA GLN A 47 6.980 -14.135 -0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.055 -11.435 1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.010 -12.800 1.657 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.098 -12.910 -0.583 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.164 -11.518 -1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.771 -9.454 -0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.235 -9.114 0.438 1.00 0.00 H new ATOM 739 N LEU A 48 4.861 -13.014 2.011 1.00 0.00 N ATOM 740 CA LEU A 48 4.014 -13.428 3.124 1.00 0.00 C ATOM 741 C LEU A 48 3.271 -14.718 2.792 1.00 0.00 C ATOM 742 O LEU A 48 3.338 -15.694 3.538 1.00 0.00 O ATOM 743 CB LEU A 48 3.013 -12.323 3.468 1.00 0.00 C ATOM 744 CG LEU A 48 3.599 -10.925 3.667 1.00 0.00 C ATOM 745 CD1 LEU A 48 2.502 -9.931 4.016 1.00 0.00 C ATOM 746 CD2 LEU A 48 4.669 -10.944 4.750 1.00 0.00 C ATOM 0 H LEU A 48 4.789 -12.025 1.772 1.00 0.00 H new ATOM 0 HA LEU A 48 4.654 -13.611 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.269 -12.274 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.487 -12.608 4.379 1.00 0.00 H new ATOM 0 HG LEU A 48 4.062 -10.610 2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.938 -8.942 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.772 -9.896 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.009 -10.242 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.075 -9.941 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.230 -11.280 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.469 -11.625 4.459 1.00 0.00 H new ATOM 758 N SER A 49 2.563 -14.714 1.667 1.00 0.00 N ATOM 759 CA SER A 49 1.806 -15.884 1.236 1.00 0.00 C ATOM 760 C SER A 49 2.282 -16.366 -0.131 1.00 0.00 C ATOM 761 O SER A 49 2.074 -15.699 -1.143 1.00 0.00 O ATOM 762 CB SER A 49 0.312 -15.559 1.184 1.00 0.00 C ATOM 763 OG SER A 49 -0.436 -16.671 0.722 1.00 0.00 O ATOM 0 H SER A 49 2.498 -13.914 1.038 1.00 0.00 H new ATOM 0 HA SER A 49 1.972 -16.681 1.960 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.035 -15.270 2.176 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.145 -14.706 0.527 1.00 0.00 H new ATOM 0 HG SER A 49 -1.388 -16.438 0.699 1.00 0.00 H new ATOM 769 N GLY A 50 2.921 -17.532 -0.151 1.00 0.00 N ATOM 770 CA GLY A 50 3.417 -18.084 -1.398 1.00 0.00 C ATOM 771 C GLY A 50 2.333 -18.783 -2.194 1.00 0.00 C ATOM 772 O GLY A 50 1.140 -18.544 -2.003 1.00 0.00 O ATOM 0 H GLY A 50 3.104 -18.104 0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.847 -17.284 -2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.220 -18.790 -1.185 1.00 0.00 H new ATOM 776 N PRO A 51 2.745 -19.670 -3.112 1.00 0.00 N ATOM 777 CA PRO A 51 1.816 -20.423 -3.959 1.00 0.00 C ATOM 778 C PRO A 51 1.024 -21.461 -3.170 1.00 0.00 C ATOM 779 O PRO A 51 1.505 -22.566 -2.923 1.00 0.00 O ATOM 780 CB PRO A 51 2.736 -21.109 -4.972 1.00 0.00 C ATOM 781 CG PRO A 51 4.050 -21.217 -4.278 1.00 0.00 C ATOM 782 CD PRO A 51 4.151 -20.006 -3.393 1.00 0.00 C ATOM 0 HA PRO A 51 1.065 -19.778 -4.414 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.354 -22.091 -5.252 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.819 -20.526 -5.889 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.108 -22.134 -3.692 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.870 -21.245 -4.996 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.703 -20.222 -2.478 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.668 -19.186 -3.891 1.00 0.00 H new ATOM 790 N SER A 52 -0.193 -21.097 -2.778 1.00 0.00 N ATOM 791 CA SER A 52 -1.051 -21.995 -2.014 1.00 0.00 C ATOM 792 C SER A 52 -2.041 -22.709 -2.929 1.00 0.00 C ATOM 793 O SER A 52 -2.652 -22.093 -3.802 1.00 0.00 O ATOM 794 CB SER A 52 -1.806 -21.218 -0.934 1.00 0.00 C ATOM 795 OG SER A 52 -2.323 -22.092 0.055 1.00 0.00 O ATOM 0 H SER A 52 -0.607 -20.186 -2.977 1.00 0.00 H new ATOM 0 HA SER A 52 -0.418 -22.744 -1.537 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.138 -20.492 -0.470 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.621 -20.655 -1.389 1.00 0.00 H new ATOM 0 HG SER A 52 -2.800 -21.571 0.735 1.00 0.00 H new ATOM 801 N SER A 53 -2.193 -24.013 -2.723 1.00 0.00 N ATOM 802 CA SER A 53 -3.106 -24.814 -3.531 1.00 0.00 C ATOM 803 C SER A 53 -4.327 -25.232 -2.717 1.00 0.00 C ATOM 804 O SER A 53 -4.783 -26.371 -2.803 1.00 0.00 O ATOM 805 CB SER A 53 -2.390 -26.053 -4.071 1.00 0.00 C ATOM 806 OG SER A 53 -2.232 -27.032 -3.058 1.00 0.00 O ATOM 0 H SER A 53 -1.696 -24.538 -2.003 1.00 0.00 H new ATOM 0 HA SER A 53 -3.441 -24.203 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.958 -26.472 -4.901 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.413 -25.770 -4.464 1.00 0.00 H new ATOM 0 HG SER A 53 -3.108 -27.402 -2.821 1.00 0.00 H new ATOM 812 N GLY A 54 -4.852 -24.300 -1.928 1.00 0.00 N ATOM 813 CA GLY A 54 -6.016 -24.590 -1.110 1.00 0.00 C ATOM 814 C GLY A 54 -7.298 -24.623 -1.917 1.00 0.00 C ATOM 815 O GLY A 54 -7.896 -23.582 -2.187 1.00 0.00 O ATOM 0 H GLY A 54 -4.493 -23.349 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.878 -25.551 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.103 -23.837 -0.327 1.00 0.00 H new TER 819 GLY A 54