USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC H2A : A 90 HEC O2A : A 90 HEC CGA :(short bond) USER MOD Single : A 1 GLN : amide:sc= -0.0312 K(o=-0.031,f=-4.6!) USER MOD Single : A 7 TYR OH : rot 132:sc= 0.765 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -41:sc= 0.362 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 51:sc= 0.0924 USER MOD Single : A 26 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.47) USER MOD Single : A 27 ASN : amide:sc= 0.426 K(o=0.43,f=-1.5!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.583 F(o=-2,f=-0.58) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= -0.0401 (180deg=-0.0401) USER MOD Single : A 45 SER OG : rot 69:sc= 0.174 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.189 F(o=-1.9!,f=0.19) USER MOD Single : A 53 MET CE :methyl -166:sc= -0.329 (180deg=-1.03) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 84:sc= 0.623 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 174:sc= -0.301 (180deg=-0.366) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -143:sc= 0.438 (180deg=-1.59!) USER MOD Single : A 90 HEC O2D : rot 100:sc= 0.0708 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 2.933 -1.808 -15.517 1.00 10.00 N ATOM 2 CA ALA A -3 3.734 -2.364 -16.630 1.00 10.00 C ATOM 3 C ALA A -3 3.974 -3.856 -16.390 1.00 10.00 C ATOM 4 O ALA A -3 3.419 -4.684 -17.102 1.00 10.00 O ATOM 5 CB ALA A -3 5.031 -1.569 -16.834 1.00 10.00 C ATOM 0 H1 ALA A -3 2.770 -0.794 -15.680 1.00 10.00 H new ATOM 0 H2 ALA A -3 2.019 -2.302 -15.466 1.00 10.00 H new ATOM 0 H3 ALA A -3 3.446 -1.937 -14.622 1.00 10.00 H new ATOM 0 HA ALA A -3 3.180 -2.266 -17.564 1.00 10.00 H new ATOM 0 HB1 ALA A -3 5.597 -2.002 -17.659 1.00 10.00 H new ATOM 0 HB2 ALA A -3 4.789 -0.532 -17.065 1.00 10.00 H new ATOM 0 HB3 ALA A -3 5.629 -1.608 -15.923 1.00 10.00 H new ATOM 13 N ASP A -2 4.678 -4.168 -15.302 1.00 10.00 N ATOM 14 CA ASP A -2 5.120 -5.513 -14.993 1.00 10.00 C ATOM 15 C ASP A -2 5.497 -5.621 -13.502 1.00 10.00 C ATOM 16 O ASP A -2 6.315 -4.859 -12.986 1.00 10.00 O ATOM 17 CB ASP A -2 6.292 -5.837 -15.936 1.00 10.00 C ATOM 18 CG ASP A -2 7.455 -4.848 -15.867 1.00 10.00 C ATOM 19 OD1 ASP A -2 7.176 -3.625 -15.897 1.00 10.00 O ATOM 20 OD2 ASP A -2 8.602 -5.337 -15.821 1.00 10.00 O ATOM 0 H ASP A -2 4.958 -3.478 -14.605 1.00 10.00 H new ATOM 0 HA ASP A -2 4.328 -6.245 -15.152 1.00 10.00 H new ATOM 0 HB2 ASP A -2 6.665 -6.834 -15.701 1.00 10.00 H new ATOM 0 HB3 ASP A -2 5.919 -5.869 -16.960 1.00 10.00 H new ATOM 25 N LEU A -1 4.861 -6.550 -12.783 1.00 10.00 N ATOM 26 CA LEU A -1 5.189 -6.874 -11.395 1.00 10.00 C ATOM 27 C LEU A -1 6.489 -7.688 -11.361 1.00 10.00 C ATOM 28 O LEU A -1 6.510 -8.890 -11.116 1.00 10.00 O ATOM 29 CB LEU A -1 3.974 -7.548 -10.745 1.00 10.00 C ATOM 30 CG LEU A -1 4.234 -8.208 -9.374 1.00 10.00 C ATOM 31 CD1 LEU A -1 3.450 -7.538 -8.239 1.00 10.00 C ATOM 32 CD2 LEU A -1 3.878 -9.695 -9.488 1.00 10.00 C ATOM 0 H LEU A -1 4.092 -7.106 -13.156 1.00 10.00 H new ATOM 0 HA LEU A -1 5.390 -5.985 -10.797 1.00 10.00 H new ATOM 0 HB2 LEU A -1 3.187 -6.803 -10.627 1.00 10.00 H new ATOM 0 HB3 LEU A -1 3.593 -8.308 -11.428 1.00 10.00 H new ATOM 0 HG LEU A -1 5.286 -8.086 -9.117 1.00 10.00 H new ATOM 0 HD11 LEU A -1 3.670 -8.042 -7.298 1.00 10.00 H new ATOM 0 HD12 LEU A -1 3.740 -6.490 -8.166 1.00 10.00 H new ATOM 0 HD13 LEU A -1 2.382 -7.605 -8.445 1.00 10.00 H new ATOM 0 HD21 LEU A -1 4.053 -10.186 -8.531 1.00 10.00 H new ATOM 0 HD22 LEU A -1 2.828 -9.798 -9.762 1.00 10.00 H new ATOM 0 HD23 LEU A -1 4.499 -10.160 -10.253 1.00 10.00 H new ATOM 44 N GLN A 1 7.580 -6.975 -11.628 1.00 10.00 N ATOM 45 CA GLN A 1 8.946 -7.490 -11.652 1.00 10.00 C ATOM 46 C GLN A 1 9.740 -7.024 -10.433 1.00 10.00 C ATOM 47 O GLN A 1 10.679 -7.696 -10.013 1.00 10.00 O ATOM 48 CB GLN A 1 9.635 -6.985 -12.933 1.00 10.00 C ATOM 49 CG GLN A 1 9.976 -8.119 -13.906 1.00 10.00 C ATOM 50 CD GLN A 1 8.762 -8.805 -14.526 1.00 10.00 C ATOM 51 OE1 GLN A 1 7.618 -8.600 -14.147 1.00 10.00 O ATOM 52 NE2 GLN A 1 9.007 -9.671 -15.500 1.00 10.00 N ATOM 0 H GLN A 1 7.534 -5.979 -11.843 1.00 10.00 H new ATOM 0 HA GLN A 1 8.911 -8.579 -11.633 1.00 10.00 H new ATOM 0 HB2 GLN A 1 8.984 -6.267 -13.432 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.549 -6.455 -12.665 1.00 10.00 H new ATOM 0 HG2 GLN A 1 10.600 -7.720 -14.706 1.00 10.00 H new ATOM 0 HG3 GLN A 1 10.571 -8.866 -13.380 1.00 10.00 H new ATOM 0 HE21 GLN A 1 9.966 -9.834 -15.808 1.00 10.00 H new ATOM 0 HE22 GLN A 1 8.237 -10.174 -15.941 1.00 10.00 H new ATOM 61 N ASP A 2 9.347 -5.875 -9.884 1.00 10.00 N ATOM 62 CA ASP A 2 9.866 -5.365 -8.637 1.00 10.00 C ATOM 63 C ASP A 2 8.739 -4.671 -7.870 1.00 10.00 C ATOM 64 O ASP A 2 8.198 -3.647 -8.298 1.00 10.00 O ATOM 65 CB ASP A 2 11.049 -4.430 -8.902 1.00 10.00 C ATOM 66 CG ASP A 2 11.853 -4.224 -7.629 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.199 -4.105 -6.568 1.00 10.00 O ATOM 68 OD2 ASP A 2 13.094 -4.201 -7.742 1.00 10.00 O ATOM 0 H ASP A 2 8.645 -5.269 -10.310 1.00 10.00 H new ATOM 0 HA ASP A 2 10.238 -6.183 -8.021 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.687 -4.851 -9.679 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.687 -3.470 -9.271 1.00 10.00 H new ATOM 73 N ALA A 3 8.387 -5.229 -6.722 1.00 10.00 N ATOM 74 CA ALA A 3 7.529 -4.588 -5.748 1.00 10.00 C ATOM 75 C ALA A 3 7.860 -3.102 -5.494 1.00 10.00 C ATOM 76 O ALA A 3 6.938 -2.294 -5.348 1.00 10.00 O ATOM 77 CB ALA A 3 7.608 -5.406 -4.474 1.00 10.00 C ATOM 0 H ALA A 3 8.698 -6.158 -6.439 1.00 10.00 H new ATOM 0 HA ALA A 3 6.513 -4.565 -6.141 1.00 10.00 H new ATOM 0 HB1 ALA A 3 6.973 -4.955 -3.712 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.269 -6.423 -4.673 1.00 10.00 H new ATOM 0 HB3 ALA A 3 8.639 -5.430 -4.120 1.00 10.00 H new ATOM 83 N GLU A 4 9.148 -2.718 -5.495 1.00 10.00 N ATOM 84 CA GLU A 4 9.546 -1.310 -5.466 1.00 10.00 C ATOM 85 C GLU A 4 8.882 -0.543 -6.610 1.00 10.00 C ATOM 86 O GLU A 4 8.220 0.471 -6.399 1.00 10.00 O ATOM 87 CB GLU A 4 11.075 -1.158 -5.543 1.00 10.00 C ATOM 88 CG GLU A 4 11.493 0.326 -5.642 1.00 10.00 C ATOM 89 CD GLU A 4 13.001 0.548 -5.639 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.682 -0.100 -4.818 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.438 1.400 -6.442 1.00 10.00 O ATOM 0 H GLU A 4 9.931 -3.371 -5.516 1.00 10.00 H new ATOM 0 HA GLU A 4 9.212 -0.890 -4.517 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.531 -1.607 -4.661 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.452 -1.702 -6.409 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.076 0.750 -6.555 1.00 10.00 H new ATOM 0 HG3 GLU A 4 11.054 0.873 -4.807 1.00 10.00 H new ATOM 98 N ALA A 5 9.000 -1.066 -7.832 1.00 10.00 N ATOM 99 CA ALA A 5 8.499 -0.397 -9.024 1.00 10.00 C ATOM 100 C ALA A 5 6.974 -0.353 -9.001 1.00 10.00 C ATOM 101 O ALA A 5 6.373 0.641 -9.406 1.00 10.00 O ATOM 102 CB ALA A 5 9.011 -1.111 -10.275 1.00 10.00 C ATOM 0 H ALA A 5 9.446 -1.964 -8.018 1.00 10.00 H new ATOM 0 HA ALA A 5 8.865 0.629 -9.042 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.632 -0.605 -11.163 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.101 -1.093 -10.284 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.665 -2.145 -10.271 1.00 10.00 H new ATOM 108 N ILE A 6 6.340 -1.390 -8.448 1.00 10.00 N ATOM 109 CA ILE A 6 4.892 -1.400 -8.312 1.00 10.00 C ATOM 110 C ILE A 6 4.449 -0.317 -7.329 1.00 10.00 C ATOM 111 O ILE A 6 3.635 0.517 -7.717 1.00 10.00 O ATOM 112 CB ILE A 6 4.405 -2.804 -7.922 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.532 -3.777 -9.110 1.00 10.00 C ATOM 114 CG2 ILE A 6 2.972 -2.795 -7.368 1.00 10.00 C ATOM 115 CD1 ILE A 6 3.671 -3.437 -10.336 1.00 10.00 C ATOM 0 H ILE A 6 6.807 -2.224 -8.092 1.00 10.00 H new ATOM 0 HA ILE A 6 4.429 -1.164 -9.270 1.00 10.00 H new ATOM 0 HB ILE A 6 5.051 -3.153 -7.117 1.00 10.00 H new ATOM 0 HG12 ILE A 6 5.577 -3.811 -9.419 1.00 10.00 H new ATOM 0 HG13 ILE A 6 4.268 -4.778 -8.768 1.00 10.00 H new ATOM 0 HG21 ILE A 6 2.676 -3.811 -7.108 1.00 10.00 H new ATOM 0 HG22 ILE A 6 2.930 -2.166 -6.479 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.292 -2.402 -8.124 1.00 10.00 H new ATOM 0 HD11 ILE A 6 3.835 -4.183 -11.114 1.00 10.00 H new ATOM 0 HD12 ILE A 6 2.619 -3.434 -10.052 1.00 10.00 H new ATOM 0 HD13 ILE A 6 3.948 -2.453 -10.713 1.00 10.00 H new ATOM 127 N TYR A 7 5.007 -0.221 -6.114 1.00 10.00 N ATOM 128 CA TYR A 7 4.522 0.846 -5.232 1.00 10.00 C ATOM 129 C TYR A 7 4.909 2.231 -5.774 1.00 10.00 C ATOM 130 O TYR A 7 4.103 3.158 -5.765 1.00 10.00 O ATOM 131 CB TYR A 7 4.908 0.647 -3.754 1.00 10.00 C ATOM 132 CG TYR A 7 6.136 1.403 -3.303 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.064 2.787 -3.039 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.378 0.756 -3.292 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.243 3.545 -2.948 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.554 1.517 -3.210 1.00 10.00 C ATOM 137 CZ TYR A 7 8.488 2.909 -3.067 1.00 10.00 C ATOM 138 OH TYR A 7 9.628 3.650 -3.066 1.00 10.00 O ATOM 0 H TYR A 7 5.741 -0.822 -5.740 1.00 10.00 H new ATOM 0 HA TYR A 7 3.434 0.788 -5.239 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.066 0.949 -3.131 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.070 -0.416 -3.577 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.104 3.263 -2.907 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.430 -0.321 -3.346 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.192 4.612 -2.787 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.515 1.027 -3.257 1.00 10.00 H new ATOM 0 HH TYR A 7 10.271 3.260 -2.437 1.00 10.00 H new ATOM 148 N ASN A 8 6.128 2.354 -6.302 1.00 10.00 N ATOM 149 CA ASN A 8 6.709 3.591 -6.799 1.00 10.00 C ATOM 150 C ASN A 8 6.026 4.092 -8.080 1.00 10.00 C ATOM 151 O ASN A 8 6.111 5.273 -8.395 1.00 10.00 O ATOM 152 CB ASN A 8 8.213 3.357 -6.970 1.00 10.00 C ATOM 153 CG ASN A 8 9.019 4.614 -7.242 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.700 5.702 -6.782 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.113 4.467 -7.972 1.00 10.00 N ATOM 0 H ASN A 8 6.759 1.558 -6.396 1.00 10.00 H new ATOM 0 HA ASN A 8 6.546 4.395 -6.082 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.599 2.881 -6.068 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.368 2.657 -7.791 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.711 5.271 -8.162 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.358 3.550 -8.345 1.00 10.00 H new ATOM 162 N LYS A 9 5.364 3.212 -8.835 1.00 10.00 N ATOM 163 CA LYS A 9 4.515 3.569 -9.964 1.00 10.00 C ATOM 164 C LYS A 9 3.016 3.644 -9.609 1.00 10.00 C ATOM 165 O LYS A 9 2.271 4.338 -10.297 1.00 10.00 O ATOM 166 CB LYS A 9 4.842 2.601 -11.095 1.00 10.00 C ATOM 167 CG LYS A 9 4.397 3.095 -12.472 1.00 10.00 C ATOM 168 CD LYS A 9 5.219 2.312 -13.512 1.00 10.00 C ATOM 169 CE LYS A 9 4.335 1.664 -14.572 1.00 10.00 C ATOM 170 NZ LYS A 9 3.982 2.620 -15.645 1.00 10.00 N ATOM 0 H LYS A 9 5.408 2.206 -8.670 1.00 10.00 H new ATOM 0 HA LYS A 9 4.729 4.588 -10.286 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.918 2.425 -11.112 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.365 1.642 -10.891 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.330 2.927 -12.617 1.00 10.00 H new ATOM 0 HG3 LYS A 9 4.567 4.167 -12.572 1.00 10.00 H new ATOM 0 HD2 LYS A 9 5.928 2.985 -13.994 1.00 10.00 H new ATOM 0 HD3 LYS A 9 5.803 1.542 -13.007 1.00 10.00 H new ATOM 0 HE2 LYS A 9 4.852 0.807 -15.003 1.00 10.00 H new ATOM 0 HE3 LYS A 9 3.425 1.286 -14.106 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 3.380 2.146 -16.348 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 3.467 3.426 -15.236 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 4.850 2.961 -16.105 1.00 10.00 H new ATOM 184 N ALA A 10 2.561 2.904 -8.586 1.00 10.00 N ATOM 185 CA ALA A 10 1.151 2.797 -8.186 1.00 10.00 C ATOM 186 C ALA A 10 0.816 3.625 -6.935 1.00 10.00 C ATOM 187 O ALA A 10 0.111 4.632 -7.022 1.00 10.00 O ATOM 188 CB ALA A 10 0.770 1.327 -7.981 1.00 10.00 C ATOM 0 H ALA A 10 3.182 2.348 -7.998 1.00 10.00 H new ATOM 0 HA ALA A 10 0.558 3.216 -8.999 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.277 1.260 -7.685 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.919 0.779 -8.911 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.396 0.894 -7.201 1.00 10.00 H new ATOM 194 N CYS A 11 1.335 3.243 -5.763 1.00 10.00 N ATOM 195 CA CYS A 11 1.094 3.897 -4.471 1.00 10.00 C ATOM 196 C CYS A 11 1.915 5.205 -4.354 1.00 10.00 C ATOM 197 O CYS A 11 2.504 5.525 -3.324 1.00 10.00 O ATOM 198 CB CYS A 11 1.387 2.939 -3.326 1.00 10.00 C ATOM 199 SG CYS A 11 1.407 1.165 -3.721 1.00 10.00 S ATOM 0 H CYS A 11 1.958 2.439 -5.685 1.00 10.00 H new ATOM 0 HA CYS A 11 0.041 4.171 -4.409 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.356 3.203 -2.903 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.643 3.104 -2.547 1.00 10.00 H new ATOM 204 N THR A 12 1.960 5.980 -5.438 1.00 10.00 N ATOM 205 CA THR A 12 2.928 7.052 -5.651 1.00 10.00 C ATOM 206 C THR A 12 2.287 8.391 -5.991 1.00 10.00 C ATOM 207 O THR A 12 2.976 9.387 -6.198 1.00 10.00 O ATOM 208 CB THR A 12 3.899 6.606 -6.744 1.00 10.00 C ATOM 209 OG1 THR A 12 5.020 7.445 -6.731 1.00 10.00 O ATOM 210 CG2 THR A 12 3.245 6.651 -8.133 1.00 10.00 C ATOM 0 H THR A 12 1.305 5.875 -6.213 1.00 10.00 H new ATOM 0 HA THR A 12 3.458 7.226 -4.715 1.00 10.00 H new ATOM 0 HB THR A 12 4.191 5.575 -6.542 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.734 8.371 -6.586 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.965 6.327 -8.885 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.380 5.988 -8.150 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.925 7.670 -8.352 1.00 10.00 H new ATOM 218 N VAL A 13 0.960 8.399 -6.054 1.00 10.00 N ATOM 219 CA VAL A 13 0.153 9.530 -6.468 1.00 10.00 C ATOM 220 C VAL A 13 -0.473 10.165 -5.222 1.00 10.00 C ATOM 221 O VAL A 13 -0.325 11.352 -4.948 1.00 10.00 O ATOM 222 CB VAL A 13 -0.910 8.999 -7.445 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.673 10.184 -8.020 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.290 8.192 -8.596 1.00 10.00 C ATOM 0 H VAL A 13 0.400 7.583 -5.807 1.00 10.00 H new ATOM 0 HA VAL A 13 0.740 10.299 -6.970 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.573 8.330 -6.896 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.432 9.825 -8.716 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.154 10.734 -7.211 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -0.981 10.842 -8.546 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.080 7.838 -9.259 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.397 8.826 -9.156 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.253 7.338 -8.191 1.00 10.00 H new ATOM 234 N CYS A 14 -1.141 9.315 -4.446 1.00 10.00 N ATOM 235 CA CYS A 14 -1.765 9.625 -3.176 1.00 10.00 C ATOM 236 C CYS A 14 -0.716 9.635 -2.060 1.00 10.00 C ATOM 237 O CYS A 14 -0.426 10.679 -1.487 1.00 10.00 O ATOM 238 CB CYS A 14 -2.798 8.557 -2.952 1.00 10.00 C ATOM 239 SG CYS A 14 -4.341 8.976 -3.803 1.00 10.00 S ATOM 0 H CYS A 14 -1.265 8.337 -4.708 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.226 10.613 -3.177 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.424 7.600 -3.315 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -2.985 8.442 -1.884 1.00 10.00 H new ATOM 244 N HIS A 15 -0.126 8.474 -1.768 1.00 10.00 N ATOM 245 CA HIS A 15 0.640 8.214 -0.550 1.00 10.00 C ATOM 246 C HIS A 15 2.017 8.904 -0.517 1.00 10.00 C ATOM 247 O HIS A 15 2.642 9.022 0.539 1.00 10.00 O ATOM 248 CB HIS A 15 0.844 6.696 -0.471 1.00 10.00 C ATOM 249 CG HIS A 15 -0.318 5.879 0.025 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.236 5.048 1.107 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.469 5.565 -0.649 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.326 4.267 1.111 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.119 4.538 0.058 1.00 10.00 N ATOM 0 H HIS A 15 -0.170 7.667 -2.390 1.00 10.00 H new ATOM 0 HA HIS A 15 0.081 8.618 0.294 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.111 6.337 -1.465 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.698 6.502 0.178 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.521 5.026 1.791 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.816 6.025 -1.562 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.539 3.519 1.860 1.00 10.00 H new ATOM 261 N SER A 16 2.495 9.369 -1.674 1.00 10.00 N ATOM 262 CA SER A 16 3.804 10.008 -1.790 1.00 10.00 C ATOM 263 C SER A 16 3.807 11.373 -1.096 1.00 10.00 C ATOM 264 O SER A 16 4.753 11.727 -0.397 1.00 10.00 O ATOM 265 CB SER A 16 4.197 10.104 -3.268 1.00 10.00 C ATOM 266 OG SER A 16 5.583 10.352 -3.387 1.00 10.00 O ATOM 0 H SER A 16 1.984 9.312 -2.555 1.00 10.00 H new ATOM 0 HA SER A 16 4.553 9.401 -1.282 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.940 9.177 -3.782 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.634 10.903 -3.751 1.00 10.00 H new ATOM 0 HG SER A 16 5.825 10.410 -4.335 1.00 10.00 H new ATOM 272 N MET A 17 2.711 12.121 -1.277 1.00 10.00 N ATOM 273 CA MET A 17 2.525 13.472 -0.752 1.00 10.00 C ATOM 274 C MET A 17 1.351 13.573 0.240 1.00 10.00 C ATOM 275 O MET A 17 1.414 14.334 1.203 1.00 10.00 O ATOM 276 CB MET A 17 2.335 14.424 -1.944 1.00 10.00 C ATOM 277 CG MET A 17 3.018 15.769 -1.674 1.00 10.00 C ATOM 278 SD MET A 17 4.829 15.717 -1.746 1.00 10.00 S ATOM 279 CE MET A 17 5.215 17.407 -1.263 1.00 10.00 C ATOM 0 H MET A 17 1.907 11.789 -1.810 1.00 10.00 H new ATOM 0 HA MET A 17 3.410 13.752 -0.180 1.00 10.00 H new ATOM 0 HB2 MET A 17 2.750 13.974 -2.846 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.272 14.580 -2.126 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.658 16.498 -2.401 1.00 10.00 H new ATOM 0 HG3 MET A 17 2.716 16.125 -0.689 1.00 10.00 H new ATOM 0 HE1 MET A 17 6.296 17.546 -1.256 1.00 10.00 H new ATOM 0 HE2 MET A 17 4.765 18.100 -1.973 1.00 10.00 H new ATOM 0 HE3 MET A 17 4.818 17.600 -0.266 1.00 10.00 H new ATOM 289 N GLY A 18 0.277 12.816 -0.006 1.00 10.00 N ATOM 290 CA GLY A 18 -0.931 12.773 0.818 1.00 10.00 C ATOM 291 C GLY A 18 -2.044 13.710 0.330 1.00 10.00 C ATOM 292 O GLY A 18 -2.537 14.537 1.090 1.00 10.00 O ATOM 0 H GLY A 18 0.225 12.195 -0.814 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -1.311 11.751 0.837 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -0.670 13.036 1.843 1.00 10.00 H new ATOM 296 N VAL A 19 -2.476 13.564 -0.930 1.00 10.00 N ATOM 297 CA VAL A 19 -3.476 14.450 -1.548 1.00 10.00 C ATOM 298 C VAL A 19 -4.901 14.123 -1.116 1.00 10.00 C ATOM 299 O VAL A 19 -5.611 14.961 -0.568 1.00 10.00 O ATOM 300 CB VAL A 19 -3.337 14.463 -3.083 1.00 10.00 C ATOM 301 CG1 VAL A 19 -4.382 15.385 -3.731 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.942 14.945 -3.501 1.00 10.00 C ATOM 0 H VAL A 19 -2.142 12.827 -1.552 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.270 15.456 -1.183 1.00 10.00 H new ATOM 0 HB VAL A 19 -3.494 13.440 -3.424 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -4.257 15.372 -4.814 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -5.383 15.036 -3.477 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -4.248 16.402 -3.363 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.868 14.946 -4.588 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.778 15.955 -3.126 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -1.187 14.277 -3.086 1.00 10.00 H new ATOM 312 N ALA A 20 -5.317 12.876 -1.303 1.00 10.00 N ATOM 313 CA ALA A 20 -6.656 12.409 -0.962 1.00 10.00 C ATOM 314 C ALA A 20 -6.758 12.043 0.525 1.00 10.00 C ATOM 315 O ALA A 20 -7.447 11.102 0.907 1.00 10.00 O ATOM 316 CB ALA A 20 -6.968 11.233 -1.876 1.00 10.00 C ATOM 0 H ALA A 20 -4.724 12.149 -1.702 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.393 13.197 -1.115 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.965 10.853 -1.652 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.929 11.559 -2.915 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.234 10.443 -1.716 1.00 10.00 H new ATOM 322 N GLY A 21 -6.006 12.768 1.357 1.00 10.00 N ATOM 323 CA GLY A 21 -5.802 12.441 2.767 1.00 10.00 C ATOM 324 C GLY A 21 -5.109 11.085 2.944 1.00 10.00 C ATOM 325 O GLY A 21 -5.355 10.369 3.909 1.00 10.00 O ATOM 0 H GLY A 21 -5.515 13.612 1.063 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.202 13.220 3.237 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.764 12.427 3.279 1.00 10.00 H new ATOM 329 N ALA A 22 -4.240 10.732 1.992 1.00 10.00 N ATOM 330 CA ALA A 22 -3.493 9.484 2.005 1.00 10.00 C ATOM 331 C ALA A 22 -2.332 9.522 3.020 1.00 10.00 C ATOM 332 O ALA A 22 -1.758 10.583 3.271 1.00 10.00 O ATOM 333 CB ALA A 22 -3.030 9.180 0.579 1.00 10.00 C ATOM 0 H ALA A 22 -4.037 11.318 1.182 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.137 8.671 2.341 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.468 8.246 0.570 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.898 9.087 -0.073 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.394 9.990 0.223 1.00 10.00 H new ATOM 339 N PRO A 23 -1.993 8.370 3.614 1.00 10.00 N ATOM 340 CA PRO A 23 -0.934 8.230 4.608 1.00 10.00 C ATOM 341 C PRO A 23 0.441 8.375 3.950 1.00 10.00 C ATOM 342 O PRO A 23 0.589 8.124 2.756 1.00 10.00 O ATOM 343 CB PRO A 23 -1.141 6.827 5.166 1.00 10.00 C ATOM 344 CG PRO A 23 -1.722 6.055 3.999 1.00 10.00 C ATOM 345 CD PRO A 23 -2.592 7.084 3.307 1.00 10.00 C ATOM 0 HA PRO A 23 -0.972 8.992 5.386 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.203 6.390 5.507 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -1.819 6.832 6.019 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -0.943 5.676 3.338 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.303 5.195 4.333 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.622 6.912 2.231 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.620 7.034 3.667 1.00 10.00 H new ATOM 353 N LYS A 24 1.459 8.778 4.715 1.00 10.00 N ATOM 354 CA LYS A 24 2.762 9.095 4.123 1.00 10.00 C ATOM 355 C LYS A 24 3.566 7.816 3.831 1.00 10.00 C ATOM 356 O LYS A 24 3.651 6.924 4.683 1.00 10.00 O ATOM 357 CB LYS A 24 3.557 10.056 5.024 1.00 10.00 C ATOM 358 CG LYS A 24 2.835 11.402 5.239 1.00 10.00 C ATOM 359 CD LYS A 24 3.382 12.143 6.477 1.00 10.00 C ATOM 360 CE LYS A 24 2.282 12.891 7.252 1.00 10.00 C ATOM 361 NZ LYS A 24 2.050 14.250 6.719 1.00 10.00 N ATOM 0 H LYS A 24 1.410 8.891 5.727 1.00 10.00 H new ATOM 0 HA LYS A 24 2.583 9.598 3.172 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.730 9.582 5.990 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.535 10.240 4.579 1.00 10.00 H new ATOM 0 HG2 LYS A 24 2.958 12.028 4.355 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.766 11.228 5.360 1.00 10.00 H new ATOM 0 HD2 LYS A 24 3.866 11.426 7.141 1.00 10.00 H new ATOM 0 HD3 LYS A 24 4.147 12.853 6.163 1.00 10.00 H new ATOM 0 HE2 LYS A 24 1.354 12.321 7.205 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.562 12.958 8.303 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 1.302 14.716 7.271 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 2.927 14.804 6.788 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 1.757 14.187 5.723 1.00 10.00 H new ATOM 375 N SER A 25 4.204 7.758 2.651 1.00 10.00 N ATOM 376 CA SER A 25 5.189 6.742 2.256 1.00 10.00 C ATOM 377 C SER A 25 6.125 6.282 3.386 1.00 10.00 C ATOM 378 O SER A 25 6.494 5.113 3.434 1.00 10.00 O ATOM 379 CB SER A 25 6.029 7.264 1.083 1.00 10.00 C ATOM 380 OG SER A 25 5.244 7.264 -0.092 1.00 10.00 O ATOM 0 H SER A 25 4.040 8.447 1.917 1.00 10.00 H new ATOM 0 HA SER A 25 4.608 5.865 1.970 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.385 8.272 1.296 1.00 10.00 H new ATOM 0 HB3 SER A 25 6.910 6.638 0.945 1.00 10.00 H new ATOM 0 HG SER A 25 4.396 7.724 0.081 1.00 10.00 H new ATOM 386 N HIS A 26 6.511 7.197 4.281 1.00 10.00 N ATOM 387 CA HIS A 26 7.240 6.894 5.504 1.00 10.00 C ATOM 388 C HIS A 26 6.568 7.605 6.689 1.00 10.00 C ATOM 389 O HIS A 26 6.483 8.828 6.742 1.00 10.00 O ATOM 390 CB HIS A 26 8.722 7.264 5.351 1.00 10.00 C ATOM 391 CG HIS A 26 8.978 8.737 5.146 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.201 9.661 6.143 1.00 10.00 N ATOM 393 CD2 HIS A 26 8.913 9.416 3.960 1.00 10.00 C ATOM 394 CE1 HIS A 26 9.271 10.871 5.563 1.00 10.00 C ATOM 395 NE2 HIS A 26 9.103 10.773 4.235 1.00 10.00 N ATOM 0 H HIS A 26 6.317 8.192 4.167 1.00 10.00 H new ATOM 0 HA HIS A 26 7.208 5.823 5.702 1.00 10.00 H new ATOM 0 HB2 HIS A 26 9.260 6.934 6.240 1.00 10.00 H new ATOM 0 HB3 HIS A 26 9.136 6.714 4.506 1.00 10.00 H new ATOM 0 HD2 HIS A 26 8.745 8.981 2.986 1.00 10.00 H new ATOM 0 HE1 HIS A 26 9.440 11.797 6.093 1.00 10.00 H new ATOM 0 HE2 HIS A 26 9.112 11.538 3.560 1.00 10.00 H new ATOM 403 N ASN A 27 6.070 6.823 7.642 1.00 10.00 N ATOM 404 CA ASN A 27 5.566 7.275 8.926 1.00 10.00 C ATOM 405 C ASN A 27 5.738 6.101 9.903 1.00 10.00 C ATOM 406 O ASN A 27 5.856 4.959 9.460 1.00 10.00 O ATOM 407 CB ASN A 27 4.073 7.609 8.780 1.00 10.00 C ATOM 408 CG ASN A 27 3.694 9.082 8.740 1.00 10.00 C ATOM 409 OD1 ASN A 27 4.418 9.946 9.213 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.508 9.394 8.229 1.00 10.00 N ATOM 0 H ASN A 27 6.006 5.811 7.531 1.00 10.00 H new ATOM 0 HA ASN A 27 6.094 8.160 9.281 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.709 7.141 7.865 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.540 7.145 9.609 1.00 10.00 H new ATOM 0 HD21 ASN A 27 2.192 10.364 8.228 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.913 8.664 7.837 1.00 10.00 H new ATOM 417 N THR A 28 5.688 6.357 11.212 1.00 10.00 N ATOM 418 CA THR A 28 5.594 5.277 12.205 1.00 10.00 C ATOM 419 C THR A 28 4.222 5.257 12.891 1.00 10.00 C ATOM 420 O THR A 28 3.624 4.197 13.056 1.00 10.00 O ATOM 421 CB THR A 28 6.711 5.482 13.241 1.00 10.00 C ATOM 422 OG1 THR A 28 7.965 5.469 12.597 1.00 10.00 O ATOM 423 CG2 THR A 28 6.731 4.402 14.321 1.00 10.00 C ATOM 0 H THR A 28 5.711 7.296 11.610 1.00 10.00 H new ATOM 0 HA THR A 28 5.711 4.316 11.704 1.00 10.00 H new ATOM 0 HB THR A 28 6.512 6.441 13.719 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.675 5.602 13.260 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.542 4.603 15.022 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.781 4.404 14.855 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.885 3.427 13.858 1.00 10.00 H new ATOM 431 N ALA A 29 3.634 6.433 13.141 1.00 10.00 N ATOM 432 CA ALA A 29 2.370 6.559 13.868 1.00 10.00 C ATOM 433 C ALA A 29 1.142 6.293 12.988 1.00 10.00 C ATOM 434 O ALA A 29 0.090 5.900 13.476 1.00 10.00 O ATOM 435 CB ALA A 29 2.299 7.956 14.477 1.00 10.00 C ATOM 0 H ALA A 29 4.025 7.326 12.842 1.00 10.00 H new ATOM 0 HA ALA A 29 2.351 5.797 14.647 1.00 10.00 H new ATOM 0 HB1 ALA A 29 1.362 8.068 15.023 1.00 10.00 H new ATOM 0 HB2 ALA A 29 3.136 8.098 15.160 1.00 10.00 H new ATOM 0 HB3 ALA A 29 2.347 8.702 13.683 1.00 10.00 H new ATOM 441 N ASP A 30 1.291 6.503 11.680 1.00 10.00 N ATOM 442 CA ASP A 30 0.294 6.241 10.653 1.00 10.00 C ATOM 443 C ASP A 30 0.278 4.734 10.328 1.00 10.00 C ATOM 444 O ASP A 30 -0.739 4.158 9.938 1.00 10.00 O ATOM 445 CB ASP A 30 0.761 7.129 9.490 1.00 10.00 C ATOM 446 CG ASP A 30 -0.075 7.226 8.251 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.013 6.419 8.124 1.00 10.00 O ATOM 448 OD2 ASP A 30 0.396 7.972 7.364 1.00 10.00 O ATOM 0 H ASP A 30 2.156 6.880 11.293 1.00 10.00 H new ATOM 0 HA ASP A 30 -0.735 6.472 10.929 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.884 8.139 9.880 1.00 10.00 H new ATOM 0 HB3 ASP A 30 1.749 6.780 9.190 1.00 10.00 H new ATOM 453 N TRP A 31 1.434 4.076 10.444 1.00 10.00 N ATOM 454 CA TRP A 31 1.610 2.649 10.190 1.00 10.00 C ATOM 455 C TRP A 31 1.234 1.807 11.432 1.00 10.00 C ATOM 456 O TRP A 31 0.623 0.745 11.285 1.00 10.00 O ATOM 457 CB TRP A 31 3.030 2.432 9.636 1.00 10.00 C ATOM 458 CG TRP A 31 3.261 3.012 8.258 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.387 4.327 7.972 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.379 2.345 6.963 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.477 4.542 6.617 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.474 3.350 5.947 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.400 1.000 6.531 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.526 3.050 4.588 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.457 0.688 5.160 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.460 1.711 4.201 1.00 10.00 C ATOM 0 H TRP A 31 2.298 4.538 10.726 1.00 10.00 H new ATOM 0 HA TRP A 31 0.920 2.288 9.428 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.748 2.874 10.327 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.235 1.362 9.605 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.414 5.111 8.715 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.537 5.459 6.175 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.372 0.204 7.260 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.615 3.835 3.851 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.499 -0.344 4.845 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.411 1.460 3.152 1.00 10.00 H new ATOM 477 N GLU A 32 1.498 2.313 12.650 1.00 10.00 N ATOM 478 CA GLU A 32 1.071 1.687 13.910 1.00 10.00 C ATOM 479 C GLU A 32 -0.374 1.125 13.889 1.00 10.00 C ATOM 480 O GLU A 32 -0.550 -0.085 14.037 1.00 10.00 O ATOM 481 CB GLU A 32 1.309 2.639 15.103 1.00 10.00 C ATOM 482 CG GLU A 32 1.936 1.937 16.320 1.00 10.00 C ATOM 483 CD GLU A 32 1.316 2.404 17.632 1.00 10.00 C ATOM 484 OE1 GLU A 32 1.710 3.497 18.089 1.00 10.00 O ATOM 485 OE2 GLU A 32 0.442 1.664 18.133 1.00 10.00 O ATOM 0 H GLU A 32 2.020 3.179 12.786 1.00 10.00 H new ATOM 0 HA GLU A 32 1.702 0.807 14.037 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.960 3.454 14.786 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.360 3.086 15.398 1.00 10.00 H new ATOM 0 HG2 GLU A 32 1.808 0.859 16.222 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.009 2.130 16.337 1.00 10.00 H new ATOM 492 N PRO A 33 -1.422 1.938 13.631 1.00 10.00 N ATOM 493 CA PRO A 33 -2.811 1.480 13.621 1.00 10.00 C ATOM 494 C PRO A 33 -3.184 0.635 12.391 1.00 10.00 C ATOM 495 O PRO A 33 -4.355 0.304 12.215 1.00 10.00 O ATOM 496 CB PRO A 33 -3.650 2.763 13.686 1.00 10.00 C ATOM 497 CG PRO A 33 -2.787 3.767 12.928 1.00 10.00 C ATOM 498 CD PRO A 33 -1.384 3.373 13.385 1.00 10.00 C ATOM 0 HA PRO A 33 -2.990 0.809 14.461 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.626 2.633 13.218 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.829 3.078 14.714 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.907 3.677 11.848 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.030 4.797 13.191 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.644 3.617 12.623 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.103 3.915 14.288 1.00 10.00 H new ATOM 506 N ARG A 34 -2.221 0.277 11.533 1.00 10.00 N ATOM 507 CA ARG A 34 -2.405 -0.694 10.459 1.00 10.00 C ATOM 508 C ARG A 34 -1.723 -2.013 10.865 1.00 10.00 C ATOM 509 O ARG A 34 -2.336 -3.080 10.792 1.00 10.00 O ATOM 510 CB ARG A 34 -1.937 -0.102 9.115 1.00 10.00 C ATOM 511 CG ARG A 34 -2.997 0.820 8.480 1.00 10.00 C ATOM 512 CD ARG A 34 -3.130 2.200 9.145 1.00 10.00 C ATOM 513 NE ARG A 34 -4.551 2.593 9.305 1.00 10.00 N ATOM 514 CZ ARG A 34 -5.273 3.301 8.424 1.00 10.00 C ATOM 515 NH1 ARG A 34 -4.734 3.694 7.291 1.00 10.00 N ATOM 516 NH2 ARG A 34 -6.541 3.623 8.639 1.00 10.00 N ATOM 0 H ARG A 34 -1.278 0.663 11.570 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.459 -0.926 10.305 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -1.016 0.460 9.269 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.704 -0.913 8.425 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.752 0.961 7.427 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -3.964 0.319 8.518 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -2.644 2.183 10.121 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -2.611 2.946 8.544 1.00 10.00 H new ATOM 0 HE ARG A 34 -5.021 2.299 10.161 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -3.764 3.461 7.080 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -5.286 4.232 6.623 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -7.002 3.331 9.500 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -7.055 4.163 7.943 1.00 10.00 H new ATOM 530 N LEU A 35 -0.525 -1.938 11.454 1.00 10.00 N ATOM 531 CA LEU A 35 0.120 -3.042 12.187 1.00 10.00 C ATOM 532 C LEU A 35 -0.598 -3.477 13.485 1.00 10.00 C ATOM 533 O LEU A 35 0.004 -4.128 14.334 1.00 10.00 O ATOM 534 CB LEU A 35 1.576 -2.632 12.481 1.00 10.00 C ATOM 535 CG LEU A 35 2.536 -3.145 11.399 1.00 10.00 C ATOM 536 CD1 LEU A 35 3.432 -1.997 10.920 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.346 -4.327 11.945 1.00 10.00 C ATOM 0 H LEU A 35 0.040 -1.089 11.436 1.00 10.00 H new ATOM 0 HA LEU A 35 0.069 -3.923 11.547 1.00 10.00 H new ATOM 0 HB2 LEU A 35 1.643 -1.546 12.543 1.00 10.00 H new ATOM 0 HB3 LEU A 35 1.877 -3.026 13.452 1.00 10.00 H new ATOM 0 HG LEU A 35 1.975 -3.505 10.537 1.00 10.00 H new ATOM 0 HD11 LEU A 35 4.113 -2.363 10.152 1.00 10.00 H new ATOM 0 HD12 LEU A 35 2.813 -1.201 10.507 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.008 -1.610 11.761 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.027 -4.689 11.174 1.00 10.00 H new ATOM 0 HD22 LEU A 35 3.920 -4.004 12.814 1.00 10.00 H new ATOM 0 HD23 LEU A 35 2.668 -5.129 12.236 1.00 10.00 H new ATOM 549 N ALA A 36 -1.896 -3.195 13.628 1.00 10.00 N ATOM 550 CA ALA A 36 -2.680 -3.579 14.796 1.00 10.00 C ATOM 551 C ALA A 36 -3.305 -4.957 14.577 1.00 10.00 C ATOM 552 O ALA A 36 -3.397 -5.760 15.500 1.00 10.00 O ATOM 553 CB ALA A 36 -3.747 -2.514 15.055 1.00 10.00 C ATOM 0 H ALA A 36 -2.434 -2.688 12.926 1.00 10.00 H new ATOM 0 HA ALA A 36 -2.036 -3.645 15.673 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -4.337 -2.795 15.927 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -3.265 -1.553 15.237 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -4.400 -2.434 14.186 1.00 10.00 H new ATOM 559 N LYS A 37 -3.726 -5.230 13.336 1.00 10.00 N ATOM 560 CA LYS A 37 -4.222 -6.544 12.955 1.00 10.00 C ATOM 561 C LYS A 37 -3.061 -7.540 12.772 1.00 10.00 C ATOM 562 O LYS A 37 -3.049 -8.594 13.400 1.00 10.00 O ATOM 563 CB LYS A 37 -5.074 -6.434 11.690 1.00 10.00 C ATOM 564 CG LYS A 37 -6.336 -5.575 11.840 1.00 10.00 C ATOM 565 CD LYS A 37 -7.290 -5.939 10.688 1.00 10.00 C ATOM 566 CE LYS A 37 -8.231 -4.794 10.278 1.00 10.00 C ATOM 567 NZ LYS A 37 -9.654 -5.185 10.367 1.00 10.00 N ATOM 0 H LYS A 37 -3.730 -4.547 12.578 1.00 10.00 H new ATOM 0 HA LYS A 37 -4.852 -6.929 13.757 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -4.461 -6.018 10.890 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -5.368 -7.436 11.378 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -6.812 -5.759 12.803 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -6.083 -4.515 11.807 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.701 -6.241 9.822 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -7.888 -6.801 10.982 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -8.052 -3.931 10.919 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -8.003 -4.486 9.258 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -10.253 -4.384 10.082 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -9.832 -5.992 9.736 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -9.879 -5.454 11.346 1.00 10.00 H new ATOM 581 N GLY A 38 -2.087 -7.192 11.917 1.00 10.00 N ATOM 582 CA GLY A 38 -0.805 -7.903 11.812 1.00 10.00 C ATOM 583 C GLY A 38 -0.326 -8.158 10.377 1.00 10.00 C ATOM 584 O GLY A 38 0.047 -9.282 10.059 1.00 10.00 O ATOM 0 H GLY A 38 -2.168 -6.404 11.275 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -0.043 -7.328 12.338 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -0.893 -8.860 12.326 1.00 10.00 H new ATOM 588 N VAL A 39 -0.295 -7.119 9.526 1.00 10.00 N ATOM 589 CA VAL A 39 0.129 -7.196 8.124 1.00 10.00 C ATOM 590 C VAL A 39 -0.775 -8.128 7.302 1.00 10.00 C ATOM 591 O VAL A 39 -1.637 -8.825 7.830 1.00 10.00 O ATOM 592 CB VAL A 39 1.626 -7.560 8.020 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.272 -7.069 6.711 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.454 -7.021 9.200 1.00 10.00 C ATOM 0 H VAL A 39 -0.572 -6.178 9.805 1.00 10.00 H new ATOM 0 HA VAL A 39 0.014 -6.207 7.681 1.00 10.00 H new ATOM 0 HB VAL A 39 1.640 -8.650 8.039 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.324 -7.354 6.695 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.761 -7.521 5.861 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.189 -5.984 6.649 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.498 -7.308 9.073 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.377 -5.934 9.232 1.00 10.00 H new ATOM 0 HG23 VAL A 39 2.074 -7.439 10.132 1.00 10.00 H new ATOM 604 N ASP A 40 -0.673 -8.041 5.979 1.00 10.00 N ATOM 605 CA ASP A 40 -1.438 -8.831 5.017 1.00 10.00 C ATOM 606 C ASP A 40 -2.870 -8.287 4.882 1.00 10.00 C ATOM 607 O ASP A 40 -3.321 -7.994 3.779 1.00 10.00 O ATOM 608 CB ASP A 40 -1.410 -10.339 5.339 1.00 10.00 C ATOM 609 CG ASP A 40 -0.047 -10.925 5.674 1.00 10.00 C ATOM 610 OD1 ASP A 40 0.972 -10.281 5.351 1.00 10.00 O ATOM 611 OD2 ASP A 40 -0.072 -12.058 6.196 1.00 10.00 O ATOM 0 H ASP A 40 -0.029 -7.391 5.528 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.953 -8.727 4.046 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.079 -10.523 6.180 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.816 -10.880 4.484 1.00 10.00 H new ATOM 616 N ASN A 41 -3.582 -8.089 6.000 1.00 10.00 N ATOM 617 CA ASN A 41 -4.894 -7.423 6.050 1.00 10.00 C ATOM 618 C ASN A 41 -4.973 -6.238 5.078 1.00 10.00 C ATOM 619 O ASN A 41 -5.963 -6.028 4.387 1.00 10.00 O ATOM 620 CB ASN A 41 -5.204 -6.889 7.459 1.00 10.00 C ATOM 621 CG ASN A 41 -4.721 -7.778 8.591 1.00 10.00 C ATOM 622 OD1 ASN A 41 -3.571 -7.443 9.151 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -5.390 -8.721 8.988 1.00 10.00 N flip ATOM 0 H ASN A 41 -3.255 -8.394 6.917 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.622 -8.183 5.767 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.750 -5.904 7.568 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.282 -6.755 7.554 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -6.272 -8.949 8.530 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -5.066 -9.280 9.777 1.00 10.00 H new ATOM 630 N LEU A 42 -3.882 -5.476 5.020 1.00 10.00 N ATOM 631 CA LEU A 42 -3.742 -4.304 4.183 1.00 10.00 C ATOM 632 C LEU A 42 -3.700 -4.683 2.695 1.00 10.00 C ATOM 633 O LEU A 42 -4.494 -4.176 1.913 1.00 10.00 O ATOM 634 CB LEU A 42 -2.478 -3.590 4.653 1.00 10.00 C ATOM 635 CG LEU A 42 -2.575 -2.906 6.037 1.00 10.00 C ATOM 636 CD1 LEU A 42 -3.962 -2.344 6.383 1.00 10.00 C ATOM 637 CD2 LEU A 42 -2.123 -3.839 7.166 1.00 10.00 C ATOM 0 H LEU A 42 -3.049 -5.671 5.575 1.00 10.00 H new ATOM 0 HA LEU A 42 -4.600 -3.638 4.276 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -1.662 -4.313 4.681 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.211 -2.836 3.912 1.00 10.00 H new ATOM 0 HG LEU A 42 -1.898 -2.056 5.954 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -3.932 -1.884 7.371 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -4.246 -1.596 5.643 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -4.693 -3.153 6.381 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -2.206 -3.321 8.121 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -2.754 -4.727 7.179 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -1.086 -4.133 7.002 1.00 10.00 H new ATOM 649 N VAL A 43 -2.844 -5.632 2.305 1.00 10.00 N ATOM 650 CA VAL A 43 -2.870 -6.279 0.989 1.00 10.00 C ATOM 651 C VAL A 43 -4.282 -6.806 0.618 1.00 10.00 C ATOM 652 O VAL A 43 -4.661 -6.841 -0.552 1.00 10.00 O ATOM 653 CB VAL A 43 -1.738 -7.318 0.841 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.231 -8.761 0.819 1.00 10.00 C ATOM 655 CG2 VAL A 43 -0.983 -7.144 -0.478 1.00 10.00 C ATOM 0 H VAL A 43 -2.098 -5.979 2.908 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.658 -5.517 0.239 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.109 -7.140 1.713 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.381 -9.434 0.713 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.754 -8.981 1.750 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.911 -8.900 -0.021 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.194 -7.893 -0.547 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.674 -7.267 -1.312 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.542 -6.148 -0.516 1.00 10.00 H new ATOM 665 N LYS A 44 -5.097 -7.180 1.611 1.00 10.00 N ATOM 666 CA LYS A 44 -6.494 -7.563 1.388 1.00 10.00 C ATOM 667 C LYS A 44 -7.469 -6.373 1.269 1.00 10.00 C ATOM 668 O LYS A 44 -8.360 -6.416 0.423 1.00 10.00 O ATOM 669 CB LYS A 44 -6.915 -8.638 2.404 1.00 10.00 C ATOM 670 CG LYS A 44 -6.172 -9.944 2.061 1.00 10.00 C ATOM 671 CD LYS A 44 -5.317 -10.548 3.191 1.00 10.00 C ATOM 672 CE LYS A 44 -3.947 -10.987 2.635 1.00 10.00 C ATOM 673 NZ LYS A 44 -3.517 -12.336 3.055 1.00 10.00 N ATOM 0 H LYS A 44 -4.807 -7.225 2.588 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.558 -8.012 0.397 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -6.673 -8.318 3.418 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -7.993 -8.794 2.368 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.907 -10.687 1.751 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -5.526 -9.757 1.203 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -5.179 -9.815 3.986 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -5.831 -11.402 3.631 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -3.984 -10.954 1.546 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -3.193 -10.265 2.950 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -2.589 -12.550 2.637 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -3.446 -12.371 4.092 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -4.212 -13.038 2.732 1.00 10.00 H new ATOM 687 N SER A 45 -7.289 -5.296 2.037 1.00 10.00 N ATOM 688 CA SER A 45 -8.063 -4.061 1.924 1.00 10.00 C ATOM 689 C SER A 45 -7.619 -3.229 0.709 1.00 10.00 C ATOM 690 O SER A 45 -8.373 -2.385 0.225 1.00 10.00 O ATOM 691 CB SER A 45 -7.954 -3.243 3.208 1.00 10.00 C ATOM 692 OG SER A 45 -8.348 -4.004 4.337 1.00 10.00 O ATOM 0 H SER A 45 -6.583 -5.259 2.772 1.00 10.00 H new ATOM 0 HA SER A 45 -9.108 -4.334 1.773 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.927 -2.900 3.338 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.579 -2.354 3.130 1.00 10.00 H new ATOM 0 HG SER A 45 -7.689 -4.711 4.501 1.00 10.00 H new ATOM 698 N VAL A 46 -6.434 -3.515 0.153 1.00 10.00 N ATOM 699 CA VAL A 46 -5.975 -2.854 -1.062 1.00 10.00 C ATOM 700 C VAL A 46 -6.427 -3.596 -2.316 1.00 10.00 C ATOM 701 O VAL A 46 -6.865 -2.954 -3.272 1.00 10.00 O ATOM 702 CB VAL A 46 -4.463 -2.617 -1.017 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.699 -3.894 -1.307 1.00 10.00 C ATOM 704 CG2 VAL A 46 -4.014 -1.665 -2.101 1.00 10.00 C ATOM 0 H VAL A 46 -5.780 -4.201 0.530 1.00 10.00 H new ATOM 0 HA VAL A 46 -6.446 -1.872 -1.113 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.265 -2.226 -0.019 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.628 -3.694 -1.268 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.955 -4.648 -0.563 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.964 -4.259 -2.299 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.935 -1.522 -2.036 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -4.267 -2.079 -3.077 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -4.515 -0.706 -1.973 1.00 10.00 H new ATOM 714 N LYS A 47 -6.370 -4.939 -2.319 1.00 10.00 N ATOM 715 CA LYS A 47 -6.844 -5.702 -3.469 1.00 10.00 C ATOM 716 C LYS A 47 -8.281 -5.301 -3.840 1.00 10.00 C ATOM 717 O LYS A 47 -8.639 -5.176 -5.008 1.00 10.00 O ATOM 718 CB LYS A 47 -6.573 -7.210 -3.318 1.00 10.00 C ATOM 719 CG LYS A 47 -7.582 -8.071 -2.553 1.00 10.00 C ATOM 720 CD LYS A 47 -8.937 -8.123 -3.267 1.00 10.00 C ATOM 721 CE LYS A 47 -9.538 -9.529 -3.386 1.00 10.00 C ATOM 722 NZ LYS A 47 -9.074 -10.204 -4.619 1.00 10.00 N ATOM 0 H LYS A 47 -6.007 -5.503 -1.551 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.254 -5.436 -4.346 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.475 -7.629 -4.319 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.606 -7.323 -2.829 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -7.189 -9.082 -2.443 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -7.715 -7.670 -1.548 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -9.640 -7.485 -2.732 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -8.823 -7.704 -4.267 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -9.258 -10.122 -2.516 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -10.626 -9.464 -3.391 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -9.495 -11.153 -4.675 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -9.363 -9.648 -5.449 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -8.037 -10.286 -4.601 1.00 10.00 H new ATOM 736 N THR A 48 -9.091 -5.076 -2.805 1.00 10.00 N ATOM 737 CA THR A 48 -10.490 -4.648 -2.902 1.00 10.00 C ATOM 738 C THR A 48 -10.620 -3.175 -3.320 1.00 10.00 C ATOM 739 O THR A 48 -11.482 -2.840 -4.128 1.00 10.00 O ATOM 740 CB THR A 48 -11.206 -4.936 -1.568 1.00 10.00 C ATOM 741 OG1 THR A 48 -12.532 -4.494 -1.546 1.00 10.00 O ATOM 742 CG2 THR A 48 -10.583 -4.238 -0.373 1.00 10.00 C ATOM 0 H THR A 48 -8.781 -5.191 -1.840 1.00 10.00 H new ATOM 0 HA THR A 48 -10.975 -5.222 -3.692 1.00 10.00 H new ATOM 0 HB THR A 48 -11.123 -6.021 -1.498 1.00 10.00 H new ATOM 0 HG1 THR A 48 -12.933 -4.706 -0.677 1.00 10.00 H new ATOM 0 HG21 THR A 48 -11.142 -4.490 0.528 1.00 10.00 H new ATOM 0 HG22 THR A 48 -9.549 -4.563 -0.260 1.00 10.00 H new ATOM 0 HG23 THR A 48 -10.610 -3.159 -0.527 1.00 10.00 H new ATOM 750 N GLY A 49 -9.747 -2.298 -2.811 1.00 10.00 N ATOM 751 CA GLY A 49 -9.827 -0.859 -3.043 1.00 10.00 C ATOM 752 C GLY A 49 -10.818 -0.179 -2.093 1.00 10.00 C ATOM 753 O GLY A 49 -12.025 -0.193 -2.316 1.00 10.00 O ATOM 0 H GLY A 49 -8.961 -2.573 -2.223 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -8.840 -0.416 -2.915 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.128 -0.674 -4.074 1.00 10.00 H new ATOM 757 N LEU A 50 -10.303 0.442 -1.028 1.00 10.00 N ATOM 758 CA LEU A 50 -11.082 1.311 -0.146 1.00 10.00 C ATOM 759 C LEU A 50 -11.710 2.488 -0.916 1.00 10.00 C ATOM 760 O LEU A 50 -11.360 2.765 -2.055 1.00 10.00 O ATOM 761 CB LEU A 50 -10.151 1.814 0.969 1.00 10.00 C ATOM 762 CG LEU A 50 -10.821 2.203 2.300 1.00 10.00 C ATOM 763 CD1 LEU A 50 -11.381 0.974 3.031 1.00 10.00 C ATOM 764 CD2 LEU A 50 -9.829 2.951 3.196 1.00 10.00 C ATOM 0 H LEU A 50 -9.325 0.354 -0.753 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.911 0.747 0.282 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.413 1.039 1.173 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.607 2.681 0.594 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.659 2.862 2.071 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -11.846 1.287 3.966 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -12.124 0.484 2.402 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -10.571 0.277 3.245 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -10.316 3.220 4.133 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -8.972 2.311 3.403 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -9.492 3.856 2.690 1.00 10.00 H new ATOM 776 N ASN A 51 -12.621 3.216 -0.276 1.00 10.00 N ATOM 777 CA ASN A 51 -13.418 4.300 -0.868 1.00 10.00 C ATOM 778 C ASN A 51 -12.590 5.287 -1.693 1.00 10.00 C ATOM 779 O ASN A 51 -12.834 5.515 -2.872 1.00 10.00 O ATOM 780 CB ASN A 51 -14.159 5.085 0.227 1.00 10.00 C ATOM 781 CG ASN A 51 -14.799 4.121 1.200 1.00 10.00 C ATOM 782 OD1 ASN A 51 -14.026 3.765 2.216 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.886 3.604 0.991 1.00 10.00 N flip ATOM 0 H ASN A 51 -12.837 3.065 0.709 1.00 10.00 H new ATOM 0 HA ASN A 51 -14.122 3.811 -1.541 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -13.464 5.739 0.753 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.920 5.723 -0.221 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -16.451 3.907 0.197 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -16.229 2.869 1.610 1.00 10.00 H new ATOM 790 N ALA A 52 -11.606 5.877 -1.018 1.00 10.00 N ATOM 791 CA ALA A 52 -10.646 6.806 -1.592 1.00 10.00 C ATOM 792 C ALA A 52 -9.418 6.093 -2.187 1.00 10.00 C ATOM 793 O ALA A 52 -8.412 6.745 -2.468 1.00 10.00 O ATOM 794 CB ALA A 52 -10.273 7.813 -0.500 1.00 10.00 C ATOM 0 H ALA A 52 -11.453 5.713 -0.023 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.093 7.328 -2.438 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.552 8.528 -0.896 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -11.168 8.343 -0.173 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.834 7.286 0.347 1.00 10.00 H new ATOM 800 N MET A 53 -9.499 4.769 -2.390 1.00 10.00 N ATOM 801 CA MET A 53 -8.480 3.995 -3.108 1.00 10.00 C ATOM 802 C MET A 53 -8.930 3.447 -4.478 1.00 10.00 C ATOM 803 O MET A 53 -10.108 3.184 -4.704 1.00 10.00 O ATOM 804 CB MET A 53 -8.001 2.837 -2.224 1.00 10.00 C ATOM 805 CG MET A 53 -6.886 3.273 -1.277 1.00 10.00 C ATOM 806 SD MET A 53 -5.484 2.139 -1.274 1.00 10.00 S ATOM 807 CE MET A 53 -6.100 0.941 -0.066 1.00 10.00 C ATOM 0 H MET A 53 -10.280 4.203 -2.057 1.00 10.00 H new ATOM 0 HA MET A 53 -7.672 4.694 -3.321 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.840 2.450 -1.645 1.00 10.00 H new ATOM 0 HB3 MET A 53 -7.645 2.021 -2.854 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.542 4.267 -1.562 1.00 10.00 H new ATOM 0 HG3 MET A 53 -7.285 3.352 -0.266 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.282 0.299 0.259 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.510 1.470 0.794 1.00 10.00 H new ATOM 0 HE3 MET A 53 -6.880 0.332 -0.523 1.00 10.00 H new ATOM 817 N PRO A 54 -7.977 3.226 -5.403 1.00 10.00 N ATOM 818 CA PRO A 54 -8.238 2.506 -6.639 1.00 10.00 C ATOM 819 C PRO A 54 -8.420 1.004 -6.366 1.00 10.00 C ATOM 820 O PRO A 54 -7.874 0.480 -5.391 1.00 10.00 O ATOM 821 CB PRO A 54 -7.027 2.783 -7.537 1.00 10.00 C ATOM 822 CG PRO A 54 -5.894 3.107 -6.565 1.00 10.00 C ATOM 823 CD PRO A 54 -6.576 3.610 -5.298 1.00 10.00 C ATOM 0 HA PRO A 54 -9.161 2.833 -7.118 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -6.785 1.918 -8.154 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -7.218 3.615 -8.215 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.288 2.224 -6.361 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -5.227 3.863 -6.978 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.119 3.171 -4.411 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -6.476 4.692 -5.207 1.00 10.00 H new ATOM 831 N PRO A 55 -9.160 0.290 -7.231 1.00 10.00 N ATOM 832 CA PRO A 55 -9.324 -1.152 -7.120 1.00 10.00 C ATOM 833 C PRO A 55 -7.953 -1.806 -7.270 1.00 10.00 C ATOM 834 O PRO A 55 -7.182 -1.429 -8.156 1.00 10.00 O ATOM 835 CB PRO A 55 -10.272 -1.539 -8.260 1.00 10.00 C ATOM 836 CG PRO A 55 -9.977 -0.485 -9.327 1.00 10.00 C ATOM 837 CD PRO A 55 -9.698 0.769 -8.496 1.00 10.00 C ATOM 0 HA PRO A 55 -9.733 -1.475 -6.163 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -10.075 -2.547 -8.624 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.315 -1.512 -7.944 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -9.121 -0.761 -9.943 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -10.822 -0.344 -10.001 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -8.988 1.424 -9.001 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -10.609 1.347 -8.341 1.00 10.00 H new ATOM 845 N GLY A 56 -7.590 -2.742 -6.386 1.00 10.00 N ATOM 846 CA GLY A 56 -6.294 -3.372 -6.525 1.00 10.00 C ATOM 847 C GLY A 56 -5.149 -2.382 -6.366 1.00 10.00 C ATOM 848 O GLY A 56 -4.095 -2.570 -6.968 1.00 10.00 O ATOM 0 H GLY A 56 -8.156 -3.063 -5.601 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -6.195 -4.161 -5.780 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -6.227 -3.847 -7.504 1.00 10.00 H new ATOM 852 N GLY A 57 -5.336 -1.327 -5.567 1.00 10.00 N ATOM 853 CA GLY A 57 -4.330 -0.296 -5.342 1.00 10.00 C ATOM 854 C GLY A 57 -3.626 0.183 -6.626 1.00 10.00 C ATOM 855 O GLY A 57 -2.452 0.538 -6.572 1.00 10.00 O ATOM 0 H GLY A 57 -6.203 -1.167 -5.054 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.803 0.559 -4.858 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.580 -0.679 -4.650 1.00 10.00 H new ATOM 859 N MET A 58 -4.338 0.187 -7.765 1.00 10.00 N ATOM 860 CA MET A 58 -3.833 0.534 -9.095 1.00 10.00 C ATOM 861 C MET A 58 -2.859 -0.519 -9.671 1.00 10.00 C ATOM 862 O MET A 58 -1.821 -0.178 -10.240 1.00 10.00 O ATOM 863 CB MET A 58 -3.249 1.956 -9.079 1.00 10.00 C ATOM 864 CG MET A 58 -3.181 2.582 -10.477 1.00 10.00 C ATOM 865 SD MET A 58 -1.890 3.841 -10.664 1.00 10.00 S ATOM 866 CE MET A 58 -2.855 5.182 -11.377 1.00 10.00 C ATOM 0 H MET A 58 -5.327 -0.064 -7.780 1.00 10.00 H new ATOM 0 HA MET A 58 -4.675 0.525 -9.787 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.858 2.587 -8.432 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.248 1.929 -8.648 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.012 1.792 -11.209 1.00 10.00 H new ATOM 0 HG3 MET A 58 -4.147 3.030 -10.710 1.00 10.00 H new ATOM 0 HE1 MET A 58 -2.208 6.041 -11.556 1.00 10.00 H new ATOM 0 HE2 MET A 58 -3.292 4.854 -12.320 1.00 10.00 H new ATOM 0 HE3 MET A 58 -3.650 5.464 -10.687 1.00 10.00 H new ATOM 876 N CYS A 59 -3.200 -1.806 -9.545 1.00 10.00 N ATOM 877 CA CYS A 59 -2.418 -2.937 -10.055 1.00 10.00 C ATOM 878 C CYS A 59 -3.270 -3.856 -10.954 1.00 10.00 C ATOM 879 O CYS A 59 -4.493 -3.872 -10.830 1.00 10.00 O ATOM 880 CB CYS A 59 -1.819 -3.670 -8.846 1.00 10.00 C ATOM 881 SG CYS A 59 -0.037 -3.932 -8.869 1.00 10.00 S ATOM 0 H CYS A 59 -4.054 -2.098 -9.071 1.00 10.00 H new ATOM 0 HA CYS A 59 -1.610 -2.586 -10.697 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -2.070 -3.107 -7.947 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -2.306 -4.641 -8.760 1.00 10.00 H new ATOM 886 N THR A 60 -2.626 -4.614 -11.854 1.00 10.00 N ATOM 887 CA THR A 60 -3.292 -5.530 -12.795 1.00 10.00 C ATOM 888 C THR A 60 -2.950 -6.986 -12.433 1.00 10.00 C ATOM 889 O THR A 60 -3.600 -7.580 -11.574 1.00 10.00 O ATOM 890 CB THR A 60 -2.948 -5.147 -14.253 1.00 10.00 C ATOM 891 OG1 THR A 60 -3.276 -3.792 -14.482 1.00 10.00 O ATOM 892 CG2 THR A 60 -3.724 -5.974 -15.282 1.00 10.00 C ATOM 0 H THR A 60 -1.611 -4.608 -11.951 1.00 10.00 H new ATOM 0 HA THR A 60 -4.375 -5.438 -12.712 1.00 10.00 H new ATOM 0 HB THR A 60 -1.882 -5.337 -14.374 1.00 10.00 H new ATOM 0 HG1 THR A 60 -3.055 -3.554 -15.406 1.00 10.00 H new ATOM 0 HG21 THR A 60 -3.442 -5.661 -16.287 1.00 10.00 H new ATOM 0 HG22 THR A 60 -3.490 -7.030 -15.151 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.794 -5.820 -15.141 1.00 10.00 H new ATOM 900 N ASP A 61 -1.894 -7.554 -13.022 1.00 10.00 N ATOM 901 CA ASP A 61 -1.426 -8.909 -12.765 1.00 10.00 C ATOM 902 C ASP A 61 -0.409 -8.891 -11.615 1.00 10.00 C ATOM 903 O ASP A 61 0.786 -9.120 -11.799 1.00 10.00 O ATOM 904 CB ASP A 61 -0.860 -9.476 -14.072 1.00 10.00 C ATOM 905 CG ASP A 61 -1.964 -9.775 -15.067 1.00 10.00 C ATOM 906 OD1 ASP A 61 -2.644 -10.800 -14.855 1.00 10.00 O ATOM 907 OD2 ASP A 61 -2.108 -8.969 -16.011 1.00 10.00 O ATOM 0 H ASP A 61 -1.326 -7.063 -13.713 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.237 -9.563 -12.445 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -0.159 -8.763 -14.507 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -0.299 -10.387 -13.863 1.00 10.00 H new ATOM 912 N CYS A 62 -0.903 -8.554 -10.425 1.00 10.00 N ATOM 913 CA CYS A 62 -0.106 -8.394 -9.213 1.00 10.00 C ATOM 914 C CYS A 62 -0.524 -9.394 -8.133 1.00 10.00 C ATOM 915 O CYS A 62 -1.702 -9.463 -7.786 1.00 10.00 O ATOM 916 CB CYS A 62 -0.254 -6.957 -8.725 1.00 10.00 C ATOM 917 SG CYS A 62 0.214 -5.710 -9.949 1.00 10.00 S ATOM 0 H CYS A 62 -1.897 -8.380 -10.275 1.00 10.00 H new ATOM 0 HA CYS A 62 0.941 -8.599 -9.436 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.290 -6.790 -8.429 1.00 10.00 H new ATOM 0 HB3 CYS A 62 0.358 -6.823 -7.833 1.00 10.00 H new ATOM 922 N THR A 63 0.442 -10.145 -7.594 1.00 10.00 N ATOM 923 CA THR A 63 0.192 -11.244 -6.659 1.00 10.00 C ATOM 924 C THR A 63 0.947 -10.997 -5.349 1.00 10.00 C ATOM 925 O THR A 63 2.035 -10.414 -5.367 1.00 10.00 O ATOM 926 CB THR A 63 0.603 -12.570 -7.322 1.00 10.00 C ATOM 927 OG1 THR A 63 -0.129 -12.745 -8.517 1.00 10.00 O ATOM 928 CG2 THR A 63 0.312 -13.783 -6.435 1.00 10.00 C ATOM 0 H THR A 63 1.431 -10.004 -7.798 1.00 10.00 H new ATOM 0 HA THR A 63 -0.869 -11.301 -6.415 1.00 10.00 H new ATOM 0 HB THR A 63 1.676 -12.510 -7.503 1.00 10.00 H new ATOM 0 HG1 THR A 63 0.134 -13.589 -8.941 1.00 10.00 H new ATOM 0 HG21 THR A 63 0.621 -14.693 -6.950 1.00 10.00 H new ATOM 0 HG22 THR A 63 0.864 -13.690 -5.500 1.00 10.00 H new ATOM 0 HG23 THR A 63 -0.756 -13.831 -6.223 1.00 10.00 H new ATOM 936 N ASP A 64 0.364 -11.422 -4.217 1.00 10.00 N ATOM 937 CA ASP A 64 0.873 -11.271 -2.856 1.00 10.00 C ATOM 938 C ASP A 64 2.399 -11.422 -2.754 1.00 10.00 C ATOM 939 O ASP A 64 3.040 -10.631 -2.069 1.00 10.00 O ATOM 940 CB ASP A 64 0.123 -12.269 -1.956 1.00 10.00 C ATOM 941 CG ASP A 64 -1.157 -11.711 -1.339 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.866 -10.988 -2.069 1.00 10.00 O ATOM 943 OD2 ASP A 64 -1.415 -12.031 -0.155 1.00 10.00 O ATOM 0 H ASP A 64 -0.531 -11.910 -4.235 1.00 10.00 H new ATOM 0 HA ASP A 64 0.684 -10.251 -2.520 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.124 -13.155 -2.541 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.789 -12.592 -1.156 1.00 10.00 H new ATOM 948 N GLU A 65 2.977 -12.404 -3.455 1.00 10.00 N ATOM 949 CA GLU A 65 4.419 -12.598 -3.606 1.00 10.00 C ATOM 950 C GLU A 65 5.222 -11.281 -3.695 1.00 10.00 C ATOM 951 O GLU A 65 6.119 -11.075 -2.876 1.00 10.00 O ATOM 952 CB GLU A 65 4.674 -13.562 -4.777 1.00 10.00 C ATOM 953 CG GLU A 65 4.285 -12.985 -6.148 1.00 10.00 C ATOM 954 CD GLU A 65 4.153 -14.066 -7.214 1.00 10.00 C ATOM 955 OE1 GLU A 65 3.064 -14.677 -7.248 1.00 10.00 O ATOM 956 OE2 GLU A 65 5.128 -14.262 -7.966 1.00 10.00 O ATOM 0 H GLU A 65 2.431 -13.110 -3.950 1.00 10.00 H new ATOM 0 HA GLU A 65 4.802 -13.055 -2.693 1.00 10.00 H new ATOM 0 HB2 GLU A 65 5.730 -13.830 -4.792 1.00 10.00 H new ATOM 0 HB3 GLU A 65 4.114 -14.482 -4.608 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.340 -12.448 -6.059 1.00 10.00 H new ATOM 0 HG3 GLU A 65 5.036 -12.259 -6.461 1.00 10.00 H new ATOM 963 N ASP A 66 4.856 -10.371 -4.609 1.00 10.00 N ATOM 964 CA ASP A 66 5.448 -9.034 -4.709 1.00 10.00 C ATOM 965 C ASP A 66 4.546 -7.963 -4.065 1.00 10.00 C ATOM 966 O ASP A 66 5.050 -7.013 -3.465 1.00 10.00 O ATOM 967 CB ASP A 66 5.815 -8.723 -6.174 1.00 10.00 C ATOM 968 CG ASP A 66 7.285 -8.984 -6.482 1.00 10.00 C ATOM 969 OD1 ASP A 66 7.621 -10.172 -6.652 1.00 10.00 O ATOM 970 OD2 ASP A 66 8.040 -7.984 -6.548 1.00 10.00 O ATOM 0 H ASP A 66 4.132 -10.547 -5.306 1.00 10.00 H new ATOM 0 HA ASP A 66 6.375 -9.015 -4.136 1.00 10.00 H new ATOM 0 HB2 ASP A 66 5.196 -9.330 -6.836 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.583 -7.680 -6.388 1.00 10.00 H new ATOM 975 N TYR A 67 3.213 -8.105 -4.123 1.00 10.00 N ATOM 976 CA TYR A 67 2.286 -7.155 -3.499 1.00 10.00 C ATOM 977 C TYR A 67 2.638 -6.888 -2.026 1.00 10.00 C ATOM 978 O TYR A 67 2.588 -5.756 -1.548 1.00 10.00 O ATOM 979 CB TYR A 67 0.857 -7.706 -3.606 1.00 10.00 C ATOM 980 CG TYR A 67 -0.189 -6.792 -4.199 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.334 -5.468 -3.742 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.135 -7.338 -5.087 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.420 -4.693 -4.184 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.230 -6.570 -5.504 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.380 -5.262 -5.032 1.00 10.00 C ATOM 986 OH TYR A 67 -3.497 -4.571 -5.358 1.00 10.00 O ATOM 0 H TYR A 67 2.751 -8.878 -4.602 1.00 10.00 H new ATOM 0 HA TYR A 67 2.366 -6.205 -4.027 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.889 -8.617 -4.204 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.529 -7.993 -2.607 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.386 -5.050 -3.055 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.017 -8.349 -5.447 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.514 -3.663 -3.872 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -2.955 -6.986 -6.187 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.303 -3.971 -6.108 1.00 10.00 H new ATOM 996 N LYS A 68 3.027 -7.942 -1.309 1.00 10.00 N ATOM 997 CA LYS A 68 3.433 -7.856 0.081 1.00 10.00 C ATOM 998 C LYS A 68 4.762 -7.113 0.191 1.00 10.00 C ATOM 999 O LYS A 68 4.850 -6.153 0.940 1.00 10.00 O ATOM 1000 CB LYS A 68 3.444 -9.242 0.733 1.00 10.00 C ATOM 1001 CG LYS A 68 4.696 -10.079 0.437 1.00 10.00 C ATOM 1002 CD LYS A 68 4.461 -11.505 0.940 1.00 10.00 C ATOM 1003 CE LYS A 68 5.773 -12.095 1.463 1.00 10.00 C ATOM 1004 NZ LYS A 68 5.538 -13.417 2.076 1.00 10.00 N ATOM 0 H LYS A 68 3.067 -8.888 -1.688 1.00 10.00 H new ATOM 0 HA LYS A 68 2.703 -7.273 0.643 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.351 -9.122 1.812 1.00 10.00 H new ATOM 0 HB3 LYS A 68 2.566 -9.794 0.397 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.903 -10.085 -0.633 1.00 10.00 H new ATOM 0 HG3 LYS A 68 5.567 -9.644 0.927 1.00 10.00 H new ATOM 0 HD2 LYS A 68 3.712 -11.502 1.732 1.00 10.00 H new ATOM 0 HD3 LYS A 68 4.069 -12.125 0.133 1.00 10.00 H new ATOM 0 HE2 LYS A 68 6.488 -12.189 0.645 1.00 10.00 H new ATOM 0 HE3 LYS A 68 6.215 -11.421 2.197 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 6.438 -13.803 2.425 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 4.873 -13.319 2.869 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 5.137 -14.063 1.366 1.00 10.00 H new ATOM 1018 N ALA A 69 5.762 -7.475 -0.621 1.00 10.00 N ATOM 1019 CA ALA A 69 7.037 -6.765 -0.672 1.00 10.00 C ATOM 1020 C ALA A 69 6.845 -5.265 -0.960 1.00 10.00 C ATOM 1021 O ALA A 69 7.594 -4.432 -0.462 1.00 10.00 O ATOM 1022 CB ALA A 69 7.959 -7.439 -1.690 1.00 10.00 C ATOM 0 H ALA A 69 5.706 -8.269 -1.259 1.00 10.00 H new ATOM 0 HA ALA A 69 7.511 -6.822 0.308 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.910 -6.908 -1.727 1.00 10.00 H new ATOM 0 HB2 ALA A 69 8.132 -8.474 -1.395 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.492 -7.416 -2.675 1.00 10.00 H new ATOM 1028 N ALA A 70 5.815 -4.914 -1.735 1.00 10.00 N ATOM 1029 CA ALA A 70 5.514 -3.532 -2.122 1.00 10.00 C ATOM 1030 C ALA A 70 5.077 -2.731 -0.896 1.00 10.00 C ATOM 1031 O ALA A 70 5.508 -1.602 -0.687 1.00 10.00 O ATOM 1032 CB ALA A 70 4.439 -3.511 -3.218 1.00 10.00 C ATOM 0 H ALA A 70 5.156 -5.592 -2.117 1.00 10.00 H new ATOM 0 HA ALA A 70 6.412 -3.066 -2.527 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.224 -2.479 -3.497 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.799 -4.056 -4.091 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.530 -3.983 -2.845 1.00 10.00 H new ATOM 1038 N ILE A 71 4.243 -3.363 -0.072 1.00 10.00 N ATOM 1039 CA ILE A 71 3.791 -2.879 1.227 1.00 10.00 C ATOM 1040 C ILE A 71 4.942 -2.844 2.258 1.00 10.00 C ATOM 1041 O ILE A 71 5.231 -1.824 2.887 1.00 10.00 O ATOM 1042 CB ILE A 71 2.575 -3.753 1.630 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.250 -3.062 1.270 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.582 -4.227 3.085 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.266 -4.007 0.595 1.00 10.00 C ATOM 0 H ILE A 71 3.845 -4.273 -0.306 1.00 10.00 H new ATOM 0 HA ILE A 71 3.469 -1.839 1.184 1.00 10.00 H new ATOM 0 HB ILE A 71 2.670 -4.664 1.039 1.00 10.00 H new ATOM 0 HG12 ILE A 71 0.797 -2.657 2.175 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.451 -2.219 0.609 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.695 -4.831 3.275 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.474 -4.826 3.268 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.582 -3.363 3.749 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.653 -3.469 0.362 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.705 -4.392 -0.325 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.041 -4.837 1.265 1.00 10.00 H new ATOM 1057 N GLU A 72 5.648 -3.965 2.402 1.00 10.00 N ATOM 1058 CA GLU A 72 6.794 -4.129 3.287 1.00 10.00 C ATOM 1059 C GLU A 72 7.917 -3.143 2.958 1.00 10.00 C ATOM 1060 O GLU A 72 8.605 -2.686 3.866 1.00 10.00 O ATOM 1061 CB GLU A 72 7.297 -5.581 3.269 1.00 10.00 C ATOM 1062 CG GLU A 72 6.315 -6.589 3.892 1.00 10.00 C ATOM 1063 CD GLU A 72 6.885 -8.005 3.913 1.00 10.00 C ATOM 1064 OE1 GLU A 72 7.653 -8.290 4.856 1.00 10.00 O ATOM 1065 OE2 GLU A 72 6.553 -8.778 2.987 1.00 10.00 O ATOM 0 H GLU A 72 5.426 -4.815 1.884 1.00 10.00 H new ATOM 0 HA GLU A 72 6.461 -3.901 4.299 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.497 -5.873 2.238 1.00 10.00 H new ATOM 0 HB3 GLU A 72 8.245 -5.633 3.805 1.00 10.00 H new ATOM 0 HG2 GLU A 72 6.075 -6.280 4.909 1.00 10.00 H new ATOM 0 HG3 GLU A 72 5.382 -6.582 3.328 1.00 10.00 H new ATOM 1072 N PHE A 73 8.087 -2.778 1.680 1.00 10.00 N ATOM 1073 CA PHE A 73 9.071 -1.780 1.270 1.00 10.00 C ATOM 1074 C PHE A 73 9.012 -0.524 2.151 1.00 10.00 C ATOM 1075 O PHE A 73 10.032 -0.060 2.656 1.00 10.00 O ATOM 1076 CB PHE A 73 8.850 -1.417 -0.203 1.00 10.00 C ATOM 1077 CG PHE A 73 9.904 -0.478 -0.753 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.879 0.892 -0.428 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.956 -0.991 -1.534 1.00 10.00 C ATOM 1080 CE1 PHE A 73 10.919 1.737 -0.853 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.976 -0.138 -1.986 1.00 10.00 C ATOM 1082 CZ PHE A 73 11.956 1.226 -1.651 1.00 10.00 C ATOM 0 H PHE A 73 7.546 -3.167 0.908 1.00 10.00 H new ATOM 0 HA PHE A 73 10.065 -2.211 1.393 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.841 -2.330 -0.798 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.869 -0.955 -0.313 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.059 1.294 0.149 1.00 10.00 H new ATOM 0 HD2 PHE A 73 10.979 -2.041 -1.786 1.00 10.00 H new ATOM 0 HE1 PHE A 73 10.921 2.778 -0.566 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.778 -0.532 -2.593 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.737 1.881 -2.007 1.00 10.00 H new ATOM 1092 N MET A 74 7.810 0.033 2.330 1.00 10.00 N ATOM 1093 CA MET A 74 7.621 1.214 3.161 1.00 10.00 C ATOM 1094 C MET A 74 7.898 0.924 4.642 1.00 10.00 C ATOM 1095 O MET A 74 8.548 1.712 5.326 1.00 10.00 O ATOM 1096 CB MET A 74 6.194 1.739 2.997 1.00 10.00 C ATOM 1097 CG MET A 74 5.933 2.459 1.661 1.00 10.00 C ATOM 1098 SD MET A 74 5.530 1.461 0.198 1.00 10.00 S ATOM 1099 CE MET A 74 3.783 1.045 0.458 1.00 10.00 C ATOM 0 H MET A 74 6.953 -0.321 1.906 1.00 10.00 H new ATOM 0 HA MET A 74 8.336 1.968 2.831 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.499 0.904 3.088 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.976 2.426 3.815 1.00 10.00 H new ATOM 0 HG2 MET A 74 5.114 3.161 1.818 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.818 3.049 1.425 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.397 0.528 -0.421 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.689 0.398 1.330 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.212 1.959 0.621 1.00 10.00 H new ATOM 1109 N SER A 75 7.366 -0.192 5.154 1.00 10.00 N ATOM 1110 CA SER A 75 7.604 -0.630 6.528 1.00 10.00 C ATOM 1111 C SER A 75 7.247 -2.110 6.718 1.00 10.00 C ATOM 1112 O SER A 75 8.147 -2.926 6.905 1.00 10.00 O ATOM 1113 CB SER A 75 6.857 0.292 7.505 1.00 10.00 C ATOM 1114 OG SER A 75 6.879 -0.218 8.826 1.00 10.00 O ATOM 0 H SER A 75 6.758 -0.816 4.624 1.00 10.00 H new ATOM 0 HA SER A 75 8.669 -0.551 6.746 1.00 10.00 H new ATOM 0 HB2 SER A 75 7.311 1.283 7.490 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.824 0.409 7.177 1.00 10.00 H new ATOM 0 HG SER A 75 6.397 0.394 9.421 1.00 10.00 H new ATOM 1120 N LYS A 76 5.943 -2.431 6.705 1.00 10.00 N ATOM 1121 CA LYS A 76 5.325 -3.734 6.958 1.00 10.00 C ATOM 1122 C LYS A 76 3.836 -3.577 7.320 1.00 10.00 C ATOM 1123 O LYS A 76 3.374 -4.128 8.313 1.00 10.00 O ATOM 1124 CB LYS A 76 6.092 -4.522 8.031 1.00 10.00 C ATOM 1125 CG LYS A 76 6.303 -3.738 9.336 1.00 10.00 C ATOM 1126 CD LYS A 76 7.673 -4.005 9.970 1.00 10.00 C ATOM 1127 CE LYS A 76 7.958 -2.881 10.974 1.00 10.00 C ATOM 1128 NZ LYS A 76 9.191 -3.140 11.746 1.00 10.00 N ATOM 0 H LYS A 76 5.238 -1.723 6.499 1.00 10.00 H new ATOM 0 HA LYS A 76 5.380 -4.314 6.037 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.549 -5.441 8.253 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.063 -4.814 7.631 1.00 10.00 H new ATOM 0 HG2 LYS A 76 6.202 -2.671 9.135 1.00 10.00 H new ATOM 0 HG3 LYS A 76 5.520 -4.004 10.046 1.00 10.00 H new ATOM 0 HD2 LYS A 76 7.679 -4.973 10.470 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.448 -4.037 9.204 1.00 10.00 H new ATOM 0 HE2 LYS A 76 8.053 -1.934 10.443 1.00 10.00 H new ATOM 0 HE3 LYS A 76 7.115 -2.780 11.657 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 9.352 -2.360 12.415 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 9.090 -4.032 12.272 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 9.999 -3.211 11.096 1.00 10.00 H new ATOM 1142 N ALA A 77 3.067 -2.827 6.520 1.00 10.00 N ATOM 1143 CA ALA A 77 1.614 -2.762 6.677 1.00 10.00 C ATOM 1144 C ALA A 77 0.899 -2.269 5.422 1.00 10.00 C ATOM 1145 O ALA A 77 0.339 -3.073 4.689 1.00 10.00 O ATOM 1146 CB ALA A 77 1.219 -1.932 7.901 1.00 10.00 C ATOM 0 H ALA A 77 3.431 -2.257 5.757 1.00 10.00 H new ATOM 0 HA ALA A 77 1.281 -3.787 6.839 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.133 -1.905 7.987 1.00 10.00 H new ATOM 0 HB2 ALA A 77 1.643 -2.383 8.798 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.600 -0.917 7.790 1.00 10.00 H new ATOM 1152 N LYS A 78 0.869 -0.952 5.217 1.00 10.00 N ATOM 1153 CA LYS A 78 0.200 -0.326 4.082 1.00 10.00 C ATOM 1154 C LYS A 78 1.093 -0.088 2.860 1.00 10.00 C ATOM 1155 O LYS A 78 0.699 0.740 2.009 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.518 0.947 4.540 1.00 10.00 C ATOM 1157 CG LYS A 78 0.421 2.126 4.791 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.367 3.412 4.969 1.00 10.00 C ATOM 1159 CE LYS A 78 -1.004 3.480 6.353 1.00 10.00 C ATOM 1160 NZ LYS A 78 -0.155 4.213 7.298 1.00 10.00 N ATOM 1161 OXT LYS A 78 2.148 -0.746 2.791 1.00 10.00 O ATOM 0 H LYS A 78 1.315 -0.283 5.844 1.00 10.00 H new ATOM 0 HA LYS A 78 -0.537 -1.044 3.722 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.251 1.232 3.785 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.070 0.733 5.455 1.00 10.00 H new ATOM 0 HG2 LYS A 78 1.022 1.936 5.680 1.00 10.00 H new ATOM 0 HG3 LYS A 78 1.113 2.230 3.955 1.00 10.00 H new ATOM 0 HD2 LYS A 78 0.292 4.268 4.826 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.142 3.476 4.205 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -1.977 3.966 6.284 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -1.178 2.470 6.725 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -0.214 3.767 8.236 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 0.831 4.193 6.967 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -0.479 5.199 7.363 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.719 3.476 -0.456 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.433 3.730 2.569 1.00 10.00 C HETATM 1178 CHB HEC A 90 -2.040 0.695 0.679 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.430 3.017 -3.633 1.00 10.00 C HETATM 1180 CHD HEC A 90 -5.136 6.520 -1.455 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.771 2.385 1.288 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.583 2.642 2.360 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.396 1.561 3.296 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.450 0.720 2.761 1.00 10.00 C HETATM 1185 C4A HEC A 90 -3.017 1.271 1.506 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.056 -0.621 3.299 1.00 10.00 C HETATM 1187 CAA HEC A 90 -5.071 1.385 4.636 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.387 0.579 4.670 1.00 10.00 C HETATM 1189 CGA HEC A 90 -6.874 -0.039 3.359 1.00 10.00 C HETATM 1190 O1A HEC A 90 -8.077 0.129 3.085 1.00 10.00 O HETATM 1191 O2A HEC A 90 -6.092 -0.737 2.684 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.469 2.089 -1.326 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.858 1.081 -0.647 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.957 0.427 -1.560 1.00 10.00 C HETATM 1195 C3B HEC A 90 -1.129 1.013 -2.796 1.00 10.00 C HETATM 1196 C4B HEC A 90 -2.068 2.105 -2.629 1.00 10.00 C HETATM 1197 CMB HEC A 90 -0.001 -0.688 -1.190 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.313 0.710 -4.034 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.378 -0.758 -4.490 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.812 4.560 -2.255 1.00 10.00 N HETATM 1201 C1C HEC A 90 -3.224 4.159 -3.418 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.486 5.187 -4.405 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.300 6.138 -3.807 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.445 5.761 -2.418 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.817 5.291 -5.762 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.941 7.372 -4.439 1.00 10.00 C HETATM 1207 CBC HEC A 90 -4.925 7.461 -5.969 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.954 4.938 0.459 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.357 6.096 -0.136 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.147 6.818 0.835 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.312 5.999 1.933 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.523 4.811 1.694 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.750 8.185 0.639 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.247 6.246 3.103 1.00 10.00 C HETATM 1215 CBD HEC A 90 -6.588 6.753 4.397 1.00 10.00 C HETATM 1216 CGD HEC A 90 -6.012 5.645 5.275 1.00 10.00 C HETATM 1217 O1D HEC A 90 -6.754 5.072 6.105 1.00 10.00 O HETATM 1218 O2D HEC A 90 -4.808 5.342 5.141 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -5.958 8.907 0.443 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.437 8.162 -0.207 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.292 8.476 1.539 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.740 5.398 -5.630 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.023 4.390 -6.339 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.206 6.160 -6.294 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.692 -0.335 -0.426 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.565 -1.537 -0.804 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.559 -0.995 -2.073 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.673 -0.508 4.313 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -3.925 -1.278 3.310 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.282 -1.054 2.665 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -5.790 7.449 4.138 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -7.325 7.313 4.973 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -3.894 7.454 -6.323 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.458 6.608 -6.389 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.411 8.384 -6.285 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 -0.003 -1.403 -3.695 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.411 -1.023 -4.716 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.234 -0.889 -5.383 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -6.270 -0.225 5.397 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -7.173 1.235 5.044 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -8.000 6.971 2.794 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.772 5.317 3.326 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.363 0.901 5.309 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -5.272 2.375 5.044 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.522 7.495 -1.752 1.00 10.00 H new HETATM 0 HHC HEC A 90 -2.073 2.828 -4.645 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.399 -0.085 1.090 1.00 10.00 H new HETATM 0 HHA HEC A 90 -6.058 3.734 3.462 1.00 10.00 H new HETATM 0 H2D HEC A 90 -4.282 5.769 5.850 1.00 10.00 H new