USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 706 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 67 GLN :FLIP amide:sc= -4.05! C(o=-7.1!,f=-5.7!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -1.63 K(o=-5.7,f=-9.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0941 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= 0.718 (180deg=0.516) USER MOD Single : A 5 TYR OH : rot -24:sc= 0.793 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.564 USER MOD Single : A 9 SER OG : rot -89:sc= -0.215! USER MOD Single : A 10 ASN : amide:sc= -0.0675 K(o=-0.067,f=-2.1!) USER MOD Single : A 12 HIS :FLIP no HE2:sc= 0.317 F(o=-1.7,f=0.32) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 48:sc= -0.724 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 105:sc= 0.78 USER MOD Single : A 19 ASN : amide:sc= -1.8 K(o=-1.8,f=-2.8!) USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= -0.159 (180deg=-0.617) USER MOD Single : A 25 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0169) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0.242 K(o=0.24,f=-0.9) USER MOD Single : A 35 ASN : amide:sc= -0.013 K(o=-0.013,f=-1.1) USER MOD Single : A 37 MET CE :methyl 161:sc= -3.8 (180deg=-4.72!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -127:sc= -1.4 (180deg=-1.43) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 60 GLN : amide:sc= -0.0343 X(o=-0.034,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 175:sc= 0 (180deg=-0.00403) USER MOD Single : A 74 SER OG : rot 180:sc= -1.55 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 143:sc= 0.0664 USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= -0.0431 (180deg=-0.647) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.536 -1.432 11.838 1.00 0.00 N ATOM 2 CA MET A 1 2.402 -2.205 10.913 1.00 0.00 C ATOM 3 C MET A 1 2.369 -1.613 9.506 1.00 0.00 C ATOM 4 O MET A 1 1.655 -0.641 9.255 1.00 0.00 O ATOM 5 CB MET A 1 1.995 -3.675 10.939 1.00 0.00 C ATOM 6 CG MET A 1 3.105 -4.616 10.484 1.00 0.00 C ATOM 7 SD MET A 1 4.727 -4.221 11.173 1.00 0.00 S ATOM 8 CE MET A 1 4.574 -4.912 12.819 1.00 0.00 C ATOM 0 H1 MET A 1 2.105 -1.080 12.634 1.00 0.00 H new ATOM 0 H2 MET A 1 1.117 -0.627 11.330 1.00 0.00 H new ATOM 0 H3 MET A 1 0.778 -2.046 12.199 1.00 0.00 H new ATOM 0 HA MET A 1 3.437 -2.140 11.247 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.693 -3.943 11.951 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.124 -3.815 10.299 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.841 -5.636 10.764 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.167 -4.590 9.396 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.500 -4.747 13.370 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.749 -4.428 13.342 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.380 -5.982 12.748 1.00 0.00 H new ATOM 20 N PHE A 2 3.179 -2.166 8.606 1.00 0.00 N ATOM 21 CA PHE A 2 3.288 -1.657 7.239 1.00 0.00 C ATOM 22 C PHE A 2 1.941 -1.240 6.675 1.00 0.00 C ATOM 23 O PHE A 2 0.974 -1.993 6.695 1.00 0.00 O ATOM 24 CB PHE A 2 3.906 -2.708 6.327 1.00 0.00 C ATOM 25 CG PHE A 2 5.246 -3.197 6.788 1.00 0.00 C ATOM 26 CD1 PHE A 2 6.397 -2.537 6.403 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.357 -4.316 7.597 1.00 0.00 C ATOM 28 CE1 PHE A 2 7.638 -2.978 6.815 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.596 -4.765 8.012 1.00 0.00 C ATOM 30 CZ PHE A 2 7.738 -4.095 7.621 1.00 0.00 C ATOM 0 H PHE A 2 3.773 -2.972 8.800 1.00 0.00 H new ATOM 0 HA PHE A 2 3.929 -0.776 7.280 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.226 -3.557 6.253 1.00 0.00 H new ATOM 0 HB3 PHE A 2 4.007 -2.292 5.325 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.325 -1.664 5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.466 -4.843 7.906 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.529 -2.451 6.508 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.671 -5.639 8.642 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.708 -4.444 7.945 1.00 0.00 H new ATOM 40 N LYS A 3 1.901 -0.017 6.179 1.00 0.00 N ATOM 41 CA LYS A 3 0.690 0.552 5.613 1.00 0.00 C ATOM 42 C LYS A 3 0.641 0.361 4.105 1.00 0.00 C ATOM 43 O LYS A 3 1.548 0.782 3.391 1.00 0.00 O ATOM 44 CB LYS A 3 0.620 2.040 5.943 1.00 0.00 C ATOM 45 CG LYS A 3 0.117 2.331 7.347 1.00 0.00 C ATOM 46 CD LYS A 3 1.252 2.293 8.362 1.00 0.00 C ATOM 47 CE LYS A 3 1.372 3.607 9.117 1.00 0.00 C ATOM 48 NZ LYS A 3 2.574 3.635 9.995 1.00 0.00 N ATOM 0 H LYS A 3 2.705 0.610 6.157 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.164 0.034 6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.612 2.477 5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.034 2.533 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.360 3.311 7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.644 1.600 7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.082 1.481 9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.191 2.079 7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.423 4.431 8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.478 3.762 9.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.764 4.613 10.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.404 3.045 10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.394 3.266 9.473 1.00 0.00 H new ATOM 62 N VAL A 4 -0.425 -0.266 3.619 1.00 0.00 N ATOM 63 CA VAL A 4 -0.572 -0.485 2.185 1.00 0.00 C ATOM 64 C VAL A 4 -1.715 0.336 1.608 1.00 0.00 C ATOM 65 O VAL A 4 -2.884 0.094 1.912 1.00 0.00 O ATOM 66 CB VAL A 4 -0.804 -1.967 1.832 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.340 -2.107 0.414 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.483 -2.744 1.964 1.00 0.00 C ATOM 0 H VAL A 4 -1.190 -0.627 4.188 1.00 0.00 H new ATOM 0 HA VAL A 4 0.372 -0.165 1.743 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.541 -2.368 2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.496 -3.161 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.286 -1.573 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.622 -1.687 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.304 -3.789 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.229 -2.330 1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.846 -2.675 2.989 1.00 0.00 H new ATOM 78 N TYR A 5 -1.372 1.278 0.743 1.00 0.00 N ATOM 79 CA TYR A 5 -2.368 2.101 0.094 1.00 0.00 C ATOM 80 C TYR A 5 -2.742 1.478 -1.238 1.00 0.00 C ATOM 81 O TYR A 5 -2.016 1.613 -2.220 1.00 0.00 O ATOM 82 CB TYR A 5 -1.847 3.520 -0.127 1.00 0.00 C ATOM 83 CG TYR A 5 -1.751 4.341 1.136 1.00 0.00 C ATOM 84 CD1 TYR A 5 -2.750 4.293 2.097 1.00 0.00 C ATOM 85 CD2 TYR A 5 -0.662 5.172 1.358 1.00 0.00 C ATOM 86 CE1 TYR A 5 -2.665 5.053 3.249 1.00 0.00 C ATOM 87 CE2 TYR A 5 -0.568 5.932 2.506 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.572 5.868 3.449 1.00 0.00 C ATOM 89 OH TYR A 5 -1.484 6.626 4.594 1.00 0.00 O ATOM 0 H TYR A 5 -0.410 1.488 0.477 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.246 2.158 0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.861 3.467 -0.589 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.503 4.031 -0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.606 3.653 1.943 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.125 5.225 0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.451 5.008 3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.287 6.573 2.665 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.382 6.780 4.954 1.00 0.00 H new ATOM 99 N GLY A 6 -3.865 0.777 -1.265 1.00 0.00 N ATOM 100 CA GLY A 6 -4.296 0.134 -2.485 1.00 0.00 C ATOM 101 C GLY A 6 -5.783 -0.133 -2.507 1.00 0.00 C ATOM 102 O GLY A 6 -6.581 0.732 -2.145 1.00 0.00 O ATOM 0 H GLY A 6 -4.483 0.643 -0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.031 0.762 -3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.760 -0.807 -2.604 1.00 0.00 H new ATOM 106 N TYR A 7 -6.161 -1.321 -2.959 1.00 0.00 N ATOM 107 CA TYR A 7 -7.555 -1.688 -3.056 1.00 0.00 C ATOM 108 C TYR A 7 -7.852 -2.990 -2.323 1.00 0.00 C ATOM 109 O TYR A 7 -6.950 -3.785 -2.055 1.00 0.00 O ATOM 110 CB TYR A 7 -7.913 -1.818 -4.523 1.00 0.00 C ATOM 111 CG TYR A 7 -7.534 -0.594 -5.311 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.295 0.562 -5.230 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.403 -0.584 -6.115 1.00 0.00 C ATOM 114 CE1 TYR A 7 -7.941 1.694 -5.930 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.043 0.545 -6.822 1.00 0.00 C ATOM 116 CZ TYR A 7 -6.814 1.682 -6.727 1.00 0.00 C ATOM 117 OH TYR A 7 -6.457 2.808 -7.429 1.00 0.00 O ATOM 0 H TYR A 7 -5.512 -2.047 -3.264 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.158 -0.913 -2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.409 -2.689 -4.942 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.985 -1.993 -4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.178 0.575 -4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.795 -1.474 -6.189 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.543 2.588 -5.856 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.162 0.537 -7.446 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.639 2.630 -7.939 1.00 0.00 H new ATOM 127 N ASP A 8 -9.125 -3.204 -2.005 1.00 0.00 N ATOM 128 CA ASP A 8 -9.543 -4.415 -1.310 1.00 0.00 C ATOM 129 C ASP A 8 -9.877 -5.520 -2.308 1.00 0.00 C ATOM 130 O ASP A 8 -9.167 -6.522 -2.392 1.00 0.00 O ATOM 131 CB ASP A 8 -10.750 -4.129 -0.414 1.00 0.00 C ATOM 132 CG ASP A 8 -10.373 -3.349 0.830 1.00 0.00 C ATOM 133 OD1 ASP A 8 -9.393 -2.577 0.774 1.00 0.00 O ATOM 134 OD2 ASP A 8 -11.060 -3.508 1.861 1.00 0.00 O ATOM 0 H ASP A 8 -9.883 -2.555 -2.217 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.716 -4.752 -0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.494 -3.569 -0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.214 -5.071 -0.122 1.00 0.00 H new ATOM 139 N SER A 9 -10.961 -5.330 -3.064 1.00 0.00 N ATOM 140 CA SER A 9 -11.393 -6.310 -4.065 1.00 0.00 C ATOM 141 C SER A 9 -12.849 -6.083 -4.464 1.00 0.00 C ATOM 142 O SER A 9 -13.247 -6.382 -5.589 1.00 0.00 O ATOM 143 CB SER A 9 -11.231 -7.741 -3.537 1.00 0.00 C ATOM 144 OG SER A 9 -11.379 -7.789 -2.128 1.00 0.00 O ATOM 0 H SER A 9 -11.557 -4.505 -3.002 1.00 0.00 H new ATOM 0 HA SER A 9 -10.759 -6.177 -4.942 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.971 -8.390 -4.005 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.249 -8.125 -3.815 1.00 0.00 H new ATOM 0 HG SER A 9 -10.508 -7.642 -1.702 1.00 0.00 H new ATOM 150 N ASN A 10 -13.639 -5.561 -3.533 1.00 0.00 N ATOM 151 CA ASN A 10 -15.054 -5.307 -3.784 1.00 0.00 C ATOM 152 C ASN A 10 -15.254 -4.056 -4.637 1.00 0.00 C ATOM 153 O ASN A 10 -16.120 -4.023 -5.510 1.00 0.00 O ATOM 154 CB ASN A 10 -15.805 -5.159 -2.460 1.00 0.00 C ATOM 155 CG ASN A 10 -17.268 -5.544 -2.577 1.00 0.00 C ATOM 156 OD1 ASN A 10 -17.693 -6.115 -3.582 1.00 0.00 O ATOM 157 ND2 ASN A 10 -18.047 -5.230 -1.548 1.00 0.00 N ATOM 0 H ASN A 10 -13.324 -5.305 -2.597 1.00 0.00 H new ATOM 0 HA ASN A 10 -15.453 -6.159 -4.334 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.328 -5.782 -1.703 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.730 -4.127 -2.117 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -19.040 -5.462 -1.571 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.652 -4.757 -0.735 1.00 0.00 H new ATOM 164 N ILE A 11 -14.454 -3.029 -4.372 1.00 0.00 N ATOM 165 CA ILE A 11 -14.550 -1.774 -5.111 1.00 0.00 C ATOM 166 C ILE A 11 -13.654 -1.779 -6.342 1.00 0.00 C ATOM 167 O ILE A 11 -14.074 -1.389 -7.431 1.00 0.00 O ATOM 168 CB ILE A 11 -14.166 -0.568 -4.233 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.694 -0.747 -2.811 1.00 0.00 C ATOM 170 CG2 ILE A 11 -14.705 0.717 -4.840 1.00 0.00 C ATOM 171 CD1 ILE A 11 -16.196 -0.912 -2.740 1.00 0.00 C ATOM 0 H ILE A 11 -13.732 -3.040 -3.652 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.591 -1.682 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.079 -0.505 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.219 -1.620 -2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -14.403 0.116 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.427 1.562 -4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.284 0.853 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.791 0.659 -4.910 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.500 -1.034 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.679 -0.029 -3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.493 -1.792 -3.311 1.00 0.00 H new ATOM 183 N HIS A 12 -12.414 -2.219 -6.162 1.00 0.00 N ATOM 184 CA HIS A 12 -11.460 -2.267 -7.257 1.00 0.00 C ATOM 185 C HIS A 12 -10.609 -3.531 -7.180 1.00 0.00 C ATOM 186 O HIS A 12 -10.351 -4.056 -6.097 1.00 0.00 O ATOM 187 CB HIS A 12 -10.573 -1.023 -7.232 1.00 0.00 C ATOM 188 CG HIS A 12 -9.911 -0.719 -8.542 1.00 0.00 C ATOM 189 ND1 HIS A 12 -8.607 -0.477 -8.825 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -10.584 -0.616 -9.739 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -8.472 -0.228 -10.189 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -9.687 -0.324 -10.691 1.00 0.00 N flip ATOM 0 H HIS A 12 -12.049 -2.547 -5.268 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.012 -2.288 -8.197 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.176 -0.165 -6.934 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.805 -1.153 -6.470 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -7.845 -0.477 -8.146 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -11.646 -0.747 -9.885 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.561 -0.003 -10.724 1.00 0.00 H new ATOM 200 N LYS A 13 -10.183 -4.013 -8.339 1.00 0.00 N ATOM 201 CA LYS A 13 -9.362 -5.218 -8.414 1.00 0.00 C ATOM 202 C LYS A 13 -7.918 -4.912 -8.032 1.00 0.00 C ATOM 203 O LYS A 13 -7.496 -3.757 -8.043 1.00 0.00 O ATOM 204 CB LYS A 13 -9.417 -5.817 -9.823 1.00 0.00 C ATOM 205 CG LYS A 13 -9.444 -7.338 -9.841 1.00 0.00 C ATOM 206 CD LYS A 13 -9.411 -7.880 -11.261 1.00 0.00 C ATOM 207 CE LYS A 13 -7.987 -8.139 -11.722 1.00 0.00 C ATOM 208 NZ LYS A 13 -7.948 -8.979 -12.950 1.00 0.00 N ATOM 0 H LYS A 13 -10.392 -3.589 -9.243 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.761 -5.945 -7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.303 -5.441 -10.334 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.552 -5.471 -10.389 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.591 -7.725 -9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.342 -7.693 -9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.986 -8.805 -11.313 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.890 -7.169 -11.935 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.489 -7.189 -11.916 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.431 -8.634 -10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.959 -9.134 -13.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.401 -9.895 -12.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.457 -8.496 -13.718 1.00 0.00 H new ATOM 222 N CYS A 14 -7.165 -5.955 -7.691 1.00 0.00 N ATOM 223 CA CYS A 14 -5.766 -5.790 -7.303 1.00 0.00 C ATOM 224 C CYS A 14 -5.105 -7.138 -7.034 1.00 0.00 C ATOM 225 O CYS A 14 -5.240 -7.703 -5.949 1.00 0.00 O ATOM 226 CB CYS A 14 -5.658 -4.902 -6.062 1.00 0.00 C ATOM 227 SG CYS A 14 -6.783 -5.364 -4.723 1.00 0.00 S ATOM 0 H CYS A 14 -7.498 -6.919 -7.675 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.245 -5.312 -8.132 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.634 -4.938 -5.690 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.857 -3.869 -6.349 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.707 -6.645 -4.515 1.00 0.00 H new ATOM 233 N VAL A 15 -4.383 -7.644 -8.029 1.00 0.00 N ATOM 234 CA VAL A 15 -3.692 -8.923 -7.904 1.00 0.00 C ATOM 235 C VAL A 15 -2.411 -8.776 -7.092 1.00 0.00 C ATOM 236 O VAL A 15 -2.012 -9.694 -6.373 1.00 0.00 O ATOM 237 CB VAL A 15 -3.339 -9.520 -9.281 1.00 0.00 C ATOM 238 CG1 VAL A 15 -4.573 -10.114 -9.939 1.00 0.00 C ATOM 239 CG2 VAL A 15 -2.702 -8.467 -10.175 1.00 0.00 C ATOM 0 H VAL A 15 -4.261 -7.187 -8.933 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.378 -9.597 -7.391 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.615 -10.321 -9.132 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.303 -10.530 -10.910 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.979 -10.903 -9.306 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.324 -9.335 -10.074 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.460 -8.908 -11.142 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.399 -7.641 -10.317 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.790 -8.096 -9.707 1.00 0.00 H new ATOM 249 N TYR A 16 -1.764 -7.621 -7.216 1.00 0.00 N ATOM 250 CA TYR A 16 -0.523 -7.362 -6.494 1.00 0.00 C ATOM 251 C TYR A 16 -0.769 -7.287 -4.992 1.00 0.00 C ATOM 252 O TYR A 16 0.117 -7.589 -4.193 1.00 0.00 O ATOM 253 CB TYR A 16 0.123 -6.066 -6.986 1.00 0.00 C ATOM 254 CG TYR A 16 1.194 -6.289 -8.029 1.00 0.00 C ATOM 255 CD1 TYR A 16 2.508 -6.545 -7.659 1.00 0.00 C ATOM 256 CD2 TYR A 16 0.890 -6.251 -9.384 1.00 0.00 C ATOM 257 CE1 TYR A 16 3.489 -6.756 -8.607 1.00 0.00 C ATOM 258 CE2 TYR A 16 1.866 -6.460 -10.339 1.00 0.00 C ATOM 259 CZ TYR A 16 3.163 -6.713 -9.946 1.00 0.00 C ATOM 260 OH TYR A 16 4.136 -6.925 -10.894 1.00 0.00 O ATOM 0 H TYR A 16 -2.077 -6.852 -7.808 1.00 0.00 H new ATOM 0 HA TYR A 16 0.157 -8.191 -6.689 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.649 -5.418 -7.401 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.557 -5.540 -6.136 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.767 -6.580 -6.611 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.125 -6.055 -9.696 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.506 -6.954 -8.302 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.614 -6.425 -11.389 1.00 0.00 H new ATOM 0 HH TYR A 16 3.741 -6.862 -11.788 1.00 0.00 H new ATOM 270 N CYS A 17 -1.976 -6.886 -4.612 1.00 0.00 N ATOM 271 CA CYS A 17 -2.332 -6.781 -3.205 1.00 0.00 C ATOM 272 C CYS A 17 -2.265 -8.148 -2.535 1.00 0.00 C ATOM 273 O CYS A 17 -1.695 -8.296 -1.455 1.00 0.00 O ATOM 274 CB CYS A 17 -3.735 -6.192 -3.051 1.00 0.00 C ATOM 275 SG CYS A 17 -4.220 -5.886 -1.336 1.00 0.00 S ATOM 0 H CYS A 17 -2.722 -6.629 -5.258 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.617 -6.117 -2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.787 -5.255 -3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.455 -6.872 -3.506 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.167 -4.610 -1.091 1.00 0.00 H new ATOM 281 N ASP A 18 -2.848 -9.146 -3.190 1.00 0.00 N ATOM 282 CA ASP A 18 -2.857 -10.507 -2.665 1.00 0.00 C ATOM 283 C ASP A 18 -1.437 -11.028 -2.469 1.00 0.00 C ATOM 284 O ASP A 18 -1.180 -11.836 -1.575 1.00 0.00 O ATOM 285 CB ASP A 18 -3.624 -11.433 -3.609 1.00 0.00 C ATOM 286 CG ASP A 18 -4.065 -12.713 -2.929 1.00 0.00 C ATOM 287 OD1 ASP A 18 -5.112 -12.694 -2.249 1.00 0.00 O ATOM 288 OD2 ASP A 18 -3.363 -13.736 -3.078 1.00 0.00 O ATOM 0 H ASP A 18 -3.321 -9.038 -4.087 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.354 -10.491 -1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.499 -10.910 -3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.995 -11.677 -4.465 1.00 0.00 H new ATOM 293 N ASN A 19 -0.518 -10.564 -3.311 1.00 0.00 N ATOM 294 CA ASN A 19 0.874 -10.988 -3.229 1.00 0.00 C ATOM 295 C ASN A 19 1.553 -10.397 -1.996 1.00 0.00 C ATOM 296 O ASN A 19 2.131 -11.124 -1.188 1.00 0.00 O ATOM 297 CB ASN A 19 1.635 -10.578 -4.493 1.00 0.00 C ATOM 298 CG ASN A 19 0.894 -10.944 -5.769 1.00 0.00 C ATOM 299 OD1 ASN A 19 0.960 -10.224 -6.763 1.00 0.00 O ATOM 300 ND2 ASN A 19 0.189 -12.071 -5.749 1.00 0.00 N ATOM 0 H ASN A 19 -0.713 -9.895 -4.056 1.00 0.00 H new ATOM 0 HA ASN A 19 0.889 -12.075 -3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.809 -9.502 -4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.613 -11.059 -4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.324 -12.367 -6.580 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.161 -12.640 -4.903 1.00 0.00 H new ATOM 307 N ALA A 20 1.476 -9.076 -1.852 1.00 0.00 N ATOM 308 CA ALA A 20 2.083 -8.395 -0.713 1.00 0.00 C ATOM 309 C ALA A 20 1.594 -8.991 0.602 1.00 0.00 C ATOM 310 O ALA A 20 2.389 -9.316 1.483 1.00 0.00 O ATOM 311 CB ALA A 20 1.776 -6.905 -0.764 1.00 0.00 C ATOM 0 H ALA A 20 1.000 -8.458 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 20 3.163 -8.534 -0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.235 -6.409 0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.176 -6.482 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.697 -6.755 -0.734 1.00 0.00 H new ATOM 317 N LYS A 21 0.280 -9.139 0.723 1.00 0.00 N ATOM 318 CA LYS A 21 -0.317 -9.705 1.927 1.00 0.00 C ATOM 319 C LYS A 21 0.194 -11.121 2.165 1.00 0.00 C ATOM 320 O LYS A 21 0.640 -11.455 3.264 1.00 0.00 O ATOM 321 CB LYS A 21 -1.842 -9.709 1.813 1.00 0.00 C ATOM 322 CG LYS A 21 -2.554 -9.788 3.154 1.00 0.00 C ATOM 323 CD LYS A 21 -3.844 -10.584 3.054 1.00 0.00 C ATOM 324 CE LYS A 21 -4.884 -9.856 2.217 1.00 0.00 C ATOM 325 NZ LYS A 21 -4.980 -8.415 2.579 1.00 0.00 N ATOM 0 H LYS A 21 -0.392 -8.875 0.003 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.029 -9.085 2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.161 -8.805 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.149 -10.555 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.896 -10.251 3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.773 -8.782 3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.638 -11.559 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.240 -10.764 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.630 -9.949 1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.856 -10.330 2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.924 -8.057 2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.824 -8.303 3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.258 -7.877 2.058 1.00 0.00 H new ATOM 339 N ARG A 22 0.133 -11.950 1.127 1.00 0.00 N ATOM 340 CA ARG A 22 0.600 -13.328 1.224 1.00 0.00 C ATOM 341 C ARG A 22 2.079 -13.359 1.587 1.00 0.00 C ATOM 342 O ARG A 22 2.508 -14.145 2.432 1.00 0.00 O ATOM 343 CB ARG A 22 0.368 -14.067 -0.096 1.00 0.00 C ATOM 344 CG ARG A 22 0.630 -15.561 -0.011 1.00 0.00 C ATOM 345 CD ARG A 22 -0.617 -16.322 0.412 1.00 0.00 C ATOM 346 NE ARG A 22 -1.292 -16.943 -0.726 1.00 0.00 N ATOM 347 CZ ARG A 22 -0.900 -18.082 -1.291 1.00 0.00 C ATOM 348 NH1 ARG A 22 0.163 -18.730 -0.828 1.00 0.00 N ATOM 349 NH2 ARG A 22 -1.572 -18.577 -2.321 1.00 0.00 N ATOM 0 H ARG A 22 -0.234 -11.692 0.211 1.00 0.00 H new ATOM 0 HA ARG A 22 0.033 -13.830 2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.661 -13.905 -0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.013 -13.636 -0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.970 -15.928 -0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.433 -15.751 0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.345 -17.090 1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.304 -15.641 0.914 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.113 -16.475 -1.110 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.684 -18.355 -0.035 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.459 -19.603 -1.265 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.390 -18.085 -2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.271 -19.450 -2.754 1.00 0.00 H new ATOM 363 N LEU A 23 2.850 -12.481 0.952 1.00 0.00 N ATOM 364 CA LEU A 23 4.282 -12.384 1.211 1.00 0.00 C ATOM 365 C LEU A 23 4.528 -12.113 2.689 1.00 0.00 C ATOM 366 O LEU A 23 5.267 -12.840 3.353 1.00 0.00 O ATOM 367 CB LEU A 23 4.891 -11.266 0.354 1.00 0.00 C ATOM 368 CG LEU A 23 6.250 -10.732 0.820 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.999 -10.104 -0.342 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.073 -9.717 1.941 1.00 0.00 C ATOM 0 H LEU A 23 2.505 -11.824 0.252 1.00 0.00 H new ATOM 0 HA LEU A 23 4.758 -13.328 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.997 -11.634 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.187 -10.434 0.322 1.00 0.00 H new ATOM 0 HG LEU A 23 6.834 -11.570 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.962 -9.730 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.159 -10.852 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.414 -9.279 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.050 -9.350 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.470 -8.882 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.573 -10.191 2.785 1.00 0.00 H new ATOM 382 N LEU A 24 3.896 -11.060 3.197 1.00 0.00 N ATOM 383 CA LEU A 24 4.036 -10.684 4.597 1.00 0.00 C ATOM 384 C LEU A 24 3.639 -11.842 5.503 1.00 0.00 C ATOM 385 O LEU A 24 4.313 -12.132 6.491 1.00 0.00 O ATOM 386 CB LEU A 24 3.181 -9.457 4.904 1.00 0.00 C ATOM 387 CG LEU A 24 3.764 -8.133 4.412 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.657 -7.155 4.062 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.686 -7.540 5.464 1.00 0.00 C ATOM 0 H LEU A 24 3.281 -10.451 2.657 1.00 0.00 H new ATOM 0 HA LEU A 24 5.081 -10.439 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.198 -9.595 4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.033 -9.395 5.982 1.00 0.00 H new ATOM 0 HG LEU A 24 4.344 -8.326 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.095 -6.219 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.033 -7.578 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.047 -6.964 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.094 -6.597 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.125 -7.363 6.381 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.501 -8.234 5.666 1.00 0.00 H new ATOM 401 N THR A 25 2.545 -12.513 5.150 1.00 0.00 N ATOM 402 CA THR A 25 2.072 -13.651 5.924 1.00 0.00 C ATOM 403 C THR A 25 3.154 -14.724 5.973 1.00 0.00 C ATOM 404 O THR A 25 3.362 -15.371 6.999 1.00 0.00 O ATOM 405 CB THR A 25 0.793 -14.221 5.308 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.154 -13.194 5.079 1.00 0.00 O ATOM 407 CG2 THR A 25 0.131 -15.274 6.170 1.00 0.00 C ATOM 0 H THR A 25 1.974 -12.287 4.336 1.00 0.00 H new ATOM 0 HA THR A 25 1.849 -13.320 6.938 1.00 0.00 H new ATOM 0 HB THR A 25 1.105 -14.685 4.372 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.008 -12.806 4.191 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.770 -15.636 5.675 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.820 -16.105 6.323 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.134 -14.841 7.134 1.00 0.00 H new ATOM 415 N VAL A 26 3.852 -14.887 4.853 1.00 0.00 N ATOM 416 CA VAL A 26 4.932 -15.860 4.748 1.00 0.00 C ATOM 417 C VAL A 26 6.182 -15.347 5.452 1.00 0.00 C ATOM 418 O VAL A 26 6.944 -16.120 6.034 1.00 0.00 O ATOM 419 CB VAL A 26 5.268 -16.162 3.273 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.323 -17.252 3.171 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.013 -16.551 2.509 1.00 0.00 C ATOM 0 H VAL A 26 3.686 -14.353 4.000 1.00 0.00 H new ATOM 0 HA VAL A 26 4.594 -16.779 5.228 1.00 0.00 H new ATOM 0 HB VAL A 26 5.675 -15.257 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.544 -17.448 2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.232 -16.928 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.951 -18.163 3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.269 -16.760 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.573 -17.440 2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.295 -15.732 2.547 1.00 0.00 H new ATOM 431 N LYS A 27 6.382 -14.033 5.397 1.00 0.00 N ATOM 432 CA LYS A 27 7.531 -13.403 6.036 1.00 0.00 C ATOM 433 C LYS A 27 7.333 -13.317 7.550 1.00 0.00 C ATOM 434 O LYS A 27 8.258 -12.973 8.285 1.00 0.00 O ATOM 435 CB LYS A 27 7.757 -12.000 5.460 1.00 0.00 C ATOM 436 CG LYS A 27 8.977 -11.893 4.552 1.00 0.00 C ATOM 437 CD LYS A 27 8.587 -11.540 3.124 1.00 0.00 C ATOM 438 CE LYS A 27 9.153 -12.540 2.127 1.00 0.00 C ATOM 439 NZ LYS A 27 8.335 -13.782 2.058 1.00 0.00 N ATOM 0 H LYS A 27 5.761 -13.383 4.915 1.00 0.00 H new ATOM 0 HA LYS A 27 8.409 -14.017 5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.872 -11.702 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.866 -11.294 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.655 -11.134 4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.519 -12.839 4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.501 -11.515 3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.949 -10.540 2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.199 -12.081 1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.175 -12.794 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.899 -14.546 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.041 -14.058 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.492 -13.610 1.474 1.00 0.00 H new ATOM 453 N LYS A 28 6.118 -13.620 8.007 1.00 0.00 N ATOM 454 CA LYS A 28 5.798 -13.567 9.431 1.00 0.00 C ATOM 455 C LYS A 28 5.887 -12.134 9.944 1.00 0.00 C ATOM 456 O LYS A 28 6.558 -11.857 10.938 1.00 0.00 O ATOM 457 CB LYS A 28 6.739 -14.475 10.227 1.00 0.00 C ATOM 458 CG LYS A 28 6.186 -15.872 10.459 1.00 0.00 C ATOM 459 CD LYS A 28 5.661 -16.037 11.877 1.00 0.00 C ATOM 460 CE LYS A 28 4.239 -15.513 12.010 1.00 0.00 C ATOM 461 NZ LYS A 28 4.036 -14.777 13.288 1.00 0.00 N ATOM 0 H LYS A 28 5.341 -13.904 7.411 1.00 0.00 H new ATOM 0 HA LYS A 28 4.777 -13.922 9.567 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.689 -14.553 9.698 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.948 -14.011 11.191 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.384 -16.069 9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.967 -16.609 10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.689 -17.090 12.156 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.312 -15.506 12.571 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.015 -14.853 11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.538 -16.346 11.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.055 -14.436 13.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.225 -15.413 14.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.687 -13.967 13.329 1.00 0.00 H new ATOM 475 N GLN A 29 5.206 -11.223 9.255 1.00 0.00 N ATOM 476 CA GLN A 29 5.217 -9.818 9.636 1.00 0.00 C ATOM 477 C GLN A 29 3.851 -9.172 9.420 1.00 0.00 C ATOM 478 O GLN A 29 3.400 -9.030 8.283 1.00 0.00 O ATOM 479 CB GLN A 29 6.272 -9.063 8.827 1.00 0.00 C ATOM 480 CG GLN A 29 7.676 -9.182 9.396 1.00 0.00 C ATOM 481 CD GLN A 29 7.765 -8.706 10.833 1.00 0.00 C ATOM 482 OE1 GLN A 29 7.986 -7.524 11.095 1.00 0.00 O ATOM 483 NE2 GLN A 29 7.595 -9.628 11.773 1.00 0.00 N ATOM 0 H GLN A 29 4.641 -11.434 8.432 1.00 0.00 H new ATOM 0 HA GLN A 29 5.459 -9.763 10.697 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.271 -9.439 7.804 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.996 -8.010 8.780 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.000 -10.221 9.341 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.364 -8.601 8.781 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.414 -10.597 11.510 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.646 -9.368 12.758 1.00 0.00 H new ATOM 492 N PRO A 30 3.172 -8.758 10.506 1.00 0.00 N ATOM 493 CA PRO A 30 1.862 -8.108 10.412 1.00 0.00 C ATOM 494 C PRO A 30 1.859 -6.981 9.396 1.00 0.00 C ATOM 495 O PRO A 30 2.892 -6.660 8.807 1.00 0.00 O ATOM 496 CB PRO A 30 1.658 -7.532 11.815 1.00 0.00 C ATOM 497 CG PRO A 30 2.425 -8.440 12.703 1.00 0.00 C ATOM 498 CD PRO A 30 3.628 -8.875 11.907 1.00 0.00 C ATOM 0 HA PRO A 30 1.084 -8.801 10.093 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.025 -6.508 11.881 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.602 -7.510 12.086 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.726 -7.930 13.618 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.822 -9.298 13.000 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.491 -8.239 12.103 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.923 -9.896 12.150 1.00 0.00 H new ATOM 506 N PHE A 31 0.703 -6.360 9.215 1.00 0.00 N ATOM 507 CA PHE A 31 0.586 -5.238 8.298 1.00 0.00 C ATOM 508 C PHE A 31 -0.699 -4.459 8.551 1.00 0.00 C ATOM 509 O PHE A 31 -1.570 -4.899 9.302 1.00 0.00 O ATOM 510 CB PHE A 31 0.646 -5.704 6.848 1.00 0.00 C ATOM 511 CG PHE A 31 -0.167 -6.927 6.594 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.305 -8.169 6.973 1.00 0.00 C ATOM 513 CD2 PHE A 31 -1.401 -6.833 5.988 1.00 0.00 C ATOM 514 CE1 PHE A 31 -0.442 -9.303 6.750 1.00 0.00 C ATOM 515 CE2 PHE A 31 -2.159 -7.962 5.759 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.680 -9.203 6.141 1.00 0.00 C ATOM 0 H PHE A 31 -0.164 -6.613 9.689 1.00 0.00 H new ATOM 0 HA PHE A 31 1.432 -4.575 8.479 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.296 -4.901 6.200 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.683 -5.902 6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.271 -8.251 7.449 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.778 -5.866 5.690 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.063 -10.269 7.050 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.125 -7.878 5.282 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.270 -10.090 5.964 1.00 0.00 H new ATOM 526 N GLU A 32 -0.813 -3.308 7.906 1.00 0.00 N ATOM 527 CA GLU A 32 -1.993 -2.461 8.041 1.00 0.00 C ATOM 528 C GLU A 32 -2.458 -1.972 6.673 1.00 0.00 C ATOM 529 O GLU A 32 -1.769 -1.195 6.017 1.00 0.00 O ATOM 530 CB GLU A 32 -1.692 -1.267 8.949 1.00 0.00 C ATOM 531 CG GLU A 32 -2.918 -0.723 9.665 1.00 0.00 C ATOM 532 CD GLU A 32 -3.357 -1.602 10.818 1.00 0.00 C ATOM 533 OE1 GLU A 32 -2.514 -2.364 11.338 1.00 0.00 O ATOM 534 OE2 GLU A 32 -4.543 -1.531 11.201 1.00 0.00 O ATOM 0 H GLU A 32 -0.099 -2.936 7.280 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.790 -3.053 8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.950 -1.563 9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.247 -0.471 8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.702 0.278 10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.738 -0.628 8.953 1.00 0.00 H new ATOM 541 N PHE A 33 -3.624 -2.440 6.241 1.00 0.00 N ATOM 542 CA PHE A 33 -4.163 -2.054 4.947 1.00 0.00 C ATOM 543 C PHE A 33 -5.016 -0.798 5.044 1.00 0.00 C ATOM 544 O PHE A 33 -5.557 -0.473 6.100 1.00 0.00 O ATOM 545 CB PHE A 33 -4.992 -3.194 4.361 1.00 0.00 C ATOM 546 CG PHE A 33 -5.043 -3.164 2.868 1.00 0.00 C ATOM 547 CD1 PHE A 33 -3.940 -3.538 2.128 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.184 -2.746 2.206 1.00 0.00 C ATOM 549 CE1 PHE A 33 -3.969 -3.501 0.748 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.221 -2.701 0.825 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.110 -3.080 0.095 1.00 0.00 C ATOM 0 H PHE A 33 -4.211 -3.086 6.769 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.319 -1.839 4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.574 -4.146 4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.006 -3.140 4.756 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.043 -3.864 2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.054 -2.452 2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.100 -3.801 0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.115 -2.371 0.318 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.135 -3.047 -0.984 1.00 0.00 H new ATOM 561 N ILE A 34 -5.130 -0.103 3.919 1.00 0.00 N ATOM 562 CA ILE A 34 -5.912 1.117 3.831 1.00 0.00 C ATOM 563 C ILE A 34 -6.462 1.276 2.423 1.00 0.00 C ATOM 564 O ILE A 34 -5.716 1.246 1.443 1.00 0.00 O ATOM 565 CB ILE A 34 -5.077 2.362 4.180 1.00 0.00 C ATOM 566 CG1 ILE A 34 -4.360 2.178 5.519 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.958 3.601 4.214 1.00 0.00 C ATOM 568 CD1 ILE A 34 -3.299 3.224 5.778 1.00 0.00 C ATOM 0 H ILE A 34 -4.681 -0.372 3.043 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.725 1.034 4.553 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.322 2.494 3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.095 2.208 6.324 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.900 1.190 5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.352 4.472 4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.419 3.746 3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.736 3.474 4.967 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.830 3.035 6.744 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.544 3.179 4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.757 4.213 5.784 1.00 0.00 H new ATOM 580 N ASN A 35 -7.768 1.436 2.330 1.00 0.00 N ATOM 581 CA ASN A 35 -8.429 1.592 1.042 1.00 0.00 C ATOM 582 C ASN A 35 -8.481 3.057 0.628 1.00 0.00 C ATOM 583 O ASN A 35 -8.963 3.908 1.376 1.00 0.00 O ATOM 584 CB ASN A 35 -9.843 1.011 1.095 1.00 0.00 C ATOM 585 CG ASN A 35 -10.641 1.530 2.274 1.00 0.00 C ATOM 586 OD1 ASN A 35 -10.499 1.044 3.396 1.00 0.00 O ATOM 587 ND2 ASN A 35 -11.490 2.520 2.025 1.00 0.00 N ATOM 0 H ASN A 35 -8.397 1.462 3.132 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.849 1.046 0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.367 1.254 0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.784 -0.076 1.151 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.057 2.908 2.779 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.576 2.893 1.079 1.00 0.00 H new ATOM 594 N ILE A 36 -7.985 3.341 -0.571 1.00 0.00 N ATOM 595 CA ILE A 36 -7.978 4.701 -1.094 1.00 0.00 C ATOM 596 C ILE A 36 -9.204 4.957 -1.966 1.00 0.00 C ATOM 597 O ILE A 36 -9.227 5.895 -2.762 1.00 0.00 O ATOM 598 CB ILE A 36 -6.704 4.979 -1.914 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.662 4.091 -3.161 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.473 4.748 -1.055 1.00 0.00 C ATOM 601 CD1 ILE A 36 -5.562 4.464 -4.131 1.00 0.00 C ATOM 0 H ILE A 36 -7.582 2.646 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.000 5.374 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.716 6.020 -2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.529 3.054 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.623 4.151 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.577 4.947 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.499 5.417 -0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.459 3.714 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.592 3.794 -4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.706 5.491 -4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.595 4.376 -3.636 1.00 0.00 H new ATOM 613 N MET A 37 -10.219 4.116 -1.807 1.00 0.00 N ATOM 614 CA MET A 37 -11.445 4.240 -2.576 1.00 0.00 C ATOM 615 C MET A 37 -12.603 3.549 -1.854 1.00 0.00 C ATOM 616 O MET A 37 -12.843 2.358 -2.050 1.00 0.00 O ATOM 617 CB MET A 37 -11.250 3.648 -3.980 1.00 0.00 C ATOM 618 CG MET A 37 -12.547 3.281 -4.693 1.00 0.00 C ATOM 619 SD MET A 37 -12.642 3.929 -6.377 1.00 0.00 S ATOM 620 CE MET A 37 -10.958 3.703 -6.941 1.00 0.00 C ATOM 0 H MET A 37 -10.214 3.338 -1.148 1.00 0.00 H new ATOM 0 HA MET A 37 -11.690 5.297 -2.676 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.704 4.366 -4.592 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.627 2.757 -3.902 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.643 2.196 -4.722 1.00 0.00 H new ATOM 0 HG3 MET A 37 -13.391 3.660 -4.117 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.932 3.733 -8.030 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.330 4.500 -6.541 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.585 2.739 -6.595 1.00 0.00 H new ATOM 630 N PRO A 38 -13.336 4.290 -1.003 1.00 0.00 N ATOM 631 CA PRO A 38 -14.470 3.740 -0.252 1.00 0.00 C ATOM 632 C PRO A 38 -15.619 3.336 -1.167 1.00 0.00 C ATOM 633 O PRO A 38 -16.446 2.496 -0.814 1.00 0.00 O ATOM 634 CB PRO A 38 -14.894 4.893 0.661 1.00 0.00 C ATOM 635 CG PRO A 38 -14.391 6.121 -0.014 1.00 0.00 C ATOM 636 CD PRO A 38 -13.119 5.717 -0.704 1.00 0.00 C ATOM 0 HA PRO A 38 -14.199 2.834 0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.977 4.924 0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.465 4.786 1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.120 6.501 -0.730 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.208 6.917 0.708 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.951 6.297 -1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.249 5.867 -0.065 1.00 0.00 H new ATOM 644 N GLU A 39 -15.661 3.942 -2.349 1.00 0.00 N ATOM 645 CA GLU A 39 -16.700 3.649 -3.324 1.00 0.00 C ATOM 646 C GLU A 39 -16.105 3.593 -4.723 1.00 0.00 C ATOM 647 O GLU A 39 -15.191 4.349 -5.047 1.00 0.00 O ATOM 648 CB GLU A 39 -17.804 4.705 -3.266 1.00 0.00 C ATOM 649 CG GLU A 39 -18.906 4.378 -2.273 1.00 0.00 C ATOM 650 CD GLU A 39 -19.981 3.489 -2.867 1.00 0.00 C ATOM 651 OE1 GLU A 39 -19.677 2.317 -3.176 1.00 0.00 O ATOM 652 OE2 GLU A 39 -21.126 3.963 -3.024 1.00 0.00 O ATOM 0 H GLU A 39 -14.984 4.641 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.135 2.679 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.363 5.666 -3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -18.242 4.816 -4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.472 3.885 -1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.359 5.305 -1.921 1.00 0.00 H new ATOM 659 N LYS A 40 -16.623 2.693 -5.550 1.00 0.00 N ATOM 660 CA LYS A 40 -16.128 2.544 -6.912 1.00 0.00 C ATOM 661 C LYS A 40 -16.379 3.792 -7.746 1.00 0.00 C ATOM 662 O LYS A 40 -15.909 3.910 -8.877 1.00 0.00 O ATOM 663 CB LYS A 40 -16.749 1.320 -7.586 1.00 0.00 C ATOM 664 CG LYS A 40 -15.948 0.810 -8.774 1.00 0.00 C ATOM 665 CD LYS A 40 -16.246 -0.653 -9.060 1.00 0.00 C ATOM 666 CE LYS A 40 -17.508 -0.814 -9.890 1.00 0.00 C ATOM 667 NZ LYS A 40 -18.213 -2.090 -9.588 1.00 0.00 N ATOM 0 H LYS A 40 -17.382 2.058 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.049 2.400 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -16.844 0.520 -6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.757 1.570 -7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.180 1.409 -9.655 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -14.883 0.934 -8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.403 -1.100 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -16.357 -1.193 -8.120 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.178 0.025 -9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -17.252 -0.783 -10.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.068 -2.161 -10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.584 -2.892 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.480 -2.110 -8.583 1.00 0.00 H new ATOM 681 N GLY A 41 -17.126 4.707 -7.173 1.00 0.00 N ATOM 682 CA GLY A 41 -17.457 5.946 -7.849 1.00 0.00 C ATOM 683 C GLY A 41 -16.368 6.997 -7.738 1.00 0.00 C ATOM 684 O GLY A 41 -16.119 7.738 -8.689 1.00 0.00 O ATOM 0 H GLY A 41 -17.519 4.619 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.647 5.738 -8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.382 6.345 -7.431 1.00 0.00 H new ATOM 688 N VAL A 42 -15.719 7.074 -6.577 1.00 0.00 N ATOM 689 CA VAL A 42 -14.664 8.062 -6.370 1.00 0.00 C ATOM 690 C VAL A 42 -13.607 7.577 -5.381 1.00 0.00 C ATOM 691 O VAL A 42 -13.886 6.778 -4.488 1.00 0.00 O ATOM 692 CB VAL A 42 -15.245 9.395 -5.863 1.00 0.00 C ATOM 693 CG1 VAL A 42 -14.165 10.466 -5.813 1.00 0.00 C ATOM 694 CG2 VAL A 42 -16.405 9.837 -6.741 1.00 0.00 C ATOM 0 H VAL A 42 -15.903 6.471 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.191 8.212 -7.340 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.620 9.246 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.595 11.400 -5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.369 10.149 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -13.756 10.617 -6.812 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.804 10.781 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.056 9.969 -7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.187 9.078 -6.719 1.00 0.00 H new ATOM 704 N PHE A 43 -12.387 8.077 -5.556 1.00 0.00 N ATOM 705 CA PHE A 43 -11.268 7.719 -4.694 1.00 0.00 C ATOM 706 C PHE A 43 -11.368 8.413 -3.338 1.00 0.00 C ATOM 707 O PHE A 43 -12.167 9.331 -3.152 1.00 0.00 O ATOM 708 CB PHE A 43 -9.949 8.113 -5.359 1.00 0.00 C ATOM 709 CG PHE A 43 -9.541 7.209 -6.482 1.00 0.00 C ATOM 710 CD1 PHE A 43 -10.156 7.298 -7.722 1.00 0.00 C ATOM 711 CD2 PHE A 43 -8.536 6.276 -6.301 1.00 0.00 C ATOM 712 CE1 PHE A 43 -9.774 6.469 -8.759 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.151 5.445 -7.334 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.770 5.541 -8.565 1.00 0.00 C ATOM 0 H PHE A 43 -12.148 8.738 -6.295 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.301 6.641 -4.538 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.035 9.131 -5.738 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.161 8.119 -4.606 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.941 8.023 -7.878 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.047 6.197 -5.341 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.260 6.547 -9.720 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.366 4.720 -7.180 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.469 4.892 -9.374 1.00 0.00 H new ATOM 724 N ASP A 44 -10.527 7.980 -2.407 1.00 0.00 N ATOM 725 CA ASP A 44 -10.489 8.552 -1.067 1.00 0.00 C ATOM 726 C ASP A 44 -9.420 9.635 -0.972 1.00 0.00 C ATOM 727 O ASP A 44 -8.229 9.336 -0.879 1.00 0.00 O ATOM 728 CB ASP A 44 -10.203 7.460 -0.036 1.00 0.00 C ATOM 729 CG ASP A 44 -10.856 7.742 1.303 1.00 0.00 C ATOM 730 OD1 ASP A 44 -10.591 8.820 1.875 1.00 0.00 O ATOM 731 OD2 ASP A 44 -11.632 6.888 1.779 1.00 0.00 O ATOM 0 H ASP A 44 -9.856 7.227 -2.558 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.461 8.999 -0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.560 6.503 -0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.126 7.367 0.101 1.00 0.00 H new ATOM 736 N ASP A 45 -9.847 10.891 -0.989 1.00 0.00 N ATOM 737 CA ASP A 45 -8.917 12.011 -0.897 1.00 0.00 C ATOM 738 C ASP A 45 -8.299 12.094 0.497 1.00 0.00 C ATOM 739 O ASP A 45 -7.238 12.688 0.677 1.00 0.00 O ATOM 740 CB ASP A 45 -9.628 13.324 -1.232 1.00 0.00 C ATOM 741 CG ASP A 45 -8.676 14.376 -1.763 1.00 0.00 C ATOM 742 OD1 ASP A 45 -7.607 14.574 -1.148 1.00 0.00 O ATOM 743 OD2 ASP A 45 -8.998 15.003 -2.795 1.00 0.00 O ATOM 0 H ASP A 45 -10.828 11.160 -1.065 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.118 11.845 -1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.406 13.135 -1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.124 13.704 -0.339 1.00 0.00 H new ATOM 748 N GLU A 46 -8.970 11.500 1.481 1.00 0.00 N ATOM 749 CA GLU A 46 -8.481 11.512 2.856 1.00 0.00 C ATOM 750 C GLU A 46 -7.202 10.689 2.992 1.00 0.00 C ATOM 751 O GLU A 46 -6.169 11.199 3.427 1.00 0.00 O ATOM 752 CB GLU A 46 -9.552 10.972 3.806 1.00 0.00 C ATOM 753 CG GLU A 46 -10.890 11.680 3.676 1.00 0.00 C ATOM 754 CD GLU A 46 -12.029 10.895 4.296 1.00 0.00 C ATOM 755 OE1 GLU A 46 -12.171 9.697 3.972 1.00 0.00 O ATOM 756 OE2 GLU A 46 -12.782 11.479 5.105 1.00 0.00 O ATOM 0 H GLU A 46 -9.852 11.005 1.351 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.255 12.544 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.693 9.908 3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.198 11.067 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.827 12.658 4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.104 11.852 2.621 1.00 0.00 H new ATOM 763 N LYS A 47 -7.278 9.417 2.616 1.00 0.00 N ATOM 764 CA LYS A 47 -6.124 8.531 2.693 1.00 0.00 C ATOM 765 C LYS A 47 -5.080 8.921 1.652 1.00 0.00 C ATOM 766 O LYS A 47 -3.877 8.837 1.901 1.00 0.00 O ATOM 767 CB LYS A 47 -6.552 7.077 2.491 1.00 0.00 C ATOM 768 CG LYS A 47 -7.223 6.465 3.710 1.00 0.00 C ATOM 769 CD LYS A 47 -8.447 7.262 4.132 1.00 0.00 C ATOM 770 CE LYS A 47 -9.262 6.519 5.177 1.00 0.00 C ATOM 771 NZ LYS A 47 -10.249 7.410 5.847 1.00 0.00 N ATOM 0 H LYS A 47 -8.125 8.978 2.256 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.681 8.630 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.236 7.023 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.676 6.482 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.515 5.438 3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.512 6.424 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.134 8.227 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.069 7.464 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.785 5.687 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.592 6.092 5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.785 6.866 6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.748 8.190 6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.904 7.797 5.138 1.00 0.00 H new ATOM 785 N ILE A 48 -5.550 9.355 0.491 1.00 0.00 N ATOM 786 CA ILE A 48 -4.661 9.771 -0.585 1.00 0.00 C ATOM 787 C ILE A 48 -3.977 11.092 -0.231 1.00 0.00 C ATOM 788 O ILE A 48 -2.883 11.385 -0.714 1.00 0.00 O ATOM 789 CB ILE A 48 -5.435 9.926 -1.917 1.00 0.00 C ATOM 790 CG1 ILE A 48 -5.808 8.555 -2.487 1.00 0.00 C ATOM 791 CG2 ILE A 48 -4.624 10.718 -2.934 1.00 0.00 C ATOM 792 CD1 ILE A 48 -7.055 8.578 -3.342 1.00 0.00 C ATOM 0 H ILE A 48 -6.543 9.428 0.270 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.904 8.997 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.351 10.478 -1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.976 8.179 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.954 7.855 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.192 10.811 -3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.412 11.711 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.686 10.200 -3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.260 7.574 -3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -7.899 8.924 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.906 9.253 -4.185 1.00 0.00 H new ATOM 804 N ALA A 49 -4.630 11.887 0.615 1.00 0.00 N ATOM 805 CA ALA A 49 -4.086 13.175 1.029 1.00 0.00 C ATOM 806 C ALA A 49 -2.845 12.999 1.897 1.00 0.00 C ATOM 807 O ALA A 49 -1.784 13.544 1.596 1.00 0.00 O ATOM 808 CB ALA A 49 -5.140 13.979 1.777 1.00 0.00 C ATOM 0 H ALA A 49 -5.536 11.660 1.026 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.795 13.719 0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.719 14.938 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.998 14.148 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.459 13.427 2.661 1.00 0.00 H new ATOM 814 N GLU A 50 -2.985 12.240 2.982 1.00 0.00 N ATOM 815 CA GLU A 50 -1.870 12.002 3.890 1.00 0.00 C ATOM 816 C GLU A 50 -0.699 11.358 3.154 1.00 0.00 C ATOM 817 O GLU A 50 0.462 11.654 3.435 1.00 0.00 O ATOM 818 CB GLU A 50 -2.310 11.127 5.069 1.00 0.00 C ATOM 819 CG GLU A 50 -2.496 9.659 4.715 1.00 0.00 C ATOM 820 CD GLU A 50 -3.307 8.909 5.754 1.00 0.00 C ATOM 821 OE1 GLU A 50 -4.457 9.318 6.018 1.00 0.00 O ATOM 822 OE2 GLU A 50 -2.792 7.912 6.303 1.00 0.00 O ATOM 0 H GLU A 50 -3.856 11.782 3.251 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.540 12.965 4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.569 11.207 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.247 11.516 5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.991 9.582 3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.519 9.187 4.611 1.00 0.00 H new ATOM 829 N LEU A 51 -1.011 10.486 2.198 1.00 0.00 N ATOM 830 CA LEU A 51 0.018 9.812 1.416 1.00 0.00 C ATOM 831 C LEU A 51 0.930 10.831 0.741 1.00 0.00 C ATOM 832 O LEU A 51 2.154 10.751 0.847 1.00 0.00 O ATOM 833 CB LEU A 51 -0.630 8.903 0.368 1.00 0.00 C ATOM 834 CG LEU A 51 0.305 8.395 -0.731 1.00 0.00 C ATOM 835 CD1 LEU A 51 1.607 7.886 -0.133 1.00 0.00 C ATOM 836 CD2 LEU A 51 -0.374 7.301 -1.539 1.00 0.00 C ATOM 0 H LEU A 51 -1.966 10.231 1.948 1.00 0.00 H new ATOM 0 HA LEU A 51 0.622 9.202 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.065 8.043 0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.452 9.445 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 51 0.537 9.225 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.259 7.529 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.101 8.695 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.396 7.068 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.304 6.950 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.633 6.471 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.280 7.697 -1.998 1.00 0.00 H new ATOM 848 N LEU A 52 0.324 11.797 0.056 1.00 0.00 N ATOM 849 CA LEU A 52 1.074 12.838 -0.627 1.00 0.00 C ATOM 850 C LEU A 52 2.047 13.530 0.316 1.00 0.00 C ATOM 851 O LEU A 52 3.219 13.721 -0.009 1.00 0.00 O ATOM 852 CB LEU A 52 0.111 13.831 -1.212 1.00 0.00 C ATOM 853 CG LEU A 52 -0.658 13.272 -2.391 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.659 14.278 -2.847 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.290 12.896 -3.518 1.00 0.00 C ATOM 0 H LEU A 52 -0.688 11.877 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 52 1.663 12.383 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.592 14.147 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.658 14.719 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.181 12.366 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.215 13.879 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.349 14.499 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.146 15.192 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.281 12.496 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.839 13.780 -3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.993 12.141 -3.165 1.00 0.00 H new ATOM 867 N THR A 53 1.551 13.895 1.493 1.00 0.00 N ATOM 868 CA THR A 53 2.372 14.559 2.497 1.00 0.00 C ATOM 869 C THR A 53 3.493 13.637 2.962 1.00 0.00 C ATOM 870 O THR A 53 4.625 14.073 3.172 1.00 0.00 O ATOM 871 CB THR A 53 1.515 14.983 3.691 1.00 0.00 C ATOM 872 OG1 THR A 53 0.440 15.805 3.269 1.00 0.00 O ATOM 873 CG2 THR A 53 2.290 15.747 4.743 1.00 0.00 C ATOM 0 H THR A 53 0.583 13.742 1.775 1.00 0.00 H new ATOM 0 HA THR A 53 2.813 15.448 2.047 1.00 0.00 H new ATOM 0 HB THR A 53 1.154 14.054 4.132 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.098 16.065 4.046 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.623 16.017 5.562 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.098 15.123 5.124 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.708 16.652 4.302 1.00 0.00 H new ATOM 881 N LYS A 54 3.170 12.356 3.113 1.00 0.00 N ATOM 882 CA LYS A 54 4.148 11.365 3.546 1.00 0.00 C ATOM 883 C LYS A 54 5.319 11.309 2.571 1.00 0.00 C ATOM 884 O LYS A 54 6.471 11.143 2.975 1.00 0.00 O ATOM 885 CB LYS A 54 3.492 9.987 3.665 1.00 0.00 C ATOM 886 CG LYS A 54 2.315 9.959 4.628 1.00 0.00 C ATOM 887 CD LYS A 54 2.663 9.228 5.915 1.00 0.00 C ATOM 888 CE LYS A 54 2.257 7.765 5.851 1.00 0.00 C ATOM 889 NZ LYS A 54 3.038 6.931 6.805 1.00 0.00 N ATOM 0 H LYS A 54 2.237 11.980 2.942 1.00 0.00 H new ATOM 0 HA LYS A 54 4.526 11.658 4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.153 9.668 2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.239 9.265 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.009 10.979 4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.465 9.472 4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.735 9.302 6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.162 9.709 6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.194 7.673 6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.404 7.391 4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.467 6.131 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.787 7.508 7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.406 6.570 7.548 1.00 0.00 H new ATOM 903 N LEU A 55 5.017 11.456 1.285 1.00 0.00 N ATOM 904 CA LEU A 55 6.042 11.434 0.248 1.00 0.00 C ATOM 905 C LEU A 55 7.053 12.553 0.471 1.00 0.00 C ATOM 906 O LEU A 55 8.254 12.310 0.585 1.00 0.00 O ATOM 907 CB LEU A 55 5.402 11.583 -1.133 1.00 0.00 C ATOM 908 CG LEU A 55 4.469 10.443 -1.560 1.00 0.00 C ATOM 909 CD1 LEU A 55 4.657 10.139 -3.034 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.713 9.189 -0.732 1.00 0.00 C ATOM 0 H LEU A 55 4.068 11.592 0.936 1.00 0.00 H new ATOM 0 HA LEU A 55 6.560 10.476 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.839 12.516 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.197 11.674 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 55 3.442 10.766 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.990 9.328 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.427 11.028 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.690 9.842 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.036 8.400 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.744 8.861 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.534 9.408 0.321 1.00 0.00 H new ATOM 922 N GLY A 56 6.549 13.781 0.534 1.00 0.00 N ATOM 923 CA GLY A 56 7.407 14.934 0.742 1.00 0.00 C ATOM 924 C GLY A 56 6.626 16.234 0.721 1.00 0.00 C ATOM 925 O GLY A 56 5.844 16.510 1.630 1.00 0.00 O ATOM 0 H GLY A 56 5.557 13.999 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.921 14.835 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.174 14.959 -0.032 1.00 0.00 H new ATOM 929 N ARG A 57 6.834 17.030 -0.322 1.00 0.00 N ATOM 930 CA ARG A 57 6.136 18.303 -0.465 1.00 0.00 C ATOM 931 C ARG A 57 5.955 18.655 -1.936 1.00 0.00 C ATOM 932 O ARG A 57 5.940 19.829 -2.310 1.00 0.00 O ATOM 933 CB ARG A 57 6.897 19.418 0.255 1.00 0.00 C ATOM 934 CG ARG A 57 6.061 20.665 0.498 1.00 0.00 C ATOM 935 CD ARG A 57 6.368 21.288 1.851 1.00 0.00 C ATOM 936 NE ARG A 57 7.227 22.463 1.730 1.00 0.00 N ATOM 937 CZ ARG A 57 7.354 23.389 2.678 1.00 0.00 C ATOM 938 NH1 ARG A 57 6.681 23.281 3.818 1.00 0.00 N ATOM 939 NH2 ARG A 57 8.157 24.427 2.487 1.00 0.00 N ATOM 0 H ARG A 57 7.481 16.816 -1.081 1.00 0.00 H new ATOM 0 HA ARG A 57 5.151 18.203 -0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.259 19.041 1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.774 19.687 -0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.253 21.392 -0.291 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.002 20.410 0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.436 21.569 2.340 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.852 20.549 2.489 1.00 0.00 H new ATOM 0 HE ARG A 57 7.761 22.581 0.869 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.062 22.485 3.971 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.783 23.994 4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.677 24.516 1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.255 25.137 3.213 1.00 0.00 H new ATOM 953 N ASP A 58 5.817 17.627 -2.761 1.00 0.00 N ATOM 954 CA ASP A 58 5.635 17.806 -4.195 1.00 0.00 C ATOM 955 C ASP A 58 4.315 17.175 -4.649 1.00 0.00 C ATOM 956 O ASP A 58 3.333 17.180 -3.907 1.00 0.00 O ATOM 957 CB ASP A 58 6.824 17.196 -4.946 1.00 0.00 C ATOM 958 CG ASP A 58 7.180 17.975 -6.196 1.00 0.00 C ATOM 959 OD1 ASP A 58 6.281 18.192 -7.036 1.00 0.00 O ATOM 960 OD2 ASP A 58 8.357 18.370 -6.335 1.00 0.00 O ATOM 0 H ASP A 58 5.828 16.653 -2.459 1.00 0.00 H new ATOM 0 HA ASP A 58 5.591 18.871 -4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.689 17.162 -4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.589 16.167 -5.217 1.00 0.00 H new ATOM 965 N THR A 59 4.296 16.631 -5.862 1.00 0.00 N ATOM 966 CA THR A 59 3.098 15.997 -6.399 1.00 0.00 C ATOM 967 C THR A 59 3.326 14.504 -6.612 1.00 0.00 C ATOM 968 O THR A 59 4.452 14.017 -6.511 1.00 0.00 O ATOM 969 CB THR A 59 2.693 16.655 -7.719 1.00 0.00 C ATOM 970 OG1 THR A 59 1.563 16.007 -8.276 1.00 0.00 O ATOM 971 CG2 THR A 59 3.791 16.639 -8.760 1.00 0.00 C ATOM 0 H THR A 59 5.098 16.617 -6.492 1.00 0.00 H new ATOM 0 HA THR A 59 2.293 16.127 -5.676 1.00 0.00 H new ATOM 0 HB THR A 59 2.470 17.692 -7.467 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.318 16.443 -9.119 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.436 17.121 -9.671 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.660 17.176 -8.380 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.069 15.608 -8.980 1.00 0.00 H new ATOM 979 N GLN A 60 2.252 13.781 -6.911 1.00 0.00 N ATOM 980 CA GLN A 60 2.339 12.349 -7.139 1.00 0.00 C ATOM 981 C GLN A 60 3.069 12.062 -8.440 1.00 0.00 C ATOM 982 O GLN A 60 2.490 12.114 -9.525 1.00 0.00 O ATOM 983 CB GLN A 60 0.945 11.724 -7.177 1.00 0.00 C ATOM 984 CG GLN A 60 0.000 12.401 -8.156 1.00 0.00 C ATOM 985 CD GLN A 60 -1.351 12.714 -7.541 1.00 0.00 C ATOM 986 OE1 GLN A 60 -2.353 12.074 -7.858 1.00 0.00 O ATOM 987 NE2 GLN A 60 -1.384 13.704 -6.657 1.00 0.00 N ATOM 0 H GLN A 60 1.312 14.166 -7.000 1.00 0.00 H new ATOM 0 HA GLN A 60 2.899 11.907 -6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.036 10.671 -7.442 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.510 11.765 -6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.455 13.325 -8.514 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.141 11.757 -9.024 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.529 14.208 -6.424 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.265 13.960 -6.211 1.00 0.00 H new ATOM 996 N ILE A 61 4.346 11.757 -8.310 1.00 0.00 N ATOM 997 CA ILE A 61 5.193 11.456 -9.460 1.00 0.00 C ATOM 998 C ILE A 61 4.988 10.024 -9.937 1.00 0.00 C ATOM 999 O ILE A 61 5.732 9.120 -9.558 1.00 0.00 O ATOM 1000 CB ILE A 61 6.683 11.667 -9.131 1.00 0.00 C ATOM 1001 CG1 ILE A 61 7.050 10.944 -7.834 1.00 0.00 C ATOM 1002 CG2 ILE A 61 6.997 13.152 -9.024 1.00 0.00 C ATOM 1003 CD1 ILE A 61 8.441 10.347 -7.849 1.00 0.00 C ATOM 0 H ILE A 61 4.828 11.710 -7.412 1.00 0.00 H new ATOM 0 HA ILE A 61 4.902 12.144 -10.254 1.00 0.00 H new ATOM 0 HB ILE A 61 7.281 11.247 -9.940 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.973 11.644 -7.002 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.325 10.151 -7.651 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.054 13.285 -8.791 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.770 13.641 -9.971 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.393 13.596 -8.233 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.634 9.850 -6.898 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.517 9.622 -8.659 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.175 11.138 -8.000 1.00 0.00 H new ATOM 1015 N GLY A 62 3.976 9.824 -10.773 1.00 0.00 N ATOM 1016 CA GLY A 62 3.692 8.499 -11.292 1.00 0.00 C ATOM 1017 C GLY A 62 3.432 7.490 -10.191 1.00 0.00 C ATOM 1018 O GLY A 62 3.655 6.293 -10.371 1.00 0.00 O ATOM 0 H GLY A 62 3.346 10.556 -11.101 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.824 8.548 -11.949 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.532 8.162 -11.899 1.00 0.00 H new ATOM 1022 N LEU A 63 2.964 7.976 -9.046 1.00 0.00 N ATOM 1023 CA LEU A 63 2.674 7.109 -7.909 1.00 0.00 C ATOM 1024 C LEU A 63 1.692 6.009 -8.297 1.00 0.00 C ATOM 1025 O LEU A 63 0.667 6.271 -8.927 1.00 0.00 O ATOM 1026 CB LEU A 63 2.115 7.931 -6.744 1.00 0.00 C ATOM 1027 CG LEU A 63 3.090 8.163 -5.589 1.00 0.00 C ATOM 1028 CD1 LEU A 63 3.305 6.878 -4.807 1.00 0.00 C ATOM 1029 CD2 LEU A 63 4.415 8.701 -6.108 1.00 0.00 C ATOM 0 H LEU A 63 2.777 8.965 -8.881 1.00 0.00 H new ATOM 0 HA LEU A 63 3.606 6.638 -7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.790 8.899 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.229 7.428 -6.356 1.00 0.00 H new ATOM 0 HG LEU A 63 2.658 8.905 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.002 7.062 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.353 6.535 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.715 6.114 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.096 8.860 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.853 7.983 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.247 9.647 -6.624 1.00 0.00 H new ATOM 1041 N THR A 64 2.015 4.777 -7.919 1.00 0.00 N ATOM 1042 CA THR A 64 1.164 3.635 -8.232 1.00 0.00 C ATOM 1043 C THR A 64 0.810 2.847 -6.974 1.00 0.00 C ATOM 1044 O THR A 64 1.553 2.853 -5.993 1.00 0.00 O ATOM 1045 CB THR A 64 1.861 2.721 -9.242 1.00 0.00 C ATOM 1046 OG1 THR A 64 2.665 3.477 -10.130 1.00 0.00 O ATOM 1047 CG2 THR A 64 0.898 1.905 -10.077 1.00 0.00 C ATOM 0 H THR A 64 2.859 4.544 -7.396 1.00 0.00 H new ATOM 0 HA THR A 64 0.239 4.014 -8.666 1.00 0.00 H new ATOM 0 HB THR A 64 2.465 2.039 -8.644 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.104 2.875 -10.767 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.459 1.280 -10.772 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.296 1.273 -9.424 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.245 2.574 -10.637 1.00 0.00 H new ATOM 1055 N MET A 65 -0.331 2.167 -7.015 1.00 0.00 N ATOM 1056 CA MET A 65 -0.787 1.367 -5.887 1.00 0.00 C ATOM 1057 C MET A 65 -0.560 -0.117 -6.154 1.00 0.00 C ATOM 1058 O MET A 65 -0.478 -0.541 -7.306 1.00 0.00 O ATOM 1059 CB MET A 65 -2.270 1.630 -5.615 1.00 0.00 C ATOM 1060 CG MET A 65 -2.528 2.908 -4.832 1.00 0.00 C ATOM 1061 SD MET A 65 -2.927 4.306 -5.899 1.00 0.00 S ATOM 1062 CE MET A 65 -1.596 5.435 -5.493 1.00 0.00 C ATOM 0 H MET A 65 -0.957 2.155 -7.820 1.00 0.00 H new ATOM 0 HA MET A 65 -0.210 1.654 -5.008 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.801 1.682 -6.565 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.685 0.786 -5.064 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.349 2.743 -4.134 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.647 3.149 -4.237 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.654 6.312 -6.138 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.686 5.744 -4.451 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.638 4.937 -5.643 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.443 -0.931 -5.091 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.530 -0.481 -3.701 1.00 0.00 C ATOM 1074 C PRO A 66 0.788 0.085 -3.179 1.00 0.00 C ATOM 1075 O PRO A 66 1.852 -0.493 -3.397 1.00 0.00 O ATOM 1076 CB PRO A 66 -0.897 -1.762 -2.931 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.005 -2.843 -3.960 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.228 -2.372 -5.152 1.00 0.00 C ATOM 0 HA PRO A 66 -1.251 0.329 -3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.136 -2.003 -2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.837 -1.639 -2.394 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.602 -3.782 -3.580 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.047 -3.026 -4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.828 -2.632 -5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.601 -2.803 -6.081 1.00 0.00 H new ATOM 1086 N GLN A 67 0.703 1.201 -2.460 1.00 0.00 N ATOM 1087 CA GLN A 67 1.886 1.826 -1.881 1.00 0.00 C ATOM 1088 C GLN A 67 2.087 1.311 -0.464 1.00 0.00 C ATOM 1089 O GLN A 67 1.122 0.988 0.218 1.00 0.00 O ATOM 1090 CB GLN A 67 1.738 3.348 -1.871 1.00 0.00 C ATOM 1091 CG GLN A 67 2.397 4.034 -3.055 1.00 0.00 C ATOM 1092 CD GLN A 67 3.908 3.911 -3.035 1.00 0.00 C ATOM 1093 OE1 GLN A 67 4.589 5.031 -2.827 1.00 0.00 O flip ATOM 1094 NE2 GLN A 67 4.456 2.821 -3.197 1.00 0.00 N flip ATOM 0 H GLN A 67 -0.171 1.689 -2.265 1.00 0.00 H new ATOM 0 HA GLN A 67 2.755 1.571 -2.487 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.678 3.601 -1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.169 3.740 -0.950 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.014 3.602 -3.980 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.122 5.089 -3.058 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.893 1.985 -3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.473 2.753 -3.174 1.00 0.00 H new ATOM 1103 N VAL A 68 3.332 1.218 -0.017 1.00 0.00 N ATOM 1104 CA VAL A 68 3.597 0.722 1.326 1.00 0.00 C ATOM 1105 C VAL A 68 4.371 1.728 2.168 1.00 0.00 C ATOM 1106 O VAL A 68 5.166 2.514 1.651 1.00 0.00 O ATOM 1107 CB VAL A 68 4.363 -0.619 1.306 1.00 0.00 C ATOM 1108 CG1 VAL A 68 4.203 -1.336 2.638 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.884 -1.507 0.162 1.00 0.00 C ATOM 0 H VAL A 68 4.161 1.474 -0.553 1.00 0.00 H new ATOM 0 HA VAL A 68 2.619 0.564 1.781 1.00 0.00 H new ATOM 0 HB VAL A 68 5.420 -0.405 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.748 -2.280 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.600 -0.711 3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.147 -1.532 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.440 -2.444 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.821 -1.715 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.048 -0.997 -0.787 1.00 0.00 H new ATOM 1119 N PHE A 69 4.132 1.686 3.476 1.00 0.00 N ATOM 1120 CA PHE A 69 4.798 2.585 4.408 1.00 0.00 C ATOM 1121 C PHE A 69 5.126 1.856 5.705 1.00 0.00 C ATOM 1122 O PHE A 69 4.318 1.084 6.218 1.00 0.00 O ATOM 1123 CB PHE A 69 3.911 3.794 4.699 1.00 0.00 C ATOM 1124 CG PHE A 69 3.925 4.814 3.602 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.888 5.806 3.579 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.980 4.775 2.590 1.00 0.00 C ATOM 1127 CE1 PHE A 69 4.909 6.746 2.566 1.00 0.00 C ATOM 1128 CE2 PHE A 69 2.994 5.711 1.575 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.960 6.698 1.562 1.00 0.00 C ATOM 0 H PHE A 69 3.479 1.036 3.914 1.00 0.00 H new ATOM 0 HA PHE A 69 5.727 2.929 3.954 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.887 3.455 4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.240 4.263 5.626 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.632 5.847 4.361 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.224 4.004 2.595 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.666 7.517 2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.251 5.671 0.792 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.974 7.431 0.769 1.00 0.00 H new ATOM 1139 N ALA A 70 6.327 2.096 6.220 1.00 0.00 N ATOM 1140 CA ALA A 70 6.784 1.451 7.451 1.00 0.00 C ATOM 1141 C ALA A 70 5.725 1.507 8.552 1.00 0.00 C ATOM 1142 O ALA A 70 4.764 2.270 8.463 1.00 0.00 O ATOM 1143 CB ALA A 70 8.078 2.093 7.929 1.00 0.00 C ATOM 0 H ALA A 70 7.005 2.734 5.804 1.00 0.00 H new ATOM 0 HA ALA A 70 6.965 0.400 7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.409 1.605 8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.844 1.982 7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.909 3.152 8.122 1.00 0.00 H new ATOM 1149 N PRO A 71 5.894 0.692 9.611 1.00 0.00 N ATOM 1150 CA PRO A 71 4.959 0.653 10.741 1.00 0.00 C ATOM 1151 C PRO A 71 4.846 2.006 11.439 1.00 0.00 C ATOM 1152 O PRO A 71 3.878 2.269 12.152 1.00 0.00 O ATOM 1153 CB PRO A 71 5.574 -0.384 11.689 1.00 0.00 C ATOM 1154 CG PRO A 71 6.489 -1.192 10.835 1.00 0.00 C ATOM 1155 CD PRO A 71 7.014 -0.247 9.794 1.00 0.00 C ATOM 0 HA PRO A 71 3.947 0.405 10.421 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.116 0.098 12.503 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.805 -1.008 12.144 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.302 -1.616 11.424 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.960 -2.027 10.375 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.918 0.262 10.129 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.264 -0.764 8.868 1.00 0.00 H new ATOM 1163 N ASP A 72 5.846 2.860 11.229 1.00 0.00 N ATOM 1164 CA ASP A 72 5.867 4.187 11.838 1.00 0.00 C ATOM 1165 C ASP A 72 5.602 5.279 10.805 1.00 0.00 C ATOM 1166 O ASP A 72 5.226 6.398 11.157 1.00 0.00 O ATOM 1167 CB ASP A 72 7.209 4.439 12.518 1.00 0.00 C ATOM 1168 CG ASP A 72 7.751 3.211 13.224 1.00 0.00 C ATOM 1169 OD1 ASP A 72 6.951 2.483 13.849 1.00 0.00 O ATOM 1170 OD2 ASP A 72 8.976 2.975 13.152 1.00 0.00 O ATOM 0 H ASP A 72 6.654 2.655 10.640 1.00 0.00 H new ATOM 0 HA ASP A 72 5.072 4.219 12.583 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.931 4.772 11.773 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.099 5.248 13.240 1.00 0.00 H new ATOM 1175 N GLY A 73 5.798 4.956 9.529 1.00 0.00 N ATOM 1176 CA GLY A 73 5.570 5.930 8.480 1.00 0.00 C ATOM 1177 C GLY A 73 6.676 5.955 7.440 1.00 0.00 C ATOM 1178 O GLY A 73 6.475 6.444 6.328 1.00 0.00 O ATOM 0 H GLY A 73 6.109 4.040 9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.622 5.711 7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.476 6.920 8.926 1.00 0.00 H new ATOM 1182 N SER A 74 7.843 5.427 7.794 1.00 0.00 N ATOM 1183 CA SER A 74 8.978 5.394 6.875 1.00 0.00 C ATOM 1184 C SER A 74 8.609 4.673 5.580 1.00 0.00 C ATOM 1185 O SER A 74 8.428 3.456 5.564 1.00 0.00 O ATOM 1186 CB SER A 74 10.179 4.708 7.533 1.00 0.00 C ATOM 1187 OG SER A 74 9.818 4.118 8.770 1.00 0.00 O ATOM 0 H SER A 74 8.029 5.016 8.709 1.00 0.00 H new ATOM 0 HA SER A 74 9.247 6.422 6.633 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.576 3.944 6.865 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.974 5.436 7.693 1.00 0.00 H new ATOM 0 HG SER A 74 10.603 3.686 9.168 1.00 0.00 H new ATOM 1193 N HIS A 75 8.497 5.434 4.496 1.00 0.00 N ATOM 1194 CA HIS A 75 8.145 4.874 3.195 1.00 0.00 C ATOM 1195 C HIS A 75 9.092 3.744 2.799 1.00 0.00 C ATOM 1196 O HIS A 75 10.310 3.866 2.931 1.00 0.00 O ATOM 1197 CB HIS A 75 8.170 5.969 2.125 1.00 0.00 C ATOM 1198 CG HIS A 75 7.648 5.522 0.795 1.00 0.00 C ATOM 1199 ND1 HIS A 75 8.328 5.690 -0.391 1.00 0.00 N ATOM 1200 CD2 HIS A 75 6.482 4.904 0.475 1.00 0.00 C ATOM 1201 CE1 HIS A 75 7.571 5.181 -1.373 1.00 0.00 C ATOM 1202 NE2 HIS A 75 6.441 4.692 -0.900 1.00 0.00 N ATOM 0 H HIS A 75 8.645 6.443 4.493 1.00 0.00 H new ATOM 0 HA HIS A 75 7.138 4.463 3.272 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.579 6.817 2.471 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.194 6.323 2.003 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.710 4.622 1.175 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.850 5.172 -2.416 1.00 0.00 H new ATOM 0 HE2 HIS A 75 5.692 4.250 -1.432 1.00 0.00 H new ATOM 1210 N ILE A 76 8.521 2.647 2.307 1.00 0.00 N ATOM 1211 CA ILE A 76 9.312 1.496 1.884 1.00 0.00 C ATOM 1212 C ILE A 76 9.159 1.263 0.385 1.00 0.00 C ATOM 1213 O ILE A 76 10.122 0.924 -0.303 1.00 0.00 O ATOM 1214 CB ILE A 76 8.901 0.221 2.652 1.00 0.00 C ATOM 1215 CG1 ILE A 76 9.145 0.411 4.148 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.658 -1.001 2.144 1.00 0.00 C ATOM 1217 CD1 ILE A 76 8.052 -0.172 5.007 1.00 0.00 C ATOM 0 H ILE A 76 7.514 2.532 2.192 1.00 0.00 H new ATOM 0 HA ILE A 76 10.356 1.714 2.109 1.00 0.00 H new ATOM 0 HB ILE A 76 7.838 0.050 2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 76 10.095 -0.052 4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 76 9.237 1.476 4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.346 -1.882 2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.441 -1.149 1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.729 -0.847 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.286 -0.003 6.058 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.104 0.308 4.765 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.974 -1.243 4.820 1.00 0.00 H new ATOM 1229 N GLY A 77 7.943 1.449 -0.113 1.00 0.00 N ATOM 1230 CA GLY A 77 7.687 1.260 -1.527 1.00 0.00 C ATOM 1231 C GLY A 77 6.482 0.386 -1.790 1.00 0.00 C ATOM 1232 O GLY A 77 5.569 0.309 -0.969 1.00 0.00 O ATOM 0 H GLY A 77 7.130 1.727 0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.536 2.231 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.564 0.813 -1.994 1.00 0.00 H new ATOM 1236 N GLY A 78 6.481 -0.270 -2.942 1.00 0.00 N ATOM 1237 CA GLY A 78 5.378 -1.143 -3.302 1.00 0.00 C ATOM 1238 C GLY A 78 5.648 -2.584 -2.919 1.00 0.00 C ATOM 1239 O GLY A 78 6.141 -2.857 -1.826 1.00 0.00 O ATOM 0 H GLY A 78 7.226 -0.214 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.468 -0.801 -2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.201 -1.080 -4.376 1.00 0.00 H new ATOM 1243 N PHE A 79 5.335 -3.509 -3.820 1.00 0.00 N ATOM 1244 CA PHE A 79 5.560 -4.927 -3.562 1.00 0.00 C ATOM 1245 C PHE A 79 7.006 -5.304 -3.865 1.00 0.00 C ATOM 1246 O PHE A 79 7.711 -5.840 -3.011 1.00 0.00 O ATOM 1247 CB PHE A 79 4.604 -5.781 -4.401 1.00 0.00 C ATOM 1248 CG PHE A 79 4.807 -7.261 -4.232 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.647 -7.860 -2.991 1.00 0.00 C ATOM 1250 CD2 PHE A 79 5.163 -8.052 -5.313 1.00 0.00 C ATOM 1251 CE1 PHE A 79 4.839 -9.220 -2.833 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.355 -9.413 -5.161 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.193 -9.997 -3.918 1.00 0.00 C ATOM 0 H PHE A 79 4.926 -3.304 -4.732 1.00 0.00 H new ATOM 0 HA PHE A 79 5.366 -5.118 -2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.578 -5.531 -4.132 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.730 -5.524 -5.453 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.369 -7.257 -2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.292 -7.600 -6.285 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.712 -9.674 -1.861 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.631 -10.019 -6.011 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.343 -11.060 -3.796 1.00 0.00 H new ATOM 1263 N ASP A 80 7.448 -5.010 -5.085 1.00 0.00 N ATOM 1264 CA ASP A 80 8.814 -5.314 -5.497 1.00 0.00 C ATOM 1265 C ASP A 80 9.818 -4.646 -4.563 1.00 0.00 C ATOM 1266 O ASP A 80 10.740 -5.289 -4.062 1.00 0.00 O ATOM 1267 CB ASP A 80 9.055 -4.853 -6.936 1.00 0.00 C ATOM 1268 CG ASP A 80 10.294 -5.482 -7.543 1.00 0.00 C ATOM 1269 OD1 ASP A 80 11.386 -4.893 -7.406 1.00 0.00 O ATOM 1270 OD2 ASP A 80 10.172 -6.564 -8.155 1.00 0.00 O ATOM 0 H ASP A 80 6.880 -4.562 -5.804 1.00 0.00 H new ATOM 0 HA ASP A 80 8.952 -6.394 -5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.187 -5.104 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.155 -3.768 -6.955 1.00 0.00 H new ATOM 1275 N GLN A 81 9.627 -3.350 -4.331 1.00 0.00 N ATOM 1276 CA GLN A 81 10.512 -2.593 -3.453 1.00 0.00 C ATOM 1277 C GLN A 81 10.453 -3.145 -2.033 1.00 0.00 C ATOM 1278 O GLN A 81 11.476 -3.267 -1.359 1.00 0.00 O ATOM 1279 CB GLN A 81 10.125 -1.113 -3.455 1.00 0.00 C ATOM 1280 CG GLN A 81 11.317 -0.173 -3.379 1.00 0.00 C ATOM 1281 CD GLN A 81 11.136 1.068 -4.231 1.00 0.00 C ATOM 1282 OE1 GLN A 81 10.755 2.127 -3.734 1.00 0.00 O ATOM 1283 NE2 GLN A 81 11.411 0.942 -5.525 1.00 0.00 N ATOM 0 H GLN A 81 8.868 -2.804 -4.739 1.00 0.00 H new ATOM 0 HA GLN A 81 11.532 -2.691 -3.825 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.558 -0.895 -4.360 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.464 -0.918 -2.610 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.476 0.123 -2.342 1.00 0.00 H new ATOM 0 HG3 GLN A 81 12.214 -0.703 -3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.724 0.045 -5.895 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.309 1.743 -6.148 1.00 0.00 H new ATOM 1292 N LEU A 82 9.247 -3.483 -1.591 1.00 0.00 N ATOM 1293 CA LEU A 82 9.046 -4.031 -0.257 1.00 0.00 C ATOM 1294 C LEU A 82 9.797 -5.349 -0.099 1.00 0.00 C ATOM 1295 O LEU A 82 10.592 -5.516 0.825 1.00 0.00 O ATOM 1296 CB LEU A 82 7.550 -4.217 0.011 1.00 0.00 C ATOM 1297 CG LEU A 82 7.199 -5.057 1.238 1.00 0.00 C ATOM 1298 CD1 LEU A 82 7.224 -6.528 0.882 1.00 0.00 C ATOM 1299 CD2 LEU A 82 8.151 -4.761 2.384 1.00 0.00 C ATOM 0 H LEU A 82 8.392 -3.386 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 82 9.445 -3.330 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.094 -3.233 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.097 -4.680 -0.866 1.00 0.00 H new ATOM 0 HG LEU A 82 6.193 -4.795 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.973 -7.120 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.497 -6.724 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.220 -6.801 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.882 -5.370 3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.171 -4.994 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.084 -3.706 2.650 1.00 0.00 H new ATOM 1311 N ARG A 83 9.557 -6.283 -1.011 1.00 0.00 N ATOM 1312 CA ARG A 83 10.228 -7.581 -0.967 1.00 0.00 C ATOM 1313 C ARG A 83 11.732 -7.389 -0.808 1.00 0.00 C ATOM 1314 O ARG A 83 12.387 -8.119 -0.063 1.00 0.00 O ATOM 1315 CB ARG A 83 9.931 -8.382 -2.236 1.00 0.00 C ATOM 1316 CG ARG A 83 10.470 -9.803 -2.199 1.00 0.00 C ATOM 1317 CD ARG A 83 9.734 -10.703 -3.178 1.00 0.00 C ATOM 1318 NE ARG A 83 10.547 -11.846 -3.589 1.00 0.00 N ATOM 1319 CZ ARG A 83 10.277 -12.605 -4.648 1.00 0.00 C ATOM 1320 NH1 ARG A 83 9.219 -12.346 -5.407 1.00 0.00 N ATOM 1321 NH2 ARG A 83 11.067 -13.626 -4.951 1.00 0.00 N ATOM 0 H ARG A 83 8.906 -6.169 -1.788 1.00 0.00 H new ATOM 0 HA ARG A 83 9.850 -8.138 -0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.853 -8.415 -2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.360 -7.862 -3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.533 -9.796 -2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.373 -10.204 -1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.812 -11.060 -2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.449 -10.126 -4.058 1.00 0.00 H new ATOM 0 HE ARG A 83 11.370 -12.075 -3.031 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.608 -11.562 -5.180 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.017 -12.931 -6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.882 -13.830 -4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.860 -14.208 -5.763 1.00 0.00 H new ATOM 1335 N GLU A 84 12.268 -6.383 -1.492 1.00 0.00 N ATOM 1336 CA GLU A 84 13.687 -6.079 -1.397 1.00 0.00 C ATOM 1337 C GLU A 84 13.989 -5.562 0.001 1.00 0.00 C ATOM 1338 O GLU A 84 15.018 -5.885 0.592 1.00 0.00 O ATOM 1339 CB GLU A 84 14.093 -5.043 -2.447 1.00 0.00 C ATOM 1340 CG GLU A 84 15.557 -5.125 -2.847 1.00 0.00 C ATOM 1341 CD GLU A 84 16.461 -4.345 -1.913 1.00 0.00 C ATOM 1342 OE1 GLU A 84 16.412 -3.097 -1.943 1.00 0.00 O ATOM 1343 OE2 GLU A 84 17.217 -4.982 -1.149 1.00 0.00 O ATOM 0 H GLU A 84 11.743 -5.769 -2.114 1.00 0.00 H new ATOM 0 HA GLU A 84 14.261 -6.986 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.474 -5.176 -3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.886 -4.045 -2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.868 -6.170 -2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.674 -4.745 -3.862 1.00 0.00 H new ATOM 1350 N TYR A 85 13.056 -4.777 0.530 1.00 0.00 N ATOM 1351 CA TYR A 85 13.182 -4.231 1.870 1.00 0.00 C ATOM 1352 C TYR A 85 13.244 -5.371 2.883 1.00 0.00 C ATOM 1353 O TYR A 85 13.955 -5.290 3.885 1.00 0.00 O ATOM 1354 CB TYR A 85 12.004 -3.294 2.161 1.00 0.00 C ATOM 1355 CG TYR A 85 11.733 -3.062 3.629 1.00 0.00 C ATOM 1356 CD1 TYR A 85 12.451 -2.116 4.348 1.00 0.00 C ATOM 1357 CD2 TYR A 85 10.752 -3.789 4.291 1.00 0.00 C ATOM 1358 CE1 TYR A 85 12.199 -1.900 5.688 1.00 0.00 C ATOM 1359 CE2 TYR A 85 10.495 -3.579 5.630 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.220 -2.634 6.325 1.00 0.00 C ATOM 1361 OH TYR A 85 10.965 -2.422 7.661 1.00 0.00 O ATOM 0 H TYR A 85 12.201 -4.505 0.045 1.00 0.00 H new ATOM 0 HA TYR A 85 14.103 -3.653 1.948 1.00 0.00 H new ATOM 0 HB2 TYR A 85 12.195 -2.333 1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.106 -3.706 1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 85 13.218 -1.540 3.852 1.00 0.00 H new ATOM 0 HD2 TYR A 85 10.182 -4.530 3.750 1.00 0.00 H new ATOM 0 HE1 TYR A 85 12.765 -1.160 6.235 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.729 -4.152 6.132 1.00 0.00 H new ATOM 0 HH TYR A 85 10.003 -2.507 7.828 1.00 0.00 H new ATOM 1371 N PHE A 86 12.515 -6.447 2.593 1.00 0.00 N ATOM 1372 CA PHE A 86 12.503 -7.622 3.455 1.00 0.00 C ATOM 1373 C PHE A 86 13.751 -8.470 3.240 1.00 0.00 C ATOM 1374 O PHE A 86 14.554 -8.653 4.155 1.00 0.00 O ATOM 1375 CB PHE A 86 11.245 -8.460 3.207 1.00 0.00 C ATOM 1376 CG PHE A 86 10.050 -7.997 3.992 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.119 -7.889 5.372 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.866 -7.676 3.357 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.025 -7.468 6.103 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.767 -7.254 4.082 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.847 -7.149 5.457 1.00 0.00 C ATOM 0 H PHE A 86 11.924 -6.527 1.765 1.00 0.00 H new ATOM 0 HA PHE A 86 12.496 -7.278 4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.004 -8.433 2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.455 -9.499 3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.038 -8.137 5.882 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.798 -7.756 2.282 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.091 -7.388 7.178 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.847 -7.007 3.574 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.990 -6.818 6.025 1.00 0.00 H new ATOM 1391 N LYS A 87 13.910 -8.986 2.025 1.00 0.00 N ATOM 1392 CA LYS A 87 15.062 -9.815 1.689 1.00 0.00 C ATOM 1393 C LYS A 87 15.152 -11.026 2.614 1.00 0.00 C ATOM 1394 O LYS A 87 14.104 -11.429 3.162 1.00 0.00 O ATOM 1395 CB LYS A 87 16.352 -8.994 1.772 1.00 0.00 C ATOM 1396 CG LYS A 87 17.070 -8.851 0.441 1.00 0.00 C ATOM 1397 CD LYS A 87 18.578 -8.805 0.623 1.00 0.00 C ATOM 1398 CE LYS A 87 19.071 -7.382 0.830 1.00 0.00 C ATOM 1399 NZ LYS A 87 18.675 -6.846 2.162 1.00 0.00 N ATOM 1400 OXT LYS A 87 16.268 -11.561 2.781 1.00 0.00 O ATOM 0 H LYS A 87 13.255 -8.844 1.256 1.00 0.00 H new ATOM 0 HA LYS A 87 14.934 -10.172 0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.117 -8.002 2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.025 -9.463 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.806 -9.687 -0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.735 -7.942 -0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.861 -9.417 1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 87 19.064 -9.236 -0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 87 20.157 -7.357 0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 87 18.668 -6.741 0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 19.299 -6.054 2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.690 -6.513 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.759 -7.596 2.877 1.00 0.00 H new