USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 705 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 76 SER OG : rot 180:sc= 0.256 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 138:sc= 0.261 (180deg=0) USER MOD Set 2.1: A 3 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.3) USER MOD Set 2.2: A 45 TYR OH : rot 165:sc= 0 USER MOD Set 3.1: A 11 SER OG : rot -160:sc= -0.935 USER MOD Set 3.2: A 67 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0113) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.82) USER MOD Single : A -1 SER OG : rot 22:sc= 0.809 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.487 F(o=-1.3,f=-0.49) USER MOD Single : A 37 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00169) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 93:sc= 0.0294 USER MOD Single : A 59 SER OG : rot -170:sc= 0.49 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -1.01 F(o=-3.6!,f=-1) USER MOD Single : A 69 MET CE :methyl -134:sc= -0.407 (180deg=-2.8!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -46:sc= 1.07 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 19:sc= 0.513 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 62:sc= 0.603 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 19.085 -13.976 -9.545 1.00 0.00 N ATOM 2 CA GLY A -5 18.217 -13.643 -8.431 1.00 0.00 C ATOM 3 C GLY A -5 18.632 -12.363 -7.735 1.00 0.00 C ATOM 4 O GLY A -5 18.910 -12.361 -6.536 1.00 0.00 O ATOM 0 H1 GLY A -5 18.759 -14.859 -9.987 1.00 0.00 H new ATOM 0 H2 GLY A -5 19.060 -13.208 -10.246 1.00 0.00 H new ATOM 0 H3 GLY A -5 20.059 -14.100 -9.201 1.00 0.00 H new ATOM 0 HA2 GLY A -5 17.193 -13.542 -8.790 1.00 0.00 H new ATOM 0 HA3 GLY A -5 18.223 -14.462 -7.712 1.00 0.00 H new ATOM 8 N SER A -4 18.677 -11.268 -8.489 1.00 0.00 N ATOM 9 CA SER A -4 19.067 -9.976 -7.939 1.00 0.00 C ATOM 10 C SER A -4 18.283 -9.668 -6.667 1.00 0.00 C ATOM 11 O SER A -4 17.053 -9.700 -6.659 1.00 0.00 O ATOM 12 CB SER A -4 18.841 -8.870 -8.971 1.00 0.00 C ATOM 13 OG SER A -4 19.704 -9.026 -10.084 1.00 0.00 O ATOM 0 H SER A -4 18.448 -11.251 -9.483 1.00 0.00 H new ATOM 0 HA SER A -4 20.127 -10.020 -7.690 1.00 0.00 H new ATOM 0 HB2 SER A -4 17.804 -8.887 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A -4 19.010 -7.897 -8.509 1.00 0.00 H new ATOM 0 HG SER A -4 19.538 -8.308 -10.730 1.00 0.00 H new ATOM 19 N SER A -3 19.006 -9.371 -5.592 1.00 0.00 N ATOM 20 CA SER A -3 18.380 -9.061 -4.311 1.00 0.00 C ATOM 21 C SER A -3 17.720 -7.686 -4.348 1.00 0.00 C ATOM 22 O SER A -3 18.220 -6.762 -4.989 1.00 0.00 O ATOM 23 CB SER A -3 19.416 -9.113 -3.188 1.00 0.00 C ATOM 24 OG SER A -3 18.802 -9.390 -1.940 1.00 0.00 O ATOM 0 H SER A -3 20.025 -9.338 -5.582 1.00 0.00 H new ATOM 0 HA SER A -3 17.610 -9.809 -4.120 1.00 0.00 H new ATOM 0 HB2 SER A -3 20.159 -9.879 -3.409 1.00 0.00 H new ATOM 0 HB3 SER A -3 19.946 -8.162 -3.133 1.00 0.00 H new ATOM 0 HG SER A -3 19.486 -9.420 -1.239 1.00 0.00 H new ATOM 30 N GLY A -2 16.594 -7.558 -3.654 1.00 0.00 N ATOM 31 CA GLY A -2 15.883 -6.293 -3.620 1.00 0.00 C ATOM 32 C GLY A -2 16.680 -5.199 -2.938 1.00 0.00 C ATOM 33 O GLY A -2 17.890 -5.327 -2.751 1.00 0.00 O ATOM 0 H GLY A -2 16.161 -8.308 -3.114 1.00 0.00 H new ATOM 0 HA2 GLY A -2 15.647 -5.985 -4.638 1.00 0.00 H new ATOM 0 HA3 GLY A -2 14.935 -6.426 -3.099 1.00 0.00 H new ATOM 37 N SER A -1 16.001 -4.118 -2.567 1.00 0.00 N ATOM 38 CA SER A -1 16.655 -2.993 -1.908 1.00 0.00 C ATOM 39 C SER A -1 15.648 -2.169 -1.111 1.00 0.00 C ATOM 40 O SER A -1 14.735 -1.570 -1.678 1.00 0.00 O ATOM 41 CB SER A -1 17.356 -2.106 -2.939 1.00 0.00 C ATOM 42 OG SER A -1 16.413 -1.451 -3.771 1.00 0.00 O ATOM 0 H SER A -1 14.999 -3.997 -2.711 1.00 0.00 H new ATOM 0 HA SER A -1 17.399 -3.392 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A -1 17.972 -1.366 -2.428 1.00 0.00 H new ATOM 0 HB3 SER A -1 18.026 -2.712 -3.549 1.00 0.00 H new ATOM 0 HG SER A -1 15.545 -1.416 -3.317 1.00 0.00 H new ATOM 48 N SER A 0 15.822 -2.146 0.206 1.00 0.00 N ATOM 49 CA SER A 0 14.926 -1.400 1.082 1.00 0.00 C ATOM 50 C SER A 0 15.264 0.088 1.065 1.00 0.00 C ATOM 51 O SER A 0 16.369 0.481 0.691 1.00 0.00 O ATOM 52 CB SER A 0 15.011 -1.938 2.512 1.00 0.00 C ATOM 53 OG SER A 0 16.297 -1.718 3.064 1.00 0.00 O ATOM 0 H SER A 0 16.575 -2.635 0.690 1.00 0.00 H new ATOM 0 HA SER A 0 13.908 -1.528 0.714 1.00 0.00 H new ATOM 0 HB2 SER A 0 14.258 -1.452 3.132 1.00 0.00 H new ATOM 0 HB3 SER A 0 14.788 -3.005 2.516 1.00 0.00 H new ATOM 0 HG SER A 0 16.325 -2.069 3.979 1.00 0.00 H new ATOM 59 N GLY A 1 14.305 0.912 1.475 1.00 0.00 N ATOM 60 CA GLY A 1 14.520 2.347 1.499 1.00 0.00 C ATOM 61 C GLY A 1 13.221 3.128 1.482 1.00 0.00 C ATOM 62 O GLY A 1 12.214 2.683 2.033 1.00 0.00 O ATOM 0 H GLY A 1 13.383 0.612 1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.088 2.611 2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.125 2.635 0.639 1.00 0.00 H new ATOM 66 N MET A 2 13.243 4.296 0.849 1.00 0.00 N ATOM 67 CA MET A 2 12.057 5.142 0.764 1.00 0.00 C ATOM 68 C MET A 2 11.083 4.606 -0.281 1.00 0.00 C ATOM 69 O MET A 2 11.281 4.790 -1.480 1.00 0.00 O ATOM 70 CB MET A 2 12.453 6.579 0.419 1.00 0.00 C ATOM 71 CG MET A 2 12.946 7.376 1.616 1.00 0.00 C ATOM 72 SD MET A 2 12.981 9.152 1.300 1.00 0.00 S ATOM 73 CE MET A 2 14.126 9.698 2.564 1.00 0.00 C ATOM 0 H MET A 2 14.068 4.679 0.387 1.00 0.00 H new ATOM 0 HA MET A 2 11.563 5.133 1.736 1.00 0.00 H new ATOM 0 HB2 MET A 2 13.234 6.560 -0.341 1.00 0.00 H new ATOM 0 HB3 MET A 2 11.595 7.089 -0.019 1.00 0.00 H new ATOM 0 HG2 MET A 2 12.301 7.176 2.472 1.00 0.00 H new ATOM 0 HG3 MET A 2 13.947 7.039 1.885 1.00 0.00 H new ATOM 0 HE1 MET A 2 14.253 10.779 2.498 1.00 0.00 H new ATOM 0 HE2 MET A 2 13.734 9.438 3.547 1.00 0.00 H new ATOM 0 HE3 MET A 2 15.090 9.210 2.417 1.00 0.00 H new ATOM 83 N ASN A 3 10.029 3.943 0.185 1.00 0.00 N ATOM 84 CA ASN A 3 9.024 3.380 -0.709 1.00 0.00 C ATOM 85 C ASN A 3 7.667 3.293 -0.016 1.00 0.00 C ATOM 86 O ASN A 3 7.556 3.523 1.188 1.00 0.00 O ATOM 87 CB ASN A 3 9.455 1.991 -1.186 1.00 0.00 C ATOM 88 CG ASN A 3 10.786 2.018 -1.913 1.00 0.00 C ATOM 89 OD1 ASN A 3 11.803 1.566 -1.385 1.00 0.00 O ATOM 90 ND2 ASN A 3 10.785 2.549 -3.129 1.00 0.00 N ATOM 0 H ASN A 3 9.849 3.783 1.176 1.00 0.00 H new ATOM 0 HA ASN A 3 8.931 4.040 -1.571 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.525 1.321 -0.329 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.691 1.583 -1.848 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.651 2.595 -3.666 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.918 2.911 -3.527 1.00 0.00 H new ATOM 97 N LYS A 4 6.636 2.960 -0.785 1.00 0.00 N ATOM 98 CA LYS A 4 5.287 2.839 -0.248 1.00 0.00 C ATOM 99 C LYS A 4 4.539 1.685 -0.906 1.00 0.00 C ATOM 100 O LYS A 4 4.969 1.160 -1.934 1.00 0.00 O ATOM 101 CB LYS A 4 4.515 4.144 -0.455 1.00 0.00 C ATOM 102 CG LYS A 4 5.131 5.335 0.260 1.00 0.00 C ATOM 103 CD LYS A 4 4.408 6.627 -0.085 1.00 0.00 C ATOM 104 CE LYS A 4 5.339 7.827 0.001 1.00 0.00 C ATOM 105 NZ LYS A 4 4.651 9.091 -0.381 1.00 0.00 N ATOM 0 H LYS A 4 6.710 2.769 -1.784 1.00 0.00 H new ATOM 0 HA LYS A 4 5.366 2.635 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.461 4.359 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.491 4.010 -0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.094 5.173 1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.183 5.421 -0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.995 6.557 -1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.568 6.768 0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.724 7.916 1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.197 7.669 -0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.319 9.885 -0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.305 9.016 -1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.847 9.256 0.258 1.00 0.00 H new ATOM 119 N LEU A 5 3.418 1.294 -0.310 1.00 0.00 N ATOM 120 CA LEU A 5 2.609 0.202 -0.839 1.00 0.00 C ATOM 121 C LEU A 5 1.293 0.725 -1.408 1.00 0.00 C ATOM 122 O LEU A 5 0.651 1.591 -0.816 1.00 0.00 O ATOM 123 CB LEU A 5 2.330 -0.829 0.255 1.00 0.00 C ATOM 124 CG LEU A 5 3.528 -1.240 1.111 1.00 0.00 C ATOM 125 CD1 LEU A 5 3.068 -2.018 2.335 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.512 -2.062 0.293 1.00 0.00 C ATOM 0 H LEU A 5 3.048 1.718 0.541 1.00 0.00 H new ATOM 0 HA LEU A 5 3.168 -0.274 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.558 -0.431 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.919 -1.724 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 5 4.035 -0.336 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.934 -2.302 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.403 -1.395 2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.536 -2.915 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.358 -2.345 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.017 -2.960 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.867 -1.470 -0.551 1.00 0.00 H new ATOM 138 N TYR A 6 0.899 0.192 -2.559 1.00 0.00 N ATOM 139 CA TYR A 6 -0.339 0.604 -3.208 1.00 0.00 C ATOM 140 C TYR A 6 -1.491 -0.316 -2.818 1.00 0.00 C ATOM 141 O TYR A 6 -1.412 -1.533 -2.985 1.00 0.00 O ATOM 142 CB TYR A 6 -0.166 0.608 -4.728 1.00 0.00 C ATOM 143 CG TYR A 6 -1.457 0.387 -5.484 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.556 1.212 -5.277 1.00 0.00 C ATOM 145 CD2 TYR A 6 -1.576 -0.644 -6.408 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.737 1.014 -5.966 1.00 0.00 C ATOM 147 CE2 TYR A 6 -2.753 -0.849 -7.102 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.831 -0.017 -6.878 1.00 0.00 C ATOM 149 OH TYR A 6 -5.004 -0.217 -7.566 1.00 0.00 O ATOM 0 H TYR A 6 1.420 -0.527 -3.062 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.576 1.614 -2.874 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.266 1.561 -5.034 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.546 -0.169 -5.006 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.486 2.022 -4.566 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.734 -1.296 -6.587 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.582 1.663 -5.792 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.829 -1.656 -7.816 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.903 -0.983 -8.169 1.00 0.00 H new ATOM 159 N ILE A 7 -2.562 0.276 -2.299 1.00 0.00 N ATOM 160 CA ILE A 7 -3.732 -0.490 -1.887 1.00 0.00 C ATOM 161 C ILE A 7 -4.910 -0.238 -2.822 1.00 0.00 C ATOM 162 O ILE A 7 -5.364 0.895 -2.976 1.00 0.00 O ATOM 163 CB ILE A 7 -4.152 -0.143 -0.446 1.00 0.00 C ATOM 164 CG1 ILE A 7 -2.917 0.012 0.444 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.079 -1.216 0.108 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.248 0.219 1.906 1.00 0.00 C ATOM 0 H ILE A 7 -2.644 1.282 -2.154 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.453 -1.543 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.690 0.805 -0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.293 -0.876 0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.328 0.858 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.367 -0.957 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.971 -1.284 -0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.564 -2.177 0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.325 0.321 2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.847 1.123 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.811 -0.638 2.276 1.00 0.00 H new ATOM 178 N GLY A 8 -5.403 -1.306 -3.444 1.00 0.00 N ATOM 179 CA GLY A 8 -6.526 -1.181 -4.355 1.00 0.00 C ATOM 180 C GLY A 8 -7.761 -1.905 -3.856 1.00 0.00 C ATOM 181 O GLY A 8 -7.692 -2.680 -2.903 1.00 0.00 O ATOM 0 H GLY A 8 -5.045 -2.254 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.760 -0.126 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.245 -1.579 -5.330 1.00 0.00 H new ATOM 185 N ASN A 9 -8.895 -1.651 -4.501 1.00 0.00 N ATOM 186 CA ASN A 9 -10.151 -2.284 -4.116 1.00 0.00 C ATOM 187 C ASN A 9 -10.625 -1.771 -2.759 1.00 0.00 C ATOM 188 O ASN A 9 -11.066 -2.546 -1.910 1.00 0.00 O ATOM 189 CB ASN A 9 -9.987 -3.804 -4.069 1.00 0.00 C ATOM 190 CG ASN A 9 -11.281 -4.535 -4.378 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.696 -4.621 -5.533 1.00 0.00 O ATOM 192 ND2 ASN A 9 -11.921 -5.065 -3.343 1.00 0.00 N ATOM 0 H ASN A 9 -8.970 -1.012 -5.292 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.902 -2.029 -4.864 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.222 -4.107 -4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.634 -4.098 -3.081 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.796 -5.569 -3.488 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.538 -4.968 -2.403 1.00 0.00 H new ATOM 199 N LEU A 10 -10.532 -0.461 -2.564 1.00 0.00 N ATOM 200 CA LEU A 10 -10.952 0.158 -1.310 1.00 0.00 C ATOM 201 C LEU A 10 -12.293 0.866 -1.475 1.00 0.00 C ATOM 202 O LEU A 10 -12.419 1.803 -2.263 1.00 0.00 O ATOM 203 CB LEU A 10 -9.893 1.152 -0.830 1.00 0.00 C ATOM 204 CG LEU A 10 -8.561 0.549 -0.381 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.595 1.645 0.042 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.778 -0.441 0.753 1.00 0.00 C ATOM 0 H LEU A 10 -10.170 0.194 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.067 -0.629 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.696 1.859 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.309 1.723 0.000 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.124 0.013 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.653 1.197 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.414 2.315 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.025 2.209 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.819 -0.860 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.238 0.070 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.433 -1.244 0.415 1.00 0.00 H new ATOM 218 N SER A 11 -13.291 0.412 -0.724 1.00 0.00 N ATOM 219 CA SER A 11 -14.624 1.001 -0.788 1.00 0.00 C ATOM 220 C SER A 11 -14.551 2.522 -0.694 1.00 0.00 C ATOM 221 O SER A 11 -13.725 3.086 0.024 1.00 0.00 O ATOM 222 CB SER A 11 -15.502 0.450 0.337 1.00 0.00 C ATOM 223 OG SER A 11 -16.867 0.429 -0.044 1.00 0.00 O ATOM 0 H SER A 11 -13.202 -0.361 -0.065 1.00 0.00 H new ATOM 0 HA SER A 11 -15.067 0.735 -1.748 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.178 -0.558 0.595 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.380 1.062 1.231 1.00 0.00 H new ATOM 0 HG SER A 11 -17.430 0.384 0.757 1.00 0.00 H new ATOM 229 N PRO A 12 -15.436 3.203 -1.436 1.00 0.00 N ATOM 230 CA PRO A 12 -15.494 4.667 -1.454 1.00 0.00 C ATOM 231 C PRO A 12 -16.006 5.243 -0.138 1.00 0.00 C ATOM 232 O PRO A 12 -16.166 6.456 -0.002 1.00 0.00 O ATOM 233 CB PRO A 12 -16.475 4.970 -2.588 1.00 0.00 C ATOM 234 CG PRO A 12 -17.333 3.756 -2.682 1.00 0.00 C ATOM 235 CD PRO A 12 -16.450 2.595 -2.315 1.00 0.00 C ATOM 0 HA PRO A 12 -14.509 5.112 -1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.068 5.858 -2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.951 5.158 -3.525 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.185 3.827 -2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.734 3.638 -3.689 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.008 1.812 -1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.997 2.140 -3.196 1.00 0.00 H new ATOM 243 N ALA A 13 -16.262 4.366 0.827 1.00 0.00 N ATOM 244 CA ALA A 13 -16.753 4.789 2.132 1.00 0.00 C ATOM 245 C ALA A 13 -15.661 4.680 3.191 1.00 0.00 C ATOM 246 O ALA A 13 -15.777 5.249 4.277 1.00 0.00 O ATOM 247 CB ALA A 13 -17.965 3.959 2.534 1.00 0.00 C ATOM 0 H ALA A 13 -16.137 3.358 0.729 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.050 5.835 2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.322 4.285 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.757 4.090 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.685 2.907 2.583 1.00 0.00 H new ATOM 253 N VAL A 14 -14.601 3.946 2.869 1.00 0.00 N ATOM 254 CA VAL A 14 -13.488 3.765 3.792 1.00 0.00 C ATOM 255 C VAL A 14 -12.732 5.071 4.008 1.00 0.00 C ATOM 256 O VAL A 14 -12.617 5.893 3.097 1.00 0.00 O ATOM 257 CB VAL A 14 -12.505 2.694 3.283 1.00 0.00 C ATOM 258 CG1 VAL A 14 -11.228 2.704 4.110 1.00 0.00 C ATOM 259 CG2 VAL A 14 -13.155 1.319 3.308 1.00 0.00 C ATOM 0 H VAL A 14 -14.490 3.467 1.975 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.915 3.436 4.739 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.243 2.928 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.546 1.941 3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.754 3.683 4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.468 2.496 5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.446 0.575 2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.448 1.074 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.037 1.322 2.668 1.00 0.00 H new ATOM 269 N THR A 15 -12.218 5.259 5.219 1.00 0.00 N ATOM 270 CA THR A 15 -11.474 6.466 5.556 1.00 0.00 C ATOM 271 C THR A 15 -10.106 6.125 6.134 1.00 0.00 C ATOM 272 O THR A 15 -9.793 4.958 6.368 1.00 0.00 O ATOM 273 CB THR A 15 -12.244 7.338 6.566 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.524 6.584 7.750 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.545 7.844 5.961 1.00 0.00 C ATOM 0 H THR A 15 -12.304 4.590 5.984 1.00 0.00 H new ATOM 0 HA THR A 15 -11.344 7.026 4.630 1.00 0.00 H new ATOM 0 HB THR A 15 -11.622 8.196 6.821 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.012 7.146 8.388 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.072 8.457 6.692 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.327 8.442 5.076 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.170 6.996 5.681 1.00 0.00 H new ATOM 283 N ALA A 16 -9.293 7.152 6.365 1.00 0.00 N ATOM 284 CA ALA A 16 -7.960 6.960 6.921 1.00 0.00 C ATOM 285 C ALA A 16 -8.026 6.309 8.298 1.00 0.00 C ATOM 286 O ALA A 16 -7.160 5.512 8.660 1.00 0.00 O ATOM 287 CB ALA A 16 -7.225 8.290 6.998 1.00 0.00 C ATOM 0 H ALA A 16 -9.535 8.125 6.175 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.411 6.291 6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.230 8.132 7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.136 8.715 5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.781 8.977 7.636 1.00 0.00 H new ATOM 293 N ASP A 17 -9.057 6.654 9.061 1.00 0.00 N ATOM 294 CA ASP A 17 -9.237 6.102 10.399 1.00 0.00 C ATOM 295 C ASP A 17 -9.384 4.585 10.346 1.00 0.00 C ATOM 296 O ASP A 17 -8.823 3.867 11.174 1.00 0.00 O ATOM 297 CB ASP A 17 -10.463 6.724 11.070 1.00 0.00 C ATOM 298 CG ASP A 17 -10.402 8.238 11.099 1.00 0.00 C ATOM 299 OD1 ASP A 17 -9.623 8.784 11.908 1.00 0.00 O ATOM 300 OD2 ASP A 17 -11.133 8.878 10.314 1.00 0.00 O ATOM 0 H ASP A 17 -9.781 7.313 8.776 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.351 6.342 10.987 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.362 6.410 10.540 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.546 6.347 12.089 1.00 0.00 H new ATOM 305 N ASP A 18 -10.143 4.103 9.368 1.00 0.00 N ATOM 306 CA ASP A 18 -10.365 2.671 9.207 1.00 0.00 C ATOM 307 C ASP A 18 -9.082 1.968 8.777 1.00 0.00 C ATOM 308 O ASP A 18 -8.751 0.894 9.281 1.00 0.00 O ATOM 309 CB ASP A 18 -11.469 2.417 8.179 1.00 0.00 C ATOM 310 CG ASP A 18 -12.850 2.401 8.805 1.00 0.00 C ATOM 311 OD1 ASP A 18 -12.949 2.115 10.015 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.831 2.676 8.082 1.00 0.00 O ATOM 0 H ASP A 18 -10.615 4.683 8.675 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.675 2.266 10.170 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.430 3.189 7.410 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.287 1.464 7.683 1.00 0.00 H new ATOM 317 N LEU A 19 -8.362 2.579 7.843 1.00 0.00 N ATOM 318 CA LEU A 19 -7.114 2.011 7.344 1.00 0.00 C ATOM 319 C LEU A 19 -6.083 1.895 8.463 1.00 0.00 C ATOM 320 O LEU A 19 -5.448 0.853 8.629 1.00 0.00 O ATOM 321 CB LEU A 19 -6.557 2.872 6.209 1.00 0.00 C ATOM 322 CG LEU A 19 -6.969 2.465 4.794 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.280 3.346 3.763 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.649 0.998 4.545 1.00 0.00 C ATOM 0 H LEU A 19 -8.621 3.468 7.416 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.324 1.011 6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.870 3.903 6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.469 2.856 6.268 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.046 2.602 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.585 3.042 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.561 4.386 3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.199 3.242 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.949 0.727 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.578 0.834 4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.191 0.381 5.262 1.00 0.00 H new ATOM 336 N ARG A 20 -5.923 2.970 9.226 1.00 0.00 N ATOM 337 CA ARG A 20 -4.971 2.988 10.330 1.00 0.00 C ATOM 338 C ARG A 20 -5.392 2.018 11.428 1.00 0.00 C ATOM 339 O ARG A 20 -4.559 1.316 12.003 1.00 0.00 O ATOM 340 CB ARG A 20 -4.849 4.402 10.903 1.00 0.00 C ATOM 341 CG ARG A 20 -6.094 4.871 11.638 1.00 0.00 C ATOM 342 CD ARG A 20 -5.885 6.236 12.275 1.00 0.00 C ATOM 343 NE ARG A 20 -5.343 6.132 13.627 1.00 0.00 N ATOM 344 CZ ARG A 20 -5.030 7.184 14.376 1.00 0.00 C ATOM 345 NH1 ARG A 20 -5.205 8.412 13.906 1.00 0.00 N ATOM 346 NH2 ARG A 20 -4.542 7.009 15.597 1.00 0.00 N ATOM 0 H ARG A 20 -6.440 3.840 9.100 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.001 2.674 9.945 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.000 4.436 11.586 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.633 5.097 10.091 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.932 4.917 10.943 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.358 4.146 12.408 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.207 6.824 11.657 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.834 6.771 12.305 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.197 5.201 14.018 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.581 8.550 12.968 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.964 9.218 14.483 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.407 6.066 15.962 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.302 7.817 16.171 1.00 0.00 H new ATOM 360 N GLN A 21 -6.689 1.983 11.715 1.00 0.00 N ATOM 361 CA GLN A 21 -7.220 1.098 12.745 1.00 0.00 C ATOM 362 C GLN A 21 -7.103 -0.362 12.322 1.00 0.00 C ATOM 363 O GLN A 21 -6.862 -1.242 13.150 1.00 0.00 O ATOM 364 CB GLN A 21 -8.682 1.441 13.038 1.00 0.00 C ATOM 365 CG GLN A 21 -9.494 0.261 13.546 1.00 0.00 C ATOM 366 CD GLN A 21 -10.646 0.684 14.434 1.00 0.00 C ATOM 367 OE1 GLN A 21 -11.638 1.242 13.962 1.00 0.00 O ATOM 368 NE2 GLN A 21 -10.522 0.421 15.731 1.00 0.00 N ATOM 0 H GLN A 21 -7.392 2.557 11.249 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.632 1.243 13.651 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.718 2.241 13.777 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.145 1.826 12.130 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.883 -0.300 12.696 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.841 -0.412 14.101 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.683 -0.043 16.079 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.266 0.683 16.378 1.00 0.00 H new ATOM 377 N LEU A 22 -7.276 -0.614 11.029 1.00 0.00 N ATOM 378 CA LEU A 22 -7.189 -1.969 10.496 1.00 0.00 C ATOM 379 C LEU A 22 -5.785 -2.536 10.673 1.00 0.00 C ATOM 380 O LEU A 22 -5.611 -3.648 11.172 1.00 0.00 O ATOM 381 CB LEU A 22 -7.574 -1.981 9.015 1.00 0.00 C ATOM 382 CG LEU A 22 -7.741 -3.359 8.376 1.00 0.00 C ATOM 383 CD1 LEU A 22 -8.942 -4.080 8.967 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.882 -3.233 6.866 1.00 0.00 C ATOM 0 H LEU A 22 -7.477 0.102 10.331 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.886 -2.597 11.052 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.509 -1.433 8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.813 -1.434 8.458 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.849 -3.948 8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.045 -5.059 8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.800 -4.203 10.041 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.843 -3.495 8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.000 -4.224 6.428 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.757 -2.626 6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.991 -2.759 6.456 1.00 0.00 H new ATOM 396 N PHE A 23 -4.784 -1.763 10.262 1.00 0.00 N ATOM 397 CA PHE A 23 -3.394 -2.188 10.376 1.00 0.00 C ATOM 398 C PHE A 23 -2.995 -2.354 11.840 1.00 0.00 C ATOM 399 O PHE A 23 -2.286 -3.294 12.198 1.00 0.00 O ATOM 400 CB PHE A 23 -2.472 -1.173 9.697 1.00 0.00 C ATOM 401 CG PHE A 23 -2.319 -1.398 8.220 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.404 -1.265 7.369 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.089 -1.742 7.681 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.268 -1.471 6.009 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.946 -1.949 6.323 1.00 0.00 C ATOM 406 CZ PHE A 23 -2.037 -1.814 5.485 1.00 0.00 C ATOM 0 H PHE A 23 -4.910 -0.840 9.847 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.292 -3.152 9.878 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.863 -0.169 9.865 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.489 -1.215 10.167 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.369 -0.997 7.774 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.233 -1.849 8.330 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.123 -1.364 5.357 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.018 -2.216 5.916 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.927 -1.976 4.423 1.00 0.00 H new ATOM 416 N GLY A 24 -3.456 -1.434 12.681 1.00 0.00 N ATOM 417 CA GLY A 24 -3.137 -1.496 14.096 1.00 0.00 C ATOM 418 C GLY A 24 -3.664 -2.755 14.755 1.00 0.00 C ATOM 419 O GLY A 24 -3.018 -3.321 15.637 1.00 0.00 O ATOM 0 H GLY A 24 -4.045 -0.647 12.408 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.056 -1.448 14.224 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.556 -0.624 14.598 1.00 0.00 H new ATOM 423 N ASP A 25 -4.844 -3.195 14.329 1.00 0.00 N ATOM 424 CA ASP A 25 -5.460 -4.394 14.883 1.00 0.00 C ATOM 425 C ASP A 25 -4.558 -5.609 14.685 1.00 0.00 C ATOM 426 O ASP A 25 -4.529 -6.514 15.518 1.00 0.00 O ATOM 427 CB ASP A 25 -6.821 -4.642 14.233 1.00 0.00 C ATOM 428 CG ASP A 25 -7.693 -5.575 15.051 1.00 0.00 C ATOM 429 OD1 ASP A 25 -7.139 -6.335 15.873 1.00 0.00 O ATOM 430 OD2 ASP A 25 -8.928 -5.544 14.870 1.00 0.00 O ATOM 0 H ASP A 25 -5.393 -2.738 13.601 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.601 -4.239 15.953 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.336 -3.690 14.101 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.674 -5.065 13.239 1.00 0.00 H new ATOM 435 N ARG A 26 -3.825 -5.621 13.577 1.00 0.00 N ATOM 436 CA ARG A 26 -2.924 -6.725 13.268 1.00 0.00 C ATOM 437 C ARG A 26 -1.528 -6.458 13.821 1.00 0.00 C ATOM 438 O ARG A 26 -0.549 -7.068 13.388 1.00 0.00 O ATOM 439 CB ARG A 26 -2.853 -6.945 11.755 1.00 0.00 C ATOM 440 CG ARG A 26 -3.890 -7.927 11.233 1.00 0.00 C ATOM 441 CD ARG A 26 -5.298 -7.365 11.351 1.00 0.00 C ATOM 442 NE ARG A 26 -5.889 -7.639 12.658 1.00 0.00 N ATOM 443 CZ ARG A 26 -6.217 -8.856 13.075 1.00 0.00 C ATOM 444 NH1 ARG A 26 -6.011 -9.906 12.293 1.00 0.00 N ATOM 445 NH2 ARG A 26 -6.752 -9.025 14.278 1.00 0.00 N ATOM 0 H ARG A 26 -3.837 -4.878 12.878 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.317 -7.625 13.741 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.985 -5.988 11.251 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.858 -7.308 11.495 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.677 -8.163 10.190 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.822 -8.861 11.791 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.274 -6.288 11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.927 -7.795 10.571 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.059 -6.852 13.285 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.599 -9.780 11.368 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.264 -10.840 12.616 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.911 -8.219 14.883 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.004 -9.960 14.597 1.00 0.00 H new ATOM 459 N LYS A 27 -1.441 -5.541 14.778 1.00 0.00 N ATOM 460 CA LYS A 27 -0.164 -5.193 15.391 1.00 0.00 C ATOM 461 C LYS A 27 0.818 -4.674 14.346 1.00 0.00 C ATOM 462 O LYS A 27 1.997 -5.027 14.360 1.00 0.00 O ATOM 463 CB LYS A 27 0.429 -6.408 16.107 1.00 0.00 C ATOM 464 CG LYS A 27 -0.060 -6.573 17.535 1.00 0.00 C ATOM 465 CD LYS A 27 0.576 -5.552 18.464 1.00 0.00 C ATOM 466 CE LYS A 27 -0.153 -5.479 19.797 1.00 0.00 C ATOM 467 NZ LYS A 27 0.259 -4.289 20.591 1.00 0.00 N ATOM 0 H LYS A 27 -2.240 -5.025 15.146 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.342 -4.402 16.119 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.184 -7.307 15.542 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.516 -6.321 16.112 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.144 -6.467 17.564 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.171 -7.579 17.886 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.620 -5.814 18.633 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.566 -4.571 17.989 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.228 -5.444 19.621 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.047 -6.385 20.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.260 -4.276 21.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.280 -4.335 20.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.045 -3.423 20.056 1.00 0.00 H new ATOM 481 N LEU A 28 0.324 -3.835 13.442 1.00 0.00 N ATOM 482 CA LEU A 28 1.159 -3.266 12.390 1.00 0.00 C ATOM 483 C LEU A 28 1.095 -1.743 12.407 1.00 0.00 C ATOM 484 O LEU A 28 0.432 -1.116 11.581 1.00 0.00 O ATOM 485 CB LEU A 28 0.719 -3.792 11.022 1.00 0.00 C ATOM 486 CG LEU A 28 0.642 -5.312 10.880 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.204 -5.694 9.676 1.00 0.00 C ATOM 488 CD2 LEU A 28 2.037 -5.909 10.764 1.00 0.00 C ATOM 0 H LEU A 28 -0.650 -3.534 13.416 1.00 0.00 H new ATOM 0 HA LEU A 28 2.190 -3.569 12.575 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.262 -3.376 10.794 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.410 -3.411 10.270 1.00 0.00 H new ATOM 0 HG LEU A 28 0.168 -5.717 11.774 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.247 -6.780 9.591 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.212 -5.299 9.800 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.240 -5.277 8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.962 -6.992 10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.537 -5.497 9.888 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.612 -5.666 11.658 1.00 0.00 H new ATOM 500 N PRO A 29 1.802 -1.131 13.369 1.00 0.00 N ATOM 501 CA PRO A 29 1.845 0.327 13.515 1.00 0.00 C ATOM 502 C PRO A 29 2.613 1.001 12.385 1.00 0.00 C ATOM 503 O PRO A 29 3.838 0.888 12.299 1.00 0.00 O ATOM 504 CB PRO A 29 2.568 0.528 14.849 1.00 0.00 C ATOM 505 CG PRO A 29 3.397 -0.697 15.019 1.00 0.00 C ATOM 506 CD PRO A 29 2.617 -1.816 14.387 1.00 0.00 C ATOM 0 HA PRO A 29 0.849 0.769 13.483 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.187 1.425 14.833 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.860 0.644 15.670 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.369 -0.580 14.540 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.584 -0.899 16.074 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.274 -2.562 13.940 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.996 -2.335 15.117 1.00 0.00 H new ATOM 514 N LEU A 30 1.890 1.701 11.518 1.00 0.00 N ATOM 515 CA LEU A 30 2.505 2.396 10.392 1.00 0.00 C ATOM 516 C LEU A 30 3.560 3.386 10.872 1.00 0.00 C ATOM 517 O LEU A 30 3.236 4.490 11.311 1.00 0.00 O ATOM 518 CB LEU A 30 1.438 3.126 9.574 1.00 0.00 C ATOM 519 CG LEU A 30 0.276 2.270 9.070 1.00 0.00 C ATOM 520 CD1 LEU A 30 -0.989 3.107 8.946 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.625 1.627 7.737 1.00 0.00 C ATOM 0 H LEU A 30 0.877 1.803 11.573 1.00 0.00 H new ATOM 0 HA LEU A 30 2.993 1.653 9.761 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.031 3.933 10.183 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.922 3.589 8.714 1.00 0.00 H new ATOM 0 HG LEU A 30 0.093 1.477 9.795 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.806 2.481 8.586 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.250 3.519 9.921 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.819 3.922 8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.214 1.022 7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.836 2.404 7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.504 0.994 7.858 1.00 0.00 H new ATOM 533 N ALA A 31 4.824 2.985 10.786 1.00 0.00 N ATOM 534 CA ALA A 31 5.927 3.839 11.209 1.00 0.00 C ATOM 535 C ALA A 31 6.364 4.770 10.082 1.00 0.00 C ATOM 536 O ALA A 31 7.555 4.988 9.870 1.00 0.00 O ATOM 537 CB ALA A 31 7.100 2.992 11.680 1.00 0.00 C ATOM 0 H ALA A 31 5.110 2.074 10.427 1.00 0.00 H new ATOM 0 HA ALA A 31 5.580 4.454 12.040 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.916 3.643 11.993 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.787 2.373 12.521 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.438 2.353 10.864 1.00 0.00 H new ATOM 543 N GLY A 32 5.389 5.315 9.360 1.00 0.00 N ATOM 544 CA GLY A 32 5.693 6.216 8.263 1.00 0.00 C ATOM 545 C GLY A 32 4.559 7.180 7.973 1.00 0.00 C ATOM 546 O GLY A 32 4.034 7.821 8.883 1.00 0.00 O ATOM 0 H GLY A 32 4.395 5.149 9.515 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.594 6.781 8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.908 5.633 7.367 1.00 0.00 H new ATOM 550 N GLN A 33 4.183 7.283 6.703 1.00 0.00 N ATOM 551 CA GLN A 33 3.107 8.178 6.296 1.00 0.00 C ATOM 552 C GLN A 33 1.962 7.398 5.658 1.00 0.00 C ATOM 553 O GLN A 33 2.173 6.338 5.069 1.00 0.00 O ATOM 554 CB GLN A 33 3.632 9.229 5.317 1.00 0.00 C ATOM 555 CG GLN A 33 3.971 8.668 3.945 1.00 0.00 C ATOM 556 CD GLN A 33 4.864 9.591 3.141 1.00 0.00 C ATOM 557 OE1 GLN A 33 6.114 9.186 2.946 1.00 0.00 O flip ATOM 558 NE2 GLN A 33 4.436 10.658 2.699 1.00 0.00 N flip ATOM 0 H GLN A 33 4.607 6.758 5.938 1.00 0.00 H new ATOM 0 HA GLN A 33 2.729 8.679 7.187 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.884 10.014 5.205 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.522 9.695 5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.465 7.703 4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.049 8.489 3.392 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.468 10.930 2.872 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.049 11.269 2.160 1.00 0.00 H new ATOM 567 N VAL A 34 0.750 7.931 5.779 1.00 0.00 N ATOM 568 CA VAL A 34 -0.428 7.284 5.213 1.00 0.00 C ATOM 569 C VAL A 34 -1.142 8.206 4.230 1.00 0.00 C ATOM 570 O VAL A 34 -1.327 9.394 4.499 1.00 0.00 O ATOM 571 CB VAL A 34 -1.419 6.861 6.314 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.600 6.115 5.711 1.00 0.00 C ATOM 573 CG2 VAL A 34 -0.717 6.008 7.361 1.00 0.00 C ATOM 0 H VAL A 34 0.558 8.808 6.263 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.079 6.396 4.687 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.798 7.758 6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.290 5.824 6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.115 6.762 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.243 5.224 5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.431 5.717 8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.309 5.114 6.888 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.093 6.581 7.814 1.00 0.00 H new ATOM 583 N LEU A 35 -1.541 7.652 3.091 1.00 0.00 N ATOM 584 CA LEU A 35 -2.236 8.425 2.066 1.00 0.00 C ATOM 585 C LEU A 35 -3.519 7.724 1.634 1.00 0.00 C ATOM 586 O LEU A 35 -3.521 6.524 1.355 1.00 0.00 O ATOM 587 CB LEU A 35 -1.326 8.638 0.856 1.00 0.00 C ATOM 588 CG LEU A 35 -0.434 9.880 0.899 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.903 9.556 1.548 1.00 0.00 C ATOM 590 CD2 LEU A 35 -0.226 10.436 -0.502 1.00 0.00 C ATOM 0 H LEU A 35 -1.396 6.671 2.853 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.498 9.394 2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.689 7.761 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.949 8.693 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.932 10.640 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.524 10.452 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.737 9.205 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.407 8.779 0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.411 11.319 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.250 9.680 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.190 10.708 -0.932 1.00 0.00 H new ATOM 602 N LEU A 36 -4.610 8.480 1.577 1.00 0.00 N ATOM 603 CA LEU A 36 -5.902 7.933 1.177 1.00 0.00 C ATOM 604 C LEU A 36 -6.406 8.606 -0.096 1.00 0.00 C ATOM 605 O LEU A 36 -6.697 9.803 -0.105 1.00 0.00 O ATOM 606 CB LEU A 36 -6.924 8.108 2.301 1.00 0.00 C ATOM 607 CG LEU A 36 -8.383 7.847 1.928 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.605 6.370 1.638 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.310 8.320 3.036 1.00 0.00 C ATOM 0 H LEU A 36 -4.626 9.475 1.803 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.773 6.869 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.654 7.439 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.844 9.126 2.682 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.613 8.412 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.650 6.204 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.968 6.062 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.357 5.784 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.344 8.126 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.079 7.784 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.172 9.390 3.194 1.00 0.00 H new ATOM 621 N LYS A 37 -6.512 7.830 -1.169 1.00 0.00 N ATOM 622 CA LYS A 37 -6.985 8.349 -2.447 1.00 0.00 C ATOM 623 C LYS A 37 -8.367 7.796 -2.780 1.00 0.00 C ATOM 624 O LYS A 37 -8.776 6.762 -2.253 1.00 0.00 O ATOM 625 CB LYS A 37 -6.000 7.994 -3.562 1.00 0.00 C ATOM 626 CG LYS A 37 -4.721 8.813 -3.529 1.00 0.00 C ATOM 627 CD LYS A 37 -4.938 10.208 -4.092 1.00 0.00 C ATOM 628 CE LYS A 37 -3.617 10.905 -4.377 1.00 0.00 C ATOM 629 NZ LYS A 37 -2.995 10.421 -5.640 1.00 0.00 N ATOM 0 H LYS A 37 -6.276 6.838 -1.179 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.056 9.434 -2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.746 6.937 -3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.488 8.138 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.361 8.886 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.947 8.304 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.523 10.144 -5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.518 10.801 -3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.781 11.981 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.931 10.737 -3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.105 10.933 -5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.800 9.402 -5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.645 10.589 -6.434 1.00 0.00 H new ATOM 643 N SER A 38 -9.082 8.493 -3.658 1.00 0.00 N ATOM 644 CA SER A 38 -10.420 8.072 -4.059 1.00 0.00 C ATOM 645 C SER A 38 -10.362 6.787 -4.877 1.00 0.00 C ATOM 646 O SER A 38 -10.246 6.820 -6.101 1.00 0.00 O ATOM 647 CB SER A 38 -11.102 9.176 -4.869 1.00 0.00 C ATOM 648 OG SER A 38 -11.532 10.234 -4.030 1.00 0.00 O ATOM 0 H SER A 38 -8.758 9.351 -4.105 1.00 0.00 H new ATOM 0 HA SER A 38 -11.001 7.881 -3.157 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.411 9.561 -5.619 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.956 8.763 -5.405 1.00 0.00 H new ATOM 0 HG SER A 38 -11.963 10.927 -4.572 1.00 0.00 H new ATOM 654 N GLY A 39 -10.444 5.651 -4.190 1.00 0.00 N ATOM 655 CA GLY A 39 -10.400 4.369 -4.868 1.00 0.00 C ATOM 656 C GLY A 39 -9.178 3.555 -4.491 1.00 0.00 C ATOM 657 O GLY A 39 -9.119 2.353 -4.752 1.00 0.00 O ATOM 0 H GLY A 39 -10.540 5.596 -3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.299 3.802 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.406 4.531 -5.946 1.00 0.00 H new ATOM 661 N TYR A 40 -8.200 4.210 -3.874 1.00 0.00 N ATOM 662 CA TYR A 40 -6.972 3.541 -3.463 1.00 0.00 C ATOM 663 C TYR A 40 -6.306 4.285 -2.311 1.00 0.00 C ATOM 664 O TYR A 40 -6.778 5.336 -1.880 1.00 0.00 O ATOM 665 CB TYR A 40 -6.005 3.433 -4.644 1.00 0.00 C ATOM 666 CG TYR A 40 -5.933 4.689 -5.483 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.915 4.979 -6.421 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.882 5.587 -5.335 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.852 6.125 -7.191 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.812 6.736 -6.099 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.799 7.000 -7.025 1.00 0.00 C ATOM 672 OH TYR A 40 -5.733 8.143 -7.788 1.00 0.00 O ATOM 0 H TYR A 40 -8.234 5.204 -3.648 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.231 2.539 -3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.009 3.200 -4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.309 2.600 -5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.742 4.297 -6.551 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.107 5.383 -4.611 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.623 6.334 -7.918 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.989 7.424 -5.972 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.930 8.651 -7.547 1.00 0.00 H new ATOM 682 N ALA A 41 -5.202 3.731 -1.817 1.00 0.00 N ATOM 683 CA ALA A 41 -4.468 4.343 -0.717 1.00 0.00 C ATOM 684 C ALA A 41 -3.019 3.866 -0.692 1.00 0.00 C ATOM 685 O ALA A 41 -2.712 2.757 -1.127 1.00 0.00 O ATOM 686 CB ALA A 41 -5.149 4.035 0.608 1.00 0.00 C ATOM 0 H ALA A 41 -4.798 2.860 -2.162 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.466 5.422 -0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.590 4.498 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.165 4.430 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.181 2.956 0.759 1.00 0.00 H new ATOM 692 N PHE A 42 -2.132 4.713 -0.181 1.00 0.00 N ATOM 693 CA PHE A 42 -0.714 4.379 -0.101 1.00 0.00 C ATOM 694 C PHE A 42 -0.230 4.408 1.346 1.00 0.00 C ATOM 695 O PHE A 42 -0.582 5.304 2.113 1.00 0.00 O ATOM 696 CB PHE A 42 0.109 5.353 -0.946 1.00 0.00 C ATOM 697 CG PHE A 42 -0.450 5.572 -2.323 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.391 4.569 -3.277 1.00 0.00 C ATOM 699 CD2 PHE A 42 -1.034 6.782 -2.664 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.904 4.768 -4.544 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.548 6.987 -3.930 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.485 5.978 -4.871 1.00 0.00 C ATOM 0 H PHE A 42 -2.369 5.635 0.184 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.581 3.370 -0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.166 6.311 -0.429 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.128 4.976 -1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.061 3.621 -3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.088 7.574 -1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.851 3.978 -5.279 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.999 7.935 -4.183 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.889 6.135 -5.860 1.00 0.00 H new ATOM 712 N VAL A 43 0.582 3.420 1.711 1.00 0.00 N ATOM 713 CA VAL A 43 1.117 3.332 3.065 1.00 0.00 C ATOM 714 C VAL A 43 2.618 3.071 3.047 1.00 0.00 C ATOM 715 O VAL A 43 3.117 2.308 2.220 1.00 0.00 O ATOM 716 CB VAL A 43 0.424 2.217 3.870 1.00 0.00 C ATOM 717 CG1 VAL A 43 -0.999 2.620 4.224 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.438 0.909 3.091 1.00 0.00 C ATOM 0 H VAL A 43 0.883 2.670 1.089 1.00 0.00 H new ATOM 0 HA VAL A 43 0.924 4.291 3.545 1.00 0.00 H new ATOM 0 HB VAL A 43 0.976 2.067 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.473 1.820 4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.981 3.530 4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.565 2.799 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.056 0.132 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.089 1.043 2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.469 0.614 2.893 1.00 0.00 H new ATOM 728 N ASP A 44 3.335 3.712 3.964 1.00 0.00 N ATOM 729 CA ASP A 44 4.782 3.549 4.055 1.00 0.00 C ATOM 730 C ASP A 44 5.143 2.427 5.023 1.00 0.00 C ATOM 731 O ASP A 44 4.771 2.464 6.197 1.00 0.00 O ATOM 732 CB ASP A 44 5.437 4.857 4.502 1.00 0.00 C ATOM 733 CG ASP A 44 6.908 4.921 4.141 1.00 0.00 C ATOM 734 OD1 ASP A 44 7.223 5.347 3.010 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.744 4.544 4.989 1.00 0.00 O ATOM 0 H ASP A 44 2.938 4.349 4.655 1.00 0.00 H new ATOM 0 HA ASP A 44 5.156 3.284 3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.916 5.697 4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.326 4.966 5.581 1.00 0.00 H new ATOM 740 N TYR A 45 5.867 1.433 4.525 1.00 0.00 N ATOM 741 CA TYR A 45 6.275 0.298 5.346 1.00 0.00 C ATOM 742 C TYR A 45 7.645 0.543 5.971 1.00 0.00 C ATOM 743 O TYR A 45 8.535 1.142 5.366 1.00 0.00 O ATOM 744 CB TYR A 45 6.306 -0.980 4.506 1.00 0.00 C ATOM 745 CG TYR A 45 7.389 -0.985 3.450 1.00 0.00 C ATOM 746 CD1 TYR A 45 8.670 -1.437 3.742 1.00 0.00 C ATOM 747 CD2 TYR A 45 7.130 -0.538 2.160 1.00 0.00 C ATOM 748 CE1 TYR A 45 9.661 -1.442 2.780 1.00 0.00 C ATOM 749 CE2 TYR A 45 8.115 -0.542 1.192 1.00 0.00 C ATOM 750 CZ TYR A 45 9.379 -0.994 1.506 1.00 0.00 C ATOM 751 OH TYR A 45 10.364 -0.998 0.546 1.00 0.00 O ATOM 0 H TYR A 45 6.184 1.389 3.557 1.00 0.00 H new ATOM 0 HA TYR A 45 5.546 0.180 6.148 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.450 -1.835 5.166 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.338 -1.110 4.022 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.894 -1.790 4.738 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.142 -0.181 1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.652 -1.795 3.024 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.896 -0.193 0.194 1.00 0.00 H new ATOM 0 HH TYR A 45 9.959 -0.885 -0.339 1.00 0.00 H new ATOM 761 N PRO A 46 7.820 0.069 7.213 1.00 0.00 N ATOM 762 CA PRO A 46 9.079 0.222 7.948 1.00 0.00 C ATOM 763 C PRO A 46 10.202 -0.627 7.361 1.00 0.00 C ATOM 764 O PRO A 46 11.300 -0.131 7.107 1.00 0.00 O ATOM 765 CB PRO A 46 8.728 -0.260 9.358 1.00 0.00 C ATOM 766 CG PRO A 46 7.581 -1.192 9.164 1.00 0.00 C ATOM 767 CD PRO A 46 6.804 -0.656 7.995 1.00 0.00 C ATOM 0 HA PRO A 46 9.449 1.247 7.911 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.573 -0.764 9.826 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.456 0.574 10.005 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.931 -2.206 8.968 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.959 -1.237 10.058 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.347 -1.458 7.415 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.998 0.004 8.317 1.00 0.00 H new ATOM 775 N ASP A 47 9.919 -1.907 7.145 1.00 0.00 N ATOM 776 CA ASP A 47 10.904 -2.824 6.585 1.00 0.00 C ATOM 777 C ASP A 47 10.257 -3.766 5.575 1.00 0.00 C ATOM 778 O ASP A 47 9.033 -3.852 5.489 1.00 0.00 O ATOM 779 CB ASP A 47 11.572 -3.631 7.699 1.00 0.00 C ATOM 780 CG ASP A 47 10.566 -4.252 8.647 1.00 0.00 C ATOM 781 OD1 ASP A 47 10.018 -3.516 9.496 1.00 0.00 O ATOM 782 OD2 ASP A 47 10.326 -5.472 8.541 1.00 0.00 O ATOM 0 H ASP A 47 9.015 -2.333 7.349 1.00 0.00 H new ATOM 0 HA ASP A 47 11.662 -2.234 6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.184 -4.417 7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.244 -2.982 8.261 1.00 0.00 H new ATOM 787 N GLN A 48 11.088 -4.470 4.812 1.00 0.00 N ATOM 788 CA GLN A 48 10.596 -5.404 3.807 1.00 0.00 C ATOM 789 C GLN A 48 9.804 -6.534 4.456 1.00 0.00 C ATOM 790 O GLN A 48 8.788 -6.978 3.923 1.00 0.00 O ATOM 791 CB GLN A 48 11.762 -5.981 3.002 1.00 0.00 C ATOM 792 CG GLN A 48 11.332 -6.964 1.926 1.00 0.00 C ATOM 793 CD GLN A 48 12.499 -7.491 1.116 1.00 0.00 C ATOM 794 OE1 GLN A 48 13.170 -8.442 1.516 1.00 0.00 O ATOM 795 NE2 GLN A 48 12.749 -6.873 -0.033 1.00 0.00 N ATOM 0 H GLN A 48 12.105 -4.411 4.871 1.00 0.00 H new ATOM 0 HA GLN A 48 9.933 -4.859 3.135 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.311 -5.163 2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.451 -6.480 3.683 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.811 -7.801 2.391 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.621 -6.477 1.258 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.168 -6.088 -0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.522 -7.183 -0.621 1.00 0.00 H new ATOM 804 N ASN A 49 10.276 -6.995 5.610 1.00 0.00 N ATOM 805 CA ASN A 49 9.611 -8.074 6.331 1.00 0.00 C ATOM 806 C ASN A 49 8.221 -7.645 6.792 1.00 0.00 C ATOM 807 O ASN A 49 7.259 -8.405 6.686 1.00 0.00 O ATOM 808 CB ASN A 49 10.451 -8.503 7.536 1.00 0.00 C ATOM 809 CG ASN A 49 9.765 -9.570 8.368 1.00 0.00 C ATOM 810 OD1 ASN A 49 9.546 -9.394 9.566 1.00 0.00 O ATOM 811 ND2 ASN A 49 9.425 -10.686 7.733 1.00 0.00 N ATOM 0 H ASN A 49 11.116 -6.638 6.065 1.00 0.00 H new ATOM 0 HA ASN A 49 9.504 -8.920 5.652 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.413 -8.879 7.189 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.655 -7.634 8.161 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.963 -11.441 8.240 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.626 -10.788 6.738 1.00 0.00 H new ATOM 818 N TRP A 50 8.125 -6.423 7.302 1.00 0.00 N ATOM 819 CA TRP A 50 6.852 -5.892 7.779 1.00 0.00 C ATOM 820 C TRP A 50 5.845 -5.787 6.639 1.00 0.00 C ATOM 821 O TRP A 50 4.674 -6.131 6.800 1.00 0.00 O ATOM 822 CB TRP A 50 7.058 -4.521 8.423 1.00 0.00 C ATOM 823 CG TRP A 50 5.784 -3.895 8.907 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.340 -3.836 10.197 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.791 -3.243 8.107 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.130 -3.186 10.248 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.773 -2.812 8.979 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.666 -2.979 6.741 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.644 -2.133 8.526 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.546 -2.307 6.293 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.547 -1.888 7.183 1.00 0.00 C ATOM 0 H TRP A 50 8.912 -5.781 7.396 1.00 0.00 H new ATOM 0 HA TRP A 50 6.456 -6.580 8.526 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.747 -4.621 9.262 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.530 -3.855 7.701 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.863 -4.240 11.051 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.586 -3.011 11.093 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.432 -3.295 6.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.873 -1.811 9.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.438 -2.101 5.238 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.684 -1.362 6.802 1.00 0.00 H new ATOM 842 N ALA A 51 6.309 -5.312 5.488 1.00 0.00 N ATOM 843 CA ALA A 51 5.448 -5.164 4.321 1.00 0.00 C ATOM 844 C ALA A 51 4.931 -6.518 3.845 1.00 0.00 C ATOM 845 O ALA A 51 3.747 -6.668 3.540 1.00 0.00 O ATOM 846 CB ALA A 51 6.196 -4.459 3.200 1.00 0.00 C ATOM 0 H ALA A 51 7.276 -5.023 5.339 1.00 0.00 H new ATOM 0 HA ALA A 51 4.589 -4.557 4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.541 -4.355 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.511 -3.472 3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.073 -5.044 2.923 1.00 0.00 H new ATOM 852 N ILE A 52 5.824 -7.499 3.785 1.00 0.00 N ATOM 853 CA ILE A 52 5.457 -8.839 3.347 1.00 0.00 C ATOM 854 C ILE A 52 4.487 -9.493 4.327 1.00 0.00 C ATOM 855 O ILE A 52 3.499 -10.105 3.922 1.00 0.00 O ATOM 856 CB ILE A 52 6.696 -9.741 3.192 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.672 -9.133 2.182 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.283 -11.141 2.763 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.083 -9.662 2.313 1.00 0.00 C ATOM 0 H ILE A 52 6.807 -7.391 4.034 1.00 0.00 H new ATOM 0 HA ILE A 52 4.972 -8.730 2.377 1.00 0.00 H new ATOM 0 HB ILE A 52 7.198 -9.813 4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.310 -9.332 1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.685 -8.050 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.170 -11.766 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.622 -11.572 3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.760 -11.090 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.720 -9.188 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.464 -9.439 3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.083 -10.741 2.158 1.00 0.00 H new ATOM 871 N ARG A 53 4.776 -9.354 5.617 1.00 0.00 N ATOM 872 CA ARG A 53 3.929 -9.929 6.655 1.00 0.00 C ATOM 873 C ARG A 53 2.593 -9.197 6.734 1.00 0.00 C ATOM 874 O ARG A 53 1.549 -9.812 6.948 1.00 0.00 O ATOM 875 CB ARG A 53 4.636 -9.870 8.010 1.00 0.00 C ATOM 876 CG ARG A 53 4.001 -10.757 9.068 1.00 0.00 C ATOM 877 CD ARG A 53 4.302 -12.226 8.816 1.00 0.00 C ATOM 878 NE ARG A 53 5.724 -12.527 8.962 1.00 0.00 N ATOM 879 CZ ARG A 53 6.356 -12.539 10.131 1.00 0.00 C ATOM 880 NH1 ARG A 53 5.695 -12.269 11.248 1.00 0.00 N ATOM 881 NH2 ARG A 53 7.651 -12.822 10.182 1.00 0.00 N ATOM 0 H ARG A 53 5.590 -8.849 5.968 1.00 0.00 H new ATOM 0 HA ARG A 53 3.738 -10.971 6.397 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.678 -10.163 7.880 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.637 -8.839 8.365 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.371 -10.472 10.053 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.922 -10.601 9.075 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.729 -12.838 9.512 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.976 -12.496 7.812 1.00 0.00 H new ATOM 0 HE ARG A 53 6.261 -12.739 8.121 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.699 -12.051 11.211 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.182 -12.279 12.144 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.162 -13.030 9.324 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.136 -12.831 11.079 1.00 0.00 H new ATOM 895 N ALA A 54 2.634 -7.880 6.559 1.00 0.00 N ATOM 896 CA ALA A 54 1.426 -7.065 6.609 1.00 0.00 C ATOM 897 C ALA A 54 0.542 -7.319 5.393 1.00 0.00 C ATOM 898 O ALA A 54 -0.668 -7.509 5.523 1.00 0.00 O ATOM 899 CB ALA A 54 1.789 -5.591 6.702 1.00 0.00 C ATOM 0 H ALA A 54 3.490 -7.355 6.381 1.00 0.00 H new ATOM 0 HA ALA A 54 0.863 -7.346 7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.878 -4.994 6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.374 -5.417 7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.376 -5.305 5.829 1.00 0.00 H new ATOM 905 N ILE A 55 1.152 -7.320 4.213 1.00 0.00 N ATOM 906 CA ILE A 55 0.419 -7.552 2.974 1.00 0.00 C ATOM 907 C ILE A 55 -0.208 -8.941 2.958 1.00 0.00 C ATOM 908 O ILE A 55 -1.389 -9.096 2.644 1.00 0.00 O ATOM 909 CB ILE A 55 1.333 -7.398 1.743 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.663 -5.923 1.506 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.669 -8.002 0.514 1.00 0.00 C ATOM 912 CD1 ILE A 55 2.966 -5.707 0.768 1.00 0.00 C ATOM 0 H ILE A 55 2.152 -7.163 4.088 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.369 -6.801 2.928 1.00 0.00 H new ATOM 0 HB ILE A 55 2.264 -7.933 1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.853 -5.464 0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.710 -5.410 2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.326 -7.886 -0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.480 -9.062 0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.275 -7.491 0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.136 -4.639 0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.786 -6.136 1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.916 -6.191 -0.208 1.00 0.00 H new ATOM 924 N GLU A 56 0.588 -9.949 3.300 1.00 0.00 N ATOM 925 CA GLU A 56 0.109 -11.325 3.326 1.00 0.00 C ATOM 926 C GLU A 56 -1.022 -11.489 4.337 1.00 0.00 C ATOM 927 O GLU A 56 -2.005 -12.186 4.080 1.00 0.00 O ATOM 928 CB GLU A 56 1.255 -12.281 3.666 1.00 0.00 C ATOM 929 CG GLU A 56 1.119 -13.649 3.018 1.00 0.00 C ATOM 930 CD GLU A 56 0.771 -13.565 1.545 1.00 0.00 C ATOM 931 OE1 GLU A 56 -0.433 -13.491 1.222 1.00 0.00 O ATOM 932 OE2 GLU A 56 1.704 -13.571 0.715 1.00 0.00 O ATOM 0 H GLU A 56 1.567 -9.838 3.563 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.275 -11.568 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.197 -11.832 3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.305 -12.404 4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.054 -14.197 3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.348 -14.218 3.538 1.00 0.00 H new ATOM 939 N THR A 57 -0.877 -10.841 5.489 1.00 0.00 N ATOM 940 CA THR A 57 -1.884 -10.916 6.539 1.00 0.00 C ATOM 941 C THR A 57 -3.060 -9.994 6.240 1.00 0.00 C ATOM 942 O THR A 57 -4.165 -10.194 6.746 1.00 0.00 O ATOM 943 CB THR A 57 -1.292 -10.546 7.913 1.00 0.00 C ATOM 944 OG1 THR A 57 -0.474 -11.616 8.398 1.00 0.00 O ATOM 945 CG2 THR A 57 -2.396 -10.249 8.916 1.00 0.00 C ATOM 0 H THR A 57 -0.072 -10.258 5.718 1.00 0.00 H new ATOM 0 HA THR A 57 -2.234 -11.948 6.568 1.00 0.00 H new ATOM 0 HB THR A 57 -0.683 -9.650 7.792 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.457 -11.463 8.132 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.954 -9.990 9.878 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.998 -9.414 8.558 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.028 -11.129 9.032 1.00 0.00 H new ATOM 953 N LEU A 58 -2.817 -8.981 5.415 1.00 0.00 N ATOM 954 CA LEU A 58 -3.856 -8.026 5.048 1.00 0.00 C ATOM 955 C LEU A 58 -4.438 -8.356 3.677 1.00 0.00 C ATOM 956 O LEU A 58 -5.579 -8.804 3.567 1.00 0.00 O ATOM 957 CB LEU A 58 -3.293 -6.603 5.047 1.00 0.00 C ATOM 958 CG LEU A 58 -2.897 -6.038 6.411 1.00 0.00 C ATOM 959 CD1 LEU A 58 -2.103 -4.751 6.245 1.00 0.00 C ATOM 960 CD2 LEU A 58 -4.131 -5.797 7.268 1.00 0.00 C ATOM 0 H LEU A 58 -1.909 -8.800 4.988 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.654 -8.093 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.417 -6.581 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.036 -5.940 4.603 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.266 -6.769 6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.830 -4.363 7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.199 -4.953 5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.710 -4.014 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.829 -5.395 8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.788 -5.085 6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.661 -6.738 7.416 1.00 0.00 H new ATOM 972 N SER A 59 -3.645 -8.132 2.634 1.00 0.00 N ATOM 973 CA SER A 59 -4.082 -8.404 1.269 1.00 0.00 C ATOM 974 C SER A 59 -4.517 -9.859 1.118 1.00 0.00 C ATOM 975 O SER A 59 -3.711 -10.778 1.261 1.00 0.00 O ATOM 976 CB SER A 59 -2.958 -8.091 0.280 1.00 0.00 C ATOM 977 OG SER A 59 -3.417 -8.182 -1.058 1.00 0.00 O ATOM 0 H SER A 59 -2.697 -7.763 2.708 1.00 0.00 H new ATOM 0 HA SER A 59 -4.936 -7.763 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.572 -7.089 0.468 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.131 -8.785 0.432 1.00 0.00 H new ATOM 0 HG SER A 59 -2.653 -8.135 -1.670 1.00 0.00 H new ATOM 983 N GLY A 60 -5.799 -10.059 0.828 1.00 0.00 N ATOM 984 CA GLY A 60 -6.320 -11.405 0.662 1.00 0.00 C ATOM 985 C GLY A 60 -6.664 -12.060 1.985 1.00 0.00 C ATOM 986 O GLY A 60 -7.193 -13.171 2.017 1.00 0.00 O ATOM 0 H GLY A 60 -6.486 -9.315 0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.210 -11.372 0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.583 -12.015 0.139 1.00 0.00 H new ATOM 990 N LYS A 61 -6.363 -11.372 3.081 1.00 0.00 N ATOM 991 CA LYS A 61 -6.644 -11.893 4.413 1.00 0.00 C ATOM 992 C LYS A 61 -7.455 -10.893 5.229 1.00 0.00 C ATOM 993 O LYS A 61 -7.659 -11.075 6.429 1.00 0.00 O ATOM 994 CB LYS A 61 -5.337 -12.219 5.141 1.00 0.00 C ATOM 995 CG LYS A 61 -4.832 -13.628 4.880 1.00 0.00 C ATOM 996 CD LYS A 61 -5.684 -14.667 5.592 1.00 0.00 C ATOM 997 CE LYS A 61 -5.396 -14.696 7.085 1.00 0.00 C ATOM 998 NZ LYS A 61 -6.435 -15.453 7.836 1.00 0.00 N ATOM 0 H LYS A 61 -5.924 -10.451 3.073 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.230 -12.805 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.572 -11.505 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.485 -12.088 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.837 -13.825 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.798 -13.713 5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.739 -14.448 5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.493 -15.651 5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.420 -15.150 7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.345 -13.676 7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.202 -15.449 8.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.363 -15.005 7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.467 -16.434 7.492 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.919 -9.835 4.570 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.711 -8.807 5.234 1.00 0.00 C ATOM 1014 C VAL A 62 -9.740 -8.207 4.284 1.00 0.00 C ATOM 1015 O VAL A 62 -9.413 -7.818 3.163 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.818 -7.679 5.785 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.667 -6.585 6.414 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -6.818 -8.233 6.789 1.00 0.00 C ATOM 0 H VAL A 62 -7.760 -9.668 3.576 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.226 -9.291 6.064 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.261 -7.242 4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.019 -5.797 6.798 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.339 -6.169 5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.252 -7.004 7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.196 -7.422 7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.353 -8.697 7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.188 -8.977 6.302 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.988 -8.135 4.739 1.00 0.00 N ATOM 1029 CA GLU A 63 -12.065 -7.582 3.928 1.00 0.00 C ATOM 1030 C GLU A 63 -12.533 -6.240 4.485 1.00 0.00 C ATOM 1031 O GLU A 63 -12.518 -6.019 5.697 1.00 0.00 O ATOM 1032 CB GLU A 63 -13.242 -8.559 3.869 1.00 0.00 C ATOM 1033 CG GLU A 63 -14.290 -8.188 2.834 1.00 0.00 C ATOM 1034 CD GLU A 63 -15.497 -9.107 2.871 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -16.326 -8.960 3.793 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -15.611 -9.971 1.977 1.00 0.00 O ATOM 0 H GLU A 63 -11.277 -8.453 5.664 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.681 -7.424 2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.864 -9.557 3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.714 -8.606 4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.614 -7.161 3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.842 -8.222 1.841 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.947 -5.348 3.592 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.418 -4.027 3.993 1.00 0.00 C ATOM 1045 C LEU A 64 -14.670 -3.637 3.215 1.00 0.00 C ATOM 1046 O LEU A 64 -14.650 -3.550 1.987 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.321 -2.984 3.772 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.331 -1.787 4.724 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.325 -2.256 6.171 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.142 -0.878 4.451 1.00 0.00 C ATOM 0 H LEU A 64 -12.966 -5.515 2.586 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.668 -4.063 5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.354 -3.480 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.402 -2.611 2.751 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.244 -1.218 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.332 -1.391 6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.209 -2.865 6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.429 -2.849 6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.166 -0.032 5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.217 -1.436 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.190 -0.514 3.425 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.760 -3.400 3.938 1.00 0.00 N ATOM 1063 CA HIS A 65 -17.022 -3.016 3.316 1.00 0.00 C ATOM 1064 C HIS A 65 -17.536 -4.122 2.400 1.00 0.00 C ATOM 1065 O HIS A 65 -18.275 -3.864 1.452 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.850 -1.720 2.522 1.00 0.00 C ATOM 1067 CG HIS A 65 -16.935 -0.485 3.364 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -15.989 0.162 4.086 1.00 0.00 N flip ATOM 1069 CD2 HIS A 65 -18.102 0.228 3.539 1.00 0.00 C flip ATOM 1070 CE1 HIS A 65 -16.596 1.244 4.676 1.00 0.00 C flip ATOM 1071 NE2 HIS A 65 -17.871 1.262 4.329 1.00 0.00 N flip ATOM 0 H HIS A 65 -15.795 -3.467 4.955 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.754 -2.855 4.108 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.885 -1.739 2.016 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.615 -1.674 1.747 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -19.057 -0.020 3.099 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.110 1.963 5.319 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -18.559 1.956 4.621 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.138 -5.357 2.692 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.567 -6.485 1.886 1.00 0.00 C ATOM 1081 C GLY A 66 -16.624 -6.765 0.732 1.00 0.00 C ATOM 1082 O GLY A 66 -16.701 -7.818 0.098 1.00 0.00 O ATOM 0 H GLY A 66 -16.526 -5.596 3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.638 -7.372 2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.566 -6.290 1.496 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.730 -5.821 0.458 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.768 -5.969 -0.628 1.00 0.00 C ATOM 1088 C LYS A 67 -13.381 -6.293 -0.083 1.00 0.00 C ATOM 1089 O LYS A 67 -12.896 -5.635 0.838 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.713 -4.691 -1.467 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.081 -4.162 -1.861 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.064 -2.653 -2.044 1.00 0.00 C ATOM 1093 CE LYS A 67 -17.097 -2.204 -3.065 1.00 0.00 C ATOM 1094 NZ LYS A 67 -17.004 -0.744 -3.344 1.00 0.00 N ATOM 0 H LYS A 67 -15.652 -4.944 0.974 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.094 -6.795 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.183 -3.921 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.134 -4.884 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.403 -4.638 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.810 -4.428 -1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.261 -2.167 -1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.072 -2.335 -2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.957 -2.760 -3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.096 -2.441 -2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.629 -0.502 -4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.295 -0.210 -2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.023 -0.499 -3.588 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.746 -7.309 -0.658 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.414 -7.718 -0.232 1.00 0.00 C ATOM 1110 C ILE A 68 -10.376 -6.656 -0.580 1.00 0.00 C ATOM 1111 O ILE A 68 -10.312 -6.185 -1.715 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.002 -9.054 -0.877 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -11.885 -10.189 -0.357 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.535 -9.346 -0.597 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -11.741 -10.437 1.128 1.00 0.00 C ATOM 0 H ILE A 68 -13.133 -7.864 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.453 -7.844 0.850 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.138 -8.978 -1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.927 -9.958 -0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.640 -11.105 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.258 -10.294 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.920 -8.547 -1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.375 -9.407 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.397 -11.255 1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.708 -10.699 1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.015 -9.535 1.676 1.00 0.00 H new ATOM 1127 N MET A 69 -9.564 -6.285 0.404 1.00 0.00 N ATOM 1128 CA MET A 69 -8.526 -5.281 0.201 1.00 0.00 C ATOM 1129 C MET A 69 -7.276 -5.907 -0.409 1.00 0.00 C ATOM 1130 O MET A 69 -6.807 -6.949 0.048 1.00 0.00 O ATOM 1131 CB MET A 69 -8.176 -4.603 1.527 1.00 0.00 C ATOM 1132 CG MET A 69 -7.059 -5.297 2.288 1.00 0.00 C ATOM 1133 SD MET A 69 -7.003 -4.823 4.026 1.00 0.00 S ATOM 1134 CE MET A 69 -6.312 -3.176 3.907 1.00 0.00 C ATOM 0 H MET A 69 -9.605 -6.664 1.350 1.00 0.00 H new ATOM 0 HA MET A 69 -8.910 -4.532 -0.491 1.00 0.00 H new ATOM 0 HB2 MET A 69 -7.885 -3.571 1.332 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.066 -4.570 2.155 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.191 -6.376 2.214 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.104 -5.060 1.820 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.521 -3.059 4.648 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.900 -3.026 2.909 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.094 -2.439 4.091 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.743 -5.265 -1.444 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.548 -5.761 -2.116 1.00 0.00 C ATOM 1146 C GLU A 70 -4.374 -4.807 -1.914 1.00 0.00 C ATOM 1147 O GLU A 70 -4.471 -3.614 -2.204 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.817 -5.947 -3.611 1.00 0.00 C ATOM 1149 CG GLU A 70 -4.835 -6.884 -4.294 1.00 0.00 C ATOM 1150 CD GLU A 70 -4.975 -6.875 -5.805 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -4.417 -5.959 -6.445 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -5.640 -7.783 -6.345 1.00 0.00 O ATOM 0 H GLU A 70 -7.120 -4.401 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.290 -6.725 -1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.828 -6.333 -3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.780 -4.975 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.818 -6.598 -4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.989 -7.898 -3.925 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.265 -5.341 -1.413 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.071 -4.539 -1.172 1.00 0.00 C ATOM 1161 C VAL A 71 -0.895 -5.038 -2.004 1.00 0.00 C ATOM 1162 O VAL A 71 -0.560 -6.223 -1.977 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.675 -4.554 0.316 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.560 -3.556 0.583 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -2.885 -4.263 1.192 1.00 0.00 C ATOM 0 H VAL A 71 -3.168 -6.326 -1.166 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.313 -3.518 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.305 -5.549 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.294 -3.581 1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.312 -3.816 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.897 -2.554 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.587 -4.278 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.287 -3.281 0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.649 -5.022 1.021 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.273 -4.128 -2.744 1.00 0.00 N ATOM 1176 CA ASP A 72 0.868 -4.475 -3.585 1.00 0.00 C ATOM 1177 C ASP A 72 1.815 -3.289 -3.732 1.00 0.00 C ATOM 1178 O ASP A 72 1.381 -2.154 -3.929 1.00 0.00 O ATOM 1179 CB ASP A 72 0.391 -4.937 -4.962 1.00 0.00 C ATOM 1180 CG ASP A 72 0.049 -6.413 -4.992 1.00 0.00 C ATOM 1181 OD1 ASP A 72 -1.063 -6.774 -4.553 1.00 0.00 O ATOM 1182 OD2 ASP A 72 0.893 -7.209 -5.455 1.00 0.00 O ATOM 0 H ASP A 72 -0.539 -3.144 -2.779 1.00 0.00 H new ATOM 0 HA ASP A 72 1.408 -5.290 -3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.486 -4.358 -5.252 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.167 -4.732 -5.700 1.00 0.00 H new ATOM 1187 N TYR A 73 3.113 -3.558 -3.633 1.00 0.00 N ATOM 1188 CA TYR A 73 4.122 -2.513 -3.751 1.00 0.00 C ATOM 1189 C TYR A 73 3.688 -1.449 -4.754 1.00 0.00 C ATOM 1190 O TYR A 73 3.180 -1.763 -5.831 1.00 0.00 O ATOM 1191 CB TYR A 73 5.461 -3.115 -4.177 1.00 0.00 C ATOM 1192 CG TYR A 73 5.974 -4.180 -3.234 1.00 0.00 C ATOM 1193 CD1 TYR A 73 6.134 -3.917 -1.879 1.00 0.00 C ATOM 1194 CD2 TYR A 73 6.299 -5.449 -3.697 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.603 -4.886 -1.013 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.766 -6.425 -2.839 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.916 -6.139 -1.498 1.00 0.00 C ATOM 1198 OH TYR A 73 7.383 -7.108 -0.640 1.00 0.00 O ATOM 0 H TYR A 73 3.490 -4.492 -3.471 1.00 0.00 H new ATOM 0 HA TYR A 73 4.237 -2.041 -2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.356 -3.544 -5.174 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.201 -2.318 -4.249 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.887 -2.938 -1.496 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.184 -5.676 -4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.724 -4.664 0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.012 -7.407 -3.216 1.00 0.00 H new ATOM 0 HH TYR A 73 7.555 -7.933 -1.140 1.00 0.00 H new ATOM 1208 N SER A 74 3.894 -0.186 -4.393 1.00 0.00 N ATOM 1209 CA SER A 74 3.523 0.927 -5.259 1.00 0.00 C ATOM 1210 C SER A 74 4.712 1.384 -6.098 1.00 0.00 C ATOM 1211 O SER A 74 4.934 2.580 -6.283 1.00 0.00 O ATOM 1212 CB SER A 74 2.994 2.095 -4.425 1.00 0.00 C ATOM 1213 OG SER A 74 2.640 3.192 -5.249 1.00 0.00 O ATOM 0 H SER A 74 4.316 0.092 -3.507 1.00 0.00 H new ATOM 0 HA SER A 74 2.737 0.584 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.125 1.772 -3.851 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.753 2.406 -3.707 1.00 0.00 H new ATOM 0 HG SER A 74 3.349 3.349 -5.907 1.00 0.00 H new ATOM 1219 N VAL A 75 5.475 0.421 -6.605 1.00 0.00 N ATOM 1220 CA VAL A 75 6.641 0.720 -7.426 1.00 0.00 C ATOM 1221 C VAL A 75 6.246 0.947 -8.880 1.00 0.00 C ATOM 1222 O VAL A 75 6.943 0.515 -9.798 1.00 0.00 O ATOM 1223 CB VAL A 75 7.682 -0.412 -7.359 1.00 0.00 C ATOM 1224 CG1 VAL A 75 8.202 -0.576 -5.938 1.00 0.00 C ATOM 1225 CG2 VAL A 75 7.087 -1.714 -7.871 1.00 0.00 C ATOM 0 H VAL A 75 5.306 -0.574 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 75 7.083 1.633 -7.026 1.00 0.00 H new ATOM 0 HB VAL A 75 8.523 -0.147 -8.000 1.00 0.00 H new ATOM 0 HG11 VAL A 75 8.937 -1.381 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.669 0.353 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.373 -0.818 -5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.837 -2.503 -7.816 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.228 -1.987 -7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.769 -1.587 -8.906 1.00 0.00 H new ATOM 1235 N SER A 76 5.123 1.628 -9.085 1.00 0.00 N ATOM 1236 CA SER A 76 4.632 1.909 -10.429 1.00 0.00 C ATOM 1237 C SER A 76 5.768 2.370 -11.336 1.00 0.00 C ATOM 1238 O SER A 76 6.044 1.755 -12.368 1.00 0.00 O ATOM 1239 CB SER A 76 3.538 2.977 -10.382 1.00 0.00 C ATOM 1240 OG SER A 76 3.076 3.291 -11.684 1.00 0.00 O ATOM 0 H SER A 76 4.536 1.996 -8.337 1.00 0.00 H new ATOM 0 HA SER A 76 4.214 0.988 -10.837 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.706 2.623 -9.773 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.924 3.877 -9.903 1.00 0.00 H new ATOM 0 HG SER A 76 2.376 3.975 -11.627 1.00 0.00 H new ATOM 1246 N LYS A 77 6.427 3.456 -10.946 1.00 0.00 N ATOM 1247 CA LYS A 77 7.534 4.001 -11.721 1.00 0.00 C ATOM 1248 C LYS A 77 8.874 3.539 -11.156 1.00 0.00 C ATOM 1249 O LYS A 77 9.248 3.907 -10.042 1.00 0.00 O ATOM 1250 CB LYS A 77 7.473 5.530 -11.733 1.00 0.00 C ATOM 1251 CG LYS A 77 6.129 6.081 -12.175 1.00 0.00 C ATOM 1252 CD LYS A 77 5.993 6.072 -13.689 1.00 0.00 C ATOM 1253 CE LYS A 77 5.367 4.778 -14.184 1.00 0.00 C ATOM 1254 NZ LYS A 77 3.883 4.875 -14.263 1.00 0.00 N ATOM 0 H LYS A 77 6.212 3.977 -10.096 1.00 0.00 H new ATOM 0 HA LYS A 77 7.444 3.633 -12.743 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.698 5.902 -10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.249 5.911 -12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.328 5.488 -11.733 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.013 7.099 -11.804 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.382 6.917 -14.006 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.975 6.200 -14.144 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.768 4.534 -15.168 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.643 3.962 -13.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.552 4.424 -15.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.460 4.393 -13.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.600 5.876 -14.260 1.00 0.00 H new ATOM 1268 N LYS A 78 9.592 2.733 -11.930 1.00 0.00 N ATOM 1269 CA LYS A 78 10.891 2.223 -11.507 1.00 0.00 C ATOM 1270 C LYS A 78 11.974 2.587 -12.519 1.00 0.00 C ATOM 1271 O LYS A 78 12.267 1.817 -13.433 1.00 0.00 O ATOM 1272 CB LYS A 78 10.833 0.704 -11.331 1.00 0.00 C ATOM 1273 CG LYS A 78 10.382 0.269 -9.948 1.00 0.00 C ATOM 1274 CD LYS A 78 10.366 -1.244 -9.817 1.00 0.00 C ATOM 1275 CE LYS A 78 11.775 -1.809 -9.706 1.00 0.00 C ATOM 1276 NZ LYS A 78 11.852 -3.209 -10.207 1.00 0.00 N ATOM 0 H LYS A 78 9.296 2.419 -12.854 1.00 0.00 H new ATOM 0 HA LYS A 78 11.141 2.684 -10.551 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.153 0.286 -12.074 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.819 0.286 -11.531 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.048 0.693 -9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.385 0.663 -9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.789 -1.528 -8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.865 -1.680 -10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.463 -1.182 -10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.098 -1.777 -8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.827 -3.558 -10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.214 -3.813 -9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.568 -3.236 -11.207 1.00 0.00 H new ATOM 1290 N LEU A 79 12.565 3.765 -12.348 1.00 0.00 N ATOM 1291 CA LEU A 79 13.617 4.231 -13.245 1.00 0.00 C ATOM 1292 C LEU A 79 14.329 5.446 -12.663 1.00 0.00 C ATOM 1293 O LEU A 79 13.722 6.261 -11.968 1.00 0.00 O ATOM 1294 CB LEU A 79 13.029 4.576 -14.615 1.00 0.00 C ATOM 1295 CG LEU A 79 13.949 5.342 -15.565 1.00 0.00 C ATOM 1296 CD1 LEU A 79 14.831 4.380 -16.346 1.00 0.00 C ATOM 1297 CD2 LEU A 79 13.135 6.211 -16.513 1.00 0.00 C ATOM 0 H LEU A 79 12.333 4.415 -11.596 1.00 0.00 H new ATOM 0 HA LEU A 79 14.345 3.428 -13.361 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.727 3.649 -15.102 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.125 5.166 -14.462 1.00 0.00 H new ATOM 0 HG LEU A 79 14.592 5.992 -14.971 1.00 0.00 H new ATOM 0 HD11 LEU A 79 15.479 4.944 -17.017 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.442 3.802 -15.653 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.205 3.704 -16.929 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.807 6.749 -17.182 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.466 5.581 -17.100 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.548 6.926 -15.937 1.00 0.00 H new ATOM 1309 N ARG A 80 15.621 5.564 -12.954 1.00 0.00 N ATOM 1310 CA ARG A 80 16.417 6.682 -12.460 1.00 0.00 C ATOM 1311 C ARG A 80 17.530 7.032 -13.443 1.00 0.00 C ATOM 1312 O ARG A 80 18.316 6.172 -13.840 1.00 0.00 O ATOM 1313 CB ARG A 80 17.017 6.343 -11.094 1.00 0.00 C ATOM 1314 CG ARG A 80 17.631 7.540 -10.386 1.00 0.00 C ATOM 1315 CD ARG A 80 19.083 7.741 -10.790 1.00 0.00 C ATOM 1316 NE ARG A 80 19.953 6.703 -10.244 1.00 0.00 N ATOM 1317 CZ ARG A 80 20.363 6.678 -8.981 1.00 0.00 C ATOM 1318 NH1 ARG A 80 19.985 7.629 -8.138 1.00 0.00 N ATOM 1319 NH2 ARG A 80 21.153 5.700 -8.557 1.00 0.00 N ATOM 0 H ARG A 80 16.139 4.899 -13.529 1.00 0.00 H new ATOM 0 HA ARG A 80 15.761 7.546 -12.357 1.00 0.00 H new ATOM 0 HB2 ARG A 80 16.239 5.916 -10.461 1.00 0.00 H new ATOM 0 HB3 ARG A 80 17.781 5.576 -11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 80 17.059 8.437 -10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 80 17.569 7.397 -9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 80 19.160 7.743 -11.877 1.00 0.00 H new ATOM 0 HD3 ARG A 80 19.423 8.717 -10.445 1.00 0.00 H new ATOM 0 HE ARG A 80 20.263 5.957 -10.866 1.00 0.00 H new ATOM 0 HH11 ARG A 80 19.377 8.383 -8.459 1.00 0.00 H new ATOM 0 HH12 ARG A 80 20.302 7.607 -7.169 1.00 0.00 H new ATOM 0 HH21 ARG A 80 21.446 4.966 -9.201 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.467 5.682 -7.587 1.00 0.00 H new ATOM 1333 N SER A 81 17.591 8.302 -13.832 1.00 0.00 N ATOM 1334 CA SER A 81 18.604 8.766 -14.772 1.00 0.00 C ATOM 1335 C SER A 81 18.687 10.289 -14.773 1.00 0.00 C ATOM 1336 O SER A 81 17.698 10.975 -15.033 1.00 0.00 O ATOM 1337 CB SER A 81 18.293 8.260 -16.181 1.00 0.00 C ATOM 1338 OG SER A 81 17.152 8.908 -16.716 1.00 0.00 O ATOM 0 H SER A 81 16.950 9.028 -13.510 1.00 0.00 H new ATOM 0 HA SER A 81 19.568 8.367 -14.455 1.00 0.00 H new ATOM 0 HB2 SER A 81 19.151 8.433 -16.830 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.125 7.183 -16.155 1.00 0.00 H new ATOM 0 HG SER A 81 16.982 9.735 -16.218 1.00 0.00 H new ATOM 1344 N SER A 82 19.873 10.812 -14.480 1.00 0.00 N ATOM 1345 CA SER A 82 20.085 12.254 -14.443 1.00 0.00 C ATOM 1346 C SER A 82 19.696 12.894 -15.771 1.00 0.00 C ATOM 1347 O SER A 82 19.854 12.294 -16.834 1.00 0.00 O ATOM 1348 CB SER A 82 21.548 12.567 -14.123 1.00 0.00 C ATOM 1349 OG SER A 82 21.799 13.960 -14.193 1.00 0.00 O ATOM 0 H SER A 82 20.702 10.258 -14.265 1.00 0.00 H new ATOM 0 HA SER A 82 19.451 12.670 -13.659 1.00 0.00 H new ATOM 0 HB2 SER A 82 21.792 12.200 -13.126 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.197 12.042 -14.824 1.00 0.00 H new ATOM 0 HG SER A 82 22.740 14.134 -13.983 1.00 0.00 H new ATOM 1355 N GLY A 83 19.184 14.120 -15.703 1.00 0.00 N ATOM 1356 CA GLY A 83 18.779 14.823 -16.907 1.00 0.00 C ATOM 1357 C GLY A 83 19.726 14.581 -18.066 1.00 0.00 C ATOM 1358 O GLY A 83 20.937 14.448 -17.889 1.00 0.00 O ATOM 0 H GLY A 83 19.043 14.638 -14.836 1.00 0.00 H new ATOM 0 HA2 GLY A 83 17.775 14.505 -17.189 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.728 15.892 -16.700 1.00 0.00 H new ATOM 1362 N PRO A 84 19.171 14.521 -19.285 1.00 0.00 N ATOM 1363 CA PRO A 84 19.956 14.292 -20.502 1.00 0.00 C ATOM 1364 C PRO A 84 20.839 15.484 -20.855 1.00 0.00 C ATOM 1365 O PRO A 84 21.716 15.387 -21.713 1.00 0.00 O ATOM 1366 CB PRO A 84 18.889 14.079 -21.578 1.00 0.00 C ATOM 1367 CG PRO A 84 17.688 14.799 -21.068 1.00 0.00 C ATOM 1368 CD PRO A 84 17.735 14.672 -19.571 1.00 0.00 C ATOM 0 HA PRO A 84 20.643 13.453 -20.392 1.00 0.00 H new ATOM 0 HB2 PRO A 84 19.211 14.478 -22.540 1.00 0.00 H new ATOM 0 HB3 PRO A 84 18.682 13.019 -21.726 1.00 0.00 H new ATOM 0 HG2 PRO A 84 17.702 15.846 -21.372 1.00 0.00 H new ATOM 0 HG3 PRO A 84 16.772 14.363 -21.468 1.00 0.00 H new ATOM 0 HD2 PRO A 84 17.318 15.551 -19.080 1.00 0.00 H new ATOM 0 HD3 PRO A 84 17.164 13.812 -19.223 1.00 0.00 H new ATOM 1376 N SER A 85 20.601 16.609 -20.188 1.00 0.00 N ATOM 1377 CA SER A 85 21.372 17.822 -20.435 1.00 0.00 C ATOM 1378 C SER A 85 21.417 18.144 -21.925 1.00 0.00 C ATOM 1379 O SER A 85 22.423 18.637 -22.435 1.00 0.00 O ATOM 1380 CB SER A 85 22.794 17.667 -19.892 1.00 0.00 C ATOM 1381 OG SER A 85 23.360 18.927 -19.575 1.00 0.00 O ATOM 0 H SER A 85 19.880 16.706 -19.473 1.00 0.00 H new ATOM 0 HA SER A 85 20.881 18.646 -19.918 1.00 0.00 H new ATOM 0 HB2 SER A 85 22.780 17.037 -19.003 1.00 0.00 H new ATOM 0 HB3 SER A 85 23.416 17.161 -20.631 1.00 0.00 H new ATOM 0 HG SER A 85 24.268 18.800 -19.229 1.00 0.00 H new ATOM 1387 N SER A 86 20.319 17.861 -22.618 1.00 0.00 N ATOM 1388 CA SER A 86 20.233 18.116 -24.052 1.00 0.00 C ATOM 1389 C SER A 86 18.956 18.877 -24.392 1.00 0.00 C ATOM 1390 O SER A 86 17.858 18.471 -24.013 1.00 0.00 O ATOM 1391 CB SER A 86 20.279 16.800 -24.829 1.00 0.00 C ATOM 1392 OG SER A 86 21.481 16.096 -24.570 1.00 0.00 O ATOM 0 H SER A 86 19.477 17.455 -22.210 1.00 0.00 H new ATOM 0 HA SER A 86 21.088 18.729 -24.339 1.00 0.00 H new ATOM 0 HB2 SER A 86 19.425 16.181 -24.553 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.195 17.002 -25.897 1.00 0.00 H new ATOM 0 HG SER A 86 21.532 15.876 -23.616 1.00 0.00 H new ATOM 1398 N GLY A 87 19.107 19.985 -25.112 1.00 0.00 N ATOM 1399 CA GLY A 87 17.959 20.786 -25.492 1.00 0.00 C ATOM 1400 C GLY A 87 18.339 21.967 -26.364 1.00 0.00 C ATOM 1401 O GLY A 87 17.521 22.460 -27.141 1.00 0.00 O ATOM 0 H GLY A 87 20.005 20.342 -25.439 1.00 0.00 H new ATOM 0 HA2 GLY A 87 17.243 20.160 -26.025 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.459 21.148 -24.594 1.00 0.00 H new TER 1405 GLY A 87